NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
630747 | 5yam | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 HT1 MET 1 3.470 2.998 -14.589 2 HA MET 1 HA MET 1 3.569 3.216 -11.653 3 HB2 MET 1 HB2 MET 1 5.122 1.387 -13.500 4 HB3 MET 1 HB1 MET 1 5.427 1.592 -11.782 5 HG2 MET 1 HG2 MET 1 3.181 0.723 -11.300 6 HG3 MET 1 HG1 MET 1 2.925 0.477 -13.024 7 HE1 MET 1 HE1 MET 1 6.041 -1.821 -10.503 8 HE2 MET 1 HE2 MET 1 4.932 -0.619 -9.846 9 HE3 MET 1 HE3 MET 1 6.231 -0.121 -10.929 10 H SER 2 HN SER 2 5.553 4.117 -10.902 11 HA SER 2 HA SER 2 7.269 5.363 -12.885 12 HB2 SER 2 HB2 SER 2 5.855 6.964 -10.736 13 HB3 SER 2 HB1 SER 2 7.058 7.586 -11.865 14 HG SER 2 HG SER 2 5.174 6.368 -13.281 15 HA PRO 3 HA PRO 3 9.981 3.764 -9.590 16 HB2 PRO 3 HB2 PRO 3 12.296 4.342 -10.985 17 HB3 PRO 3 HB1 PRO 3 11.386 2.838 -11.157 18 HG2 PRO 3 HG2 PRO 3 11.372 5.271 -12.887 19 HG3 PRO 3 HG1 PRO 3 11.307 3.562 -13.352 20 HD2 PRO 3 HD2 PRO 3 9.123 5.130 -13.352 21 HD3 PRO 3 HD1 PRO 3 9.039 3.405 -12.934 22 H TYR 4 HN TYR 4 10.045 6.779 -11.300 23 HA TYR 4 HA TYR 4 11.144 8.113 -8.924 24 HB2 TYR 4 HB2 TYR 4 11.318 9.007 -11.818 25 HB3 TYR 4 HB1 TYR 4 11.929 9.905 -10.434 26 HD1 TYR 4 HD1 TYR 4 12.555 7.210 -12.775 27 HD2 TYR 4 HD2 TYR 4 13.886 9.037 -9.175 28 HE1 TYR 4 HE1 TYR 4 14.709 6.051 -12.991 29 HE2 TYR 4 HE2 TYR 4 16.046 7.883 -9.380 30 HH TYR 4 HH TYR 4 16.958 5.888 -10.452 31 H GLY 5 HN GLY 5 9.328 8.721 -7.891 32 HA2 GLY 5 HA2 GLY 5 7.195 9.951 -9.508 33 HA3 GLY 5 HA1 GLY 5 6.948 9.159 -7.959 34 H SER 6 HN SER 6 6.153 10.708 -6.729 35 HA SER 6 HA SER 6 6.035 12.527 -5.405 36 HB2 SER 6 HB2 SER 6 8.926 13.054 -6.140 37 HB3 SER 6 HB1 SER 6 8.054 13.698 -4.748 38 HG SER 6 HG SER 6 9.214 11.234 -5.128 39 H ASP 7 HN ASP 7 4.543 13.305 -6.942 40 HA ASP 7 HA ASP 7 5.525 15.643 -8.414 41 HB2 ASP 7 HB2 ASP 7 4.129 15.145 -10.284 42 HB3 ASP 7 HB1 ASP 7 5.031 13.680 -9.917 43 H THR 8 HN THR 8 3.358 16.789 -9.268 44 HA THR 8 HA THR 8 2.329 18.259 -7.233 45 HB THR 8 HB THR 8 0.359 18.651 -8.850 46 HG1 THR 8 HG1 THR 8 1.301 16.486 -9.911 47 HG21 THR 8 HG21 THR 8 3.219 19.122 -9.709 48 HG22 THR 8 HG22 THR 8 2.261 20.161 -8.646 49 HG23 THR 8 HG23 THR 8 1.809 19.970 -10.342 50 H THR 9 HN THR 9 1.034 17.876 -5.592 51 HA THR 9 HA THR 9 -0.731 15.553 -5.693 52 HB THR 9 HB THR 9 0.027 17.238 -3.299 53 HG1 THR 9 HG1 THR 9 1.864 16.224 -4.270 54 HG21 THR 9 HG21 THR 9 -2.007 15.870 -3.051 55 HG22 THR 9 HG22 THR 9 -0.702 15.285 -2.020 56 HG23 THR 9 HG23 THR 9 -1.091 14.437 -3.517 57 HA PRO 10 HA PRO 10 -4.044 18.595 -6.090 58 HB2 PRO 10 HB2 PRO 10 -6.050 16.718 -6.159 59 HB3 PRO 10 HB1 PRO 10 -5.151 17.255 -7.581 60 HG2 PRO 10 HG2 PRO 10 -4.880 14.761 -5.987 61 HG3 PRO 10 HG1 PRO 10 -4.624 15.020 -7.720 62 HD2 PRO 10 HD2 PRO 10 -2.609 14.780 -5.866 63 HD3 PRO 10 HD1 PRO 10 -2.440 15.619 -7.420 64 H CYS 11 HN CYS 11 -4.169 19.534 -4.144 65 HA CYS 11 HA CYS 11 -5.374 17.977 -1.965 66 HB2 CYS 11 HB2 CYS 11 -2.820 18.353 -1.809 67 HB3 CYS 11 HB1 CYS 11 -3.226 20.033 -1.485 68 H CYS 12 HN CYS 12 -6.024 19.632 -0.143 69 HA CYS 12 HA CYS 12 -6.709 22.251 -0.872 70 HB2 CYS 12 HB2 CYS 12 -8.079 20.743 -2.467 71 HB3 CYS 12 HB1 CYS 12 -9.069 20.420 -1.053 72 H PHE 13 HN PHE 13 -7.857 23.317 0.761 73 HA PHE 13 HA PHE 13 -8.998 21.787 2.938 74 HB2 PHE 13 HB2 PHE 13 -6.652 22.036 3.634 75 HB3 PHE 13 HB1 PHE 13 -6.762 23.780 3.417 76 HD1 PHE 13 HD1 PHE 13 -8.216 20.960 5.353 77 HD2 PHE 13 HD2 PHE 13 -7.401 25.133 5.210 78 HE1 PHE 13 HE1 PHE 13 -8.942 21.177 7.692 79 HE2 PHE 13 HE2 PHE 13 -8.128 25.357 7.550 80 HZ PHE 13 HZ PHE 13 -8.898 23.378 8.794 81 H ALA 14 HN ALA 14 -10.904 22.688 2.061 82 HA ALA 14 HA ALA 14 -11.436 25.345 3.094 83 HB1 ALA 14 HB1 ALA 14 -10.728 25.746 0.786 84 HB2 ALA 14 HB2 ALA 14 -12.439 26.112 1.005 85 HB3 ALA 14 HB3 ALA 14 -11.952 24.613 0.212 86 H TYR 15 HN TYR 15 -13.894 25.803 2.422 87 HA TYR 15 HA TYR 15 -15.605 23.552 2.297 88 HB2 TYR 15 HB2 TYR 15 -16.650 23.897 4.558 89 HB3 TYR 15 HB1 TYR 15 -15.032 23.209 4.601 90 HD1 TYR 15 HD1 TYR 15 -16.881 26.425 4.995 91 HD2 TYR 15 HD2 TYR 15 -13.358 24.207 5.890 92 HE1 TYR 15 HE1 TYR 15 -16.168 28.189 6.566 93 HE2 TYR 15 HE2 TYR 15 -12.637 25.961 7.452 94 HH TYR 15 HH TYR 15 -12.999 28.278 7.901 95 H LEU 16 HN LEU 16 -17.861 24.203 2.355 96 HA LEU 16 HA LEU 16 -18.411 27.035 2.320 97 HB2 LEU 16 HB2 LEU 16 -18.141 25.421 -0.084 98 HB3 LEU 16 HB1 LEU 16 -19.713 26.177 0.055 99 HG LEU 16 HG LEU 16 -17.359 27.905 0.519 100 HD11 LEU 16 HD11 LEU 16 -18.206 26.991 -2.240 101 HD12 LEU 16 HD12 LEU 16 -16.672 26.608 -1.460 102 HD13 LEU 16 HD13 LEU 16 -17.044 28.274 -1.899 103 HD21 LEU 16 HD21 LEU 16 -19.649 28.747 0.697 104 HD22 LEU 16 HD22 LEU 16 -19.947 28.286 -0.978 105 HD23 LEU 16 HD23 LEU 16 -18.766 29.541 -0.605 106 H SER 17 HN SER 17 -20.182 27.352 3.336 107 HA SER 17 HA SER 17 -21.937 25.168 3.992 108 HB2 SER 17 HB2 SER 17 -22.103 28.117 4.640 109 HB3 SER 17 HB1 SER 17 -23.142 26.868 5.333 110 HG SER 17 HG SER 17 -20.878 27.672 6.290 111 H LEU 18 HN LEU 18 -21.862 27.859 1.808 112 HA LEU 18 HA LEU 18 -24.607 27.369 0.956 113 HB2 LEU 18 HB2 LEU 18 -22.594 29.464 0.112 114 HB3 LEU 18 HB1 LEU 18 -24.181 29.302 -0.604 115 HG LEU 18 HG LEU 18 -24.377 31.080 0.904 116 HD11 LEU 18 HD11 LEU 18 -25.384 28.668 2.390 117 HD12 LEU 18 HD12 LEU 18 -26.214 29.491 1.072 118 HD13 LEU 18 HD13 LEU 18 -25.933 30.330 2.597 119 HD21 LEU 18 HD21 LEU 18 -22.302 30.788 2.128 120 HD22 LEU 18 HD22 LEU 18 -22.974 29.395 2.975 121 HD23 LEU 18 HD23 LEU 18 -23.648 31.002 3.248 122 H ALA 19 HN ALA 19 -23.280 25.188 0.538 123 HA ALA 19 HA ALA 19 -21.775 24.962 -1.826 124 HB1 ALA 19 HB1 ALA 19 -21.722 23.292 -0.038 125 HB2 ALA 19 HB2 ALA 19 -22.126 22.559 -1.591 126 HB3 ALA 19 HB3 ALA 19 -23.392 22.853 -0.398 127 H LEU 20 HN LEU 20 -22.353 23.992 -3.809 128 HA LEU 20 HA LEU 20 -24.792 24.943 -4.890 129 HB2 LEU 20 HB2 LEU 20 -24.013 23.613 -6.939 130 HB3 LEU 20 HB1 LEU 20 -23.016 24.947 -6.406 131 HG LEU 20 HG LEU 20 -21.596 23.165 -5.200 132 HD11 LEU 20 HD11 LEU 20 -23.158 21.308 -5.370 133 HD12 LEU 20 HD12 LEU 20 -21.635 20.936 -6.178 134 HD13 LEU 20 HD13 LEU 20 -23.054 21.370 -7.130 135 HD21 LEU 20 HD21 LEU 20 -20.318 22.711 -7.236 136 HD22 LEU 20 HD22 LEU 20 -20.837 24.395 -7.148 137 HD23 LEU 20 HD23 LEU 20 -21.680 23.267 -8.209 138 HA PRO 21 HA PRO 21 -27.602 21.671 -4.082 139 HB2 PRO 21 HB2 PRO 21 -28.932 21.518 -6.496 140 HB3 PRO 21 HB1 PRO 21 -29.268 22.711 -5.239 141 HG2 PRO 21 HG2 PRO 21 -27.614 22.980 -7.712 142 HG3 PRO 21 HG1 PRO 21 -28.747 24.135 -6.986 143 HD2 PRO 21 HD2 PRO 21 -26.101 24.410 -6.702 144 HD3 PRO 21 HD1 PRO 21 -27.217 24.816 -5.381 145 H ARG 22 HN ARG 22 -28.190 19.513 -4.648 146 HA ARG 22 HA ARG 22 -26.010 17.934 -5.443 147 HB2 ARG 22 HB2 ARG 22 -28.911 17.131 -5.250 148 HB3 ARG 22 HB1 ARG 22 -27.535 16.038 -5.261 149 HG2 ARG 22 HG2 ARG 22 -26.762 16.927 -3.153 150 HG3 ARG 22 HG1 ARG 22 -28.059 18.122 -3.155 151 HD2 ARG 22 HD2 ARG 22 -28.351 15.131 -3.005 152 HD3 ARG 22 HD1 ARG 22 -28.632 16.284 -1.705 153 HE ARG 22 HE ARG 22 -30.247 16.331 -4.167 154 HH11 ARG 22 HH11 ARG 22 -30.031 16.210 -0.658 155 HH12 ARG 22 HH12 ARG 22 -31.742 16.269 -0.429 156 HH21 ARG 22 HH21 ARG 22 -32.515 16.393 -3.852 157 HH22 ARG 22 HH22 ARG 22 -33.156 16.377 -2.248 158 H ALA 23 HN ALA 23 -28.579 19.339 -7.263 159 HA ALA 23 HA ALA 23 -28.370 17.640 -9.546 160 HB1 ALA 23 HB1 ALA 23 -30.387 18.947 -9.094 161 HB2 ALA 23 HB2 ALA 23 -29.721 19.328 -10.682 162 HB3 ALA 23 HB3 ALA 23 -29.478 20.439 -9.335 163 H HIS 24 HN HIS 24 -26.432 20.159 -8.314 164 HA HIS 24 HA HIS 24 -25.298 20.846 -10.902 165 HB2 HIS 24 HB2 HIS 24 -25.074 21.943 -8.134 166 HB3 HIS 24 HB1 HIS 24 -23.780 22.263 -9.279 167 HD1 HIS 24 HD1 HIS 24 -24.171 24.703 -9.760 168 HD2 HIS 24 HD2 HIS 24 -27.638 22.432 -10.101 169 HE1 HIS 24 HE1 HIS 24 -25.908 26.266 -10.663 170 H VAL 25 HN VAL 25 -24.731 18.715 -8.283 171 HA VAL 25 HA VAL 25 -21.941 18.382 -9.080 172 HB VAL 25 HB VAL 25 -22.582 18.703 -6.618 173 HG11 VAL 25 HG11 VAL 25 -23.319 16.796 -5.365 174 HG12 VAL 25 HG12 VAL 25 -23.334 15.801 -6.814 175 HG13 VAL 25 HG13 VAL 25 -24.493 17.125 -6.645 176 HG21 VAL 25 HG21 VAL 25 -20.876 17.137 -5.836 177 HG22 VAL 25 HG22 VAL 25 -20.375 17.963 -7.312 178 HG23 VAL 25 HG23 VAL 25 -20.941 16.293 -7.382 179 H LYS 26 HN LYS 26 -21.109 16.238 -9.463 180 HA LYS 26 HA LYS 26 -23.182 14.431 -10.508 181 HB2 LYS 26 HB2 LYS 26 -21.590 15.417 -12.179 182 HB3 LYS 26 HB1 LYS 26 -20.282 14.609 -11.338 183 HG2 LYS 26 HG2 LYS 26 -21.024 12.478 -11.981 184 HG3 LYS 26 HG1 LYS 26 -22.613 13.083 -12.454 185 HD2 LYS 26 HD2 LYS 26 -21.346 12.642 -14.448 186 HD3 LYS 26 HD1 LYS 26 -21.511 14.386 -14.269 187 HE2 LYS 26 HE2 LYS 26 -19.271 14.000 -14.910 188 HE3 LYS 26 HE1 LYS 26 -19.223 14.362 -13.187 189 HZ1 LYS 26 HZ1 LYS 26 -19.257 11.599 -14.264 190 HZ2 LYS 26 HZ2 LYS 26 -18.875 12.073 -12.679 191 HZ3 LYS 26 HZ3 LYS 26 -17.838 12.446 -13.951 192 H GLU 27 HN GLU 27 -20.187 14.639 -8.663 193 HA GLU 27 HA GLU 27 -20.856 12.325 -7.148 194 HB2 GLU 27 HB2 GLU 27 -18.955 10.942 -7.819 195 HB3 GLU 27 HB1 GLU 27 -20.035 11.238 -9.174 196 HG2 GLU 27 HG2 GLU 27 -18.494 13.062 -9.886 197 HG3 GLU 27 HG1 GLU 27 -17.371 12.499 -8.645 198 H TYR 28 HN TYR 28 -18.767 11.676 -5.834 199 HA TYR 28 HA TYR 28 -17.325 14.120 -5.088 200 HB2 TYR 28 HB2 TYR 28 -17.554 13.594 -2.741 201 HB3 TYR 28 HB1 TYR 28 -19.161 13.597 -3.460 202 HD1 TYR 28 HD1 TYR 28 -16.708 11.675 -1.638 203 HD2 TYR 28 HD2 TYR 28 -20.257 11.371 -3.961 204 HE1 TYR 28 HE1 TYR 28 -17.105 9.426 -0.725 205 HE2 TYR 28 HE2 TYR 28 -20.666 9.123 -3.054 206 HH TYR 28 HH TYR 28 -19.378 7.283 -2.049 207 H PHE 29 HN PHE 29 -15.360 13.514 -3.682 208 HA PHE 29 HA PHE 29 -14.244 10.903 -4.051 209 HB2 PHE 29 HB2 PHE 29 -14.015 12.102 -6.330 210 HB3 PHE 29 HB1 PHE 29 -12.851 13.146 -5.527 211 HD1 PHE 29 HD1 PHE 29 -13.558 9.507 -5.947 212 HD2 PHE 29 HD2 PHE 29 -10.633 12.587 -5.725 213 HE1 PHE 29 HE1 PHE 29 -11.796 7.860 -6.416 214 HE2 PHE 29 HE2 PHE 29 -8.862 10.944 -6.190 215 HZ PHE 29 HZ PHE 29 -9.443 8.577 -6.537 216 H TYR 30 HN TYR 30 -11.849 11.002 -3.268 217 HA TYR 30 HA TYR 30 -11.739 13.008 -1.125 218 HB2 TYR 30 HB2 TYR 30 -10.724 10.170 -1.176 219 HB3 TYR 30 HB1 TYR 30 -10.291 11.328 0.076 220 HD1 TYR 30 HD1 TYR 30 -12.851 9.091 -1.180 221 HD2 TYR 30 HD2 TYR 30 -12.042 12.208 1.598 222 HE1 TYR 30 HE1 TYR 30 -14.895 8.510 0.059 223 HE2 TYR 30 HE2 TYR 30 -14.080 11.636 2.845 224 HH TYR 30 HH TYR 30 -15.778 8.758 2.345 225 H THR 31 HN THR 31 -9.699 13.822 -0.503 226 HA THR 31 HA THR 31 -8.021 14.476 -2.672 227 HB THR 31 HB THR 31 -6.492 15.386 -0.815 228 HG1 THR 31 HG1 THR 31 -7.032 14.981 1.182 229 HG21 THR 31 HG21 THR 31 -9.366 16.317 -0.893 230 HG22 THR 31 HG22 THR 31 -8.120 16.755 -2.062 231 HG23 THR 31 HG23 THR 31 -7.972 17.271 -0.383 232 H SER 32 HN SER 32 -5.593 14.153 -2.601 233 HA SER 32 HA SER 32 -5.092 11.376 -2.762 234 HB2 SER 32 HB2 SER 32 -3.184 13.715 -2.881 235 HB3 SER 32 HB1 SER 32 -2.782 12.055 -3.323 236 HG SER 32 HG SER 32 -5.057 13.029 -4.534 237 H SER 33 HN SER 33 -3.419 10.182 -1.645 238 HA SER 33 HA SER 33 -3.730 10.354 1.162 239 HB2 SER 33 HB2 SER 33 -1.727 8.700 -0.384 240 HB3 SER 33 HB1 SER 33 -2.328 8.393 1.247 241 HG SER 33 HG SER 33 -4.452 8.595 -0.272 242 H LYS 34 HN LYS 34 -1.478 11.736 -1.021 243 HA LYS 34 HA LYS 34 0.642 12.092 0.878 244 HB2 LYS 34 HB2 LYS 34 0.133 13.299 -1.839 245 HB3 LYS 34 HB1 LYS 34 1.548 13.681 -0.868 246 HG2 LYS 34 HG2 LYS 34 0.811 10.914 -1.803 247 HG3 LYS 34 HG1 LYS 34 1.969 11.975 -2.606 248 HD2 LYS 34 HD2 LYS 34 3.329 12.018 -0.558 249 HD3 LYS 34 HD1 LYS 34 2.179 10.930 0.220 250 HE2 LYS 34 HE2 LYS 34 2.651 9.230 -1.475 251 HE3 LYS 34 HE1 LYS 34 3.804 10.315 -2.246 252 HZ1 LYS 34 HZ1 LYS 34 5.130 10.281 -0.222 253 HZ2 LYS 34 HZ2 LYS 34 4.917 8.716 -0.814 254 HZ3 LYS 34 HZ3 LYS 34 4.020 9.243 0.516 255 H CYS 35 HN CYS 35 -2.333 13.591 0.416 256 HA CYS 35 HA CYS 35 -1.621 16.240 1.172 257 HB2 CYS 35 HB2 CYS 35 -4.265 14.784 1.200 258 HB3 CYS 35 HB1 CYS 35 -4.078 16.492 1.579 259 H SER 36 HN SER 36 -1.589 17.174 3.156 260 HA SER 36 HA SER 36 -1.383 15.413 5.417 261 HB2 SER 36 HB2 SER 36 -1.238 18.430 5.300 262 HB3 SER 36 HB1 SER 36 -0.725 17.411 6.646 263 HG SER 36 HG SER 36 0.532 16.433 4.610 264 H ASN 37 HN ASN 37 -3.969 16.712 3.887 265 HA ASN 37 HA ASN 37 -5.636 16.429 6.257 266 HB2 ASN 37 HB2 ASN 37 -5.238 18.842 6.103 267 HB3 ASN 37 HB1 ASN 37 -5.754 18.834 4.421 268 HD21 ASN 37 HD21 ASN 37 -7.928 18.726 3.935 269 HD22 ASN 37 HD22 ASN 37 -9.168 18.906 5.131 270 H LEU 38 HN LEU 38 -7.332 15.184 5.813 271 HA LEU 38 HA LEU 38 -7.815 14.392 3.093 272 HB2 LEU 38 HB2 LEU 38 -7.891 12.771 4.948 273 HB3 LEU 38 HB1 LEU 38 -9.261 13.628 5.628 274 HG LEU 38 HG LEU 38 -10.552 13.095 3.560 275 HD11 LEU 38 HD11 LEU 38 -8.151 11.384 2.939 276 HD12 LEU 38 HD12 LEU 38 -8.733 12.764 2.007 277 HD13 LEU 38 HD13 LEU 38 -9.705 11.297 2.113 278 HD21 LEU 38 HD21 LEU 38 -10.802 11.765 5.577 279 HD22 LEU 38 HD22 LEU 38 -9.450 10.744 5.087 280 HD23 LEU 38 HD23 LEU 38 -10.937 10.755 4.138 281 H ALA 39 HN ALA 39 -9.177 15.320 1.787 282 HA ALA 39 HA ALA 39 -11.482 16.759 2.892 283 HB1 ALA 39 HB1 ALA 39 -9.796 18.425 2.320 284 HB2 ALA 39 HB2 ALA 39 -11.163 18.529 1.209 285 HB3 ALA 39 HB3 ALA 39 -9.664 17.752 0.696 286 H VAL 40 HN VAL 40 -13.126 17.176 1.142 287 HA VAL 40 HA VAL 40 -13.221 14.824 -0.604 288 HB VAL 40 HB VAL 40 -15.574 16.435 0.387 289 HG11 VAL 40 HG11 VAL 40 -16.890 14.509 -0.357 290 HG12 VAL 40 HG12 VAL 40 -15.417 13.751 -0.964 291 HG13 VAL 40 HG13 VAL 40 -15.998 15.251 -1.685 292 HG21 VAL 40 HG21 VAL 40 -14.373 15.333 2.239 293 HG22 VAL 40 HG22 VAL 40 -14.559 13.787 1.413 294 HG23 VAL 40 HG23 VAL 40 -15.982 14.663 1.986 295 H VAL 41 HN VAL 41 -13.409 15.094 -2.681 296 HA VAL 41 HA VAL 41 -13.551 17.833 -3.721 297 HB VAL 41 HB VAL 41 -12.394 15.362 -5.031 298 HG11 VAL 41 HG11 VAL 41 -12.322 18.253 -5.870 299 HG12 VAL 41 HG12 VAL 41 -13.243 16.963 -6.643 300 HG13 VAL 41 HG13 VAL 41 -11.480 16.928 -6.674 301 HG21 VAL 41 HG21 VAL 41 -10.207 16.401 -4.634 302 HG22 VAL 41 HG22 VAL 41 -11.048 16.056 -3.123 303 HG23 VAL 41 HG23 VAL 41 -10.994 17.706 -3.744 304 H PHE 42 HN PHE 42 -15.440 18.325 -4.567 305 HA PHE 42 HA PHE 42 -17.193 16.196 -5.509 306 HB2 PHE 42 HB2 PHE 42 -17.676 19.106 -4.910 307 HB3 PHE 42 HB1 PHE 42 -18.892 18.058 -5.628 308 HD1 PHE 42 HD1 PHE 42 -17.126 18.982 -2.612 309 HD2 PHE 42 HD2 PHE 42 -19.816 16.183 -4.343 310 HE1 PHE 42 HE1 PHE 42 -17.779 18.219 -0.364 311 HE2 PHE 42 HE2 PHE 42 -20.481 15.421 -2.105 312 HZ PHE 42 HZ PHE 42 -19.470 16.436 -0.114 313 H VAL 43 HN VAL 43 -17.563 15.810 -7.545 314 HA VAL 43 HA VAL 43 -16.359 17.578 -9.538 315 HB VAL 43 HB VAL 43 -17.466 14.778 -9.863 316 HG11 VAL 43 HG11 VAL 43 -16.300 14.787 -12.006 317 HG12 VAL 43 HG12 VAL 43 -15.805 16.460 -11.731 318 HG13 VAL 43 HG13 VAL 43 -17.515 16.064 -11.929 319 HG21 VAL 43 HG21 VAL 43 -15.118 14.060 -9.976 320 HG22 VAL 43 HG22 VAL 43 -15.516 14.768 -8.411 321 HG23 VAL 43 HG23 VAL 43 -14.607 15.705 -9.597 322 H THR 44 HN THR 44 -17.676 19.030 -10.382 323 HA THR 44 HA THR 44 -20.513 18.864 -10.107 324 HB THR 44 HB THR 44 -20.564 20.987 -11.361 325 HG1 THR 44 HG1 THR 44 -17.740 20.867 -11.422 326 HG21 THR 44 HG21 THR 44 -20.116 21.019 -8.943 327 HG22 THR 44 HG22 THR 44 -19.266 22.323 -9.778 328 HG23 THR 44 HG23 THR 44 -18.387 20.880 -9.273 329 H ARG 45 HN ARG 45 -21.851 19.531 -12.136 330 HA ARG 45 HA ARG 45 -21.662 17.379 -14.019 331 HB2 ARG 45 HB2 ARG 45 -23.456 19.811 -14.083 332 HB3 ARG 45 HB1 ARG 45 -23.673 18.341 -15.017 333 HG2 ARG 45 HG2 ARG 45 -23.808 18.531 -12.014 334 HG3 ARG 45 HG1 ARG 45 -25.194 18.472 -13.101 335 HD2 ARG 45 HD2 ARG 45 -23.089 16.335 -12.847 336 HD3 ARG 45 HD1 ARG 45 -24.672 16.289 -12.078 337 HE ARG 45 HE ARG 45 -24.232 16.258 -14.998 338 HH11 ARG 45 HH11 ARG 45 -26.076 15.316 -12.150 339 HH12 ARG 45 HH12 ARG 45 -27.184 14.335 -13.036 340 HH21 ARG 45 HH21 ARG 45 -25.711 14.935 -16.168 341 HH22 ARG 45 HH22 ARG 45 -26.976 14.116 -15.321 342 H ARG 46 HN ARG 46 -20.003 20.170 -13.797 343 HA ARG 46 HA ARG 46 -19.771 20.509 -16.711 344 HB2 ARG 46 HB2 ARG 46 -20.489 22.514 -15.370 345 HB3 ARG 46 HB1 ARG 46 -18.945 22.449 -14.535 346 HG2 ARG 46 HG2 ARG 46 -17.790 22.816 -16.671 347 HG3 ARG 46 HG1 ARG 46 -19.353 22.924 -17.482 348 HD2 ARG 46 HD2 ARG 46 -19.936 24.871 -16.182 349 HD3 ARG 46 HD1 ARG 46 -18.449 24.726 -15.242 350 HE ARG 46 HE ARG 46 -17.628 24.903 -17.845 351 HH11 ARG 46 HH11 ARG 46 -19.590 26.909 -15.740 352 HH12 ARG 46 HH12 ARG 46 -19.091 28.389 -16.485 353 HH21 ARG 46 HH21 ARG 46 -16.986 26.865 -18.835 354 HH22 ARG 46 HH22 ARG 46 -17.622 28.365 -18.254 355 H ASN 47 HN ASN 47 -18.497 18.645 -14.612 356 HA ASN 47 HA ASN 47 -16.534 17.570 -14.290 357 HB2 ASN 47 HB2 ASN 47 -15.679 19.100 -16.750 358 HB3 ASN 47 HB1 ASN 47 -14.712 17.839 -15.993 359 HD21 ASN 47 HD21 ASN 47 -17.431 18.570 -17.961 360 HD22 ASN 47 HD22 ASN 47 -17.823 16.948 -18.401 361 H ARG 48 HN ARG 48 -17.048 20.425 -13.319 362 HA ARG 48 HA ARG 48 -14.302 21.271 -12.781 363 HB2 ARG 48 HB2 ARG 48 -15.928 23.026 -13.358 364 HB3 ARG 48 HB1 ARG 48 -16.950 22.531 -12.016 365 HG2 ARG 48 HG2 ARG 48 -14.837 23.026 -10.576 366 HG3 ARG 48 HG1 ARG 48 -14.344 23.984 -11.972 367 HD2 ARG 48 HD2 ARG 48 -16.950 24.288 -10.489 368 HD3 ARG 48 HD1 ARG 48 -15.532 25.304 -10.253 369 HE ARG 48 HE ARG 48 -15.855 25.756 -12.771 370 HH11 ARG 48 HH11 ARG 48 -18.433 25.277 -10.445 371 HH12 ARG 48 HH12 ARG 48 -19.557 26.288 -11.277 372 HH21 ARG 48 HH21 ARG 48 -17.323 27.129 -13.861 373 HH22 ARG 48 HH22 ARG 48 -18.913 27.372 -13.217 374 H GLN 49 HN GLN 49 -13.309 20.794 -10.905 375 HA GLN 49 HA GLN 49 -14.898 19.345 -8.940 376 HB2 GLN 49 HB2 GLN 49 -11.915 19.717 -8.752 377 HB3 GLN 49 HB1 GLN 49 -12.936 18.463 -8.081 378 HG2 GLN 49 HG2 GLN 49 -13.347 17.583 -10.322 379 HG3 GLN 49 HG1 GLN 49 -12.260 18.808 -10.981 380 HE21 GLN 49 HE21 GLN 49 -10.617 18.591 -8.501 381 HE22 GLN 49 HE22 GLN 49 -9.652 17.170 -8.757 382 H VAL 50 HN VAL 50 -14.635 19.794 -6.702 383 HA VAL 50 HA VAL 50 -13.633 22.402 -5.930 384 HB VAL 50 HB VAL 50 -16.032 22.712 -6.635 385 HG11 VAL 50 HG11 VAL 50 -17.806 21.809 -5.257 386 HG12 VAL 50 HG12 VAL 50 -16.607 20.894 -4.334 387 HG13 VAL 50 HG13 VAL 50 -16.853 20.547 -6.046 388 HG21 VAL 50 HG21 VAL 50 -15.463 23.124 -3.706 389 HG22 VAL 50 HG22 VAL 50 -16.716 23.952 -4.634 390 HG23 VAL 50 HG23 VAL 50 -15.012 24.216 -5.015 391 H CYS 51 HN CYS 51 -13.339 22.486 -3.585 392 HA CYS 51 HA CYS 51 -13.447 19.777 -2.435 393 HB2 CYS 51 HB2 CYS 51 -11.573 21.950 -1.603 394 HB3 CYS 51 HB1 CYS 51 -11.513 20.242 -1.186 395 H ALA 52 HN ALA 52 -13.999 19.483 -0.360 396 HA ALA 52 HA ALA 52 -14.590 21.691 1.377 397 HB1 ALA 52 HB1 ALA 52 -16.789 19.806 0.525 398 HB2 ALA 52 HB2 ALA 52 -16.671 21.512 0.092 399 HB3 ALA 52 HB3 ALA 52 -16.911 21.044 1.776 400 H ASN 53 HN ASN 53 -14.235 21.101 3.431 401 HA ASN 53 HA ASN 53 -13.157 18.533 3.958 402 HB2 ASN 53 HB2 ASN 53 -13.771 20.924 5.664 403 HB3 ASN 53 HB1 ASN 53 -13.376 19.390 6.434 404 HD21 ASN 53 HD21 ASN 53 -12.171 21.998 4.442 405 HD22 ASN 53 HD22 ASN 53 -10.497 21.592 4.599 406 HA PRO 54 HA PRO 54 -16.786 16.153 4.547 407 HB2 PRO 54 HB2 PRO 54 -15.775 14.235 6.217 408 HB3 PRO 54 HB1 PRO 54 -15.473 14.282 4.476 409 HG2 PRO 54 HG2 PRO 54 -13.761 15.287 6.720 410 HG3 PRO 54 HG1 PRO 54 -13.287 14.333 5.298 411 HD2 PRO 54 HD2 PRO 54 -12.862 16.962 5.387 412 HD3 PRO 54 HD1 PRO 54 -13.390 16.181 3.882 413 H GLU 55 HN GLU 55 -15.304 17.805 7.111 414 HA GLU 55 HA GLU 55 -16.895 16.851 9.248 415 HB2 GLU 55 HB2 GLU 55 -15.425 19.462 8.934 416 HB3 GLU 55 HB1 GLU 55 -16.128 18.878 10.434 417 HG2 GLU 55 HG2 GLU 55 -14.647 16.877 10.248 418 HG3 GLU 55 HG1 GLU 55 -13.855 17.673 8.887 419 H LYS 56 HN LYS 56 -17.574 18.914 6.641 420 HA LYS 56 HA LYS 56 -19.671 20.346 8.019 421 HB2 LYS 56 HB2 LYS 56 -18.812 20.351 5.128 422 HB3 LYS 56 HB1 LYS 56 -20.131 21.330 5.757 423 HG2 LYS 56 HG2 LYS 56 -17.220 21.506 6.521 424 HG3 LYS 56 HG1 LYS 56 -18.148 22.676 5.577 425 HD2 LYS 56 HD2 LYS 56 -19.572 23.120 7.512 426 HD3 LYS 56 HD1 LYS 56 -18.682 21.923 8.450 427 HE2 LYS 56 HE2 LYS 56 -16.630 23.272 8.122 428 HE3 LYS 56 HE1 LYS 56 -17.614 24.502 7.332 429 HZ1 LYS 56 HZ1 LYS 56 -17.189 24.928 9.717 430 HZ2 LYS 56 HZ2 LYS 56 -18.078 23.547 10.102 431 HZ3 LYS 56 HZ3 LYS 56 -18.829 24.852 9.336 432 H LYS 57 HN LYS 57 -21.779 19.975 7.939 433 HA LYS 57 HA LYS 57 -22.722 17.389 7.532 434 HB2 LYS 57 HB2 LYS 57 -23.939 20.005 8.095 435 HB3 LYS 57 HB1 LYS 57 -25.005 18.810 7.372 436 HG2 LYS 57 HG2 LYS 57 -25.190 18.696 9.735 437 HG3 LYS 57 HG1 LYS 57 -24.393 17.244 9.119 438 HD2 LYS 57 HD2 LYS 57 -22.218 18.120 9.774 439 HD3 LYS 57 HD1 LYS 57 -22.965 19.620 10.325 440 HE2 LYS 57 HE2 LYS 57 -24.164 18.434 12.053 441 HE3 LYS 57 HE1 LYS 57 -23.557 16.891 11.456 442 HZ1 LYS 57 HZ1 LYS 57 -22.323 17.638 13.385 443 HZ2 LYS 57 HZ2 LYS 57 -21.899 19.076 12.606 444 HZ3 LYS 57 HZ3 LYS 57 -21.314 17.598 12.032 445 H TRP 58 HN TRP 58 -22.798 20.173 5.415 446 HA TRP 58 HA TRP 58 -24.586 19.179 3.544 447 HB2 TRP 58 HB2 TRP 58 -22.193 20.909 2.880 448 HB3 TRP 58 HB1 TRP 58 -23.736 20.852 2.038 449 HD1 TRP 58 HD1 TRP 58 -21.988 22.471 4.969 450 HE1 TRP 58 HE1 TRP 58 -23.531 24.235 6.021 451 HE3 TRP 58 HE3 TRP 58 -26.298 21.367 2.454 452 HZ2 TRP 58 HZ2 TRP 58 -26.224 25.057 5.808 453 HZ3 TRP 58 HZ3 TRP 58 -28.313 22.691 2.937 454 HH2 TRP 58 HH2 TRP 58 -28.276 24.496 4.579 455 H VAL 59 HN VAL 59 -21.153 18.785 3.963 456 HA VAL 59 HA VAL 59 -20.623 17.466 1.518 457 HB VAL 59 HB VAL 59 -19.072 17.330 4.118 458 HG11 VAL 59 HG11 VAL 59 -18.435 15.570 2.553 459 HG12 VAL 59 HG12 VAL 59 -17.153 16.773 2.708 460 HG13 VAL 59 HG13 VAL 59 -18.191 16.775 1.288 461 HG21 VAL 59 HG21 VAL 59 -17.716 19.140 3.225 462 HG22 VAL 59 HG22 VAL 59 -19.408 19.632 3.341 463 HG23 VAL 59 HG23 VAL 59 -18.722 19.196 1.778 464 H GLN 60 HN GLN 60 -21.413 16.407 4.765 465 HA GLN 60 HA GLN 60 -21.073 13.640 4.332 466 HB2 GLN 60 HB2 GLN 60 -22.832 15.114 6.297 467 HB3 GLN 60 HB1 GLN 60 -22.498 13.391 6.356 468 HG2 GLN 60 HG2 GLN 60 -20.349 15.480 6.501 469 HG3 GLN 60 HG1 GLN 60 -21.172 14.851 7.923 470 HE21 GLN 60 HE21 GLN 60 -18.885 14.207 5.423 471 HE22 GLN 60 HE22 GLN 60 -18.284 12.720 6.063 472 H GLU 61 HN GLU 61 -23.870 15.790 4.136 473 HA GLU 61 HA GLU 61 -25.729 13.763 3.492 474 HB2 GLU 61 HB2 GLU 61 -25.798 16.707 2.855 475 HB3 GLU 61 HB1 GLU 61 -27.168 15.608 2.744 476 HG2 GLU 61 HG2 GLU 61 -25.642 16.233 5.249 477 HG3 GLU 61 HG1 GLU 61 -27.181 16.946 4.789 478 H TYR 62 HN TYR 62 -23.749 15.908 1.524 479 HA TYR 62 HA TYR 62 -24.880 15.019 -0.929 480 HB2 TYR 62 HB2 TYR 62 -22.453 16.631 -0.238 481 HB3 TYR 62 HB1 TYR 62 -22.675 16.038 -1.882 482 HD1 TYR 62 HD1 TYR 62 -24.926 17.556 0.696 483 HD2 TYR 62 HD2 TYR 62 -23.483 17.667 -3.298 484 HE1 TYR 62 HE1 TYR 62 -26.418 19.444 0.224 485 HE2 TYR 62 HE2 TYR 62 -24.972 19.562 -3.784 486 HH TYR 62 HH TYR 62 -26.447 21.396 -1.465 487 H ILE 63 HN ILE 63 -22.109 14.016 0.976 488 HA ILE 63 HA ILE 63 -21.083 12.154 -0.881 489 HB ILE 63 HB ILE 63 -20.929 12.368 2.117 490 HG12 ILE 63 HG12 ILE 63 -18.822 12.472 -0.050 491 HG13 ILE 63 HG11 ILE 63 -19.552 13.869 0.735 492 HG21 ILE 63 HG21 ILE 63 -21.020 9.986 1.681 493 HG22 ILE 63 HG22 ILE 63 -19.392 10.456 2.177 494 HG23 ILE 63 HG23 ILE 63 -19.738 10.133 0.477 495 HD11 ILE 63 HD11 ILE 63 -18.586 13.214 2.851 496 HD12 ILE 63 HD12 ILE 63 -17.335 13.343 1.612 497 HD13 ILE 63 HD13 ILE 63 -17.917 11.758 2.115 498 H ASN 64 HN ASN 64 -23.373 11.815 1.780 499 HA ASN 64 HA ASN 64 -23.897 9.079 1.433 500 HB2 ASN 64 HB2 ASN 64 -24.836 9.502 3.422 501 HB3 ASN 64 HB1 ASN 64 -24.792 11.230 3.119 502 HD21 ASN 64 HD21 ASN 64 -26.603 12.227 2.214 503 HD22 ASN 64 HD22 ASN 64 -28.170 11.504 2.305 504 H TYR 65 HN TYR 65 -25.207 11.924 -0.085 505 HA TYR 65 HA TYR 65 -27.386 10.512 -1.337 506 HB2 TYR 65 HB2 TYR 65 -27.437 12.978 -0.763 507 HB3 TYR 65 HB1 TYR 65 -26.285 13.216 -2.072 508 HD1 TYR 65 HD1 TYR 65 -29.764 12.428 -1.252 509 HD2 TYR 65 HD2 TYR 65 -26.957 12.998 -4.400 510 HE1 TYR 65 HE1 TYR 65 -31.611 12.598 -2.867 511 HE2 TYR 65 HE2 TYR 65 -28.796 13.170 -6.017 512 HH TYR 65 HH TYR 65 -31.999 13.615 -5.110 513 H LEU 66 HN LEU 66 -24.179 11.631 -2.294 514 HA LEU 66 HA LEU 66 -24.599 10.858 -5.030 515 HB2 LEU 66 HB2 LEU 66 -22.147 11.795 -3.567 516 HB3 LEU 66 HB1 LEU 66 -22.168 11.411 -5.279 517 HG LEU 66 HG LEU 66 -23.836 13.545 -3.963 518 HD11 LEU 66 HD11 LEU 66 -22.296 15.114 -5.007 519 HD12 LEU 66 HD12 LEU 66 -21.321 13.773 -5.604 520 HD13 LEU 66 HD13 LEU 66 -21.457 14.061 -3.869 521 HD21 LEU 66 HD21 LEU 66 -24.812 12.571 -6.012 522 HD22 LEU 66 HD22 LEU 66 -23.329 12.961 -6.883 523 HD23 LEU 66 HD23 LEU 66 -24.335 14.251 -6.224 524 H GLU 67 HN GLU 67 -23.437 9.277 -2.194 525 HA GLU 67 HA GLU 67 -22.037 7.233 -3.616 526 HB2 GLU 67 HB2 GLU 67 -21.933 6.049 -1.508 527 HB3 GLU 67 HB1 GLU 67 -21.602 7.753 -1.224 528 HG2 GLU 67 HG2 GLU 67 -23.855 8.075 -0.406 529 HG3 GLU 67 HG1 GLU 67 -24.223 6.379 -0.720 530 H MET 68 HN MET 68 -25.306 7.896 -2.834 531 HA MET 68 HA MET 68 -26.140 5.239 -3.745 532 HB2 MET 68 HB2 MET 68 -28.355 5.785 -2.870 533 HB3 MET 68 HB1 MET 68 -27.132 5.956 -1.621 534 HG2 MET 68 HG2 MET 68 -27.178 8.375 -1.876 535 HG3 MET 68 HG1 MET 68 -28.327 8.220 -3.207 536 HE1 MET 68 HE1 MET 68 -29.292 7.160 1.184 537 HE2 MET 68 HE2 MET 68 -27.739 7.797 0.644 538 HE3 MET 68 HE3 MET 68 -28.238 6.173 0.173 539 H SER 69 HN SER 69 -25.748 8.361 -4.795 540 HA SER 69 HA SER 69 -26.952 7.754 -7.327 541 HB2 SER 69 HB2 SER 69 -28.086 9.776 -5.453 542 HB3 SER 69 HB1 SER 69 -28.363 9.894 -7.201 543 HG SER 69 HG SER 69 -28.834 7.404 -6.145 544 H1 MET 1 HT1 MET 1 -16.298 30.008 -16.297 545 HA MET 1 HA MET 1 -13.876 30.816 -14.823 546 HB2 MET 1 HB2 MET 1 -16.572 32.170 -15.053 547 HB3 MET 1 HB1 MET 1 -15.271 32.669 -13.983 548 HG2 MET 1 HG2 MET 1 -13.863 33.129 -15.938 549 HG3 MET 1 HG1 MET 1 -15.197 32.665 -16.991 550 HE1 MET 1 HE1 MET 1 -15.432 34.698 -13.591 551 HE2 MET 1 HE2 MET 1 -15.233 36.340 -14.201 552 HE3 MET 1 HE3 MET 1 -13.904 35.187 -14.321 553 H SER 2 HN SER 2 -13.915 30.374 -12.657 554 HA SER 2 HA SER 2 -16.214 28.815 -11.702 555 HB2 SER 2 HB2 SER 2 -13.327 28.622 -10.809 556 HB3 SER 2 HB1 SER 2 -14.663 27.617 -10.248 557 HG SER 2 HG SER 2 -13.791 27.779 -12.948 558 HA PRO 3 HA PRO 3 -16.605 32.520 -9.086 559 HB2 PRO 3 HB2 PRO 3 -18.890 30.916 -8.072 560 HB3 PRO 3 HB1 PRO 3 -18.864 32.579 -8.665 561 HG2 PRO 3 HG2 PRO 3 -19.925 30.629 -10.137 562 HG3 PRO 3 HG1 PRO 3 -18.981 31.930 -10.886 563 HD2 PRO 3 HD2 PRO 3 -18.175 29.113 -10.278 564 HD3 PRO 3 HD1 PRO 3 -17.816 30.108 -11.706 565 H TYR 4 HN TYR 4 -16.762 29.157 -8.138 566 HA TYR 4 HA TYR 4 -15.961 29.812 -5.406 567 HB2 TYR 4 HB2 TYR 4 -16.685 27.106 -6.559 568 HB3 TYR 4 HB1 TYR 4 -16.524 27.524 -4.857 569 HD1 TYR 4 HD1 TYR 4 -18.716 27.484 -7.733 570 HD2 TYR 4 HD2 TYR 4 -18.230 29.034 -3.799 571 HE1 TYR 4 HE1 TYR 4 -21.110 28.029 -7.660 572 HE2 TYR 4 HE2 TYR 4 -20.628 29.581 -3.715 573 HH TYR 4 HH TYR 4 -22.467 30.024 -5.259 574 H GLY 5 HN GLY 5 -13.839 30.038 -5.184 575 HA2 GLY 5 HA2 GLY 5 -12.037 28.544 -6.963 576 HA3 GLY 5 HA1 GLY 5 -11.610 29.966 -6.022 577 H SER 6 HN SER 6 -13.419 27.638 -4.381 578 HA SER 6 HA SER 6 -11.103 26.890 -2.781 579 HB2 SER 6 HB2 SER 6 -14.029 26.260 -2.332 580 HB3 SER 6 HB1 SER 6 -12.721 26.155 -1.151 581 HG SER 6 HG SER 6 -12.814 28.615 -2.255 582 H ASP 7 HN ASP 7 -10.761 25.810 -5.112 583 HA ASP 7 HA ASP 7 -11.916 23.124 -5.018 584 HB2 ASP 7 HB2 ASP 7 -11.757 23.003 -7.365 585 HB3 ASP 7 HB1 ASP 7 -12.483 24.557 -6.982 586 H THR 8 HN THR 8 -10.471 21.635 -6.454 587 HA THR 8 HA THR 8 -8.375 20.822 -4.873 588 HB THR 8 HB THR 8 -8.136 20.037 -7.670 589 HG1 THR 8 HG1 THR 8 -10.609 19.686 -6.256 590 HG21 THR 8 HG21 THR 8 -7.232 18.711 -5.840 591 HG22 THR 8 HG22 THR 8 -8.503 17.820 -6.691 592 HG23 THR 8 HG23 THR 8 -8.847 18.572 -5.136 593 H THR 9 HN THR 9 -6.442 21.669 -4.564 594 HA THR 9 HA THR 9 -5.252 23.292 -6.702 595 HB THR 9 HB THR 9 -4.754 23.471 -3.726 596 HG1 THR 9 HG1 THR 9 -6.930 24.135 -4.707 597 HG21 THR 9 HG21 THR 9 -2.886 24.273 -5.097 598 HG22 THR 9 HG22 THR 9 -3.698 25.619 -4.298 599 HG23 THR 9 HG23 THR 9 -3.988 25.306 -6.008 600 HA PRO 10 HA PRO 10 -2.056 20.145 -6.659 601 HB2 PRO 10 HB2 PRO 10 -0.429 21.339 -8.482 602 HB3 PRO 10 HB1 PRO 10 -1.878 20.430 -8.935 603 HG2 PRO 10 HG2 PRO 10 -1.455 23.373 -8.747 604 HG3 PRO 10 HG1 PRO 10 -2.417 22.449 -9.912 605 HD2 PRO 10 HD2 PRO 10 -3.472 23.811 -7.777 606 HD3 PRO 10 HD1 PRO 10 -4.246 22.411 -8.544 607 H CYS 11 HN CYS 11 -0.812 20.108 -4.911 608 HA CYS 11 HA CYS 11 1.199 22.226 -4.562 609 HB2 CYS 11 HB2 CYS 11 -0.710 22.467 -2.919 610 HB3 CYS 11 HB1 CYS 11 -0.286 20.881 -2.287 611 H CYS 12 HN CYS 12 3.160 21.420 -3.388 612 HA CYS 12 HA CYS 12 3.423 18.649 -2.887 613 HB2 CYS 12 HB2 CYS 12 3.224 18.630 -5.354 614 HB3 CYS 12 HB1 CYS 12 4.676 19.618 -5.449 615 H PHE 13 HN PHE 13 5.437 18.042 -2.147 616 HA PHE 13 HA PHE 13 7.602 19.989 -2.046 617 HB2 PHE 13 HB2 PHE 13 6.358 20.366 0.043 618 HB3 PHE 13 HB1 PHE 13 6.420 18.645 0.406 619 HD1 PHE 13 HD1 PHE 13 8.316 21.770 0.290 620 HD2 PHE 13 HD2 PHE 13 8.455 17.629 1.247 621 HE1 PHE 13 HE1 PHE 13 10.422 22.125 1.508 622 HE2 PHE 13 HE2 PHE 13 10.564 17.977 2.465 623 HZ PHE 13 HZ PHE 13 11.548 20.228 2.598 624 H ALA 14 HN ALA 14 9.034 18.804 -3.173 625 HA ALA 14 HA ALA 14 9.932 16.324 -1.995 626 HB1 ALA 14 HB1 ALA 14 8.174 15.594 -3.540 627 HB2 ALA 14 HB2 ALA 14 9.769 15.054 -4.067 628 HB3 ALA 14 HB3 ALA 14 8.994 16.426 -4.861 629 H TYR 15 HN TYR 15 11.818 15.484 -3.435 630 HA TYR 15 HA TYR 15 13.241 17.385 -4.982 631 HB2 TYR 15 HB2 TYR 15 15.135 17.750 -3.477 632 HB3 TYR 15 HB1 TYR 15 13.658 18.352 -2.735 633 HD1 TYR 15 HD1 TYR 15 16.231 15.725 -2.620 634 HD2 TYR 15 HD2 TYR 15 12.779 17.331 -0.721 635 HE1 TYR 15 HE1 TYR 15 16.706 14.372 -0.631 636 HE2 TYR 15 HE2 TYR 15 13.246 15.977 1.278 637 HH TYR 15 HH TYR 15 14.448 13.935 1.879 638 H LEU 16 HN LEU 16 15.238 16.480 -5.777 639 HA LEU 16 HA LEU 16 15.846 13.755 -5.039 640 HB2 LEU 16 HB2 LEU 16 14.121 14.215 -7.170 641 HB3 LEU 16 HB1 LEU 16 15.682 13.978 -7.929 642 HG LEU 16 HG LEU 16 14.456 12.036 -5.979 643 HD11 LEU 16 HD11 LEU 16 14.508 11.919 -8.993 644 HD12 LEU 16 HD12 LEU 16 13.082 12.213 -7.997 645 HD13 LEU 16 HD13 LEU 16 13.909 10.660 -7.914 646 HD21 LEU 16 HD21 LEU 16 16.882 11.907 -6.117 647 HD22 LEU 16 HD22 LEU 16 16.788 11.773 -7.873 648 HD23 LEU 16 HD23 LEU 16 16.137 10.489 -6.854 649 H SER 17 HN SER 17 17.914 13.589 -4.910 650 HA SER 17 HA SER 17 19.653 15.650 -5.775 651 HB2 SER 17 HB2 SER 17 20.276 12.887 -4.740 652 HB3 SER 17 HB1 SER 17 21.415 14.235 -4.835 653 HG SER 17 HG SER 17 20.628 14.214 -2.777 654 H LEU 18 HN LEU 18 18.635 12.605 -7.106 655 HA LEU 18 HA LEU 18 20.507 12.956 -9.334 656 HB2 LEU 18 HB2 LEU 18 18.937 10.515 -8.473 657 HB3 LEU 18 HB1 LEU 18 19.854 10.605 -9.959 658 HG LEU 18 HG LEU 18 21.194 9.391 -8.464 659 HD11 LEU 18 HD11 LEU 18 22.212 12.220 -8.384 660 HD12 LEU 18 HD12 LEU 18 22.437 11.070 -9.701 661 HD13 LEU 18 HD13 LEU 18 23.168 10.762 -8.126 662 HD21 LEU 18 HD21 LEU 18 20.024 9.907 -6.394 663 HD22 LEU 18 HD22 LEU 18 20.713 11.530 -6.393 664 HD23 LEU 18 HD23 LEU 18 21.763 10.127 -6.199 665 H ALA 19 HN ALA 19 19.391 14.529 -10.414 666 HA ALA 19 HA ALA 19 16.591 14.217 -11.013 667 HB1 ALA 19 HB1 ALA 19 17.536 16.437 -10.582 668 HB2 ALA 19 HB2 ALA 19 16.819 16.340 -12.191 669 HB3 ALA 19 HB3 ALA 19 18.571 16.269 -12.000 670 H LEU 20 HN LEU 20 15.694 13.859 -13.025 671 HA LEU 20 HA LEU 20 17.068 12.112 -14.744 672 HB2 LEU 20 HB2 LEU 20 15.079 12.482 -16.274 673 HB3 LEU 20 HB1 LEU 20 14.720 11.873 -14.674 674 HG LEU 20 HG LEU 20 14.263 14.399 -14.121 675 HD11 LEU 20 HD11 LEU 20 15.057 15.313 -16.227 676 HD12 LEU 20 HD12 LEU 20 13.340 15.647 -16.002 677 HD13 LEU 20 HD13 LEU 20 13.853 14.371 -17.106 678 HD21 LEU 20 HD21 LEU 20 11.919 14.090 -14.754 679 HD22 LEU 20 HD22 LEU 20 12.598 12.636 -14.022 680 HD23 LEU 20 HD23 LEU 20 12.378 12.724 -15.770 681 HA PRO 21 HA PRO 21 19.588 14.629 -17.279 682 HB2 PRO 21 HB2 PRO 21 18.839 13.537 -19.772 683 HB3 PRO 21 HB1 PRO 21 20.190 13.026 -18.756 684 HG2 PRO 21 HG2 PRO 21 17.457 11.880 -18.998 685 HG3 PRO 21 HG1 PRO 21 18.997 11.060 -18.682 686 HD2 PRO 21 HD2 PRO 21 17.207 11.444 -16.738 687 HD3 PRO 21 HD1 PRO 21 18.949 11.592 -16.417 688 H ARG 22 HN ARG 22 19.500 16.480 -18.417 689 HA ARG 22 HA ARG 22 17.122 17.963 -18.482 690 HB2 ARG 22 HB2 ARG 22 19.651 18.518 -20.037 691 HB3 ARG 22 HB1 ARG 22 18.394 19.683 -19.655 692 HG2 ARG 22 HG2 ARG 22 18.892 19.417 -17.270 693 HG3 ARG 22 HG1 ARG 22 20.174 18.281 -17.677 694 HD2 ARG 22 HD2 ARG 22 20.027 21.189 -18.443 695 HD3 ARG 22 HD1 ARG 22 21.108 20.466 -17.254 696 HE ARG 22 HE ARG 22 21.345 19.363 -19.906 697 HH11 ARG 22 HH11 ARG 22 22.503 21.832 -17.685 698 HH12 ARG 22 HH12 ARG 22 23.969 22.101 -18.564 699 HH21 ARG 22 HH21 ARG 22 23.281 19.738 -21.053 700 HH22 ARG 22 HH22 ARG 22 24.408 20.917 -20.476 701 H ALA 23 HN ALA 23 18.524 15.866 -20.812 702 HA ALA 23 HA ALA 23 17.183 16.866 -23.109 703 HB1 ALA 23 HB1 ALA 23 17.826 14.775 -24.172 704 HB2 ALA 23 HB2 ALA 23 18.244 14.092 -22.603 705 HB3 ALA 23 HB3 ALA 23 19.176 15.441 -23.253 706 H HIS 24 HN HIS 24 16.186 14.899 -20.454 707 HA HIS 24 HA HIS 24 13.896 13.838 -21.886 708 HB2 HIS 24 HB2 HIS 24 15.109 13.343 -19.196 709 HB3 HIS 24 HB1 HIS 24 13.450 12.866 -19.514 710 HD1 HIS 24 HD1 HIS 24 13.185 10.583 -20.425 711 HD2 HIS 24 HD2 HIS 24 16.963 12.122 -21.205 712 HE1 HIS 24 HE1 HIS 24 14.463 8.702 -21.489 713 H VAL 25 HN VAL 25 14.694 16.530 -19.958 714 HA VAL 25 HA VAL 25 11.932 16.893 -19.120 715 HB VAL 25 HB VAL 25 13.941 17.370 -17.569 716 HG11 VAL 25 HG11 VAL 25 14.921 19.570 -17.670 717 HG12 VAL 25 HG12 VAL 25 13.970 19.958 -19.099 718 HG13 VAL 25 HG13 VAL 25 15.225 18.716 -19.188 719 HG21 VAL 25 HG21 VAL 25 12.767 19.220 -16.470 720 HG22 VAL 25 HG22 VAL 25 11.659 17.952 -16.994 721 HG23 VAL 25 HG23 VAL 25 11.787 19.448 -17.918 722 H LYS 26 HN LYS 26 10.708 18.731 -19.700 723 HA LYS 26 HA LYS 26 11.543 19.818 -22.292 724 HB2 LYS 26 HB2 LYS 26 9.445 18.587 -22.358 725 HB3 LYS 26 HB1 LYS 26 8.800 19.566 -21.053 726 HG2 LYS 26 HG2 LYS 26 8.765 21.517 -22.443 727 HG3 LYS 26 HG1 LYS 26 9.601 20.661 -23.738 728 HD2 LYS 26 HD2 LYS 26 7.166 20.883 -24.127 729 HD3 LYS 26 HD1 LYS 26 7.708 19.207 -24.064 730 HE2 LYS 26 HE2 LYS 26 6.845 18.932 -21.862 731 HE3 LYS 26 HE1 LYS 26 6.536 20.657 -21.699 732 HZ1 LYS 26 HZ1 LYS 26 5.178 18.861 -23.634 733 HZ2 LYS 26 HZ2 LYS 26 4.844 20.495 -23.388 734 HZ3 LYS 26 HZ3 LYS 26 4.513 19.377 -22.169 735 H GLU 27 HN GLU 27 10.031 20.718 -19.215 736 HA GLU 27 HA GLU 27 11.291 23.294 -19.303 737 HB2 GLU 27 HB2 GLU 27 9.180 24.580 -19.187 738 HB3 GLU 27 HB1 GLU 27 9.386 23.758 -20.728 739 HG2 GLU 27 HG2 GLU 27 7.894 21.955 -19.878 740 HG3 GLU 27 HG1 GLU 27 7.603 22.956 -18.455 741 H TYR 28 HN TYR 28 10.229 24.656 -17.398 742 HA TYR 28 HA TYR 28 9.828 22.859 -15.118 743 HB2 TYR 28 HB2 TYR 28 11.255 24.251 -13.726 744 HB3 TYR 28 HB1 TYR 28 12.161 23.725 -15.140 745 HD1 TYR 28 HD1 TYR 28 10.887 26.562 -13.276 746 HD2 TYR 28 HD2 TYR 28 12.619 25.370 -16.977 747 HE1 TYR 28 HE1 TYR 28 11.480 28.901 -13.746 748 HE2 TYR 28 HE2 TYR 28 13.218 27.709 -17.455 749 HH TYR 28 HH TYR 28 12.513 29.956 -16.813 750 H PHE 29 HN PHE 29 8.738 23.911 -13.282 751 HA PHE 29 HA PHE 29 7.152 26.272 -13.930 752 HB2 PHE 29 HB2 PHE 29 5.988 24.237 -14.914 753 HB3 PHE 29 HB1 PHE 29 5.844 23.609 -13.284 754 HD1 PHE 29 HD1 PHE 29 4.898 26.497 -15.418 755 HD2 PHE 29 HD2 PHE 29 3.983 24.144 -11.995 756 HE1 PHE 29 HE1 PHE 29 2.746 27.670 -15.189 757 HE2 PHE 29 HE2 PHE 29 1.835 25.317 -11.758 758 HZ PHE 29 HZ PHE 29 1.214 27.080 -13.358 759 H TYR 30 HN TYR 30 5.769 26.827 -11.929 760 HA TYR 30 HA TYR 30 7.176 25.878 -9.522 761 HB2 TYR 30 HB2 TYR 30 6.036 28.610 -10.107 762 HB3 TYR 30 HB1 TYR 30 6.601 28.101 -8.524 763 HD1 TYR 30 HD1 TYR 30 7.587 29.103 -11.889 764 HD2 TYR 30 HD2 TYR 30 8.986 27.782 -8.099 765 HE1 TYR 30 HE1 TYR 30 9.858 29.814 -12.490 766 HE2 TYR 30 HE2 TYR 30 11.266 28.489 -8.689 767 HH TYR 30 HH TYR 30 12.602 28.919 -10.695 768 H THR 31 HN THR 31 5.988 25.420 -7.700 769 HA THR 31 HA THR 31 3.408 24.406 -8.077 770 HB THR 31 HB THR 31 3.320 24.333 -5.536 771 HG1 THR 31 HG1 THR 31 4.840 25.313 -4.431 772 HG21 THR 31 HG21 THR 31 5.782 23.168 -6.851 773 HG22 THR 31 HG22 THR 31 4.163 22.471 -6.921 774 HG23 THR 31 HG23 THR 31 5.006 22.583 -5.377 775 H SER 32 HN SER 32 1.438 25.043 -6.893 776 HA SER 32 HA SER 32 0.584 27.588 -7.609 777 HB2 SER 32 HB2 SER 32 -0.615 25.849 -5.447 778 HB3 SER 32 HB1 SER 32 -1.443 27.063 -6.423 779 HG SER 32 HG SER 32 -0.797 24.460 -7.012 780 H SER 33 HN SER 33 0.055 29.440 -6.363 781 HA SER 33 HA SER 33 1.964 30.147 -4.400 782 HB2 SER 33 HB2 SER 33 0.502 32.194 -4.161 783 HB3 SER 33 HB1 SER 33 1.099 31.870 -5.790 784 HG SER 33 HG SER 33 -0.877 31.438 -6.444 785 H LYS 34 HN LYS 34 -1.130 28.676 -4.255 786 HA LYS 34 HA LYS 34 -1.883 29.313 -1.612 787 HB2 LYS 34 HB2 LYS 34 -2.521 26.840 -3.229 788 HB3 LYS 34 HB1 LYS 34 -3.355 27.340 -1.768 789 HG2 LYS 34 HG2 LYS 34 -3.293 28.907 -4.343 790 HG3 LYS 34 HG1 LYS 34 -4.609 27.852 -3.825 791 HD2 LYS 34 HD2 LYS 34 -4.885 29.265 -1.806 792 HD3 LYS 34 HD1 LYS 34 -3.636 30.346 -2.428 793 HE2 LYS 34 HE2 LYS 34 -5.016 30.740 -4.433 794 HE3 LYS 34 HE1 LYS 34 -6.273 29.710 -3.753 795 HZ1 LYS 34 HZ1 LYS 34 -6.718 32.065 -3.375 796 HZ2 LYS 34 HZ2 LYS 34 -5.262 32.220 -2.535 797 HZ3 LYS 34 HZ3 LYS 34 -6.492 31.255 -1.907 798 H CYS 35 HN CYS 35 0.490 27.226 -2.921 799 HA CYS 35 HA CYS 35 0.670 25.389 -0.755 800 HB2 CYS 35 HB2 CYS 35 2.754 26.113 -2.820 801 HB3 CYS 35 HB1 CYS 35 2.756 24.683 -1.794 802 H SER 36 HN SER 36 1.820 25.505 1.069 803 HA SER 36 HA SER 36 2.771 27.994 1.999 804 HB2 SER 36 HB2 SER 36 3.660 26.421 3.881 805 HB3 SER 36 HB1 SER 36 1.917 26.599 3.654 806 HG SER 36 HG SER 36 3.565 24.417 3.168 807 H ASN 37 HN ASN 37 4.221 25.396 0.301 808 HA ASN 37 HA ASN 37 6.864 26.633 0.632 809 HB2 ASN 37 HB2 ASN 37 6.950 24.495 1.721 810 HB3 ASN 37 HB1 ASN 37 6.158 23.707 0.359 811 HD21 ASN 37 HD21 ASN 37 7.342 23.243 -1.485 812 HD22 ASN 37 HD22 ASN 37 9.075 23.319 -1.517 813 H LEU 38 HN LEU 38 7.740 27.358 -1.189 814 HA LEU 38 HA LEU 38 6.419 26.838 -3.693 815 HB2 LEU 38 HB2 LEU 38 7.286 29.080 -3.124 816 HB3 LEU 38 HB1 LEU 38 8.914 28.433 -3.116 817 HG LEU 38 HG LEU 38 8.641 27.857 -5.526 818 HD11 LEU 38 HD11 LEU 38 6.070 29.392 -5.211 819 HD12 LEU 38 HD12 LEU 38 6.251 27.701 -5.681 820 HD13 LEU 38 HD13 LEU 38 6.815 28.982 -6.753 821 HD21 LEU 38 HD21 LEU 38 8.258 30.754 -4.794 822 HD22 LEU 38 HD22 LEU 38 8.877 30.150 -6.332 823 HD23 LEU 38 HD23 LEU 38 9.792 29.884 -4.847 824 H ALA 39 HN ALA 39 6.939 25.297 -5.046 825 HA ALA 39 HA ALA 39 9.646 24.173 -4.964 826 HB1 ALA 39 HB1 ALA 39 8.180 22.636 -3.764 827 HB2 ALA 39 HB2 ALA 39 8.691 21.922 -5.294 828 HB3 ALA 39 HB3 ALA 39 7.070 22.599 -5.132 829 H VAL 40 HN VAL 40 10.129 22.939 -6.987 830 HA VAL 40 HA VAL 40 8.911 24.343 -9.250 831 HB VAL 40 HB VAL 40 11.585 22.936 -9.196 832 HG11 VAL 40 HG11 VAL 40 12.012 24.158 -11.267 833 HG12 VAL 40 HG12 VAL 40 10.379 24.822 -11.203 834 HG13 VAL 40 HG13 VAL 40 10.617 23.088 -11.410 835 HG21 VAL 40 HG21 VAL 40 11.506 24.876 -7.662 836 HG22 VAL 40 HG22 VAL 40 11.031 25.892 -9.024 837 HG23 VAL 40 HG23 VAL 40 12.613 25.111 -9.012 838 H VAL 41 HN VAL 41 8.006 23.257 -10.812 839 HA VAL 41 HA VAL 41 7.837 20.343 -10.538 840 HB VAL 41 HB VAL 41 5.850 22.244 -11.795 841 HG11 VAL 41 HG11 VAL 41 5.661 19.294 -11.239 842 HG12 VAL 41 HG12 VAL 41 5.839 20.044 -12.827 843 HG13 VAL 41 HG13 VAL 41 4.377 20.320 -11.876 844 HG21 VAL 41 HG21 VAL 41 4.421 21.727 -9.873 845 HG22 VAL 41 HG22 VAL 41 5.918 22.518 -9.379 846 HG23 VAL 41 HG23 VAL 41 5.727 20.778 -9.163 847 H PHE 42 HN PHE 42 9.088 19.406 -11.991 848 HA PHE 42 HA PHE 42 9.688 20.767 -14.482 849 HB2 PHE 42 HB2 PHE 42 10.763 18.256 -13.224 850 HB3 PHE 42 HB1 PHE 42 11.211 18.779 -14.843 851 HD1 PHE 42 HD1 PHE 42 11.636 19.302 -11.300 852 HD2 PHE 42 HD2 PHE 42 12.440 20.889 -15.162 853 HE1 PHE 42 HE1 PHE 42 13.350 20.781 -10.335 854 HE2 PHE 42 HE2 PHE 42 14.162 22.359 -14.210 855 HZ PHE 42 HZ PHE 42 14.624 22.308 -11.801 856 H VAL 43 HN VAL 43 8.867 20.311 -16.363 857 HA VAL 43 HA VAL 43 6.984 18.076 -16.514 858 HB VAL 43 HB VAL 43 7.184 20.596 -18.188 859 HG11 VAL 43 HG11 VAL 43 5.144 19.840 -19.298 860 HG12 VAL 43 HG12 VAL 43 5.205 18.326 -18.392 861 HG13 VAL 43 HG13 VAL 43 6.471 18.710 -19.561 862 HG21 VAL 43 HG21 VAL 43 4.999 21.132 -17.202 863 HG22 VAL 43 HG22 VAL 43 6.250 20.973 -15.969 864 HG23 VAL 43 HG23 VAL 43 5.089 19.669 -16.221 865 H THR 44 HN THR 44 7.843 16.359 -17.396 866 HA THR 44 HA THR 44 10.219 16.425 -18.942 867 HB THR 44 HB THR 44 9.799 13.984 -19.279 868 HG1 THR 44 HG1 THR 44 7.617 14.242 -17.523 869 HG21 THR 44 HG21 THR 44 10.982 14.790 -17.282 870 HG22 THR 44 HG22 THR 44 10.000 13.367 -16.923 871 HG23 THR 44 HG23 THR 44 9.435 14.968 -16.450 872 H ARG 45 HN ARG 45 10.325 15.204 -21.093 873 HA ARG 45 HA ARG 45 8.751 16.559 -23.013 874 HB2 ARG 45 HB2 ARG 45 10.511 14.109 -23.244 875 HB3 ARG 45 HB1 ARG 45 9.746 14.875 -24.626 876 HG2 ARG 45 HG2 ARG 45 11.681 16.262 -22.780 877 HG3 ARG 45 HG1 ARG 45 12.133 15.482 -24.296 878 HD2 ARG 45 HD2 ARG 45 10.291 17.841 -23.924 879 HD3 ARG 45 HD1 ARG 45 11.870 17.832 -24.701 880 HE ARG 45 HE ARG 45 9.514 16.425 -25.783 881 HH11 ARG 45 HH11 ARG 45 12.390 18.377 -26.265 882 HH12 ARG 45 HH12 ARG 45 12.222 18.414 -27.986 883 HH21 ARG 45 HH21 ARG 45 9.296 16.481 -28.043 884 HH22 ARG 45 HH22 ARG 45 10.452 17.343 -29.003 885 H ARG 46 HN ARG 46 8.280 13.706 -21.205 886 HA ARG 46 HA ARG 46 6.235 12.600 -22.932 887 HB2 ARG 46 HB2 ARG 46 7.845 11.239 -21.522 888 HB3 ARG 46 HB1 ARG 46 6.968 11.801 -20.110 889 HG2 ARG 46 HG2 ARG 46 4.950 10.702 -20.905 890 HG3 ARG 46 HG1 ARG 46 5.799 10.176 -22.362 891 HD2 ARG 46 HD2 ARG 46 7.396 8.946 -20.939 892 HD3 ARG 46 HD1 ARG 46 6.458 9.412 -19.523 893 HE ARG 46 HE ARG 46 4.669 8.191 -21.196 894 HH11 ARG 46 HH11 ARG 46 7.709 7.284 -19.705 895 HH12 ARG 46 HH12 ARG 46 7.310 5.610 -19.579 896 HH21 ARG 46 HH21 ARG 46 4.130 5.947 -21.044 897 HH22 ARG 46 HH22 ARG 46 5.256 4.842 -20.346 898 H ASN 47 HN ASN 47 6.353 15.213 -21.081 899 HA ASN 47 HA ASN 47 4.886 16.628 -20.164 900 HB2 ASN 47 HB2 ASN 47 2.903 14.740 -21.410 901 HB3 ASN 47 HB1 ASN 47 2.381 16.118 -20.443 902 HD21 ASN 47 HD21 ASN 47 3.836 15.086 -23.399 903 HD22 ASN 47 HD22 ASN 47 3.818 16.624 -24.186 904 H ARG 48 HN ARG 48 5.903 14.177 -18.783 905 HA ARG 48 HA ARG 48 3.919 13.943 -16.658 906 HB2 ARG 48 HB2 ARG 48 5.010 11.866 -17.360 907 HB3 ARG 48 HB1 ARG 48 6.590 12.562 -17.028 908 HG2 ARG 48 HG2 ARG 48 6.074 12.670 -14.656 909 HG3 ARG 48 HG1 ARG 48 4.451 12.051 -14.964 910 HD2 ARG 48 HD2 ARG 48 7.002 10.574 -15.600 911 HD3 ARG 48 HD1 ARG 48 6.043 10.328 -14.140 912 HE ARG 48 HE ARG 48 4.302 9.992 -16.251 913 HH11 ARG 48 HH11 ARG 48 7.235 8.430 -15.099 914 HH12 ARG 48 HH12 ARG 48 6.837 6.896 -15.797 915 HH21 ARG 48 HH21 ARG 48 3.772 7.957 -17.144 916 HH22 ARG 48 HH22 ARG 48 4.862 6.626 -16.961 917 H GLN 49 HN GLN 49 3.989 15.220 -14.970 918 HA GLN 49 HA GLN 49 6.298 16.951 -14.650 919 HB2 GLN 49 HB2 GLN 49 4.735 18.069 -12.934 920 HB3 GLN 49 HB1 GLN 49 4.391 18.262 -14.641 921 HG2 GLN 49 HG2 GLN 49 2.717 16.478 -14.480 922 HG3 GLN 49 HG1 GLN 49 3.035 16.357 -12.748 923 HE21 GLN 49 HE21 GLN 49 3.431 19.207 -12.511 924 HE22 GLN 49 HE22 GLN 49 1.865 19.940 -12.570 925 H VAL 50 HN VAL 50 7.362 17.291 -12.733 926 HA VAL 50 HA VAL 50 7.003 15.335 -10.573 927 HB VAL 50 HB VAL 50 8.790 14.554 -12.177 928 HG11 VAL 50 HG11 VAL 50 10.918 15.729 -12.245 929 HG12 VAL 50 HG12 VAL 50 10.207 17.042 -11.300 930 HG13 VAL 50 HG13 VAL 50 9.589 16.681 -12.912 931 HG21 VAL 50 HG21 VAL 50 9.720 15.302 -9.407 932 HG22 VAL 50 HG22 VAL 50 10.498 14.111 -10.451 933 HG23 VAL 50 HG23 VAL 50 8.859 13.830 -9.860 934 H CYS 51 HN CYS 51 7.909 16.119 -8.527 935 HA CYS 51 HA CYS 51 8.198 19.045 -8.552 936 HB2 CYS 51 HB2 CYS 51 7.302 17.244 -6.315 937 HB3 CYS 51 HB1 CYS 51 7.453 18.995 -6.223 938 H ALA 52 HN ALA 52 9.950 19.978 -7.831 939 HA ALA 52 HA ALA 52 11.716 18.600 -5.980 940 HB1 ALA 52 HB1 ALA 52 12.673 19.714 -8.620 941 HB2 ALA 52 HB2 ALA 52 12.599 18.006 -8.185 942 HB3 ALA 52 HB3 ALA 52 13.702 19.087 -7.333 943 H ASN 53 HN ASN 53 12.577 19.986 -4.542 944 HA ASN 53 HA ASN 53 11.631 22.674 -4.546 945 HB2 ASN 53 HB2 ASN 53 13.244 21.014 -2.665 946 HB3 ASN 53 HB1 ASN 53 13.283 22.766 -2.480 947 HD21 ASN 53 HD21 ASN 53 11.268 19.910 -2.341 948 HD22 ASN 53 HD22 ASN 53 9.966 20.654 -1.479 949 HA PRO 54 HA PRO 54 14.731 24.652 -6.892 950 HB2 PRO 54 HB2 PRO 54 14.569 27.161 -5.843 951 HB3 PRO 54 HB1 PRO 54 13.363 26.485 -6.946 952 HG2 PRO 54 HG2 PRO 54 13.310 26.642 -3.953 953 HG3 PRO 54 HG1 PRO 54 12.022 27.031 -5.112 954 HD2 PRO 54 HD2 PRO 54 12.047 24.705 -3.797 955 HD3 PRO 54 HD1 PRO 54 11.528 24.794 -5.494 956 H GLU 55 HN GLU 55 15.039 24.350 -3.499 957 HA GLU 55 HA GLU 55 17.437 25.838 -3.215 958 HB2 GLU 55 HB2 GLU 55 16.342 23.661 -1.441 959 HB3 GLU 55 HB1 GLU 55 17.616 24.797 -1.015 960 HG2 GLU 55 HG2 GLU 55 15.557 26.431 -1.830 961 HG3 GLU 55 HG1 GLU 55 14.734 25.129 -0.975 962 H LYS 56 HN LYS 56 16.792 22.782 -4.543 963 HA LYS 56 HA LYS 56 19.419 21.685 -4.098 964 HB2 LYS 56 HB2 LYS 56 17.122 20.894 -5.890 965 HB3 LYS 56 HB1 LYS 56 18.665 20.057 -5.922 966 HG2 LYS 56 HG2 LYS 56 16.961 20.335 -3.456 967 HG3 LYS 56 HG1 LYS 56 16.890 18.956 -4.554 968 HD2 LYS 56 HD2 LYS 56 19.295 18.545 -4.142 969 HD3 LYS 56 HD1 LYS 56 19.303 19.880 -2.987 970 HE2 LYS 56 HE2 LYS 56 17.684 18.719 -1.599 971 HE3 LYS 56 HE1 LYS 56 17.585 17.410 -2.774 972 HZ1 LYS 56 HZ1 LYS 56 19.876 16.856 -2.335 973 HZ2 LYS 56 HZ2 LYS 56 19.025 16.885 -0.871 974 HZ3 LYS 56 HZ3 LYS 56 20.036 18.169 -1.285 975 H LYS 57 HN LYS 57 21.181 21.998 -5.334 976 HA LYS 57 HA LYS 57 21.239 24.173 -7.096 977 HB2 LYS 57 HB2 LYS 57 23.195 23.377 -5.791 978 HB3 LYS 57 HB1 LYS 57 23.304 21.985 -6.857 979 HG2 LYS 57 HG2 LYS 57 24.917 23.674 -7.496 980 HG3 LYS 57 HG1 LYS 57 23.703 23.472 -8.760 981 HD2 LYS 57 HD2 LYS 57 22.499 25.454 -7.796 982 HD3 LYS 57 HD1 LYS 57 23.878 25.692 -6.723 983 HE2 LYS 57 HE2 LYS 57 23.952 25.706 -9.738 984 HE3 LYS 57 HE1 LYS 57 23.999 27.129 -8.700 985 HZ1 LYS 57 HZ1 LYS 57 26.191 26.527 -9.439 986 HZ2 LYS 57 HZ2 LYS 57 26.034 24.974 -8.795 987 HZ3 LYS 57 HZ3 LYS 57 26.075 26.319 -7.767 988 H TRP 58 HN TRP 58 20.880 20.737 -7.684 989 HA TRP 58 HA TRP 58 21.391 20.792 -10.455 990 HB2 TRP 58 HB2 TRP 58 19.574 18.948 -8.891 991 HB3 TRP 58 HB1 TRP 58 20.091 18.683 -10.553 992 HD1 TRP 58 HD1 TRP 58 20.887 17.481 -7.288 993 HE1 TRP 58 HE1 TRP 58 23.299 16.603 -7.122 994 HE3 TRP 58 HE3 TRP 58 22.813 19.586 -11.535 995 HZ2 TRP 58 HZ2 TRP 58 25.702 16.790 -8.589 996 HZ3 TRP 58 HZ3 TRP 58 25.179 19.191 -12.074 997 HH2 TRP 58 HH2 TRP 58 26.592 17.822 -10.630 998 H VAL 59 HN VAL 59 18.555 21.446 -8.546 999 HA VAL 59 HA VAL 59 16.706 21.647 -10.675 1000 HB VAL 59 HB VAL 59 16.685 22.968 -7.941 1001 HG11 VAL 59 HG11 VAL 59 14.286 23.287 -8.283 1002 HG12 VAL 59 HG12 VAL 59 14.427 22.637 -9.912 1003 HG13 VAL 59 HG13 VAL 59 15.223 24.155 -9.500 1004 HG21 VAL 59 HG21 VAL 59 16.704 20.521 -7.868 1005 HG22 VAL 59 HG22 VAL 59 15.298 20.479 -8.931 1006 HG23 VAL 59 HG23 VAL 59 15.159 21.170 -7.314 1007 H GLN 60 HN GLN 60 18.893 23.877 -9.097 1008 HA GLN 60 HA GLN 60 18.060 26.239 -10.405 1009 HB2 GLN 60 HB2 GLN 60 20.759 25.509 -9.249 1010 HB3 GLN 60 HB1 GLN 60 20.264 27.130 -9.711 1011 HG2 GLN 60 HG2 GLN 60 18.856 25.499 -7.622 1012 HG3 GLN 60 HG1 GLN 60 20.165 26.619 -7.264 1013 HE21 GLN 60 HE21 GLN 60 16.870 26.285 -8.235 1014 HE22 GLN 60 HE22 GLN 60 16.425 27.942 -8.037 1015 H GLU 61 HN GLU 61 20.536 23.823 -11.089 1016 HA GLU 61 HA GLU 61 21.625 25.087 -13.356 1017 HB2 GLU 61 HB2 GLU 61 21.526 22.168 -12.601 1018 HB3 GLU 61 HB1 GLU 61 22.528 22.840 -13.881 1019 HG2 GLU 61 HG2 GLU 61 22.700 23.656 -11.001 1020 HG3 GLU 61 HG1 GLU 61 23.711 22.422 -11.742 1021 H TYR 62 HN TYR 62 19.074 22.708 -12.943 1022 HA TYR 62 HA TYR 62 18.670 22.370 -15.740 1023 HB2 TYR 62 HB2 TYR 62 17.127 21.549 -13.307 1024 HB3 TYR 62 HB1 TYR 62 16.404 21.386 -14.905 1025 HD1 TYR 62 HD1 TYR 62 19.877 20.790 -13.636 1026 HD2 TYR 62 HD2 TYR 62 16.440 19.159 -15.532 1027 HE1 TYR 62 HE1 TYR 62 21.079 18.671 -13.969 1028 HE2 TYR 62 HE2 TYR 62 17.633 17.036 -15.874 1029 HH TYR 62 HH TYR 62 20.477 16.239 -14.303 1030 H ILE 63 HN ILE 63 17.202 24.408 -13.285 1031 HA ILE 63 HA ILE 63 15.198 25.514 -14.948 1032 HB ILE 63 HB ILE 63 16.575 26.514 -12.463 1033 HG12 ILE 63 HG12 ILE 63 13.714 25.728 -13.043 1034 HG13 ILE 63 HG11 ILE 63 14.910 24.721 -12.235 1035 HG21 ILE 63 HG21 ILE 63 16.112 28.471 -13.834 1036 HG22 ILE 63 HG22 ILE 63 15.074 28.432 -12.406 1037 HG23 ILE 63 HG23 ILE 63 14.425 27.979 -13.985 1038 HD11 ILE 63 HD11 ILE 63 15.020 26.290 -10.395 1039 HD12 ILE 63 HD12 ILE 63 13.357 25.766 -10.668 1040 HD13 ILE 63 HD13 ILE 63 13.880 27.356 -11.216 1041 H ASN 64 HN ASN 64 18.486 26.513 -14.182 1042 HA ASN 64 HA ASN 64 18.511 28.861 -15.716 1043 HB2 ASN 64 HB2 ASN 64 20.396 29.055 -14.523 1044 HB3 ASN 64 HB1 ASN 64 20.340 27.356 -14.090 1045 HD21 ASN 64 HD21 ASN 64 21.466 25.880 -15.338 1046 HD22 ASN 64 HD22 ASN 64 22.783 26.353 -16.356 1047 H TYR 65 HN TYR 65 19.179 25.513 -16.505 1048 HA TYR 65 HA TYR 65 20.172 26.117 -19.124 1049 HB2 TYR 65 HB2 TYR 65 20.735 23.995 -17.896 1050 HB3 TYR 65 HB1 TYR 65 19.065 23.496 -18.141 1051 HD1 TYR 65 HD1 TYR 65 22.081 24.555 -20.066 1052 HD2 TYR 65 HD2 TYR 65 18.463 22.311 -20.055 1053 HE1 TYR 65 HE1 TYR 65 22.662 23.616 -22.265 1054 HE2 TYR 65 HE2 TYR 65 19.036 21.366 -22.253 1055 HH TYR 65 HH TYR 65 20.415 21.854 -24.170 1056 H LEU 66 HN LEU 66 17.047 25.151 -17.789 1057 HA LEU 66 HA LEU 66 15.850 24.921 -20.390 1058 HB2 LEU 66 HB2 LEU 66 14.632 24.993 -17.635 1059 HB3 LEU 66 HB1 LEU 66 13.706 24.759 -19.104 1060 HG LEU 66 HG LEU 66 15.880 22.926 -18.112 1061 HD11 LEU 66 HD11 LEU 66 14.056 21.411 -17.552 1062 HD12 LEU 66 HD12 LEU 66 12.883 22.631 -18.041 1063 HD13 LEU 66 HD13 LEU 66 13.929 22.921 -16.652 1064 HD21 LEU 66 HD21 LEU 66 15.619 22.927 -20.555 1065 HD22 LEU 66 HD22 LEU 66 13.894 22.609 -20.366 1066 HD23 LEU 66 HD23 LEU 66 15.077 21.412 -19.841 1067 H GLU 67 HN GLU 67 16.282 27.539 -18.145 1068 HA GLU 67 HA GLU 67 14.235 29.142 -19.333 1069 HB2 GLU 67 HB2 GLU 67 15.048 30.959 -18.000 1070 HB3 GLU 67 HB1 GLU 67 15.126 29.507 -17.014 1071 HG2 GLU 67 HG2 GLU 67 17.502 29.351 -17.363 1072 HG3 GLU 67 HG1 GLU 67 17.460 30.734 -18.453 1073 H MET 68 HN MET 68 17.535 28.427 -20.041 1074 HA MET 68 HA MET 68 17.599 30.487 -22.124 1075 HB2 MET 68 HB2 MET 68 19.986 30.065 -22.294 1076 HB3 MET 68 HB1 MET 68 19.549 30.441 -20.634 1077 HG2 MET 68 HG2 MET 68 19.694 28.099 -20.034 1078 HG3 MET 68 HG1 MET 68 19.994 27.665 -21.718 1079 HE1 MET 68 HE1 MET 68 22.949 30.172 -19.199 1080 HE2 MET 68 HE2 MET 68 21.382 29.629 -18.600 1081 HE3 MET 68 HE3 MET 68 21.466 30.829 -19.889 1082 H SER 69 HN SER 69 16.964 27.273 -21.697 1083 HA SER 69 HA SER 69 16.791 26.833 -24.525 1084 HB2 SER 69 HB2 SER 69 18.794 25.438 -22.806 1085 HB3 SER 69 HB1 SER 69 18.227 24.717 -24.324 1086 HG SER 69 HG SER 69 18.988 27.330 -24.579 Start of MODEL 2 1 H1 MET 1 HT1 MET 1 0.461 1.513 -0.475 2 HA MET 1 HA MET 1 2.628 0.830 -1.193 3 HB2 MET 1 HB2 MET 1 1.149 0.018 -3.706 4 HB3 MET 1 HB1 MET 1 2.897 0.151 -3.588 5 HG2 MET 1 HG2 MET 1 2.910 -1.599 -1.881 6 HG3 MET 1 HG1 MET 1 1.158 -1.731 -2.008 7 HE1 MET 1 HE1 MET 1 3.234 -4.185 -2.317 8 HE2 MET 1 HE2 MET 1 2.479 -5.048 -3.657 9 HE3 MET 1 HE3 MET 1 1.480 -4.357 -2.378 10 H SER 2 HN SER 2 3.930 2.354 -2.214 11 HA SER 2 HA SER 2 2.480 4.649 -3.348 12 HB2 SER 2 HB2 SER 2 5.007 4.631 -1.686 13 HB3 SER 2 HB1 SER 2 4.296 6.064 -2.419 14 HG SER 2 HG SER 2 2.340 4.968 -1.109 15 HA PRO 3 HA PRO 3 4.839 3.604 -7.056 16 HB2 PRO 3 HB2 PRO 3 3.843 6.308 -7.807 17 HB3 PRO 3 HB1 PRO 3 3.726 4.785 -8.695 18 HG2 PRO 3 HG2 PRO 3 1.591 5.805 -7.484 19 HG3 PRO 3 HG1 PRO 3 1.895 4.057 -7.467 20 HD2 PRO 3 HD2 PRO 3 2.326 6.078 -5.306 21 HD3 PRO 3 HD1 PRO 3 1.719 4.411 -5.195 22 H TYR 4 HN TYR 4 6.860 4.209 -7.786 23 HA TYR 4 HA TYR 4 8.149 6.303 -6.232 24 HB2 TYR 4 HB2 TYR 4 10.288 5.378 -7.174 25 HB3 TYR 4 HB1 TYR 4 9.372 4.245 -6.195 26 HD1 TYR 4 HD1 TYR 4 10.354 5.115 -9.652 27 HD2 TYR 4 HD2 TYR 4 8.540 2.212 -7.129 28 HE1 TYR 4 HE1 TYR 4 10.462 3.472 -11.475 29 HE2 TYR 4 HE2 TYR 4 8.639 0.563 -8.946 30 HH TYR 4 HH TYR 4 10.437 1.116 -11.828 31 H GLY 5 HN GLY 5 8.875 8.159 -7.023 32 HA2 GLY 5 HA2 GLY 5 9.839 9.038 -9.276 33 HA3 GLY 5 HA1 GLY 5 8.183 8.754 -9.798 34 H SER 6 HN SER 6 6.879 9.494 -7.432 35 HA SER 6 HA SER 6 5.957 11.262 -6.385 36 HB2 SER 6 HB2 SER 6 8.711 12.486 -6.681 37 HB3 SER 6 HB1 SER 6 7.424 13.115 -5.649 38 HG SER 6 HG SER 6 7.529 11.266 -4.413 39 H ASP 7 HN ASP 7 4.427 11.866 -7.805 40 HA ASP 7 HA ASP 7 5.125 14.058 -9.636 41 HB2 ASP 7 HB2 ASP 7 3.840 13.172 -11.376 42 HB3 ASP 7 HB1 ASP 7 4.640 11.753 -10.710 43 H THR 8 HN THR 8 2.747 14.808 -10.519 44 HA THR 8 HA THR 8 1.696 16.491 -8.670 45 HB THR 8 HB THR 8 -0.412 16.395 -10.149 46 HG1 THR 8 HG1 THR 8 0.742 14.178 -10.944 47 HG21 THR 8 HG21 THR 8 2.299 16.982 -11.357 48 HG22 THR 8 HG22 THR 8 1.333 18.091 -10.383 49 HG23 THR 8 HG23 THR 8 0.756 17.579 -11.970 50 H THR 9 HN THR 9 0.744 16.140 -6.808 51 HA THR 9 HA THR 9 -0.871 13.745 -6.416 52 HB THR 9 HB THR 9 0.061 15.792 -4.384 53 HG1 THR 9 HG1 THR 9 1.670 14.380 -5.619 54 HG21 THR 9 HG21 THR 9 -0.443 14.040 -2.743 55 HG22 THR 9 HG22 THR 9 -1.004 12.980 -4.036 56 HG23 THR 9 HG23 THR 9 -1.885 14.463 -3.666 57 HA PRO 10 HA PRO 10 -4.409 16.427 -6.822 58 HB2 PRO 10 HB2 PRO 10 -6.217 14.322 -6.243 59 HB3 PRO 10 HB1 PRO 10 -5.720 14.898 -7.832 60 HG2 PRO 10 HG2 PRO 10 -5.102 12.399 -6.689 61 HG3 PRO 10 HG1 PRO 10 -4.410 13.093 -8.162 62 HD2 PRO 10 HD2 PRO 10 -3.275 12.927 -5.434 63 HD3 PRO 10 HD1 PRO 10 -2.459 13.023 -7.008 64 H CYS 11 HN CYS 11 -4.600 17.780 -5.178 65 HA CYS 11 HA CYS 11 -5.741 16.775 -2.669 66 HB2 CYS 11 HB2 CYS 11 -3.199 17.274 -2.602 67 HB3 CYS 11 HB1 CYS 11 -3.668 18.963 -2.745 68 H CYS 12 HN CYS 12 -6.526 18.829 -1.373 69 HA CYS 12 HA CYS 12 -7.105 21.200 -2.754 70 HB2 CYS 12 HB2 CYS 12 -9.541 20.866 -3.145 71 HB3 CYS 12 HB1 CYS 12 -8.529 19.866 -4.182 72 H PHE 13 HN PHE 13 -8.745 22.510 -1.660 73 HA PHE 13 HA PHE 13 -9.766 21.643 0.865 74 HB2 PHE 13 HB2 PHE 13 -7.491 22.369 1.518 75 HB3 PHE 13 HB1 PHE 13 -7.803 23.956 0.816 76 HD1 PHE 13 HD1 PHE 13 -8.689 21.640 3.536 77 HD2 PHE 13 HD2 PHE 13 -9.099 25.588 2.002 78 HE1 PHE 13 HE1 PHE 13 -9.638 22.373 5.680 79 HE2 PHE 13 HE2 PHE 13 -10.051 26.324 4.147 80 HZ PHE 13 HZ PHE 13 -10.322 24.718 5.987 81 H ALA 14 HN ALA 14 -11.698 22.023 -0.094 82 HA ALA 14 HA ALA 14 -12.490 24.812 -0.144 83 HB1 ALA 14 HB1 ALA 14 -11.942 24.309 -2.473 84 HB2 ALA 14 HB2 ALA 14 -13.682 24.522 -2.277 85 HB3 ALA 14 HB3 ALA 14 -13.003 22.902 -2.429 86 H TYR 15 HN TYR 15 -14.976 24.837 -0.431 87 HA TYR 15 HA TYR 15 -16.388 22.482 0.318 88 HB2 TYR 15 HB2 TYR 15 -17.173 23.272 2.528 89 HB3 TYR 15 HB1 TYR 15 -15.442 22.959 2.512 90 HD1 TYR 15 HD1 TYR 15 -18.016 25.599 2.557 91 HD2 TYR 15 HD2 TYR 15 -13.868 24.717 2.899 92 HE1 TYR 15 HE1 TYR 15 -17.610 27.862 3.420 93 HE2 TYR 15 HE2 TYR 15 -13.452 26.978 3.760 94 HH TYR 15 HH TYR 15 -14.509 29.187 3.657 95 H LEU 16 HN LEU 16 -18.649 22.820 0.400 96 HA LEU 16 HA LEU 16 -19.485 25.448 -0.528 97 HB2 LEU 16 HB2 LEU 16 -19.943 22.797 -1.753 98 HB3 LEU 16 HB1 LEU 16 -21.253 23.959 -1.784 99 HG LEU 16 HG LEU 16 -18.550 24.770 -2.692 100 HD11 LEU 16 HD11 LEU 16 -20.611 23.318 -4.369 101 HD12 LEU 16 HD12 LEU 16 -19.025 22.694 -3.915 102 HD13 LEU 16 HD13 LEU 16 -19.150 24.085 -4.992 103 HD21 LEU 16 HD21 LEU 16 -19.883 26.239 -4.169 104 HD22 LEU 16 HD22 LEU 16 -20.171 26.505 -2.451 105 HD23 LEU 16 HD23 LEU 16 -21.346 25.607 -3.412 106 H SER 17 HN SER 17 -21.321 26.159 0.148 107 HA SER 17 HA SER 17 -22.590 24.689 2.339 108 HB2 SER 17 HB2 SER 17 -22.829 27.591 1.502 109 HB3 SER 17 HB1 SER 17 -23.621 26.873 2.906 110 HG SER 17 HG SER 17 -21.624 27.956 3.390 111 H LEU 18 HN LEU 18 -23.013 25.748 -0.875 112 HA LEU 18 HA LEU 18 -25.810 24.852 -0.864 113 HB2 LEU 18 HB2 LEU 18 -24.413 26.627 -2.870 114 HB3 LEU 18 HB1 LEU 18 -26.106 26.185 -2.888 115 HG LEU 18 HG LEU 18 -24.773 27.881 -0.778 116 HD11 LEU 18 HD11 LEU 18 -26.054 29.716 -1.756 117 HD12 LEU 18 HD12 LEU 18 -26.625 28.637 -3.029 118 HD13 LEU 18 HD13 LEU 18 -24.910 29.031 -2.909 119 HD21 LEU 18 HD21 LEU 18 -27.675 27.159 -1.198 120 HD22 LEU 18 HD22 LEU 18 -27.065 28.313 -0.013 121 HD23 LEU 18 HD23 LEU 18 -26.641 26.607 0.121 122 H ALA 19 HN ALA 19 -25.342 22.677 -1.120 123 HA ALA 19 HA ALA 19 -23.523 21.790 -3.170 124 HB1 ALA 19 HB1 ALA 19 -23.714 20.585 -1.040 125 HB2 ALA 19 HB2 ALA 19 -24.069 19.546 -2.421 126 HB3 ALA 19 HB3 ALA 19 -25.385 20.177 -1.431 127 H LEU 20 HN LEU 20 -24.006 20.843 -5.084 128 HA LEU 20 HA LEU 20 -26.506 21.468 -6.282 129 HB2 LEU 20 HB2 LEU 20 -25.554 20.149 -8.235 130 HB3 LEU 20 HB1 LEU 20 -24.649 21.558 -7.728 131 HG LEU 20 HG LEU 20 -23.208 19.847 -6.382 132 HD11 LEU 20 HD11 LEU 20 -24.646 17.913 -6.707 133 HD12 LEU 20 HD12 LEU 20 -23.050 17.647 -7.408 134 HD13 LEU 20 HD13 LEU 20 -24.418 18.027 -8.453 135 HD21 LEU 20 HD21 LEU 20 -22.409 21.177 -8.267 136 HD22 LEU 20 HD22 LEU 20 -23.066 19.984 -9.389 137 HD23 LEU 20 HD23 LEU 20 -21.749 19.543 -8.305 138 HA PRO 21 HA PRO 21 -29.062 18.045 -5.265 139 HB2 PRO 21 HB2 PRO 21 -30.143 17.506 -7.783 140 HB3 PRO 21 HB1 PRO 21 -30.761 18.692 -6.631 141 HG2 PRO 21 HG2 PRO 21 -28.973 19.094 -8.990 142 HG3 PRO 21 HG1 PRO 21 -30.291 20.119 -8.392 143 HD2 PRO 21 HD2 PRO 21 -27.746 20.774 -7.961 144 HD3 PRO 21 HD1 PRO 21 -28.975 21.034 -6.704 145 H ARG 22 HN ARG 22 -29.189 15.809 -5.346 146 HA ARG 22 HA ARG 22 -26.888 14.374 -5.970 147 HB2 ARG 22 HB2 ARG 22 -29.714 13.374 -5.612 148 HB3 ARG 22 HB1 ARG 22 -28.310 12.327 -5.711 149 HG2 ARG 22 HG2 ARG 22 -27.403 13.356 -3.675 150 HG3 ARG 22 HG1 ARG 22 -28.821 14.402 -3.584 151 HD2 ARG 22 HD2 ARG 22 -28.838 11.389 -3.488 152 HD3 ARG 22 HD1 ARG 22 -29.032 12.465 -2.106 153 HE ARG 22 HE ARG 22 -31.062 13.307 -3.421 154 HH11 ARG 22 HH11 ARG 22 -29.936 9.965 -3.500 155 HH12 ARG 22 HH12 ARG 22 -31.509 9.321 -3.794 156 HH21 ARG 22 HH21 ARG 22 -33.153 12.421 -3.807 157 HH22 ARG 22 HH22 ARG 22 -33.336 10.713 -3.984 158 H ALA 23 HN ALA 23 -29.767 14.926 -7.883 159 HA ALA 23 HA ALA 23 -29.309 13.027 -9.900 160 HB1 ALA 23 HB1 ALA 23 -31.456 14.167 -9.576 161 HB2 ALA 23 HB2 ALA 23 -30.886 14.304 -11.238 162 HB3 ALA 23 HB3 ALA 23 -30.733 15.675 -10.139 163 H HIS 24 HN HIS 24 -27.696 15.966 -9.221 164 HA HIS 24 HA HIS 24 -26.682 16.260 -11.930 165 HB2 HIS 24 HB2 HIS 24 -26.541 17.923 -9.440 166 HB3 HIS 24 HB1 HIS 24 -25.438 18.218 -10.775 167 HD1 HIS 24 HD1 HIS 24 -26.427 20.491 -11.396 168 HD2 HIS 24 HD2 HIS 24 -29.217 17.409 -11.412 169 HE1 HIS 24 HE1 HIS 24 -28.479 21.453 -12.467 170 H VAL 25 HN VAL 25 -25.773 14.945 -8.876 171 HA VAL 25 HA VAL 25 -22.963 14.911 -9.612 172 HB VAL 25 HB VAL 25 -23.828 15.431 -7.222 173 HG11 VAL 25 HG11 VAL 25 -24.108 13.561 -5.728 174 HG12 VAL 25 HG12 VAL 25 -23.869 12.426 -7.048 175 HG13 VAL 25 HG13 VAL 25 -25.300 13.462 -7.027 176 HG21 VAL 25 HG21 VAL 25 -21.478 15.189 -7.766 177 HG22 VAL 25 HG22 VAL 25 -21.609 13.434 -7.635 178 HG23 VAL 25 HG23 VAL 25 -21.831 14.445 -6.207 179 H LYS 26 HN LYS 26 -21.761 12.911 -9.600 180 HA LYS 26 HA LYS 26 -23.429 10.648 -10.467 181 HB2 LYS 26 HB2 LYS 26 -21.969 11.638 -12.214 182 HB3 LYS 26 HB1 LYS 26 -20.571 11.303 -11.207 183 HG2 LYS 26 HG2 LYS 26 -20.832 8.957 -11.477 184 HG3 LYS 26 HG1 LYS 26 -22.421 9.156 -12.221 185 HD2 LYS 26 HD2 LYS 26 -20.856 8.715 -13.976 186 HD3 LYS 26 HD1 LYS 26 -21.306 10.414 -14.078 187 HE2 LYS 26 HE2 LYS 26 -18.993 10.450 -14.367 188 HE3 LYS 26 HE1 LYS 26 -19.193 10.841 -12.663 189 HZ1 LYS 26 HZ1 LYS 26 -18.666 8.544 -12.093 190 HZ2 LYS 26 HZ2 LYS 26 -17.433 9.201 -13.042 191 HZ3 LYS 26 HZ3 LYS 26 -18.550 8.145 -13.734 192 H GLU 27 HN GLU 27 -20.483 11.573 -8.733 193 HA GLU 27 HA GLU 27 -20.896 9.581 -6.741 194 HB2 GLU 27 HB2 GLU 27 -18.881 8.262 -7.177 195 HB3 GLU 27 HB1 GLU 27 -20.019 8.149 -8.513 196 HG2 GLU 27 HG2 GLU 27 -18.680 9.886 -9.690 197 HG3 GLU 27 HG1 GLU 27 -17.488 9.746 -8.395 198 H TYR 28 HN TYR 28 -18.729 9.425 -5.397 199 HA TYR 28 HA TYR 28 -17.413 12.036 -5.327 200 HB2 TYR 28 HB2 TYR 28 -17.674 12.247 -2.964 201 HB3 TYR 28 HB1 TYR 28 -19.269 11.873 -3.605 202 HD1 TYR 28 HD1 TYR 28 -16.693 10.918 -1.307 203 HD2 TYR 28 HD2 TYR 28 -20.108 9.464 -3.386 204 HE1 TYR 28 HE1 TYR 28 -16.861 9.060 0.285 205 HE2 TYR 28 HE2 TYR 28 -20.285 7.595 -1.793 206 HH TYR 28 HH TYR 28 -18.793 6.347 -0.247 207 H PHE 29 HN PHE 29 -15.343 11.968 -4.155 208 HA PHE 29 HA PHE 29 -14.157 9.336 -3.785 209 HB2 PHE 29 HB2 PHE 29 -13.921 9.846 -6.216 210 HB3 PHE 29 HB1 PHE 29 -13.063 11.321 -5.801 211 HD1 PHE 29 HD1 PHE 29 -12.892 7.637 -5.232 212 HD2 PHE 29 HD2 PHE 29 -10.762 11.283 -5.767 213 HE1 PHE 29 HE1 PHE 29 -10.777 6.390 -5.264 214 HE2 PHE 29 HE2 PHE 29 -8.639 10.038 -5.797 215 HZ PHE 29 HZ PHE 29 -8.646 7.589 -5.548 216 H TYR 30 HN TYR 30 -12.484 9.401 -2.306 217 HA TYR 30 HA TYR 30 -12.155 11.892 -0.876 218 HB2 TYR 30 HB2 TYR 30 -11.188 9.084 -0.396 219 HB3 TYR 30 HB1 TYR 30 -10.600 10.433 0.566 220 HD1 TYR 30 HD1 TYR 30 -13.471 8.284 -0.161 221 HD2 TYR 30 HD2 TYR 30 -12.066 11.580 2.126 222 HE1 TYR 30 HE1 TYR 30 -15.424 8.084 1.320 223 HE2 TYR 30 HE2 TYR 30 -14.012 11.393 3.611 224 HH TYR 30 HH TYR 30 -16.095 8.699 3.574 225 H THR 31 HN THR 31 -10.175 12.924 -0.444 226 HA THR 31 HA THR 31 -8.434 13.130 -2.658 227 HB THR 31 HB THR 31 -7.060 14.571 -1.049 228 HG1 THR 31 HG1 THR 31 -7.635 14.641 0.981 229 HG21 THR 31 HG21 THR 31 -8.691 16.379 -1.072 230 HG22 THR 31 HG22 THR 31 -9.986 15.224 -1.387 231 HG23 THR 31 HG23 THR 31 -8.728 15.490 -2.594 232 H SER 32 HN SER 32 -5.957 13.044 -2.287 233 HA SER 32 HA SER 32 -5.299 10.344 -1.766 234 HB2 SER 32 HB2 SER 32 -3.573 12.766 -2.290 235 HB3 SER 32 HB1 SER 32 -2.948 11.121 -2.166 236 HG SER 32 HG SER 32 -3.675 10.696 -4.083 237 H SER 33 HN SER 33 -4.096 9.423 -0.140 238 HA SER 33 HA SER 33 -4.433 10.498 2.459 239 HB2 SER 33 HB2 SER 33 -2.694 8.180 1.599 240 HB3 SER 33 HB1 SER 33 -3.360 8.475 3.205 241 HG SER 33 HG SER 33 -5.336 7.939 2.520 242 H LYS 34 HN LYS 34 -2.118 11.003 0.076 243 HA LYS 34 HA LYS 34 0.117 11.531 1.814 244 HB2 LYS 34 HB2 LYS 34 -0.330 12.131 -1.118 245 HB3 LYS 34 HB1 LYS 34 1.180 12.422 -0.266 246 HG2 LYS 34 HG2 LYS 34 -0.123 9.723 -0.583 247 HG3 LYS 34 HG1 LYS 34 1.187 10.340 -1.593 248 HD2 LYS 34 HD2 LYS 34 2.649 10.477 0.339 249 HD3 LYS 34 HD1 LYS 34 1.332 9.978 1.400 250 HE2 LYS 34 HE2 LYS 34 2.833 8.118 0.934 251 HE3 LYS 34 HE1 LYS 34 1.227 7.820 0.272 252 HZ1 LYS 34 HZ1 LYS 34 2.048 8.461 -1.908 253 HZ2 LYS 34 HZ2 LYS 34 2.961 7.193 -1.278 254 HZ3 LYS 34 HZ3 LYS 34 3.586 8.763 -1.273 255 H CYS 35 HN CYS 35 -2.697 13.144 1.070 256 HA CYS 35 HA CYS 35 -1.639 15.818 1.097 257 HB2 CYS 35 HB2 CYS 35 -4.463 14.766 1.226 258 HB3 CYS 35 HB1 CYS 35 -4.038 16.471 1.141 259 H SER 36 HN SER 36 -2.179 17.384 2.689 260 HA SER 36 HA SER 36 -2.072 16.326 5.376 261 HB2 SER 36 HB2 SER 36 -0.632 18.244 4.568 262 HB3 SER 36 HB1 SER 36 -2.095 19.224 4.484 263 HG SER 36 HG SER 36 -0.910 19.461 6.463 264 H ASN 37 HN ASN 37 -4.453 17.090 3.210 265 HA ASN 37 HA ASN 37 -6.414 17.586 5.349 266 HB2 ASN 37 HB2 ASN 37 -6.099 19.658 4.073 267 HB3 ASN 37 HB1 ASN 37 -6.405 18.793 2.570 268 HD21 ASN 37 HD21 ASN 37 -8.237 19.769 1.899 269 HD22 ASN 37 HD22 ASN 37 -9.717 19.768 2.800 270 H LEU 38 HN LEU 38 -8.227 16.339 5.271 271 HA LEU 38 HA LEU 38 -8.421 14.470 3.032 272 HB2 LEU 38 HB2 LEU 38 -8.350 13.441 5.255 273 HB3 LEU 38 HB1 LEU 38 -9.748 14.381 5.742 274 HG LEU 38 HG LEU 38 -11.115 13.217 4.060 275 HD11 LEU 38 HD11 LEU 38 -10.196 11.172 2.999 276 HD12 LEU 38 HD12 LEU 38 -8.591 11.650 3.553 277 HD13 LEU 38 HD13 LEU 38 -9.471 12.666 2.409 278 HD21 LEU 38 HD21 LEU 38 -9.635 11.390 5.933 279 HD22 LEU 38 HD22 LEU 38 -11.204 11.070 5.188 280 HD23 LEU 38 HD23 LEU 38 -11.027 12.395 6.340 281 H ALA 39 HN ALA 39 -9.800 14.925 1.532 282 HA ALA 39 HA ALA 39 -12.257 16.367 2.199 283 HB1 ALA 39 HB1 ALA 39 -11.945 17.818 0.225 284 HB2 ALA 39 HB2 ALA 39 -10.338 17.119 -0.006 285 HB3 ALA 39 HB3 ALA 39 -10.689 18.063 1.441 286 H VAL 40 HN VAL 40 -13.709 16.381 0.186 287 HA VAL 40 HA VAL 40 -13.339 13.858 -1.249 288 HB VAL 40 HB VAL 40 -15.840 13.663 -1.355 289 HG11 VAL 40 HG11 VAL 40 -14.515 12.309 0.150 290 HG12 VAL 40 HG12 VAL 40 -16.056 12.737 0.894 291 HG13 VAL 40 HG13 VAL 40 -14.580 13.578 1.372 292 HG21 VAL 40 HG21 VAL 40 -17.168 14.855 0.298 293 HG22 VAL 40 HG22 VAL 40 -16.383 15.980 -0.811 294 HG23 VAL 40 HG23 VAL 40 -15.739 15.751 0.815 295 H VAL 41 HN VAL 41 -13.774 13.832 -3.330 296 HA VAL 41 HA VAL 41 -14.317 16.408 -4.615 297 HB VAL 41 HB VAL 41 -12.943 13.984 -5.793 298 HG11 VAL 41 HG11 VAL 41 -12.266 15.538 -7.563 299 HG12 VAL 41 HG12 VAL 41 -13.223 16.810 -6.803 300 HG13 VAL 41 HG13 VAL 41 -14.018 15.377 -7.456 301 HG21 VAL 41 HG21 VAL 41 -11.719 16.529 -4.726 302 HG22 VAL 41 HG22 VAL 41 -10.853 15.250 -5.576 303 HG23 VAL 41 HG23 VAL 41 -11.583 14.927 -4.003 304 H PHE 42 HN PHE 42 -16.281 16.545 -5.404 305 HA PHE 42 HA PHE 42 -17.786 14.118 -5.924 306 HB2 PHE 42 HB2 PHE 42 -18.567 17.016 -5.785 307 HB3 PHE 42 HB1 PHE 42 -19.684 15.759 -6.302 308 HD1 PHE 42 HD1 PHE 42 -17.943 17.271 -3.513 309 HD2 PHE 42 HD2 PHE 42 -20.408 14.022 -4.720 310 HE1 PHE 42 HE1 PHE 42 -18.455 16.792 -1.164 311 HE2 PHE 42 HE2 PHE 42 -20.939 13.544 -2.369 312 HZ PHE 42 HZ PHE 42 -19.965 14.930 -0.584 313 H VAL 43 HN VAL 43 -18.116 13.315 -7.806 314 HA VAL 43 HA VAL 43 -17.252 14.825 -10.161 315 HB VAL 43 HB VAL 43 -17.805 11.861 -9.871 316 HG11 VAL 43 HG11 VAL 43 -18.095 12.717 -12.137 317 HG12 VAL 43 HG12 VAL 43 -16.701 11.645 -12.013 318 HG13 VAL 43 HG13 VAL 43 -16.464 13.395 -12.088 319 HG21 VAL 43 HG21 VAL 43 -15.170 13.328 -9.895 320 HG22 VAL 43 HG22 VAL 43 -15.365 11.577 -9.938 321 HG23 VAL 43 HG23 VAL 43 -15.886 12.488 -8.521 322 H THR 44 HN THR 44 -18.849 15.754 -11.230 323 HA THR 44 HA THR 44 -21.578 15.012 -10.754 324 HB THR 44 HB THR 44 -22.140 16.842 -12.306 325 HG1 THR 44 HG1 THR 44 -19.385 17.400 -12.488 326 HG21 THR 44 HG21 THR 44 -21.163 18.674 -11.009 327 HG22 THR 44 HG22 THR 44 -19.965 17.568 -10.339 328 HG23 THR 44 HG23 THR 44 -21.674 17.362 -9.945 329 H ARG 45 HN ARG 45 -23.050 15.017 -12.808 330 HA ARG 45 HA ARG 45 -22.462 12.651 -14.251 331 HB2 ARG 45 HB2 ARG 45 -24.599 14.738 -14.723 332 HB3 ARG 45 HB1 ARG 45 -24.543 13.169 -15.510 333 HG2 ARG 45 HG2 ARG 45 -24.738 13.548 -12.529 334 HG3 ARG 45 HG1 ARG 45 -26.126 13.318 -13.589 335 HD2 ARG 45 HD2 ARG 45 -25.262 11.149 -14.277 336 HD3 ARG 45 HD1 ARG 45 -23.834 11.381 -13.270 337 HE ARG 45 HE ARG 45 -25.718 11.599 -11.437 338 HH11 ARG 45 HH11 ARG 45 -25.441 9.252 -14.044 339 HH12 ARG 45 HH12 ARG 45 -26.298 8.015 -13.192 340 HH21 ARG 45 HH21 ARG 45 -26.860 9.958 -10.321 341 HH22 ARG 45 HH22 ARG 45 -27.110 8.424 -11.074 342 H ARG 46 HN ARG 46 -21.629 15.904 -14.766 343 HA ARG 46 HA ARG 46 -21.095 15.500 -17.617 344 HB2 ARG 46 HB2 ARG 46 -20.960 17.919 -15.818 345 HB3 ARG 46 HB1 ARG 46 -20.225 17.918 -17.409 346 HG2 ARG 46 HG2 ARG 46 -22.307 18.963 -17.662 347 HG3 ARG 46 HG1 ARG 46 -22.507 17.343 -18.324 348 HD2 ARG 46 HD2 ARG 46 -23.744 16.625 -16.456 349 HD3 ARG 46 HD1 ARG 46 -23.243 18.014 -15.490 350 HE ARG 46 HE ARG 46 -24.549 19.190 -17.508 351 HH11 ARG 46 HH11 ARG 46 -25.454 16.479 -15.482 352 HH12 ARG 46 HH12 ARG 46 -27.140 16.824 -15.520 353 HH21 ARG 46 HH21 ARG 46 -26.786 19.681 -17.564 354 HH22 ARG 46 HH22 ARG 46 -27.913 18.678 -16.722 355 H ASN 47 HN ASN 47 -19.707 14.503 -14.973 356 HA ASN 47 HA ASN 47 -17.667 13.896 -14.278 357 HB2 ASN 47 HB2 ASN 47 -16.996 14.468 -17.151 358 HB3 ASN 47 HB1 ASN 47 -15.755 13.974 -16.004 359 HD21 ASN 47 HD21 ASN 47 -18.514 13.007 -17.818 360 HD22 ASN 47 HD22 ASN 47 -18.402 11.316 -17.486 361 H ARG 48 HN ARG 48 -18.630 16.728 -14.286 362 HA ARG 48 HA ARG 48 -16.172 18.242 -14.063 363 HB2 ARG 48 HB2 ARG 48 -18.199 19.407 -14.807 364 HB3 ARG 48 HB1 ARG 48 -19.038 18.930 -13.340 365 HG2 ARG 48 HG2 ARG 48 -17.434 20.269 -12.028 366 HG3 ARG 48 HG1 ARG 48 -16.690 20.801 -13.536 367 HD2 ARG 48 HD2 ARG 48 -19.570 21.237 -12.757 368 HD3 ARG 48 HD1 ARG 48 -18.295 22.446 -12.646 369 HE ARG 48 HE ARG 48 -19.470 21.368 -15.111 370 HH11 ARG 48 HH11 ARG 48 -17.363 23.694 -13.529 371 HH12 ARG 48 HH12 ARG 48 -17.220 24.697 -14.932 372 HH21 ARG 48 HH21 ARG 48 -19.287 22.703 -16.951 373 HH22 ARG 48 HH22 ARG 48 -18.321 24.134 -16.878 374 H GLN 49 HN GLN 49 -15.046 18.482 -12.219 375 HA GLN 49 HA GLN 49 -16.119 17.014 -9.932 376 HB2 GLN 49 HB2 GLN 49 -13.242 17.724 -10.505 377 HB3 GLN 49 HB1 GLN 49 -13.847 16.697 -9.218 378 HG2 GLN 49 HG2 GLN 49 -14.638 15.074 -10.820 379 HG3 GLN 49 HG1 GLN 49 -14.126 16.108 -12.151 380 HE21 GLN 49 HE21 GLN 49 -12.295 15.809 -9.245 381 HE22 GLN 49 HE22 GLN 49 -10.976 14.914 -9.921 382 H VAL 50 HN VAL 50 -15.705 17.775 -7.828 383 HA VAL 50 HA VAL 50 -14.921 20.542 -7.471 384 HB VAL 50 HB VAL 50 -17.381 20.594 -7.897 385 HG11 VAL 50 HG11 VAL 50 -17.557 18.903 -5.436 386 HG12 VAL 50 HG12 VAL 50 -17.963 18.423 -7.082 387 HG13 VAL 50 HG13 VAL 50 -18.921 19.663 -6.263 388 HG21 VAL 50 HG21 VAL 50 -17.984 21.919 -5.926 389 HG22 VAL 50 HG22 VAL 50 -16.356 22.299 -6.491 390 HG23 VAL 50 HG23 VAL 50 -16.580 21.275 -5.073 391 H CYS 51 HN CYS 51 -13.981 20.850 -5.482 392 HA CYS 51 HA CYS 51 -13.784 18.459 -3.809 393 HB2 CYS 51 HB2 CYS 51 -12.094 20.945 -3.963 394 HB3 CYS 51 HB1 CYS 51 -11.866 19.677 -2.764 395 H ALA 52 HN ALA 52 -14.577 18.367 -1.806 396 HA ALA 52 HA ALA 52 -15.367 20.861 -0.509 397 HB1 ALA 52 HB1 ALA 52 -17.213 18.501 -0.836 398 HB2 ALA 52 HB2 ALA 52 -17.355 20.042 -1.680 399 HB3 ALA 52 HB3 ALA 52 -17.559 19.973 0.071 400 H ASN 53 HN ASN 53 -15.319 20.810 1.684 401 HA ASN 53 HA ASN 53 -13.826 18.667 2.890 402 HB2 ASN 53 HB2 ASN 53 -14.683 21.402 3.705 403 HB3 ASN 53 HB1 ASN 53 -14.388 20.239 4.992 404 HD21 ASN 53 HD21 ASN 53 -12.940 21.982 2.310 405 HD22 ASN 53 HD22 ASN 53 -11.299 21.772 2.827 406 HA PRO 54 HA PRO 54 -17.340 16.367 4.232 407 HB2 PRO 54 HB2 PRO 54 -16.209 14.859 6.137 408 HB3 PRO 54 HB1 PRO 54 -15.807 14.650 4.425 409 HG2 PRO 54 HG2 PRO 54 -14.339 16.200 6.531 410 HG3 PRO 54 HG1 PRO 54 -13.689 15.009 5.383 411 HD2 PRO 54 HD2 PRO 54 -13.493 17.648 4.933 412 HD3 PRO 54 HD1 PRO 54 -13.778 16.501 3.606 413 H GLU 55 HN GLU 55 -16.293 18.931 5.881 414 HA GLU 55 HA GLU 55 -17.598 18.287 8.390 415 HB2 GLU 55 HB2 GLU 55 -16.161 20.800 7.536 416 HB3 GLU 55 HB1 GLU 55 -16.803 20.499 9.146 417 HG2 GLU 55 HG2 GLU 55 -15.312 18.491 9.261 418 HG3 GLU 55 HG1 GLU 55 -14.573 19.041 7.761 419 H LYS 56 HN LYS 56 -18.650 19.159 5.489 420 HA LYS 56 HA LYS 56 -20.744 20.970 6.468 421 HB2 LYS 56 HB2 LYS 56 -19.873 20.168 3.694 422 HB3 LYS 56 HB1 LYS 56 -21.380 21.022 3.985 423 HG2 LYS 56 HG2 LYS 56 -18.675 22.063 4.805 424 HG3 LYS 56 HG1 LYS 56 -19.470 22.460 3.280 425 HD2 LYS 56 HD2 LYS 56 -21.389 23.362 4.563 426 HD3 LYS 56 HD1 LYS 56 -20.506 23.045 6.056 427 HE2 LYS 56 HE2 LYS 56 -18.738 24.569 5.351 428 HE3 LYS 56 HE1 LYS 56 -19.575 24.854 3.828 429 HZ1 LYS 56 HZ1 LYS 56 -21.379 25.881 5.009 430 HZ2 LYS 56 HZ2 LYS 56 -19.937 26.624 5.477 431 HZ3 LYS 56 HZ3 LYS 56 -20.680 25.510 6.503 432 H LYS 57 HN LYS 57 -22.790 20.295 6.753 433 HA LYS 57 HA LYS 57 -23.389 17.589 7.035 434 HB2 LYS 57 HB2 LYS 57 -24.619 19.394 8.171 435 HB3 LYS 57 HB1 LYS 57 -25.334 19.866 6.637 436 HG2 LYS 57 HG2 LYS 57 -26.464 17.713 6.484 437 HG3 LYS 57 HG1 LYS 57 -25.725 17.211 8.005 438 HD2 LYS 57 HD2 LYS 57 -26.849 19.104 9.127 439 HD3 LYS 57 HD1 LYS 57 -27.647 19.499 7.605 440 HE2 LYS 57 HE2 LYS 57 -28.757 17.343 7.598 441 HE3 LYS 57 HE1 LYS 57 -27.900 16.874 9.067 442 HZ1 LYS 57 HZ1 LYS 57 -29.865 19.088 8.829 443 HZ2 LYS 57 HZ2 LYS 57 -29.012 18.688 10.230 444 HZ3 LYS 57 HZ3 LYS 57 -30.127 17.596 9.583 445 H TRP 58 HN TRP 58 -24.042 19.766 4.343 446 HA TRP 58 HA TRP 58 -25.702 18.067 2.850 447 HB2 TRP 58 HB2 TRP 58 -23.760 20.172 1.866 448 HB3 TRP 58 HB1 TRP 58 -25.036 19.441 0.900 449 HD1 TRP 58 HD1 TRP 58 -24.434 22.072 3.561 450 HE1 TRP 58 HE1 TRP 58 -26.596 23.414 3.921 451 HE3 TRP 58 HE3 TRP 58 -27.646 19.200 0.809 452 HZ2 TRP 58 HZ2 TRP 58 -29.303 23.282 3.145 453 HZ3 TRP 58 HZ3 TRP 58 -30.006 19.879 0.667 454 HH2 TRP 58 HH2 TRP 58 -30.817 21.877 1.812 455 H VAL 59 HN VAL 59 -22.235 18.408 3.042 456 HA VAL 59 HA VAL 59 -21.572 16.712 0.888 457 HB VAL 59 HB VAL 59 -19.995 17.442 3.375 458 HG11 VAL 59 HG11 VAL 59 -19.148 15.361 2.431 459 HG12 VAL 59 HG12 VAL 59 -18.013 16.683 2.159 460 HG13 VAL 59 HG13 VAL 59 -19.038 16.118 0.842 461 HG21 VAL 59 HG21 VAL 59 -18.840 19.006 1.908 462 HG22 VAL 59 HG22 VAL 59 -20.575 19.329 1.924 463 HG23 VAL 59 HG23 VAL 59 -19.846 18.494 0.553 464 H GLN 60 HN GLN 60 -22.133 16.202 4.302 465 HA GLN 60 HA GLN 60 -21.387 13.476 4.372 466 HB2 GLN 60 HB2 GLN 60 -23.283 14.996 6.169 467 HB3 GLN 60 HB1 GLN 60 -22.593 13.419 6.518 468 HG2 GLN 60 HG2 GLN 60 -20.971 15.910 6.102 469 HG3 GLN 60 HG1 GLN 60 -21.491 15.326 7.678 470 HE21 GLN 60 HE21 GLN 60 -19.395 14.807 4.975 471 HE22 GLN 60 HE22 GLN 60 -18.375 13.634 5.726 472 H GLU 61 HN GLU 61 -24.443 15.166 3.876 473 HA GLU 61 HA GLU 61 -26.063 12.882 3.795 474 HB2 GLU 61 HB2 GLU 61 -26.423 15.555 2.448 475 HB3 GLU 61 HB1 GLU 61 -27.676 14.332 2.617 476 HG2 GLU 61 HG2 GLU 61 -26.261 15.694 4.888 477 HG3 GLU 61 HG1 GLU 61 -27.853 16.122 4.279 478 H TYR 62 HN TYR 62 -24.418 14.699 1.267 479 HA TYR 62 HA TYR 62 -25.421 13.053 -0.814 480 HB2 TYR 62 HB2 TYR 62 -23.208 15.076 -0.697 481 HB3 TYR 62 HB1 TYR 62 -23.455 14.092 -2.139 482 HD1 TYR 62 HD1 TYR 62 -25.053 16.583 0.077 483 HD2 TYR 62 HD2 TYR 62 -25.231 14.552 -3.645 484 HE1 TYR 62 HE1 TYR 62 -26.831 18.104 -0.653 485 HE2 TYR 62 HE2 TYR 62 -27.013 16.072 -4.388 486 HH TYR 62 HH TYR 62 -27.722 18.939 -2.914 487 H ILE 63 HN ILE 63 -22.513 12.949 1.145 488 HA ILE 63 HA ILE 63 -21.252 10.845 -0.265 489 HB ILE 63 HB ILE 63 -21.053 11.767 2.603 490 HG12 ILE 63 HG12 ILE 63 -19.063 11.812 0.321 491 HG13 ILE 63 HG11 ILE 63 -20.042 13.177 0.845 492 HG21 ILE 63 HG21 ILE 63 -19.501 9.503 1.350 493 HG22 ILE 63 HG22 ILE 63 -20.677 9.371 2.658 494 HG23 ILE 63 HG23 ILE 63 -19.159 10.230 2.921 495 HD11 ILE 63 HD11 ILE 63 -17.921 11.781 2.461 496 HD12 ILE 63 HD12 ILE 63 -18.932 13.106 3.036 497 HD13 ILE 63 HD13 ILE 63 -17.798 13.374 1.712 498 H ASN 64 HN ASN 64 -23.428 10.856 2.518 499 HA ASN 64 HA ASN 64 -23.458 8.053 2.847 500 HB2 ASN 64 HB2 ASN 64 -24.516 8.582 4.749 501 HB3 ASN 64 HB1 ASN 64 -24.479 10.264 4.245 502 HD21 ASN 64 HD21 ASN 64 -26.328 11.183 3.402 503 HD22 ASN 64 HD22 ASN 64 -27.888 10.461 3.572 504 H TYR 65 HN TYR 65 -25.369 10.236 0.899 505 HA TYR 65 HA TYR 65 -27.287 8.221 0.194 506 HB2 TYR 65 HB2 TYR 65 -26.766 10.993 -0.850 507 HB3 TYR 65 HB1 TYR 65 -27.920 9.920 -1.626 508 HD1 TYR 65 HD1 TYR 65 -28.099 12.691 0.053 509 HD2 TYR 65 HD2 TYR 65 -29.158 8.631 0.767 510 HE1 TYR 65 HE1 TYR 65 -29.827 13.425 1.638 511 HE2 TYR 65 HE2 TYR 65 -30.887 9.356 2.354 512 HH TYR 65 HH TYR 65 -31.898 12.604 2.604 513 H LEU 66 HN LEU 66 -24.369 9.536 -1.295 514 HA LEU 66 HA LEU 66 -24.763 8.059 -3.723 515 HB2 LEU 66 HB2 LEU 66 -22.354 9.524 -2.657 516 HB3 LEU 66 HB1 LEU 66 -22.391 8.726 -4.215 517 HG LEU 66 HG LEU 66 -24.146 11.024 -3.376 518 HD11 LEU 66 HD11 LEU 66 -22.791 12.330 -4.924 519 HD12 LEU 66 HD12 LEU 66 -21.776 10.923 -5.234 520 HD13 LEU 66 HD13 LEU 66 -21.802 11.655 -3.630 521 HD21 LEU 66 HD21 LEU 66 -25.238 9.556 -4.997 522 HD22 LEU 66 HD22 LEU 66 -23.824 9.648 -6.045 523 HD23 LEU 66 HD23 LEU 66 -24.789 11.090 -5.738 524 H GLU 67 HN GLU 67 -23.118 7.439 -0.696 525 HA GLU 67 HA GLU 67 -21.608 5.231 -1.677 526 HB2 GLU 67 HB2 GLU 67 -21.032 4.777 0.597 527 HB3 GLU 67 HB1 GLU 67 -21.074 6.526 0.413 528 HG2 GLU 67 HG2 GLU 67 -23.172 6.666 1.518 529 HG3 GLU 67 HG1 GLU 67 -23.340 4.914 1.541 530 H MET 68 HN MET 68 -24.839 5.620 -0.434 531 HA MET 68 HA MET 68 -25.223 2.731 -0.299 532 HB2 MET 68 HB2 MET 68 -27.392 3.203 0.645 533 HB3 MET 68 HB1 MET 68 -26.173 4.134 1.501 534 HG2 MET 68 HG2 MET 68 -26.819 6.135 0.299 535 HG3 MET 68 HG1 MET 68 -27.970 5.206 -0.664 536 HE1 MET 68 HE1 MET 68 -30.144 4.051 0.349 537 HE2 MET 68 HE2 MET 68 -30.623 4.171 2.041 538 HE3 MET 68 HE3 MET 68 -29.195 3.238 1.596 539 H SER 69 HN SER 69 -25.503 5.208 -2.506 540 HA SER 69 HA SER 69 -26.467 5.490 -4.527 541 HB2 SER 69 HB2 SER 69 -26.452 2.475 -4.492 542 HB3 SER 69 HB1 SER 69 -26.544 3.498 -5.930 543 HG SER 69 HG SER 69 -24.472 4.409 -5.060 544 H1 MET 1 HT1 MET 1 -6.060 33.441 -10.071 545 HA MET 1 HA MET 1 -8.247 34.389 -10.224 546 HB2 MET 1 HB2 MET 1 -8.587 32.344 -12.422 547 HB3 MET 1 HB1 MET 1 -9.912 33.221 -11.675 548 HG2 MET 1 HG2 MET 1 -8.996 35.321 -12.486 549 HG3 MET 1 HG1 MET 1 -7.638 34.456 -13.208 550 HE1 MET 1 HE1 MET 1 -9.622 36.484 -14.761 551 HE2 MET 1 HE2 MET 1 -9.823 35.624 -16.285 552 HE3 MET 1 HE3 MET 1 -8.235 35.708 -15.524 553 H SER 2 HN SER 2 -9.952 33.491 -9.005 554 HA SER 2 HA SER 2 -9.886 30.667 -8.352 555 HB2 SER 2 HB2 SER 2 -9.505 32.771 -6.203 556 HB3 SER 2 HB1 SER 2 -9.700 31.039 -5.933 557 HG SER 2 HG SER 2 -7.705 31.595 -7.711 558 HA PRO 3 HA PRO 3 -14.066 32.683 -8.203 559 HB2 PRO 3 HB2 PRO 3 -15.163 31.716 -10.425 560 HB3 PRO 3 HB1 PRO 3 -14.018 33.062 -10.495 561 HG2 PRO 3 HG2 PRO 3 -13.597 30.181 -11.147 562 HG3 PRO 3 HG1 PRO 3 -12.922 31.620 -11.929 563 HD2 PRO 3 HD2 PRO 3 -11.631 30.018 -10.015 564 HD3 PRO 3 HD1 PRO 3 -11.128 31.638 -10.532 565 H TYR 4 HN TYR 4 -16.269 31.335 -8.905 566 HA TYR 4 HA TYR 4 -16.679 29.427 -6.935 567 HB2 TYR 4 HB2 TYR 4 -18.786 28.889 -8.179 568 HB3 TYR 4 HB1 TYR 4 -18.546 30.608 -7.893 569 HD1 TYR 4 HD1 TYR 4 -18.802 27.987 -10.417 570 HD2 TYR 4 HD2 TYR 4 -17.958 32.107 -9.768 571 HE1 TYR 4 HE1 TYR 4 -19.082 28.420 -12.821 572 HE2 TYR 4 HE2 TYR 4 -18.236 32.549 -12.168 573 HH TYR 4 HH TYR 4 -19.657 30.344 -14.275 574 H GLY 5 HN GLY 5 -16.777 27.204 -6.900 575 HA2 GLY 5 HA2 GLY 5 -16.834 25.140 -8.306 576 HA3 GLY 5 HA1 GLY 5 -15.488 25.856 -9.185 577 H SER 6 HN SER 6 -13.454 25.724 -8.387 578 HA SER 6 HA SER 6 -11.698 25.071 -7.144 579 HB2 SER 6 HB2 SER 6 -13.634 24.980 -4.824 580 HB3 SER 6 HB1 SER 6 -11.873 24.992 -4.713 581 HG SER 6 HG SER 6 -13.039 27.043 -6.180 582 H ASP 7 HN ASP 7 -11.383 23.175 -8.221 583 HA ASP 7 HA ASP 7 -12.366 20.778 -6.841 584 HB2 ASP 7 HB2 ASP 7 -12.313 19.572 -8.974 585 HB3 ASP 7 HB1 ASP 7 -13.395 20.949 -9.051 586 H THR 8 HN THR 8 -10.735 19.012 -8.404 587 HA THR 8 HA THR 8 -8.658 18.542 -6.765 588 HB THR 8 HB THR 8 -7.553 17.454 -8.859 589 HG1 THR 8 HG1 THR 8 -9.354 18.886 -10.066 590 HG21 THR 8 HG21 THR 8 -10.307 16.642 -7.921 591 HG22 THR 8 HG22 THR 8 -8.790 16.270 -7.093 592 HG23 THR 8 HG23 THR 8 -9.116 15.591 -8.690 593 H THR 9 HN THR 9 -6.962 19.582 -6.159 594 HA THR 9 HA THR 9 -5.666 21.485 -7.966 595 HB THR 9 HB THR 9 -5.462 21.270 -4.952 596 HG1 THR 9 HG1 THR 9 -7.560 21.986 -6.219 597 HG21 THR 9 HG21 THR 9 -4.549 23.539 -5.099 598 HG22 THR 9 HG22 THR 9 -4.683 23.482 -6.857 599 HG23 THR 9 HG23 THR 9 -3.568 22.401 -6.023 600 HA PRO 10 HA PRO 10 -2.375 18.444 -7.913 601 HB2 PRO 10 HB2 PRO 10 -0.850 20.069 -9.710 602 HB3 PRO 10 HB1 PRO 10 -1.801 18.631 -10.080 603 HG2 PRO 10 HG2 PRO 10 -2.399 21.218 -10.916 604 HG3 PRO 10 HG1 PRO 10 -3.516 19.846 -10.909 605 HD2 PRO 10 HD2 PRO 10 -3.271 22.106 -8.995 606 HD3 PRO 10 HD1 PRO 10 -4.704 21.183 -9.499 607 H CYS 11 HN CYS 11 -1.015 18.356 -6.257 608 HA CYS 11 HA CYS 11 0.844 20.586 -5.828 609 HB2 CYS 11 HB2 CYS 11 -1.081 20.762 -4.221 610 HB3 CYS 11 HB1 CYS 11 -0.636 19.183 -3.587 611 H CYS 12 HN CYS 12 2.608 19.826 -4.196 612 HA CYS 12 HA CYS 12 3.094 17.074 -3.871 613 HB2 CYS 12 HB2 CYS 12 5.076 16.912 -5.411 614 HB3 CYS 12 HB1 CYS 12 3.513 16.966 -6.215 615 H PHE 13 HN PHE 13 5.429 16.674 -3.217 616 HA PHE 13 HA PHE 13 7.073 18.800 -2.232 617 HB2 PHE 13 HB2 PHE 13 5.270 19.014 -0.572 618 HB3 PHE 13 HB1 PHE 13 5.326 17.288 -0.248 619 HD1 PHE 13 HD1 PHE 13 7.225 20.441 0.076 620 HD2 PHE 13 HD2 PHE 13 6.817 16.408 1.350 621 HE1 PHE 13 HE1 PHE 13 8.836 20.853 1.885 622 HE2 PHE 13 HE2 PHE 13 8.429 16.809 3.158 623 HZ PHE 13 HZ PHE 13 9.440 19.034 3.430 624 H ALA 14 HN ALA 14 8.640 17.556 -3.319 625 HA ALA 14 HA ALA 14 10.016 15.628 -1.821 626 HB1 ALA 14 HB1 ALA 14 8.147 14.138 -2.369 627 HB2 ALA 14 HB2 ALA 14 9.631 13.599 -3.153 628 HB3 ALA 14 HB3 ALA 14 8.398 14.445 -4.087 629 H TYR 15 HN TYR 15 11.377 14.217 -3.605 630 HA TYR 15 HA TYR 15 12.031 15.648 -5.975 631 HB2 TYR 15 HB2 TYR 15 14.383 16.116 -5.406 632 HB3 TYR 15 HB1 TYR 15 13.291 17.020 -4.370 633 HD1 TYR 15 HD1 TYR 15 15.822 14.392 -4.515 634 HD2 TYR 15 HD2 TYR 15 13.085 16.448 -1.984 635 HE1 TYR 15 HE1 TYR 15 16.990 13.509 -2.539 636 HE2 TYR 15 HE2 TYR 15 14.244 15.569 -0.004 637 HH TYR 15 HH TYR 15 15.694 13.686 0.596 638 H LEU 16 HN LEU 16 13.071 14.330 -7.407 639 HA LEU 16 HA LEU 16 13.218 11.539 -6.620 640 HB2 LEU 16 HB2 LEU 16 12.433 12.845 -8.935 641 HB3 LEU 16 HB1 LEU 16 13.997 12.173 -9.349 642 HG LEU 16 HG LEU 16 11.615 10.618 -8.338 643 HD11 LEU 16 HD11 LEU 16 12.895 10.747 -11.061 644 HD12 LEU 16 HD12 LEU 16 11.311 11.384 -10.616 645 HD13 LEU 16 HD13 LEU 16 11.602 9.645 -10.591 646 HD21 LEU 16 HD21 LEU 16 12.927 8.622 -8.804 647 HD22 LEU 16 HD22 LEU 16 13.725 9.627 -7.594 648 HD23 LEU 16 HD23 LEU 16 14.305 9.622 -9.259 649 H SER 17 HN SER 17 14.987 10.433 -6.325 650 HA SER 17 HA SER 17 17.501 11.730 -6.118 651 HB2 SER 17 HB2 SER 17 16.821 8.789 -6.077 652 HB3 SER 17 HB1 SER 17 18.318 9.513 -5.478 653 HG SER 17 HG SER 17 17.094 10.597 -3.909 654 H LEU 18 HN LEU 18 15.873 9.940 -8.569 655 HA LEU 18 HA LEU 18 18.266 9.648 -10.197 656 HB2 LEU 18 HB2 LEU 18 15.422 8.892 -10.885 657 HB3 LEU 18 HB1 LEU 18 16.878 8.383 -11.712 658 HG LEU 18 HG LEU 18 16.073 7.567 -8.919 659 HD11 LEU 18 HD11 LEU 18 15.733 5.359 -9.900 660 HD12 LEU 18 HD12 LEU 18 16.090 6.012 -11.499 661 HD13 LEU 18 HD13 LEU 18 14.662 6.561 -10.619 662 HD21 LEU 18 HD21 LEU 18 18.411 6.715 -10.624 663 HD22 LEU 18 HD22 LEU 18 17.949 5.992 -9.083 664 HD23 LEU 18 HD23 LEU 18 18.483 7.671 -9.143 665 H ALA 19 HN ALA 19 18.731 11.768 -10.683 666 HA ALA 19 HA ALA 19 16.696 13.532 -11.670 667 HB1 ALA 19 HB1 ALA 19 18.536 14.376 -10.309 668 HB2 ALA 19 HB2 ALA 19 18.479 15.160 -11.889 669 HB3 ALA 19 HB3 ALA 19 19.681 13.908 -11.567 670 H LEU 20 HN LEU 20 15.884 12.956 -13.556 671 HA LEU 20 HA LEU 20 17.257 11.791 -15.685 672 HB2 LEU 20 HB2 LEU 20 15.281 12.632 -17.049 673 HB3 LEU 20 HB1 LEU 20 14.931 11.567 -15.703 674 HG LEU 20 HG LEU 20 14.543 13.847 -14.426 675 HD11 LEU 20 HD11 LEU 20 15.217 15.303 -16.232 676 HD12 LEU 20 HD12 LEU 20 13.506 15.527 -15.862 677 HD13 LEU 20 HD13 LEU 20 13.987 14.602 -17.285 678 HD21 LEU 20 HD21 LEU 20 12.890 12.108 -14.689 679 HD22 LEU 20 HD22 LEU 20 12.580 12.618 -16.348 680 HD23 LEU 20 HD23 LEU 20 12.166 13.685 -15.005 681 HA PRO 21 HA PRO 21 19.802 15.039 -17.206 682 HB2 PRO 21 HB2 PRO 21 19.877 14.230 -19.854 683 HB3 PRO 21 HB1 PRO 21 20.913 13.601 -18.570 684 HG2 PRO 21 HG2 PRO 21 18.408 12.459 -19.722 685 HG3 PRO 21 HG1 PRO 21 19.888 11.630 -19.214 686 HD2 PRO 21 HD2 PRO 21 17.682 11.606 -17.704 687 HD3 PRO 21 HD1 PRO 21 19.300 11.688 -16.975 688 H ARG 22 HN ARG 22 19.860 16.791 -18.723 689 HA ARG 22 HA ARG 22 17.481 18.235 -18.873 690 HB2 ARG 22 HB2 ARG 22 20.006 18.630 -20.483 691 HB3 ARG 22 HB1 ARG 22 18.734 19.824 -20.270 692 HG2 ARG 22 HG2 ARG 22 19.189 19.919 -17.889 693 HG3 ARG 22 HG1 ARG 22 20.418 18.667 -18.059 694 HD2 ARG 22 HD2 ARG 22 20.476 21.398 -19.331 695 HD3 ARG 22 HD1 ARG 22 21.419 20.889 -17.934 696 HE ARG 22 HE ARG 22 21.728 19.645 -20.591 697 HH11 ARG 22 HH11 ARG 22 23.126 21.013 -17.666 698 HH12 ARG 22 HH12 ARG 22 24.752 20.783 -18.196 699 HH21 ARG 22 HH21 ARG 22 23.896 19.344 -21.275 700 HH22 ARG 22 HH22 ARG 22 25.197 19.838 -20.249 701 H ALA 23 HN ALA 23 19.032 16.187 -21.269 702 HA ALA 23 HA ALA 23 17.383 16.979 -23.451 703 HB1 ALA 23 HB1 ALA 23 19.575 15.929 -23.775 704 HB2 ALA 23 HB2 ALA 23 18.299 15.047 -24.613 705 HB3 ALA 23 HB3 ALA 23 18.951 14.425 -23.097 706 H HIS 24 HN HIS 24 16.801 15.032 -20.730 707 HA HIS 24 HA HIS 24 14.692 13.527 -22.052 708 HB2 HIS 24 HB2 HIS 24 16.036 13.295 -19.382 709 HB3 HIS 24 HB1 HIS 24 14.518 12.477 -19.716 710 HD1 HIS 24 HD1 HIS 24 15.296 10.076 -19.848 711 HD2 HIS 24 HD2 HIS 24 17.584 12.637 -22.192 712 HE1 HIS 24 HE1 HIS 24 16.820 8.593 -21.176 713 H VAL 25 HN VAL 25 15.145 16.321 -20.161 714 HA VAL 25 HA VAL 25 12.351 16.330 -19.347 715 HB VAL 25 HB VAL 25 14.360 17.133 -17.862 716 HG11 VAL 25 HG11 VAL 25 14.846 19.510 -17.994 717 HG12 VAL 25 HG12 VAL 25 13.846 19.631 -19.437 718 HG13 VAL 25 HG13 VAL 25 15.334 18.678 -19.477 719 HG21 VAL 25 HG21 VAL 25 11.855 18.784 -18.098 720 HG22 VAL 25 HG22 VAL 25 12.931 18.723 -16.699 721 HG23 VAL 25 HG23 VAL 25 12.038 17.282 -17.190 722 H LYS 26 HN LYS 26 10.898 17.922 -20.076 723 HA LYS 26 HA LYS 26 11.691 19.112 -22.642 724 HB2 LYS 26 HB2 LYS 26 9.911 17.406 -22.761 725 HB3 LYS 26 HB1 LYS 26 8.934 18.358 -21.656 726 HG2 LYS 26 HG2 LYS 26 8.577 20.044 -23.258 727 HG3 LYS 26 HG1 LYS 26 9.861 19.434 -24.304 728 HD2 LYS 26 HD2 LYS 26 7.736 18.816 -25.255 729 HD3 LYS 26 HD1 LYS 26 8.527 17.363 -24.646 730 HE2 LYS 26 HE2 LYS 26 6.304 17.148 -23.958 731 HE3 LYS 26 HE1 LYS 26 7.144 17.724 -22.523 732 HZ1 LYS 26 HZ1 LYS 26 6.354 19.989 -23.042 733 HZ2 LYS 26 HZ2 LYS 26 5.072 18.910 -22.842 734 HZ3 LYS 26 HZ3 LYS 26 5.531 19.382 -24.388 735 H GLU 27 HN GLU 27 9.934 19.736 -19.632 736 HA GLU 27 HA GLU 27 10.636 22.484 -19.658 737 HB2 GLU 27 HB2 GLU 27 8.374 23.418 -19.883 738 HB3 GLU 27 HB1 GLU 27 8.893 22.596 -21.349 739 HG2 GLU 27 HG2 GLU 27 7.629 20.590 -20.482 740 HG3 GLU 27 HG1 GLU 27 6.905 21.697 -19.311 741 H TYR 28 HN TYR 28 9.140 23.658 -17.913 742 HA TYR 28 HA TYR 28 8.430 21.817 -15.773 743 HB2 TYR 28 HB2 TYR 28 9.832 22.772 -14.138 744 HB3 TYR 28 HB1 TYR 28 10.872 22.551 -15.538 745 HD1 TYR 28 HD1 TYR 28 9.684 24.845 -13.089 746 HD2 TYR 28 HD2 TYR 28 11.248 24.633 -17.038 747 HE1 TYR 28 HE1 TYR 28 10.331 27.211 -12.951 748 HE2 TYR 28 HE2 TYR 28 11.901 27.000 -16.911 749 HH TYR 28 HH TYR 28 11.187 29.041 -15.618 750 H PHE 29 HN PHE 29 7.186 22.852 -14.083 751 HA PHE 29 HA PHE 29 6.121 25.496 -14.629 752 HB2 PHE 29 HB2 PHE 29 4.764 23.890 -16.017 753 HB3 PHE 29 HB1 PHE 29 4.304 23.069 -14.534 754 HD1 PHE 29 HD1 PHE 29 4.229 26.438 -16.118 755 HD2 PHE 29 HD2 PHE 29 2.348 23.687 -13.476 756 HE1 PHE 29 HE1 PHE 29 2.317 27.972 -15.892 757 HE2 PHE 29 HE2 PHE 29 0.433 25.215 -13.241 758 HZ PHE 29 HZ PHE 29 0.416 27.360 -14.451 759 H TYR 30 HN TYR 30 5.265 26.438 -12.765 760 HA TYR 30 HA TYR 30 6.082 25.230 -10.294 761 HB2 TYR 30 HB2 TYR 30 4.619 27.804 -10.894 762 HB3 TYR 30 HB1 TYR 30 5.050 27.293 -9.269 763 HD1 TYR 30 HD1 TYR 30 6.323 28.539 -12.464 764 HD2 TYR 30 HD2 TYR 30 7.359 27.340 -8.522 765 HE1 TYR 30 HE1 TYR 30 8.535 29.574 -12.740 766 HE2 TYR 30 HE2 TYR 30 9.575 28.371 -8.784 767 HH TYR 30 HH TYR 30 10.335 30.431 -11.436 768 H THR 31 HN THR 31 4.749 24.715 -8.510 769 HA THR 31 HA THR 31 2.345 23.387 -9.270 770 HB THR 31 HB THR 31 2.169 22.867 -6.812 771 HG1 THR 31 HG1 THR 31 3.392 23.931 -5.474 772 HG21 THR 31 HG21 THR 31 4.076 21.351 -6.806 773 HG22 THR 31 HG22 THR 31 4.817 22.262 -8.123 774 HG23 THR 31 HG23 THR 31 3.313 21.382 -8.396 775 H SER 32 HN SER 32 0.418 23.630 -7.699 776 HA SER 32 HA SER 32 -0.814 26.063 -8.227 777 HB2 SER 32 HB2 SER 32 -1.545 24.089 -6.064 778 HB3 SER 32 HB1 SER 32 -2.618 25.236 -6.867 779 HG SER 32 HG SER 32 -1.673 22.788 -7.722 780 H SER 33 HN SER 33 -0.938 27.947 -7.158 781 HA SER 33 HA SER 33 0.869 28.446 -5.006 782 HB2 SER 33 HB2 SER 33 -1.230 30.276 -6.165 783 HB3 SER 33 HB1 SER 33 0.203 30.746 -5.248 784 HG SER 33 HG SER 33 1.170 29.333 -7.158 785 H LYS 34 HN LYS 34 -1.897 26.876 -4.850 786 HA LYS 34 HA LYS 34 -3.088 28.207 -2.551 787 HB2 LYS 34 HB2 LYS 34 -3.797 25.589 -3.897 788 HB3 LYS 34 HB1 LYS 34 -4.727 26.366 -2.627 789 HG2 LYS 34 HG2 LYS 34 -4.239 27.476 -5.383 790 HG3 LYS 34 HG1 LYS 34 -5.725 26.707 -4.821 791 HD2 LYS 34 HD2 LYS 34 -5.940 28.472 -3.101 792 HD3 LYS 34 HD1 LYS 34 -4.507 29.257 -3.768 793 HE2 LYS 34 HE2 LYS 34 -5.678 29.429 -5.945 794 HE3 LYS 34 HE1 LYS 34 -7.117 28.760 -5.183 795 HZ1 LYS 34 HZ1 LYS 34 -7.212 30.639 -3.718 796 HZ2 LYS 34 HZ2 LYS 34 -7.151 31.187 -5.319 797 HZ3 LYS 34 HZ3 LYS 34 -5.771 31.264 -4.347 798 H CYS 35 HN CYS 35 -0.704 25.945 -3.252 799 HA CYS 35 HA CYS 35 -1.005 24.365 -0.855 800 HB2 CYS 35 HB2 CYS 35 1.254 24.363 -2.857 801 HB3 CYS 35 HB1 CYS 35 0.848 23.093 -1.706 802 H SER 36 HN SER 36 0.679 24.182 0.741 803 HA SER 36 HA SER 36 1.769 26.721 1.508 804 HB2 SER 36 HB2 SER 36 2.203 23.992 2.747 805 HB3 SER 36 HB1 SER 36 2.535 25.550 3.500 806 HG SER 36 HG SER 36 0.287 24.180 3.547 807 H ASN 37 HN ASN 37 2.853 23.838 -0.055 808 HA ASN 37 HA ASN 37 5.614 24.819 -0.015 809 HB2 ASN 37 HB2 ASN 37 5.468 22.579 0.841 810 HB3 ASN 37 HB1 ASN 37 4.509 22.058 -0.541 811 HD21 ASN 37 HD21 ASN 37 5.521 21.487 -2.421 812 HD22 ASN 37 HD22 ASN 37 7.240 21.442 -2.599 813 H LEU 38 HN LEU 38 6.261 25.841 -1.747 814 HA LEU 38 HA LEU 38 4.877 25.460 -4.266 815 HB2 LEU 38 HB2 LEU 38 5.450 27.736 -3.565 816 HB3 LEU 38 HB1 LEU 38 7.148 27.307 -3.524 817 HG LEU 38 HG LEU 38 7.062 26.884 -5.971 818 HD11 LEU 38 HD11 LEU 38 5.150 27.759 -7.241 819 HD12 LEU 38 HD12 LEU 38 4.282 28.021 -5.728 820 HD13 LEU 38 HD13 LEU 38 4.715 26.385 -6.227 821 HD21 LEU 38 HD21 LEU 38 6.982 29.233 -6.624 822 HD22 LEU 38 HD22 LEU 38 7.857 29.007 -5.109 823 HD23 LEU 38 HD23 LEU 38 6.207 29.632 -5.091 824 H ALA 39 HN ALA 39 5.540 24.079 -5.724 825 HA ALA 39 HA ALA 39 8.360 23.295 -5.771 826 HB1 ALA 39 HB1 ALA 39 7.690 20.968 -6.181 827 HB2 ALA 39 HB2 ALA 39 5.999 21.425 -5.967 828 HB3 ALA 39 HB3 ALA 39 7.122 21.540 -4.612 829 H VAL 40 HN VAL 40 8.503 21.754 -7.901 830 HA VAL 40 HA VAL 40 7.029 23.129 -10.017 831 HB VAL 40 HB VAL 40 9.026 23.088 -11.466 832 HG11 VAL 40 HG11 VAL 40 8.458 25.112 -10.272 833 HG12 VAL 40 HG12 VAL 40 10.209 24.943 -10.413 834 HG13 VAL 40 HG13 VAL 40 9.405 24.573 -8.884 835 HG21 VAL 40 HG21 VAL 40 11.238 22.721 -10.498 836 HG22 VAL 40 HG22 VAL 40 10.235 21.275 -10.386 837 HG23 VAL 40 HG23 VAL 40 10.492 22.282 -8.961 838 H VAL 41 HN VAL 41 6.619 21.941 -11.820 839 HA VAL 41 HA VAL 41 6.972 19.049 -11.498 840 HB VAL 41 HB VAL 41 4.785 20.449 -13.048 841 HG11 VAL 41 HG11 VAL 41 3.716 18.232 -12.998 842 HG12 VAL 41 HG12 VAL 41 5.156 17.578 -12.215 843 HG13 VAL 41 HG13 VAL 41 5.258 18.227 -13.853 844 HG21 VAL 41 HG21 VAL 41 4.649 19.227 -10.290 845 HG22 VAL 41 HG22 VAL 41 3.280 19.851 -11.211 846 HG23 VAL 41 HG23 VAL 41 4.551 20.947 -10.669 847 H PHE 42 HN PHE 42 8.226 18.139 -12.935 848 HA PHE 42 HA PHE 42 8.979 19.654 -15.317 849 HB2 PHE 42 HB2 PHE 42 10.221 17.272 -13.961 850 HB3 PHE 42 HB1 PHE 42 10.782 17.909 -15.501 851 HD1 PHE 42 HD1 PHE 42 10.781 18.292 -11.931 852 HD2 PHE 42 HD2 PHE 42 11.694 20.211 -15.609 853 HE1 PHE 42 HE1 PHE 42 12.164 19.929 -10.736 854 HE2 PHE 42 HE2 PHE 42 13.085 21.846 -14.422 855 HZ PHE 42 HZ PHE 42 13.328 21.707 -11.984 856 H VAL 43 HN VAL 43 8.337 19.132 -17.225 857 HA VAL 43 HA VAL 43 6.807 16.672 -17.599 858 HB VAL 43 HB VAL 43 7.222 18.979 -19.511 859 HG11 VAL 43 HG11 VAL 43 6.595 16.865 -20.569 860 HG12 VAL 43 HG12 VAL 43 5.330 18.084 -20.709 861 HG13 VAL 43 HG13 VAL 43 5.169 16.778 -19.530 862 HG21 VAL 43 HG21 VAL 43 4.891 18.458 -17.668 863 HG22 VAL 43 HG22 VAL 43 4.996 19.749 -18.866 864 HG23 VAL 43 HG23 VAL 43 6.089 19.738 -17.481 865 H THR 44 HN THR 44 7.891 14.972 -18.338 866 HA THR 44 HA THR 44 10.544 15.260 -19.414 867 HB THR 44 HB THR 44 10.531 12.802 -19.554 868 HG1 THR 44 HG1 THR 44 8.014 12.730 -18.325 869 HG21 THR 44 HG21 THR 44 10.265 12.341 -17.170 870 HG22 THR 44 HG22 THR 44 9.362 13.842 -16.974 871 HG23 THR 44 HG23 THR 44 11.071 13.892 -17.414 872 H ARG 45 HN ARG 45 11.132 13.929 -21.384 873 HA ARG 45 HA ARG 45 9.687 14.869 -23.641 874 HB2 ARG 45 HB2 ARG 45 11.884 12.802 -23.423 875 HB3 ARG 45 HB1 ARG 45 11.265 13.434 -24.942 876 HG2 ARG 45 HG2 ARG 45 12.565 15.094 -22.792 877 HG3 ARG 45 HG1 ARG 45 13.377 14.488 -24.236 878 HD2 ARG 45 HD2 ARG 45 11.874 15.748 -25.646 879 HD3 ARG 45 HD1 ARG 45 10.965 16.294 -24.240 880 HE ARG 45 HE ARG 45 13.555 17.098 -23.805 881 HH11 ARG 45 HH11 ARG 45 11.089 17.658 -26.242 882 HH12 ARG 45 HH12 ARG 45 11.676 19.228 -26.662 883 HH21 ARG 45 HH21 ARG 45 14.333 19.205 -24.358 884 HH22 ARG 45 HH22 ARG 45 13.527 20.097 -25.601 885 H ARG 46 HN ARG 46 9.239 12.256 -21.587 886 HA ARG 46 HA ARG 46 7.839 10.618 -23.549 887 HB2 ARG 46 HB2 ARG 46 8.585 10.247 -20.661 888 HB3 ARG 46 HB1 ARG 46 7.330 9.254 -21.376 889 HG2 ARG 46 HG2 ARG 46 9.409 8.060 -21.408 890 HG3 ARG 46 HG1 ARG 46 8.956 8.467 -23.060 891 HD2 ARG 46 HD2 ARG 46 10.562 10.223 -23.145 892 HD3 ARG 46 HD1 ARG 46 10.871 10.105 -21.413 893 HE ARG 46 HE ARG 46 11.510 7.646 -22.287 894 HH11 ARG 46 HH11 ARG 46 12.467 10.831 -23.411 895 HH12 ARG 46 HH12 ARG 46 14.041 10.325 -23.908 896 HH21 ARG 46 HH21 ARG 46 13.594 6.982 -22.935 897 HH22 ARG 46 HH22 ARG 46 14.679 8.125 -23.651 898 H ASN 47 HN ASN 47 7.156 13.366 -22.113 899 HA ASN 47 HA ASN 47 5.305 14.542 -21.622 900 HB2 ASN 47 HB2 ASN 47 3.927 12.135 -22.817 901 HB3 ASN 47 HB1 ASN 47 3.034 13.521 -22.203 902 HD21 ASN 47 HD21 ASN 47 5.081 12.316 -24.709 903 HD22 ASN 47 HD22 ASN 47 4.926 13.669 -25.772 904 H ARG 48 HN ARG 48 6.509 12.428 -19.809 905 HA ARG 48 HA ARG 48 4.273 12.051 -17.964 906 HB2 ARG 48 HB2 ARG 48 5.639 10.078 -18.292 907 HB3 ARG 48 HB1 ARG 48 7.103 10.983 -17.934 908 HG2 ARG 48 HG2 ARG 48 6.422 11.263 -15.635 909 HG3 ARG 48 HG1 ARG 48 4.876 10.484 -15.971 910 HD2 ARG 48 HD2 ARG 48 7.545 9.141 -16.336 911 HD3 ARG 48 HD1 ARG 48 6.588 9.027 -14.859 912 HE ARG 48 HE ARG 48 5.098 8.301 -17.190 913 HH11 ARG 48 HH11 ARG 48 7.414 7.117 -14.837 914 HH12 ARG 48 HH12 ARG 48 6.944 5.465 -15.011 915 HH21 ARG 48 HH21 ARG 48 4.462 6.092 -17.414 916 HH22 ARG 48 HH22 ARG 48 5.272 4.879 -16.481 917 H GLN 49 HN GLN 49 4.049 13.267 -16.186 918 HA GLN 49 HA GLN 49 6.029 15.375 -15.830 919 HB2 GLN 49 HB2 GLN 49 3.241 15.149 -14.707 920 HB3 GLN 49 HB1 GLN 49 4.306 16.542 -14.561 921 HG2 GLN 49 HG2 GLN 49 4.322 16.635 -17.085 922 HG3 GLN 49 HG1 GLN 49 3.022 15.452 -17.049 923 HE21 GLN 49 HE21 GLN 49 3.432 17.990 -14.700 924 HE22 GLN 49 HE22 GLN 49 2.027 18.895 -15.142 925 H VAL 50 HN VAL 50 7.085 15.772 -13.977 926 HA VAL 50 HA VAL 50 6.752 13.882 -11.742 927 HB VAL 50 HB VAL 50 8.720 13.287 -13.171 928 HG11 VAL 50 HG11 VAL 50 9.773 15.967 -12.355 929 HG12 VAL 50 HG12 VAL 50 9.281 15.473 -13.974 930 HG13 VAL 50 HG13 VAL 50 10.680 14.714 -13.208 931 HG21 VAL 50 HG21 VAL 50 10.373 13.161 -11.347 932 HG22 VAL 50 HG22 VAL 50 8.757 12.688 -10.821 933 HG23 VAL 50 HG23 VAL 50 9.388 14.281 -10.404 934 H CYS 51 HN CYS 51 7.183 14.773 -9.678 935 HA CYS 51 HA CYS 51 7.204 17.708 -9.650 936 HB2 CYS 51 HB2 CYS 51 6.214 15.660 -7.697 937 HB3 CYS 51 HB1 CYS 51 6.462 17.338 -7.235 938 H ALA 52 HN ALA 52 8.687 18.872 -8.533 939 HA ALA 52 HA ALA 52 10.511 17.552 -6.718 940 HB1 ALA 52 HB1 ALA 52 11.536 18.918 -9.201 941 HB2 ALA 52 HB2 ALA 52 11.569 17.180 -8.900 942 HB3 ALA 52 HB3 ALA 52 12.522 18.270 -7.891 943 H ASN 53 HN ASN 53 11.314 18.936 -5.229 944 HA ASN 53 HA ASN 53 10.183 21.587 -5.200 945 HB2 ASN 53 HB2 ASN 53 11.930 20.139 -3.192 946 HB3 ASN 53 HB1 ASN 53 11.267 21.749 -2.940 947 HD21 ASN 53 HD21 ASN 53 10.051 21.072 -1.134 948 HD22 ASN 53 HD22 ASN 53 8.638 20.108 -1.295 949 HA PRO 54 HA PRO 54 13.540 23.522 -7.289 950 HB2 PRO 54 HB2 PRO 54 13.052 26.085 -6.579 951 HB3 PRO 54 HB1 PRO 54 12.041 25.198 -7.729 952 HG2 PRO 54 HG2 PRO 54 11.629 25.613 -4.787 953 HG3 PRO 54 HG1 PRO 54 10.470 25.869 -6.112 954 HD2 PRO 54 HD2 PRO 54 10.392 23.643 -4.660 955 HD3 PRO 54 HD1 PRO 54 10.151 23.580 -6.422 956 H GLU 55 HN GLU 55 13.622 23.055 -4.027 957 HA GLU 55 HA GLU 55 15.767 24.931 -3.540 958 HB2 GLU 55 HB2 GLU 55 14.482 22.895 -1.736 959 HB3 GLU 55 HB1 GLU 55 15.804 23.949 -1.246 960 HG2 GLU 55 HG2 GLU 55 14.271 25.861 -2.039 961 HG3 GLU 55 HG1 GLU 55 12.988 24.658 -1.933 962 H LYS 56 HN LYS 56 15.570 22.046 -5.010 963 HA LYS 56 HA LYS 56 18.221 21.138 -4.172 964 HB2 LYS 56 HB2 LYS 56 16.127 19.973 -6.005 965 HB3 LYS 56 HB1 LYS 56 17.742 19.294 -5.874 966 HG2 LYS 56 HG2 LYS 56 15.786 19.585 -3.602 967 HG3 LYS 56 HG1 LYS 56 16.102 18.098 -4.501 968 HD2 LYS 56 HD2 LYS 56 18.451 18.187 -3.793 969 HD3 LYS 56 HD1 LYS 56 18.112 19.650 -2.869 970 HE2 LYS 56 HE2 LYS 56 16.526 18.406 -1.490 971 HE3 LYS 56 HE1 LYS 56 16.863 16.944 -2.418 972 HZ1 LYS 56 HZ1 LYS 56 19.145 17.020 -1.665 973 HZ2 LYS 56 HZ2 LYS 56 18.102 17.026 -0.333 974 HZ3 LYS 56 HZ3 LYS 56 18.852 18.455 -0.820 975 H LYS 57 HN LYS 57 20.038 21.362 -5.440 976 HA LYS 57 HA LYS 57 20.003 23.479 -7.289 977 HB2 LYS 57 HB2 LYS 57 21.985 22.882 -5.920 978 HB3 LYS 57 HB1 LYS 57 22.224 21.469 -6.940 979 HG2 LYS 57 HG2 LYS 57 22.655 22.825 -8.855 980 HG3 LYS 57 HG1 LYS 57 22.178 24.287 -7.994 981 HD2 LYS 57 HD2 LYS 57 24.086 23.931 -6.447 982 HD3 LYS 57 HD1 LYS 57 24.583 22.557 -7.438 983 HE2 LYS 57 HE2 LYS 57 24.895 23.993 -9.350 984 HE3 LYS 57 HE1 LYS 57 24.262 25.376 -8.459 985 HZ1 LYS 57 HZ1 LYS 57 26.770 23.903 -7.876 986 HZ2 LYS 57 HZ2 LYS 57 26.149 25.161 -6.934 987 HZ3 LYS 57 HZ3 LYS 57 26.639 25.461 -8.521 988 H TRP 58 HN TRP 58 19.916 19.996 -7.786 989 HA TRP 58 HA TRP 58 20.405 20.039 -10.569 990 HB2 TRP 58 HB2 TRP 58 18.915 18.124 -8.785 991 HB3 TRP 58 HB1 TRP 58 18.936 17.894 -10.529 992 HD1 TRP 58 HD1 TRP 58 21.200 17.687 -7.454 993 HE1 TRP 58 HE1 TRP 58 23.351 16.428 -8.096 994 HE3 TRP 58 HE3 TRP 58 20.483 17.379 -12.504 995 HZ2 TRP 58 HZ2 TRP 58 24.579 15.437 -10.432 996 HZ3 TRP 58 HZ3 TRP 58 22.195 16.257 -13.869 997 HH2 TRP 58 HH2 TRP 58 24.200 15.309 -12.854 998 H VAL 59 HN VAL 59 17.533 20.464 -8.653 999 HA VAL 59 HA VAL 59 15.673 20.611 -10.775 1000 HB VAL 59 HB VAL 59 15.557 21.849 -8.007 1001 HG11 VAL 59 HG11 VAL 59 13.969 22.928 -9.478 1002 HG12 VAL 59 HG12 VAL 59 13.115 21.870 -8.352 1003 HG13 VAL 59 HG13 VAL 59 13.370 21.363 -10.018 1004 HG21 VAL 59 HG21 VAL 59 14.228 19.901 -7.400 1005 HG22 VAL 59 HG22 VAL 59 15.823 19.413 -7.979 1006 HG23 VAL 59 HG23 VAL 59 14.416 19.252 -9.028 1007 H GLN 60 HN GLN 60 17.735 22.902 -9.135 1008 HA GLN 60 HA GLN 60 16.747 25.245 -10.380 1009 HB2 GLN 60 HB2 GLN 60 19.415 24.635 -9.106 1010 HB3 GLN 60 HB1 GLN 60 18.930 26.236 -9.647 1011 HG2 GLN 60 HG2 GLN 60 17.378 24.640 -7.641 1012 HG3 GLN 60 HG1 GLN 60 18.656 25.766 -7.197 1013 HE21 GLN 60 HE21 GLN 60 15.470 25.430 -8.520 1014 HE22 GLN 60 HE22 GLN 60 15.008 27.087 -8.367 1015 H GLU 61 HN GLU 61 19.162 22.848 -11.218 1016 HA GLU 61 HA GLU 61 20.271 24.201 -13.411 1017 HB2 GLU 61 HB2 GLU 61 19.961 21.266 -12.874 1018 HB3 GLU 61 HB1 GLU 61 20.934 21.984 -14.156 1019 HG2 GLU 61 HG2 GLU 61 21.341 22.553 -11.247 1020 HG3 GLU 61 HG1 GLU 61 22.203 21.299 -12.127 1021 H TYR 62 HN TYR 62 17.692 21.861 -13.127 1022 HA TYR 62 HA TYR 62 17.158 21.940 -15.918 1023 HB2 TYR 62 HB2 TYR 62 15.431 20.951 -13.649 1024 HB3 TYR 62 HB1 TYR 62 15.107 20.679 -15.364 1025 HD1 TYR 62 HD1 TYR 62 16.213 19.021 -12.648 1026 HD2 TYR 62 HD2 TYR 62 17.531 19.980 -16.554 1027 HE1 TYR 62 HE1 TYR 62 17.713 17.061 -12.612 1028 HE2 TYR 62 HE2 TYR 62 19.031 18.030 -16.550 1029 HH TYR 62 HH TYR 62 18.794 15.541 -14.456 1030 H ILE 63 HN ILE 63 15.896 23.688 -13.172 1031 HA ILE 63 HA ILE 63 13.811 24.982 -14.574 1032 HB ILE 63 HB ILE 63 15.296 25.663 -12.040 1033 HG12 ILE 63 HG12 ILE 63 12.421 24.878 -12.574 1034 HG13 ILE 63 HG11 ILE 63 13.681 23.809 -11.971 1035 HG21 ILE 63 HG21 ILE 63 14.732 27.789 -13.061 1036 HG22 ILE 63 HG22 ILE 63 13.721 27.497 -11.645 1037 HG23 ILE 63 HG23 ILE 63 13.059 27.269 -13.264 1038 HD11 ILE 63 HD11 ILE 63 12.574 26.228 -10.561 1039 HD12 ILE 63 HD12 ILE 63 13.875 25.203 -9.958 1040 HD13 ILE 63 HD13 ILE 63 12.256 24.539 -10.162 1041 H ASN 64 HN ASN 64 17.171 25.905 -13.893 1042 HA ASN 64 HA ASN 64 16.945 28.438 -15.130 1043 HB2 ASN 64 HB2 ASN 64 19.031 28.812 -14.325 1044 HB3 ASN 64 HB1 ASN 64 18.750 27.302 -13.470 1045 HD21 ASN 64 HD21 ASN 64 19.981 25.671 -13.830 1046 HD22 ASN 64 HD22 ASN 64 21.276 25.589 -14.974 1047 H TYR 65 HN TYR 65 17.789 25.281 -16.316 1048 HA TYR 65 HA TYR 65 18.657 26.293 -18.876 1049 HB2 TYR 65 HB2 TYR 65 18.300 23.555 -17.722 1050 HB3 TYR 65 HB1 TYR 65 18.421 23.745 -19.465 1051 HD1 TYR 65 HD1 TYR 65 20.201 24.143 -16.269 1052 HD2 TYR 65 HD2 TYR 65 20.529 24.286 -20.502 1053 HE1 TYR 65 HE1 TYR 65 22.643 24.181 -16.068 1054 HE2 TYR 65 HE2 TYR 65 22.983 24.324 -20.310 1055 HH TYR 65 HH TYR 65 24.598 23.677 -17.356 1056 H LEU 66 HN LEU 66 15.688 25.003 -17.522 1057 HA LEU 66 HA LEU 66 14.473 24.893 -20.130 1058 HB2 LEU 66 HB2 LEU 66 13.339 24.479 -17.381 1059 HB3 LEU 66 HB1 LEU 66 12.386 24.364 -18.850 1060 HG LEU 66 HG LEU 66 14.774 22.648 -18.210 1061 HD11 LEU 66 HD11 LEU 66 13.136 20.870 -17.852 1062 HD12 LEU 66 HD12 LEU 66 11.830 22.034 -18.060 1063 HD13 LEU 66 HD13 LEU 66 12.940 22.187 -16.699 1064 HD21 LEU 66 HD21 LEU 66 14.385 22.996 -20.613 1065 HD22 LEU 66 HD22 LEU 66 12.722 22.447 -20.418 1066 HD23 LEU 66 HD23 LEU 66 14.058 21.337 -20.132 1067 H GLU 67 HN GLU 67 14.611 27.211 -17.504 1068 HA GLU 67 HA GLU 67 12.428 28.785 -18.368 1069 HB2 GLU 67 HB2 GLU 67 13.299 30.560 -16.985 1070 HB3 GLU 67 HB1 GLU 67 13.518 29.036 -16.139 1071 HG2 GLU 67 HG2 GLU 67 15.849 29.010 -16.667 1072 HG3 GLU 67 HG1 GLU 67 15.678 30.429 -17.694 1073 H MET 68 HN MET 68 15.752 28.556 -19.391 1074 HA MET 68 HA MET 68 15.481 30.824 -21.185 1075 HB2 MET 68 HB2 MET 68 17.796 30.282 -21.876 1076 HB3 MET 68 HB1 MET 68 17.649 30.516 -20.143 1077 HG2 MET 68 HG2 MET 68 17.772 28.140 -19.757 1078 HG3 MET 68 HG1 MET 68 17.707 27.829 -21.493 1079 HE1 MET 68 HE1 MET 68 21.267 29.977 -19.478 1080 HE2 MET 68 HE2 MET 68 19.815 29.487 -18.608 1081 HE3 MET 68 HE3 MET 68 19.727 30.762 -19.824 1082 H SER 69 HN SER 69 14.791 27.551 -21.165 1083 HA SER 69 HA SER 69 14.274 25.974 -22.702 1084 HB2 SER 69 HB2 SER 69 13.221 28.433 -24.098 1085 HB3 SER 69 HB1 SER 69 12.737 26.773 -24.454 1086 HG SER 69 HG SER 69 12.524 27.315 -21.799 Start of MODEL 3 1 H1 MET 1 HT1 MET 1 0.745 2.104 -8.079 2 HA MET 1 HA MET 1 2.227 0.261 -8.215 3 HB2 MET 1 HB2 MET 1 2.637 -0.830 -10.390 4 HB3 MET 1 HB1 MET 1 0.995 -1.087 -9.820 5 HG2 MET 1 HG2 MET 1 0.194 0.641 -11.342 6 HG3 MET 1 HG1 MET 1 1.841 0.915 -11.905 7 HE1 MET 1 HE1 MET 1 2.662 -2.458 -13.713 8 HE2 MET 1 HE2 MET 1 3.015 -2.041 -12.038 9 HE3 MET 1 HE3 MET 1 3.239 -0.842 -13.310 10 H SER 2 HN SER 2 2.132 3.204 -8.534 11 HA SER 2 HA SER 2 4.073 3.845 -10.547 12 HB2 SER 2 HB2 SER 2 3.007 5.541 -8.279 13 HB3 SER 2 HB1 SER 2 3.881 6.119 -9.698 14 HG SER 2 HG SER 2 1.755 6.394 -10.169 15 HA PRO 3 HA PRO 3 7.445 2.754 -7.746 16 HB2 PRO 3 HB2 PRO 3 9.444 3.089 -9.551 17 HB3 PRO 3 HB1 PRO 3 8.416 1.652 -9.526 18 HG2 PRO 3 HG2 PRO 3 8.267 4.059 -11.295 19 HG3 PRO 3 HG1 PRO 3 8.054 2.349 -11.710 20 HD2 PRO 3 HD2 PRO 3 5.975 4.069 -11.343 21 HD3 PRO 3 HD1 PRO 3 5.861 2.328 -11.015 22 H TYR 4 HN TYR 4 7.099 5.622 -9.678 23 HA TYR 4 HA TYR 4 8.923 7.087 -7.903 24 HB2 TYR 4 HB2 TYR 4 7.874 7.846 -10.641 25 HB3 TYR 4 HB1 TYR 4 8.952 8.829 -9.660 26 HD1 TYR 4 HD1 TYR 4 8.823 6.570 -12.313 27 HD2 TYR 4 HD2 TYR 4 11.160 7.522 -8.890 28 HE1 TYR 4 HE1 TYR 4 10.766 5.460 -13.337 29 HE2 TYR 4 HE2 TYR 4 13.108 6.417 -9.903 30 HH TYR 4 HH TYR 4 13.558 4.674 -11.600 31 H GLY 5 HN GLY 5 7.933 8.162 -6.338 32 HA2 GLY 5 HA2 GLY 5 5.122 8.934 -6.739 33 HA3 GLY 5 HA1 GLY 5 5.887 8.661 -5.183 34 H SER 6 HN SER 6 6.364 10.720 -8.029 35 HA SER 6 HA SER 6 6.188 13.074 -6.359 36 HB2 SER 6 HB2 SER 6 8.679 12.517 -7.997 37 HB3 SER 6 HB1 SER 6 8.336 14.006 -7.115 38 HG SER 6 HG SER 6 8.040 12.001 -5.420 39 H ASP 7 HN ASP 7 4.322 13.477 -7.585 40 HA ASP 7 HA ASP 7 4.822 14.838 -10.050 41 HB2 ASP 7 HB2 ASP 7 3.393 13.526 -11.471 42 HB3 ASP 7 HB1 ASP 7 4.632 12.481 -10.799 43 H THR 8 HN THR 8 2.490 15.380 -11.032 44 HA THR 8 HA THR 8 1.394 17.212 -9.283 45 HB THR 8 HB THR 8 -0.559 17.222 -10.963 46 HG1 THR 8 HG1 THR 8 -0.530 15.531 -12.226 47 HG21 THR 8 HG21 THR 8 1.259 18.842 -10.984 48 HG22 THR 8 HG22 THR 8 0.822 18.387 -12.632 49 HG23 THR 8 HG23 THR 8 2.275 17.717 -11.888 50 H THR 9 HN THR 9 0.546 16.660 -7.417 51 HA THR 9 HA THR 9 -1.289 14.414 -7.238 52 HB THR 9 HB THR 9 -0.084 16.182 -5.098 53 HG1 THR 9 HG1 THR 9 1.276 14.627 -6.388 54 HG21 THR 9 HG21 THR 9 -1.667 13.616 -4.875 55 HG22 THR 9 HG22 THR 9 -2.209 15.218 -4.375 56 HG23 THR 9 HG23 THR 9 -0.865 14.441 -3.541 57 HA PRO 10 HA PRO 10 -4.648 17.334 -7.461 58 HB2 PRO 10 HB2 PRO 10 -6.441 15.109 -6.984 59 HB3 PRO 10 HB1 PRO 10 -6.173 16.020 -8.472 60 HG2 PRO 10 HG2 PRO 10 -5.438 13.402 -8.127 61 HG3 PRO 10 HG1 PRO 10 -4.690 14.508 -9.289 62 HD2 PRO 10 HD2 PRO 10 -3.721 13.618 -6.616 63 HD3 PRO 10 HD1 PRO 10 -2.816 13.955 -8.108 64 H CYS 11 HN CYS 11 -4.904 18.561 -5.705 65 HA CYS 11 HA CYS 11 -6.100 17.326 -3.327 66 HB2 CYS 11 HB2 CYS 11 -3.617 17.686 -3.006 67 HB3 CYS 11 HB1 CYS 11 -3.904 19.410 -3.205 68 H CYS 12 HN CYS 12 -7.073 19.068 -1.888 69 HA CYS 12 HA CYS 12 -7.626 21.596 -3.081 70 HB2 CYS 12 HB2 CYS 12 -10.087 21.263 -3.250 71 HB3 CYS 12 HB1 CYS 12 -9.170 20.319 -4.417 72 H PHE 13 HN PHE 13 -9.122 22.892 -1.736 73 HA PHE 13 HA PHE 13 -9.556 22.033 1.003 74 HB2 PHE 13 HB2 PHE 13 -8.194 23.912 1.933 75 HB3 PHE 13 HB1 PHE 13 -7.216 22.690 1.129 76 HD1 PHE 13 HD1 PHE 13 -8.300 26.159 1.116 77 HD2 PHE 13 HD2 PHE 13 -6.202 23.172 -1.073 78 HE1 PHE 13 HE1 PHE 13 -7.290 27.905 -0.291 79 HE2 PHE 13 HE2 PHE 13 -5.189 24.912 -2.482 80 HZ PHE 13 HZ PHE 13 -5.734 27.283 -2.093 81 H ALA 14 HN ALA 14 -11.272 22.879 -1.151 82 HA ALA 14 HA ALA 14 -12.259 25.403 -0.055 83 HB1 ALA 14 HB1 ALA 14 -12.024 24.745 -2.994 84 HB2 ALA 14 HB2 ALA 14 -11.052 25.928 -2.121 85 HB3 ALA 14 HB3 ALA 14 -12.786 26.185 -2.319 86 H TYR 15 HN TYR 15 -14.532 25.712 -1.324 87 HA TYR 15 HA TYR 15 -15.896 23.181 -1.567 88 HB2 TYR 15 HB2 TYR 15 -17.642 23.898 0.124 89 HB3 TYR 15 HB1 TYR 15 -16.096 23.397 0.795 90 HD1 TYR 15 HD1 TYR 15 -18.027 26.430 -0.177 91 HD2 TYR 15 HD2 TYR 15 -14.950 24.805 2.268 92 HE1 TYR 15 HE1 TYR 15 -17.869 28.558 1.030 93 HE2 TYR 15 HE2 TYR 15 -14.785 26.934 3.482 94 HH TYR 15 HH TYR 15 -15.316 29.221 3.269 95 H LEU 16 HN LEU 16 -18.181 23.507 -2.140 96 HA LEU 16 HA LEU 16 -18.585 26.077 -3.480 97 HB2 LEU 16 HB2 LEU 16 -18.054 24.248 -5.084 98 HB3 LEU 16 HB1 LEU 16 -19.436 23.355 -4.484 99 HG LEU 16 HG LEU 16 -20.928 25.152 -5.294 100 HD11 LEU 16 HD11 LEU 16 -18.390 26.316 -6.435 101 HD12 LEU 16 HD12 LEU 16 -19.407 27.030 -5.182 102 HD13 LEU 16 HD13 LEU 16 -20.026 26.850 -6.822 103 HD21 LEU 16 HD21 LEU 16 -20.687 24.656 -7.679 104 HD22 LEU 16 HD22 LEU 16 -20.486 23.206 -6.696 105 HD23 LEU 16 HD23 LEU 16 -19.074 24.010 -7.382 106 H SER 17 HN SER 17 -20.005 27.047 -2.224 107 HA SER 17 HA SER 17 -21.917 25.728 -0.643 108 HB2 SER 17 HB2 SER 17 -21.743 28.592 -1.565 109 HB3 SER 17 HB1 SER 17 -22.872 28.011 -0.336 110 HG SER 17 HG SER 17 -20.244 28.625 -0.113 111 H LEU 18 HN LEU 18 -21.910 26.767 -3.933 112 HA LEU 18 HA LEU 18 -24.756 26.470 -4.290 113 HB2 LEU 18 HB2 LEU 18 -22.477 26.798 -6.245 114 HB3 LEU 18 HB1 LEU 18 -24.137 26.580 -6.750 115 HG LEU 18 HG LEU 18 -24.680 28.692 -5.457 116 HD11 LEU 18 HD11 LEU 18 -22.844 30.239 -5.030 117 HD12 LEU 18 HD12 LEU 18 -21.680 28.995 -5.485 118 HD13 LEU 18 HD13 LEU 18 -22.688 28.779 -4.054 119 HD21 LEU 18 HD21 LEU 18 -23.919 30.133 -7.259 120 HD22 LEU 18 HD22 LEU 18 -24.514 28.597 -7.888 121 HD23 LEU 18 HD23 LEU 18 -22.779 28.895 -7.783 122 H ALA 19 HN ALA 19 -24.351 24.325 -3.118 123 HA ALA 19 HA ALA 19 -23.151 22.162 -4.449 124 HB1 ALA 19 HB1 ALA 19 -25.296 22.111 -2.333 125 HB2 ALA 19 HB2 ALA 19 -23.559 22.198 -2.040 126 HB3 ALA 19 HB3 ALA 19 -24.255 20.764 -2.798 127 H LEU 20 HN LEU 20 -23.760 21.274 -6.243 128 HA LEU 20 HA LEU 20 -26.314 21.608 -7.388 129 HB2 LEU 20 HB2 LEU 20 -25.464 19.845 -9.026 130 HB3 LEU 20 HB1 LEU 20 -24.574 21.347 -8.926 131 HG LEU 20 HG LEU 20 -22.990 20.055 -7.332 132 HD11 LEU 20 HD11 LEU 20 -22.842 17.662 -7.754 133 HD12 LEU 20 HD12 LEU 20 -24.303 17.739 -8.737 134 HD13 LEU 20 HD13 LEU 20 -24.383 18.089 -7.010 135 HD21 LEU 20 HD21 LEU 20 -22.363 20.842 -9.540 136 HD22 LEU 20 HD22 LEU 20 -23.106 19.421 -10.275 137 HD23 LEU 20 HD23 LEU 20 -21.691 19.240 -9.237 138 HA PRO 21 HA PRO 21 -28.775 18.527 -5.471 139 HB2 PRO 21 HB2 PRO 21 -30.120 17.582 -7.720 140 HB3 PRO 21 HB1 PRO 21 -30.589 18.989 -6.763 141 HG2 PRO 21 HG2 PRO 21 -29.052 18.859 -9.317 142 HG3 PRO 21 HG1 PRO 21 -30.277 20.031 -8.800 143 HD2 PRO 21 HD2 PRO 21 -27.680 20.639 -8.759 144 HD3 PRO 21 HD1 PRO 21 -28.773 21.207 -7.478 145 H ARG 22 HN ARG 22 -29.067 16.276 -5.263 146 HA ARG 22 HA ARG 22 -26.827 14.691 -5.742 147 HB2 ARG 22 HB2 ARG 22 -29.668 13.936 -5.091 148 HB3 ARG 22 HB1 ARG 22 -28.371 12.757 -5.193 149 HG2 ARG 22 HG2 ARG 22 -27.190 13.870 -3.381 150 HG3 ARG 22 HG1 ARG 22 -28.445 15.105 -3.308 151 HD2 ARG 22 HD2 ARG 22 -28.998 12.177 -2.947 152 HD3 ARG 22 HD1 ARG 22 -28.605 13.254 -1.610 153 HE ARG 22 HE ARG 22 -30.660 14.530 -2.785 154 HH11 ARG 22 HH11 ARG 22 -30.285 11.163 -1.823 155 HH12 ARG 22 HH12 ARG 22 -31.944 10.977 -1.373 156 HH21 ARG 22 HH21 ARG 22 -32.862 14.263 -2.169 157 HH22 ARG 22 HH22 ARG 22 -33.409 12.729 -1.583 158 H ALA 23 HN ALA 23 -29.715 15.135 -7.629 159 HA ALA 23 HA ALA 23 -29.395 12.982 -9.420 160 HB1 ALA 23 HB1 ALA 23 -30.697 15.649 -9.937 161 HB2 ALA 23 HB2 ALA 23 -31.475 14.258 -9.188 162 HB3 ALA 23 HB3 ALA 23 -30.941 14.171 -10.866 163 H HIS 24 HN HIS 24 -27.706 15.974 -9.167 164 HA HIS 24 HA HIS 24 -26.770 15.890 -11.914 165 HB2 HIS 24 HB2 HIS 24 -26.481 17.849 -9.658 166 HB3 HIS 24 HB1 HIS 24 -25.472 17.959 -11.093 167 HD1 HIS 24 HD1 HIS 24 -26.736 20.345 -11.325 168 HD2 HIS 24 HD2 HIS 24 -29.054 16.953 -11.963 169 HE1 HIS 24 HE1 HIS 24 -28.794 21.152 -12.500 170 H VAL 25 HN VAL 25 -25.783 14.906 -8.772 171 HA VAL 25 HA VAL 25 -23.002 14.699 -9.615 172 HB VAL 25 HB VAL 25 -23.748 15.515 -7.264 173 HG11 VAL 25 HG11 VAL 25 -24.042 13.831 -5.569 174 HG12 VAL 25 HG12 VAL 25 -23.861 12.555 -6.766 175 HG13 VAL 25 HG13 VAL 25 -25.272 13.618 -6.821 176 HG21 VAL 25 HG21 VAL 25 -21.736 14.579 -6.229 177 HG22 VAL 25 HG22 VAL 25 -21.431 15.119 -7.880 178 HG23 VAL 25 HG23 VAL 25 -21.617 13.400 -7.535 179 H LYS 26 HN LYS 26 -21.876 12.658 -9.412 180 HA LYS 26 HA LYS 26 -23.679 10.389 -9.915 181 HB2 LYS 26 HB2 LYS 26 -22.265 11.244 -11.835 182 HB3 LYS 26 HB1 LYS 26 -20.863 10.712 -10.925 183 HG2 LYS 26 HG2 LYS 26 -21.666 8.418 -10.991 184 HG3 LYS 26 HG1 LYS 26 -23.103 8.939 -11.875 185 HD2 LYS 26 HD2 LYS 26 -21.496 8.044 -13.438 186 HD3 LYS 26 HD1 LYS 26 -21.631 9.785 -13.681 187 HE2 LYS 26 HE2 LYS 26 -19.311 9.160 -13.762 188 HE3 LYS 26 HE1 LYS 26 -19.598 10.097 -12.301 189 HZ1 LYS 26 HZ1 LYS 26 -18.243 8.218 -11.726 190 HZ2 LYS 26 HZ2 LYS 26 -19.292 7.153 -12.504 191 HZ3 LYS 26 HZ3 LYS 26 -19.783 7.927 -11.099 192 H GLU 27 HN GLU 27 -20.593 11.396 -8.477 193 HA GLU 27 HA GLU 27 -20.862 9.423 -6.399 194 HB2 GLU 27 HB2 GLU 27 -18.830 8.204 -6.862 195 HB3 GLU 27 HB1 GLU 27 -19.843 8.139 -8.300 196 HG2 GLU 27 HG2 GLU 27 -18.537 9.843 -9.360 197 HG3 GLU 27 HG1 GLU 27 -17.571 10.064 -7.901 198 H TYR 28 HN TYR 28 -18.823 9.507 -4.969 199 HA TYR 28 HA TYR 28 -17.503 12.114 -5.120 200 HB2 TYR 28 HB2 TYR 28 -17.866 12.637 -2.878 201 HB3 TYR 28 HB1 TYR 28 -19.399 11.907 -3.324 202 HD1 TYR 28 HD1 TYR 28 -16.448 11.669 -1.241 203 HD2 TYR 28 HD2 TYR 28 -19.925 9.590 -2.531 204 HE1 TYR 28 HE1 TYR 28 -16.205 10.116 0.640 205 HE2 TYR 28 HE2 TYR 28 -19.690 8.024 -0.647 206 HH TYR 28 HH TYR 28 -17.466 8.600 1.940 207 H PHE 29 HN PHE 29 -15.427 12.137 -4.006 208 HA PHE 29 HA PHE 29 -14.238 9.540 -3.429 209 HB2 PHE 29 HB2 PHE 29 -14.056 9.947 -5.916 210 HB3 PHE 29 HB1 PHE 29 -13.105 11.379 -5.558 211 HD1 PHE 29 HD1 PHE 29 -13.167 7.718 -4.882 212 HD2 PHE 29 HD2 PHE 29 -10.811 11.197 -5.524 213 HE1 PHE 29 HE1 PHE 29 -11.135 6.331 -4.902 214 HE2 PHE 29 HE2 PHE 29 -8.772 9.821 -5.539 215 HZ PHE 29 HZ PHE 29 -8.932 7.382 -5.229 216 H TYR 30 HN TYR 30 -12.429 9.746 -2.059 217 HA TYR 30 HA TYR 30 -12.196 12.326 -0.772 218 HB2 TYR 30 HB2 TYR 30 -10.783 9.706 -0.210 219 HB3 TYR 30 HB1 TYR 30 -10.640 11.155 0.776 220 HD1 TYR 30 HD1 TYR 30 -12.490 8.155 0.206 221 HD2 TYR 30 HD2 TYR 30 -12.799 12.073 1.833 222 HE1 TYR 30 HE1 TYR 30 -14.450 7.452 1.508 223 HE2 TYR 30 HE2 TYR 30 -14.761 11.379 3.143 224 HH TYR 30 HH TYR 30 -15.592 8.214 3.668 225 H THR 31 HN THR 31 -10.176 13.463 -0.494 226 HA THR 31 HA THR 31 -8.751 13.761 -2.892 227 HB THR 31 HB THR 31 -7.130 15.089 -1.357 228 HG1 THR 31 HG1 THR 31 -7.804 15.450 0.671 229 HG21 THR 31 HG21 THR 31 -8.647 16.977 -1.363 230 HG22 THR 31 HG22 THR 31 -10.025 15.898 -1.579 231 HG23 THR 31 HG23 THR 31 -8.823 16.061 -2.859 232 H SER 32 HN SER 32 -6.226 13.886 -2.751 233 HA SER 32 HA SER 32 -5.314 11.229 -2.712 234 HB2 SER 32 HB2 SER 32 -3.691 13.774 -2.783 235 HB3 SER 32 HB1 SER 32 -3.169 12.175 -3.313 236 HG SER 32 HG SER 32 -4.816 14.015 -4.563 237 H SER 33 HN SER 33 -3.230 10.619 -1.528 238 HA SER 33 HA SER 33 -3.821 10.744 1.269 239 HB2 SER 33 HB2 SER 33 -1.446 9.470 -0.085 240 HB3 SER 33 HB1 SER 33 -2.104 9.086 1.506 241 HG SER 33 HG SER 33 -4.132 8.659 0.168 242 H LYS 34 HN LYS 34 -1.632 12.343 -0.881 243 HA LYS 34 HA LYS 34 0.230 13.215 1.099 244 HB2 LYS 34 HB2 LYS 34 -0.384 14.266 -1.662 245 HB3 LYS 34 HB1 LYS 34 0.926 14.865 -0.660 246 HG2 LYS 34 HG2 LYS 34 0.660 12.011 -1.576 247 HG3 LYS 34 HG1 LYS 34 1.640 13.236 -2.383 248 HD2 LYS 34 HD2 LYS 34 2.952 13.518 -0.330 249 HD3 LYS 34 HD1 LYS 34 1.972 12.282 0.459 250 HE2 LYS 34 HE2 LYS 34 2.727 10.625 -1.155 251 HE3 LYS 34 HE1 LYS 34 3.664 11.856 -2.000 252 HZ1 LYS 34 HZ1 LYS 34 5.009 12.139 -0.017 253 HZ2 LYS 34 HZ2 LYS 34 5.050 10.530 -0.537 254 HZ3 LYS 34 HZ3 LYS 34 4.106 10.964 0.796 255 H CYS 35 HN CYS 35 -2.910 14.198 0.221 256 HA CYS 35 HA CYS 35 -2.725 16.948 0.875 257 HB2 CYS 35 HB2 CYS 35 -5.173 15.193 0.919 258 HB3 CYS 35 HB1 CYS 35 -5.133 16.944 0.777 259 H SER 36 HN SER 36 -2.330 17.720 2.817 260 HA SER 36 HA SER 36 -2.652 16.267 5.231 261 HB2 SER 36 HB2 SER 36 -2.341 19.260 4.856 262 HB3 SER 36 HB1 SER 36 -2.030 18.353 6.338 263 HG SER 36 HG SER 36 -0.283 18.914 4.541 264 H ASN 37 HN ASN 37 -4.633 18.374 3.367 265 HA ASN 37 HA ASN 37 -6.679 18.485 5.440 266 HB2 ASN 37 HB2 ASN 37 -6.266 20.622 4.444 267 HB3 ASN 37 HB1 ASN 37 -6.346 19.952 2.819 268 HD21 ASN 37 HD21 ASN 37 -8.312 19.674 1.847 269 HD22 ASN 37 HD22 ASN 37 -9.801 20.194 2.551 270 H LEU 38 HN LEU 38 -8.127 16.926 5.448 271 HA LEU 38 HA LEU 38 -8.531 15.202 3.217 272 HB2 LEU 38 HB2 LEU 38 -8.788 14.556 5.650 273 HB3 LEU 38 HB1 LEU 38 -10.256 15.505 5.688 274 HG LEU 38 HG LEU 38 -10.579 13.016 5.483 275 HD11 LEU 38 HD11 LEU 38 -11.734 14.688 3.269 276 HD12 LEU 38 HD12 LEU 38 -12.378 14.514 4.902 277 HD13 LEU 38 HD13 LEU 38 -12.351 13.128 3.813 278 HD21 LEU 38 HD21 LEU 38 -9.514 13.465 2.699 279 HD22 LEU 38 HD22 LEU 38 -10.260 11.984 3.292 280 HD23 LEU 38 HD23 LEU 38 -8.730 12.534 3.975 281 H ALA 39 HN ALA 39 -9.813 15.555 1.539 282 HA ALA 39 HA ALA 39 -12.192 17.180 1.880 283 HB1 ALA 39 HB1 ALA 39 -11.719 18.495 -0.125 284 HB2 ALA 39 HB2 ALA 39 -10.148 17.708 -0.272 285 HB3 ALA 39 HB3 ALA 39 -10.485 18.751 1.108 286 H VAL 40 HN VAL 40 -13.434 17.116 -0.333 287 HA VAL 40 HA VAL 40 -13.137 14.414 -1.413 288 HB VAL 40 HB VAL 40 -15.622 14.217 -1.510 289 HG11 VAL 40 HG11 VAL 40 -14.298 13.084 0.195 290 HG12 VAL 40 HG12 VAL 40 -15.878 13.566 0.813 291 HG13 VAL 40 HG13 VAL 40 -14.440 14.499 1.241 292 HG21 VAL 40 HG21 VAL 40 -16.956 15.623 -0.017 293 HG22 VAL 40 HG22 VAL 40 -16.188 16.570 -1.292 294 HG23 VAL 40 HG23 VAL 40 -15.527 16.592 0.344 295 H VAL 41 HN VAL 41 -13.784 14.078 -3.436 296 HA VAL 41 HA VAL 41 -14.207 16.464 -5.087 297 HB VAL 41 HB VAL 41 -13.006 13.813 -5.916 298 HG11 VAL 41 HG11 VAL 41 -14.082 15.028 -7.729 299 HG12 VAL 41 HG12 VAL 41 -12.331 15.006 -7.930 300 HG13 VAL 41 HG13 VAL 41 -13.132 16.464 -7.344 301 HG21 VAL 41 HG21 VAL 41 -11.517 14.912 -4.340 302 HG22 VAL 41 HG22 VAL 41 -11.604 16.407 -5.271 303 HG23 VAL 41 HG23 VAL 41 -10.842 14.977 -5.968 304 H PHE 42 HN PHE 42 -16.150 16.553 -5.963 305 HA PHE 42 HA PHE 42 -17.754 14.116 -6.074 306 HB2 PHE 42 HB2 PHE 42 -18.509 17.027 -6.277 307 HB3 PHE 42 HB1 PHE 42 -19.647 15.714 -6.537 308 HD1 PHE 42 HD1 PHE 42 -17.881 17.707 -4.120 309 HD2 PHE 42 HD2 PHE 42 -20.177 14.170 -4.661 310 HE1 PHE 42 HE1 PHE 42 -18.284 17.600 -1.698 311 HE2 PHE 42 HE2 PHE 42 -20.590 14.059 -2.241 312 HZ PHE 42 HZ PHE 42 -19.648 15.777 -0.754 313 H VAL 43 HN VAL 43 -18.175 13.145 -7.890 314 HA VAL 43 HA VAL 43 -17.351 14.458 -10.374 315 HB VAL 43 HB VAL 43 -17.959 11.534 -9.924 316 HG11 VAL 43 HG11 VAL 43 -16.787 11.201 -12.042 317 HG12 VAL 43 HG12 VAL 43 -16.573 12.946 -12.194 318 HG13 VAL 43 HG13 VAL 43 -18.194 12.248 -12.234 319 HG21 VAL 43 HG21 VAL 43 -15.520 11.181 -9.937 320 HG22 VAL 43 HG22 VAL 43 -16.047 12.159 -8.568 321 HG23 VAL 43 HG23 VAL 43 -15.284 12.928 -9.957 322 H THR 44 HN THR 44 -18.896 15.261 -11.571 323 HA THR 44 HA THR 44 -21.661 14.830 -10.993 324 HB THR 44 HB THR 44 -22.057 16.322 -12.940 325 HG1 THR 44 HG1 THR 44 -19.281 16.691 -13.111 326 HG21 THR 44 HG21 THR 44 -21.627 17.280 -10.718 327 HG22 THR 44 HG22 THR 44 -20.966 18.301 -11.997 328 HG23 THR 44 HG23 THR 44 -19.895 17.263 -11.057 329 H ARG 45 HN ARG 45 -23.127 14.592 -13.100 330 HA ARG 45 HA ARG 45 -22.778 11.899 -13.964 331 HB2 ARG 45 HB2 ARG 45 -24.695 13.990 -15.019 332 HB3 ARG 45 HB1 ARG 45 -24.815 12.262 -15.284 333 HG2 ARG 45 HG2 ARG 45 -25.067 13.664 -12.632 334 HG3 ARG 45 HG1 ARG 45 -26.392 13.017 -13.599 335 HD2 ARG 45 HD2 ARG 45 -24.140 11.415 -12.389 336 HD3 ARG 45 HD1 ARG 45 -25.781 11.518 -11.759 337 HE ARG 45 HE ARG 45 -25.397 10.517 -14.484 338 HH11 ARG 45 HH11 ARG 45 -26.161 9.856 -11.117 339 HH12 ARG 45 HH12 ARG 45 -26.854 8.307 -11.437 340 HH21 ARG 45 HH21 ARG 45 -26.316 8.445 -14.912 341 HH22 ARG 45 HH22 ARG 45 -26.948 7.504 -13.608 342 H ARG 46 HN ARG 46 -21.687 14.885 -15.091 343 HA ARG 46 HA ARG 46 -21.253 13.966 -17.834 344 HB2 ARG 46 HB2 ARG 46 -20.668 16.621 -16.515 345 HB3 ARG 46 HB1 ARG 46 -20.433 16.263 -18.219 346 HG2 ARG 46 HG2 ARG 46 -22.770 16.016 -18.565 347 HG3 ARG 46 HG1 ARG 46 -23.090 16.098 -16.832 348 HD2 ARG 46 HD2 ARG 46 -22.213 18.394 -16.810 349 HD3 ARG 46 HD1 ARG 46 -21.977 18.305 -18.556 350 HE ARG 46 HE ARG 46 -24.510 17.796 -18.510 351 HH11 ARG 46 HH11 ARG 46 -22.816 20.075 -16.455 352 HH12 ARG 46 HH12 ARG 46 -24.194 21.091 -16.221 353 HH21 ARG 46 HH21 ARG 46 -26.334 19.127 -18.202 354 HH22 ARG 46 HH22 ARG 46 -26.210 20.547 -17.220 355 H ASN 47 HN ASN 47 -19.803 13.308 -15.096 356 HA ASN 47 HA ASN 47 -17.750 12.584 -14.482 357 HB2 ASN 47 HB2 ASN 47 -17.296 12.856 -17.435 358 HB3 ASN 47 HB1 ASN 47 -15.937 12.527 -16.368 359 HD21 ASN 47 HD21 ASN 47 -18.930 11.309 -17.659 360 HD22 ASN 47 HD22 ASN 47 -18.683 9.661 -17.200 361 H ARG 48 HN ARG 48 -18.547 15.519 -14.719 362 HA ARG 48 HA ARG 48 -15.936 16.811 -14.798 363 HB2 ARG 48 HB2 ARG 48 -17.826 18.028 -15.739 364 HB3 ARG 48 HB1 ARG 48 -18.702 17.904 -14.223 365 HG2 ARG 48 HG2 ARG 48 -16.908 19.265 -13.154 366 HG3 ARG 48 HG1 ARG 48 -16.205 19.496 -14.757 367 HD2 ARG 48 HD2 ARG 48 -18.220 20.579 -15.527 368 HD3 ARG 48 HD1 ARG 48 -19.020 20.251 -13.991 369 HE ARG 48 HE ARG 48 -16.659 22.008 -14.222 370 HH11 ARG 48 HH11 ARG 48 -19.904 21.371 -13.001 371 HH12 ARG 48 HH12 ARG 48 -19.953 22.807 -12.044 372 HH21 ARG 48 HH21 ARG 48 -16.744 23.905 -12.957 373 HH22 ARG 48 HH22 ARG 48 -18.160 24.253 -12.017 374 H GLN 49 HN GLN 49 -14.735 17.232 -13.045 375 HA GLN 49 HA GLN 49 -15.762 16.250 -10.497 376 HB2 GLN 49 HB2 GLN 49 -12.941 16.950 -11.292 377 HB3 GLN 49 HB1 GLN 49 -13.445 16.228 -9.774 378 HG2 GLN 49 HG2 GLN 49 -14.235 14.254 -10.976 379 HG3 GLN 49 HG1 GLN 49 -13.702 14.975 -12.494 380 HE21 GLN 49 HE21 GLN 49 -11.944 15.387 -9.543 381 HE22 GLN 49 HE22 GLN 49 -10.587 14.401 -9.971 382 H VAL 50 HN VAL 50 -15.645 17.376 -8.616 383 HA VAL 50 HA VAL 50 -14.828 20.176 -8.629 384 HB VAL 50 HB VAL 50 -17.302 20.071 -9.110 385 HG11 VAL 50 HG11 VAL 50 -17.483 18.848 -6.387 386 HG12 VAL 50 HG12 VAL 50 -17.791 18.037 -7.921 387 HG13 VAL 50 HG13 VAL 50 -18.842 19.358 -7.394 388 HG21 VAL 50 HG21 VAL 50 -17.981 21.682 -7.392 389 HG22 VAL 50 HG22 VAL 50 -16.360 22.026 -7.998 390 HG23 VAL 50 HG23 VAL 50 -16.568 21.242 -6.432 391 H CYS 51 HN CYS 51 -14.166 20.859 -6.527 392 HA CYS 51 HA CYS 51 -13.870 18.635 -4.614 393 HB2 CYS 51 HB2 CYS 51 -12.140 20.980 -5.261 394 HB3 CYS 51 HB1 CYS 51 -12.039 20.215 -3.683 395 H ALA 52 HN ALA 52 -14.335 18.905 -2.457 396 HA ALA 52 HA ALA 52 -15.103 21.529 -1.550 397 HB1 ALA 52 HB1 ALA 52 -17.188 20.642 -2.477 398 HB2 ALA 52 HB2 ALA 52 -17.283 20.871 -0.729 399 HB3 ALA 52 HB3 ALA 52 -17.066 19.251 -1.396 400 H ASN 53 HN ASN 53 -15.311 21.747 0.651 401 HA ASN 53 HA ASN 53 -13.533 20.021 2.124 402 HB2 ASN 53 HB2 ASN 53 -13.658 22.633 2.115 403 HB3 ASN 53 HB1 ASN 53 -14.975 22.400 3.258 404 HD21 ASN 53 HD21 ASN 53 -11.581 22.195 2.714 405 HD22 ASN 53 HD22 ASN 53 -11.122 21.900 4.355 406 HA PRO 54 HA PRO 54 -16.876 17.670 3.800 407 HB2 PRO 54 HB2 PRO 54 -15.569 16.318 5.703 408 HB3 PRO 54 HB1 PRO 54 -15.225 16.054 3.989 409 HG2 PRO 54 HG2 PRO 54 -13.765 17.770 5.959 410 HG3 PRO 54 HG1 PRO 54 -13.102 16.583 4.816 411 HD2 PRO 54 HD2 PRO 54 -13.124 19.237 4.300 412 HD3 PRO 54 HD1 PRO 54 -13.308 18.022 3.024 413 H GLU 55 HN GLU 55 -15.575 20.287 5.430 414 HA GLU 55 HA GLU 55 -16.752 19.748 7.977 415 HB2 GLU 55 HB2 GLU 55 -15.682 22.310 6.815 416 HB3 GLU 55 HB1 GLU 55 -16.270 22.151 8.461 417 HG2 GLU 55 HG2 GLU 55 -14.538 20.348 8.773 418 HG3 GLU 55 HG1 GLU 55 -13.871 20.850 7.220 419 H LYS 56 HN LYS 56 -18.035 20.694 5.026 420 HA LYS 56 HA LYS 56 -20.177 22.243 6.239 421 HB2 LYS 56 HB2 LYS 56 -19.611 21.639 3.332 422 HB3 LYS 56 HB1 LYS 56 -20.968 22.605 3.902 423 HG2 LYS 56 HG2 LYS 56 -19.141 24.018 5.076 424 HG3 LYS 56 HG1 LYS 56 -18.048 23.237 3.936 425 HD2 LYS 56 HD2 LYS 56 -18.746 25.342 3.002 426 HD3 LYS 56 HD1 LYS 56 -19.518 24.049 2.083 427 HE2 LYS 56 HE2 LYS 56 -21.610 24.452 3.047 428 HE3 LYS 56 HE1 LYS 56 -20.920 25.347 4.398 429 HZ1 LYS 56 HZ1 LYS 56 -22.025 26.796 2.802 430 HZ2 LYS 56 HZ2 LYS 56 -20.975 26.300 1.574 431 HZ3 LYS 56 HZ3 LYS 56 -20.379 27.145 2.910 432 H LYS 57 HN LYS 57 -22.210 21.648 6.434 433 HA LYS 57 HA LYS 57 -22.873 19.013 6.934 434 HB2 LYS 57 HB2 LYS 57 -24.033 21.067 7.774 435 HB3 LYS 57 HB1 LYS 57 -24.785 21.232 6.197 436 HG2 LYS 57 HG2 LYS 57 -26.358 20.236 7.683 437 HG3 LYS 57 HG1 LYS 57 -25.834 19.002 6.536 438 HD2 LYS 57 HD2 LYS 57 -24.393 18.004 8.163 439 HD3 LYS 57 HD1 LYS 57 -24.649 19.340 9.286 440 HE2 LYS 57 HE2 LYS 57 -27.013 18.727 9.467 441 HE3 LYS 57 HE1 LYS 57 -26.752 17.395 8.344 442 HZ1 LYS 57 HZ1 LYS 57 -26.745 16.669 10.653 443 HZ2 LYS 57 HZ2 LYS 57 -25.436 17.682 10.987 444 HZ3 LYS 57 HZ3 LYS 57 -25.253 16.387 9.917 445 H TRP 58 HN TRP 58 -23.502 20.949 4.049 446 HA TRP 58 HA TRP 58 -25.184 19.134 2.720 447 HB2 TRP 58 HB2 TRP 58 -23.325 21.233 1.592 448 HB3 TRP 58 HB1 TRP 58 -24.532 20.366 0.648 449 HD1 TRP 58 HD1 TRP 58 -24.104 23.398 2.741 450 HE1 TRP 58 HE1 TRP 58 -26.381 24.531 3.135 451 HE3 TRP 58 HE3 TRP 58 -27.167 19.657 1.087 452 HZ2 TRP 58 HZ2 TRP 58 -29.111 23.915 2.797 453 HZ3 TRP 58 HZ3 TRP 58 -29.600 20.008 1.157 454 HH2 TRP 58 HH2 TRP 58 -30.549 22.093 1.995 455 H VAL 59 HN VAL 59 -21.723 19.523 2.758 456 HA VAL 59 HA VAL 59 -21.123 17.697 0.696 457 HB VAL 59 HB VAL 59 -19.445 18.529 3.080 458 HG11 VAL 59 HG11 VAL 59 -17.523 17.813 1.737 459 HG12 VAL 59 HG12 VAL 59 -18.621 17.215 0.495 460 HG13 VAL 59 HG13 VAL 59 -18.609 16.469 2.093 461 HG21 VAL 59 HG21 VAL 59 -18.410 20.112 1.533 462 HG22 VAL 59 HG22 VAL 59 -20.143 20.409 1.681 463 HG23 VAL 59 HG23 VAL 59 -19.507 19.588 0.256 464 H GLN 60 HN GLN 60 -21.553 17.399 4.148 465 HA GLN 60 HA GLN 60 -20.762 14.691 4.365 466 HB2 GLN 60 HB2 GLN 60 -22.596 16.308 6.140 467 HB3 GLN 60 HB1 GLN 60 -21.859 14.768 6.564 468 HG2 GLN 60 HG2 GLN 60 -20.280 17.225 5.875 469 HG3 GLN 60 HG1 GLN 60 -20.761 16.807 7.515 470 HE21 GLN 60 HE21 GLN 60 -18.741 15.973 4.826 471 HE22 GLN 60 HE22 GLN 60 -17.694 14.905 5.694 472 H GLU 61 HN GLU 61 -23.850 16.322 3.870 473 HA GLU 61 HA GLU 61 -25.455 14.026 4.014 474 HB2 GLU 61 HB2 GLU 61 -25.901 16.534 2.410 475 HB3 GLU 61 HB1 GLU 61 -27.126 15.345 2.838 476 HG2 GLU 61 HG2 GLU 61 -25.577 17.057 4.748 477 HG3 GLU 61 HG1 GLU 61 -27.246 17.297 4.253 478 H TYR 62 HN TYR 62 -23.944 15.684 1.292 479 HA TYR 62 HA TYR 62 -24.978 13.884 -0.638 480 HB2 TYR 62 HB2 TYR 62 -22.763 15.906 -0.707 481 HB3 TYR 62 HB1 TYR 62 -23.022 14.814 -2.067 482 HD1 TYR 62 HD1 TYR 62 -24.601 17.474 -0.035 483 HD2 TYR 62 HD2 TYR 62 -24.809 15.156 -3.588 484 HE1 TYR 62 HE1 TYR 62 -26.374 18.949 -0.883 485 HE2 TYR 62 HE2 TYR 62 -26.582 16.624 -4.447 486 HH TYR 62 HH TYR 62 -27.298 19.613 -3.143 487 H ILE 63 HN ILE 63 -22.023 13.943 1.239 488 HA ILE 63 HA ILE 63 -20.765 11.722 0.046 489 HB ILE 63 HB ILE 63 -20.643 12.891 2.822 490 HG12 ILE 63 HG12 ILE 63 -18.553 12.646 0.647 491 HG13 ILE 63 HG11 ILE 63 -19.523 14.081 0.966 492 HG21 ILE 63 HG21 ILE 63 -20.356 10.515 3.140 493 HG22 ILE 63 HG22 ILE 63 -18.817 11.346 3.381 494 HG23 ILE 63 HG23 ILE 63 -19.120 10.465 1.882 495 HD11 ILE 63 HD11 ILE 63 -17.334 14.346 1.925 496 HD12 ILE 63 HD12 ILE 63 -17.501 12.831 2.811 497 HD13 ILE 63 HD13 ILE 63 -18.524 14.208 3.218 498 H ASN 64 HN ASN 64 -23.059 11.971 2.714 499 HA ASN 64 HA ASN 64 -23.110 9.206 3.292 500 HB2 ASN 64 HB2 ASN 64 -24.143 10.013 5.098 501 HB3 ASN 64 HB1 ASN 64 -24.304 11.582 4.331 502 HD21 ASN 64 HD21 ASN 64 -26.214 12.135 3.380 503 HD22 ASN 64 HD22 ASN 64 -27.693 11.288 3.675 504 H TYR 65 HN TYR 65 -24.965 11.208 1.114 505 HA TYR 65 HA TYR 65 -26.842 9.145 0.466 506 HB2 TYR 65 HB2 TYR 65 -26.176 11.773 -0.847 507 HB3 TYR 65 HB1 TYR 65 -27.369 10.665 -1.506 508 HD1 TYR 65 HD1 TYR 65 -27.157 13.591 0.156 509 HD2 TYR 65 HD2 TYR 65 -28.968 9.774 0.659 510 HE1 TYR 65 HE1 TYR 65 -28.860 14.601 1.606 511 HE2 TYR 65 HE2 TYR 65 -30.680 10.778 2.115 512 HH TYR 65 HH TYR 65 -30.882 12.807 3.580 513 H LEU 66 HN LEU 66 -23.827 10.297 -0.923 514 HA LEU 66 HA LEU 66 -24.089 8.555 -3.196 515 HB2 LEU 66 HB2 LEU 66 -21.836 10.315 -2.279 516 HB3 LEU 66 HB1 LEU 66 -21.767 9.332 -3.730 517 HG LEU 66 HG LEU 66 -23.741 11.541 -3.202 518 HD11 LEU 66 HD11 LEU 66 -21.502 12.398 -3.507 519 HD12 LEU 66 HD12 LEU 66 -22.482 12.740 -4.932 520 HD13 LEU 66 HD13 LEU 66 -21.304 11.430 -4.967 521 HD21 LEU 66 HD21 LEU 66 -24.393 11.242 -5.518 522 HD22 LEU 66 HD22 LEU 66 -24.618 9.736 -4.639 523 HD23 LEU 66 HD23 LEU 66 -23.228 9.934 -5.706 524 H GLU 67 HN GLU 67 -22.727 8.251 -0.031 525 HA GLU 67 HA GLU 67 -21.014 6.059 -0.735 526 HB2 GLU 67 HB2 GLU 67 -20.639 5.749 1.611 527 HB3 GLU 67 HB1 GLU 67 -20.691 7.481 1.325 528 HG2 GLU 67 HG2 GLU 67 -22.972 7.558 2.167 529 HG3 GLU 67 HG1 GLU 67 -22.943 5.819 2.428 530 H MET 68 HN MET 68 -24.334 6.446 0.260 531 HA MET 68 HA MET 68 -24.745 3.580 0.490 532 HB2 MET 68 HB2 MET 68 -27.072 4.151 1.028 533 HB3 MET 68 HB1 MET 68 -25.945 5.032 2.048 534 HG2 MET 68 HG2 MET 68 -26.264 7.032 0.682 535 HG3 MET 68 HG1 MET 68 -27.365 6.137 -0.365 536 HE1 MET 68 HE1 MET 68 -29.763 5.346 0.324 537 HE2 MET 68 HE2 MET 68 -30.436 5.504 1.945 538 HE3 MET 68 HE3 MET 68 -29.088 4.405 1.654 539 H SER 69 HN SER 69 -24.781 5.934 -1.903 540 HA SER 69 HA SER 69 -25.360 5.995 -4.090 541 HB2 SER 69 HB2 SER 69 -23.996 3.888 -4.069 542 HB3 SER 69 HB1 SER 69 -25.493 2.977 -3.887 543 HG SER 69 HG SER 69 -24.418 4.205 -6.099 544 H1 MET 1 HT1 MET 1 -10.074 27.315 -17.669 545 HA MET 1 HA MET 1 -11.381 29.795 -18.607 546 HB2 MET 1 HB2 MET 1 -12.720 28.299 -20.030 547 HB3 MET 1 HB1 MET 1 -11.013 28.235 -20.444 548 HG2 MET 1 HG2 MET 1 -10.763 26.132 -19.308 549 HG3 MET 1 HG1 MET 1 -12.418 26.216 -18.710 550 HE1 MET 1 HE1 MET 1 -14.552 25.862 -20.175 551 HE2 MET 1 HE2 MET 1 -14.529 25.727 -21.933 552 HE3 MET 1 HE3 MET 1 -14.072 27.243 -21.160 553 H SER 2 HN SER 2 -11.107 27.967 -16.008 554 HA SER 2 HA SER 2 -13.948 27.498 -15.575 555 HB2 SER 2 HB2 SER 2 -11.569 26.764 -13.855 556 HB3 SER 2 HB1 SER 2 -13.236 26.241 -13.603 557 HG SER 2 HG SER 2 -11.887 24.695 -14.720 558 HA PRO 3 HA PRO 3 -13.900 31.420 -13.358 559 HB2 PRO 3 HB2 PRO 3 -16.559 31.759 -13.270 560 HB3 PRO 3 HB1 PRO 3 -15.651 31.978 -14.770 561 HG2 PRO 3 HG2 PRO 3 -17.284 29.638 -13.873 562 HG3 PRO 3 HG1 PRO 3 -17.199 30.396 -15.473 563 HD2 PRO 3 HD2 PRO 3 -15.846 28.108 -14.777 564 HD3 PRO 3 HD1 PRO 3 -15.325 29.218 -16.059 565 H TYR 4 HN TYR 4 -13.746 28.761 -12.022 566 HA TYR 4 HA TYR 4 -15.158 29.454 -9.542 567 HB2 TYR 4 HB2 TYR 4 -14.765 26.656 -10.638 568 HB3 TYR 4 HB1 TYR 4 -15.539 27.066 -9.111 569 HD1 TYR 4 HD1 TYR 4 -15.956 26.689 -12.673 570 HD2 TYR 4 HD2 TYR 4 -17.734 28.286 -9.157 571 HE1 TYR 4 HE1 TYR 4 -18.114 26.829 -13.837 572 HE2 TYR 4 HE2 TYR 4 -19.899 28.430 -10.312 573 HH TYR 4 HH TYR 4 -20.724 28.594 -12.642 574 H GLY 5 HN GLY 5 -14.129 27.866 -7.746 575 HA2 GLY 5 HA2 GLY 5 -11.248 27.602 -8.143 576 HA3 GLY 5 HA1 GLY 5 -11.771 28.751 -6.919 577 H SER 6 HN SER 6 -13.335 25.712 -7.692 578 HA SER 6 HA SER 6 -12.374 24.577 -5.180 579 HB2 SER 6 HB2 SER 6 -15.301 24.647 -5.961 580 HB3 SER 6 HB1 SER 6 -14.622 23.920 -4.504 581 HG SER 6 HG SER 6 -15.386 25.953 -3.966 582 H ASP 7 HN ASP 7 -11.107 23.430 -6.857 583 HA ASP 7 HA ASP 7 -12.432 20.943 -7.512 584 HB2 ASP 7 HB2 ASP 7 -11.860 20.949 -9.851 585 HB3 ASP 7 HB1 ASP 7 -12.820 22.382 -9.507 586 H THR 8 HN THR 8 -10.675 19.587 -8.833 587 HA THR 8 HA THR 8 -8.662 19.028 -6.986 588 HB THR 8 HB THR 8 -7.720 17.632 -8.955 589 HG1 THR 8 HG1 THR 8 -9.202 19.073 -10.386 590 HG21 THR 8 HG21 THR 8 -9.045 16.698 -7.119 591 HG22 THR 8 HG22 THR 8 -9.481 15.950 -8.657 592 HG23 THR 8 HG23 THR 8 -10.531 17.174 -7.944 593 H THR 9 HN THR 9 -7.081 20.384 -6.536 594 HA THR 9 HA THR 9 -5.807 21.942 -8.624 595 HB THR 9 HB THR 9 -5.349 21.873 -5.635 596 HG1 THR 9 HG1 THR 9 -7.414 22.762 -6.805 597 HG21 THR 9 HG21 THR 9 -4.440 23.938 -7.648 598 HG22 THR 9 HG22 THR 9 -3.408 22.662 -7.006 599 HG23 THR 9 HG23 THR 9 -4.065 23.887 -5.923 600 HA PRO 10 HA PRO 10 -2.543 18.900 -8.851 601 HB2 PRO 10 HB2 PRO 10 -1.176 20.666 -10.685 602 HB3 PRO 10 HB1 PRO 10 -2.020 19.153 -11.034 603 HG2 PRO 10 HG2 PRO 10 -2.880 21.628 -11.865 604 HG3 PRO 10 HG1 PRO 10 -3.928 20.214 -11.664 605 HD2 PRO 10 HD2 PRO 10 -3.528 22.555 -9.862 606 HD3 PRO 10 HD1 PRO 10 -5.001 21.630 -10.227 607 H CYS 11 HN CYS 11 -1.423 19.019 -6.961 608 HA CYS 11 HA CYS 11 0.560 21.174 -6.745 609 HB2 CYS 11 HB2 CYS 11 -1.427 21.522 -5.215 610 HB3 CYS 11 HB1 CYS 11 -0.965 20.037 -4.395 611 H CYS 12 HN CYS 12 2.303 20.540 -5.100 612 HA CYS 12 HA CYS 12 2.683 17.774 -4.589 613 HB2 CYS 12 HB2 CYS 12 4.665 17.490 -6.078 614 HB3 CYS 12 HB1 CYS 12 3.133 17.618 -6.935 615 H PHE 13 HN PHE 13 4.615 17.313 -3.485 616 HA PHE 13 HA PHE 13 6.510 19.354 -2.878 617 HB2 PHE 13 HB2 PHE 13 6.080 18.997 -0.314 618 HB3 PHE 13 HB1 PHE 13 5.116 20.169 -1.199 619 HD1 PHE 13 HD1 PHE 13 5.097 16.826 0.358 620 HD2 PHE 13 HD2 PHE 13 2.767 19.876 -1.483 621 HE1 PHE 13 HE1 PHE 13 3.042 15.717 1.123 622 HE2 PHE 13 HE2 PHE 13 0.711 18.769 -0.720 623 HZ PHE 13 HZ PHE 13 0.847 16.689 0.584 624 H ALA 14 HN ALA 14 7.605 17.610 -4.021 625 HA ALA 14 HA ALA 14 8.894 15.821 -2.195 626 HB1 ALA 14 HB1 ALA 14 7.177 14.712 -4.426 627 HB2 ALA 14 HB2 ALA 14 6.897 14.503 -2.698 628 HB3 ALA 14 HB3 ALA 14 8.311 13.774 -3.457 629 H TYR 15 HN TYR 15 10.315 14.290 -3.755 630 HA TYR 15 HA TYR 15 11.015 15.450 -6.255 631 HB2 TYR 15 HB2 TYR 15 13.304 16.119 -5.707 632 HB3 TYR 15 HB1 TYR 15 12.147 17.062 -4.780 633 HD1 TYR 15 HD1 TYR 15 14.820 14.573 -4.626 634 HD2 TYR 15 HD2 TYR 15 11.945 16.740 -2.361 635 HE1 TYR 15 HE1 TYR 15 16.005 13.973 -2.558 636 HE2 TYR 15 HE2 TYR 15 13.121 16.144 -0.291 637 HH TYR 15 HH TYR 15 14.640 14.423 0.519 638 H LEU 16 HN LEU 16 12.377 14.164 -7.442 639 HA LEU 16 HA LEU 16 12.650 11.449 -6.464 640 HB2 LEU 16 HB2 LEU 16 11.732 11.764 -8.690 641 HB3 LEU 16 HB1 LEU 16 13.128 12.704 -9.170 642 HG LEU 16 HG LEU 16 14.541 10.744 -9.107 643 HD11 LEU 16 HD11 LEU 16 12.091 9.282 -8.140 644 HD12 LEU 16 HD12 LEU 16 13.573 9.585 -7.230 645 HD13 LEU 16 HD13 LEU 16 13.604 8.524 -8.638 646 HD21 LEU 16 HD21 LEU 16 13.500 9.435 -10.894 647 HD22 LEU 16 HD22 LEU 16 13.292 11.166 -11.158 648 HD23 LEU 16 HD23 LEU 16 11.948 10.199 -10.551 649 H SER 17 HN SER 17 14.439 10.683 -5.660 650 HA SER 17 HA SER 17 16.707 12.252 -5.204 651 HB2 SER 17 HB2 SER 17 16.381 9.258 -5.092 652 HB3 SER 17 HB1 SER 17 17.729 10.156 -4.384 653 HG SER 17 HG SER 17 14.978 10.446 -3.716 654 H LEU 18 HN LEU 18 15.954 9.935 -7.726 655 HA LEU 18 HA LEU 18 18.614 10.210 -8.864 656 HB2 LEU 18 HB2 LEU 18 16.261 8.492 -9.677 657 HB3 LEU 18 HB1 LEU 18 17.756 8.577 -10.581 658 HG LEU 18 HG LEU 18 18.911 7.749 -8.453 659 HD11 LEU 18 HD11 LEU 18 17.523 6.477 -6.903 660 HD12 LEU 18 HD12 LEU 18 16.073 7.045 -7.731 661 HD13 LEU 18 HD13 LEU 18 17.110 8.192 -6.883 662 HD21 LEU 18 HD21 LEU 18 18.360 5.418 -8.949 663 HD22 LEU 18 HD22 LEU 18 18.590 6.362 -10.421 664 HD23 LEU 18 HD23 LEU 18 16.961 5.950 -9.882 665 H ALA 19 HN ALA 19 18.576 12.320 -9.522 666 HA ALA 19 HA ALA 19 16.437 13.420 -11.028 667 HB1 ALA 19 HB1 ALA 19 19.263 14.422 -10.730 668 HB2 ALA 19 HB2 ALA 19 17.928 14.761 -9.629 669 HB3 ALA 19 HB3 ALA 19 17.870 15.355 -11.290 670 H LEU 20 HN LEU 20 16.056 13.361 -13.120 671 HA LEU 20 HA LEU 20 17.774 11.802 -14.816 672 HB2 LEU 20 HB2 LEU 20 15.961 12.207 -16.527 673 HB3 LEU 20 HB1 LEU 20 15.481 11.337 -15.088 674 HG LEU 20 HG LEU 20 14.667 13.682 -14.261 675 HD11 LEU 20 HD11 LEU 20 13.869 15.131 -16.052 676 HD12 LEU 20 HD12 LEU 20 14.662 14.100 -17.244 677 HD13 LEU 20 HD13 LEU 20 15.628 14.991 -16.068 678 HD21 LEU 20 HD21 LEU 20 13.215 11.783 -14.671 679 HD22 LEU 20 HD22 LEU 20 13.221 12.130 -16.400 680 HD23 LEU 20 HD23 LEU 20 12.479 13.268 -15.275 681 HA PRO 21 HA PRO 21 20.084 15.065 -16.641 682 HB2 PRO 21 HB2 PRO 21 20.426 14.023 -19.159 683 HB3 PRO 21 HB1 PRO 21 21.355 13.526 -17.744 684 HG2 PRO 21 HG2 PRO 21 18.978 12.224 -19.000 685 HG3 PRO 21 HG1 PRO 21 20.454 11.479 -18.360 686 HD2 PRO 21 HD2 PRO 21 18.156 11.477 -16.978 687 HD3 PRO 21 HD1 PRO 21 19.729 11.637 -16.168 688 H ARG 22 HN ARG 22 20.044 16.700 -18.270 689 HA ARG 22 HA ARG 22 17.525 17.783 -18.808 690 HB2 ARG 22 HB2 ARG 22 20.213 18.378 -20.037 691 HB3 ARG 22 HB1 ARG 22 18.770 19.313 -20.386 692 HG2 ARG 22 HG2 ARG 22 18.597 19.941 -18.039 693 HG3 ARG 22 HG1 ARG 22 20.027 18.974 -17.672 694 HD2 ARG 22 HD2 ARG 22 19.975 21.286 -19.605 695 HD3 ARG 22 HD1 ARG 22 20.488 21.406 -17.923 696 HE ARG 22 HE ARG 22 22.073 19.456 -18.819 697 HH11 ARG 22 HH11 ARG 22 21.287 22.559 -20.279 698 HH12 ARG 22 HH12 ARG 22 22.847 22.759 -20.991 699 HH21 ARG 22 HH21 ARG 22 24.149 19.738 -19.771 700 HH22 ARG 22 HH22 ARG 22 24.475 21.154 -20.705 701 H ALA 23 HN ALA 23 19.525 15.652 -20.676 702 HA ALA 23 HA ALA 23 18.250 15.930 -23.178 703 HB1 ALA 23 HB1 ALA 23 19.656 13.513 -22.045 704 HB2 ALA 23 HB2 ALA 23 20.431 14.851 -22.892 705 HB3 ALA 23 HB3 ALA 23 19.296 13.806 -23.747 706 H HIS 24 HN HIS 24 17.205 14.476 -20.261 707 HA HIS 24 HA HIS 24 15.231 12.828 -21.640 708 HB2 HIS 24 HB2 HIS 24 16.324 12.877 -18.854 709 HB3 HIS 24 HB1 HIS 24 14.776 12.111 -19.184 710 HD1 HIS 24 HD1 HIS 24 15.081 9.662 -19.412 711 HD2 HIS 24 HD2 HIS 24 18.315 11.763 -20.958 712 HE1 HIS 24 HE1 HIS 24 16.690 7.917 -20.217 713 H VAL 25 HN VAL 25 15.533 15.882 -20.263 714 HA VAL 25 HA VAL 25 12.685 15.973 -19.600 715 HB VAL 25 HB VAL 25 14.489 16.774 -17.921 716 HG11 VAL 25 HG11 VAL 25 15.283 19.021 -18.110 717 HG12 VAL 25 HG12 VAL 25 14.362 19.277 -19.584 718 HG13 VAL 25 HG13 VAL 25 15.727 18.156 -19.586 719 HG21 VAL 25 HG21 VAL 25 12.159 18.560 -18.607 720 HG22 VAL 25 HG22 VAL 25 13.024 18.544 -17.070 721 HG23 VAL 25 HG23 VAL 25 12.114 17.124 -17.584 722 H LYS 26 HN LYS 26 11.441 17.829 -20.342 723 HA LYS 26 HA LYS 26 12.453 18.817 -22.918 724 HB2 LYS 26 HB2 LYS 26 10.493 17.270 -23.039 725 HB3 LYS 26 HB1 LYS 26 9.569 18.429 -22.098 726 HG2 LYS 26 HG2 LYS 26 9.553 20.002 -23.845 727 HG3 LYS 26 HG1 LYS 26 10.842 19.169 -24.716 728 HD2 LYS 26 HD2 LYS 26 8.796 18.690 -25.848 729 HD3 LYS 26 HD1 LYS 26 9.279 17.227 -24.994 730 HE2 LYS 26 HE2 LYS 26 6.969 17.423 -24.601 731 HE3 LYS 26 HE1 LYS 26 7.729 18.003 -23.124 732 HZ1 LYS 26 HZ1 LYS 26 6.805 19.791 -25.302 733 HZ2 LYS 26 HZ2 LYS 26 7.297 20.255 -23.746 734 HZ3 LYS 26 HZ3 LYS 26 5.866 19.386 -23.964 735 H GLU 27 HN GLU 27 10.607 19.639 -20.007 736 HA GLU 27 HA GLU 27 11.552 22.332 -20.043 737 HB2 GLU 27 HB2 GLU 27 9.354 23.420 -20.283 738 HB3 GLU 27 HB1 GLU 27 9.814 22.550 -21.741 739 HG2 GLU 27 HG2 GLU 27 8.415 20.639 -20.854 740 HG3 GLU 27 HG1 GLU 27 7.772 21.797 -19.688 741 H TYR 28 HN TYR 28 10.106 23.616 -18.316 742 HA TYR 28 HA TYR 28 9.385 21.829 -16.106 743 HB2 TYR 28 HB2 TYR 28 10.694 23.026 -14.514 744 HB3 TYR 28 HB1 TYR 28 11.768 22.677 -15.862 745 HD1 TYR 28 HD1 TYR 28 10.514 25.182 -13.696 746 HD2 TYR 28 HD2 TYR 28 12.080 24.593 -17.608 747 HE1 TYR 28 HE1 TYR 28 11.072 27.570 -13.828 748 HE2 TYR 28 HE2 TYR 28 12.645 26.984 -17.747 749 HH TYR 28 HH TYR 28 11.935 29.109 -16.722 750 H PHE 29 HN PHE 29 8.101 22.972 -14.430 751 HA PHE 29 HA PHE 29 6.811 25.439 -15.275 752 HB2 PHE 29 HB2 PHE 29 5.584 23.607 -16.448 753 HB3 PHE 29 HB1 PHE 29 5.251 22.864 -14.893 754 HD1 PHE 29 HD1 PHE 29 4.821 26.157 -16.602 755 HD2 PHE 29 HD2 PHE 29 3.185 23.241 -13.969 756 HE1 PHE 29 HE1 PHE 29 2.743 27.465 -16.449 757 HE2 PHE 29 HE2 PHE 29 1.106 24.547 -13.809 758 HZ PHE 29 HZ PHE 29 0.883 26.660 -15.050 759 H TYR 30 HN TYR 30 5.651 26.443 -13.535 760 HA TYR 30 HA TYR 30 6.517 25.491 -10.908 761 HB2 TYR 30 HB2 TYR 30 5.304 28.120 -11.786 762 HB3 TYR 30 HB1 TYR 30 5.719 27.735 -10.122 763 HD1 TYR 30 HD1 TYR 30 7.162 28.175 -13.513 764 HD2 TYR 30 HD2 TYR 30 7.915 28.048 -9.332 765 HE1 TYR 30 HE1 TYR 30 9.436 29.006 -13.904 766 HE2 TYR 30 HE2 TYR 30 10.198 28.877 -9.714 767 HH TYR 30 HH TYR 30 11.213 30.065 -12.810 768 H THR 31 HN THR 31 5.077 25.184 -9.169 769 HA THR 31 HA THR 31 2.663 23.939 -9.856 770 HB THR 31 HB THR 31 2.217 24.055 -7.328 771 HG1 THR 31 HG1 THR 31 3.732 24.910 -6.068 772 HG21 THR 31 HG21 THR 31 3.844 22.315 -6.885 773 HG22 THR 31 HG22 THR 31 4.782 22.803 -8.298 774 HG23 THR 31 HG23 THR 31 3.170 22.116 -8.502 775 H SER 32 HN SER 32 0.519 24.443 -9.075 776 HA SER 32 HA SER 32 -0.406 26.915 -9.981 777 HB2 SER 32 HB2 SER 32 -1.779 24.931 -8.153 778 HB3 SER 32 HB1 SER 32 -2.578 26.210 -9.065 779 HG SER 32 HG SER 32 -0.987 24.240 -10.334 780 H SER 33 HN SER 33 -1.562 28.580 -8.775 781 HA SER 33 HA SER 33 -0.029 29.451 -6.506 782 HB2 SER 33 HB2 SER 33 -2.453 30.716 -7.798 783 HB3 SER 33 HB1 SER 33 -1.342 31.498 -6.673 784 HG SER 33 HG SER 33 0.235 30.610 -8.476 785 H LYS 34 HN LYS 34 -2.403 27.296 -6.734 786 HA LYS 34 HA LYS 34 -3.782 28.033 -4.268 787 HB2 LYS 34 HB2 LYS 34 -4.215 25.767 -6.216 788 HB3 LYS 34 HB1 LYS 34 -5.183 26.033 -4.773 789 HG2 LYS 34 HG2 LYS 34 -4.931 27.980 -7.054 790 HG3 LYS 34 HG1 LYS 34 -6.241 26.813 -6.868 791 HD2 LYS 34 HD2 LYS 34 -6.811 27.843 -4.703 792 HD3 LYS 34 HD1 LYS 34 -5.534 29.035 -4.957 793 HE2 LYS 34 HE2 LYS 34 -6.649 29.867 -6.928 794 HE3 LYS 34 HE1 LYS 34 -7.881 28.611 -6.799 795 HZ1 LYS 34 HZ1 LYS 34 -8.585 29.570 -4.707 796 HZ2 LYS 34 HZ2 LYS 34 -8.663 30.721 -5.940 797 HZ3 LYS 34 HZ3 LYS 34 -7.398 30.768 -4.820 798 H CYS 35 HN CYS 35 -1.031 26.498 -5.223 799 HA CYS 35 HA CYS 35 -1.069 24.217 -3.523 800 HB2 CYS 35 HB2 CYS 35 1.114 25.636 -5.029 801 HB3 CYS 35 HB1 CYS 35 1.430 24.247 -3.995 802 H SER 36 HN SER 36 -0.045 23.902 -1.597 803 HA SER 36 HA SER 36 0.299 26.289 0.018 804 HB2 SER 36 HB2 SER 36 0.414 23.374 0.820 805 HB3 SER 36 HB1 SER 36 0.266 24.759 1.902 806 HG SER 36 HG SER 36 -1.700 25.194 0.489 807 H ASN 37 HN ASN 37 2.191 24.666 -2.010 808 HA ASN 37 HA ASN 37 4.630 25.497 -0.701 809 HB2 ASN 37 HB2 ASN 37 4.510 23.248 0.144 810 HB3 ASN 37 HB1 ASN 37 4.070 22.614 -1.438 811 HD21 ASN 37 HD21 ASN 37 5.653 22.252 -2.955 812 HD22 ASN 37 HD22 ASN 37 7.341 22.359 -2.594 813 H LEU 38 HN LEU 38 5.998 26.316 -2.171 814 HA LEU 38 HA LEU 38 5.233 26.273 -4.939 815 HB2 LEU 38 HB2 LEU 38 6.240 28.267 -3.740 816 HB3 LEU 38 HB1 LEU 38 7.763 27.407 -3.723 817 HG LEU 38 HG LEU 38 7.532 29.177 -5.504 818 HD11 LEU 38 HD11 LEU 38 8.084 26.387 -6.465 819 HD12 LEU 38 HD12 LEU 38 9.232 27.486 -5.699 820 HD13 LEU 38 HD13 LEU 38 8.562 27.875 -7.282 821 HD21 LEU 38 HD21 LEU 38 5.654 27.183 -6.765 822 HD22 LEU 38 HD22 LEU 38 6.246 28.671 -7.502 823 HD23 LEU 38 HD23 LEU 38 5.189 28.746 -6.093 824 H ALA 39 HN ALA 39 5.808 24.784 -6.332 825 HA ALA 39 HA ALA 39 8.373 23.448 -6.022 826 HB1 ALA 39 HB1 ALA 39 7.360 21.250 -6.423 827 HB2 ALA 39 HB2 ALA 39 5.759 21.990 -6.382 828 HB3 ALA 39 HB3 ALA 39 6.762 21.979 -4.933 829 H VAL 40 HN VAL 40 8.773 22.048 -8.045 830 HA VAL 40 HA VAL 40 7.568 23.383 -10.353 831 HB VAL 40 HB VAL 40 9.699 23.155 -11.584 832 HG11 VAL 40 HG11 VAL 40 10.857 25.008 -10.491 833 HG12 VAL 40 HG12 VAL 40 9.854 24.770 -9.057 834 HG13 VAL 40 HG13 VAL 40 9.115 25.265 -10.583 835 HG21 VAL 40 HG21 VAL 40 11.770 22.752 -10.365 836 HG22 VAL 40 HG22 VAL 40 10.698 21.354 -10.304 837 HG23 VAL 40 HG23 VAL 40 10.848 22.414 -8.898 838 H VAL 41 HN VAL 41 7.201 22.198 -12.116 839 HA VAL 41 HA VAL 41 7.358 19.292 -11.744 840 HB VAL 41 HB VAL 41 5.296 20.780 -13.375 841 HG11 VAL 41 HG11 VAL 41 5.633 18.524 -14.101 842 HG12 VAL 41 HG12 VAL 41 4.092 18.625 -13.241 843 HG13 VAL 41 HG13 VAL 41 5.502 17.927 -12.447 844 HG21 VAL 41 HG21 VAL 41 5.017 21.384 -11.029 845 HG22 VAL 41 HG22 VAL 41 5.022 19.680 -10.576 846 HG23 VAL 41 HG23 VAL 41 3.708 20.327 -11.558 847 H PHE 42 HN PHE 42 8.708 18.387 -13.095 848 HA PHE 42 HA PHE 42 9.535 19.814 -15.491 849 HB2 PHE 42 HB2 PHE 42 10.613 17.378 -14.093 850 HB3 PHE 42 HB1 PHE 42 11.234 17.951 -15.634 851 HD1 PHE 42 HD1 PHE 42 11.121 18.475 -12.061 852 HD2 PHE 42 HD2 PHE 42 12.371 20.125 -15.773 853 HE1 PHE 42 HE1 PHE 42 12.580 20.053 -10.866 854 HE2 PHE 42 HE2 PHE 42 13.837 21.699 -14.593 855 HZ PHE 42 HZ PHE 42 13.951 21.668 -12.139 856 H VAL 43 HN VAL 43 8.973 19.284 -17.443 857 HA VAL 43 HA VAL 43 7.264 16.940 -17.810 858 HB VAL 43 HB VAL 43 7.809 19.223 -19.719 859 HG11 VAL 43 HG11 VAL 43 5.831 18.426 -20.904 860 HG12 VAL 43 HG12 VAL 43 5.673 17.100 -19.749 861 HG13 VAL 43 HG13 VAL 43 7.077 17.178 -20.818 862 HG21 VAL 43 HG21 VAL 43 5.591 20.077 -19.088 863 HG22 VAL 43 HG22 VAL 43 6.710 20.067 -17.724 864 HG23 VAL 43 HG23 VAL 43 5.473 18.820 -17.857 865 H THR 44 HN THR 44 8.354 15.185 -18.400 866 HA THR 44 HA THR 44 10.979 15.331 -19.482 867 HB THR 44 HB THR 44 10.830 12.864 -19.670 868 HG1 THR 44 HG1 THR 44 8.373 12.885 -18.369 869 HG21 THR 44 HG21 THR 44 11.490 13.900 -17.543 870 HG22 THR 44 HG22 THR 44 10.578 12.412 -17.282 871 HG23 THR 44 HG23 THR 44 9.792 13.975 -17.066 872 H ARG 45 HN ARG 45 11.451 13.781 -21.418 873 HA ARG 45 HA ARG 45 10.327 14.987 -23.718 874 HB2 ARG 45 HB2 ARG 45 12.069 12.537 -23.434 875 HB3 ARG 45 HB1 ARG 45 11.672 13.296 -24.967 876 HG2 ARG 45 HG2 ARG 45 13.119 14.677 -22.716 877 HG3 ARG 45 HG1 ARG 45 13.912 13.891 -24.080 878 HD2 ARG 45 HD2 ARG 45 11.966 16.191 -24.255 879 HD3 ARG 45 HD1 ARG 45 13.717 16.310 -24.413 880 HE ARG 45 HE ARG 45 11.991 14.825 -26.291 881 HH11 ARG 45 HH11 ARG 45 14.789 16.857 -25.642 882 HH12 ARG 45 HH12 ARG 45 15.273 16.928 -27.298 883 HH21 ARG 45 HH21 ARG 45 12.653 14.927 -28.499 884 HH22 ARG 45 HH22 ARG 45 14.049 15.852 -28.924 885 H ARG 46 HN ARG 46 9.260 12.456 -21.779 886 HA ARG 46 HA ARG 46 7.625 11.287 -23.920 887 HB2 ARG 46 HB2 ARG 46 8.031 10.380 -21.068 888 HB3 ARG 46 HB1 ARG 46 7.103 9.529 -22.292 889 HG2 ARG 46 HG2 ARG 46 9.125 9.166 -23.591 890 HG3 ARG 46 HG1 ARG 46 10.064 10.057 -22.388 891 HD2 ARG 46 HD2 ARG 46 9.360 8.418 -20.683 892 HD3 ARG 46 HD1 ARG 46 8.528 7.505 -21.940 893 HE ARG 46 HE ARG 46 11.074 7.717 -22.860 894 HH11 ARG 46 HH11 ARG 46 9.626 6.554 -19.889 895 HH12 ARG 46 HH12 ARG 46 10.875 5.392 -19.589 896 HH21 ARG 46 HH21 ARG 46 12.732 6.189 -22.464 897 HH22 ARG 46 HH22 ARG 46 12.649 5.187 -21.052 898 H ASN 47 HN ASN 47 7.419 13.885 -22.166 899 HA ASN 47 HA ASN 47 5.801 15.226 -21.360 900 HB2 ASN 47 HB2 ASN 47 3.992 13.193 -22.670 901 HB3 ASN 47 HB1 ASN 47 3.385 14.647 -21.883 902 HD21 ASN 47 HD21 ASN 47 4.972 13.342 -24.643 903 HD22 ASN 47 HD22 ASN 47 5.033 14.803 -25.563 904 H ARG 48 HN ARG 48 6.821 12.762 -19.940 905 HA ARG 48 HA ARG 48 4.709 12.218 -18.013 906 HB2 ARG 48 HB2 ARG 48 6.551 10.574 -18.918 907 HB3 ARG 48 HB1 ARG 48 7.590 11.366 -17.752 908 HG2 ARG 48 HG2 ARG 48 5.002 10.016 -17.020 909 HG3 ARG 48 HG1 ARG 48 6.563 9.205 -17.009 910 HD2 ARG 48 HD2 ARG 48 7.347 10.974 -15.398 911 HD3 ARG 48 HD1 ARG 48 5.673 11.528 -15.305 912 HE ARG 48 HE ARG 48 6.138 8.710 -14.777 913 HH11 ARG 48 HH11 ARG 48 5.625 11.900 -13.383 914 HH12 ARG 48 HH12 ARG 48 5.152 11.268 -11.848 915 HH21 ARG 48 HH21 ARG 48 5.522 7.902 -12.766 916 HH22 ARG 48 HH22 ARG 48 5.066 8.980 -11.489 917 H GLN 49 HN GLN 49 4.351 13.804 -16.602 918 HA GLN 49 HA GLN 49 6.406 15.719 -16.013 919 HB2 GLN 49 HB2 GLN 49 3.596 15.516 -14.946 920 HB3 GLN 49 HB1 GLN 49 4.681 16.886 -14.756 921 HG2 GLN 49 HG2 GLN 49 4.740 17.105 -17.230 922 HG3 GLN 49 HG1 GLN 49 3.517 15.844 -17.323 923 HE21 GLN 49 HE21 GLN 49 3.631 18.266 -14.826 924 HE22 GLN 49 HE22 GLN 49 2.200 19.117 -15.308 925 H VAL 50 HN VAL 50 7.326 16.165 -14.069 926 HA VAL 50 HA VAL 50 6.920 14.277 -11.864 927 HB VAL 50 HB VAL 50 8.857 13.504 -13.232 928 HG11 VAL 50 HG11 VAL 50 10.100 16.127 -12.516 929 HG12 VAL 50 HG12 VAL 50 9.543 15.632 -14.114 930 HG13 VAL 50 HG13 VAL 50 10.894 14.787 -13.349 931 HG21 VAL 50 HG21 VAL 50 9.615 14.582 -10.520 932 HG22 VAL 50 HG22 VAL 50 10.471 13.311 -11.396 933 HG23 VAL 50 HG23 VAL 50 8.819 13.040 -10.835 934 H CYS 51 HN CYS 51 7.119 15.228 -9.862 935 HA CYS 51 HA CYS 51 7.533 18.131 -9.881 936 HB2 CYS 51 HB2 CYS 51 6.233 16.336 -7.845 937 HB3 CYS 51 HB1 CYS 51 6.433 18.075 -7.664 938 H ALA 52 HN ALA 52 9.006 19.158 -8.587 939 HA ALA 52 HA ALA 52 10.558 17.596 -6.688 940 HB1 ALA 52 HB1 ALA 52 11.755 17.299 -8.812 941 HB2 ALA 52 HB2 ALA 52 12.703 18.223 -7.646 942 HB3 ALA 52 HB3 ALA 52 11.887 19.052 -8.973 943 H ASN 53 HN ASN 53 12.090 18.986 -5.470 944 HA ASN 53 HA ASN 53 10.760 21.450 -4.757 945 HB2 ASN 53 HB2 ASN 53 13.184 20.087 -3.563 946 HB3 ASN 53 HB1 ASN 53 12.452 21.552 -2.924 947 HD21 ASN 53 HD21 ASN 53 9.723 20.570 -3.554 948 HD22 ASN 53 HD22 ASN 53 9.386 19.391 -2.338 949 HA PRO 54 HA PRO 54 13.365 23.925 -7.370 950 HB2 PRO 54 HB2 PRO 54 12.592 26.348 -6.405 951 HB3 PRO 54 HB1 PRO 54 11.568 25.378 -7.469 952 HG2 PRO 54 HG2 PRO 54 11.493 25.632 -4.489 953 HG3 PRO 54 HG1 PRO 54 10.151 25.653 -5.648 954 HD2 PRO 54 HD2 PRO 54 10.772 23.456 -4.225 955 HD3 PRO 54 HD1 PRO 54 10.160 23.358 -5.888 956 H GLU 55 HN GLU 55 13.562 23.672 -3.995 957 HA GLU 55 HA GLU 55 15.705 25.581 -3.676 958 HB2 GLU 55 HB2 GLU 55 14.536 23.613 -1.710 959 HB3 GLU 55 HB1 GLU 55 15.660 24.910 -1.324 960 HG2 GLU 55 HG2 GLU 55 13.994 26.553 -2.083 961 HG3 GLU 55 HG1 GLU 55 12.866 25.236 -2.396 962 H LYS 56 HN LYS 56 15.741 22.798 -5.174 963 HA LYS 56 HA LYS 56 18.141 21.713 -3.915 964 HB2 LYS 56 HB2 LYS 56 16.349 20.642 -6.094 965 HB3 LYS 56 HB1 LYS 56 17.827 19.853 -5.567 966 HG2 LYS 56 HG2 LYS 56 16.897 19.612 -3.322 967 HG3 LYS 56 HG1 LYS 56 15.414 20.400 -3.857 968 HD2 LYS 56 HD2 LYS 56 15.151 17.974 -3.820 969 HD3 LYS 56 HD1 LYS 56 15.040 18.593 -5.468 970 HE2 LYS 56 HE2 LYS 56 16.378 16.538 -5.340 971 HE3 LYS 56 HE1 LYS 56 17.327 17.906 -5.911 972 HZ1 LYS 56 HZ1 LYS 56 17.329 16.986 -3.085 973 HZ2 LYS 56 HZ2 LYS 56 18.389 18.088 -3.805 974 HZ3 LYS 56 HZ3 LYS 56 18.440 16.459 -4.238 975 H LYS 57 HN LYS 57 20.090 21.688 -4.915 976 HA LYS 57 HA LYS 57 20.744 23.806 -6.578 977 HB2 LYS 57 HB2 LYS 57 22.358 22.711 -5.113 978 HB3 LYS 57 HB1 LYS 57 22.275 21.252 -6.086 979 HG2 LYS 57 HG2 LYS 57 24.298 22.556 -6.534 980 HG3 LYS 57 HG1 LYS 57 23.276 22.404 -7.965 981 HD2 LYS 57 HD2 LYS 57 22.413 24.642 -7.622 982 HD3 LYS 57 HD1 LYS 57 23.333 24.792 -6.123 983 HE2 LYS 57 HE2 LYS 57 25.408 24.652 -7.344 984 HE3 LYS 57 HE1 LYS 57 24.537 24.371 -8.850 985 HZ1 LYS 57 HZ1 LYS 57 25.288 26.679 -8.586 986 HZ2 LYS 57 HZ2 LYS 57 24.312 26.834 -7.212 987 HZ3 LYS 57 HZ3 LYS 57 23.607 26.562 -8.720 988 H TRP 58 HN TRP 58 20.287 20.393 -7.426 989 HA TRP 58 HA TRP 58 21.064 20.764 -10.132 990 HB2 TRP 58 HB2 TRP 58 19.593 18.531 -8.747 991 HB3 TRP 58 HB1 TRP 58 19.926 18.508 -10.478 992 HD1 TRP 58 HD1 TRP 58 21.431 17.505 -7.269 993 HE1 TRP 58 HE1 TRP 58 23.911 16.909 -7.570 994 HE3 TRP 58 HE3 TRP 58 22.158 19.414 -11.950 995 HZ2 TRP 58 HZ2 TRP 58 25.913 17.200 -9.532 996 HZ3 TRP 58 HZ3 TRP 58 24.385 19.215 -12.967 997 HH2 TRP 58 HH2 TRP 58 26.225 18.131 -11.781 998 H VAL 59 HN VAL 59 18.056 21.005 -8.435 999 HA VAL 59 HA VAL 59 16.398 21.068 -10.730 1000 HB VAL 59 HB VAL 59 15.963 22.194 -7.947 1001 HG11 VAL 59 HG11 VAL 59 13.587 22.275 -8.531 1002 HG12 VAL 59 HG12 VAL 59 13.979 21.795 -10.180 1003 HG13 VAL 59 HG13 VAL 59 14.541 23.346 -9.557 1004 HG21 VAL 59 HG21 VAL 59 14.582 20.208 -7.615 1005 HG22 VAL 59 HG22 VAL 59 16.237 19.761 -8.032 1006 HG23 VAL 59 HG23 VAL 59 14.963 19.662 -9.247 1007 H GLN 60 HN GLN 60 18.148 23.443 -8.845 1008 HA GLN 60 HA GLN 60 17.192 25.749 -10.153 1009 HB2 GLN 60 HB2 GLN 60 19.725 25.179 -8.628 1010 HB3 GLN 60 HB1 GLN 60 19.329 26.770 -9.262 1011 HG2 GLN 60 HG2 GLN 60 17.562 25.242 -7.387 1012 HG3 GLN 60 HG1 GLN 60 18.780 26.394 -6.853 1013 HE21 GLN 60 HE21 GLN 60 15.727 25.982 -8.418 1014 HE22 GLN 60 HE22 GLN 60 15.254 27.641 -8.423 1015 H GLU 61 HN GLU 61 19.977 23.647 -10.671 1016 HA GLU 61 HA GLU 61 21.117 25.109 -12.780 1017 HB2 GLU 61 HB2 GLU 61 21.198 22.131 -12.290 1018 HB3 GLU 61 HB1 GLU 61 22.295 23.033 -13.325 1019 HG2 GLU 61 HG2 GLU 61 22.002 23.406 -10.359 1020 HG3 GLU 61 HG1 GLU 61 23.270 22.481 -11.149 1021 H TYR 62 HN TYR 62 18.798 22.465 -12.705 1022 HA TYR 62 HA TYR 62 18.594 22.259 -15.521 1023 HB2 TYR 62 HB2 TYR 62 17.002 21.184 -13.234 1024 HB3 TYR 62 HB1 TYR 62 16.340 21.086 -14.865 1025 HD1 TYR 62 HD1 TYR 62 19.697 20.537 -13.296 1026 HD2 TYR 62 HD2 TYR 62 16.661 19.043 -15.865 1027 HE1 TYR 62 HE1 TYR 62 21.071 18.555 -13.750 1028 HE2 TYR 62 HE2 TYR 62 18.027 17.055 -16.322 1029 HH TYR 62 HH TYR 62 20.766 16.242 -14.502 1030 H ILE 63 HN ILE 63 16.803 24.068 -13.113 1031 HA ILE 63 HA ILE 63 14.823 25.048 -14.880 1032 HB ILE 63 HB ILE 63 15.923 26.128 -12.285 1033 HG12 ILE 63 HG12 ILE 63 13.216 24.985 -13.015 1034 HG13 ILE 63 HG11 ILE 63 14.505 24.105 -12.201 1035 HG21 ILE 63 HG21 ILE 63 15.254 28.044 -13.637 1036 HG22 ILE 63 HG22 ILE 63 14.148 27.810 -12.282 1037 HG23 ILE 63 HG23 ILE 63 13.671 27.315 -13.906 1038 HD11 ILE 63 HD11 ILE 63 12.858 24.819 -10.604 1039 HD12 ILE 63 HD12 ILE 63 13.013 26.492 -11.138 1040 HD13 ILE 63 HD13 ILE 63 14.361 25.696 -10.326 1041 H ASN 64 HN ASN 64 17.932 26.365 -13.839 1042 HA ASN 64 HA ASN 64 17.740 28.748 -15.343 1043 HB2 ASN 64 HB2 ASN 64 19.526 29.306 -14.115 1044 HB3 ASN 64 HB1 ASN 64 19.499 27.690 -13.431 1045 HD21 ASN 64 HD21 ASN 64 20.934 26.153 -14.211 1046 HD22 ASN 64 HD22 ASN 64 22.342 26.586 -15.118 1047 H TYR 65 HN TYR 65 18.810 25.553 -16.146 1048 HA TYR 65 HA TYR 65 19.917 26.438 -18.666 1049 HB2 TYR 65 HB2 TYR 65 19.811 23.848 -17.229 1050 HB3 TYR 65 HB1 TYR 65 19.955 23.796 -18.981 1051 HD1 TYR 65 HD1 TYR 65 21.768 23.925 -15.986 1052 HD2 TYR 65 HD2 TYR 65 21.794 25.446 -19.957 1053 HE1 TYR 65 HE1 TYR 65 24.182 24.359 -15.804 1054 HE2 TYR 65 HE2 TYR 65 24.203 25.880 -19.786 1055 HH TYR 65 HH TYR 65 25.891 26.232 -18.120 1056 H LEU 66 HN LEU 66 16.916 25.005 -17.537 1057 HA LEU 66 HA LEU 66 16.021 24.500 -20.228 1058 HB2 LEU 66 HB2 LEU 66 14.577 24.371 -17.587 1059 HB3 LEU 66 HB1 LEU 66 13.792 24.059 -19.122 1060 HG LEU 66 HG LEU 66 16.084 22.487 -17.961 1061 HD11 LEU 66 HD11 LEU 66 13.987 22.194 -16.745 1062 HD12 LEU 66 HD12 LEU 66 14.426 20.739 -17.636 1063 HD13 LEU 66 HD13 LEU 66 13.164 21.804 -18.254 1064 HD21 LEU 66 HD21 LEU 66 15.636 20.928 -19.803 1065 HD22 LEU 66 HD22 LEU 66 16.135 22.507 -20.402 1066 HD23 LEU 66 HD23 LEU 66 14.434 22.043 -20.452 1067 H GLU 67 HN GLU 67 15.702 27.100 -17.897 1068 HA GLU 67 HA GLU 67 13.605 28.498 -19.152 1069 HB2 GLU 67 HB2 GLU 67 14.384 30.462 -17.926 1070 HB3 GLU 67 HB1 GLU 67 14.458 29.043 -16.887 1071 HG2 GLU 67 HG2 GLU 67 16.829 28.878 -17.196 1072 HG3 GLU 67 HG1 GLU 67 16.806 30.200 -18.355 1073 H MET 68 HN MET 68 17.040 28.346 -19.773 1074 HA MET 68 HA MET 68 16.891 30.353 -21.870 1075 HB2 MET 68 HB2 MET 68 19.318 29.910 -22.147 1076 HB3 MET 68 HB1 MET 68 18.893 30.361 -20.505 1077 HG2 MET 68 HG2 MET 68 19.045 28.056 -19.785 1078 HG3 MET 68 HG1 MET 68 19.329 27.538 -21.446 1079 HE1 MET 68 HE1 MET 68 21.353 29.612 -22.616 1080 HE2 MET 68 HE2 MET 68 21.540 27.864 -22.752 1081 HE3 MET 68 HE3 MET 68 22.890 28.854 -22.198 1082 H SER 69 HN SER 69 16.527 27.012 -21.503 1083 HA SER 69 HA SER 69 16.391 25.229 -22.877 1084 HB2 SER 69 HB2 SER 69 15.383 27.376 -24.734 1085 HB3 SER 69 HB1 SER 69 15.147 25.644 -24.965 1086 HG SER 69 HG SER 69 14.382 26.460 -22.477 Start of MODEL 4 1 H1 MET 1 HT1 MET 1 7.224 0.896 -18.190 2 HA MET 1 HA MET 1 4.341 0.882 -17.551 3 HB2 MET 1 HB2 MET 1 4.519 -1.550 -17.643 4 HB3 MET 1 HB1 MET 1 4.960 -0.840 -19.187 5 HG2 MET 1 HG2 MET 1 7.308 -1.164 -18.703 6 HG3 MET 1 HG1 MET 1 6.914 -1.783 -17.101 7 HE1 MET 1 HE1 MET 1 5.127 -5.159 -17.930 8 HE2 MET 1 HE2 MET 1 4.336 -3.599 -17.719 9 HE3 MET 1 HE3 MET 1 5.668 -4.063 -16.660 10 H SER 2 HN SER 2 7.284 1.484 -16.274 11 HA SER 2 HA SER 2 6.497 0.345 -13.685 12 HB2 SER 2 HB2 SER 2 9.329 0.726 -14.689 13 HB3 SER 2 HB1 SER 2 8.859 0.062 -13.125 14 HG SER 2 HG SER 2 9.323 -1.601 -14.564 15 HA PRO 3 HA PRO 3 6.669 4.850 -13.180 16 HB2 PRO 3 HB2 PRO 3 4.654 5.055 -11.415 17 HB3 PRO 3 HB1 PRO 3 4.363 4.848 -13.145 18 HG2 PRO 3 HG2 PRO 3 4.235 2.830 -10.949 19 HG3 PRO 3 HG1 PRO 3 3.174 3.026 -12.355 20 HD2 PRO 3 HD2 PRO 3 5.216 1.178 -12.180 21 HD3 PRO 3 HD1 PRO 3 4.551 1.796 -13.705 22 H TYR 4 HN TYR 4 7.854 5.958 -11.755 23 HA TYR 4 HA TYR 4 8.759 4.596 -9.338 24 HB2 TYR 4 HB2 TYR 4 9.634 7.220 -10.570 25 HB3 TYR 4 HB1 TYR 4 10.343 6.501 -9.132 26 HD1 TYR 4 HD1 TYR 4 10.586 6.803 -12.628 27 HD2 TYR 4 HD2 TYR 4 11.288 4.066 -9.449 28 HE1 TYR 4 HE1 TYR 4 12.174 5.578 -14.042 29 HE2 TYR 4 HE2 TYR 4 12.880 2.829 -10.858 30 HH TYR 4 HH TYR 4 14.094 4.073 -13.775 31 H GLY 5 HN GLY 5 7.041 7.488 -10.338 32 HA2 GLY 5 HA2 GLY 5 5.155 8.150 -8.903 33 HA3 GLY 5 HA1 GLY 5 6.225 7.877 -7.533 34 H SER 6 HN SER 6 6.068 9.955 -6.759 35 HA SER 6 HA SER 6 6.501 12.158 -6.528 36 HB2 SER 6 HB2 SER 6 8.831 11.518 -8.351 37 HB3 SER 6 HB1 SER 6 8.707 12.911 -7.276 38 HG SER 6 HG SER 6 9.916 11.053 -6.448 39 H ASP 7 HN ASP 7 4.506 12.531 -7.778 40 HA ASP 7 HA ASP 7 5.053 14.439 -9.846 41 HB2 ASP 7 HB2 ASP 7 3.839 13.483 -11.614 42 HB3 ASP 7 HB1 ASP 7 4.801 12.149 -10.996 43 H THR 8 HN THR 8 2.788 15.226 -10.684 44 HA THR 8 HA THR 8 1.635 16.787 -8.858 45 HB THR 8 HB THR 8 -0.527 16.462 -10.342 46 HG1 THR 8 HG1 THR 8 0.902 14.520 -11.223 47 HG21 THR 8 HG21 THR 8 0.922 18.433 -10.322 48 HG22 THR 8 HG22 THR 8 0.484 17.997 -11.977 49 HG23 THR 8 HG23 THR 8 2.086 17.600 -11.354 50 H THR 9 HN THR 9 0.990 16.258 -6.911 51 HA THR 9 HA THR 9 -0.833 14.007 -6.542 52 HB THR 9 HB THR 9 0.721 15.613 -4.494 53 HG1 THR 9 HG1 THR 9 2.036 14.318 -5.931 54 HG21 THR 9 HG21 THR 9 0.170 13.771 -2.970 55 HG22 THR 9 HG22 THR 9 -0.776 12.998 -4.242 56 HG23 THR 9 HG23 THR 9 -1.293 14.547 -3.577 57 HA PRO 10 HA PRO 10 -3.914 17.281 -6.267 58 HB2 PRO 10 HB2 PRO 10 -6.070 15.633 -6.120 59 HB3 PRO 10 HB1 PRO 10 -5.259 16.034 -7.638 60 HG2 PRO 10 HG2 PRO 10 -5.041 13.576 -5.958 61 HG3 PRO 10 HG1 PRO 10 -5.055 13.731 -7.723 62 HD2 PRO 10 HD2 PRO 10 -2.785 13.355 -6.242 63 HD3 PRO 10 HD1 PRO 10 -2.808 14.164 -7.821 64 H CYS 11 HN CYS 11 -3.785 18.234 -4.341 65 HA CYS 11 HA CYS 11 -4.993 16.840 -2.045 66 HB2 CYS 11 HB2 CYS 11 -2.461 17.191 -1.897 67 HB3 CYS 11 HB1 CYS 11 -2.803 18.916 -1.829 68 H CYS 12 HN CYS 12 -5.899 18.497 -0.427 69 HA CYS 12 HA CYS 12 -6.451 21.112 -1.349 70 HB2 CYS 12 HB2 CYS 12 -7.782 19.614 -2.931 71 HB3 CYS 12 HB1 CYS 12 -8.813 19.270 -1.548 72 H PHE 13 HN PHE 13 -7.709 22.322 0.087 73 HA PHE 13 HA PHE 13 -8.730 21.054 2.520 74 HB2 PHE 13 HB2 PHE 13 -7.051 23.485 2.946 75 HB3 PHE 13 HB1 PHE 13 -7.324 22.116 4.007 76 HD1 PHE 13 HD1 PHE 13 -5.285 23.466 1.287 77 HD2 PHE 13 HD2 PHE 13 -5.891 20.172 3.906 78 HE1 PHE 13 HE1 PHE 13 -3.053 22.609 0.713 79 HE2 PHE 13 HE2 PHE 13 -3.660 19.305 3.334 80 HZ PHE 13 HZ PHE 13 -2.238 20.524 1.737 81 H ALA 14 HN ALA 14 -10.571 21.929 0.923 82 HA ALA 14 HA ALA 14 -11.252 24.589 1.905 83 HB1 ALA 14 HB1 ALA 14 -10.163 24.939 -0.269 84 HB2 ALA 14 HB2 ALA 14 -11.871 25.378 -0.310 85 HB3 ALA 14 HB3 ALA 14 -11.335 23.856 -1.022 86 H TYR 15 HN TYR 15 -13.548 25.083 0.786 87 HA TYR 15 HA TYR 15 -15.279 22.907 0.331 88 HB2 TYR 15 HB2 TYR 15 -16.615 22.964 2.362 89 HB3 TYR 15 HB1 TYR 15 -14.949 22.609 2.798 90 HD1 TYR 15 HD1 TYR 15 -17.700 24.964 3.107 91 HD2 TYR 15 HD2 TYR 15 -13.568 24.347 3.909 92 HE1 TYR 15 HE1 TYR 15 -17.734 26.840 4.689 93 HE2 TYR 15 HE2 TYR 15 -13.592 26.220 5.496 94 HH TYR 15 HH TYR 15 -14.945 28.285 5.865 95 H LEU 16 HN LEU 16 -17.562 23.704 0.219 96 HA LEU 16 HA LEU 16 -17.661 26.610 -0.193 97 HB2 LEU 16 HB2 LEU 16 -17.746 24.747 -2.219 98 HB3 LEU 16 HB1 LEU 16 -19.445 25.006 -1.884 99 HG LEU 16 HG LEU 16 -17.487 27.204 -2.559 100 HD11 LEU 16 HD11 LEU 16 -17.785 25.722 -4.461 101 HD12 LEU 16 HD12 LEU 16 -18.592 27.262 -4.745 102 HD13 LEU 16 HD13 LEU 16 -19.538 25.841 -4.298 103 HD21 LEU 16 HD21 LEU 16 -20.497 27.221 -2.381 104 HD22 LEU 16 HD22 LEU 16 -19.475 28.578 -2.854 105 HD23 LEU 16 HD23 LEU 16 -19.391 27.942 -1.212 106 H SER 17 HN SER 17 -19.192 27.581 0.897 107 HA SER 17 HA SER 17 -20.835 26.215 2.711 108 HB2 SER 17 HB2 SER 17 -21.059 29.030 1.652 109 HB3 SER 17 HB1 SER 17 -21.840 28.422 3.116 110 HG SER 17 HG SER 17 -20.040 28.709 4.143 111 H LEU 18 HN LEU 18 -21.355 27.429 -0.516 112 HA LEU 18 HA LEU 18 -24.165 26.685 -0.440 113 HB2 LEU 18 HB2 LEU 18 -22.641 27.890 -2.743 114 HB3 LEU 18 HB1 LEU 18 -24.378 27.838 -2.524 115 HG LEU 18 HG LEU 18 -22.417 29.502 -0.949 116 HD11 LEU 18 HD11 LEU 18 -22.812 30.381 -3.144 117 HD12 LEU 18 HD12 LEU 18 -23.644 31.377 -1.951 118 HD13 LEU 18 HD13 LEU 18 -24.555 30.229 -2.930 119 HD21 LEU 18 HD21 LEU 18 -25.414 29.301 -0.660 120 HD22 LEU 18 HD22 LEU 18 -24.367 30.450 0.172 121 HD23 LEU 18 HD23 LEU 18 -24.214 28.725 0.498 122 H ALA 19 HN ALA 19 -23.673 24.458 -0.221 123 HA ALA 19 HA ALA 19 -22.138 22.990 -2.062 124 HB1 ALA 19 HB1 ALA 19 -24.390 22.029 -0.302 125 HB2 ALA 19 HB2 ALA 19 -22.704 22.186 0.186 126 HB3 ALA 19 HB3 ALA 19 -23.156 21.023 -1.061 127 H LEU 20 HN LEU 20 -22.576 22.233 -4.007 128 HA LEU 20 HA LEU 20 -24.925 22.985 -5.375 129 HB2 LEU 20 HB2 LEU 20 -23.972 21.515 -7.211 130 HB3 LEU 20 HB1 LEU 20 -22.975 22.851 -6.679 131 HG LEU 20 HG LEU 20 -21.807 21.069 -5.182 132 HD11 LEU 20 HD11 LEU 20 -21.787 18.825 -6.133 133 HD12 LEU 20 HD12 LEU 20 -23.052 19.294 -7.270 134 HD13 LEU 20 HD13 LEU 20 -23.388 19.265 -5.540 135 HD21 LEU 20 HD21 LEU 20 -20.269 20.533 -7.008 136 HD22 LEU 20 HD22 LEU 20 -20.732 22.233 -7.015 137 HD23 LEU 20 HD23 LEU 20 -21.456 21.117 -8.173 138 HA PRO 21 HA PRO 21 -27.693 19.674 -4.512 139 HB2 PRO 21 HB2 PRO 21 -28.567 19.578 -7.305 140 HB3 PRO 21 HB1 PRO 21 -29.459 20.093 -5.873 141 HG2 PRO 21 HG2 PRO 21 -28.606 21.812 -7.787 142 HG3 PRO 21 HG1 PRO 21 -28.796 22.277 -6.086 143 HD2 PRO 21 HD2 PRO 21 -26.331 21.645 -7.636 144 HD3 PRO 21 HD1 PRO 21 -26.589 22.842 -6.352 145 H ARG 22 HN ARG 22 -28.195 17.459 -4.923 146 HA ARG 22 HA ARG 22 -26.008 15.860 -5.694 147 HB2 ARG 22 HB2 ARG 22 -28.894 15.256 -5.110 148 HB3 ARG 22 HB1 ARG 22 -27.791 13.994 -5.636 149 HG2 ARG 22 HG2 ARG 22 -26.454 14.227 -3.696 150 HG3 ARG 22 HG1 ARG 22 -27.249 15.735 -3.244 151 HD2 ARG 22 HD2 ARG 22 -28.664 13.088 -3.428 152 HD3 ARG 22 HD1 ARG 22 -27.959 13.716 -1.938 153 HE ARG 22 HE ARG 22 -29.558 15.733 -2.801 154 HH11 ARG 22 HH11 ARG 22 -30.127 12.323 -2.221 155 HH12 ARG 22 HH12 ARG 22 -31.754 12.554 -1.692 156 HH21 ARG 22 HH21 ARG 22 -31.718 16.043 -2.103 157 HH22 ARG 22 HH22 ARG 22 -32.669 14.678 -1.633 158 H ALA 23 HN ALA 23 -28.744 17.084 -7.426 159 HA ALA 23 HA ALA 23 -28.553 15.362 -9.674 160 HB1 ALA 23 HB1 ALA 23 -30.015 16.979 -10.779 161 HB2 ALA 23 HB2 ALA 23 -29.745 18.127 -9.469 162 HB3 ALA 23 HB3 ALA 23 -30.590 16.612 -9.153 163 H HIS 24 HN HIS 24 -26.603 17.894 -8.576 164 HA HIS 24 HA HIS 24 -25.566 18.421 -11.257 165 HB2 HIS 24 HB2 HIS 24 -25.752 20.003 -8.793 166 HB3 HIS 24 HB1 HIS 24 -24.202 20.135 -9.624 167 HD1 HIS 24 HD1 HIS 24 -24.792 22.621 -10.220 168 HD2 HIS 24 HD2 HIS 24 -27.356 19.785 -11.856 169 HE1 HIS 24 HE1 HIS 24 -26.090 23.833 -11.987 170 H VAL 25 HN VAL 25 -24.853 16.722 -8.375 171 HA VAL 25 HA VAL 25 -22.026 16.524 -9.087 172 HB VAL 25 HB VAL 25 -22.870 16.865 -6.648 173 HG11 VAL 25 HG11 VAL 25 -23.399 14.908 -5.380 174 HG12 VAL 25 HG12 VAL 25 -23.142 13.876 -6.780 175 HG13 VAL 25 HG13 VAL 25 -24.513 14.990 -6.750 176 HG21 VAL 25 HG21 VAL 25 -20.983 15.586 -5.754 177 HG22 VAL 25 HG22 VAL 25 -20.547 16.458 -7.225 178 HG23 VAL 25 HG23 VAL 25 -20.851 14.721 -7.286 179 H LYS 26 HN LYS 26 -21.045 14.500 -9.512 180 HA LYS 26 HA LYS 26 -22.969 12.508 -10.487 181 HB2 LYS 26 HB2 LYS 26 -21.604 13.654 -12.207 182 HB3 LYS 26 HB1 LYS 26 -20.152 13.050 -11.431 183 HG2 LYS 26 HG2 LYS 26 -20.602 10.837 -12.066 184 HG3 LYS 26 HG1 LYS 26 -22.277 11.213 -12.476 185 HD2 LYS 26 HD2 LYS 26 -20.891 10.943 -14.489 186 HD3 LYS 26 HD1 LYS 26 -21.534 12.578 -14.355 187 HE2 LYS 26 HE2 LYS 26 -19.234 12.723 -15.040 188 HE3 LYS 26 HE1 LYS 26 -19.353 13.286 -13.377 189 HZ1 LYS 26 HZ1 LYS 26 -18.536 10.541 -14.139 190 HZ2 LYS 26 HZ2 LYS 26 -18.473 11.240 -12.588 191 HZ3 LYS 26 HZ3 LYS 26 -17.454 11.797 -13.815 192 H GLU 27 HN GLU 27 -20.007 12.982 -8.643 193 HA GLU 27 HA GLU 27 -20.548 10.702 -7.043 194 HB2 GLU 27 HB2 GLU 27 -18.531 9.393 -7.514 195 HB3 GLU 27 HB1 GLU 27 -19.556 9.502 -8.935 196 HG2 GLU 27 HG2 GLU 27 -17.454 11.530 -8.701 197 HG3 GLU 27 HG1 GLU 27 -16.908 9.872 -8.959 198 H TYR 28 HN TYR 28 -18.329 10.246 -5.692 199 HA TYR 28 HA TYR 28 -17.058 12.771 -5.063 200 HB2 TYR 28 HB2 TYR 28 -17.608 12.748 -2.774 201 HB3 TYR 28 HB1 TYR 28 -19.128 12.369 -3.566 202 HD1 TYR 28 HD1 TYR 28 -16.666 11.299 -1.184 203 HD2 TYR 28 HD2 TYR 28 -19.876 9.925 -3.617 204 HE1 TYR 28 HE1 TYR 28 -16.853 9.289 0.215 205 HE2 TYR 28 HE2 TYR 28 -20.073 7.907 -2.220 206 HH TYR 28 HH TYR 28 -18.612 6.574 -0.706 207 H PHE 29 HN PHE 29 -15.112 12.484 -3.962 208 HA PHE 29 HA PHE 29 -14.096 9.772 -3.696 209 HB2 PHE 29 HB2 PHE 29 -13.109 11.844 -5.615 210 HB3 PHE 29 HB1 PHE 29 -11.978 10.670 -4.940 211 HD1 PHE 29 HD1 PHE 29 -14.161 11.396 -7.582 212 HD2 PHE 29 HD2 PHE 29 -12.766 8.168 -5.186 213 HE1 PHE 29 HE1 PHE 29 -14.823 9.808 -9.342 214 HE2 PHE 29 HE2 PHE 29 -13.426 6.577 -6.936 215 HZ PHE 29 HZ PHE 29 -14.455 7.393 -9.020 216 H TYR 30 HN TYR 30 -11.657 10.092 -2.951 217 HA TYR 30 HA TYR 30 -11.741 12.160 -0.871 218 HB2 TYR 30 HB2 TYR 30 -10.324 9.487 -0.901 219 HB3 TYR 30 HB1 TYR 30 -10.133 10.697 0.361 220 HD1 TYR 30 HD1 TYR 30 -12.427 8.248 -1.140 221 HD2 TYR 30 HD2 TYR 30 -11.858 11.053 2.006 222 HE1 TYR 30 HE1 TYR 30 -14.367 7.309 0.040 223 HE2 TYR 30 HE2 TYR 30 -13.796 10.123 3.194 224 HH TYR 30 HH TYR 30 -15.252 7.172 2.295 225 H THR 31 HN THR 31 -9.561 12.954 -0.220 226 HA THR 31 HA THR 31 -8.099 13.754 -2.539 227 HB THR 31 HB THR 31 -6.564 14.811 -0.761 228 HG1 THR 31 HG1 THR 31 -6.948 14.035 1.171 229 HG21 THR 31 HG21 THR 31 -9.492 15.558 -0.798 230 HG22 THR 31 HG22 THR 31 -8.288 16.059 -1.984 231 HG23 THR 31 HG23 THR 31 -8.160 16.610 -0.314 232 H SER 32 HN SER 32 -5.544 13.672 -2.224 233 HA SER 32 HA SER 32 -4.803 11.001 -2.589 234 HB2 SER 32 HB2 SER 32 -3.056 13.382 -1.964 235 HB3 SER 32 HB1 SER 32 -2.503 11.844 -2.628 236 HG SER 32 HG SER 32 -4.022 13.873 -3.824 237 H SER 33 HN SER 33 -3.689 9.562 -1.333 238 HA SER 33 HA SER 33 -4.175 9.718 1.472 239 HB2 SER 33 HB2 SER 33 -2.572 7.686 -0.084 240 HB3 SER 33 HB1 SER 33 -3.204 7.493 1.552 241 HG SER 33 HG SER 33 -5.233 7.366 0.780 242 H LYS 34 HN LYS 34 -1.657 10.761 -0.542 243 HA LYS 34 HA LYS 34 0.490 10.516 1.339 244 HB2 LYS 34 HB2 LYS 34 0.295 12.423 -1.001 245 HB3 LYS 34 HB1 LYS 34 1.759 11.940 -0.160 246 HG2 LYS 34 HG2 LYS 34 0.023 10.244 -1.935 247 HG3 LYS 34 HG1 LYS 34 1.668 10.788 -2.244 248 HD2 LYS 34 HD2 LYS 34 2.446 9.442 -0.325 249 HD3 LYS 34 HD1 LYS 34 0.795 8.865 -0.085 250 HE2 LYS 34 HE2 LYS 34 0.854 7.983 -2.427 251 HE3 LYS 34 HE1 LYS 34 2.562 8.407 -2.482 252 HZ1 LYS 34 HZ1 LYS 34 1.283 6.461 -0.641 253 HZ2 LYS 34 HZ2 LYS 34 2.903 6.931 -0.557 254 HZ3 LYS 34 HZ3 LYS 34 2.334 6.109 -1.918 255 H CYS 35 HN CYS 35 -2.112 12.685 0.880 256 HA CYS 35 HA CYS 35 -0.914 14.894 2.301 257 HB2 CYS 35 HB2 CYS 35 -3.818 14.509 1.557 258 HB3 CYS 35 HB1 CYS 35 -2.995 16.024 1.912 259 H SER 36 HN SER 36 -1.536 15.603 4.375 260 HA SER 36 HA SER 36 -2.351 13.468 6.150 261 HB2 SER 36 HB2 SER 36 -1.621 16.338 6.775 262 HB3 SER 36 HB1 SER 36 -1.808 15.035 7.948 263 HG SER 36 HG SER 36 -0.006 14.756 5.804 264 H ASN 37 HN ASN 37 -3.617 16.513 4.949 265 HA ASN 37 HA ASN 37 -5.968 16.375 6.616 266 HB2 ASN 37 HB2 ASN 37 -5.024 18.555 5.951 267 HB3 ASN 37 HB1 ASN 37 -5.342 18.172 4.264 268 HD21 ASN 37 HD21 ASN 37 -7.461 18.230 3.495 269 HD22 ASN 37 HD22 ASN 37 -8.739 18.971 4.395 270 H LEU 38 HN LEU 38 -7.188 14.629 6.159 271 HA LEU 38 HA LEU 38 -7.642 13.764 3.473 272 HB2 LEU 38 HB2 LEU 38 -7.602 12.179 5.348 273 HB3 LEU 38 HB1 LEU 38 -9.018 12.953 6.032 274 HG LEU 38 HG LEU 38 -10.311 12.289 4.015 275 HD11 LEU 38 HD11 LEU 38 -7.816 10.742 3.331 276 HD12 LEU 38 HD12 LEU 38 -8.492 12.095 2.423 277 HD13 LEU 38 HD13 LEU 38 -9.379 10.575 2.532 278 HD21 LEU 38 HD21 LEU 38 -10.481 9.924 4.607 279 HD22 LEU 38 HD22 LEU 38 -10.408 10.957 6.035 280 HD23 LEU 38 HD23 LEU 38 -8.981 10.050 5.527 281 H ALA 39 HN ALA 39 -9.029 14.582 2.138 282 HA ALA 39 HA ALA 39 -11.485 15.805 3.153 283 HB1 ALA 39 HB1 ALA 39 -9.659 17.005 1.067 284 HB2 ALA 39 HB2 ALA 39 -9.934 17.634 2.692 285 HB3 ALA 39 HB3 ALA 39 -11.247 17.632 1.514 286 H VAL 40 HN VAL 40 -12.918 16.288 1.059 287 HA VAL 40 HA VAL 40 -12.647 13.914 -0.636 288 HB VAL 40 HB VAL 40 -15.099 13.885 -0.911 289 HG11 VAL 40 HG11 VAL 40 -14.143 13.636 1.930 290 HG12 VAL 40 HG12 VAL 40 -14.039 12.404 0.668 291 HG13 VAL 40 HG13 VAL 40 -15.613 12.919 1.266 292 HG21 VAL 40 HG21 VAL 40 -15.585 16.197 -0.390 293 HG22 VAL 40 HG22 VAL 40 -15.077 15.950 1.283 294 HG23 VAL 40 HG23 VAL 40 -16.506 15.121 0.660 295 H VAL 41 HN VAL 41 -13.523 14.058 -2.719 296 HA VAL 41 HA VAL 41 -13.530 16.779 -3.819 297 HB VAL 41 HB VAL 41 -12.334 14.318 -5.122 298 HG11 VAL 41 HG11 VAL 41 -12.381 17.195 -6.021 299 HG12 VAL 41 HG12 VAL 41 -13.294 15.864 -6.733 300 HG13 VAL 41 HG13 VAL 41 -11.533 15.876 -6.829 301 HG21 VAL 41 HG21 VAL 41 -10.955 16.730 -3.939 302 HG22 VAL 41 HG22 VAL 41 -10.164 15.429 -4.830 303 HG23 VAL 41 HG23 VAL 41 -10.935 15.094 -3.279 304 H PHE 42 HN PHE 42 -15.361 17.207 -4.820 305 HA PHE 42 HA PHE 42 -17.107 14.981 -5.538 306 HB2 PHE 42 HB2 PHE 42 -17.624 17.917 -5.128 307 HB3 PHE 42 HB1 PHE 42 -18.826 16.825 -5.803 308 HD1 PHE 42 HD1 PHE 42 -17.343 18.109 -2.833 309 HD2 PHE 42 HD2 PHE 42 -19.514 14.815 -4.418 310 HE1 PHE 42 HE1 PHE 42 -18.018 17.457 -0.558 311 HE2 PHE 42 HE2 PHE 42 -20.199 14.161 -2.155 312 HZ PHE 42 HZ PHE 42 -19.458 15.479 -0.219 313 H VAL 43 HN VAL 43 -17.535 14.472 -7.533 314 HA VAL 43 HA VAL 43 -16.403 16.148 -9.651 315 HB VAL 43 HB VAL 43 -17.358 13.282 -9.818 316 HG11 VAL 43 HG11 VAL 43 -16.099 13.224 -11.910 317 HG12 VAL 43 HG12 VAL 43 -15.719 14.940 -11.726 318 HG13 VAL 43 HG13 VAL 43 -17.394 14.420 -11.950 319 HG21 VAL 43 HG21 VAL 43 -15.461 13.431 -8.299 320 HG22 VAL 43 HG22 VAL 43 -14.546 14.325 -9.512 321 HG23 VAL 43 HG23 VAL 43 -14.990 12.644 -9.806 322 H THR 44 HN THR 44 -17.843 17.459 -10.551 323 HA THR 44 HA THR 44 -20.650 17.085 -10.242 324 HB THR 44 HB THR 44 -20.864 19.077 -11.726 325 HG1 THR 44 HG1 THR 44 -18.122 19.428 -11.723 326 HG21 THR 44 HG21 THR 44 -20.487 19.370 -9.317 327 HG22 THR 44 HG22 THR 44 -19.723 20.653 -10.258 328 HG23 THR 44 HG23 THR 44 -18.745 19.342 -9.599 329 H ARG 45 HN ARG 45 -22.077 17.351 -12.283 330 HA ARG 45 HA ARG 45 -21.814 15.018 -13.836 331 HB2 ARG 45 HB2 ARG 45 -23.512 17.465 -14.355 332 HB3 ARG 45 HB1 ARG 45 -23.708 15.913 -15.154 333 HG2 ARG 45 HG2 ARG 45 -23.954 16.296 -12.182 334 HG3 ARG 45 HG1 ARG 45 -25.317 16.382 -13.296 335 HD2 ARG 45 HD2 ARG 45 -25.049 14.105 -13.925 336 HD3 ARG 45 HD1 ARG 45 -23.492 13.993 -13.107 337 HE ARG 45 HE ARG 45 -24.833 14.400 -11.004 338 HH11 ARG 45 HH11 ARG 45 -26.172 12.732 -13.782 339 HH12 ARG 45 HH12 ARG 45 -27.335 11.859 -12.848 340 HH21 ARG 45 HH21 ARG 45 -26.337 13.245 -9.773 341 HH22 ARG 45 HH22 ARG 45 -27.420 12.140 -10.547 342 H ARG 46 HN ARG 46 -20.601 18.205 -14.257 343 HA ARG 46 HA ARG 46 -19.966 17.807 -17.071 344 HB2 ARG 46 HB2 ARG 46 -19.388 20.111 -15.188 345 HB3 ARG 46 HB1 ARG 46 -18.898 20.077 -16.870 346 HG2 ARG 46 HG2 ARG 46 -20.843 21.423 -16.739 347 HG3 ARG 46 HG1 ARG 46 -21.337 19.900 -17.473 348 HD2 ARG 46 HD2 ARG 46 -22.381 19.171 -15.480 349 HD3 ARG 46 HD1 ARG 46 -21.603 20.427 -14.525 350 HE ARG 46 HE ARG 46 -23.000 22.022 -15.876 351 HH11 ARG 46 HH11 ARG 46 -24.072 18.715 -15.432 352 HH12 ARG 46 HH12 ARG 46 -25.750 19.121 -15.380 353 HH21 ARG 46 HH21 ARG 46 -25.230 22.562 -15.843 354 HH22 ARG 46 HH22 ARG 46 -26.412 21.318 -15.626 355 H ASN 47 HN ASN 47 -18.781 16.558 -14.395 356 HA ASN 47 HA ASN 47 -16.850 15.629 -13.712 357 HB2 ASN 47 HB2 ASN 47 -15.943 16.311 -16.508 358 HB3 ASN 47 HB1 ASN 47 -14.944 15.422 -15.361 359 HD21 ASN 47 HD21 ASN 47 -17.606 15.309 -17.516 360 HD22 ASN 47 HD22 ASN 47 -17.936 13.618 -17.373 361 H ARG 48 HN ARG 48 -17.447 18.550 -13.597 362 HA ARG 48 HA ARG 48 -14.812 19.754 -13.342 363 HB2 ARG 48 HB2 ARG 48 -17.151 20.835 -14.066 364 HB3 ARG 48 HB1 ARG 48 -17.326 21.040 -12.333 365 HG2 ARG 48 HG2 ARG 48 -14.977 22.072 -13.901 366 HG3 ARG 48 HG1 ARG 48 -16.429 23.014 -13.573 367 HD2 ARG 48 HD2 ARG 48 -16.042 22.812 -11.188 368 HD3 ARG 48 HD1 ARG 48 -14.618 21.811 -11.484 369 HE ARG 48 HE ARG 48 -14.552 24.380 -12.789 370 HH11 ARG 48 HH11 ARG 48 -13.725 22.675 -9.817 371 HH12 ARG 48 HH12 ARG 48 -12.463 23.794 -9.405 372 HH21 ARG 48 HH21 ARG 48 -12.901 25.833 -12.213 373 HH22 ARG 48 HH22 ARG 48 -12.003 25.587 -10.757 374 H GLN 49 HN GLN 49 -13.685 19.304 -11.558 375 HA GLN 49 HA GLN 49 -15.045 18.092 -9.327 376 HB2 GLN 49 HB2 GLN 49 -12.111 18.535 -9.828 377 HB3 GLN 49 HB1 GLN 49 -12.791 17.640 -8.475 378 HG2 GLN 49 HG2 GLN 49 -13.780 16.040 -9.989 379 HG3 GLN 49 HG1 GLN 49 -13.175 16.945 -11.372 380 HE21 GLN 49 HE21 GLN 49 -11.328 16.567 -8.467 381 HE22 GLN 49 HE22 GLN 49 -10.142 15.494 -9.128 382 H VAL 50 HN VAL 50 -14.578 18.613 -7.143 383 HA VAL 50 HA VAL 50 -13.673 21.267 -6.452 384 HB VAL 50 HB VAL 50 -16.114 21.520 -7.061 385 HG11 VAL 50 HG11 VAL 50 -16.884 19.345 -6.416 386 HG12 VAL 50 HG12 VAL 50 -17.810 20.605 -5.594 387 HG13 VAL 50 HG13 VAL 50 -16.562 19.711 -4.722 388 HG21 VAL 50 HG21 VAL 50 -15.434 21.967 -4.159 389 HG22 VAL 50 HG22 VAL 50 -16.741 22.761 -5.040 390 HG23 VAL 50 HG23 VAL 50 -15.062 23.063 -5.490 391 H CYS 51 HN CYS 51 -13.190 21.359 -4.168 392 HA CYS 51 HA CYS 51 -13.290 18.712 -2.884 393 HB2 CYS 51 HB2 CYS 51 -11.470 21.008 -2.221 394 HB3 CYS 51 HB1 CYS 51 -11.393 19.374 -1.580 395 H ALA 52 HN ALA 52 -13.608 18.655 -0.592 396 HA ALA 52 HA ALA 52 -14.469 21.014 0.766 397 HB1 ALA 52 HB1 ALA 52 -16.504 20.475 -0.491 398 HB2 ALA 52 HB2 ALA 52 -16.739 20.291 1.248 399 HB3 ALA 52 HB3 ALA 52 -16.519 18.865 0.232 400 H ASN 53 HN ASN 53 -14.822 20.680 2.985 401 HA ASN 53 HA ASN 53 -13.249 18.553 4.081 402 HB2 ASN 53 HB2 ASN 53 -14.882 20.730 5.411 403 HB3 ASN 53 HB1 ASN 53 -13.830 19.614 6.269 404 HD21 ASN 53 HD21 ASN 53 -11.717 19.646 4.263 405 HD22 ASN 53 HD22 ASN 53 -10.961 21.191 4.396 406 HA PRO 54 HA PRO 54 -16.736 15.764 4.212 407 HB2 PRO 54 HB2 PRO 54 -15.521 13.833 5.718 408 HB3 PRO 54 HB1 PRO 54 -15.258 14.033 3.982 409 HG2 PRO 54 HG2 PRO 54 -13.597 15.008 6.271 410 HG3 PRO 54 HG1 PRO 54 -13.071 14.231 4.764 411 HD2 PRO 54 HD2 PRO 54 -12.900 16.876 5.098 412 HD3 PRO 54 HD1 PRO 54 -13.349 16.177 3.527 413 H GLU 55 HN GLU 55 -15.317 17.352 6.871 414 HA GLU 55 HA GLU 55 -16.965 16.099 8.863 415 HB2 GLU 55 HB2 GLU 55 -15.130 18.479 8.992 416 HB3 GLU 55 HB1 GLU 55 -16.007 17.837 10.376 417 HG2 GLU 55 HG2 GLU 55 -14.874 15.686 10.083 418 HG3 GLU 55 HG1 GLU 55 -13.971 16.358 8.728 419 H LYS 56 HN LYS 56 -17.854 18.060 6.488 420 HA LYS 56 HA LYS 56 -19.647 19.663 8.149 421 HB2 LYS 56 HB2 LYS 56 -19.099 19.763 5.187 422 HB3 LYS 56 HB1 LYS 56 -20.319 20.745 5.986 423 HG2 LYS 56 HG2 LYS 56 -18.210 21.366 7.498 424 HG3 LYS 56 HG1 LYS 56 -17.376 20.979 5.992 425 HD2 LYS 56 HD2 LYS 56 -17.852 23.334 5.999 426 HD3 LYS 56 HD1 LYS 56 -18.919 22.566 4.822 427 HE2 LYS 56 HE2 LYS 56 -20.774 22.658 6.337 428 HE3 LYS 56 HE1 LYS 56 -19.733 23.170 7.663 429 HZ1 LYS 56 HZ1 LYS 56 -19.315 25.235 6.445 430 HZ2 LYS 56 HZ2 LYS 56 -20.952 25.032 6.789 431 HZ3 LYS 56 HZ3 LYS 56 -20.382 24.742 5.227 432 H LYS 57 HN LYS 57 -21.823 19.484 8.111 433 HA LYS 57 HA LYS 57 -22.929 16.954 7.911 434 HB2 LYS 57 HB2 LYS 57 -23.835 18.858 9.238 435 HB3 LYS 57 HB1 LYS 57 -24.420 19.574 7.746 436 HG2 LYS 57 HG2 LYS 57 -26.234 18.473 8.853 437 HG3 LYS 57 HG1 LYS 57 -25.830 17.572 7.391 438 HD2 LYS 57 HD2 LYS 57 -24.610 15.936 8.690 439 HD3 LYS 57 HD1 LYS 57 -24.869 16.872 10.164 440 HE2 LYS 57 HE2 LYS 57 -27.305 16.560 9.870 441 HE3 LYS 57 HE1 LYS 57 -26.976 15.526 8.481 442 HZ1 LYS 57 HZ1 LYS 57 -25.808 14.003 9.915 443 HZ2 LYS 57 HZ2 LYS 57 -27.364 14.259 10.515 444 HZ3 LYS 57 HZ3 LYS 57 -26.038 15.012 11.249 445 H TRP 58 HN TRP 58 -23.059 19.618 5.589 446 HA TRP 58 HA TRP 58 -24.876 18.468 3.774 447 HB2 TRP 58 HB2 TRP 58 -22.579 20.347 3.168 448 HB3 TRP 58 HB1 TRP 58 -23.953 20.030 2.118 449 HD1 TRP 58 HD1 TRP 58 -22.946 21.950 5.242 450 HE1 TRP 58 HE1 TRP 58 -24.796 23.638 5.816 451 HE3 TRP 58 HE3 TRP 58 -26.498 20.416 1.904 452 HZ2 TRP 58 HZ2 TRP 58 -27.419 24.243 4.965 453 HZ3 TRP 58 HZ3 TRP 58 -28.651 21.605 1.847 454 HH2 TRP 58 HH2 TRP 58 -29.100 23.478 3.347 455 H VAL 59 HN VAL 59 -21.395 18.347 4.032 456 HA VAL 59 HA VAL 59 -20.930 16.917 1.641 457 HB VAL 59 HB VAL 59 -19.205 17.070 4.128 458 HG11 VAL 59 HG11 VAL 59 -18.536 16.323 1.290 459 HG12 VAL 59 HG12 VAL 59 -18.507 15.257 2.695 460 HG13 VAL 59 HG13 VAL 59 -17.354 16.588 2.566 461 HG21 VAL 59 HG21 VAL 59 -19.165 18.779 1.642 462 HG22 VAL 59 HG22 VAL 59 -18.047 18.897 3.002 463 HG23 VAL 59 HG23 VAL 59 -19.754 19.282 3.225 464 H GLN 60 HN GLN 60 -21.481 16.023 4.974 465 HA GLN 60 HA GLN 60 -20.948 13.273 4.717 466 HB2 GLN 60 HB2 GLN 60 -22.650 14.830 6.660 467 HB3 GLN 60 HB1 GLN 60 -22.378 13.099 6.798 468 HG2 GLN 60 HG2 GLN 60 -20.132 15.075 6.697 469 HG3 GLN 60 HG1 GLN 60 -20.919 14.618 8.202 470 HE21 GLN 60 HE21 GLN 60 -18.878 13.572 5.608 471 HE22 GLN 60 HE22 GLN 60 -18.324 12.114 6.348 472 H GLU 61 HN GLU 61 -23.890 15.195 4.428 473 HA GLU 61 HA GLU 61 -25.633 13.031 4.017 474 HB2 GLU 61 HB2 GLU 61 -25.790 15.903 3.119 475 HB3 GLU 61 HB1 GLU 61 -27.107 14.748 2.953 476 HG2 GLU 61 HG2 GLU 61 -25.826 15.462 5.564 477 HG3 GLU 61 HG1 GLU 61 -27.260 16.253 4.925 478 H TYR 62 HN TYR 62 -23.845 15.097 1.789 479 HA TYR 62 HA TYR 62 -24.901 13.855 -0.532 480 HB2 TYR 62 HB2 TYR 62 -22.583 15.688 -0.047 481 HB3 TYR 62 HB1 TYR 62 -22.784 14.921 -1.622 482 HD1 TYR 62 HD1 TYR 62 -24.692 16.919 0.887 483 HD2 TYR 62 HD2 TYR 62 -24.151 15.923 -3.206 484 HE1 TYR 62 HE1 TYR 62 -26.367 18.600 0.269 485 HE2 TYR 62 HE2 TYR 62 -25.822 17.608 -3.836 486 HH TYR 62 HH TYR 62 -26.938 19.973 -1.739 487 H ILE 63 HN ILE 63 -22.056 13.256 1.408 488 HA ILE 63 HA ILE 63 -20.898 11.283 -0.253 489 HB ILE 63 HB ILE 63 -20.737 11.832 2.705 490 HG12 ILE 63 HG12 ILE 63 -18.654 11.952 0.515 491 HG13 ILE 63 HG11 ILE 63 -19.542 13.332 1.152 492 HG21 ILE 63 HG21 ILE 63 -20.578 9.431 2.504 493 HG22 ILE 63 HG22 ILE 63 -19.006 10.115 2.925 494 HG23 ILE 63 HG23 ILE 63 -19.326 9.591 1.270 495 HD11 ILE 63 HD11 ILE 63 -17.349 13.263 2.121 496 HD12 ILE 63 HD12 ILE 63 -17.592 11.600 2.652 497 HD13 ILE 63 HD13 ILE 63 -18.542 12.903 3.368 498 H ASN 64 HN ASN 64 -23.147 11.066 2.454 499 HA ASN 64 HA ASN 64 -23.360 8.259 2.426 500 HB2 ASN 64 HB2 ASN 64 -24.269 8.763 4.407 501 HB3 ASN 64 HB1 ASN 64 -24.433 10.450 3.948 502 HD21 ASN 64 HD21 ASN 64 -26.367 11.178 3.164 503 HD22 ASN 64 HD22 ASN 64 -27.840 10.286 3.329 504 H TYR 65 HN TYR 65 -25.084 10.801 0.747 505 HA TYR 65 HA TYR 65 -27.112 9.055 -0.269 506 HB2 TYR 65 HB2 TYR 65 -26.332 11.887 -0.868 507 HB3 TYR 65 HB1 TYR 65 -27.456 11.037 -1.920 508 HD1 TYR 65 HD1 TYR 65 -27.359 13.305 0.622 509 HD2 TYR 65 HD2 TYR 65 -29.288 9.648 -0.368 510 HE1 TYR 65 HE1 TYR 65 -29.196 13.868 2.146 511 HE2 TYR 65 HE2 TYR 65 -31.132 10.204 1.154 512 HH TYR 65 HH TYR 65 -31.569 13.295 2.458 513 H LEU 66 HN LEU 66 -24.087 10.372 -1.550 514 HA LEU 66 HA LEU 66 -24.509 9.232 -4.133 515 HB2 LEU 66 HB2 LEU 66 -22.039 10.353 -2.830 516 HB3 LEU 66 HB1 LEU 66 -22.065 9.744 -4.472 517 HG LEU 66 HG LEU 66 -23.701 12.051 -3.437 518 HD11 LEU 66 HD11 LEU 66 -21.326 12.562 -3.505 519 HD12 LEU 66 HD12 LEU 66 -22.189 13.424 -4.778 520 HD13 LEU 66 HD13 LEU 66 -21.237 11.993 -5.172 521 HD21 LEU 66 HD21 LEU 66 -24.803 10.864 -5.267 522 HD22 LEU 66 HD22 LEU 66 -23.332 10.968 -6.233 523 HD23 LEU 66 HD23 LEU 66 -24.211 12.434 -5.803 524 H GLU 67 HN GLU 67 -23.044 8.069 -1.185 525 HA GLU 67 HA GLU 67 -21.731 5.869 -2.471 526 HB2 GLU 67 HB2 GLU 67 -21.079 5.145 -0.319 527 HB3 GLU 67 HB1 GLU 67 -21.071 6.904 -0.245 528 HG2 GLU 67 HG2 GLU 67 -23.063 6.963 0.997 529 HG3 GLU 67 HG1 GLU 67 -23.392 5.258 0.695 530 H MET 68 HN MET 68 -24.927 6.464 -1.336 531 HA MET 68 HA MET 68 -25.554 3.604 -1.347 532 HB2 MET 68 HB2 MET 68 -27.663 4.161 -0.318 533 HB3 MET 68 HB1 MET 68 -26.369 4.960 0.560 534 HG2 MET 68 HG2 MET 68 -26.894 7.058 -0.611 535 HG3 MET 68 HG1 MET 68 -28.224 6.241 -1.435 536 HE1 MET 68 HE1 MET 68 -29.283 4.350 0.976 537 HE2 MET 68 HE2 MET 68 -30.337 5.223 -0.135 538 HE3 MET 68 HE3 MET 68 -30.577 5.368 1.605 539 H SER 69 HN SER 69 -26.115 6.535 -3.130 540 HA SER 69 HA SER 69 -27.130 6.990 -5.104 541 HB2 SER 69 HB2 SER 69 -25.483 5.292 -5.888 542 HB3 SER 69 HB1 SER 69 -26.688 4.034 -5.634 543 HG SER 69 HG SER 69 -26.567 4.766 -7.815 544 H1 MET 1 HT1 MET 1 -19.581 28.998 -15.988 545 HA MET 1 HA MET 1 -18.289 29.728 -17.832 546 HB2 MET 1 HB2 MET 1 -18.530 31.981 -18.729 547 HB3 MET 1 HB1 MET 1 -20.037 31.095 -18.910 548 HG2 MET 1 HG2 MET 1 -20.962 32.244 -16.977 549 HG3 MET 1 HG1 MET 1 -19.444 33.109 -16.753 550 HE1 MET 1 HE1 MET 1 -19.319 35.384 -19.939 551 HE2 MET 1 HE2 MET 1 -18.627 33.771 -19.787 552 HE3 MET 1 HE3 MET 1 -18.504 34.912 -18.448 553 H SER 2 HN SER 2 -18.920 30.305 -14.716 554 HA SER 2 HA SER 2 -16.325 31.523 -14.295 555 HB2 SER 2 HB2 SER 2 -17.906 33.423 -14.365 556 HB3 SER 2 HB1 SER 2 -18.839 32.678 -13.068 557 HG SER 2 HG SER 2 -17.314 33.177 -11.645 558 HA PRO 3 HA PRO 3 -16.972 28.259 -11.237 559 HB2 PRO 3 HB2 PRO 3 -14.444 27.378 -11.184 560 HB3 PRO 3 HB1 PRO 3 -15.530 26.975 -12.520 561 HG2 PRO 3 HG2 PRO 3 -13.350 29.011 -12.398 562 HG3 PRO 3 HG1 PRO 3 -13.814 27.943 -13.734 563 HD2 PRO 3 HD2 PRO 3 -14.543 30.610 -13.496 564 HD3 PRO 3 HD1 PRO 3 -15.382 29.413 -14.499 565 H TYR 4 HN TYR 4 -16.508 28.189 -9.061 566 HA TYR 4 HA TYR 4 -15.334 30.593 -7.952 567 HB2 TYR 4 HB2 TYR 4 -16.746 28.259 -6.650 568 HB3 TYR 4 HB1 TYR 4 -16.133 29.659 -5.774 569 HD1 TYR 4 HD1 TYR 4 -18.834 28.342 -7.770 570 HD2 TYR 4 HD2 TYR 4 -17.088 31.917 -6.276 571 HE1 TYR 4 HE1 TYR 4 -20.926 29.551 -8.226 572 HE2 TYR 4 HE2 TYR 4 -19.172 33.133 -6.722 573 HH TYR 4 HH TYR 4 -22.087 31.599 -7.401 574 H GLY 5 HN GLY 5 -14.691 27.178 -8.187 575 HA2 GLY 5 HA2 GLY 5 -12.435 26.402 -8.286 576 HA3 GLY 5 HA1 GLY 5 -11.969 27.727 -7.228 577 H SER 6 HN SER 6 -11.186 26.836 -5.454 578 HA SER 6 HA SER 6 -10.991 25.605 -3.556 579 HB2 SER 6 HB2 SER 6 -13.997 25.305 -3.793 580 HB3 SER 6 HB1 SER 6 -13.036 25.090 -2.328 581 HG SER 6 HG SER 6 -12.760 27.503 -3.676 582 H ASP 7 HN ASP 7 -10.539 24.312 -5.981 583 HA ASP 7 HA ASP 7 -11.539 21.610 -5.435 584 HB2 ASP 7 HB2 ASP 7 -11.339 21.114 -7.807 585 HB3 ASP 7 HB1 ASP 7 -12.403 22.487 -7.546 586 H THR 8 HN THR 8 -10.024 20.111 -6.936 587 HA THR 8 HA THR 8 -7.907 19.384 -5.454 588 HB THR 8 HB THR 8 -7.027 18.401 -7.704 589 HG1 THR 8 HG1 THR 8 -8.663 20.041 -8.704 590 HG21 THR 8 HG21 THR 8 -8.742 16.646 -7.567 591 HG22 THR 8 HG22 THR 8 -9.735 17.700 -6.560 592 HG23 THR 8 HG23 THR 8 -8.175 17.123 -5.966 593 H THR 9 HN THR 9 -6.078 20.273 -4.912 594 HA THR 9 HA THR 9 -4.773 22.152 -6.725 595 HB THR 9 HB THR 9 -4.318 21.565 -3.791 596 HG1 THR 9 HG1 THR 9 -6.259 22.793 -4.542 597 HG21 THR 9 HG21 THR 9 -2.786 23.451 -3.801 598 HG22 THR 9 HG22 THR 9 -3.078 23.714 -5.522 599 HG23 THR 9 HG23 THR 9 -2.252 22.253 -4.980 600 HA PRO 10 HA PRO 10 -1.972 18.788 -7.595 601 HB2 PRO 10 HB2 PRO 10 -0.624 20.633 -9.382 602 HB3 PRO 10 HB1 PRO 10 -1.576 19.201 -9.776 603 HG2 PRO 10 HG2 PRO 10 -2.374 21.761 -10.335 604 HG3 PRO 10 HG1 PRO 10 -3.478 20.391 -10.129 605 HD2 PRO 10 HD2 PRO 10 -2.787 22.577 -8.227 606 HD3 PRO 10 HD1 PRO 10 -4.330 21.736 -8.489 607 H CYS 11 HN CYS 11 -0.724 18.620 -5.815 608 HA CYS 11 HA CYS 11 1.472 20.551 -5.533 609 HB2 CYS 11 HB2 CYS 11 -0.398 20.783 -3.799 610 HB3 CYS 11 HB1 CYS 11 0.102 19.207 -3.199 611 H CYS 12 HN CYS 12 3.086 19.405 -3.788 612 HA CYS 12 HA CYS 12 3.271 16.595 -3.896 613 HB2 CYS 12 HB2 CYS 12 3.785 17.522 -6.319 614 HB3 CYS 12 HB1 CYS 12 5.371 17.809 -5.615 615 H PHE 13 HN PHE 13 5.092 15.804 -2.766 616 HA PHE 13 HA PHE 13 6.924 17.783 -1.610 617 HB2 PHE 13 HB2 PHE 13 5.567 15.735 0.152 618 HB3 PHE 13 HB1 PHE 13 6.521 17.128 0.634 619 HD1 PHE 13 HD1 PHE 13 3.240 15.951 -0.461 620 HD2 PHE 13 HD2 PHE 13 5.527 19.346 0.699 621 HE1 PHE 13 HE1 PHE 13 1.166 17.238 -0.161 622 HE2 PHE 13 HE2 PHE 13 3.452 20.640 1.002 623 HZ PHE 13 HZ PHE 13 1.271 19.586 0.571 624 H ALA 14 HN ALA 14 8.047 16.308 -3.445 625 HA ALA 14 HA ALA 14 9.533 14.301 -1.980 626 HB1 ALA 14 HB1 ALA 14 7.634 13.030 -2.870 627 HB2 ALA 14 HB2 ALA 14 9.152 12.539 -3.623 628 HB3 ALA 14 HB3 ALA 14 8.031 13.581 -4.498 629 H TYR 15 HN TYR 15 11.086 13.221 -3.745 630 HA TYR 15 HA TYR 15 11.903 14.906 -5.880 631 HB2 TYR 15 HB2 TYR 15 14.131 15.493 -5.011 632 HB3 TYR 15 HB1 TYR 15 12.866 16.216 -4.030 633 HD1 TYR 15 HD1 TYR 15 15.504 13.655 -4.132 634 HD2 TYR 15 HD2 TYR 15 12.562 15.564 -1.719 635 HE1 TYR 15 HE1 TYR 15 16.532 12.686 -2.123 636 HE2 TYR 15 HE2 TYR 15 13.584 14.596 0.298 637 HH TYR 15 HH TYR 15 15.007 12.773 0.954 638 H LEU 16 HN LEU 16 13.939 14.015 -6.881 639 HA LEU 16 HA LEU 16 14.300 11.186 -6.240 640 HB2 LEU 16 HB2 LEU 16 13.276 12.367 -8.720 641 HB3 LEU 16 HB1 LEU 16 14.567 11.203 -8.942 642 HG LEU 16 HG LEU 16 12.247 10.508 -7.215 643 HD11 LEU 16 HD11 LEU 16 11.252 11.333 -9.305 644 HD12 LEU 16 HD12 LEU 16 11.091 9.581 -9.191 645 HD13 LEU 16 HD13 LEU 16 12.326 10.287 -10.233 646 HD21 LEU 16 HD21 LEU 16 14.088 8.917 -8.987 647 HD22 LEU 16 HD22 LEU 16 12.773 8.249 -8.021 648 HD23 LEU 16 HD23 LEU 16 14.143 9.023 -7.227 649 H SER 17 HN SER 17 16.251 10.496 -6.262 650 HA SER 17 HA SER 17 18.408 12.374 -6.708 651 HB2 SER 17 HB2 SER 17 18.489 9.456 -5.918 652 HB3 SER 17 HB1 SER 17 19.840 10.589 -5.828 653 HG SER 17 HG SER 17 19.110 11.172 -3.955 654 H LEU 18 HN LEU 18 16.907 9.676 -8.243 655 HA LEU 18 HA LEU 18 18.927 9.363 -10.286 656 HB2 LEU 18 HB2 LEU 18 16.135 8.219 -10.095 657 HB3 LEU 18 HB1 LEU 18 17.373 7.716 -11.226 658 HG LEU 18 HG LEU 18 17.490 7.369 -8.231 659 HD11 LEU 18 HD11 LEU 18 15.850 5.911 -9.271 660 HD12 LEU 18 HD12 LEU 18 17.252 4.990 -8.725 661 HD13 LEU 18 HD13 LEU 18 17.055 5.366 -10.437 662 HD21 LEU 18 HD21 LEU 18 19.386 6.457 -10.394 663 HD22 LEU 18 HD22 LEU 18 19.480 6.009 -8.691 664 HD23 LEU 18 HD23 LEU 18 19.709 7.689 -9.173 665 H ALA 19 HN ALA 19 18.106 11.961 -10.162 666 HA ALA 19 HA ALA 19 15.964 12.791 -11.718 667 HB1 ALA 19 HB1 ALA 19 18.634 14.170 -11.400 668 HB2 ALA 19 HB2 ALA 19 17.298 14.272 -10.260 669 HB3 ALA 19 HB3 ALA 19 17.118 14.928 -11.888 670 H LEU 20 HN LEU 20 15.524 12.451 -13.758 671 HA LEU 20 HA LEU 20 17.256 11.256 -15.589 672 HB2 LEU 20 HB2 LEU 20 15.473 11.946 -17.286 673 HB3 LEU 20 HB1 LEU 20 14.993 10.884 -15.983 674 HG LEU 20 HG LEU 20 14.196 13.077 -14.818 675 HD11 LEU 20 HD11 LEU 20 13.432 14.807 -16.349 676 HD12 LEU 20 HD12 LEU 20 14.197 13.964 -17.697 677 HD13 LEU 20 HD13 LEU 20 15.187 14.638 -16.403 678 HD21 LEU 20 HD21 LEU 20 12.010 12.847 -15.878 679 HD22 LEU 20 HD22 LEU 20 12.733 11.275 -15.535 680 HD23 LEU 20 HD23 LEU 20 12.740 11.909 -17.181 681 HA PRO 21 HA PRO 21 19.899 14.351 -17.189 682 HB2 PRO 21 HB2 PRO 21 19.762 13.674 -19.892 683 HB3 PRO 21 HB1 PRO 21 20.848 12.951 -18.703 684 HG2 PRO 21 HG2 PRO 21 18.219 11.961 -19.716 685 HG3 PRO 21 HG1 PRO 21 19.692 11.050 -19.338 686 HD2 PRO 21 HD2 PRO 21 17.622 11.038 -17.672 687 HD3 PRO 21 HD1 PRO 21 19.285 11.107 -17.047 688 H ARG 22 HN ARG 22 19.980 16.243 -18.428 689 HA ARG 22 HA ARG 22 17.575 17.696 -18.519 690 HB2 ARG 22 HB2 ARG 22 20.217 18.369 -19.816 691 HB3 ARG 22 HB1 ARG 22 18.911 19.497 -19.487 692 HG2 ARG 22 HG2 ARG 22 19.207 19.237 -17.115 693 HG3 ARG 22 HG1 ARG 22 20.394 17.958 -17.369 694 HD2 ARG 22 HD2 ARG 22 20.686 20.815 -18.265 695 HD3 ARG 22 HD1 ARG 22 21.421 20.124 -16.822 696 HE ARG 22 HE ARG 22 22.077 19.336 -19.591 697 HH11 ARG 22 HH11 ARG 22 22.971 19.646 -16.209 698 HH12 ARG 22 HH12 ARG 22 24.636 19.284 -16.481 699 HH21 ARG 22 HH21 ARG 22 24.300 18.856 -19.948 700 HH22 ARG 22 HH22 ARG 22 25.398 18.840 -18.611 701 H ALA 23 HN ALA 23 19.201 15.783 -20.892 702 HA ALA 23 HA ALA 23 17.949 16.879 -23.198 703 HB1 ALA 23 HB1 ALA 23 20.007 15.561 -23.328 704 HB2 ALA 23 HB2 ALA 23 18.737 14.872 -24.341 705 HB3 ALA 23 HB3 ALA 23 19.126 14.131 -22.789 706 H HIS 24 HN HIS 24 16.849 14.791 -20.702 707 HA HIS 24 HA HIS 24 14.658 13.766 -22.327 708 HB2 HIS 24 HB2 HIS 24 15.788 13.045 -19.651 709 HB3 HIS 24 HB1 HIS 24 14.155 12.559 -20.080 710 HD1 HIS 24 HD1 HIS 24 14.075 10.272 -21.035 711 HD2 HIS 24 HD2 HIS 24 17.677 12.171 -21.874 712 HE1 HIS 24 HE1 HIS 24 15.437 8.597 -22.308 713 H VAL 25 HN VAL 25 15.361 16.239 -20.100 714 HA VAL 25 HA VAL 25 12.559 16.577 -19.396 715 HB VAL 25 HB VAL 25 14.554 16.930 -17.754 716 HG11 VAL 25 HG11 VAL 25 15.515 19.121 -17.656 717 HG12 VAL 25 HG12 VAL 25 14.535 19.662 -19.012 718 HG13 VAL 25 HG13 VAL 25 15.800 18.457 -19.267 719 HG21 VAL 25 HG21 VAL 25 13.311 18.650 -16.528 720 HG22 VAL 25 HG22 VAL 25 12.248 17.401 -17.178 721 HG23 VAL 25 HG23 VAL 25 12.350 18.973 -17.970 722 H LYS 26 HN LYS 26 11.437 18.527 -19.868 723 HA LYS 26 HA LYS 26 12.413 19.788 -22.330 724 HB2 LYS 26 HB2 LYS 26 10.239 18.490 -22.365 725 HB3 LYS 26 HB1 LYS 26 9.577 19.708 -21.289 726 HG2 LYS 26 HG2 LYS 26 9.608 21.356 -22.929 727 HG3 LYS 26 HG1 LYS 26 10.768 20.474 -23.926 728 HD2 LYS 26 HD2 LYS 26 8.553 20.351 -24.926 729 HD3 LYS 26 HD1 LYS 26 9.057 18.757 -24.373 730 HE2 LYS 26 HE2 LYS 26 6.743 19.098 -23.799 731 HE3 LYS 26 HE1 LYS 26 7.703 19.092 -22.323 732 HZ1 LYS 26 HZ1 LYS 26 6.848 21.563 -23.719 733 HZ2 LYS 26 HZ2 LYS 26 7.564 21.440 -22.181 734 HZ3 LYS 26 HZ3 LYS 26 5.999 20.865 -22.434 735 H GLU 27 HN GLU 27 10.788 20.447 -19.247 736 HA GLU 27 HA GLU 27 12.305 22.842 -18.912 737 HB2 GLU 27 HB2 GLU 27 10.426 24.404 -18.732 738 HB3 GLU 27 HB1 GLU 27 10.540 23.729 -20.349 739 HG2 GLU 27 HG2 GLU 27 8.743 22.376 -18.458 740 HG3 GLU 27 HG1 GLU 27 8.258 23.972 -19.034 741 H TYR 28 HN TYR 28 11.040 24.087 -16.901 742 HA TYR 28 HA TYR 28 10.308 22.092 -14.936 743 HB2 TYR 28 HB2 TYR 28 11.913 22.819 -13.327 744 HB3 TYR 28 HB1 TYR 28 12.818 22.550 -14.809 745 HD1 TYR 28 HD1 TYR 28 11.792 24.963 -12.315 746 HD2 TYR 28 HD2 TYR 28 13.609 24.524 -16.139 747 HE1 TYR 28 HE1 TYR 28 12.681 27.246 -12.149 748 HE2 TYR 28 HE2 TYR 28 14.511 26.813 -15.977 749 HH TYR 28 HH TYR 28 14.053 28.881 -14.817 750 H PHE 29 HN PHE 29 9.163 23.017 -13.190 751 HA PHE 29 HA PHE 29 8.386 25.804 -13.407 752 HB2 PHE 29 HB2 PHE 29 6.633 23.480 -14.018 753 HB3 PHE 29 HB1 PHE 29 5.905 24.901 -13.254 754 HD1 PHE 29 HD1 PHE 29 6.495 23.291 -16.251 755 HD2 PHE 29 HD2 PHE 29 6.666 27.171 -14.516 756 HE1 PHE 29 HE1 PHE 29 6.298 24.293 -18.484 757 HE2 PHE 29 HE2 PHE 29 6.469 28.181 -16.749 758 HZ PHE 29 HZ PHE 29 6.286 26.737 -18.737 759 H TYR 30 HN TYR 30 6.570 26.119 -11.629 760 HA TYR 30 HA TYR 30 7.555 24.718 -9.255 761 HB2 TYR 30 HB2 TYR 30 6.507 27.514 -9.619 762 HB3 TYR 30 HB1 TYR 30 6.583 26.755 -8.031 763 HD1 TYR 30 HD1 TYR 30 8.667 27.751 -10.945 764 HD2 TYR 30 HD2 TYR 30 8.596 26.709 -6.821 765 HE1 TYR 30 HE1 TYR 30 11.026 28.406 -10.743 766 HE2 TYR 30 HE2 TYR 30 10.955 27.364 -6.608 767 HH TYR 30 HH TYR 30 12.586 29.140 -8.971 768 H THR 31 HN THR 31 5.961 24.507 -7.487 769 HA THR 31 HA THR 31 3.676 23.137 -8.433 770 HB THR 31 HB THR 31 3.116 23.061 -5.923 771 HG1 THR 31 HG1 THR 31 4.230 24.666 -5.007 772 HG21 THR 31 HG21 THR 31 5.791 22.021 -6.870 773 HG22 THR 31 HG22 THR 31 4.232 21.240 -7.136 774 HG23 THR 31 HG23 THR 31 4.864 21.408 -5.498 775 H SER 32 HN SER 32 1.553 23.628 -6.989 776 HA SER 32 HA SER 32 0.497 25.996 -8.154 777 HB2 SER 32 HB2 SER 32 -0.760 24.142 -6.129 778 HB3 SER 32 HB1 SER 32 -1.603 25.273 -7.187 779 HG SER 32 HG SER 32 -0.501 22.794 -7.735 780 H SER 33 HN SER 33 -0.645 27.679 -6.974 781 HA SER 33 HA SER 33 0.971 28.811 -4.925 782 HB2 SER 33 HB2 SER 33 -1.772 29.693 -5.847 783 HB3 SER 33 HB1 SER 33 -0.559 30.677 -5.027 784 HG SER 33 HG SER 33 0.767 30.493 -6.842 785 H LYS 34 HN LYS 34 -1.802 26.774 -4.939 786 HA LYS 34 HA LYS 34 -2.629 27.461 -2.247 787 HB2 LYS 34 HB2 LYS 34 -3.606 25.229 -4.034 788 HB3 LYS 34 HB1 LYS 34 -4.373 25.790 -2.559 789 HG2 LYS 34 HG2 LYS 34 -4.040 27.405 -5.082 790 HG3 LYS 34 HG1 LYS 34 -5.514 26.580 -4.576 791 HD2 LYS 34 HD2 LYS 34 -5.560 27.973 -2.540 792 HD3 LYS 34 HD1 LYS 34 -4.122 28.821 -3.113 793 HE2 LYS 34 HE2 LYS 34 -5.356 29.543 -5.107 794 HE3 LYS 34 HE1 LYS 34 -6.791 28.713 -4.511 795 HZ1 LYS 34 HZ1 LYS 34 -6.870 31.070 -4.026 796 HZ2 LYS 34 HZ2 LYS 34 -5.419 30.976 -3.165 797 HZ3 LYS 34 HZ3 LYS 34 -6.793 30.181 -2.589 798 H CYS 35 HN CYS 35 -0.135 25.705 -3.445 799 HA CYS 35 HA CYS 35 -0.239 23.298 -1.973 800 HB2 CYS 35 HB2 CYS 35 2.023 24.825 -3.233 801 HB3 CYS 35 HB1 CYS 35 2.282 23.318 -2.363 802 H SER 36 HN SER 36 0.927 22.662 -0.132 803 HA SER 36 HA SER 36 1.184 24.784 1.842 804 HB2 SER 36 HB2 SER 36 1.279 21.777 2.165 805 HB3 SER 36 HB1 SER 36 1.262 22.953 3.480 806 HG SER 36 HG SER 36 -0.757 23.385 1.719 807 H ASN 37 HN ASN 37 3.141 23.378 -0.352 808 HA ASN 37 HA ASN 37 5.523 24.309 0.963 809 HB2 ASN 37 HB2 ASN 37 5.478 22.037 1.839 810 HB3 ASN 37 HB1 ASN 37 5.221 21.391 0.223 811 HD21 ASN 37 HD21 ASN 37 6.942 21.280 -1.208 812 HD22 ASN 37 HD22 ASN 37 8.584 21.494 -0.700 813 H LEU 38 HN LEU 38 6.416 25.488 -0.568 814 HA LEU 38 HA LEU 38 5.793 25.198 -3.300 815 HB2 LEU 38 HB2 LEU 38 6.471 27.330 -2.281 816 HB3 LEU 38 HB1 LEU 38 8.083 26.690 -2.030 817 HG LEU 38 HG LEU 38 8.313 26.449 -4.505 818 HD11 LEU 38 HD11 LEU 38 5.721 27.984 -4.531 819 HD12 LEU 38 HD12 LEU 38 5.974 26.339 -5.114 820 HD13 LEU 38 HD13 LEU 38 6.752 27.695 -5.931 821 HD21 LEU 38 HD21 LEU 38 8.667 28.825 -4.920 822 HD22 LEU 38 HD22 LEU 38 9.255 28.350 -3.326 823 HD23 LEU 38 HD23 LEU 38 7.727 29.218 -3.480 824 H ALA 39 HN ALA 39 6.546 23.851 -4.714 825 HA ALA 39 HA ALA 39 9.271 22.819 -4.460 826 HB1 ALA 39 HB1 ALA 39 6.808 21.146 -4.968 827 HB2 ALA 39 HB2 ALA 39 7.818 21.100 -3.522 828 HB3 ALA 39 HB3 ALA 39 8.469 20.561 -5.071 829 H VAL 40 HN VAL 40 9.634 21.445 -6.671 830 HA VAL 40 HA VAL 40 8.465 23.101 -8.784 831 HB VAL 40 HB VAL 40 10.460 23.014 -10.084 832 HG11 VAL 40 HG11 VAL 40 12.044 24.238 -8.689 833 HG12 VAL 40 HG12 VAL 40 11.141 23.750 -7.253 834 HG13 VAL 40 HG13 VAL 40 10.383 24.784 -8.466 835 HG21 VAL 40 HG21 VAL 40 11.203 20.782 -9.562 836 HG22 VAL 40 HG22 VAL 40 11.653 21.282 -7.929 837 HG23 VAL 40 HG23 VAL 40 12.514 21.936 -9.327 838 H VAL 41 HN VAL 41 8.369 22.109 -10.856 839 HA VAL 41 HA VAL 41 8.145 19.189 -10.764 840 HB VAL 41 HB VAL 41 6.104 21.014 -12.064 841 HG11 VAL 41 HG11 VAL 41 6.140 18.031 -11.659 842 HG12 VAL 41 HG12 VAL 41 6.352 18.887 -13.186 843 HG13 VAL 41 HG13 VAL 41 4.804 18.957 -12.342 844 HG21 VAL 41 HG21 VAL 41 5.858 19.414 -9.513 845 HG22 VAL 41 HG22 VAL 41 4.550 20.296 -10.304 846 HG23 VAL 41 HG23 VAL 41 5.926 21.172 -9.634 847 H PHE 42 HN PHE 42 9.256 18.309 -12.357 848 HA PHE 42 HA PHE 42 10.162 19.997 -14.560 849 HB2 PHE 42 HB2 PHE 42 11.039 17.289 -13.577 850 HB3 PHE 42 HB1 PHE 42 11.653 18.018 -15.053 851 HD1 PHE 42 HD1 PHE 42 11.776 17.989 -11.444 852 HD2 PHE 42 HD2 PHE 42 12.993 20.080 -14.939 853 HE1 PHE 42 HE1 PHE 42 13.460 19.203 -10.127 854 HE2 PHE 42 HE2 PHE 42 14.682 21.295 -13.638 855 HZ PHE 42 HZ PHE 42 14.925 20.858 -11.227 856 H VAL 43 HN VAL 43 9.471 19.780 -16.557 857 HA VAL 43 HA VAL 43 7.487 17.692 -17.089 858 HB VAL 43 HB VAL 43 8.124 20.188 -18.675 859 HG11 VAL 43 HG11 VAL 43 6.024 19.742 -19.828 860 HG12 VAL 43 HG12 VAL 43 5.836 18.237 -18.916 861 HG13 VAL 43 HG13 VAL 43 7.181 18.430 -20.043 862 HG21 VAL 43 HG21 VAL 43 6.025 21.090 -17.775 863 HG22 VAL 43 HG22 VAL 43 7.203 20.774 -16.501 864 HG23 VAL 43 HG23 VAL 43 5.858 19.663 -16.753 865 H THR 44 HN THR 44 8.173 15.978 -18.206 866 HA THR 44 HA THR 44 10.745 16.048 -19.495 867 HB THR 44 HB THR 44 10.334 13.651 -19.970 868 HG1 THR 44 HG1 THR 44 8.055 13.730 -18.347 869 HG21 THR 44 HG21 THR 44 11.361 14.326 -17.851 870 HG22 THR 44 HG22 THR 44 10.340 12.902 -17.639 871 HG23 THR 44 HG23 THR 44 9.759 14.487 -17.129 872 H ARG 45 HN ARG 45 10.908 14.872 -21.661 873 HA ARG 45 HA ARG 45 9.541 16.409 -23.607 874 HB2 ARG 45 HB2 ARG 45 11.187 13.896 -23.933 875 HB3 ARG 45 HB1 ARG 45 10.704 14.967 -25.238 876 HG2 ARG 45 HG2 ARG 45 12.444 15.776 -22.919 877 HG3 ARG 45 HG1 ARG 45 13.039 15.288 -24.507 878 HD2 ARG 45 HD2 ARG 45 11.884 17.135 -25.543 879 HD3 ARG 45 HD1 ARG 45 11.168 17.594 -24.001 880 HE ARG 45 HE ARG 45 13.573 17.950 -23.276 881 HH11 ARG 45 HH11 ARG 45 12.489 18.363 -26.580 882 HH12 ARG 45 HH12 ARG 45 13.697 19.531 -26.969 883 HH21 ARG 45 HH21 ARG 45 15.170 19.517 -23.780 884 HH22 ARG 45 HH22 ARG 45 15.225 20.199 -25.367 885 H ARG 46 HN ARG 46 8.721 13.600 -21.955 886 HA ARG 46 HA ARG 46 6.809 12.729 -23.997 887 HB2 ARG 46 HB2 ARG 46 7.669 11.466 -21.392 888 HB3 ARG 46 HB1 ARG 46 6.479 10.782 -22.492 889 HG2 ARG 46 HG2 ARG 46 8.127 10.503 -24.197 890 HG3 ARG 46 HG1 ARG 46 9.328 11.365 -23.236 891 HD2 ARG 46 HD2 ARG 46 9.309 9.634 -21.575 892 HD3 ARG 46 HD1 ARG 46 7.999 8.796 -22.403 893 HE ARG 46 HE ARG 46 9.649 8.599 -24.311 894 HH11 ARG 46 HH11 ARG 46 10.669 8.695 -20.953 895 HH12 ARG 46 HH12 ARG 46 12.115 7.798 -21.229 896 HH21 ARG 46 HH21 ARG 46 11.577 7.407 -24.679 897 HH22 ARG 46 HH22 ARG 46 12.636 7.069 -23.354 898 H ASN 47 HN ASN 47 6.832 15.058 -21.899 899 HA ASN 47 HA ASN 47 5.239 16.318 -20.914 900 HB2 ASN 47 HB2 ASN 47 3.347 14.318 -22.146 901 HB3 ASN 47 HB1 ASN 47 2.867 15.852 -21.422 902 HD21 ASN 47 HD21 ASN 47 2.916 14.597 -24.211 903 HD22 ASN 47 HD22 ASN 47 3.544 15.856 -25.208 904 H ARG 48 HN ARG 48 6.397 13.786 -19.713 905 HA ARG 48 HA ARG 48 4.342 13.225 -17.692 906 HB2 ARG 48 HB2 ARG 48 5.738 11.361 -18.799 907 HB3 ARG 48 HB1 ARG 48 7.096 11.966 -17.868 908 HG2 ARG 48 HG2 ARG 48 4.524 11.030 -16.595 909 HG3 ARG 48 HG1 ARG 48 5.886 9.961 -16.910 910 HD2 ARG 48 HD2 ARG 48 7.308 11.366 -15.481 911 HD3 ARG 48 HD1 ARG 48 5.940 12.434 -15.172 912 HE ARG 48 HE ARG 48 5.224 9.807 -14.466 913 HH11 ARG 48 HH11 ARG 48 7.318 12.389 -13.358 914 HH12 ARG 48 HH12 ARG 48 7.283 11.884 -11.704 915 HH21 ARG 48 HH21 ARG 48 5.183 9.147 -12.267 916 HH22 ARG 48 HH22 ARG 48 6.091 10.040 -11.093 917 H GLN 49 HN GLN 49 4.289 14.688 -16.146 918 HA GLN 49 HA GLN 49 6.624 16.258 -15.537 919 HB2 GLN 49 HB2 GLN 49 3.893 16.352 -14.269 920 HB3 GLN 49 HB1 GLN 49 5.157 17.568 -14.148 921 HG2 GLN 49 HG2 GLN 49 4.999 17.829 -16.641 922 HG3 GLN 49 HG1 GLN 49 3.567 16.807 -16.577 923 HE21 GLN 49 HE21 GLN 49 4.452 19.130 -14.122 924 HE22 GLN 49 HE22 GLN 49 3.137 20.218 -14.416 925 H VAL 50 HN VAL 50 7.802 16.238 -13.728 926 HA VAL 50 HA VAL 50 7.191 14.191 -11.698 927 HB VAL 50 HB VAL 50 9.047 13.472 -13.181 928 HG11 VAL 50 HG11 VAL 50 11.169 14.627 -13.195 929 HG12 VAL 50 HG12 VAL 50 10.481 15.901 -12.184 930 HG13 VAL 50 HG13 VAL 50 9.867 15.646 -13.818 931 HG21 VAL 50 HG21 VAL 50 9.937 14.159 -10.382 932 HG22 VAL 50 HG22 VAL 50 10.679 12.946 -11.427 933 HG23 VAL 50 HG23 VAL 50 9.024 12.727 -10.856 934 H CYS 51 HN CYS 51 7.457 14.836 -9.589 935 HA CYS 51 HA CYS 51 7.950 17.688 -9.199 936 HB2 CYS 51 HB2 CYS 51 7.013 15.636 -7.222 937 HB3 CYS 51 HB1 CYS 51 7.016 17.380 -7.013 938 H ALA 52 HN ALA 52 9.390 18.483 -7.679 939 HA ALA 52 HA ALA 52 10.997 16.730 -6.110 940 HB1 ALA 52 HB1 ALA 52 12.120 16.532 -8.291 941 HB2 ALA 52 HB2 ALA 52 13.144 17.289 -7.072 942 HB3 ALA 52 HB3 ALA 52 12.365 18.279 -8.308 943 H ASN 53 HN ASN 53 12.073 17.779 -4.506 944 HA ASN 53 HA ASN 53 11.146 20.417 -3.890 945 HB2 ASN 53 HB2 ASN 53 13.143 18.637 -2.465 946 HB3 ASN 53 HB1 ASN 53 12.500 20.144 -1.824 947 HD21 ASN 53 HD21 ASN 53 9.792 19.659 -2.827 948 HD22 ASN 53 HD22 ASN 53 9.129 18.429 -1.813 949 HA PRO 54 HA PRO 54 14.465 22.486 -6.032 950 HB2 PRO 54 HB2 PRO 54 14.118 24.950 -4.910 951 HB3 PRO 54 HB1 PRO 54 13.087 24.313 -6.197 952 HG2 PRO 54 HG2 PRO 54 12.617 24.352 -3.240 953 HG3 PRO 54 HG1 PRO 54 11.492 24.753 -4.552 954 HD2 PRO 54 HD2 PRO 54 11.403 22.382 -3.309 955 HD3 PRO 54 HD1 PRO 54 11.095 22.523 -5.054 956 H GLU 55 HN GLU 55 14.345 21.835 -2.748 957 HA GLU 55 HA GLU 55 16.673 23.315 -1.973 958 HB2 GLU 55 HB2 GLU 55 15.267 21.056 -0.542 959 HB3 GLU 55 HB1 GLU 55 16.423 22.178 0.165 960 HG2 GLU 55 HG2 GLU 55 14.907 24.016 -0.141 961 HG3 GLU 55 HG1 GLU 55 13.775 22.985 -1.013 962 H LYS 56 HN LYS 56 16.246 20.624 -3.828 963 HA LYS 56 HA LYS 56 18.609 19.193 -2.927 964 HB2 LYS 56 HB2 LYS 56 16.730 18.706 -5.243 965 HB3 LYS 56 HB1 LYS 56 18.084 17.667 -4.835 966 HG2 LYS 56 HG2 LYS 56 15.673 18.212 -3.108 967 HG3 LYS 56 HG1 LYS 56 15.988 16.741 -4.029 968 HD2 LYS 56 HD2 LYS 56 17.678 17.801 -1.760 969 HD3 LYS 56 HD1 LYS 56 16.539 16.460 -1.655 970 HE2 LYS 56 HE2 LYS 56 17.846 15.171 -3.228 971 HE3 LYS 56 HE1 LYS 56 18.941 16.527 -3.478 972 HZ1 LYS 56 HZ1 LYS 56 19.595 16.365 -1.152 973 HZ2 LYS 56 HZ2 LYS 56 19.895 14.924 -1.977 974 HZ3 LYS 56 HZ3 LYS 56 18.569 15.040 -0.943 975 H LYS 57 HN LYS 57 20.558 19.225 -3.935 976 HA LYS 57 HA LYS 57 21.241 21.527 -5.371 977 HB2 LYS 57 HB2 LYS 57 22.826 20.200 -3.983 978 HB3 LYS 57 HB1 LYS 57 22.825 18.958 -5.227 979 HG2 LYS 57 HG2 LYS 57 24.795 20.357 -5.423 980 HG3 LYS 57 HG1 LYS 57 23.750 20.569 -6.830 981 HD2 LYS 57 HD2 LYS 57 22.828 22.619 -5.794 982 HD3 LYS 57 HD1 LYS 57 23.947 22.412 -4.447 983 HE2 LYS 57 HE2 LYS 57 25.832 22.607 -5.999 984 HE3 LYS 57 HE1 LYS 57 24.703 22.821 -7.337 985 HZ1 LYS 57 HZ1 LYS 57 23.869 24.827 -6.198 986 HZ2 LYS 57 HZ2 LYS 57 25.497 24.946 -6.622 987 HZ3 LYS 57 HZ3 LYS 57 25.066 24.639 -5.018 988 H TRP 58 HN TRP 58 20.522 18.257 -6.471 989 HA TRP 58 HA TRP 58 21.358 18.566 -9.139 990 HB2 TRP 58 HB2 TRP 58 19.133 16.813 -8.069 991 HB3 TRP 58 HB1 TRP 58 19.916 16.641 -9.635 992 HD1 TRP 58 HD1 TRP 58 20.138 15.472 -6.140 993 HE1 TRP 58 HE1 TRP 58 22.304 14.131 -5.771 994 HE3 TRP 58 HE3 TRP 58 22.587 16.683 -10.460 995 HZ2 TRP 58 HZ2 TRP 58 24.724 13.646 -7.131 996 HZ3 TRP 58 HZ3 TRP 58 24.825 15.737 -10.850 997 HH2 TRP 58 HH2 TRP 58 25.870 14.250 -9.220 998 H VAL 59 HN VAL 59 18.376 19.281 -7.478 999 HA VAL 59 HA VAL 59 16.829 19.844 -9.777 1000 HB VAL 59 HB VAL 59 16.503 20.792 -6.918 1001 HG11 VAL 59 HG11 VAL 59 14.584 20.912 -9.237 1002 HG12 VAL 59 HG12 VAL 59 15.307 22.283 -8.396 1003 HG13 VAL 59 HG13 VAL 59 14.158 21.237 -7.560 1004 HG21 VAL 59 HG21 VAL 59 15.135 18.564 -8.419 1005 HG22 VAL 59 HG22 VAL 59 14.854 19.019 -6.738 1006 HG23 VAL 59 HG23 VAL 59 16.413 18.354 -7.226 1007 H GLN 60 HN GLN 60 18.846 21.747 -7.641 1008 HA GLN 60 HA GLN 60 18.242 24.266 -8.760 1009 HB2 GLN 60 HB2 GLN 60 20.658 23.310 -7.227 1010 HB3 GLN 60 HB1 GLN 60 20.342 24.992 -7.633 1011 HG2 GLN 60 HG2 GLN 60 18.492 23.276 -6.010 1012 HG3 GLN 60 HG1 GLN 60 19.711 24.336 -5.316 1013 HE21 GLN 60 HE21 GLN 60 16.691 24.152 -6.991 1014 HE22 GLN 60 HE22 GLN 60 16.225 25.798 -6.764 1015 H GLU 61 HN GLU 61 20.730 21.848 -9.389 1016 HA GLU 61 HA GLU 61 22.135 23.362 -11.288 1017 HB2 GLU 61 HB2 GLU 61 21.859 20.380 -10.956 1018 HB3 GLU 61 HB1 GLU 61 22.995 21.153 -12.054 1019 HG2 GLU 61 HG2 GLU 61 22.940 21.633 -9.095 1020 HG3 GLU 61 HG1 GLU 61 23.952 20.426 -9.876 1021 H TYR 62 HN TYR 62 19.509 21.020 -11.587 1022 HA TYR 62 HA TYR 62 19.413 21.140 -14.415 1023 HB2 TYR 62 HB2 TYR 62 17.527 20.144 -12.315 1024 HB3 TYR 62 HB1 TYR 62 16.956 20.313 -13.973 1025 HD1 TYR 62 HD1 TYR 62 19.621 18.707 -11.925 1026 HD2 TYR 62 HD2 TYR 62 17.415 18.656 -15.556 1027 HE1 TYR 62 HE1 TYR 62 20.631 16.539 -12.499 1028 HE2 TYR 62 HE2 TYR 62 18.416 16.491 -16.139 1029 HH TYR 62 HH TYR 62 19.967 14.531 -13.993 1030 H ILE 63 HN ILE 63 17.769 22.931 -11.891 1031 HA ILE 63 HA ILE 63 16.075 24.461 -13.542 1032 HB ILE 63 HB ILE 63 17.288 24.946 -10.830 1033 HG12 ILE 63 HG12 ILE 63 14.425 24.596 -11.745 1034 HG13 ILE 63 HG11 ILE 63 15.432 23.338 -11.037 1035 HG21 ILE 63 HG21 ILE 63 17.185 27.131 -11.857 1036 HG22 ILE 63 HG22 ILE 63 15.953 26.990 -10.600 1037 HG23 ILE 63 HG23 ILE 63 15.497 26.873 -12.301 1038 HD11 ILE 63 HD11 ILE 63 13.909 24.224 -9.396 1039 HD12 ILE 63 HD12 ILE 63 14.505 25.859 -9.680 1040 HD13 ILE 63 HD13 ILE 63 15.566 24.645 -8.964 1041 H ASN 64 HN ASN 64 19.327 25.059 -12.327 1042 HA ASN 64 HA ASN 64 19.679 27.576 -13.494 1043 HB2 ASN 64 HB2 ASN 64 21.362 27.443 -12.030 1044 HB3 ASN 64 HB1 ASN 64 21.211 25.699 -11.936 1045 HD21 ASN 64 HD21 ASN 64 22.501 24.428 -13.165 1046 HD22 ASN 64 HD22 ASN 64 23.920 25.013 -13.962 1047 H TYR 65 HN TYR 65 20.269 24.329 -14.669 1048 HA TYR 65 HA TYR 65 21.629 25.231 -17.026 1049 HB2 TYR 65 HB2 TYR 65 20.590 22.561 -16.148 1050 HB3 TYR 65 HB1 TYR 65 21.132 22.810 -17.801 1051 HD1 TYR 65 HD1 TYR 65 22.123 21.876 -14.557 1052 HD2 TYR 65 HD2 TYR 65 23.541 23.854 -18.041 1053 HE1 TYR 65 HE1 TYR 65 24.428 21.447 -13.850 1054 HE2 TYR 65 HE2 TYR 65 25.861 23.430 -17.339 1055 HH TYR 65 HH TYR 65 26.607 21.291 -14.737 1056 H LEU 66 HN LEU 66 18.311 24.310 -16.254 1057 HA LEU 66 HA LEU 66 17.482 24.436 -18.995 1058 HB2 LEU 66 HB2 LEU 66 15.889 24.350 -16.440 1059 HB3 LEU 66 HB1 LEU 66 15.163 24.361 -18.034 1060 HG LEU 66 HG LEU 66 16.997 22.233 -16.949 1061 HD11 LEU 66 HD11 LEU 66 14.819 22.270 -15.852 1062 HD12 LEU 66 HD12 LEU 66 14.993 20.853 -16.883 1063 HD13 LEU 66 HD13 LEU 66 14.021 22.221 -17.423 1064 HD21 LEU 66 HD21 LEU 66 17.212 22.459 -19.361 1065 HD22 LEU 66 HD22 LEU 66 15.458 22.405 -19.540 1066 HD23 LEU 66 HD23 LEU 66 16.330 20.985 -18.962 1067 H GLU 67 HN GLU 67 17.622 26.732 -16.356 1068 HA GLU 67 HA GLU 67 15.948 28.669 -17.597 1069 HB2 GLU 67 HB2 GLU 67 16.727 30.221 -15.917 1070 HB3 GLU 67 HB1 GLU 67 16.477 28.653 -15.157 1071 HG2 GLU 67 HG2 GLU 67 18.744 28.244 -14.965 1072 HG3 GLU 67 HG1 GLU 67 19.164 29.493 -16.129 1073 H MET 68 HN MET 68 19.337 27.873 -17.844 1074 HA MET 68 HA MET 68 19.864 30.251 -19.446 1075 HB2 MET 68 HB2 MET 68 22.203 29.559 -19.448 1076 HB3 MET 68 HB1 MET 68 21.576 29.578 -17.809 1077 HG2 MET 68 HG2 MET 68 21.409 27.176 -17.789 1078 HG3 MET 68 HG1 MET 68 21.858 27.098 -19.493 1079 HE1 MET 68 HE1 MET 68 24.213 29.209 -19.719 1080 HE2 MET 68 HE2 MET 68 24.278 27.592 -20.418 1081 HE3 MET 68 HE3 MET 68 25.611 28.176 -19.423 1082 H SER 69 HN SER 69 19.517 26.785 -19.791 1083 HA SER 69 HA SER 69 19.375 25.399 -21.559 1084 HB2 SER 69 HB2 SER 69 17.424 26.819 -22.057 1085 HB3 SER 69 HB1 SER 69 18.453 27.889 -23.008 1086 HG SER 69 HG SER 69 17.169 25.970 -23.993 Start of MODEL 5 1 H1 MET 1 HT1 MET 1 -1.187 1.132 -11.461 2 HA MET 1 HA MET 1 0.791 -0.681 -10.228 3 HB2 MET 1 HB2 MET 1 -0.110 -0.316 -13.089 4 HB3 MET 1 HB1 MET 1 1.282 -1.271 -12.603 5 HG2 MET 1 HG2 MET 1 -0.201 -2.739 -11.317 6 HG3 MET 1 HG1 MET 1 -1.587 -1.794 -11.864 7 HE1 MET 1 HE1 MET 1 -1.346 -4.959 -12.225 8 HE2 MET 1 HE2 MET 1 -1.934 -5.151 -13.876 9 HE3 MET 1 HE3 MET 1 -2.734 -4.025 -12.779 10 H SER 2 HN SER 2 0.144 2.434 -11.488 11 HA SER 2 HA SER 2 2.982 2.893 -12.053 12 HB2 SER 2 HB2 SER 2 0.626 4.667 -12.730 13 HB3 SER 2 HB1 SER 2 2.283 4.828 -13.316 14 HG SER 2 HG SER 2 1.851 2.538 -14.100 15 HA PRO 3 HA PRO 3 2.655 5.192 -8.174 16 HB2 PRO 3 HB2 PRO 3 5.049 4.536 -7.189 17 HB3 PRO 3 HB1 PRO 3 3.704 3.390 -7.169 18 HG2 PRO 3 HG2 PRO 3 6.105 3.454 -8.916 19 HG3 PRO 3 HG1 PRO 3 5.159 2.067 -8.354 20 HD2 PRO 3 HD2 PRO 3 4.978 3.359 -10.880 21 HD3 PRO 3 HD1 PRO 3 3.905 2.099 -10.243 22 H TYR 4 HN TYR 4 3.330 7.230 -7.750 23 HA TYR 4 HA TYR 4 5.331 8.366 -9.550 24 HB2 TYR 4 HB2 TYR 4 3.096 9.624 -7.966 25 HB3 TYR 4 HB1 TYR 4 4.351 10.573 -8.758 26 HD1 TYR 4 HD1 TYR 4 1.194 8.953 -9.177 27 HD2 TYR 4 HD2 TYR 4 4.662 10.229 -11.280 28 HE1 TYR 4 HE1 TYR 4 -0.061 8.870 -11.295 29 HE2 TYR 4 HE2 TYR 4 3.421 10.153 -13.395 30 HH TYR 4 HH TYR 4 0.063 9.901 -13.551 31 H GLY 5 HN GLY 5 6.492 10.359 -8.438 32 HA2 GLY 5 HA2 GLY 5 7.492 9.353 -5.848 33 HA3 GLY 5 HA1 GLY 5 8.542 10.041 -7.079 34 H SER 6 HN SER 6 8.126 12.298 -7.670 35 HA SER 6 HA SER 6 6.956 13.844 -5.479 36 HB2 SER 6 HB2 SER 6 9.589 14.473 -6.842 37 HB3 SER 6 HB1 SER 6 8.834 15.402 -5.547 38 HG SER 6 HG SER 6 10.526 13.909 -4.874 39 H ASP 7 HN ASP 7 5.138 14.253 -6.764 40 HA ASP 7 HA ASP 7 5.525 16.355 -8.675 41 HB2 ASP 7 HB2 ASP 7 4.058 15.161 -10.404 42 HB3 ASP 7 HB1 ASP 7 5.737 14.663 -10.273 43 H THR 8 HN THR 8 3.103 16.554 -9.800 44 HA THR 8 HA THR 8 1.718 18.032 -7.981 45 HB THR 8 HB THR 8 -0.258 17.676 -9.629 46 HG1 THR 8 HG1 THR 8 0.863 15.710 -10.478 47 HG21 THR 8 HG21 THR 8 2.388 18.834 -10.520 48 HG22 THR 8 HG22 THR 8 1.164 19.667 -9.562 49 HG23 THR 8 HG23 THR 8 0.817 19.205 -11.229 50 H THR 9 HN THR 9 0.745 17.518 -6.212 51 HA THR 9 HA THR 9 -0.656 14.963 -5.988 52 HB THR 9 HB THR 9 0.125 16.911 -3.798 53 HG1 THR 9 HG1 THR 9 1.781 15.563 -5.208 54 HG21 THR 9 HG21 THR 9 -1.707 15.372 -3.210 55 HG22 THR 9 HG22 THR 9 -0.239 14.997 -2.308 56 HG23 THR 9 HG23 THR 9 -0.704 14.001 -3.687 57 HA PRO 10 HA PRO 10 -4.427 17.368 -6.265 58 HB2 PRO 10 HB2 PRO 10 -6.149 15.347 -5.682 59 HB3 PRO 10 HB1 PRO 10 -5.398 15.543 -7.271 60 HG2 PRO 10 HG2 PRO 10 -4.690 13.686 -5.045 61 HG3 PRO 10 HG1 PRO 10 -4.664 13.403 -6.794 62 HD2 PRO 10 HD2 PRO 10 -2.432 13.932 -5.298 63 HD3 PRO 10 HD1 PRO 10 -2.573 14.305 -7.027 64 H CYS 11 HN CYS 11 -4.725 18.757 -4.636 65 HA CYS 11 HA CYS 11 -5.759 17.691 -2.111 66 HB2 CYS 11 HB2 CYS 11 -3.299 18.348 -1.929 67 HB3 CYS 11 HB1 CYS 11 -3.808 20.003 -2.246 68 H CYS 12 HN CYS 12 -6.726 19.680 -0.826 69 HA CYS 12 HA CYS 12 -7.517 21.970 -2.236 70 HB2 CYS 12 HB2 CYS 12 -9.903 21.457 -2.616 71 HB3 CYS 12 HB1 CYS 12 -8.835 20.470 -3.607 72 H PHE 13 HN PHE 13 -8.782 23.365 -1.054 73 HA PHE 13 HA PHE 13 -10.004 22.567 1.439 74 HB2 PHE 13 HB2 PHE 13 -7.778 23.001 2.254 75 HB3 PHE 13 HB1 PHE 13 -7.665 24.507 1.348 76 HD1 PHE 13 HD1 PHE 13 -9.670 22.869 4.025 77 HD2 PHE 13 HD2 PHE 13 -8.097 26.497 2.468 78 HE1 PHE 13 HE1 PHE 13 -10.470 24.065 6.017 79 HE2 PHE 13 HE2 PHE 13 -8.898 27.700 4.457 80 HZ PHE 13 HZ PHE 13 -10.084 26.483 6.236 81 H ALA 14 HN ALA 14 -11.820 23.124 0.140 82 HA ALA 14 HA ALA 14 -12.423 25.947 0.254 83 HB1 ALA 14 HB1 ALA 14 -11.429 25.721 -1.957 84 HB2 ALA 14 HB2 ALA 14 -13.164 26.012 -2.093 85 HB3 ALA 14 HB3 ALA 14 -12.521 24.387 -2.326 86 H TYR 15 HN TYR 15 -14.778 26.043 -0.939 87 HA TYR 15 HA TYR 15 -16.395 23.765 -0.280 88 HB2 TYR 15 HB2 TYR 15 -17.774 24.920 1.373 89 HB3 TYR 15 HB1 TYR 15 -16.110 24.813 1.936 90 HD1 TYR 15 HD1 TYR 15 -18.830 27.028 1.026 91 HD2 TYR 15 HD2 TYR 15 -14.661 26.854 1.870 92 HE1 TYR 15 HE1 TYR 15 -18.801 29.464 1.361 93 HE2 TYR 15 HE2 TYR 15 -14.623 29.289 2.208 94 HH TYR 15 HH TYR 15 -16.062 31.278 1.366 95 H LEU 16 HN LEU 16 -18.709 24.268 -0.722 96 HA LEU 16 HA LEU 16 -19.156 26.590 -2.393 97 HB2 LEU 16 HB2 LEU 16 -18.568 24.100 -3.517 98 HB3 LEU 16 HB1 LEU 16 -20.313 24.233 -3.613 99 HG LEU 16 HG LEU 16 -18.435 26.344 -4.657 100 HD11 LEU 16 HD11 LEU 16 -18.082 24.215 -5.840 101 HD12 LEU 16 HD12 LEU 16 -18.819 25.431 -6.875 102 HD13 LEU 16 HD13 LEU 16 -19.809 24.137 -6.194 103 HD21 LEU 16 HD21 LEU 16 -20.403 27.094 -5.900 104 HD22 LEU 16 HD22 LEU 16 -20.689 27.126 -4.160 105 HD23 LEU 16 HD23 LEU 16 -21.367 25.827 -5.142 106 H SER 17 HN SER 17 -21.008 27.449 -1.903 107 HA SER 17 HA SER 17 -22.731 26.183 -0.004 108 HB2 SER 17 HB2 SER 17 -22.952 28.799 -1.496 109 HB3 SER 17 HB1 SER 17 -24.039 28.297 -0.197 110 HG SER 17 HG SER 17 -21.324 29.025 -0.094 111 H LEU 18 HN LEU 18 -22.636 26.534 -3.415 112 HA LEU 18 HA LEU 18 -25.382 25.569 -3.662 113 HB2 LEU 18 HB2 LEU 18 -23.516 26.525 -5.834 114 HB3 LEU 18 HB1 LEU 18 -25.222 26.165 -6.006 115 HG LEU 18 HG LEU 18 -24.049 28.438 -4.404 116 HD11 LEU 18 HD11 LEU 18 -25.066 29.860 -6.107 117 HD12 LEU 18 HD12 LEU 18 -25.565 28.426 -7.006 118 HD13 LEU 18 HD13 LEU 18 -23.850 28.784 -6.793 119 HD21 LEU 18 HD21 LEU 18 -26.923 27.682 -4.926 120 HD22 LEU 18 HD22 LEU 18 -26.383 29.177 -4.164 121 HD23 LEU 18 HD23 LEU 18 -26.086 27.629 -3.374 122 H ALA 19 HN ALA 19 -24.706 23.494 -2.840 123 HA ALA 19 HA ALA 19 -22.825 21.910 -4.286 124 HB1 ALA 19 HB1 ALA 19 -23.276 21.528 -1.907 125 HB2 ALA 19 HB2 ALA 19 -23.575 20.077 -2.864 126 HB3 ALA 19 HB3 ALA 19 -24.929 21.055 -2.298 127 H LEU 20 HN LEU 20 -23.133 20.744 -6.038 128 HA LEU 20 HA LEU 20 -25.473 20.888 -7.545 129 HB2 LEU 20 HB2 LEU 20 -24.402 19.070 -8.933 130 HB3 LEU 20 HB1 LEU 20 -23.465 20.532 -8.720 131 HG LEU 20 HG LEU 20 -22.333 19.170 -6.777 132 HD11 LEU 20 HD11 LEU 20 -23.815 17.249 -6.878 133 HD12 LEU 20 HD12 LEU 20 -22.157 16.788 -7.264 134 HD13 LEU 20 HD13 LEU 20 -23.347 16.960 -8.554 135 HD21 LEU 20 HD21 LEU 20 -21.775 18.662 -9.694 136 HD22 LEU 20 HD22 LEU 20 -20.649 18.375 -8.367 137 HD23 LEU 20 HD23 LEU 20 -21.180 20.017 -8.735 138 HA PRO 21 HA PRO 21 -28.274 18.005 -5.830 139 HB2 PRO 21 HB2 PRO 21 -29.354 16.999 -8.179 140 HB3 PRO 21 HB1 PRO 21 -29.850 18.500 -7.390 141 HG2 PRO 21 HG2 PRO 21 -27.963 18.089 -9.671 142 HG3 PRO 21 HG1 PRO 21 -29.194 19.344 -9.446 143 HD2 PRO 21 HD2 PRO 21 -26.619 19.865 -9.040 144 HD3 PRO 21 HD1 PRO 21 -27.865 20.555 -7.977 145 H ARG 22 HN ARG 22 -28.747 15.787 -5.580 146 HA ARG 22 HA ARG 22 -26.533 14.074 -5.666 147 HB2 ARG 22 HB2 ARG 22 -29.462 13.474 -5.279 148 HB3 ARG 22 HB1 ARG 22 -28.198 12.268 -5.107 149 HG2 ARG 22 HG2 ARG 22 -27.203 13.580 -3.285 150 HG3 ARG 22 HG1 ARG 22 -28.486 14.775 -3.462 151 HD2 ARG 22 HD2 ARG 22 -28.916 11.866 -2.815 152 HD3 ARG 22 HD1 ARG 22 -28.883 13.167 -1.627 153 HE ARG 22 HE ARG 22 -30.788 14.009 -3.320 154 HH11 ARG 22 HH11 ARG 22 -30.284 10.881 -1.814 155 HH12 ARG 22 HH12 ARG 22 -31.965 10.520 -1.683 156 HH21 ARG 22 HH21 ARG 22 -33.027 13.527 -3.154 157 HH22 ARG 22 HH22 ARG 22 -33.538 12.036 -2.444 158 H ALA 23 HN ALA 23 -29.149 14.561 -7.910 159 HA ALA 23 HA ALA 23 -28.772 12.215 -9.446 160 HB1 ALA 23 HB1 ALA 23 -30.132 13.320 -11.137 161 HB2 ALA 23 HB2 ALA 23 -29.937 14.862 -10.303 162 HB3 ALA 23 HB3 ALA 23 -30.825 13.548 -9.531 163 H HIS 24 HN HIS 24 -26.889 15.049 -9.181 164 HA HIS 24 HA HIS 24 -25.682 14.632 -11.804 165 HB2 HIS 24 HB2 HIS 24 -25.732 16.915 -9.887 166 HB3 HIS 24 HB1 HIS 24 -24.406 16.781 -11.030 167 HD1 HIS 24 HD1 HIS 24 -24.807 17.976 -13.150 168 HD2 HIS 24 HD2 HIS 24 -28.363 16.782 -11.368 169 HE1 HIS 24 HE1 HIS 24 -26.628 18.888 -14.618 170 H VAL 25 HN VAL 25 -25.162 13.938 -8.509 171 HA VAL 25 HA VAL 25 -22.286 13.705 -8.922 172 HB VAL 25 HB VAL 25 -23.315 14.740 -6.783 173 HG11 VAL 25 HG11 VAL 25 -24.935 12.980 -6.306 174 HG12 VAL 25 HG12 VAL 25 -23.797 13.188 -4.969 175 HG13 VAL 25 HG13 VAL 25 -23.613 11.834 -6.077 176 HG21 VAL 25 HG21 VAL 25 -21.485 13.881 -5.394 177 HG22 VAL 25 HG22 VAL 25 -20.949 14.277 -7.027 178 HG23 VAL 25 HG23 VAL 25 -21.209 12.594 -6.567 179 H LYS 26 HN LYS 26 -21.186 11.783 -8.720 180 HA LYS 26 HA LYS 26 -22.831 9.404 -9.180 181 HB2 LYS 26 HB2 LYS 26 -21.180 9.994 -10.927 182 HB3 LYS 26 HB1 LYS 26 -19.897 9.898 -9.737 183 HG2 LYS 26 HG2 LYS 26 -20.062 7.564 -9.579 184 HG3 LYS 26 HG1 LYS 26 -21.647 7.539 -10.357 185 HD2 LYS 26 HD2 LYS 26 -20.027 6.769 -11.950 186 HD3 LYS 26 HD1 LYS 26 -20.560 8.373 -12.444 187 HE2 LYS 26 HE2 LYS 26 -18.258 8.482 -12.731 188 HE3 LYS 26 HE1 LYS 26 -18.488 9.211 -11.146 189 HZ1 LYS 26 HZ1 LYS 26 -17.859 7.106 -10.113 190 HZ2 LYS 26 HZ2 LYS 26 -16.648 7.626 -11.175 191 HZ3 LYS 26 HZ3 LYS 26 -17.700 6.392 -11.643 192 H GLU 27 HN GLU 27 -20.100 10.608 -7.292 193 HA GLU 27 HA GLU 27 -20.722 8.888 -5.098 194 HB2 GLU 27 HB2 GLU 27 -18.581 7.648 -5.138 195 HB3 GLU 27 HB1 GLU 27 -19.612 7.256 -6.510 196 HG2 GLU 27 HG2 GLU 27 -18.297 8.903 -7.844 197 HG3 GLU 27 HG1 GLU 27 -17.189 9.009 -6.473 198 H TYR 28 HN TYR 28 -18.719 9.004 -3.521 199 HA TYR 28 HA TYR 28 -17.581 11.704 -3.655 200 HB2 TYR 28 HB2 TYR 28 -17.937 12.057 -1.308 201 HB3 TYR 28 HB1 TYR 28 -19.473 11.549 -1.996 202 HD1 TYR 28 HD1 TYR 28 -17.016 10.943 0.523 203 HD2 TYR 28 HD2 TYR 28 -20.138 9.080 -1.683 204 HE1 TYR 28 HE1 TYR 28 -17.175 9.194 2.239 205 HE2 TYR 28 HE2 TYR 28 -20.304 7.322 0.030 206 HH TYR 28 HH TYR 28 -18.936 7.592 3.064 207 H PHE 29 HN PHE 29 -15.643 11.887 -2.097 208 HA PHE 29 HA PHE 29 -14.210 9.456 -1.584 209 HB2 PHE 29 HB2 PHE 29 -14.082 9.884 -4.138 210 HB3 PHE 29 HB1 PHE 29 -13.044 11.239 -3.724 211 HD1 PHE 29 HD1 PHE 29 -13.348 7.636 -2.780 212 HD2 PHE 29 HD2 PHE 29 -10.806 10.837 -3.964 213 HE1 PHE 29 HE1 PHE 29 -11.421 6.108 -2.755 214 HE2 PHE 29 HE2 PHE 29 -8.875 9.316 -3.937 215 HZ PHE 29 HZ PHE 29 -9.182 6.947 -3.333 216 H TYR 30 HN TYR 30 -11.851 10.110 -0.957 217 HA TYR 30 HA TYR 30 -11.999 12.729 0.360 218 HB2 TYR 30 HB2 TYR 30 -10.864 10.134 1.383 219 HB3 TYR 30 HB1 TYR 30 -10.474 11.691 2.108 220 HD1 TYR 30 HD1 TYR 30 -13.106 9.190 1.586 221 HD2 TYR 30 HD2 TYR 30 -12.129 12.923 3.375 222 HE1 TYR 30 HE1 TYR 30 -15.162 9.081 2.928 223 HE2 TYR 30 HE2 TYR 30 -14.180 12.823 4.722 224 HH TYR 30 HH TYR 30 -16.099 9.973 4.914 225 H THR 31 HN THR 31 -10.120 13.929 0.573 226 HA THR 31 HA THR 31 -8.436 13.893 -1.679 227 HB THR 31 HB THR 31 -7.110 15.631 -0.390 228 HG1 THR 31 HG1 THR 31 -7.642 16.057 1.625 229 HG21 THR 31 HG21 THR 31 -8.863 17.299 -0.570 230 HG22 THR 31 HG22 THR 31 -10.087 16.029 -0.609 231 HG23 THR 31 HG23 THR 31 -8.932 16.183 -1.934 232 H SER 32 HN SER 32 -5.985 14.091 -1.428 233 HA SER 32 HA SER 32 -4.922 11.598 -0.802 234 HB2 SER 32 HB2 SER 32 -3.394 14.200 -0.961 235 HB3 SER 32 HB1 SER 32 -2.790 12.579 -1.307 236 HG SER 32 HG SER 32 -4.220 14.304 -2.889 237 H SER 33 HN SER 33 -3.647 10.862 0.906 238 HA SER 33 HA SER 33 -4.289 11.879 3.474 239 HB2 SER 33 HB2 SER 33 -2.132 9.890 2.749 240 HB3 SER 33 HB1 SER 33 -2.915 10.083 4.319 241 HG SER 33 HG SER 33 -4.927 9.606 3.093 242 H LYS 34 HN LYS 34 -1.805 12.530 1.222 243 HA LYS 34 HA LYS 34 0.186 13.518 2.998 244 HB2 LYS 34 HB2 LYS 34 -0.294 14.285 0.109 245 HB3 LYS 34 HB1 LYS 34 1.187 14.535 1.018 246 HG2 LYS 34 HG2 LYS 34 0.015 11.864 0.259 247 HG3 LYS 34 HG1 LYS 34 1.373 12.661 -0.531 248 HD2 LYS 34 HD2 LYS 34 2.582 12.597 1.655 249 HD3 LYS 34 HD1 LYS 34 1.253 11.635 2.304 250 HE2 LYS 34 HE2 LYS 34 3.051 10.895 -0.008 251 HE3 LYS 34 HE1 LYS 34 3.077 10.187 1.605 252 HZ1 LYS 34 HZ1 LYS 34 0.830 9.342 1.217 253 HZ2 LYS 34 HZ2 LYS 34 1.910 8.769 0.053 254 HZ3 LYS 34 HZ3 LYS 34 0.834 10.002 -0.342 255 H CYS 35 HN CYS 35 -2.754 14.785 1.713 256 HA CYS 35 HA CYS 35 -2.228 17.535 1.793 257 HB2 CYS 35 HB2 CYS 35 -4.830 16.045 2.118 258 HB3 CYS 35 HB1 CYS 35 -4.690 17.780 1.848 259 H SER 36 HN SER 36 -2.333 19.036 3.345 260 HA SER 36 HA SER 36 -2.260 18.283 6.081 261 HB2 SER 36 HB2 SER 36 -2.700 21.059 4.963 262 HB3 SER 36 HB1 SER 36 -1.974 20.623 6.511 263 HG SER 36 HG SER 36 -0.250 19.675 5.353 264 H ASN 37 HN ASN 37 -4.724 19.146 3.864 265 HA ASN 37 HA ASN 37 -6.701 19.280 6.028 266 HB2 ASN 37 HB2 ASN 37 -6.583 21.441 4.961 267 HB3 ASN 37 HB1 ASN 37 -6.677 20.706 3.365 268 HD21 ASN 37 HD21 ASN 37 -8.643 20.052 2.565 269 HD22 ASN 37 HD22 ASN 37 -10.143 20.419 3.343 270 H LEU 38 HN LEU 38 -8.014 17.594 6.043 271 HA LEU 38 HA LEU 38 -8.225 15.901 3.716 272 HB2 LEU 38 HB2 LEU 38 -8.083 14.920 5.973 273 HB3 LEU 38 HB1 LEU 38 -9.589 15.708 6.402 274 HG LEU 38 HG LEU 38 -10.737 14.379 4.641 275 HD11 LEU 38 HD11 LEU 38 -9.567 12.390 3.765 276 HD12 LEU 38 HD12 LEU 38 -8.061 13.012 4.440 277 HD13 LEU 38 HD13 LEU 38 -8.899 13.910 3.172 278 HD21 LEU 38 HD21 LEU 38 -10.721 12.277 5.882 279 HD22 LEU 38 HD22 LEU 38 -10.788 13.672 6.958 280 HD23 LEU 38 HD23 LEU 38 -9.271 12.797 6.741 281 H ALA 39 HN ALA 39 -9.683 16.185 2.211 282 HA ALA 39 HA ALA 39 -12.168 17.571 2.913 283 HB1 ALA 39 HB1 ALA 39 -10.711 19.128 1.734 284 HB2 ALA 39 HB2 ALA 39 -12.112 18.709 0.745 285 HB3 ALA 39 HB3 ALA 39 -10.542 17.977 0.409 286 H VAL 40 HN VAL 40 -13.834 17.241 1.129 287 HA VAL 40 HA VAL 40 -13.705 14.423 0.338 288 HB VAL 40 HB VAL 40 -16.206 16.065 0.701 289 HG11 VAL 40 HG11 VAL 40 -16.471 14.162 -0.764 290 HG12 VAL 40 HG12 VAL 40 -17.318 13.894 0.761 291 HG13 VAL 40 HG13 VAL 40 -15.769 13.102 0.460 292 HG21 VAL 40 HG21 VAL 40 -14.964 15.864 2.822 293 HG22 VAL 40 HG22 VAL 40 -14.971 14.110 2.631 294 HG23 VAL 40 HG23 VAL 40 -16.491 14.981 2.853 295 H VAL 41 HN VAL 41 -13.738 13.978 -1.687 296 HA VAL 41 HA VAL 41 -14.177 16.139 -3.611 297 HB VAL 41 HB VAL 41 -12.662 13.543 -3.963 298 HG11 VAL 41 HG11 VAL 41 -12.931 15.932 -5.774 299 HG12 VAL 41 HG12 VAL 41 -13.632 14.334 -6.035 300 HG13 VAL 41 HG13 VAL 41 -11.880 14.544 -6.054 301 HG21 VAL 41 HG21 VAL 41 -10.650 14.953 -3.978 302 HG22 VAL 41 HG22 VAL 41 -11.501 15.036 -2.435 303 HG23 VAL 41 HG23 VAL 41 -11.643 16.359 -3.593 304 H PHE 42 HN PHE 42 -16.121 16.059 -4.487 305 HA PHE 42 HA PHE 42 -17.507 13.507 -4.692 306 HB2 PHE 42 HB2 PHE 42 -18.433 16.338 -5.165 307 HB3 PHE 42 HB1 PHE 42 -19.443 14.923 -5.432 308 HD1 PHE 42 HD1 PHE 42 -17.885 17.089 -2.966 309 HD2 PHE 42 HD2 PHE 42 -20.227 13.593 -3.561 310 HE1 PHE 42 HE1 PHE 42 -18.520 17.117 -0.593 311 HE2 PHE 42 HE2 PHE 42 -20.873 13.610 -1.192 312 HZ PHE 42 HZ PHE 42 -20.025 15.371 0.298 313 H VAL 43 HN VAL 43 -17.880 12.472 -6.505 314 HA VAL 43 HA VAL 43 -16.672 13.564 -8.945 315 HB VAL 43 HB VAL 43 -17.493 10.720 -8.317 316 HG11 VAL 43 HG11 VAL 43 -15.823 11.801 -10.578 317 HG12 VAL 43 HG12 VAL 43 -17.499 11.262 -10.702 318 HG13 VAL 43 HG13 VAL 43 -16.232 10.109 -10.286 319 HG21 VAL 43 HG21 VAL 43 -15.098 10.257 -8.075 320 HG22 VAL 43 HG22 VAL 43 -15.658 11.422 -6.876 321 HG23 VAL 43 HG23 VAL 43 -14.747 11.972 -8.281 322 H THR 44 HN THR 44 -18.025 14.351 -10.416 323 HA THR 44 HA THR 44 -20.865 14.036 -10.196 324 HB THR 44 HB THR 44 -20.950 15.375 -12.288 325 HG1 THR 44 HG1 THR 44 -18.137 15.585 -12.115 326 HG21 THR 44 HG21 THR 44 -19.017 16.433 -10.224 327 HG22 THR 44 HG22 THR 44 -20.777 16.516 -10.121 328 HG23 THR 44 HG23 THR 44 -19.921 17.406 -11.383 329 H ARG 45 HN ARG 45 -22.132 13.509 -12.309 330 HA ARG 45 HA ARG 45 -21.535 10.820 -13.016 331 HB2 ARG 45 HB2 ARG 45 -23.466 12.706 -14.387 332 HB3 ARG 45 HB1 ARG 45 -23.433 10.960 -14.556 333 HG2 ARG 45 HG2 ARG 45 -24.202 12.552 -12.121 334 HG3 ARG 45 HG1 ARG 45 -25.243 11.547 -13.127 335 HD2 ARG 45 HD2 ARG 45 -23.031 10.650 -11.294 336 HD3 ARG 45 HD1 ARG 45 -24.755 10.355 -11.111 337 HE ARG 45 HE ARG 45 -23.609 9.270 -13.532 338 HH11 ARG 45 HH11 ARG 45 -24.419 8.656 -10.172 339 HH12 ARG 45 HH12 ARG 45 -24.280 6.938 -10.309 340 HH21 ARG 45 HH21 ARG 45 -23.433 7.002 -13.725 341 HH22 ARG 45 HH22 ARG 45 -23.729 5.988 -12.353 342 H ARG 46 HN ARG 46 -20.658 13.857 -14.285 343 HA ARG 46 HA ARG 46 -19.834 12.831 -16.881 344 HB2 ARG 46 HB2 ARG 46 -19.430 15.551 -15.612 345 HB3 ARG 46 HB1 ARG 46 -19.073 15.139 -17.282 346 HG2 ARG 46 HG2 ARG 46 -21.428 14.765 -17.721 347 HG3 ARG 46 HG1 ARG 46 -21.809 15.083 -16.027 348 HD2 ARG 46 HD2 ARG 46 -20.979 17.352 -16.244 349 HD3 ARG 46 HD1 ARG 46 -20.524 17.050 -17.917 350 HE ARG 46 HE ARG 46 -23.041 16.591 -18.183 351 HH11 ARG 46 HH11 ARG 46 -21.675 18.963 -15.980 352 HH12 ARG 46 HH12 ARG 46 -23.012 20.047 -16.092 353 HH21 ARG 46 HH21 ARG 46 -24.838 18.029 -18.341 354 HH22 ARG 46 HH22 ARG 46 -24.829 19.507 -17.440 355 H ASN 47 HN ASN 47 -18.730 12.323 -13.993 356 HA ASN 47 HA ASN 47 -16.814 11.491 -13.184 357 HB2 ASN 47 HB2 ASN 47 -15.828 11.835 -16.005 358 HB3 ASN 47 HB1 ASN 47 -14.971 10.955 -14.739 359 HD21 ASN 47 HD21 ASN 47 -16.324 10.255 -17.358 360 HD22 ASN 47 HD22 ASN 47 -17.300 8.881 -16.961 361 H ARG 48 HN ARG 48 -17.313 14.549 -13.688 362 HA ARG 48 HA ARG 48 -14.544 15.416 -13.282 363 HB2 ARG 48 HB2 ARG 48 -16.018 16.863 -14.688 364 HB3 ARG 48 HB1 ARG 48 -17.046 17.130 -13.280 365 HG2 ARG 48 HG2 ARG 48 -14.857 17.918 -12.134 366 HG3 ARG 48 HG1 ARG 48 -14.252 18.082 -13.779 367 HD2 ARG 48 HD2 ARG 48 -15.901 19.701 -14.309 368 HD3 ARG 48 HD1 ARG 48 -16.797 19.368 -12.823 369 HE ARG 48 HE ARG 48 -14.063 20.318 -12.508 370 HH11 ARG 48 HH11 ARG 48 -17.464 21.140 -12.542 371 HH12 ARG 48 HH12 ARG 48 -17.262 22.582 -11.609 372 HH21 ARG 48 HH21 ARG 48 -13.785 22.242 -11.226 373 HH22 ARG 48 HH22 ARG 48 -15.184 23.203 -10.873 374 H GLN 49 HN GLN 49 -13.795 16.209 -11.349 375 HA GLN 49 HA GLN 49 -15.446 15.400 -9.089 376 HB2 GLN 49 HB2 GLN 49 -12.537 16.120 -9.082 377 HB3 GLN 49 HB1 GLN 49 -13.443 15.288 -7.829 378 HG2 GLN 49 HG2 GLN 49 -13.775 13.396 -9.370 379 HG3 GLN 49 HG1 GLN 49 -12.771 14.226 -10.559 380 HE21 GLN 49 HE21 GLN 49 -11.165 15.319 -8.301 381 HE22 GLN 49 HE22 GLN 49 -10.090 14.026 -7.871 382 H VAL 50 HN VAL 50 -15.225 16.697 -7.129 383 HA VAL 50 HA VAL 50 -14.693 19.527 -7.501 384 HB VAL 50 HB VAL 50 -17.101 19.223 -8.042 385 HG11 VAL 50 HG11 VAL 50 -17.499 17.242 -6.740 386 HG12 VAL 50 HG12 VAL 50 -18.674 18.506 -6.352 387 HG13 VAL 50 HG13 VAL 50 -17.333 18.170 -5.250 388 HG21 VAL 50 HG21 VAL 50 -16.386 21.314 -7.031 389 HG22 VAL 50 HG22 VAL 50 -16.605 20.625 -5.423 390 HG23 VAL 50 HG23 VAL 50 -18.002 20.879 -6.471 391 H CYS 51 HN CYS 51 -14.188 20.553 -5.527 392 HA CYS 51 HA CYS 51 -13.672 18.656 -3.348 393 HB2 CYS 51 HB2 CYS 51 -12.213 21.135 -4.209 394 HB3 CYS 51 HB1 CYS 51 -11.921 20.335 -2.670 395 H ALA 52 HN ALA 52 -14.598 18.951 -1.466 396 HA ALA 52 HA ALA 52 -15.381 21.626 -0.638 397 HB1 ALA 52 HB1 ALA 52 -17.615 20.899 0.018 398 HB2 ALA 52 HB2 ALA 52 -17.303 19.298 -0.655 399 HB3 ALA 52 HB3 ALA 52 -17.375 20.705 -1.718 400 H ASN 53 HN ASN 53 -15.407 21.900 1.554 401 HA ASN 53 HA ASN 53 -13.862 19.987 3.032 402 HB2 ASN 53 HB2 ASN 53 -13.993 22.675 3.129 403 HB3 ASN 53 HB1 ASN 53 -15.120 22.289 4.426 404 HD21 ASN 53 HD21 ASN 53 -11.824 22.182 3.355 405 HD22 ASN 53 HD22 ASN 53 -11.122 21.743 4.871 406 HA PRO 54 HA PRO 54 -17.274 17.642 4.583 407 HB2 PRO 54 HB2 PRO 54 -16.085 16.466 6.700 408 HB3 PRO 54 HB1 PRO 54 -15.700 16.030 5.029 409 HG2 PRO 54 HG2 PRO 54 -14.268 17.930 6.856 410 HG3 PRO 54 HG1 PRO 54 -13.584 16.607 5.883 411 HD2 PRO 54 HD2 PRO 54 -13.472 19.131 5.035 412 HD3 PRO 54 HD1 PRO 54 -13.809 17.806 3.899 413 H GLU 55 HN GLU 55 -16.285 20.415 6.071 414 HA GLU 55 HA GLU 55 -17.662 19.968 8.569 415 HB2 GLU 55 HB2 GLU 55 -16.397 22.461 7.434 416 HB3 GLU 55 HB1 GLU 55 -17.144 22.365 9.020 417 HG2 GLU 55 HG2 GLU 55 -15.504 20.503 9.522 418 HG3 GLU 55 HG1 GLU 55 -14.666 20.987 8.048 419 H LYS 56 HN LYS 56 -18.688 20.578 5.516 420 HA LYS 56 HA LYS 56 -20.885 22.317 6.366 421 HB2 LYS 56 HB2 LYS 56 -20.087 21.414 3.604 422 HB3 LYS 56 HB1 LYS 56 -21.465 22.445 3.957 423 HG2 LYS 56 HG2 LYS 56 -19.795 24.025 5.053 424 HG3 LYS 56 HG1 LYS 56 -18.545 23.060 4.267 425 HD2 LYS 56 HD2 LYS 56 -19.017 24.919 2.853 426 HD3 LYS 56 HD1 LYS 56 -19.714 23.490 2.088 427 HE2 LYS 56 HE2 LYS 56 -21.253 25.368 1.953 428 HE3 LYS 56 HE1 LYS 56 -21.921 24.109 2.987 429 HZ1 LYS 56 HZ1 LYS 56 -21.237 25.378 4.926 430 HZ2 LYS 56 HZ2 LYS 56 -22.218 26.326 3.930 431 HZ3 LYS 56 HZ3 LYS 56 -20.543 26.562 3.941 432 H LYS 57 HN LYS 57 -23.011 21.793 6.183 433 HA LYS 57 HA LYS 57 -23.714 19.172 6.857 434 HB2 LYS 57 HB2 LYS 57 -24.973 21.239 7.472 435 HB3 LYS 57 HB1 LYS 57 -25.527 21.351 5.812 436 HG2 LYS 57 HG2 LYS 57 -27.300 20.411 7.066 437 HG3 LYS 57 HG1 LYS 57 -26.602 19.095 6.125 438 HD2 LYS 57 HD2 LYS 57 -25.516 19.530 8.852 439 HD3 LYS 57 HD1 LYS 57 -27.151 18.883 8.737 440 HE2 LYS 57 HE2 LYS 57 -26.373 17.032 7.409 441 HE3 LYS 57 HE1 LYS 57 -24.749 17.705 7.342 442 HZ1 LYS 57 HZ1 LYS 57 -24.522 17.387 9.697 443 HZ2 LYS 57 HZ2 LYS 57 -24.987 15.920 8.994 444 HZ3 LYS 57 HZ3 LYS 57 -26.118 16.851 9.830 445 H TRP 58 HN TRP 58 -23.881 20.926 3.809 446 HA TRP 58 HA TRP 58 -25.431 19.185 2.276 447 HB2 TRP 58 HB2 TRP 58 -23.059 20.858 1.405 448 HB3 TRP 58 HB1 TRP 58 -24.204 20.101 0.310 449 HD1 TRP 58 HD1 TRP 58 -23.989 22.925 2.909 450 HE1 TRP 58 HE1 TRP 58 -25.840 24.636 2.398 451 HE3 TRP 58 HE3 TRP 58 -26.414 20.405 -0.809 452 HZ2 TRP 58 HZ2 TRP 58 -28.035 24.885 0.645 453 HZ3 TRP 58 HZ3 TRP 58 -28.379 21.449 -1.857 454 HH2 TRP 58 HH2 TRP 58 -29.169 23.644 -1.143 455 H VAL 59 HN VAL 59 -22.007 19.234 2.939 456 HA VAL 59 HA VAL 59 -21.259 17.185 1.154 457 HB VAL 59 HB VAL 59 -19.890 18.098 3.701 458 HG11 VAL 59 HG11 VAL 59 -17.844 17.167 2.710 459 HG12 VAL 59 HG12 VAL 59 -18.793 16.536 1.368 460 HG13 VAL 59 HG13 VAL 59 -19.062 15.925 3.000 461 HG21 VAL 59 HG21 VAL 59 -20.221 19.916 2.108 462 HG22 VAL 59 HG22 VAL 59 -19.455 18.957 0.842 463 HG23 VAL 59 HG23 VAL 59 -18.515 19.490 2.236 464 H GLN 60 HN GLN 60 -22.193 17.235 4.513 465 HA GLN 60 HA GLN 60 -21.614 14.499 5.001 466 HB2 GLN 60 HB2 GLN 60 -23.521 16.287 6.503 467 HB3 GLN 60 HB1 GLN 60 -22.778 14.808 7.095 468 HG2 GLN 60 HG2 GLN 60 -21.329 17.345 6.387 469 HG3 GLN 60 HG1 GLN 60 -21.697 16.793 8.013 470 HE21 GLN 60 HE21 GLN 60 -19.713 16.367 5.225 471 HE22 GLN 60 HE22 GLN 60 -18.550 15.317 5.951 472 H GLU 61 HN GLU 61 -24.498 16.291 4.048 473 HA GLU 61 HA GLU 61 -26.284 14.123 4.224 474 HB2 GLU 61 HB2 GLU 61 -26.346 16.622 2.536 475 HB3 GLU 61 HB1 GLU 61 -27.686 15.487 2.661 476 HG2 GLU 61 HG2 GLU 61 -26.480 16.824 5.053 477 HG3 GLU 61 HG1 GLU 61 -27.778 17.553 4.117 478 H TYR 62 HN TYR 62 -24.352 15.426 1.567 479 HA TYR 62 HA TYR 62 -25.324 13.535 -0.310 480 HB2 TYR 62 HB2 TYR 62 -23.000 15.428 -0.311 481 HB3 TYR 62 HB1 TYR 62 -23.164 14.220 -1.585 482 HD1 TYR 62 HD1 TYR 62 -24.904 17.066 0.041 483 HD2 TYR 62 HD2 TYR 62 -24.662 14.543 -3.367 484 HE1 TYR 62 HE1 TYR 62 -26.505 18.508 -1.131 485 HE2 TYR 62 HE2 TYR 62 -26.259 15.985 -4.549 486 HH TYR 62 HH TYR 62 -27.029 19.034 -3.608 487 H ILE 63 HN ILE 63 -22.574 13.583 1.867 488 HA ILE 63 HA ILE 63 -21.353 11.211 0.967 489 HB ILE 63 HB ILE 63 -21.402 12.589 3.646 490 HG12 ILE 63 HG12 ILE 63 -19.173 12.033 1.679 491 HG13 ILE 63 HG11 ILE 63 -20.038 13.558 1.843 492 HG21 ILE 63 HG21 ILE 63 -19.745 10.981 4.485 493 HG22 ILE 63 HG22 ILE 63 -19.981 10.001 3.036 494 HG23 ILE 63 HG23 ILE 63 -21.312 10.233 4.172 495 HD11 ILE 63 HD11 ILE 63 -17.863 13.614 2.932 496 HD12 ILE 63 HD12 ILE 63 -18.344 12.272 3.971 497 HD13 ILE 63 HD13 ILE 63 -19.174 13.824 4.091 498 H ASN 64 HN ASN 64 -23.821 11.789 3.415 499 HA ASN 64 HA ASN 64 -24.119 9.109 4.206 500 HB2 ASN 64 HB2 ASN 64 -25.261 10.154 5.818 501 HB3 ASN 64 HB1 ASN 64 -25.250 11.643 4.888 502 HD21 ASN 64 HD21 ASN 64 -27.031 12.165 3.656 503 HD22 ASN 64 HD22 ASN 64 -28.575 11.430 3.915 504 H TYR 65 HN TYR 65 -25.663 11.011 1.698 505 HA TYR 65 HA TYR 65 -27.572 8.966 1.048 506 HB2 TYR 65 HB2 TYR 65 -26.767 11.527 -0.286 507 HB3 TYR 65 HB1 TYR 65 -27.824 10.382 -1.096 508 HD1 TYR 65 HD1 TYR 65 -27.935 13.327 0.533 509 HD2 TYR 65 HD2 TYR 65 -29.690 9.464 0.821 510 HE1 TYR 65 HE1 TYR 65 -29.862 14.296 1.703 511 HE2 TYR 65 HE2 TYR 65 -31.625 10.425 1.993 512 HH TYR 65 HH TYR 65 -32.124 12.443 3.368 513 H LEU 66 HN LEU 66 -24.393 9.856 -0.130 514 HA LEU 66 HA LEU 66 -24.569 8.017 -2.337 515 HB2 LEU 66 HB2 LEU 66 -22.295 9.670 -1.272 516 HB3 LEU 66 HB1 LEU 66 -22.131 8.582 -2.638 517 HG LEU 66 HG LEU 66 -24.025 10.917 -2.520 518 HD11 LEU 66 HD11 LEU 66 -21.724 11.675 -2.485 519 HD12 LEU 66 HD12 LEU 66 -22.446 11.988 -4.062 520 HD13 LEU 66 HD13 LEU 66 -21.339 10.632 -3.853 521 HD21 LEU 66 HD21 LEU 66 -24.307 10.523 -4.889 522 HD22 LEU 66 HD22 LEU 66 -24.713 9.059 -4.002 523 HD23 LEU 66 HD23 LEU 66 -23.164 9.184 -4.836 524 H GLU 67 HN GLU 67 -23.373 7.876 0.943 525 HA GLU 67 HA GLU 67 -21.823 5.513 0.509 526 HB2 GLU 67 HB2 GLU 67 -21.554 5.402 2.893 527 HB3 GLU 67 HB1 GLU 67 -21.453 7.093 2.420 528 HG2 GLU 67 HG2 GLU 67 -23.681 7.498 3.190 529 HG3 GLU 67 HG1 GLU 67 -23.912 5.788 3.540 530 H MET 68 HN MET 68 -25.160 6.181 1.219 531 HA MET 68 HA MET 68 -25.726 3.404 1.836 532 HB2 MET 68 HB2 MET 68 -28.056 4.096 2.087 533 HB3 MET 68 HB1 MET 68 -26.993 5.140 3.016 534 HG2 MET 68 HG2 MET 68 -27.210 6.901 1.406 535 HG3 MET 68 HG1 MET 68 -28.086 5.840 0.301 536 HE1 MET 68 HE1 MET 68 -28.179 7.721 3.747 537 HE2 MET 68 HE2 MET 68 -28.537 6.060 4.224 538 HE3 MET 68 HE3 MET 68 -29.784 7.300 4.345 539 H SER 69 HN SER 69 -25.551 5.386 -0.915 540 HA SER 69 HA SER 69 -26.082 5.184 -3.091 541 HB2 SER 69 HB2 SER 69 -25.829 2.255 -2.421 542 HB3 SER 69 HB1 SER 69 -25.774 2.941 -4.046 543 HG SER 69 HG SER 69 -23.808 2.722 -2.227 544 H1 MET 1 HT1 MET 1 -9.941 28.396 -20.532 545 HA MET 1 HA MET 1 -10.676 30.967 -19.292 546 HB2 MET 1 HB2 MET 1 -11.478 29.771 -21.950 547 HB3 MET 1 HB1 MET 1 -12.180 31.219 -21.242 548 HG2 MET 1 HG2 MET 1 -10.047 32.345 -21.362 549 HG3 MET 1 HG1 MET 1 -9.289 30.884 -21.991 550 HE1 MET 1 HE1 MET 1 -9.092 33.769 -23.394 551 HE2 MET 1 HE2 MET 1 -9.255 33.272 -25.077 552 HE3 MET 1 HE3 MET 1 -8.291 32.305 -23.962 553 H SER 2 HN SER 2 -10.889 27.873 -18.733 554 HA SER 2 HA SER 2 -13.790 27.750 -18.413 555 HB2 SER 2 HB2 SER 2 -11.688 25.618 -17.938 556 HB3 SER 2 HB1 SER 2 -13.434 25.384 -17.857 557 HG SER 2 HG SER 2 -12.283 26.445 -20.190 558 HA PRO 3 HA PRO 3 -12.853 29.213 -14.235 559 HB2 PRO 3 HB2 PRO 3 -15.777 29.384 -14.017 560 HB3 PRO 3 HB1 PRO 3 -14.571 30.666 -13.877 561 HG2 PRO 3 HG2 PRO 3 -16.227 30.501 -15.990 562 HG3 PRO 3 HG1 PRO 3 -14.561 31.086 -16.145 563 HD2 PRO 3 HD2 PRO 3 -15.685 28.386 -16.793 564 HD3 PRO 3 HD1 PRO 3 -14.533 29.385 -17.709 565 H TYR 4 HN TYR 4 -12.352 27.685 -12.816 566 HA TYR 4 HA TYR 4 -14.319 25.584 -12.243 567 HB2 TYR 4 HB2 TYR 4 -11.331 25.663 -11.744 568 HB3 TYR 4 HB1 TYR 4 -12.391 24.361 -11.214 569 HD1 TYR 4 HD1 TYR 4 -10.316 25.538 -13.845 570 HD2 TYR 4 HD2 TYR 4 -13.765 23.176 -13.070 571 HE1 TYR 4 HE1 TYR 4 -10.044 24.432 -16.027 572 HE2 TYR 4 HE2 TYR 4 -13.504 22.063 -15.242 573 HH TYR 4 HH TYR 4 -10.678 22.408 -17.160 574 H GLY 5 HN GLY 5 -15.468 25.833 -10.452 575 HA2 GLY 5 HA2 GLY 5 -15.092 27.995 -8.710 576 HA3 GLY 5 HA1 GLY 5 -16.181 26.647 -8.445 577 H SER 6 HN SER 6 -14.934 24.558 -7.800 578 HA SER 6 HA SER 6 -12.587 25.001 -6.225 579 HB2 SER 6 HB2 SER 6 -15.212 24.374 -4.843 580 HB3 SER 6 HB1 SER 6 -13.627 24.349 -4.075 581 HG SER 6 HG SER 6 -13.966 26.684 -5.340 582 H ASP 7 HN ASP 7 -11.765 23.330 -7.497 583 HA ASP 7 HA ASP 7 -12.593 20.723 -6.509 584 HB2 ASP 7 HB2 ASP 7 -12.608 19.644 -8.646 585 HB3 ASP 7 HB1 ASP 7 -13.654 21.049 -8.765 586 H THR 8 HN THR 8 -10.867 19.146 -7.911 587 HA THR 8 HA THR 8 -8.721 18.888 -6.372 588 HB THR 8 HB THR 8 -7.581 18.066 -8.657 589 HG1 THR 8 HG1 THR 8 -9.716 19.100 -9.604 590 HG21 THR 8 HG21 THR 8 -9.894 16.741 -7.232 591 HG22 THR 8 HG22 THR 8 -8.196 16.655 -6.760 592 HG23 THR 8 HG23 THR 8 -8.730 15.924 -8.274 593 H THR 9 HN THR 9 -7.264 20.292 -5.684 594 HA THR 9 HA THR 9 -6.102 22.208 -7.560 595 HB THR 9 HB THR 9 -5.809 22.050 -4.545 596 HG1 THR 9 HG1 THR 9 -7.958 22.660 -5.809 597 HG21 THR 9 HG21 THR 9 -3.986 23.261 -5.666 598 HG22 THR 9 HG22 THR 9 -5.004 24.362 -4.738 599 HG23 THR 9 HG23 THR 9 -5.167 24.278 -6.492 600 HA PRO 10 HA PRO 10 -2.533 19.518 -7.619 601 HB2 PRO 10 HB2 PRO 10 -1.224 21.383 -9.368 602 HB3 PRO 10 HB1 PRO 10 -1.967 19.835 -9.778 603 HG2 PRO 10 HG2 PRO 10 -2.914 22.311 -10.575 604 HG3 PRO 10 HG1 PRO 10 -3.861 20.816 -10.540 605 HD2 PRO 10 HD2 PRO 10 -3.821 23.086 -8.620 606 HD3 PRO 10 HD1 PRO 10 -5.160 22.026 -9.112 607 H CYS 11 HN CYS 11 -1.409 19.653 -5.745 608 HA CYS 11 HA CYS 11 0.330 21.999 -5.428 609 HB2 CYS 11 HB2 CYS 11 -1.698 21.989 -3.862 610 HB3 CYS 11 HB1 CYS 11 -0.966 20.586 -3.093 611 H CYS 12 HN CYS 12 2.190 21.460 -3.882 612 HA CYS 12 HA CYS 12 2.835 18.710 -3.526 613 HB2 CYS 12 HB2 CYS 12 4.785 18.662 -5.064 614 HB3 CYS 12 HB1 CYS 12 3.245 18.777 -5.907 615 H PHE 13 HN PHE 13 4.972 18.390 -2.634 616 HA PHE 13 HA PHE 13 6.650 20.552 -1.821 617 HB2 PHE 13 HB2 PHE 13 4.842 20.900 -0.178 618 HB3 PHE 13 HB1 PHE 13 4.928 19.209 0.298 619 HD1 PHE 13 HD1 PHE 13 6.914 22.348 0.197 620 HD2 PHE 13 HD2 PHE 13 6.345 18.555 2.039 621 HE1 PHE 13 HE1 PHE 13 8.565 22.940 1.921 622 HE2 PHE 13 HE2 PHE 13 7.995 19.140 3.764 623 HZ PHE 13 HZ PHE 13 9.107 21.334 3.705 624 H ALA 14 HN ALA 14 8.063 19.176 -2.938 625 HA ALA 14 HA ALA 14 9.444 17.345 -1.296 626 HB1 ALA 14 HB1 ALA 14 7.583 15.857 -1.881 627 HB2 ALA 14 HB2 ALA 14 9.081 15.312 -2.635 628 HB3 ALA 14 HB3 ALA 14 7.870 16.161 -3.594 629 H TYR 15 HN TYR 15 10.918 15.999 -3.013 630 HA TYR 15 HA TYR 15 11.592 17.597 -5.302 631 HB2 TYR 15 HB2 TYR 15 13.928 17.969 -4.592 632 HB3 TYR 15 HB1 TYR 15 12.780 18.824 -3.572 633 HD1 TYR 15 HD1 TYR 15 15.155 16.010 -3.724 634 HD2 TYR 15 HD2 TYR 15 12.552 18.274 -1.232 635 HE1 TYR 15 HE1 TYR 15 16.185 14.996 -1.740 636 HE2 TYR 15 HE2 TYR 15 13.576 17.262 0.761 637 HH TYR 15 HH TYR 15 14.833 15.306 1.396 638 H LEU 16 HN LEU 16 13.706 16.620 -6.249 639 HA LEU 16 HA LEU 16 13.920 13.781 -5.688 640 HB2 LEU 16 HB2 LEU 16 12.515 14.818 -7.919 641 HB3 LEU 16 HB1 LEU 16 14.028 14.173 -8.524 642 HG LEU 16 HG LEU 16 12.148 12.587 -6.786 643 HD11 LEU 16 HD11 LEU 16 11.012 13.219 -8.867 644 HD12 LEU 16 HD12 LEU 16 11.372 11.496 -8.827 645 HD13 LEU 16 HD13 LEU 16 12.372 12.585 -9.797 646 HD21 LEU 16 HD21 LEU 16 13.402 10.675 -7.649 647 HD22 LEU 16 HD22 LEU 16 14.460 11.810 -6.811 648 HD23 LEU 16 HD23 LEU 16 14.434 11.766 -8.574 649 H SER 17 HN SER 17 15.914 13.102 -5.756 650 HA SER 17 HA SER 17 17.991 15.033 -6.102 651 HB2 SER 17 HB2 SER 17 18.121 12.062 -5.577 652 HB3 SER 17 HB1 SER 17 19.471 13.192 -5.415 653 HG SER 17 HG SER 17 17.176 12.878 -3.822 654 H LEU 18 HN LEU 18 16.649 12.380 -7.891 655 HA LEU 18 HA LEU 18 18.696 12.576 -9.934 656 HB2 LEU 18 HB2 LEU 18 16.248 10.814 -9.809 657 HB3 LEU 18 HB1 LEU 18 17.547 10.695 -10.980 658 HG LEU 18 HG LEU 18 17.771 10.161 -8.020 659 HD11 LEU 18 HD11 LEU 18 18.165 7.855 -8.714 660 HD12 LEU 18 HD12 LEU 18 17.864 8.311 -10.392 661 HD13 LEU 18 HD13 LEU 18 16.569 8.427 -9.198 662 HD21 LEU 18 HD21 LEU 18 19.838 9.987 -10.209 663 HD22 LEU 18 HD22 LEU 18 20.046 9.392 -8.561 664 HD23 LEU 18 HD23 LEU 18 19.826 11.117 -8.854 665 H ALA 19 HN ALA 19 17.958 14.853 -10.159 666 HA ALA 19 HA ALA 19 15.486 15.492 -11.343 667 HB1 ALA 19 HB1 ALA 19 16.893 17.157 -10.222 668 HB2 ALA 19 HB2 ALA 19 16.519 17.644 -11.875 669 HB3 ALA 19 HB3 ALA 19 18.108 16.986 -11.488 670 H LEU 20 HN LEU 20 14.786 15.094 -13.305 671 HA LEU 20 HA LEU 20 16.276 13.776 -15.255 672 HB2 LEU 20 HB2 LEU 20 14.344 14.368 -16.767 673 HB3 LEU 20 HB1 LEU 20 13.940 13.497 -15.304 674 HG LEU 20 HG LEU 20 13.513 15.986 -14.422 675 HD11 LEU 20 HD11 LEU 20 14.141 17.069 -16.495 676 HD12 LEU 20 HD12 LEU 20 12.429 17.321 -16.151 677 HD13 LEU 20 HD13 LEU 20 12.921 16.143 -17.368 678 HD21 LEU 20 HD21 LEU 20 11.584 14.350 -16.058 679 HD22 LEU 20 HD22 LEU 20 11.141 15.632 -14.931 680 HD23 LEU 20 HD23 LEU 20 11.918 14.165 -14.336 681 HA PRO 21 HA PRO 21 18.820 16.908 -16.977 682 HB2 PRO 21 HB2 PRO 21 18.987 15.895 -19.548 683 HB3 PRO 21 HB1 PRO 21 19.973 15.365 -18.182 684 HG2 PRO 21 HG2 PRO 21 17.494 14.144 -19.318 685 HG3 PRO 21 HG1 PRO 21 18.962 13.348 -18.726 686 HD2 PRO 21 HD2 PRO 21 16.742 13.424 -17.252 687 HD3 PRO 21 HD1 PRO 21 18.343 13.589 -16.502 688 H ARG 22 HN ARG 22 18.877 18.593 -18.510 689 HA ARG 22 HA ARG 22 16.478 19.928 -18.929 690 HB2 ARG 22 HB2 ARG 22 19.207 20.259 -20.121 691 HB3 ARG 22 HB1 ARG 22 17.872 21.295 -20.604 692 HG2 ARG 22 HG2 ARG 22 17.628 22.132 -18.389 693 HG3 ARG 22 HG1 ARG 22 18.775 20.950 -17.759 694 HD2 ARG 22 HD2 ARG 22 19.497 22.988 -19.838 695 HD3 ARG 22 HD1 ARG 22 19.651 23.293 -18.110 696 HE ARG 22 HE ARG 22 20.998 20.972 -18.456 697 HH11 ARG 22 HH11 ARG 22 21.151 24.035 -20.166 698 HH12 ARG 22 HH12 ARG 22 22.865 23.988 -20.384 699 HH21 ARG 22 HH21 ARG 22 23.288 20.906 -18.748 700 HH22 ARG 22 HH22 ARG 22 24.084 22.212 -19.559 701 H ALA 23 HN ALA 23 18.236 17.781 -21.050 702 HA ALA 23 HA ALA 23 16.815 18.320 -23.418 703 HB1 ALA 23 HB1 ALA 23 17.666 16.165 -24.204 704 HB2 ALA 23 HB2 ALA 23 18.160 15.761 -22.560 705 HB3 ALA 23 HB3 ALA 23 18.926 17.105 -23.406 706 H HIS 24 HN HIS 24 15.982 16.469 -20.602 707 HA HIS 24 HA HIS 24 13.838 15.066 -21.966 708 HB2 HIS 24 HB2 HIS 24 14.947 14.941 -19.169 709 HB3 HIS 24 HB1 HIS 24 13.480 14.099 -19.640 710 HD1 HIS 24 HD1 HIS 24 14.485 11.753 -19.311 711 HD2 HIS 24 HD2 HIS 24 16.621 14.111 -21.987 712 HE1 HIS 24 HE1 HIS 24 16.104 10.200 -20.424 713 H VAL 25 HN VAL 25 14.320 17.917 -20.126 714 HA VAL 25 HA VAL 25 11.502 18.070 -19.400 715 HB VAL 25 HB VAL 25 13.436 18.784 -17.824 716 HG11 VAL 25 HG11 VAL 25 14.579 20.203 -19.505 717 HG12 VAL 25 HG12 VAL 25 14.225 21.035 -17.989 718 HG13 VAL 25 HG13 VAL 25 13.222 21.330 -19.407 719 HG21 VAL 25 HG21 VAL 25 12.058 20.542 -16.810 720 HG22 VAL 25 HG22 VAL 25 11.094 19.150 -17.304 721 HG23 VAL 25 HG23 VAL 25 11.087 20.619 -18.280 722 H LYS 26 HN LYS 26 10.223 19.931 -20.002 723 HA LYS 26 HA LYS 26 11.099 21.030 -22.583 724 HB2 LYS 26 HB2 LYS 26 9.129 19.498 -22.675 725 HB3 LYS 26 HB1 LYS 26 8.268 20.606 -21.622 726 HG2 LYS 26 HG2 LYS 26 8.379 22.346 -23.290 727 HG3 LYS 26 HG1 LYS 26 9.342 21.309 -24.342 728 HD2 LYS 26 HD2 LYS 26 6.973 21.387 -25.010 729 HD3 LYS 26 HD1 LYS 26 7.486 19.760 -24.562 730 HE2 LYS 26 HE2 LYS 26 6.335 19.837 -22.530 731 HE3 LYS 26 HE1 LYS 26 6.185 21.588 -22.578 732 HZ1 LYS 26 HZ1 LYS 26 4.692 21.296 -24.517 733 HZ2 LYS 26 HZ2 LYS 26 4.082 20.629 -23.096 734 HZ3 LYS 26 HZ3 LYS 26 4.746 19.620 -24.280 735 H GLU 27 HN GLU 27 9.330 21.734 -19.592 736 HA GLU 27 HA GLU 27 10.255 24.461 -19.674 737 HB2 GLU 27 HB2 GLU 27 8.027 25.478 -19.592 738 HB3 GLU 27 HB1 GLU 27 8.254 24.589 -21.093 739 HG2 GLU 27 HG2 GLU 27 6.972 22.723 -20.182 740 HG3 GLU 27 HG1 GLU 27 6.744 23.620 -18.681 741 H TYR 28 HN TYR 28 9.074 25.683 -17.761 742 HA TYR 28 HA TYR 28 8.751 23.875 -15.480 743 HB2 TYR 28 HB2 TYR 28 10.150 25.247 -14.074 744 HB3 TYR 28 HB1 TYR 28 11.075 24.855 -15.516 745 HD1 TYR 28 HD1 TYR 28 9.780 27.484 -13.435 746 HD2 TYR 28 HD2 TYR 28 11.281 26.638 -17.329 747 HE1 TYR 28 HE1 TYR 28 10.208 29.880 -13.787 748 HE2 TYR 28 HE2 TYR 28 11.719 29.035 -17.685 749 HH TYR 28 HH TYR 28 11.770 31.287 -15.245 750 H PHE 29 HN PHE 29 7.736 25.081 -13.586 751 HA PHE 29 HA PHE 29 6.247 27.459 -14.161 752 HB2 PHE 29 HB2 PHE 29 4.986 25.657 -15.434 753 HB3 PHE 29 HB1 PHE 29 4.665 24.883 -13.890 754 HD1 PHE 29 HD1 PHE 29 4.470 28.397 -15.154 755 HD2 PHE 29 HD2 PHE 29 2.485 25.154 -13.243 756 HE1 PHE 29 HE1 PHE 29 2.457 29.786 -14.897 757 HE2 PHE 29 HE2 PHE 29 0.468 26.538 -12.980 758 HZ PHE 29 HZ PHE 29 0.453 28.857 -13.808 759 H TYR 30 HN TYR 30 4.634 27.812 -12.258 760 HA TYR 30 HA TYR 30 5.945 26.800 -9.833 761 HB2 TYR 30 HB2 TYR 30 4.419 29.380 -10.238 762 HB3 TYR 30 HB1 TYR 30 5.150 28.854 -8.726 763 HD1 TYR 30 HD1 TYR 30 5.747 30.306 -12.005 764 HD2 TYR 30 HD2 TYR 30 7.606 28.790 -8.493 765 HE1 TYR 30 HE1 TYR 30 7.858 31.368 -12.672 766 HE2 TYR 30 HE2 TYR 30 9.725 29.853 -9.151 767 HH TYR 30 HH TYR 30 9.908 32.178 -11.602 768 H THR 31 HN THR 31 4.582 26.462 -7.962 769 HA THR 31 HA THR 31 2.351 24.876 -8.574 770 HB THR 31 HB THR 31 1.937 25.087 -6.017 771 HG1 THR 31 HG1 THR 31 3.356 26.206 -4.912 772 HG21 THR 31 HG21 THR 31 3.749 23.498 -5.600 773 HG22 THR 31 HG22 THR 31 4.478 23.937 -7.147 774 HG23 THR 31 HG23 THR 31 2.903 23.147 -7.105 775 H SER 32 HN SER 32 0.211 25.118 -7.461 776 HA SER 32 HA SER 32 -1.173 27.290 -8.527 777 HB2 SER 32 HB2 SER 32 -2.047 25.452 -6.289 778 HB3 SER 32 HB1 SER 32 -3.098 26.389 -7.352 779 HG SER 32 HG SER 32 -1.788 24.000 -7.798 780 H SER 33 HN SER 33 -2.130 29.098 -7.560 781 HA SER 33 HA SER 33 -0.629 30.362 -5.532 782 HB2 SER 33 HB2 SER 33 -3.372 31.102 -6.561 783 HB3 SER 33 HB1 SER 33 -2.240 32.166 -5.723 784 HG SER 33 HG SER 33 -0.881 31.173 -7.709 785 H LYS 34 HN LYS 34 -3.344 28.250 -5.437 786 HA LYS 34 HA LYS 34 -4.150 29.019 -2.770 787 HB2 LYS 34 HB2 LYS 34 -5.029 26.770 -4.579 788 HB3 LYS 34 HB1 LYS 34 -5.665 27.010 -2.959 789 HG2 LYS 34 HG2 LYS 34 -5.853 28.988 -5.221 790 HG3 LYS 34 HG1 LYS 34 -7.148 27.919 -4.676 791 HD2 LYS 34 HD2 LYS 34 -7.077 28.999 -2.463 792 HD3 LYS 34 HD1 LYS 34 -5.810 30.080 -3.044 793 HE2 LYS 34 HE2 LYS 34 -7.350 30.927 -4.759 794 HE3 LYS 34 HE1 LYS 34 -8.618 29.884 -4.115 795 HZ1 LYS 34 HZ1 LYS 34 -8.450 31.069 -2.007 796 HZ2 LYS 34 HZ2 LYS 34 -8.830 32.123 -3.269 797 HZ3 LYS 34 HZ3 LYS 34 -7.256 32.079 -2.649 798 H CYS 35 HN CYS 35 -1.561 27.388 -3.883 799 HA CYS 35 HA CYS 35 -1.536 25.230 -1.990 800 HB2 CYS 35 HB2 CYS 35 0.581 26.361 -3.815 801 HB3 CYS 35 HB1 CYS 35 0.868 25.009 -2.724 802 H SER 36 HN SER 36 -0.340 25.069 -0.139 803 HA SER 36 HA SER 36 0.235 27.567 1.197 804 HB2 SER 36 HB2 SER 36 0.615 24.758 2.235 805 HB3 SER 36 HB1 SER 36 0.442 26.236 3.183 806 HG SER 36 HG SER 36 -1.458 24.648 2.624 807 H ASN 37 HN ASN 37 1.882 25.715 -0.899 808 HA ASN 37 HA ASN 37 4.497 26.501 0.177 809 HB2 ASN 37 HB2 ASN 37 4.294 24.116 0.597 810 HB3 ASN 37 HB1 ASN 37 3.760 23.835 -1.057 811 HD21 ASN 37 HD21 ASN 37 5.329 22.642 -1.916 812 HD22 ASN 37 HD22 ASN 37 7.006 23.086 -1.963 813 H LEU 38 HN LEU 38 5.942 27.205 -1.371 814 HA LEU 38 HA LEU 38 4.871 27.434 -4.084 815 HB2 LEU 38 HB2 LEU 38 5.583 29.539 -3.085 816 HB3 LEU 38 HB1 LEU 38 7.175 28.871 -2.771 817 HG LEU 38 HG LEU 38 7.465 28.597 -5.246 818 HD11 LEU 38 HD11 LEU 38 6.017 29.912 -6.719 819 HD12 LEU 38 HD12 LEU 38 4.955 30.256 -5.354 820 HD13 LEU 38 HD13 LEU 38 5.150 28.598 -5.926 821 HD21 LEU 38 HD21 LEU 38 7.914 30.967 -5.652 822 HD22 LEU 38 HD22 LEU 38 8.493 30.425 -4.077 823 HD23 LEU 38 HD23 LEU 38 7.009 31.374 -4.193 824 H ALA 39 HN ALA 39 5.505 25.968 -5.439 825 HA ALA 39 HA ALA 39 8.234 24.918 -5.236 826 HB1 ALA 39 HB1 ALA 39 6.745 23.251 -4.278 827 HB2 ALA 39 HB2 ALA 39 7.402 22.679 -5.813 828 HB3 ALA 39 HB3 ALA 39 5.747 23.285 -5.730 829 H VAL 40 HN VAL 40 8.750 23.682 -7.335 830 HA VAL 40 HA VAL 40 7.638 25.221 -9.572 831 HB VAL 40 HB VAL 40 10.416 24.055 -9.408 832 HG11 VAL 40 HG11 VAL 40 9.606 24.258 -11.672 833 HG12 VAL 40 HG12 VAL 40 10.872 25.447 -11.357 834 HG13 VAL 40 HG13 VAL 40 9.179 25.946 -11.386 835 HG21 VAL 40 HG21 VAL 40 10.043 25.888 -7.775 836 HG22 VAL 40 HG22 VAL 40 9.606 26.943 -9.121 837 HG23 VAL 40 HG23 VAL 40 11.237 26.278 -9.009 838 H VAL 41 HN VAL 41 6.774 24.125 -11.126 839 HA VAL 41 HA VAL 41 6.903 21.201 -11.043 840 HB VAL 41 HB VAL 41 4.844 22.991 -12.350 841 HG11 VAL 41 HG11 VAL 41 4.888 20.005 -11.947 842 HG12 VAL 41 HG12 VAL 41 5.063 20.855 -13.483 843 HG13 VAL 41 HG13 VAL 41 3.541 20.939 -12.594 844 HG21 VAL 41 HG21 VAL 41 3.347 22.273 -10.545 845 HG22 VAL 41 HG22 VAL 41 4.745 23.147 -9.918 846 HG23 VAL 41 HG23 VAL 41 4.678 21.389 -9.798 847 H PHE 42 HN PHE 42 8.100 20.286 -12.538 848 HA PHE 42 HA PHE 42 8.744 21.803 -14.953 849 HB2 PHE 42 HB2 PHE 42 10.043 19.380 -13.715 850 HB3 PHE 42 HB1 PHE 42 10.521 20.060 -15.265 851 HD1 PHE 42 HD1 PHE 42 10.691 20.369 -11.672 852 HD2 PHE 42 HD2 PHE 42 11.511 22.314 -15.361 853 HE1 PHE 42 HE1 PHE 42 12.175 21.945 -10.506 854 HE2 PHE 42 HE2 PHE 42 12.998 23.891 -14.209 855 HZ PHE 42 HZ PHE 42 13.337 23.711 -11.782 856 H VAL 43 HN VAL 43 8.022 21.245 -16.868 857 HA VAL 43 HA VAL 43 6.436 18.790 -17.053 858 HB VAL 43 HB VAL 43 6.373 21.300 -18.750 859 HG11 VAL 43 HG11 VAL 43 5.988 19.337 -20.150 860 HG12 VAL 43 HG12 VAL 43 4.503 20.266 -19.947 861 HG13 VAL 43 HG13 VAL 43 4.742 18.774 -19.035 862 HG21 VAL 43 HG21 VAL 43 4.100 21.539 -17.865 863 HG22 VAL 43 HG22 VAL 43 5.293 21.520 -16.565 864 HG23 VAL 43 HG23 VAL 43 4.323 20.083 -16.893 865 H THR 44 HN THR 44 7.356 17.162 -17.986 866 HA THR 44 HA THR 44 9.849 17.326 -19.336 867 HB THR 44 HB THR 44 9.539 14.895 -19.745 868 HG1 THR 44 HG1 THR 44 7.127 15.066 -18.303 869 HG21 THR 44 HG21 THR 44 8.769 15.781 -16.967 870 HG22 THR 44 HG22 THR 44 10.418 15.671 -17.588 871 HG23 THR 44 HG23 THR 44 9.442 14.211 -17.403 872 H ARG 45 HN ARG 45 10.147 16.150 -21.499 873 HA ARG 45 HA ARG 45 8.692 17.490 -23.534 874 HB2 ARG 45 HB2 ARG 45 10.411 14.997 -23.766 875 HB3 ARG 45 HB1 ARG 45 9.907 16.017 -25.101 876 HG2 ARG 45 HG2 ARG 45 11.700 16.886 -22.839 877 HG3 ARG 45 HG1 ARG 45 12.246 16.379 -24.437 878 HD2 ARG 45 HD2 ARG 45 10.498 18.751 -23.804 879 HD3 ARG 45 HD1 ARG 45 12.190 18.799 -24.286 880 HE ARG 45 HE ARG 45 10.576 17.446 -26.208 881 HH11 ARG 45 HH11 ARG 45 11.578 20.631 -25.114 882 HH12 ARG 45 HH12 ARG 45 11.217 21.389 -26.624 883 HH21 ARG 45 HH21 ARG 45 10.099 18.459 -28.189 884 HH22 ARG 45 HH22 ARG 45 10.377 20.162 -28.376 885 H ARG 46 HN ARG 46 8.100 14.707 -21.699 886 HA ARG 46 HA ARG 46 6.281 13.440 -23.589 887 HB2 ARG 46 HB2 ARG 46 6.665 12.755 -20.678 888 HB3 ARG 46 HB1 ARG 46 6.062 11.717 -21.959 889 HG2 ARG 46 HG2 ARG 46 8.238 11.536 -22.928 890 HG3 ARG 46 HG1 ARG 46 8.881 12.754 -21.824 891 HD2 ARG 46 HD2 ARG 46 8.253 11.231 -19.932 892 HD3 ARG 46 HD1 ARG 46 7.877 10.000 -21.137 893 HE ARG 46 HE ARG 46 10.369 10.633 -21.809 894 HH11 ARG 46 HH11 ARG 46 8.974 9.940 -18.660 895 HH12 ARG 46 HH12 ARG 46 10.438 9.291 -18.012 896 HH21 ARG 46 HH21 ARG 46 12.305 9.764 -20.958 897 HH22 ARG 46 HH22 ARG 46 12.351 9.193 -19.331 898 H ASN 47 HN ASN 47 6.114 16.115 -21.801 899 HA ASN 47 HA ASN 47 4.424 17.435 -21.083 900 HB2 ASN 47 HB2 ASN 47 2.687 15.289 -22.303 901 HB3 ASN 47 HB1 ASN 47 2.102 16.855 -21.741 902 HD21 ASN 47 HD21 ASN 47 2.504 15.378 -24.429 903 HD22 ASN 47 HD22 ASN 47 3.171 16.604 -25.444 904 H ARG 48 HN ARG 48 5.533 15.082 -19.611 905 HA ARG 48 HA ARG 48 3.406 14.611 -17.650 906 HB2 ARG 48 HB2 ARG 48 5.208 12.878 -18.688 907 HB3 ARG 48 HB1 ARG 48 6.129 13.459 -17.311 908 HG2 ARG 48 HG2 ARG 48 3.611 12.870 -16.285 909 HG3 ARG 48 HG1 ARG 48 3.964 11.563 -17.413 910 HD2 ARG 48 HD2 ARG 48 4.967 10.726 -15.541 911 HD3 ARG 48 HD1 ARG 48 6.315 11.644 -16.215 912 HE ARG 48 HE ARG 48 5.135 13.454 -14.613 913 HH11 ARG 48 HH11 ARG 48 6.208 10.161 -14.050 914 HH12 ARG 48 HH12 ARG 48 6.444 10.377 -12.356 915 HH21 ARG 48 HH21 ARG 48 5.456 13.769 -12.389 916 HH22 ARG 48 HH22 ARG 48 5.988 12.459 -11.383 917 H GLN 49 HN GLN 49 3.521 15.591 -15.642 918 HA GLN 49 HA GLN 49 5.680 17.548 -15.412 919 HB2 GLN 49 HB2 GLN 49 4.150 18.673 -13.766 920 HB3 GLN 49 HB1 GLN 49 3.612 18.645 -15.437 921 HG2 GLN 49 HG2 GLN 49 2.164 16.728 -14.894 922 HG3 GLN 49 HG1 GLN 49 2.637 16.889 -13.200 923 HE21 GLN 49 HE21 GLN 49 2.751 19.801 -13.448 924 HE22 GLN 49 HE22 GLN 49 1.109 20.351 -13.441 925 H VAL 50 HN VAL 50 6.667 18.017 -13.459 926 HA VAL 50 HA VAL 50 6.540 15.978 -11.359 927 HB VAL 50 HB VAL 50 8.421 15.468 -12.953 928 HG11 VAL 50 HG11 VAL 50 8.940 17.706 -13.632 929 HG12 VAL 50 HG12 VAL 50 10.378 16.901 -12.996 930 HG13 VAL 50 HG13 VAL 50 9.519 18.091 -12.012 931 HG21 VAL 50 HG21 VAL 50 10.159 15.186 -11.248 932 HG22 VAL 50 HG22 VAL 50 8.568 14.737 -10.634 933 HG23 VAL 50 HG23 VAL 50 9.283 16.286 -10.183 934 H CYS 51 HN CYS 51 7.312 16.799 -9.273 935 HA CYS 51 HA CYS 51 7.276 19.745 -9.176 936 HB2 CYS 51 HB2 CYS 51 6.179 17.734 -7.228 937 HB3 CYS 51 HB1 CYS 51 6.395 19.433 -6.838 938 H ALA 52 HN ALA 52 8.784 20.800 -8.053 939 HA ALA 52 HA ALA 52 10.412 19.452 -6.091 940 HB1 ALA 52 HB1 ALA 52 12.535 20.000 -7.153 941 HB2 ALA 52 HB2 ALA 52 11.682 20.646 -8.556 942 HB3 ALA 52 HB3 ALA 52 11.587 18.924 -8.180 943 H ASN 53 HN ASN 53 11.139 20.834 -4.585 944 HA ASN 53 HA ASN 53 10.095 23.492 -4.641 945 HB2 ASN 53 HB2 ASN 53 11.663 21.921 -2.612 946 HB3 ASN 53 HB1 ASN 53 11.343 23.638 -2.387 947 HD21 ASN 53 HD21 ASN 53 10.320 21.134 -0.994 948 HD22 ASN 53 HD22 ASN 53 8.613 21.353 -0.982 949 HA PRO 54 HA PRO 54 13.376 25.578 -6.620 950 HB2 PRO 54 HB2 PRO 54 13.005 28.073 -5.602 951 HB3 PRO 54 HB1 PRO 54 11.942 27.349 -6.817 952 HG2 PRO 54 HG2 PRO 54 11.602 27.469 -3.841 953 HG3 PRO 54 HG1 PRO 54 10.418 27.855 -5.108 954 HD2 PRO 54 HD2 PRO 54 10.355 25.507 -3.854 955 HD3 PRO 54 HD1 PRO 54 10.046 25.610 -5.602 956 H GLU 55 HN GLU 55 13.422 25.056 -3.276 957 HA GLU 55 HA GLU 55 15.618 26.731 -2.620 958 HB2 GLU 55 HB2 GLU 55 14.502 24.304 -1.212 959 HB3 GLU 55 HB1 GLU 55 15.803 25.293 -0.568 960 HG2 GLU 55 HG2 GLU 55 14.196 27.256 -0.763 961 HG3 GLU 55 HG1 GLU 55 12.936 26.048 -1.015 962 H LYS 56 HN LYS 56 15.381 23.827 -4.320 963 HA LYS 56 HA LYS 56 18.139 23.056 -3.789 964 HB2 LYS 56 HB2 LYS 56 16.105 21.906 -5.695 965 HB3 LYS 56 HB1 LYS 56 17.710 21.241 -5.419 966 HG2 LYS 56 HG2 LYS 56 17.094 20.910 -3.039 967 HG3 LYS 56 HG1 LYS 56 15.459 21.444 -3.434 968 HD2 LYS 56 HD2 LYS 56 15.411 19.080 -3.478 969 HD3 LYS 56 HD1 LYS 56 15.412 19.604 -5.162 970 HE2 LYS 56 HE2 LYS 56 16.927 17.733 -4.864 971 HE3 LYS 56 HE1 LYS 56 17.836 19.185 -5.270 972 HZ1 LYS 56 HZ1 LYS 56 18.472 19.438 -2.994 973 HZ2 LYS 56 HZ2 LYS 56 18.829 17.857 -3.459 974 HZ3 LYS 56 HZ3 LYS 56 17.470 18.170 -2.504 975 H LYS 57 HN LYS 57 19.846 23.438 -5.110 976 HA LYS 57 HA LYS 57 19.656 25.599 -6.908 977 HB2 LYS 57 HB2 LYS 57 21.709 25.179 -5.685 978 HB3 LYS 57 HB1 LYS 57 21.911 23.639 -6.504 979 HG2 LYS 57 HG2 LYS 57 22.402 24.669 -8.565 980 HG3 LYS 57 HG1 LYS 57 21.845 26.242 -7.996 981 HD2 LYS 57 HD2 LYS 57 24.187 24.787 -6.787 982 HD3 LYS 57 HD1 LYS 57 24.347 25.940 -8.114 983 HE2 LYS 57 HE2 LYS 57 23.332 27.677 -6.736 984 HE3 LYS 57 HE1 LYS 57 23.136 26.531 -5.414 985 HZ1 LYS 57 HZ1 LYS 57 25.073 27.945 -5.130 986 HZ2 LYS 57 HZ2 LYS 57 25.728 27.366 -6.581 987 HZ3 LYS 57 HZ3 LYS 57 25.518 26.318 -5.273 988 H TRP 58 HN TRP 58 19.425 22.169 -7.387 989 HA TRP 58 HA TRP 58 19.941 22.043 -10.137 990 HB2 TRP 58 HB2 TRP 58 17.959 20.440 -8.496 991 HB3 TRP 58 HB1 TRP 58 18.472 20.034 -10.129 992 HD1 TRP 58 HD1 TRP 58 19.404 19.554 -6.550 993 HE1 TRP 58 HE1 TRP 58 21.617 18.254 -6.380 994 HE3 TRP 58 HE3 TRP 58 20.862 19.810 -11.441 995 HZ2 TRP 58 HZ2 TRP 58 23.704 17.445 -8.096 996 HZ3 TRP 58 HZ3 TRP 58 22.983 18.749 -12.093 997 HH2 TRP 58 HH2 TRP 58 24.373 17.594 -10.455 998 H VAL 59 HN VAL 59 17.055 22.799 -8.305 999 HA VAL 59 HA VAL 59 15.284 23.044 -10.495 1000 HB VAL 59 HB VAL 59 15.151 24.417 -7.792 1001 HG11 VAL 59 HG11 VAL 59 12.739 24.556 -8.219 1002 HG12 VAL 59 HG12 VAL 59 12.991 23.877 -9.824 1003 HG13 VAL 59 HG13 VAL 59 13.669 25.453 -9.418 1004 HG21 VAL 59 HG21 VAL 59 15.305 21.990 -7.579 1005 HG22 VAL 59 HG22 VAL 59 13.957 21.797 -8.698 1006 HG23 VAL 59 HG23 VAL 59 13.698 22.560 -7.128 1007 H GLN 60 HN GLN 60 17.441 25.238 -8.834 1008 HA GLN 60 HA GLN 60 16.651 27.632 -10.116 1009 HB2 GLN 60 HB2 GLN 60 19.357 26.905 -8.974 1010 HB3 GLN 60 HB1 GLN 60 18.788 28.530 -9.322 1011 HG2 GLN 60 HG2 GLN 60 17.531 26.683 -7.310 1012 HG3 GLN 60 HG1 GLN 60 18.726 27.916 -6.921 1013 HE21 GLN 60 HE21 GLN 60 15.454 27.280 -7.813 1014 HE22 GLN 60 HE22 GLN 60 14.856 28.877 -7.539 1015 H GLU 61 HN GLU 61 19.079 25.180 -10.806 1016 HA GLU 61 HA GLU 61 20.281 26.398 -13.013 1017 HB2 GLU 61 HB2 GLU 61 19.918 23.502 -12.276 1018 HB3 GLU 61 HB1 GLU 61 20.892 24.048 -13.634 1019 HG2 GLU 61 HG2 GLU 61 21.374 24.996 -10.842 1020 HG3 GLU 61 HG1 GLU 61 22.091 23.517 -11.472 1021 H TYR 62 HN TYR 62 17.616 24.129 -12.738 1022 HA TYR 62 HA TYR 62 17.264 23.987 -15.552 1023 HB2 TYR 62 HB2 TYR 62 15.593 23.054 -13.242 1024 HB3 TYR 62 HB1 TYR 62 14.997 22.950 -14.899 1025 HD1 TYR 62 HD1 TYR 62 17.579 21.755 -12.564 1026 HD2 TYR 62 HD2 TYR 62 15.899 21.357 -16.440 1027 HE1 TYR 62 HE1 TYR 62 18.861 19.687 -12.894 1028 HE2 TYR 62 HE2 TYR 62 17.173 19.287 -16.783 1029 HH TYR 62 HH TYR 62 18.634 17.586 -14.347 1030 H ILE 63 HN ILE 63 15.853 25.971 -13.039 1031 HA ILE 63 HA ILE 63 13.893 27.175 -14.691 1032 HB ILE 63 HB ILE 63 15.279 28.143 -12.188 1033 HG12 ILE 63 HG12 ILE 63 12.428 27.289 -12.735 1034 HG13 ILE 63 HG11 ILE 63 13.659 26.310 -11.944 1035 HG21 ILE 63 HG21 ILE 63 13.686 30.014 -12.108 1036 HG22 ILE 63 HG22 ILE 63 13.086 29.563 -13.704 1037 HG23 ILE 63 HG23 ILE 63 14.749 30.116 -13.512 1038 HD11 ILE 63 HD11 ILE 63 12.098 27.313 -10.359 1039 HD12 ILE 63 HD12 ILE 63 12.580 28.918 -10.904 1040 HD13 ILE 63 HD13 ILE 63 13.749 27.870 -10.099 1041 H ASN 64 HN ASN 64 17.183 28.140 -13.830 1042 HA ASN 64 HA ASN 64 17.183 30.513 -15.354 1043 HB2 ASN 64 HB2 ASN 64 19.114 30.867 -14.265 1044 HB3 ASN 64 HB1 ASN 64 18.928 29.278 -13.538 1045 HD21 ASN 64 HD21 ASN 64 20.125 27.577 -14.322 1046 HD22 ASN 64 HD22 ASN 64 21.497 27.790 -15.350 1047 H TYR 65 HN TYR 65 17.945 27.210 -16.153 1048 HA TYR 65 HA TYR 65 19.039 27.942 -18.713 1049 HB2 TYR 65 HB2 TYR 65 18.548 25.343 -17.336 1050 HB3 TYR 65 HB1 TYR 65 18.836 25.368 -19.071 1051 HD1 TYR 65 HD1 TYR 65 20.420 24.735 -16.136 1052 HD2 TYR 65 HD2 TYR 65 20.912 27.175 -19.585 1053 HE1 TYR 65 HE1 TYR 65 22.841 24.814 -15.730 1054 HE2 TYR 65 HE2 TYR 65 23.335 27.258 -19.187 1055 HH TYR 65 HH TYR 65 24.914 26.982 -17.364 1056 H LEU 66 HN LEU 66 15.937 26.770 -17.517 1057 HA LEU 66 HA LEU 66 14.947 26.399 -20.192 1058 HB2 LEU 66 HB2 LEU 66 13.550 26.357 -17.528 1059 HB3 LEU 66 HB1 LEU 66 12.722 26.111 -19.053 1060 HG LEU 66 HG LEU 66 14.914 24.374 -17.937 1061 HD11 LEU 66 HD11 LEU 66 12.841 24.180 -16.689 1062 HD12 LEU 66 HD12 LEU 66 13.132 22.728 -17.645 1063 HD13 LEU 66 HD13 LEU 66 11.947 23.916 -18.186 1064 HD21 LEU 66 HD21 LEU 66 14.372 22.877 -19.794 1065 HD22 LEU 66 HD22 LEU 66 14.929 24.438 -20.386 1066 HD23 LEU 66 HD23 LEU 66 13.208 24.050 -20.409 1067 H GLU 67 HN GLU 67 14.935 28.998 -17.856 1068 HA GLU 67 HA GLU 67 12.908 30.530 -19.112 1069 HB2 GLU 67 HB2 GLU 67 13.699 32.398 -17.796 1070 HB3 GLU 67 HB1 GLU 67 13.725 30.949 -16.800 1071 HG2 GLU 67 HG2 GLU 67 16.097 30.751 -17.062 1072 HG3 GLU 67 HG1 GLU 67 16.117 32.110 -18.181 1073 H MET 68 HN MET 68 16.279 30.039 -19.741 1074 HA MET 68 HA MET 68 16.304 32.122 -21.794 1075 HB2 MET 68 HB2 MET 68 18.684 31.654 -22.022 1076 HB3 MET 68 HB1 MET 68 18.293 31.900 -20.327 1077 HG2 MET 68 HG2 MET 68 18.450 29.567 -19.866 1078 HG3 MET 68 HG1 MET 68 18.530 29.178 -21.584 1079 HE1 MET 68 HE1 MET 68 20.405 30.663 -18.489 1080 HE2 MET 68 HE2 MET 68 20.430 32.044 -19.588 1081 HE3 MET 68 HE3 MET 68 21.930 31.204 -19.193 1082 H SER 69 HN SER 69 15.775 28.809 -21.394 1083 HA SER 69 HA SER 69 15.465 27.029 -22.718 1084 HB2 SER 69 HB2 SER 69 14.703 29.206 -24.654 1085 HB3 SER 69 HB1 SER 69 14.349 27.491 -24.880 1086 HG SER 69 HG SER 69 13.584 28.483 -22.430 Start of MODEL 6 1 H1 MET 1 HT1 MET 1 -0.252 4.376 -19.785 2 HA MET 1 HA MET 1 -0.386 3.323 -17.038 3 HB2 MET 1 HB2 MET 1 1.696 2.892 -19.190 4 HB3 MET 1 HB1 MET 1 1.870 2.415 -17.508 5 HG2 MET 1 HG2 MET 1 -0.020 0.898 -17.736 6 HG3 MET 1 HG1 MET 1 -0.209 1.385 -19.418 7 HE1 MET 1 HE1 MET 1 3.451 -0.915 -17.795 8 HE2 MET 1 HE2 MET 1 2.082 -0.414 -16.801 9 HE3 MET 1 HE3 MET 1 3.179 0.796 -17.467 10 H SER 2 HN SER 2 0.648 4.531 -15.573 11 HA SER 2 HA SER 2 2.541 6.550 -16.441 12 HB2 SER 2 HB2 SER 2 0.064 7.262 -14.848 13 HB3 SER 2 HB1 SER 2 1.396 8.357 -15.219 14 HG SER 2 HG SER 2 0.712 7.406 -17.522 15 HA PRO 3 HA PRO 3 4.118 4.459 -12.640 16 HB2 PRO 3 HB2 PRO 3 6.550 5.777 -13.743 17 HB3 PRO 3 HB1 PRO 3 6.337 4.120 -13.171 18 HG2 PRO 3 HG2 PRO 3 6.525 4.633 -15.772 19 HG3 PRO 3 HG1 PRO 3 5.396 3.407 -15.167 20 HD2 PRO 3 HD2 PRO 3 4.844 6.191 -16.107 21 HD3 PRO 3 HD1 PRO 3 3.901 4.708 -16.355 22 H TYR 4 HN TYR 4 4.527 5.443 -10.666 23 HA TYR 4 HA TYR 4 5.112 8.294 -10.601 24 HB2 TYR 4 HB2 TYR 4 3.170 8.806 -9.170 25 HB3 TYR 4 HB1 TYR 4 2.675 8.252 -10.764 26 HD1 TYR 4 HD1 TYR 4 2.425 7.715 -7.224 27 HD2 TYR 4 HD2 TYR 4 1.892 5.847 -11.008 28 HE1 TYR 4 HE1 TYR 4 1.007 6.005 -6.178 29 HE2 TYR 4 HE2 TYR 4 0.476 4.133 -9.970 30 HH TYR 4 HH TYR 4 0.047 3.153 -7.842 31 H GLY 5 HN GLY 5 5.619 9.084 -8.458 32 HA2 GLY 5 HA2 GLY 5 5.840 7.285 -6.244 33 HA3 GLY 5 HA1 GLY 5 7.390 7.498 -7.046 34 H SER 6 HN SER 6 7.255 10.112 -7.783 35 HA SER 6 HA SER 6 6.635 11.678 -5.416 36 HB2 SER 6 HB2 SER 6 9.374 11.656 -6.724 37 HB3 SER 6 HB1 SER 6 8.861 12.761 -5.449 38 HG SER 6 HG SER 6 8.320 10.426 -4.498 39 H ASP 7 HN ASP 7 4.959 12.302 -6.873 40 HA ASP 7 HA ASP 7 5.758 14.472 -8.592 41 HB2 ASP 7 HB2 ASP 7 4.355 13.583 -10.490 42 HB3 ASP 7 HB1 ASP 7 5.854 12.714 -10.196 43 H THR 8 HN THR 8 3.404 14.987 -9.836 44 HA THR 8 HA THR 8 2.083 16.590 -8.117 45 HB THR 8 HB THR 8 0.089 16.271 -9.773 46 HG1 THR 8 HG1 THR 8 1.349 14.230 -10.496 47 HG21 THR 8 HG21 THR 8 1.264 17.695 -11.397 48 HG22 THR 8 HG22 THR 8 2.803 17.275 -10.644 49 HG23 THR 8 HG23 THR 8 1.598 18.193 -9.738 50 H THR 9 HN THR 9 1.081 16.219 -6.320 51 HA THR 9 HA THR 9 -0.584 13.828 -6.060 52 HB THR 9 HB THR 9 0.652 15.604 -3.936 53 HG1 THR 9 HG1 THR 9 1.967 14.012 -5.250 54 HG21 THR 9 HG21 THR 9 -0.121 13.902 -2.339 55 HG22 THR 9 HG22 THR 9 -0.924 13.037 -3.649 56 HG23 THR 9 HG23 THR 9 -1.480 14.644 -3.184 57 HA PRO 10 HA PRO 10 -4.013 16.688 -6.207 58 HB2 PRO 10 HB2 PRO 10 -5.971 14.870 -5.735 59 HB3 PRO 10 HB1 PRO 10 -5.179 15.035 -7.308 60 HG2 PRO 10 HG2 PRO 10 -4.724 13.022 -5.150 61 HG3 PRO 10 HG1 PRO 10 -4.732 12.800 -6.908 62 HD2 PRO 10 HD2 PRO 10 -2.453 12.993 -5.410 63 HD3 PRO 10 HD1 PRO 10 -2.550 13.452 -7.121 64 H CYS 11 HN CYS 11 -4.193 18.015 -4.513 65 HA CYS 11 HA CYS 11 -5.275 16.904 -2.026 66 HB2 CYS 11 HB2 CYS 11 -2.795 17.365 -1.811 67 HB3 CYS 11 HB1 CYS 11 -3.145 19.059 -2.132 68 H CYS 12 HN CYS 12 -6.262 18.746 -0.694 69 HA CYS 12 HA CYS 12 -6.847 21.186 -1.977 70 HB2 CYS 12 HB2 CYS 12 -9.252 20.831 -2.418 71 HB3 CYS 12 HB1 CYS 12 -8.227 19.835 -3.445 72 H PHE 13 HN PHE 13 -7.994 22.578 -0.745 73 HA PHE 13 HA PHE 13 -9.286 21.754 1.705 74 HB2 PHE 13 HB2 PHE 13 -7.012 22.082 2.513 75 HB3 PHE 13 HB1 PHE 13 -6.881 23.623 1.673 76 HD1 PHE 13 HD1 PHE 13 -8.916 21.916 4.290 77 HD2 PHE 13 HD2 PHE 13 -7.246 25.565 2.885 78 HE1 PHE 13 HE1 PHE 13 -9.683 23.051 6.333 79 HE2 PHE 13 HE2 PHE 13 -8.014 26.704 4.921 80 HZ PHE 13 HZ PHE 13 -9.233 25.450 6.650 81 H ALA 14 HN ALA 14 -10.991 22.403 0.267 82 HA ALA 14 HA ALA 14 -11.501 25.239 0.444 83 HB1 ALA 14 HB1 ALA 14 -12.060 25.444 -1.921 84 HB2 ALA 14 HB2 ALA 14 -11.550 23.779 -2.198 85 HB3 ALA 14 HB3 ALA 14 -10.366 24.995 -1.719 86 H TYR 15 HN TYR 15 -13.747 25.644 -0.412 87 HA TYR 15 HA TYR 15 -15.508 23.361 -0.015 88 HB2 TYR 15 HB2 TYR 15 -16.881 24.778 1.558 89 HB3 TYR 15 HB1 TYR 15 -15.334 24.240 2.208 90 HD1 TYR 15 HD1 TYR 15 -17.110 27.147 0.748 91 HD2 TYR 15 HD2 TYR 15 -13.681 25.798 2.877 92 HE1 TYR 15 HE1 TYR 15 -16.480 29.486 1.218 93 HE2 TYR 15 HE2 TYR 15 -13.045 28.122 3.350 94 HH TYR 15 HH TYR 15 -15.133 30.748 2.838 95 H LEU 16 HN LEU 16 -17.628 23.761 -0.788 96 HA LEU 16 HA LEU 16 -17.970 26.227 -2.312 97 HB2 LEU 16 HB2 LEU 16 -17.388 23.850 -3.523 98 HB3 LEU 16 HB1 LEU 16 -19.136 23.804 -3.481 99 HG LEU 16 HG LEU 16 -17.600 26.112 -4.660 100 HD11 LEU 16 HD11 LEU 16 -18.065 25.128 -6.860 101 HD12 LEU 16 HD12 LEU 16 -18.707 23.687 -6.067 102 HD13 LEU 16 HD13 LEU 16 -16.998 24.107 -5.897 103 HD21 LEU 16 HD21 LEU 16 -19.717 26.566 -5.800 104 HD22 LEU 16 HD22 LEU 16 -19.897 26.599 -4.046 105 HD23 LEU 16 HD23 LEU 16 -20.456 25.201 -4.964 106 H SER 17 HN SER 17 -19.637 27.205 -1.525 107 HA SER 17 HA SER 17 -21.441 25.958 0.275 108 HB2 SER 17 HB2 SER 17 -21.580 28.670 -1.034 109 HB3 SER 17 HB1 SER 17 -22.447 28.168 0.423 110 HG SER 17 HG SER 17 -20.568 28.129 1.538 111 H LEU 18 HN LEU 18 -21.436 26.519 -3.109 112 HA LEU 18 HA LEU 18 -24.306 25.994 -3.275 113 HB2 LEU 18 HB2 LEU 18 -22.432 26.835 -5.484 114 HB3 LEU 18 HB1 LEU 18 -24.182 26.769 -5.560 115 HG LEU 18 HG LEU 18 -22.550 28.678 -3.883 116 HD11 LEU 18 HD11 LEU 18 -23.440 30.389 -5.359 117 HD12 LEU 18 HD12 LEU 18 -24.266 29.152 -6.306 118 HD13 LEU 18 HD13 LEU 18 -22.503 29.195 -6.258 119 HD21 LEU 18 HD21 LEU 18 -24.713 29.744 -3.384 120 HD22 LEU 18 HD22 LEU 18 -24.590 28.113 -2.729 121 HD23 LEU 18 HD23 LEU 18 -25.538 28.407 -4.189 122 H ALA 19 HN ALA 19 -23.826 23.803 -2.599 123 HA ALA 19 HA ALA 19 -22.350 21.984 -4.139 124 HB1 ALA 19 HB1 ALA 19 -24.729 21.426 -2.366 125 HB2 ALA 19 HB2 ALA 19 -23.056 21.548 -1.823 126 HB3 ALA 19 HB3 ALA 19 -23.536 20.248 -2.914 127 H LEU 20 HN LEU 20 -22.753 21.050 -6.011 128 HA LEU 20 HA LEU 20 -25.025 21.710 -7.551 129 HB2 LEU 20 HB2 LEU 20 -24.083 19.943 -9.132 130 HB3 LEU 20 HB1 LEU 20 -23.073 21.331 -8.787 131 HG LEU 20 HG LEU 20 -21.977 19.767 -7.010 132 HD11 LEU 20 HD11 LEU 20 -23.201 17.735 -8.864 133 HD12 LEU 20 HD12 LEU 20 -23.586 17.955 -7.157 134 HD13 LEU 20 HD13 LEU 20 -21.978 17.410 -7.635 135 HD21 LEU 20 HD21 LEU 20 -20.398 18.967 -8.693 136 HD22 LEU 20 HD22 LEU 20 -20.845 20.651 -8.968 137 HD23 LEU 20 HD23 LEU 20 -21.548 19.378 -9.966 138 HA PRO 21 HA PRO 21 -28.203 18.886 -6.511 139 HB2 PRO 21 HB2 PRO 21 -28.665 17.786 -9.072 140 HB3 PRO 21 HB1 PRO 21 -29.481 19.180 -8.361 141 HG2 PRO 21 HG2 PRO 21 -27.183 19.086 -10.244 142 HG3 PRO 21 HG1 PRO 21 -28.504 20.265 -10.137 143 HD2 PRO 21 HD2 PRO 21 -26.065 20.874 -9.263 144 HD3 PRO 21 HD1 PRO 21 -27.502 21.400 -8.362 145 H ARG 22 HN ARG 22 -28.435 16.817 -5.882 146 HA ARG 22 HA ARG 22 -26.225 15.091 -5.787 147 HB2 ARG 22 HB2 ARG 22 -29.153 14.648 -5.263 148 HB3 ARG 22 HB1 ARG 22 -27.975 13.359 -5.073 149 HG2 ARG 22 HG2 ARG 22 -26.885 14.483 -3.310 150 HG3 ARG 22 HG1 ARG 22 -27.735 15.993 -3.650 151 HD2 ARG 22 HD2 ARG 22 -29.054 13.442 -2.727 152 HD3 ARG 22 HD1 ARG 22 -28.623 14.790 -1.673 153 HE ARG 22 HE ARG 22 -30.105 16.017 -3.503 154 HH11 ARG 22 HH11 ARG 22 -30.714 13.080 -1.686 155 HH12 ARG 22 HH12 ARG 22 -32.433 13.255 -1.744 156 HH21 ARG 22 HH21 ARG 22 -32.369 16.253 -3.566 157 HH22 ARG 22 HH22 ARG 22 -33.379 15.064 -2.817 158 H ALA 23 HN ALA 23 -28.659 15.475 -8.143 159 HA ALA 23 HA ALA 23 -28.372 12.891 -9.369 160 HB1 ALA 23 HB1 ALA 23 -30.468 14.145 -9.530 161 HB2 ALA 23 HB2 ALA 23 -29.811 13.784 -11.127 162 HB3 ALA 23 HB3 ALA 23 -29.645 15.404 -10.451 163 H HIS 24 HN HIS 24 -26.507 15.714 -9.388 164 HA HIS 24 HA HIS 24 -25.396 15.132 -12.020 165 HB2 HIS 24 HB2 HIS 24 -25.361 17.550 -10.259 166 HB3 HIS 24 HB1 HIS 24 -24.127 17.339 -11.490 167 HD1 HIS 24 HD1 HIS 24 -25.395 19.638 -12.352 168 HD2 HIS 24 HD2 HIS 24 -27.412 16.039 -12.843 169 HE1 HIS 24 HE1 HIS 24 -27.161 20.089 -14.070 170 H VAL 25 HN VAL 25 -24.799 14.518 -8.758 171 HA VAL 25 HA VAL 25 -21.923 14.327 -9.179 172 HB VAL 25 HB VAL 25 -23.030 15.198 -6.974 173 HG11 VAL 25 HG11 VAL 25 -23.121 12.235 -6.449 174 HG12 VAL 25 HG12 VAL 25 -24.524 13.299 -6.595 175 HG13 VAL 25 HG13 VAL 25 -23.389 13.502 -5.256 176 HG21 VAL 25 HG21 VAL 25 -20.641 14.911 -7.268 177 HG22 VAL 25 HG22 VAL 25 -20.786 13.191 -6.904 178 HG23 VAL 25 HG23 VAL 25 -21.134 14.389 -5.657 179 H LYS 26 HN LYS 26 -20.792 12.357 -8.976 180 HA LYS 26 HA LYS 26 -22.472 10.034 -9.617 181 HB2 LYS 26 HB2 LYS 26 -20.761 10.885 -11.303 182 HB3 LYS 26 HB1 LYS 26 -19.532 10.361 -10.172 183 HG2 LYS 26 HG2 LYS 26 -20.065 8.099 -10.442 184 HG3 LYS 26 HG1 LYS 26 -21.615 8.467 -11.205 185 HD2 LYS 26 HD2 LYS 26 -20.078 7.757 -12.911 186 HD3 LYS 26 HD1 LYS 26 -20.374 9.484 -13.103 187 HE2 LYS 26 HE2 LYS 26 -18.058 9.231 -13.381 188 HE3 LYS 26 HE1 LYS 26 -18.255 9.841 -11.745 189 HZ1 LYS 26 HZ1 LYS 26 -16.649 7.974 -11.990 190 HZ2 LYS 26 HZ2 LYS 26 -17.939 6.958 -12.378 191 HZ3 LYS 26 HZ3 LYS 26 -17.858 7.679 -10.851 192 H GLU 27 HN GLU 27 -19.615 11.066 -7.806 193 HA GLU 27 HA GLU 27 -20.182 9.176 -5.735 194 HB2 GLU 27 HB2 GLU 27 -18.098 7.925 -5.928 195 HB3 GLU 27 HB1 GLU 27 -19.072 7.741 -7.381 196 HG2 GLU 27 HG2 GLU 27 -17.685 9.499 -8.449 197 HG3 GLU 27 HG1 GLU 27 -16.644 9.465 -7.025 198 H TYR 28 HN TYR 28 -18.213 9.177 -4.180 199 HA TYR 28 HA TYR 28 -17.024 11.853 -4.049 200 HB2 TYR 28 HB2 TYR 28 -17.404 11.920 -1.642 201 HB3 TYR 28 HB1 TYR 28 -18.943 11.655 -2.456 202 HD1 TYR 28 HD1 TYR 28 -16.519 10.319 -0.112 203 HD2 TYR 28 HD2 TYR 28 -19.979 9.385 -2.406 204 HE1 TYR 28 HE1 TYR 28 -16.903 8.328 1.283 205 HE2 TYR 28 HE2 TYR 28 -20.374 7.396 -1.014 206 HH TYR 28 HH TYR 28 -18.796 6.870 1.918 207 H PHE 29 HN PHE 29 -15.007 11.860 -2.743 208 HA PHE 29 HA PHE 29 -13.774 9.267 -2.310 209 HB2 PHE 29 HB2 PHE 29 -13.481 9.684 -4.744 210 HB3 PHE 29 HB1 PHE 29 -12.669 11.196 -4.372 211 HD1 PHE 29 HD1 PHE 29 -12.407 7.592 -3.414 212 HD2 PHE 29 HD2 PHE 29 -10.384 11.167 -4.523 213 HE1 PHE 29 HE1 PHE 29 -10.261 6.394 -3.348 214 HE2 PHE 29 HE2 PHE 29 -8.232 9.974 -4.457 215 HZ PHE 29 HZ PHE 29 -8.171 7.583 -3.868 216 H TYR 30 HN TYR 30 -11.899 9.403 -1.040 217 HA TYR 30 HA TYR 30 -11.668 11.897 0.435 218 HB2 TYR 30 HB2 TYR 30 -10.492 9.153 0.903 219 HB3 TYR 30 HB1 TYR 30 -10.181 10.540 1.938 220 HD1 TYR 30 HD1 TYR 30 -12.601 7.993 0.972 221 HD2 TYR 30 HD2 TYR 30 -11.973 11.472 3.336 222 HE1 TYR 30 HE1 TYR 30 -14.631 7.479 2.258 223 HE2 TYR 30 HE2 TYR 30 -13.999 10.966 4.630 224 HH TYR 30 HH TYR 30 -16.105 9.709 4.328 225 H THR 31 HN THR 31 -9.848 13.154 0.520 226 HA THR 31 HA THR 31 -8.194 13.169 -1.761 227 HB THR 31 HB THR 31 -6.897 14.931 -0.501 228 HG1 THR 31 HG1 THR 31 -7.217 15.050 1.575 229 HG21 THR 31 HG21 THR 31 -8.796 15.437 -1.975 230 HG22 THR 31 HG22 THR 31 -8.686 16.556 -0.619 231 HG23 THR 31 HG23 THR 31 -9.889 15.265 -0.602 232 H SER 32 HN SER 32 -5.757 13.356 -1.586 233 HA SER 32 HA SER 32 -4.635 10.921 -0.947 234 HB2 SER 32 HB2 SER 32 -3.232 13.595 -1.100 235 HB3 SER 32 HB1 SER 32 -2.479 12.010 -1.289 236 HG SER 32 HG SER 32 -3.928 13.501 -3.079 237 H SER 33 HN SER 33 -3.949 10.005 0.881 238 HA SER 33 HA SER 33 -4.432 11.304 3.365 239 HB2 SER 33 HB2 SER 33 -3.015 8.689 2.874 240 HB3 SER 33 HB1 SER 33 -3.768 9.223 4.377 241 HG SER 33 HG SER 33 -5.399 9.257 2.137 242 H LYS 34 HN LYS 34 -1.834 11.451 1.279 243 HA LYS 34 HA LYS 34 0.303 11.683 3.151 244 HB2 LYS 34 HB2 LYS 34 0.002 12.752 0.334 245 HB3 LYS 34 HB1 LYS 34 1.488 12.835 1.266 246 HG2 LYS 34 HG2 LYS 34 0.086 10.298 0.455 247 HG3 LYS 34 HG1 LYS 34 1.487 10.998 -0.356 248 HD2 LYS 34 HD2 LYS 34 2.784 10.770 1.724 249 HD3 LYS 34 HD1 LYS 34 1.383 10.040 2.508 250 HE2 LYS 34 HE2 LYS 34 2.827 8.939 0.098 251 HE3 LYS 34 HE1 LYS 34 2.996 8.353 1.752 252 HZ1 LYS 34 HZ1 LYS 34 0.504 8.311 0.135 253 HZ2 LYS 34 HZ2 LYS 34 0.638 7.783 1.734 254 HZ3 LYS 34 HZ3 LYS 34 1.474 6.979 0.507 255 H CYS 35 HN CYS 35 -2.209 13.738 2.013 256 HA CYS 35 HA CYS 35 -0.984 16.170 2.955 257 HB2 CYS 35 HB2 CYS 35 -3.808 15.664 1.996 258 HB3 CYS 35 HB1 CYS 35 -3.041 17.236 2.209 259 H SER 36 HN SER 36 -1.420 17.188 4.837 260 HA SER 36 HA SER 36 -2.352 15.709 7.021 261 HB2 SER 36 HB2 SER 36 -2.105 18.713 6.821 262 HB3 SER 36 HB1 SER 36 -2.051 17.736 8.291 263 HG SER 36 HG SER 36 -0.164 16.705 7.340 264 H ASN 37 HN ASN 37 -3.909 18.136 4.997 265 HA ASN 37 HA ASN 37 -6.346 17.995 6.546 266 HB2 ASN 37 HB2 ASN 37 -5.720 20.164 5.641 267 HB3 ASN 37 HB1 ASN 37 -5.698 19.506 4.007 268 HD21 ASN 37 HD21 ASN 37 -7.620 19.189 2.922 269 HD22 ASN 37 HD22 ASN 37 -9.137 19.745 3.528 270 H LEU 38 HN LEU 38 -7.887 16.596 6.195 271 HA LEU 38 HA LEU 38 -7.874 15.077 3.706 272 HB2 LEU 38 HB2 LEU 38 -7.852 13.839 5.843 273 HB3 LEU 38 HB1 LEU 38 -9.375 14.588 6.279 274 HG LEU 38 HG LEU 38 -10.444 13.469 4.344 275 HD11 LEU 38 HD11 LEU 38 -7.753 12.141 4.068 276 HD12 LEU 38 HD12 LEU 38 -8.542 13.197 2.893 277 HD13 LEU 38 HD13 LEU 38 -9.229 11.617 3.262 278 HD21 LEU 38 HD21 LEU 38 -10.447 11.227 5.317 279 HD22 LEU 38 HD22 LEU 38 -10.555 12.476 6.558 280 HD23 LEU 38 HD23 LEU 38 -9.026 11.641 6.275 281 H ALA 39 HN ALA 39 -9.339 15.448 2.206 282 HA ALA 39 HA ALA 39 -11.791 16.863 2.959 283 HB1 ALA 39 HB1 ALA 39 -11.653 18.182 0.900 284 HB2 ALA 39 HB2 ALA 39 -10.097 17.436 0.531 285 HB3 ALA 39 HB3 ALA 39 -10.263 18.473 1.947 286 H VAL 40 HN VAL 40 -13.358 16.773 0.976 287 HA VAL 40 HA VAL 40 -13.277 14.014 -0.035 288 HB VAL 40 HB VAL 40 -15.769 15.630 0.481 289 HG11 VAL 40 HG11 VAL 40 -16.910 13.484 0.281 290 HG12 VAL 40 HG12 VAL 40 -15.370 12.707 -0.092 291 HG13 VAL 40 HG13 VAL 40 -16.041 13.911 -1.194 292 HG21 VAL 40 HG21 VAL 40 -16.102 14.340 2.495 293 HG22 VAL 40 HG22 VAL 40 -14.541 15.157 2.580 294 HG23 VAL 40 HG23 VAL 40 -14.618 13.437 2.196 295 H VAL 41 HN VAL 41 -13.317 13.777 -2.113 296 HA VAL 41 HA VAL 41 -13.762 16.121 -3.814 297 HB VAL 41 HB VAL 41 -12.358 13.531 -4.498 298 HG11 VAL 41 HG11 VAL 41 -12.559 16.147 -5.976 299 HG12 VAL 41 HG12 VAL 41 -13.291 14.611 -6.443 300 HG13 VAL 41 HG13 VAL 41 -11.535 14.790 -6.442 301 HG21 VAL 41 HG21 VAL 41 -11.111 14.757 -2.803 302 HG22 VAL 41 HG22 VAL 41 -11.184 16.218 -3.787 303 HG23 VAL 41 HG23 VAL 41 -10.276 14.816 -4.355 304 H PHE 42 HN PHE 42 -15.573 16.175 -4.916 305 HA PHE 42 HA PHE 42 -17.112 13.704 -5.221 306 HB2 PHE 42 HB2 PHE 42 -17.913 16.603 -5.406 307 HB3 PHE 42 HB1 PHE 42 -18.991 15.277 -5.817 308 HD1 PHE 42 HD1 PHE 42 -17.373 17.128 -3.151 309 HD2 PHE 42 HD2 PHE 42 -19.799 13.761 -4.078 310 HE1 PHE 42 HE1 PHE 42 -18.011 16.939 -0.785 311 HE2 PHE 42 HE2 PHE 42 -20.448 13.568 -1.717 312 HZ PHE 42 HZ PHE 42 -19.561 15.153 -0.067 313 H VAL 43 HN VAL 43 -17.202 12.733 -7.085 314 HA VAL 43 HA VAL 43 -16.249 14.135 -9.463 315 HB VAL 43 HB VAL 43 -16.772 11.191 -8.966 316 HG11 VAL 43 HG11 VAL 43 -15.812 10.785 -11.176 317 HG12 VAL 43 HG12 VAL 43 -15.690 12.523 -11.452 318 HG13 VAL 43 HG13 VAL 43 -17.274 11.763 -11.292 319 HG21 VAL 43 HG21 VAL 43 -14.773 12.036 -7.861 320 HG22 VAL 43 HG22 VAL 43 -14.205 12.727 -9.381 321 HG23 VAL 43 HG23 VAL 43 -14.335 10.976 -9.201 322 H THR 44 HN THR 44 -17.613 14.855 -10.912 323 HA THR 44 HA THR 44 -20.452 14.492 -10.504 324 HB THR 44 HB THR 44 -20.699 16.187 -12.277 325 HG1 THR 44 HG1 THR 44 -17.879 16.375 -12.344 326 HG21 THR 44 HG21 THR 44 -19.590 18.033 -11.135 327 HG22 THR 44 HG22 THR 44 -18.554 16.893 -10.279 328 HG23 THR 44 HG23 THR 44 -20.291 16.917 -9.961 329 H ARG 45 HN ARG 45 -21.803 14.349 -12.591 330 HA ARG 45 HA ARG 45 -21.148 11.891 -13.939 331 HB2 ARG 45 HB2 ARG 45 -23.408 13.801 -14.576 332 HB3 ARG 45 HB1 ARG 45 -23.298 12.107 -15.021 333 HG2 ARG 45 HG2 ARG 45 -23.636 13.202 -12.236 334 HG3 ARG 45 HG1 ARG 45 -24.878 12.425 -13.215 335 HD2 ARG 45 HD2 ARG 45 -22.347 11.138 -12.219 336 HD3 ARG 45 HD1 ARG 45 -23.951 10.908 -11.536 337 HE ARG 45 HE ARG 45 -23.381 10.168 -14.324 338 HH11 ARG 45 HH11 ARG 45 -24.365 9.252 -11.065 339 HH12 ARG 45 HH12 ARG 45 -24.872 7.672 -11.537 340 HH21 ARG 45 HH21 ARG 45 -24.059 8.054 -14.921 341 HH22 ARG 45 HH22 ARG 45 -24.700 6.989 -13.720 342 H ARG 46 HN ARG 46 -20.099 14.937 -14.309 343 HA ARG 46 HA ARG 46 -20.000 14.884 -17.242 344 HB2 ARG 46 HB2 ARG 46 -19.280 17.106 -15.334 345 HB3 ARG 46 HB1 ARG 46 -19.317 17.217 -17.087 346 HG2 ARG 46 HG2 ARG 46 -21.720 16.827 -17.065 347 HG3 ARG 46 HG1 ARG 46 -21.684 16.710 -15.304 348 HD2 ARG 46 HD2 ARG 46 -22.374 18.921 -15.869 349 HD3 ARG 46 HD1 ARG 46 -20.725 18.995 -15.248 350 HE ARG 46 HE ARG 46 -21.043 18.852 -18.138 351 HH11 ARG 46 HH11 ARG 46 -20.342 20.813 -15.315 352 HH12 ARG 46 HH12 ARG 46 -19.732 22.142 -16.238 353 HH21 ARG 46 HH21 ARG 46 -20.230 20.590 -19.353 354 HH22 ARG 46 HH22 ARG 46 -19.646 22.013 -18.555 355 H ASN 47 HN ASN 47 -18.368 13.513 -14.957 356 HA ASN 47 HA ASN 47 -16.284 12.690 -14.693 357 HB2 ASN 47 HB2 ASN 47 -15.846 13.915 -17.419 358 HB3 ASN 47 HB1 ASN 47 -14.623 12.964 -16.583 359 HD21 ASN 47 HD21 ASN 47 -17.672 12.912 -18.218 360 HD22 ASN 47 HD22 ASN 47 -17.788 11.203 -18.407 361 H ARG 48 HN ARG 48 -17.065 15.624 -14.090 362 HA ARG 48 HA ARG 48 -14.329 16.638 -13.744 363 HB2 ARG 48 HB2 ARG 48 -16.077 18.133 -14.803 364 HB3 ARG 48 HB1 ARG 48 -16.911 18.133 -13.253 365 HG2 ARG 48 HG2 ARG 48 -14.744 18.971 -12.249 366 HG3 ARG 48 HG1 ARG 48 -14.205 19.248 -13.903 367 HD2 ARG 48 HD2 ARG 48 -16.145 20.719 -14.260 368 HD3 ARG 48 HD1 ARG 48 -16.628 20.467 -12.582 369 HE ARG 48 HE ARG 48 -14.499 22.145 -13.549 370 HH11 ARG 48 HH11 ARG 48 -15.792 20.469 -10.742 371 HH12 ARG 48 HH12 ARG 48 -14.808 21.337 -9.623 372 HH21 ARG 48 HH21 ARG 48 -13.224 23.282 -12.069 373 HH22 ARG 48 HH22 ARG 48 -13.321 22.951 -10.370 374 H GLN 49 HN GLN 49 -13.588 17.195 -11.669 375 HA GLN 49 HA GLN 49 -15.235 16.082 -9.512 376 HB2 GLN 49 HB2 GLN 49 -13.106 15.523 -8.366 377 HB3 GLN 49 HB1 GLN 49 -13.372 14.637 -9.860 378 HG2 GLN 49 HG2 GLN 49 -11.871 16.219 -11.012 379 HG3 GLN 49 HG1 GLN 49 -11.538 16.984 -9.457 380 HE21 GLN 49 HE21 GLN 49 -11.706 14.382 -8.101 381 HE22 GLN 49 HE22 GLN 49 -10.210 13.578 -8.445 382 H VAL 50 HN VAL 50 -15.248 17.090 -7.533 383 HA VAL 50 HA VAL 50 -14.132 19.814 -7.433 384 HB VAL 50 HB VAL 50 -16.577 19.820 -7.945 385 HG11 VAL 50 HG11 VAL 50 -16.861 18.519 -5.262 386 HG12 VAL 50 HG12 VAL 50 -17.173 17.778 -6.830 387 HG13 VAL 50 HG13 VAL 50 -18.181 19.119 -6.272 388 HG21 VAL 50 HG21 VAL 50 -15.868 20.900 -5.221 389 HG22 VAL 50 HG22 VAL 50 -17.247 21.408 -6.198 390 HG23 VAL 50 HG23 VAL 50 -15.604 21.714 -6.763 391 H CYS 51 HN CYS 51 -13.651 20.573 -5.261 392 HA CYS 51 HA CYS 51 -13.356 18.365 -3.336 393 HB2 CYS 51 HB2 CYS 51 -11.631 20.789 -3.796 394 HB3 CYS 51 HB1 CYS 51 -11.476 19.740 -2.394 395 H ALA 52 HN ALA 52 -14.003 18.636 -1.266 396 HA ALA 52 HA ALA 52 -14.712 21.260 -0.280 397 HB1 ALA 52 HB1 ALA 52 -16.794 19.085 -0.475 398 HB2 ALA 52 HB2 ALA 52 -16.752 20.560 -1.444 399 HB3 ALA 52 HB3 ALA 52 -16.998 20.656 0.300 400 H ASN 53 HN ASN 53 -14.856 21.355 1.955 401 HA ASN 53 HA ASN 53 -13.427 19.309 3.357 402 HB2 ASN 53 HB2 ASN 53 -14.838 21.742 4.490 403 HB3 ASN 53 HB1 ASN 53 -13.641 20.756 5.317 404 HD21 ASN 53 HD21 ASN 53 -11.443 20.873 4.609 405 HD22 ASN 53 HD22 ASN 53 -10.875 22.248 3.733 406 HA PRO 54 HA PRO 54 -16.968 16.862 4.433 407 HB2 PRO 54 HB2 PRO 54 -15.850 15.330 6.338 408 HB3 PRO 54 HB1 PRO 54 -15.423 15.160 4.630 409 HG2 PRO 54 HG2 PRO 54 -14.006 16.687 6.784 410 HG3 PRO 54 HG1 PRO 54 -13.324 15.533 5.617 411 HD2 PRO 54 HD2 PRO 54 -13.155 18.181 5.232 412 HD3 PRO 54 HD1 PRO 54 -13.422 17.064 3.876 413 H GLU 55 HN GLU 55 -15.913 19.359 6.227 414 HA GLU 55 HA GLU 55 -17.257 18.684 8.694 415 HB2 GLU 55 HB2 GLU 55 -15.909 21.244 7.826 416 HB3 GLU 55 HB1 GLU 55 -16.544 20.930 9.436 417 HG2 GLU 55 HG2 GLU 55 -14.970 19.068 9.682 418 HG3 GLU 55 HG1 GLU 55 -14.319 19.422 8.084 419 H LYS 56 HN LYS 56 -18.205 19.772 5.727 420 HA LYS 56 HA LYS 56 -20.385 21.414 6.778 421 HB2 LYS 56 HB2 LYS 56 -19.455 20.870 3.964 422 HB3 LYS 56 HB1 LYS 56 -20.959 21.706 4.317 423 HG2 LYS 56 HG2 LYS 56 -19.646 23.402 5.587 424 HG3 LYS 56 HG1 LYS 56 -18.174 22.601 5.035 425 HD2 LYS 56 HD2 LYS 56 -18.781 23.037 2.718 426 HD3 LYS 56 HD1 LYS 56 -20.301 23.767 3.234 427 HE2 LYS 56 HE2 LYS 56 -17.552 24.793 3.951 428 HE3 LYS 56 HE1 LYS 56 -18.564 25.437 2.661 429 HZ1 LYS 56 HZ1 LYS 56 -20.213 26.053 4.302 430 HZ2 LYS 56 HZ2 LYS 56 -18.723 26.745 4.694 431 HZ3 LYS 56 HZ3 LYS 56 -19.277 25.397 5.543 432 H LYS 57 HN LYS 57 -22.499 20.861 6.674 433 HA LYS 57 HA LYS 57 -23.133 18.154 6.914 434 HB2 LYS 57 HB2 LYS 57 -24.446 19.876 8.008 435 HB3 LYS 57 HB1 LYS 57 -24.964 20.508 6.451 436 HG2 LYS 57 HG2 LYS 57 -26.225 18.522 5.993 437 HG3 LYS 57 HG1 LYS 57 -25.586 17.732 7.435 438 HD2 LYS 57 HD2 LYS 57 -26.703 19.383 8.842 439 HD3 LYS 57 HD1 LYS 57 -27.314 20.203 7.403 440 HE2 LYS 57 HE2 LYS 57 -28.987 18.719 8.471 441 HE3 LYS 57 HE1 LYS 57 -28.631 18.285 6.802 442 HZ1 LYS 57 HZ1 LYS 57 -27.314 16.964 9.107 443 HZ2 LYS 57 HZ2 LYS 57 -27.356 16.445 7.490 444 HZ3 LYS 57 HZ3 LYS 57 -28.755 16.401 8.431 445 H TRP 58 HN TRP 58 -23.436 20.325 4.150 446 HA TRP 58 HA TRP 58 -25.038 18.718 2.513 447 HB2 TRP 58 HB2 TRP 58 -22.842 20.660 1.766 448 HB3 TRP 58 HB1 TRP 58 -23.921 19.912 0.596 449 HD1 TRP 58 HD1 TRP 58 -23.712 22.756 3.051 450 HE1 TRP 58 HE1 TRP 58 -25.887 24.137 2.954 451 HE3 TRP 58 HE3 TRP 58 -26.556 19.606 0.200 452 HZ2 TRP 58 HZ2 TRP 58 -28.457 23.919 1.822 453 HZ3 TRP 58 HZ3 TRP 58 -28.864 20.270 -0.343 454 HH2 TRP 58 HH2 TRP 58 -29.791 22.379 0.452 455 H VAL 59 HN VAL 59 -21.601 18.718 3.098 456 HA VAL 59 HA VAL 59 -20.890 16.862 1.075 457 HB VAL 59 HB VAL 59 -19.470 17.469 3.689 458 HG11 VAL 59 HG11 VAL 59 -17.458 16.633 2.553 459 HG12 VAL 59 HG12 VAL 59 -18.440 16.178 1.167 460 HG13 VAL 59 HG13 VAL 59 -18.689 15.382 2.721 461 HG21 VAL 59 HG21 VAL 59 -19.078 18.654 0.942 462 HG22 VAL 59 HG22 VAL 59 -18.091 19.000 2.362 463 HG23 VAL 59 HG23 VAL 59 -19.792 19.470 2.331 464 H GLN 60 HN GLN 60 -21.821 16.607 4.431 465 HA GLN 60 HA GLN 60 -21.361 13.826 4.719 466 HB2 GLN 60 HB2 GLN 60 -23.256 15.621 6.244 467 HB3 GLN 60 HB1 GLN 60 -22.721 14.024 6.749 468 HG2 GLN 60 HG2 GLN 60 -20.929 16.407 6.365 469 HG3 GLN 60 HG1 GLN 60 -21.556 15.853 7.912 470 HE21 GLN 60 HE21 GLN 60 -19.312 15.274 5.358 471 HE22 GLN 60 HE22 GLN 60 -18.397 14.044 6.156 472 H GLU 61 HN GLU 61 -24.166 15.777 3.837 473 HA GLU 61 HA GLU 61 -26.048 13.704 3.736 474 HB2 GLU 61 HB2 GLU 61 -25.927 16.248 2.115 475 HB3 GLU 61 HB1 GLU 61 -27.345 15.233 2.309 476 HG2 GLU 61 HG2 GLU 61 -25.932 16.700 4.516 477 HG3 GLU 61 HG1 GLU 61 -27.402 17.229 3.715 478 H TYR 62 HN TYR 62 -23.916 15.105 1.302 479 HA TYR 62 HA TYR 62 -24.889 13.438 -0.792 480 HB2 TYR 62 HB2 TYR 62 -22.473 15.191 -0.519 481 HB3 TYR 62 HB1 TYR 62 -22.641 14.116 -1.903 482 HD1 TYR 62 HD1 TYR 62 -24.983 16.358 -0.039 483 HD2 TYR 62 HD2 TYR 62 -23.318 15.260 -3.792 484 HE1 TYR 62 HE1 TYR 62 -26.389 18.036 -1.143 485 HE2 TYR 62 HE2 TYR 62 -24.739 16.936 -4.914 486 HH TYR 62 HH TYR 62 -26.272 18.491 -4.656 487 H ILE 63 HN ILE 63 -22.231 13.168 1.487 488 HA ILE 63 HA ILE 63 -21.079 10.844 0.365 489 HB ILE 63 HB ILE 63 -21.066 11.939 3.177 490 HG12 ILE 63 HG12 ILE 63 -18.885 11.632 1.102 491 HG13 ILE 63 HG11 ILE 63 -19.744 13.125 1.470 492 HG21 ILE 63 HG21 ILE 63 -19.640 9.461 2.213 493 HG22 ILE 63 HG22 ILE 63 -20.961 9.522 3.381 494 HG23 ILE 63 HG23 ILE 63 -19.400 10.242 3.778 495 HD11 ILE 63 HD11 ILE 63 -17.539 13.046 2.503 496 HD12 ILE 63 HD12 ILE 63 -18.004 11.595 3.390 497 HD13 ILE 63 HD13 ILE 63 -18.822 13.126 3.709 498 H ASN 64 HN ASN 64 -23.515 11.280 2.886 499 HA ASN 64 HA ASN 64 -23.901 8.541 3.413 500 HB2 ASN 64 HB2 ASN 64 -25.138 9.380 5.086 501 HB3 ASN 64 HB1 ASN 64 -24.915 10.986 4.411 502 HD21 ASN 64 HD21 ASN 64 -26.546 11.864 3.136 503 HD22 ASN 64 HD22 ASN 64 -28.165 11.268 3.176 504 H TYR 65 HN TYR 65 -25.347 10.752 1.116 505 HA TYR 65 HA TYR 65 -27.407 8.999 0.236 506 HB2 TYR 65 HB2 TYR 65 -27.407 11.490 -0.093 507 HB3 TYR 65 HB1 TYR 65 -26.111 11.272 -1.258 508 HD1 TYR 65 HD1 TYR 65 -29.567 9.998 -0.616 509 HD2 TYR 65 HD2 TYR 65 -26.663 11.172 -3.495 510 HE1 TYR 65 HE1 TYR 65 -31.223 9.687 -2.406 511 HE2 TYR 65 HE2 TYR 65 -28.311 10.862 -5.292 512 HH TYR 65 HH TYR 65 -30.383 9.635 -5.706 513 H LEU 66 HN LEU 66 -24.173 9.768 -0.943 514 HA LEU 66 HA LEU 66 -24.426 8.053 -3.211 515 HB2 LEU 66 HB2 LEU 66 -22.061 9.451 -1.995 516 HB3 LEU 66 HB1 LEU 66 -21.946 8.460 -3.437 517 HG LEU 66 HG LEU 66 -23.692 10.897 -3.176 518 HD11 LEU 66 HD11 LEU 66 -20.990 10.572 -4.468 519 HD12 LEU 66 HD12 LEU 66 -21.348 11.509 -3.019 520 HD13 LEU 66 HD13 LEU 66 -22.015 12.002 -4.574 521 HD21 LEU 66 HD21 LEU 66 -22.873 9.265 -5.578 522 HD22 LEU 66 HD22 LEU 66 -23.882 10.711 -5.593 523 HD23 LEU 66 HD23 LEU 66 -24.462 9.244 -4.816 524 H GLU 67 HN GLU 67 -23.215 7.619 0.049 525 HA GLU 67 HA GLU 67 -21.912 5.156 -0.590 526 HB2 GLU 67 HB2 GLU 67 -21.429 4.923 1.714 527 HB3 GLU 67 HB1 GLU 67 -21.351 6.649 1.394 528 HG2 GLU 67 HG2 GLU 67 -23.503 6.980 2.389 529 HG3 GLU 67 HG1 GLU 67 -23.715 5.244 2.592 530 H MET 68 HN MET 68 -25.142 6.084 0.332 531 HA MET 68 HA MET 68 -25.901 3.319 0.802 532 HB2 MET 68 HB2 MET 68 -28.098 4.128 1.361 533 HB3 MET 68 HB1 MET 68 -26.918 5.149 2.163 534 HG2 MET 68 HG2 MET 68 -27.244 6.879 0.491 535 HG3 MET 68 HG1 MET 68 -28.381 5.844 -0.376 536 HE1 MET 68 HE1 MET 68 -30.725 5.087 0.613 537 HE2 MET 68 HE2 MET 68 -31.358 5.618 2.170 538 HE3 MET 68 HE3 MET 68 -29.988 4.510 2.109 539 H SER 69 HN SER 69 -26.064 5.714 -1.714 540 HA SER 69 HA SER 69 -26.665 5.666 -3.867 541 HB2 SER 69 HB2 SER 69 -26.308 2.694 -3.534 542 HB3 SER 69 HB1 SER 69 -26.345 3.564 -5.070 543 HG SER 69 HG SER 69 -24.547 4.477 -3.163 544 H1 MET 1 HT1 MET 1 -16.631 22.729 -20.708 545 HA MET 1 HA MET 1 -13.826 23.269 -21.432 546 HB2 MET 1 HB2 MET 1 -15.910 25.017 -20.124 547 HB3 MET 1 HB1 MET 1 -14.191 25.373 -20.122 548 HG2 MET 1 HG2 MET 1 -14.212 25.501 -22.556 549 HG3 MET 1 HG1 MET 1 -15.938 25.139 -22.557 550 HE1 MET 1 HE1 MET 1 -14.128 28.980 -20.737 551 HE2 MET 1 HE2 MET 1 -13.168 27.690 -21.460 552 HE3 MET 1 HE3 MET 1 -14.023 27.411 -19.943 553 H SER 2 HN SER 2 -12.525 23.669 -19.498 554 HA SER 2 HA SER 2 -13.543 22.174 -17.181 555 HB2 SER 2 HB2 SER 2 -10.674 22.296 -18.136 556 HB3 SER 2 HB1 SER 2 -11.288 21.351 -16.780 557 HG SER 2 HG SER 2 -12.634 20.247 -18.359 558 HA PRO 3 HA PRO 3 -12.363 26.286 -15.523 559 HB2 PRO 3 HB2 PRO 3 -14.616 26.807 -14.187 560 HB3 PRO 3 HB1 PRO 3 -14.539 27.026 -15.939 561 HG2 PRO 3 HG2 PRO 3 -15.765 24.808 -14.361 562 HG3 PRO 3 HG1 PRO 3 -16.339 25.576 -15.850 563 HD2 PRO 3 HD2 PRO 3 -14.951 23.159 -15.703 564 HD3 PRO 3 HD1 PRO 3 -15.134 24.153 -17.161 565 H TYR 4 HN TYR 4 -12.379 26.958 -13.112 566 HA TYR 4 HA TYR 4 -12.673 24.757 -11.259 567 HB2 TYR 4 HB2 TYR 4 -10.386 24.811 -10.420 568 HB3 TYR 4 HB1 TYR 4 -10.394 24.401 -12.128 569 HD1 TYR 4 HD1 TYR 4 -9.182 26.666 -9.608 570 HD2 TYR 4 HD2 TYR 4 -9.735 26.192 -13.801 571 HE1 TYR 4 HE1 TYR 4 -7.546 28.452 -10.019 572 HE2 TYR 4 HE2 TYR 4 -8.099 27.982 -14.220 573 HH TYR 4 HH TYR 4 -7.158 29.927 -13.043 574 H GLY 5 HN GLY 5 -13.165 25.386 -9.239 575 HA2 GLY 5 HA2 GLY 5 -12.759 28.231 -8.569 576 HA3 GLY 5 HA1 GLY 5 -14.323 27.461 -8.318 577 H SER 6 HN SER 6 -13.516 25.000 -7.417 578 HA SER 6 HA SER 6 -11.697 25.239 -5.220 579 HB2 SER 6 HB2 SER 6 -14.657 24.836 -4.669 580 HB3 SER 6 HB1 SER 6 -13.366 24.723 -3.472 581 HG SER 6 HG SER 6 -13.124 27.044 -4.748 582 H ASP 7 HN ASP 7 -10.751 23.554 -6.435 583 HA ASP 7 HA ASP 7 -11.931 20.965 -5.954 584 HB2 ASP 7 HB2 ASP 7 -11.489 20.375 -8.444 585 HB3 ASP 7 HB1 ASP 7 -12.959 21.238 -8.017 586 H THR 8 HN THR 8 -10.314 19.464 -7.602 587 HA THR 8 HA THR 8 -8.217 18.883 -6.005 588 HB THR 8 HB THR 8 -7.186 17.886 -8.195 589 HG1 THR 8 HG1 THR 8 -8.790 19.315 -9.406 590 HG21 THR 8 HG21 THR 8 -8.761 16.005 -8.019 591 HG22 THR 8 HG22 THR 8 -9.857 17.019 -7.080 592 HG23 THR 8 HG23 THR 8 -8.273 16.594 -6.429 593 H THR 9 HN THR 9 -6.550 19.951 -5.371 594 HA THR 9 HA THR 9 -5.276 21.867 -7.163 595 HB THR 9 HB THR 9 -4.994 21.520 -4.165 596 HG1 THR 9 HG1 THR 9 -7.060 22.403 -5.375 597 HG21 THR 9 HG21 THR 9 -3.939 23.735 -4.236 598 HG22 THR 9 HG22 THR 9 -4.099 23.759 -5.992 599 HG23 THR 9 HG23 THR 9 -3.041 22.579 -5.219 600 HA PRO 10 HA PRO 10 -2.004 18.805 -7.481 601 HB2 PRO 10 HB2 PRO 10 -0.373 20.285 -9.080 602 HB3 PRO 10 HB1 PRO 10 -1.783 19.414 -9.694 603 HG2 PRO 10 HG2 PRO 10 -1.467 22.314 -9.057 604 HG3 PRO 10 HG1 PRO 10 -2.339 21.549 -10.397 605 HD2 PRO 10 HD2 PRO 10 -3.558 22.530 -8.158 606 HD3 PRO 10 HD1 PRO 10 -4.219 21.201 -9.131 607 H CYS 11 HN CYS 11 -0.822 18.580 -5.687 608 HA CYS 11 HA CYS 11 1.072 20.719 -5.027 609 HB2 CYS 11 HB2 CYS 11 -0.939 20.690 -3.475 610 HB3 CYS 11 HB1 CYS 11 -0.415 19.094 -2.953 611 H CYS 12 HN CYS 12 2.873 19.847 -3.634 612 HA CYS 12 HA CYS 12 3.324 17.062 -3.512 613 HB2 CYS 12 HB2 CYS 12 5.208 16.990 -5.159 614 HB3 CYS 12 HB1 CYS 12 3.616 17.179 -5.889 615 H PHE 13 HN PHE 13 5.412 16.530 -2.688 616 HA PHE 13 HA PHE 13 7.277 18.552 -1.898 617 HB2 PHE 13 HB2 PHE 13 5.630 18.909 -0.125 618 HB3 PHE 13 HB1 PHE 13 5.561 17.185 0.212 619 HD1 PHE 13 HD1 PHE 13 8.112 19.910 0.039 620 HD2 PHE 13 HD2 PHE 13 6.698 16.453 2.069 621 HE1 PHE 13 HE1 PHE 13 9.874 20.187 1.732 622 HE2 PHE 13 HE2 PHE 13 8.455 16.723 3.765 623 HZ PHE 13 HZ PHE 13 10.046 18.595 3.598 624 H ALA 14 HN ALA 14 8.279 16.954 -3.387 625 HA ALA 14 HA ALA 14 9.882 15.125 -1.980 626 HB1 ALA 14 HB1 ALA 14 9.102 13.038 -3.015 627 HB2 ALA 14 HB2 ALA 14 7.748 13.903 -3.742 628 HB3 ALA 14 HB3 ALA 14 7.852 13.745 -1.990 629 H TYR 15 HN TYR 15 11.039 13.696 -3.706 630 HA TYR 15 HA TYR 15 11.165 14.741 -6.347 631 HB2 TYR 15 HB2 TYR 15 13.543 15.506 -6.181 632 HB3 TYR 15 HB1 TYR 15 12.414 16.529 -5.302 633 HD1 TYR 15 HD1 TYR 15 15.311 14.375 -5.062 634 HD2 TYR 15 HD2 TYR 15 12.312 16.382 -2.811 635 HE1 TYR 15 HE1 TYR 15 16.669 14.129 -3.031 636 HE2 TYR 15 HE2 TYR 15 13.664 16.136 -0.778 637 HH TYR 15 HH TYR 15 15.487 14.556 0.041 638 H LEU 16 HN LEU 16 13.162 13.709 -7.454 639 HA LEU 16 HA LEU 16 13.355 10.970 -6.422 640 HB2 LEU 16 HB2 LEU 16 13.301 12.054 -9.201 641 HB3 LEU 16 HB1 LEU 16 14.031 10.505 -8.861 642 HG LEU 16 HG LEU 16 11.692 10.045 -7.719 643 HD11 LEU 16 HD11 LEU 16 9.874 11.094 -8.935 644 HD12 LEU 16 HD12 LEU 16 11.038 12.077 -9.832 645 HD13 LEU 16 HD13 LEU 16 10.853 12.302 -8.094 646 HD21 LEU 16 HD21 LEU 16 10.980 9.027 -9.819 647 HD22 LEU 16 HD22 LEU 16 12.700 8.766 -9.513 648 HD23 LEU 16 HD23 LEU 16 12.188 9.978 -10.688 649 H SER 17 HN SER 17 15.224 9.879 -6.553 650 HA SER 17 HA SER 17 17.628 11.465 -6.422 651 HB2 SER 17 HB2 SER 17 17.117 8.500 -6.158 652 HB3 SER 17 HB1 SER 17 18.675 9.275 -5.857 653 HG SER 17 HG SER 17 17.726 9.136 -3.894 654 H LEU 18 HN LEU 18 15.916 9.388 -8.575 655 HA LEU 18 HA LEU 18 18.122 9.150 -10.452 656 HB2 LEU 18 HB2 LEU 18 15.253 8.233 -10.700 657 HB3 LEU 18 HB1 LEU 18 16.574 7.790 -11.760 658 HG LEU 18 HG LEU 18 16.294 7.001 -8.861 659 HD11 LEU 18 HD11 LEU 18 15.988 4.748 -9.743 660 HD12 LEU 18 HD12 LEU 18 16.051 5.383 -11.387 661 HD13 LEU 18 HD13 LEU 18 14.729 5.844 -10.314 662 HD21 LEU 18 HD21 LEU 18 18.629 7.282 -9.447 663 HD22 LEU 18 HD22 LEU 18 18.407 6.294 -10.890 664 HD23 LEU 18 HD23 LEU 18 18.244 5.567 -9.291 665 H ALA 19 HN ALA 19 17.398 11.772 -9.941 666 HA ALA 19 HA ALA 19 15.567 13.102 -11.439 667 HB1 ALA 19 HB1 ALA 19 18.441 13.961 -11.055 668 HB2 ALA 19 HB2 ALA 19 17.140 14.195 -9.890 669 HB3 ALA 19 HB3 ALA 19 17.086 15.017 -11.447 670 H LEU 20 HN LEU 20 15.043 13.057 -13.474 671 HA LEU 20 HA LEU 20 16.585 11.810 -15.468 672 HB2 LEU 20 HB2 LEU 20 14.804 12.703 -17.013 673 HB3 LEU 20 HB1 LEU 20 14.248 11.690 -15.699 674 HG LEU 20 HG LEU 20 13.827 14.000 -14.506 675 HD11 LEU 20 HD11 LEU 20 13.680 14.767 -17.414 676 HD12 LEU 20 HD12 LEU 20 14.826 15.390 -16.228 677 HD13 LEU 20 HD13 LEU 20 13.105 15.737 -16.058 678 HD21 LEU 20 HD21 LEU 20 11.542 13.976 -15.379 679 HD22 LEU 20 HD22 LEU 20 12.121 12.354 -14.999 680 HD23 LEU 20 HD23 LEU 20 12.056 12.897 -16.675 681 HA PRO 21 HA PRO 21 19.198 15.037 -16.886 682 HB2 PRO 21 HB2 PRO 21 19.503 14.305 -19.490 683 HB3 PRO 21 HB1 PRO 21 20.281 13.457 -18.150 684 HG2 PRO 21 HG2 PRO 21 17.779 12.760 -19.637 685 HG3 PRO 21 HG1 PRO 21 19.111 11.703 -19.132 686 HD2 PRO 21 HD2 PRO 21 16.797 11.838 -17.765 687 HD3 PRO 21 HD1 PRO 21 18.355 11.581 -16.953 688 H ARG 22 HN ARG 22 19.405 16.731 -18.511 689 HA ARG 22 HA ARG 22 17.037 18.223 -18.836 690 HB2 ARG 22 HB2 ARG 22 19.805 18.534 -19.987 691 HB3 ARG 22 HB1 ARG 22 18.518 19.691 -20.290 692 HG2 ARG 22 HG2 ARG 22 18.468 20.407 -18.085 693 HG3 ARG 22 HG1 ARG 22 19.271 18.951 -17.493 694 HD2 ARG 22 HD2 ARG 22 20.598 20.980 -19.282 695 HD3 ARG 22 HD1 ARG 22 20.691 21.026 -17.521 696 HE ARG 22 HE ARG 22 21.467 18.492 -18.216 697 HH11 ARG 22 HH11 ARG 22 22.605 21.723 -19.001 698 HH12 ARG 22 HH12 ARG 22 24.254 21.226 -19.166 699 HH21 ARG 22 HH21 ARG 22 23.648 17.853 -18.440 700 HH22 ARG 22 HH22 ARG 22 24.846 19.027 -18.863 701 H ALA 23 HN ALA 23 18.522 15.837 -20.795 702 HA ALA 23 HA ALA 23 17.263 16.603 -23.252 703 HB1 ALA 23 HB1 ALA 23 19.372 15.346 -23.210 704 HB2 ALA 23 HB2 ALA 23 18.118 14.499 -24.116 705 HB3 ALA 23 HB3 ALA 23 18.531 13.976 -22.484 706 H HIS 24 HN HIS 24 16.192 15.016 -20.436 707 HA HIS 24 HA HIS 24 14.055 13.630 -21.879 708 HB2 HIS 24 HB2 HIS 24 15.318 13.282 -19.215 709 HB3 HIS 24 HB1 HIS 24 13.622 12.855 -19.375 710 HD1 HIS 24 HD1 HIS 24 13.863 10.341 -19.247 711 HD2 HIS 24 HD2 HIS 24 16.308 12.055 -22.136 712 HE1 HIS 24 HE1 HIS 24 14.820 8.419 -20.536 713 H VAL 25 HN VAL 25 14.646 16.447 -20.072 714 HA VAL 25 HA VAL 25 11.843 16.690 -19.330 715 HB VAL 25 HB VAL 25 13.759 17.326 -17.743 716 HG11 VAL 25 HG11 VAL 25 13.794 19.827 -19.416 717 HG12 VAL 25 HG12 VAL 25 15.075 18.614 -19.381 718 HG13 VAL 25 HG13 VAL 25 14.698 19.545 -17.929 719 HG21 VAL 25 HG21 VAL 25 11.431 17.874 -17.315 720 HG22 VAL 25 HG22 VAL 25 11.588 19.344 -18.280 721 HG23 VAL 25 HG23 VAL 25 12.496 19.173 -16.778 722 H LYS 26 HN LYS 26 10.512 18.309 -20.096 723 HA LYS 26 HA LYS 26 11.395 19.487 -22.632 724 HB2 LYS 26 HB2 LYS 26 9.405 17.965 -22.637 725 HB3 LYS 26 HB1 LYS 26 8.576 19.109 -21.596 726 HG2 LYS 26 HG2 LYS 26 8.492 20.748 -23.301 727 HG3 LYS 26 HG1 LYS 26 9.633 19.857 -24.310 728 HD2 LYS 26 HD2 LYS 26 7.468 19.495 -25.236 729 HD3 LYS 26 HD1 LYS 26 7.929 18.004 -24.419 730 HE2 LYS 26 HE2 LYS 26 5.668 18.388 -23.849 731 HE3 LYS 26 HE1 LYS 26 6.605 18.840 -22.429 732 HZ1 LYS 26 HZ1 LYS 26 5.669 20.794 -24.457 733 HZ2 LYS 26 HZ2 LYS 26 6.314 21.149 -22.931 734 HZ3 LYS 26 HZ3 LYS 26 4.800 20.422 -23.063 735 H GLU 27 HN GLU 27 9.953 20.210 -19.500 736 HA GLU 27 HA GLU 27 10.832 22.911 -19.559 737 HB2 GLU 27 HB2 GLU 27 8.605 23.976 -19.486 738 HB3 GLU 27 HB1 GLU 27 8.909 23.183 -21.028 739 HG2 GLU 27 HG2 GLU 27 7.628 21.222 -20.159 740 HG3 GLU 27 HG1 GLU 27 7.177 22.225 -18.779 741 H TYR 28 HN TYR 28 9.632 24.126 -17.651 742 HA TYR 28 HA TYR 28 9.189 22.258 -15.437 743 HB2 TYR 28 HB2 TYR 28 10.579 23.524 -13.949 744 HB3 TYR 28 HB1 TYR 28 11.535 23.233 -15.395 745 HD1 TYR 28 HD1 TYR 28 10.186 25.704 -13.167 746 HD2 TYR 28 HD2 TYR 28 11.765 25.138 -17.080 747 HE1 TYR 28 HE1 TYR 28 10.606 28.117 -13.341 748 HE2 TYR 28 HE2 TYR 28 12.193 27.558 -17.258 749 HH TYR 28 HH TYR 28 12.133 29.634 -14.629 750 H PHE 29 HN PHE 29 8.204 23.521 -13.511 751 HA PHE 29 HA PHE 29 6.674 25.869 -14.163 752 HB2 PHE 29 HB2 PHE 29 5.507 23.845 -15.294 753 HB3 PHE 29 HB1 PHE 29 5.092 23.343 -13.664 754 HD1 PHE 29 HD1 PHE 29 4.698 26.078 -16.121 755 HD2 PHE 29 HD2 PHE 29 3.232 24.258 -12.566 756 HE1 PHE 29 HE1 PHE 29 2.695 27.504 -16.222 757 HE2 PHE 29 HE2 PHE 29 1.229 25.682 -12.657 758 HZ PHE 29 HZ PHE 29 0.957 27.307 -14.488 759 H TYR 30 HN TYR 30 5.424 26.582 -12.259 760 HA TYR 30 HA TYR 30 6.568 25.464 -9.798 761 HB2 TYR 30 HB2 TYR 30 5.300 28.147 -10.349 762 HB3 TYR 30 HB1 TYR 30 5.773 27.606 -8.744 763 HD1 TYR 30 HD1 TYR 30 6.829 29.303 -11.669 764 HD2 TYR 30 HD2 TYR 30 8.262 26.894 -8.468 765 HE1 TYR 30 HE1 TYR 30 9.104 30.148 -12.060 766 HE2 TYR 30 HE2 TYR 30 10.540 27.734 -8.848 767 HH TYR 30 HH TYR 30 11.853 28.731 -10.732 768 H THR 31 HN THR 31 5.327 24.723 -8.132 769 HA THR 31 HA THR 31 2.758 23.739 -8.801 770 HB THR 31 HB THR 31 2.666 23.002 -6.410 771 HG1 THR 31 HG1 THR 31 4.091 23.722 -5.022 772 HG21 THR 31 HG21 THR 31 4.468 21.383 -6.623 773 HG22 THR 31 HG22 THR 31 5.226 22.368 -7.873 774 HG23 THR 31 HG23 THR 31 3.661 21.613 -8.173 775 H SER 32 HN SER 32 0.944 23.979 -7.082 776 HA SER 32 HA SER 32 -0.138 26.528 -7.340 777 HB2 SER 32 HB2 SER 32 -0.891 24.473 -5.261 778 HB3 SER 32 HB1 SER 32 -1.926 25.720 -5.959 779 HG SER 32 HG SER 32 -1.196 23.255 -6.952 780 H SER 33 HN SER 33 0.003 28.350 -6.145 781 HA SER 33 HA SER 33 1.888 28.460 -3.980 782 HB2 SER 33 HB2 SER 33 0.101 30.587 -5.168 783 HB3 SER 33 HB1 SER 33 1.350 30.887 -3.958 784 HG SER 33 HG SER 33 1.777 29.766 -6.541 785 H LYS 34 HN LYS 34 -1.136 27.367 -3.997 786 HA LYS 34 HA LYS 34 -1.948 28.563 -1.464 787 HB2 LYS 34 HB2 LYS 34 -3.379 26.681 -3.344 788 HB3 LYS 34 HB1 LYS 34 -4.037 27.210 -1.803 789 HG2 LYS 34 HG2 LYS 34 -3.308 29.029 -4.090 790 HG3 LYS 34 HG1 LYS 34 -4.940 28.481 -3.704 791 HD2 LYS 34 HD2 LYS 34 -4.762 29.564 -1.499 792 HD3 LYS 34 HD1 LYS 34 -3.144 30.128 -1.918 793 HE2 LYS 34 HE2 LYS 34 -5.638 30.823 -3.458 794 HE3 LYS 34 HE1 LYS 34 -4.937 31.842 -2.202 795 HZ1 LYS 34 HZ1 LYS 34 -3.565 31.026 -4.711 796 HZ2 LYS 34 HZ2 LYS 34 -2.931 32.047 -3.525 797 HZ3 LYS 34 HZ3 LYS 34 -4.270 32.532 -4.424 798 H CYS 35 HN CYS 35 -0.016 26.143 -2.460 799 HA CYS 35 HA CYS 35 -0.737 24.171 -0.475 800 HB2 CYS 35 HB2 CYS 35 1.658 24.376 -2.311 801 HB3 CYS 35 HB1 CYS 35 1.286 23.000 -1.282 802 H SER 36 HN SER 36 0.917 23.455 1.115 803 HA SER 36 HA SER 36 2.023 25.751 2.478 804 HB2 SER 36 HB2 SER 36 2.135 22.835 3.268 805 HB3 SER 36 HB1 SER 36 2.419 24.229 4.312 806 HG SER 36 HG SER 36 0.183 24.843 3.723 807 H ASN 37 HN ASN 37 3.107 23.936 0.013 808 HA ASN 37 HA ASN 37 5.884 24.521 0.633 809 HB2 ASN 37 HB2 ASN 37 5.750 22.231 1.361 810 HB3 ASN 37 HB1 ASN 37 4.876 21.762 -0.093 811 HD21 ASN 37 HD21 ASN 37 5.996 21.334 -1.957 812 HD22 ASN 37 HD22 ASN 37 7.721 21.308 -2.040 813 H LEU 38 HN LEU 38 7.029 25.138 -1.111 814 HA LEU 38 HA LEU 38 5.603 25.218 -3.659 815 HB2 LEU 38 HB2 LEU 38 6.466 27.344 -2.784 816 HB3 LEU 38 HB1 LEU 38 8.084 26.673 -2.735 817 HG LEU 38 HG LEU 38 8.012 26.440 -5.215 818 HD11 LEU 38 HD11 LEU 38 5.445 27.998 -4.948 819 HD12 LEU 38 HD12 LEU 38 5.606 26.340 -5.528 820 HD13 LEU 38 HD13 LEU 38 6.297 27.671 -6.456 821 HD21 LEU 38 HD21 LEU 38 8.317 28.823 -5.675 822 HD22 LEU 38 HD22 LEU 38 9.099 28.347 -4.167 823 HD23 LEU 38 HD23 LEU 38 7.565 29.217 -4.129 824 H ALA 39 HN ALA 39 6.210 23.972 -5.305 825 HA ALA 39 HA ALA 39 8.876 22.793 -5.243 826 HB1 ALA 39 HB1 ALA 39 7.993 20.613 -5.867 827 HB2 ALA 39 HB2 ALA 39 6.349 21.242 -5.774 828 HB3 ALA 39 HB3 ALA 39 7.335 21.135 -4.317 829 H VAL 40 HN VAL 40 9.218 21.596 -7.431 830 HA VAL 40 HA VAL 40 8.205 23.380 -9.536 831 HB VAL 40 HB VAL 40 10.844 21.919 -9.566 832 HG11 VAL 40 HG11 VAL 40 11.392 23.459 -11.376 833 HG12 VAL 40 HG12 VAL 40 9.771 24.149 -11.274 834 HG13 VAL 40 HG13 VAL 40 9.986 22.466 -11.762 835 HG21 VAL 40 HG21 VAL 40 10.429 24.841 -8.993 836 HG22 VAL 40 HG22 VAL 40 11.939 23.924 -8.908 837 HG23 VAL 40 HG23 VAL 40 10.658 23.628 -7.737 838 H VAL 41 HN VAL 41 7.238 22.484 -11.173 839 HA VAL 41 HA VAL 41 7.011 19.572 -11.262 840 HB VAL 41 HB VAL 41 5.332 21.717 -12.576 841 HG11 VAL 41 HG11 VAL 41 5.425 19.661 -13.903 842 HG12 VAL 41 HG12 VAL 41 3.825 19.935 -13.215 843 HG13 VAL 41 HG13 VAL 41 4.902 18.738 -12.492 844 HG21 VAL 41 HG21 VAL 41 4.737 19.898 -10.246 845 HG22 VAL 41 HG22 VAL 41 3.593 21.010 -10.997 846 HG23 VAL 41 HG23 VAL 41 5.017 21.637 -10.167 847 H PHE 42 HN PHE 42 8.161 18.538 -12.726 848 HA PHE 42 HA PHE 42 9.116 20.037 -15.059 849 HB2 PHE 42 HB2 PHE 42 10.174 17.530 -13.759 850 HB3 PHE 42 HB1 PHE 42 10.764 18.152 -15.295 851 HD1 PHE 42 HD1 PHE 42 10.936 18.385 -11.731 852 HD2 PHE 42 HD2 PHE 42 11.800 20.431 -15.355 853 HE1 PHE 42 HE1 PHE 42 12.500 19.864 -10.527 854 HE2 PHE 42 HE2 PHE 42 13.364 21.903 -14.168 855 HZ PHE 42 HZ PHE 42 13.721 21.624 -11.758 856 H VAL 43 HN VAL 43 8.317 19.628 -16.956 857 HA VAL 43 HA VAL 43 6.594 17.294 -17.285 858 HB VAL 43 HB VAL 43 6.945 19.758 -19.014 859 HG11 VAL 43 HG11 VAL 43 5.037 18.938 -20.305 860 HG12 VAL 43 HG12 VAL 43 5.018 17.457 -19.344 861 HG13 VAL 43 HG13 VAL 43 6.395 17.816 -20.387 862 HG21 VAL 43 HG21 VAL 43 5.780 20.198 -16.918 863 HG22 VAL 43 HG22 VAL 43 4.658 18.878 -17.250 864 HG23 VAL 43 HG23 VAL 43 4.669 20.308 -18.283 865 H THR 44 HN THR 44 7.431 15.559 -18.168 866 HA THR 44 HA THR 44 10.028 15.591 -19.374 867 HB THR 44 HB THR 44 9.750 13.176 -19.590 868 HG1 THR 44 HG1 THR 44 7.618 12.396 -18.649 869 HG21 THR 44 HG21 THR 44 9.405 12.614 -17.251 870 HG22 THR 44 HG22 THR 44 8.592 14.156 -16.983 871 HG23 THR 44 HG23 THR 44 10.312 14.124 -17.375 872 H ARG 45 HN ARG 45 10.291 14.189 -21.450 873 HA ARG 45 HA ARG 45 8.955 15.519 -23.585 874 HB2 ARG 45 HB2 ARG 45 10.687 13.036 -23.618 875 HB3 ARG 45 HB1 ARG 45 10.185 13.929 -25.042 876 HG2 ARG 45 HG2 ARG 45 11.917 15.006 -22.823 877 HG3 ARG 45 HG1 ARG 45 12.488 14.440 -24.393 878 HD2 ARG 45 HD2 ARG 45 10.663 16.786 -23.868 879 HD3 ARG 45 HD1 ARG 45 12.343 16.853 -24.395 880 HE ARG 45 HE ARG 45 10.232 15.627 -26.045 881 HH11 ARG 45 HH11 ARG 45 12.908 17.880 -25.698 882 HH12 ARG 45 HH12 ARG 45 12.962 18.259 -27.381 883 HH21 ARG 45 HH21 ARG 45 10.322 16.131 -28.272 884 HH22 ARG 45 HH22 ARG 45 11.498 17.263 -28.847 885 H ARG 46 HN ARG 46 7.991 13.119 -21.567 886 HA ARG 46 HA ARG 46 6.300 11.714 -23.494 887 HB2 ARG 46 HB2 ARG 46 6.820 11.277 -20.560 888 HB3 ARG 46 HB1 ARG 46 5.740 10.295 -21.534 889 HG2 ARG 46 HG2 ARG 46 7.623 9.631 -22.937 890 HG3 ARG 46 HG1 ARG 46 8.701 10.608 -21.934 891 HD2 ARG 46 HD2 ARG 46 8.785 8.269 -21.276 892 HD3 ARG 46 HD1 ARG 46 8.104 9.275 -19.994 893 HE ARG 46 HE ARG 46 5.997 8.302 -21.544 894 HH11 ARG 46 HH11 ARG 46 8.431 7.083 -19.338 895 HH12 ARG 46 HH12 ARG 46 7.482 5.735 -18.822 896 HH21 ARG 46 HH21 ARG 46 4.721 6.536 -20.852 897 HH22 ARG 46 HH22 ARG 46 5.361 5.419 -19.697 898 H ASN 47 HN ASN 47 6.162 14.529 -22.005 899 HA ASN 47 HA ASN 47 4.535 15.989 -21.434 900 HB2 ASN 47 HB2 ASN 47 2.710 13.825 -22.493 901 HB3 ASN 47 HB1 ASN 47 2.141 15.405 -21.965 902 HD21 ASN 47 HD21 ASN 47 3.854 13.634 -24.390 903 HD22 ASN 47 HD22 ASN 47 3.921 14.901 -25.561 904 H ARG 48 HN ARG 48 5.476 13.673 -19.667 905 HA ARG 48 HA ARG 48 3.222 13.592 -17.804 906 HB2 ARG 48 HB2 ARG 48 4.589 11.513 -18.392 907 HB3 ARG 48 HB1 ARG 48 5.889 12.235 -17.450 908 HG2 ARG 48 HG2 ARG 48 4.035 12.430 -15.613 909 HG3 ARG 48 HG1 ARG 48 3.275 11.141 -16.544 910 HD2 ARG 48 HD2 ARG 48 5.351 9.827 -16.357 911 HD3 ARG 48 HD1 ARG 48 6.046 11.104 -15.360 912 HE ARG 48 HE ARG 48 4.378 9.028 -14.477 913 HH11 ARG 48 HH11 ARG 48 4.829 12.480 -13.978 914 HH12 ARG 48 HH12 ARG 48 4.115 12.478 -12.411 915 HH21 ARG 48 HH21 ARG 48 3.464 9.040 -12.377 916 HH22 ARG 48 HH22 ARG 48 3.349 10.527 -11.480 917 H GLN 49 HN GLN 49 3.188 14.788 -16.006 918 HA GLN 49 HA GLN 49 5.464 16.545 -15.557 919 HB2 GLN 49 HB2 GLN 49 3.846 17.753 -14.046 920 HB3 GLN 49 HB1 GLN 49 3.481 17.775 -15.762 921 HG2 GLN 49 HG2 GLN 49 1.770 16.138 -15.491 922 HG3 GLN 49 HG1 GLN 49 2.218 15.873 -13.805 923 HE21 GLN 49 HE21 GLN 49 2.659 18.672 -13.285 924 HE22 GLN 49 HE22 GLN 49 1.097 19.414 -13.201 925 H VAL 50 HN VAL 50 6.792 16.318 -13.947 926 HA VAL 50 HA VAL 50 6.090 14.506 -11.726 927 HB VAL 50 HB VAL 50 7.988 13.838 -13.293 928 HG11 VAL 50 HG11 VAL 50 9.378 16.145 -11.984 929 HG12 VAL 50 HG12 VAL 50 8.891 16.024 -13.674 930 HG13 VAL 50 HG13 VAL 50 10.131 14.938 -13.034 931 HG21 VAL 50 HG21 VAL 50 8.669 14.228 -10.383 932 HG22 VAL 50 HG22 VAL 50 9.488 13.121 -11.486 933 HG23 VAL 50 HG23 VAL 50 7.793 12.863 -11.074 934 H CYS 51 HN CYS 51 7.235 15.120 -9.628 935 HA CYS 51 HA CYS 51 7.441 18.046 -9.412 936 HB2 CYS 51 HB2 CYS 51 6.346 16.057 -7.430 937 HB3 CYS 51 HB1 CYS 51 6.702 17.733 -7.040 938 H ALA 52 HN ALA 52 9.010 18.898 -8.111 939 HA ALA 52 HA ALA 52 10.704 17.229 -6.500 940 HB1 ALA 52 HB1 ALA 52 11.865 18.664 -8.891 941 HB2 ALA 52 HB2 ALA 52 11.735 16.914 -8.694 942 HB3 ALA 52 HB3 ALA 52 12.789 17.847 -7.629 943 H ASN 53 HN ASN 53 11.875 18.419 -5.010 944 HA ASN 53 HA ASN 53 10.820 21.056 -4.538 945 HB2 ASN 53 HB2 ASN 53 12.875 19.465 -2.991 946 HB3 ASN 53 HB1 ASN 53 12.193 20.999 -2.466 947 HD21 ASN 53 HD21 ASN 53 10.015 21.064 -1.799 948 HD22 ASN 53 HD22 ASN 53 9.175 19.624 -1.355 949 HA PRO 54 HA PRO 54 14.024 23.257 -6.702 950 HB2 PRO 54 HB2 PRO 54 13.545 25.715 -5.676 951 HB3 PRO 54 HB1 PRO 54 12.470 24.957 -6.860 952 HG2 PRO 54 HG2 PRO 54 12.223 25.040 -3.872 953 HG3 PRO 54 HG1 PRO 54 10.988 25.407 -5.097 954 HD2 PRO 54 HD2 PRO 54 11.048 23.034 -3.872 955 HD3 PRO 54 HD1 PRO 54 10.658 23.165 -5.602 956 H GLU 55 HN GLU 55 14.074 22.457 -3.519 957 HA GLU 55 HA GLU 55 16.098 24.216 -2.553 958 HB2 GLU 55 HB2 GLU 55 15.299 21.510 -1.482 959 HB3 GLU 55 HB1 GLU 55 16.141 22.783 -0.613 960 HG2 GLU 55 HG2 GLU 55 14.173 24.187 -0.705 961 HG3 GLU 55 HG1 GLU 55 13.326 22.968 -1.656 962 H LYS 56 HN LYS 56 16.072 21.494 -4.569 963 HA LYS 56 HA LYS 56 18.774 20.679 -3.872 964 HB2 LYS 56 HB2 LYS 56 16.756 19.516 -5.782 965 HB3 LYS 56 HB1 LYS 56 18.391 18.896 -5.605 966 HG2 LYS 56 HG2 LYS 56 16.299 19.013 -3.431 967 HG3 LYS 56 HG1 LYS 56 16.807 17.570 -4.312 968 HD2 LYS 56 HD2 LYS 56 19.108 17.900 -3.435 969 HD3 LYS 56 HD1 LYS 56 18.520 19.264 -2.485 970 HE2 LYS 56 HE2 LYS 56 17.502 16.434 -2.250 971 HE3 LYS 56 HE1 LYS 56 18.707 17.156 -1.188 972 HZ1 LYS 56 HZ1 LYS 56 17.087 18.735 -0.427 973 HZ2 LYS 56 HZ2 LYS 56 16.445 17.190 -0.261 974 HZ3 LYS 56 HZ3 LYS 56 15.933 18.181 -1.524 975 H LYS 57 HN LYS 57 20.515 20.796 -5.155 976 HA LYS 57 HA LYS 57 20.877 23.057 -6.718 977 HB2 LYS 57 HB2 LYS 57 22.686 21.896 -5.568 978 HB3 LYS 57 HB1 LYS 57 22.503 20.516 -6.638 979 HG2 LYS 57 HG2 LYS 57 23.212 21.864 -8.528 980 HG3 LYS 57 HG1 LYS 57 23.339 23.277 -7.482 981 HD2 LYS 57 HD2 LYS 57 25.039 22.085 -6.139 982 HD3 LYS 57 HD1 LYS 57 24.948 20.736 -7.273 983 HE2 LYS 57 HE2 LYS 57 26.849 22.144 -7.802 984 HE3 LYS 57 HE1 LYS 57 25.646 22.237 -9.088 985 HZ1 LYS 57 HZ1 LYS 57 26.047 24.241 -6.937 986 HZ2 LYS 57 HZ2 LYS 57 24.879 24.341 -8.146 987 HZ3 LYS 57 HZ3 LYS 57 26.516 24.417 -8.545 988 H TRP 58 HN TRP 58 20.238 19.728 -7.740 989 HA TRP 58 HA TRP 58 20.744 20.083 -10.474 990 HB2 TRP 58 HB2 TRP 58 18.795 18.165 -9.176 991 HB3 TRP 58 HB1 TRP 58 19.472 18.022 -10.795 992 HD1 TRP 58 HD1 TRP 58 20.292 17.396 -7.144 993 HE1 TRP 58 HE1 TRP 58 22.513 16.114 -6.981 994 HE3 TRP 58 HE3 TRP 58 21.758 17.705 -12.032 995 HZ2 TRP 58 HZ2 TRP 58 24.613 15.333 -8.703 996 HZ3 TRP 58 HZ3 TRP 58 23.887 16.663 -12.691 997 HH2 TRP 58 HH2 TRP 58 25.284 15.503 -11.060 998 H VAL 59 HN VAL 59 17.924 20.614 -8.501 999 HA VAL 59 HA VAL 59 16.105 21.008 -10.642 1000 HB VAL 59 HB VAL 59 15.921 22.035 -7.795 1001 HG11 VAL 59 HG11 VAL 59 14.373 23.155 -9.315 1002 HG12 VAL 59 HG12 VAL 59 13.509 22.098 -8.196 1003 HG13 VAL 59 HG13 VAL 59 13.773 21.590 -9.860 1004 HG21 VAL 59 HG21 VAL 59 16.217 19.612 -7.862 1005 HG22 VAL 59 HG22 VAL 59 14.870 19.470 -8.991 1006 HG23 VAL 59 HG23 VAL 59 14.586 20.036 -7.344 1007 H GLN 60 HN GLN 60 18.157 23.096 -8.716 1008 HA GLN 60 HA GLN 60 17.206 25.554 -9.735 1009 HB2 GLN 60 HB2 GLN 60 19.908 24.850 -8.577 1010 HB3 GLN 60 HB1 GLN 60 19.317 26.484 -8.846 1011 HG2 GLN 60 HG2 GLN 60 18.001 24.478 -7.039 1012 HG3 GLN 60 HG1 GLN 60 19.138 25.707 -6.498 1013 HE21 GLN 60 HE21 GLN 60 15.961 25.085 -7.718 1014 HE22 GLN 60 HE22 GLN 60 15.291 26.631 -7.344 1015 H GLU 61 HN GLU 61 19.880 23.427 -10.641 1016 HA GLU 61 HA GLU 61 20.857 25.093 -12.696 1017 HB2 GLU 61 HB2 GLU 61 21.134 22.157 -12.142 1018 HB3 GLU 61 HB1 GLU 61 21.931 22.949 -13.497 1019 HG2 GLU 61 HG2 GLU 61 22.252 23.771 -10.634 1020 HG3 GLU 61 HG1 GLU 61 23.341 22.683 -11.483 1021 H TYR 62 HN TYR 62 18.527 22.458 -12.643 1022 HA TYR 62 HA TYR 62 18.229 22.413 -15.469 1023 HB2 TYR 62 HB2 TYR 62 16.662 21.218 -13.208 1024 HB3 TYR 62 HB1 TYR 62 16.021 21.182 -14.849 1025 HD1 TYR 62 HD1 TYR 62 19.548 20.787 -13.690 1026 HD2 TYR 62 HD2 TYR 62 16.172 18.935 -15.496 1027 HE1 TYR 62 HE1 TYR 62 20.911 18.804 -14.179 1028 HE2 TYR 62 HE2 TYR 62 17.530 16.945 -15.987 1029 HH TYR 62 HH TYR 62 20.513 16.352 -14.588 1030 H ILE 63 HN ILE 63 16.569 24.089 -12.863 1031 HA ILE 63 HA ILE 63 14.541 25.243 -14.462 1032 HB ILE 63 HB ILE 63 15.822 26.085 -11.869 1033 HG12 ILE 63 HG12 ILE 63 13.004 25.253 -12.577 1034 HG13 ILE 63 HG11 ILE 63 14.223 24.214 -11.845 1035 HG21 ILE 63 HG21 ILE 63 13.663 27.599 -13.334 1036 HG22 ILE 63 HG22 ILE 63 15.315 28.144 -13.043 1037 HG23 ILE 63 HG23 ILE 63 14.210 27.919 -11.686 1038 HD11 ILE 63 HD11 ILE 63 12.580 25.096 -10.240 1039 HD12 ILE 63 HD12 ILE 63 13.147 26.727 -10.594 1040 HD13 ILE 63 HD13 ILE 63 14.238 25.554 -9.857 1041 H ASN 64 HN ASN 64 17.737 26.398 -13.498 1042 HA ASN 64 HA ASN 64 17.610 28.861 -14.836 1043 HB2 ASN 64 HB2 ASN 64 19.409 29.105 -13.521 1044 HB3 ASN 64 HB1 ASN 64 19.537 27.368 -13.289 1045 HD21 ASN 64 HD21 ASN 64 20.853 26.185 -14.648 1046 HD22 ASN 64 HD22 ASN 64 22.111 26.923 -15.580 1047 H TYR 65 HN TYR 65 18.495 25.656 -15.876 1048 HA TYR 65 HA TYR 65 19.570 26.536 -18.384 1049 HB2 TYR 65 HB2 TYR 65 20.343 24.430 -17.415 1050 HB3 TYR 65 HB1 TYR 65 18.705 23.786 -17.488 1051 HD1 TYR 65 HD1 TYR 65 21.535 24.949 -19.582 1052 HD2 TYR 65 HD2 TYR 65 17.883 22.771 -19.455 1053 HE1 TYR 65 HE1 TYR 65 21.961 24.110 -21.854 1054 HE2 TYR 65 HE2 TYR 65 18.300 21.927 -21.724 1055 HH TYR 65 HH TYR 65 19.563 22.535 -23.700 1056 H LEU 66 HN LEU 66 16.490 25.162 -17.301 1057 HA LEU 66 HA LEU 66 15.422 25.047 -19.947 1058 HB2 LEU 66 HB2 LEU 66 14.094 24.820 -17.256 1059 HB3 LEU 66 HB1 LEU 66 13.231 24.661 -18.772 1060 HG LEU 66 HG LEU 66 15.473 22.882 -17.836 1061 HD11 LEU 66 HD11 LEU 66 12.497 22.427 -17.965 1062 HD12 LEU 66 HD12 LEU 66 13.463 22.611 -16.501 1063 HD13 LEU 66 HD13 LEU 66 13.706 21.215 -17.548 1064 HD21 LEU 66 HD21 LEU 66 13.645 22.670 -20.231 1065 HD22 LEU 66 HD22 LEU 66 14.853 21.484 -19.737 1066 HD23 LEU 66 HD23 LEU 66 15.359 23.080 -20.277 1067 H GLU 67 HN GLU 67 15.545 27.524 -17.518 1068 HA GLU 67 HA GLU 67 13.429 29.080 -18.639 1069 HB2 GLU 67 HB2 GLU 67 14.136 30.854 -17.160 1070 HB3 GLU 67 HB1 GLU 67 14.225 29.333 -16.280 1071 HG2 GLU 67 HG2 GLU 67 16.584 29.273 -16.461 1072 HG3 GLU 67 HG1 GLU 67 16.589 30.629 -17.584 1073 H MET 68 HN MET 68 16.800 28.665 -19.320 1074 HA MET 68 HA MET 68 16.784 30.992 -21.088 1075 HB2 MET 68 HB2 MET 68 19.212 30.639 -21.319 1076 HB3 MET 68 HB1 MET 68 18.724 30.846 -19.646 1077 HG2 MET 68 HG2 MET 68 18.882 28.428 -19.302 1078 HG3 MET 68 HG1 MET 68 19.358 28.233 -20.990 1079 HE1 MET 68 HE1 MET 68 21.641 29.067 -21.999 1080 HE2 MET 68 HE2 MET 68 22.855 29.968 -21.091 1081 HE3 MET 68 HE3 MET 68 21.304 30.716 -21.469 1082 H SER 69 HN SER 69 17.107 27.490 -21.183 1083 HA SER 69 HA SER 69 17.299 26.012 -22.899 1084 HB2 SER 69 HB2 SER 69 14.985 27.754 -23.721 1085 HB3 SER 69 HB1 SER 69 15.366 26.215 -24.495 1086 HG SER 69 HG SER 69 14.370 26.733 -21.928 Start of MODEL 7 1 H1 MET 1 HT1 MET 1 2.348 1.930 -14.645 2 HA MET 1 HA MET 1 3.183 1.953 -12.386 3 HB2 MET 1 HB2 MET 1 3.526 -0.031 -13.744 4 HB3 MET 1 HB1 MET 1 4.963 0.672 -14.469 5 HG2 MET 1 HG2 MET 1 5.540 -0.997 -12.802 6 HG3 MET 1 HG1 MET 1 6.103 0.603 -12.322 7 HE1 MET 1 HE1 MET 1 5.248 -1.079 -8.888 8 HE2 MET 1 HE2 MET 1 6.486 -0.264 -9.843 9 HE3 MET 1 HE3 MET 1 5.928 -1.870 -10.309 10 H SER 2 HN SER 2 4.038 3.553 -11.218 11 HA SER 2 HA SER 2 6.695 4.531 -11.984 12 HB2 SER 2 HB2 SER 2 6.163 6.533 -10.585 13 HB3 SER 2 HB1 SER 2 5.064 6.333 -11.948 14 HG SER 2 HG SER 2 4.118 5.017 -9.796 15 HA PRO 3 HA PRO 3 8.239 2.266 -8.484 16 HB2 PRO 3 HB2 PRO 3 10.641 3.589 -8.261 17 HB3 PRO 3 HB1 PRO 3 10.327 2.304 -9.431 18 HG2 PRO 3 HG2 PRO 3 10.279 5.269 -9.816 19 HG3 PRO 3 HG1 PRO 3 10.925 4.010 -10.884 20 HD2 PRO 3 HD2 PRO 3 8.551 5.178 -11.339 21 HD3 PRO 3 HD1 PRO 3 8.837 3.466 -11.712 22 H TYR 4 HN TYR 4 8.373 5.788 -8.558 23 HA TYR 4 HA TYR 4 7.842 5.803 -5.669 24 HB2 TYR 4 HB2 TYR 4 9.616 7.707 -7.209 25 HB3 TYR 4 HB1 TYR 4 9.102 7.964 -5.546 26 HD1 TYR 4 HD1 TYR 4 11.661 6.687 -7.577 27 HD2 TYR 4 HD2 TYR 4 9.613 5.932 -3.927 28 HE1 TYR 4 HE1 TYR 4 13.573 5.359 -6.784 29 HE2 TYR 4 HE2 TYR 4 11.515 4.607 -3.125 30 HH TYR 4 HH TYR 4 14.546 4.642 -4.623 31 H GLY 5 HN GLY 5 7.768 7.951 -8.514 32 HA2 GLY 5 HA2 GLY 5 5.575 8.648 -9.338 33 HA3 GLY 5 HA1 GLY 5 5.064 8.745 -7.657 34 H SER 6 HN SER 6 4.944 10.708 -6.891 35 HA SER 6 HA SER 6 5.219 12.925 -6.560 36 HB2 SER 6 HB2 SER 6 8.113 12.397 -7.273 37 HB3 SER 6 HB1 SER 6 7.488 13.726 -6.297 38 HG SER 6 HG SER 6 6.621 11.407 -5.282 39 H ASP 7 HN ASP 7 3.903 13.387 -8.435 40 HA ASP 7 HA ASP 7 5.411 14.926 -10.401 41 HB2 ASP 7 HB2 ASP 7 4.337 13.989 -12.306 42 HB3 ASP 7 HB1 ASP 7 5.008 12.663 -11.370 43 H THR 8 HN THR 8 2.268 14.127 -9.002 44 HA THR 8 HA THR 8 1.568 16.910 -8.967 45 HB THR 8 HB THR 8 -0.785 16.265 -9.957 46 HG1 THR 8 HG1 THR 8 0.917 14.519 -11.463 47 HG21 THR 8 HG21 THR 8 -0.085 17.098 -12.167 48 HG22 THR 8 HG22 THR 8 1.603 16.874 -11.701 49 HG23 THR 8 HG23 THR 8 0.594 18.041 -10.839 50 H THR 9 HN THR 9 0.575 17.331 -7.137 51 HA THR 9 HA THR 9 -0.909 15.172 -5.812 52 HB THR 9 HB THR 9 0.381 17.643 -4.621 53 HG1 THR 9 HG1 THR 9 1.854 15.965 -5.239 54 HG21 THR 9 HG21 THR 9 -0.897 15.318 -3.178 55 HG22 THR 9 HG22 THR 9 -1.715 16.848 -3.489 56 HG23 THR 9 HG23 THR 9 -0.273 16.816 -2.477 57 HA PRO 10 HA PRO 10 -4.308 17.955 -6.866 58 HB2 PRO 10 HB2 PRO 10 -6.289 16.193 -6.291 59 HB3 PRO 10 HB1 PRO 10 -5.396 16.170 -7.817 60 HG2 PRO 10 HG2 PRO 10 -5.105 14.426 -5.417 61 HG3 PRO 10 HG1 PRO 10 -4.947 14.011 -7.131 62 HD2 PRO 10 HD2 PRO 10 -2.826 14.435 -5.427 63 HD3 PRO 10 HD1 PRO 10 -2.745 14.616 -7.189 64 H CYS 11 HN CYS 11 -4.461 19.476 -5.337 65 HA CYS 11 HA CYS 11 -5.781 18.736 -2.831 66 HB2 CYS 11 HB2 CYS 11 -3.252 18.983 -2.556 67 HB3 CYS 11 HB1 CYS 11 -3.476 20.688 -2.925 68 H CYS 12 HN CYS 12 -6.431 20.864 -1.669 69 HA CYS 12 HA CYS 12 -6.849 23.245 -3.113 70 HB2 CYS 12 HB2 CYS 12 -8.982 21.179 -3.303 71 HB3 CYS 12 HB1 CYS 12 -9.486 22.839 -3.026 72 H PHE 13 HN PHE 13 -8.248 24.755 -1.939 73 HA PHE 13 HA PHE 13 -9.166 24.009 0.678 74 HB2 PHE 13 HB2 PHE 13 -7.818 25.874 1.787 75 HB3 PHE 13 HB1 PHE 13 -6.925 24.425 1.355 76 HD1 PHE 13 HD1 PHE 13 -7.289 27.993 0.841 77 HD2 PHE 13 HD2 PHE 13 -5.396 24.466 -0.605 78 HE1 PHE 13 HE1 PHE 13 -5.667 29.371 -0.388 79 HE2 PHE 13 HE2 PHE 13 -3.773 25.840 -1.837 80 HZ PHE 13 HZ PHE 13 -3.907 28.295 -1.729 81 H ALA 14 HN ALA 14 -10.980 24.610 -0.897 82 HA ALA 14 HA ALA 14 -11.816 27.297 -0.252 83 HB1 ALA 14 HB1 ALA 14 -10.601 27.632 -2.357 84 HB2 ALA 14 HB2 ALA 14 -12.330 27.898 -2.572 85 HB3 ALA 14 HB3 ALA 14 -11.593 26.397 -3.131 86 H TYR 15 HN TYR 15 -14.111 27.617 -1.107 87 HA TYR 15 HA TYR 15 -15.554 25.175 -1.639 88 HB2 TYR 15 HB2 TYR 15 -17.081 25.387 0.255 89 HB3 TYR 15 HB1 TYR 15 -15.431 25.192 0.830 90 HD1 TYR 15 HD1 TYR 15 -18.210 27.582 0.420 91 HD2 TYR 15 HD2 TYR 15 -14.360 26.924 2.109 92 HE1 TYR 15 HE1 TYR 15 -18.475 29.600 1.786 93 HE2 TYR 15 HE2 TYR 15 -14.617 28.948 3.484 94 HH TYR 15 HH TYR 15 -17.593 30.519 3.884 95 H LEU 16 HN LEU 16 -17.807 25.589 -2.138 96 HA LEU 16 HA LEU 16 -18.368 28.376 -2.893 97 HB2 LEU 16 HB2 LEU 16 -17.785 26.407 -4.695 98 HB3 LEU 16 HB1 LEU 16 -19.517 26.216 -4.556 99 HG LEU 16 HG LEU 16 -18.134 28.788 -5.330 100 HD11 LEU 16 HD11 LEU 16 -19.519 26.715 -7.020 101 HD12 LEU 16 HD12 LEU 16 -17.799 27.125 -7.046 102 HD13 LEU 16 HD13 LEU 16 -18.995 28.301 -7.587 103 HD21 LEU 16 HD21 LEU 16 -21.046 28.005 -5.412 104 HD22 LEU 16 HD22 LEU 16 -20.364 29.527 -5.987 105 HD23 LEU 16 HD23 LEU 16 -20.313 29.130 -4.269 106 H SER 17 HN SER 17 -20.222 29.080 -2.099 107 HA SER 17 HA SER 17 -21.756 27.466 -0.367 108 HB2 SER 17 HB2 SER 17 -22.345 30.175 -1.543 109 HB3 SER 17 HB1 SER 17 -23.222 29.447 -0.193 110 HG SER 17 HG SER 17 -20.701 30.602 -0.282 111 H LEU 18 HN LEU 18 -22.102 28.332 -3.727 112 HA LEU 18 HA LEU 18 -24.739 27.098 -3.829 113 HB2 LEU 18 HB2 LEU 18 -23.165 28.658 -5.874 114 HB3 LEU 18 HB1 LEU 18 -24.639 27.805 -6.273 115 HG LEU 18 HG LEU 18 -25.814 29.233 -4.550 116 HD11 LEU 18 HD11 LEU 18 -24.746 31.341 -3.924 117 HD12 LEU 18 HD12 LEU 18 -23.244 30.797 -4.671 118 HD13 LEU 18 HD13 LEU 18 -23.886 29.949 -3.265 119 HD21 LEU 18 HD21 LEU 18 -24.527 30.607 -6.898 120 HD22 LEU 18 HD22 LEU 18 -25.954 31.174 -6.033 121 HD23 LEU 18 HD23 LEU 18 -26.011 29.655 -6.928 122 H ALA 19 HN ALA 19 -24.027 25.002 -3.391 123 HA ALA 19 HA ALA 19 -22.191 23.717 -5.211 124 HB1 ALA 19 HB1 ALA 19 -23.815 22.557 -2.946 125 HB2 ALA 19 HB2 ALA 19 -22.161 23.156 -2.823 126 HB3 ALA 19 HB3 ALA 19 -22.515 21.743 -3.818 127 H LEU 20 HN LEU 20 -22.706 22.403 -6.847 128 HA LEU 20 HA LEU 20 -25.220 22.486 -8.042 129 HB2 LEU 20 HB2 LEU 20 -24.331 20.540 -9.430 130 HB3 LEU 20 HB1 LEU 20 -23.424 22.035 -9.470 131 HG LEU 20 HG LEU 20 -21.951 20.905 -7.642 132 HD11 LEU 20 HD11 LEU 20 -21.799 18.481 -7.847 133 HD12 LEU 20 HD12 LEU 20 -23.199 18.480 -8.919 134 HD13 LEU 20 HD13 LEU 20 -23.376 18.981 -7.237 135 HD21 LEU 20 HD21 LEU 20 -21.185 21.496 -9.870 136 HD22 LEU 20 HD22 LEU 20 -21.882 20.011 -10.517 137 HD23 LEU 20 HD23 LEU 20 -20.538 19.932 -9.378 138 HA PRO 21 HA PRO 21 -27.779 19.674 -5.887 139 HB2 PRO 21 HB2 PRO 21 -29.181 18.540 -7.976 140 HB3 PRO 21 HB1 PRO 21 -29.533 20.118 -7.268 141 HG2 PRO 21 HG2 PRO 21 -27.996 19.451 -9.740 142 HG3 PRO 21 HG1 PRO 21 -29.147 20.769 -9.454 143 HD2 PRO 21 HD2 PRO 21 -26.496 21.184 -9.449 144 HD3 PRO 21 HD1 PRO 21 -27.577 22.066 -8.354 145 H ARG 22 HN ARG 22 -28.310 17.459 -5.536 146 HA ARG 22 HA ARG 22 -26.114 15.725 -5.646 147 HB2 ARG 22 HB2 ARG 22 -29.016 15.045 -5.187 148 HB3 ARG 22 HB1 ARG 22 -27.648 14.022 -4.773 149 HG2 ARG 22 HG2 ARG 22 -26.887 15.648 -3.153 150 HG3 ARG 22 HG1 ARG 22 -28.184 16.749 -3.619 151 HD2 ARG 22 HD2 ARG 22 -28.495 14.029 -2.364 152 HD3 ARG 22 HD1 ARG 22 -28.751 15.582 -1.572 153 HE ARG 22 HE ARG 22 -30.412 14.546 -3.783 154 HH11 ARG 22 HH11 ARG 22 -30.056 16.432 -0.837 155 HH12 ARG 22 HH12 ARG 22 -31.738 16.800 -0.718 156 HH21 ARG 22 HH21 ARG 22 -32.653 15.053 -3.621 157 HH22 ARG 22 HH22 ARG 22 -33.211 16.019 -2.298 158 H ALA 23 HN ALA 23 -28.709 16.210 -7.874 159 HA ALA 23 HA ALA 23 -28.391 13.725 -9.255 160 HB1 ALA 23 HB1 ALA 23 -30.511 14.944 -9.284 161 HB2 ALA 23 HB2 ALA 23 -29.894 14.691 -10.917 162 HB3 ALA 23 HB3 ALA 23 -29.735 16.271 -10.148 163 H HIS 24 HN HIS 24 -26.688 16.691 -9.250 164 HA HIS 24 HA HIS 24 -25.659 16.310 -11.942 165 HB2 HIS 24 HB2 HIS 24 -25.461 18.520 -9.926 166 HB3 HIS 24 HB1 HIS 24 -24.388 18.463 -11.316 167 HD1 HIS 24 HD1 HIS 24 -25.393 20.582 -12.380 168 HD2 HIS 24 HD2 HIS 24 -28.172 17.564 -11.729 169 HE1 HIS 24 HE1 HIS 24 -27.464 21.304 -13.593 170 H VAL 25 HN VAL 25 -24.800 15.674 -8.678 171 HA VAL 25 HA VAL 25 -21.992 15.335 -9.381 172 HB VAL 25 HB VAL 25 -22.828 16.358 -7.135 173 HG11 VAL 25 HG11 VAL 25 -23.030 13.441 -6.430 174 HG12 VAL 25 HG12 VAL 25 -24.398 14.548 -6.579 175 HG13 VAL 25 HG13 VAL 25 -23.188 14.798 -5.317 176 HG21 VAL 25 HG21 VAL 25 -20.877 15.493 -5.945 177 HG22 VAL 25 HG22 VAL 25 -20.494 15.884 -7.622 178 HG23 VAL 25 HG23 VAL 25 -20.721 14.203 -7.137 179 H LYS 26 HN LYS 26 -20.920 13.287 -8.986 180 HA LYS 26 HA LYS 26 -22.769 11.022 -9.330 181 HB2 LYS 26 HB2 LYS 26 -21.385 11.599 -11.326 182 HB3 LYS 26 HB1 LYS 26 -19.945 11.271 -10.378 183 HG2 LYS 26 HG2 LYS 26 -20.427 8.965 -10.254 184 HG3 LYS 26 HG1 LYS 26 -22.079 9.205 -10.829 185 HD2 LYS 26 HD2 LYS 26 -20.795 8.318 -12.646 186 HD3 LYS 26 HD1 LYS 26 -21.130 10.011 -12.997 187 HE2 LYS 26 HE2 LYS 26 -18.863 9.655 -13.573 188 HE3 LYS 26 HE1 LYS 26 -18.843 10.531 -12.046 189 HZ1 LYS 26 HZ1 LYS 26 -18.622 7.579 -12.213 190 HZ2 LYS 26 HZ2 LYS 26 -18.276 8.557 -10.871 191 HZ3 LYS 26 HZ3 LYS 26 -17.279 8.595 -12.227 192 H GLU 27 HN GLU 27 -19.712 12.085 -7.898 193 HA GLU 27 HA GLU 27 -20.077 10.307 -5.677 194 HB2 GLU 27 HB2 GLU 27 -17.964 9.079 -5.981 195 HB3 GLU 27 HB1 GLU 27 -19.070 8.774 -7.316 196 HG2 GLU 27 HG2 GLU 27 -17.864 10.519 -8.603 197 HG3 GLU 27 HG1 GLU 27 -16.669 10.569 -7.307 198 H TYR 28 HN TYR 28 -17.930 10.442 -4.281 199 HA TYR 28 HA TYR 28 -16.797 13.134 -4.458 200 HB2 TYR 28 HB2 TYR 28 -17.097 13.538 -2.100 201 HB3 TYR 28 HB1 TYR 28 -18.661 13.104 -2.774 202 HD1 TYR 28 HD1 TYR 28 -16.169 12.335 -0.303 203 HD2 TYR 28 HD2 TYR 28 -19.515 10.732 -2.385 204 HE1 TYR 28 HE1 TYR 28 -16.413 10.607 1.430 205 HE2 TYR 28 HE2 TYR 28 -19.769 8.998 -0.655 206 HH TYR 28 HH TYR 28 -18.398 7.871 1.045 207 H PHE 29 HN PHE 29 -14.792 13.347 -3.143 208 HA PHE 29 HA PHE 29 -13.433 10.890 -2.450 209 HB2 PHE 29 HB2 PHE 29 -13.189 10.998 -4.927 210 HB3 PHE 29 HB1 PHE 29 -12.460 12.588 -4.771 211 HD1 PHE 29 HD1 PHE 29 -11.937 9.263 -3.133 212 HD2 PHE 29 HD2 PHE 29 -10.214 12.562 -5.198 213 HE1 PHE 29 HE1 PHE 29 -9.722 8.206 -2.965 214 HE2 PHE 29 HE2 PHE 29 -7.995 11.512 -5.031 215 HZ PHE 29 HZ PHE 29 -7.748 9.332 -3.913 216 H TYR 30 HN TYR 30 -11.308 11.367 -1.485 217 HA TYR 30 HA TYR 30 -11.304 14.075 -0.357 218 HB2 TYR 30 HB2 TYR 30 -10.146 11.503 0.729 219 HB3 TYR 30 HB1 TYR 30 -9.944 13.080 1.483 220 HD1 TYR 30 HD1 TYR 30 -12.295 10.359 0.785 221 HD2 TYR 30 HD2 TYR 30 -11.796 14.161 2.621 222 HE1 TYR 30 HE1 TYR 30 -14.407 10.042 1.997 223 HE2 TYR 30 HE2 TYR 30 -13.907 13.857 3.839 224 HH TYR 30 HH TYR 30 -15.525 10.842 3.980 225 H THR 31 HN THR 31 -9.337 15.196 -0.134 226 HA THR 31 HA THR 31 -7.627 14.970 -2.353 227 HB THR 31 HB THR 31 -6.219 16.664 -1.012 228 HG1 THR 31 HG1 THR 31 -6.843 17.001 0.969 229 HG21 THR 31 HG21 THR 31 -9.115 17.340 -1.570 230 HG22 THR 31 HG22 THR 31 -7.862 17.214 -2.805 231 HG23 THR 31 HG23 THR 31 -7.746 18.455 -1.559 232 H SER 32 HN SER 32 -5.209 14.886 -2.170 233 HA SER 32 HA SER 32 -4.437 12.337 -1.289 234 HB2 SER 32 HB2 SER 32 -2.711 14.685 -2.064 235 HB3 SER 32 HB1 SER 32 -2.186 13.002 -1.986 236 HG SER 32 HG SER 32 -4.038 12.665 -3.528 237 H SER 33 HN SER 33 -2.519 11.877 0.106 238 HA SER 33 HA SER 33 -3.002 12.827 2.740 239 HB2 SER 33 HB2 SER 33 -1.044 11.368 3.312 240 HB3 SER 33 HB1 SER 33 -2.347 10.549 2.446 241 HG SER 33 HG SER 33 -1.072 10.252 0.789 242 H LYS 34 HN LYS 34 -1.066 13.962 0.221 243 HA LYS 34 HA LYS 34 1.003 15.159 1.802 244 HB2 LYS 34 HB2 LYS 34 0.097 15.697 -1.025 245 HB3 LYS 34 HB1 LYS 34 1.546 16.375 -0.297 246 HG2 LYS 34 HG2 LYS 34 1.031 13.435 -0.703 247 HG3 LYS 34 HG1 LYS 34 1.986 14.454 -1.782 248 HD2 LYS 34 HD2 LYS 34 3.504 14.963 0.095 249 HD3 LYS 34 HD1 LYS 34 2.569 13.871 1.119 250 HE2 LYS 34 HE2 LYS 34 3.102 12.009 -0.362 251 HE3 LYS 34 HE1 LYS 34 4.007 13.094 -1.415 252 HZ1 LYS 34 HZ1 LYS 34 5.551 13.511 0.369 253 HZ2 LYS 34 HZ2 LYS 34 5.442 11.850 0.098 254 HZ3 LYS 34 HZ3 LYS 34 4.662 12.540 1.423 255 H CYS 35 HN CYS 35 -2.228 15.886 1.092 256 HA CYS 35 HA CYS 35 -2.058 18.734 1.225 257 HB2 CYS 35 HB2 CYS 35 -4.448 16.931 1.609 258 HB3 CYS 35 HB1 CYS 35 -4.492 18.661 1.285 259 H SER 36 HN SER 36 -1.887 19.945 2.970 260 HA SER 36 HA SER 36 -1.691 18.866 5.573 261 HB2 SER 36 HB2 SER 36 -2.135 21.768 4.870 262 HB3 SER 36 HB1 SER 36 -1.314 21.115 6.287 263 HG SER 36 HG SER 36 -0.057 21.928 4.337 264 H ASN 37 HN ASN 37 -4.198 20.665 3.871 265 HA ASN 37 HA ASN 37 -6.000 20.371 6.156 266 HB2 ASN 37 HB2 ASN 37 -7.424 21.998 5.040 267 HB3 ASN 37 HB1 ASN 37 -5.780 22.620 5.135 268 HD21 ASN 37 HD21 ASN 37 -8.323 21.562 3.046 269 HD22 ASN 37 HD22 ASN 37 -7.553 21.980 1.550 270 H LEU 38 HN LEU 38 -8.338 19.935 5.456 271 HA LEU 38 HA LEU 38 -8.269 17.644 3.649 272 HB2 LEU 38 HB2 LEU 38 -9.656 18.215 6.135 273 HB3 LEU 38 HB1 LEU 38 -10.751 17.661 4.886 274 HG LEU 38 HG LEU 38 -10.039 15.794 6.220 275 HD11 LEU 38 HD11 LEU 38 -9.177 14.325 4.496 276 HD12 LEU 38 HD12 LEU 38 -8.686 15.713 3.529 277 HD13 LEU 38 HD13 LEU 38 -10.396 15.412 3.831 278 HD21 LEU 38 HD21 LEU 38 -7.691 15.099 6.338 279 HD22 LEU 38 HD22 LEU 38 -7.932 16.689 7.060 280 HD23 LEU 38 HD23 LEU 38 -7.219 16.549 5.453 281 H ALA 39 HN ALA 39 -9.400 17.591 1.843 282 HA ALA 39 HA ALA 39 -11.546 19.504 1.435 283 HB1 ALA 39 HB1 ALA 39 -9.235 19.187 -0.480 284 HB2 ALA 39 HB2 ALA 39 -9.584 20.612 0.497 285 HB3 ALA 39 HB3 ALA 39 -10.695 20.125 -0.783 286 H VAL 40 HN VAL 40 -13.015 18.847 -0.159 287 HA VAL 40 HA VAL 40 -12.812 15.986 -0.779 288 HB VAL 40 HB VAL 40 -15.363 17.575 -0.472 289 HG11 VAL 40 HG11 VAL 40 -15.596 15.622 -1.874 290 HG12 VAL 40 HG12 VAL 40 -16.431 15.387 -0.337 291 HG13 VAL 40 HG13 VAL 40 -14.871 14.614 -0.620 292 HG21 VAL 40 HG21 VAL 40 -14.099 17.453 1.653 293 HG22 VAL 40 HG22 VAL 40 -14.120 15.692 1.524 294 HG23 VAL 40 HG23 VAL 40 -15.631 16.584 1.708 295 H VAL 41 HN VAL 41 -12.946 15.415 -2.801 296 HA VAL 41 HA VAL 41 -13.401 17.496 -4.810 297 HB VAL 41 HB VAL 41 -12.019 14.821 -5.128 298 HG11 VAL 41 HG11 VAL 41 -12.214 17.175 -7.000 299 HG12 VAL 41 HG12 VAL 41 -13.049 15.633 -7.185 300 HG13 VAL 41 HG13 VAL 41 -11.289 15.701 -7.285 301 HG21 VAL 41 HG21 VAL 41 -9.938 16.121 -5.260 302 HG22 VAL 41 HG22 VAL 41 -10.722 16.297 -3.690 303 HG23 VAL 41 HG23 VAL 41 -10.841 17.589 -4.884 304 H PHE 42 HN PHE 42 -15.367 17.458 -5.593 305 HA PHE 42 HA PHE 42 -16.873 14.963 -5.611 306 HB2 PHE 42 HB2 PHE 42 -17.682 17.826 -6.070 307 HB3 PHE 42 HB1 PHE 42 -18.777 16.472 -6.310 308 HD1 PHE 42 HD1 PHE 42 -17.129 18.608 -3.917 309 HD2 PHE 42 HD2 PHE 42 -19.447 15.077 -4.397 310 HE1 PHE 42 HE1 PHE 42 -17.673 18.641 -1.518 311 HE2 PHE 42 HE2 PHE 42 -20.004 15.103 -2.007 312 HZ PHE 42 HZ PHE 42 -19.125 16.880 -0.562 313 H VAL 43 HN VAL 43 -17.272 13.840 -7.354 314 HA VAL 43 HA VAL 43 -16.329 14.907 -9.909 315 HB VAL 43 HB VAL 43 -17.151 12.076 -9.265 316 HG11 VAL 43 HG11 VAL 43 -15.583 13.223 -11.564 317 HG12 VAL 43 HG12 VAL 43 -17.240 12.615 -11.624 318 HG13 VAL 43 HG13 VAL 43 -15.906 11.509 -11.293 319 HG21 VAL 43 HG21 VAL 43 -15.252 12.699 -7.870 320 HG22 VAL 43 HG22 VAL 43 -14.377 13.257 -9.295 321 HG23 VAL 43 HG23 VAL 43 -14.760 11.547 -9.113 322 H THR 44 HN THR 44 -17.791 15.758 -11.163 323 HA THR 44 HA THR 44 -20.592 15.520 -10.660 324 HB THR 44 HB THR 44 -20.862 16.974 -12.628 325 HG1 THR 44 HG1 THR 44 -18.053 16.980 -12.901 326 HG21 THR 44 HG21 THR 44 -20.237 17.984 -10.469 327 HG22 THR 44 HG22 THR 44 -19.568 18.881 -11.835 328 HG23 THR 44 HG23 THR 44 -18.535 17.803 -10.898 329 H ARG 45 HN ARG 45 -22.090 15.133 -12.607 330 HA ARG 45 HA ARG 45 -21.736 12.481 -13.542 331 HB2 ARG 45 HB2 ARG 45 -23.693 14.628 -14.382 332 HB3 ARG 45 HB1 ARG 45 -23.770 12.959 -14.925 333 HG2 ARG 45 HG2 ARG 45 -23.927 13.802 -12.040 334 HG3 ARG 45 HG1 ARG 45 -25.329 13.512 -13.070 335 HD2 ARG 45 HD2 ARG 45 -24.691 11.210 -13.371 336 HD3 ARG 45 HD1 ARG 45 -23.178 11.473 -12.507 337 HE ARG 45 HE ARG 45 -25.046 12.181 -10.690 338 HH11 ARG 45 HH11 ARG 45 -24.614 9.296 -12.654 339 HH12 ARG 45 HH12 ARG 45 -25.337 8.243 -11.490 340 HH21 ARG 45 HH21 ARG 45 -26.005 10.773 -9.151 341 HH22 ARG 45 HH22 ARG 45 -26.130 9.087 -9.498 342 H ARG 46 HN ARG 46 -20.678 15.503 -14.665 343 HA ARG 46 HA ARG 46 -20.289 14.697 -17.426 344 HB2 ARG 46 HB2 ARG 46 -19.368 17.140 -15.885 345 HB3 ARG 46 HB1 ARG 46 -19.001 16.865 -17.574 346 HG2 ARG 46 HG2 ARG 46 -20.787 18.362 -17.586 347 HG3 ARG 46 HG1 ARG 46 -21.526 16.802 -17.940 348 HD2 ARG 46 HD2 ARG 46 -22.482 16.648 -15.815 349 HD3 ARG 46 HD1 ARG 46 -21.378 17.839 -15.134 350 HE ARG 46 HE ARG 46 -22.573 19.526 -16.462 351 HH11 ARG 46 HH11 ARG 46 -24.228 16.480 -15.884 352 HH12 ARG 46 HH12 ARG 46 -25.803 17.184 -15.930 353 HH21 ARG 46 HH21 ARG 46 -24.656 20.447 -16.556 354 HH22 ARG 46 HH22 ARG 46 -26.051 19.448 -16.348 355 H ASN 47 HN ASN 47 -18.925 13.793 -14.656 356 HA ASN 47 HA ASN 47 -17.023 12.794 -14.022 357 HB2 ASN 47 HB2 ASN 47 -16.389 12.945 -16.969 358 HB3 ASN 47 HB1 ASN 47 -15.297 12.211 -15.799 359 HD21 ASN 47 HD21 ASN 47 -18.227 11.881 -17.568 360 HD22 ASN 47 HD22 ASN 47 -18.587 10.262 -17.081 361 H ARG 48 HN ARG 48 -17.374 15.799 -14.515 362 HA ARG 48 HA ARG 48 -14.589 16.653 -14.436 363 HB2 ARG 48 HB2 ARG 48 -16.064 18.054 -15.746 364 HB3 ARG 48 HB1 ARG 48 -17.196 18.194 -14.408 365 HG2 ARG 48 HG2 ARG 48 -15.627 19.512 -13.151 366 HG3 ARG 48 HG1 ARG 48 -14.381 19.261 -14.373 367 HD2 ARG 48 HD2 ARG 48 -15.650 20.516 -15.991 368 HD3 ARG 48 HD1 ARG 48 -17.009 20.650 -14.874 369 HE ARG 48 HE ARG 48 -15.961 22.394 -13.859 370 HH11 ARG 48 HH11 ARG 48 -13.571 20.689 -15.796 371 HH12 ARG 48 HH12 ARG 48 -12.319 21.845 -15.504 372 HH21 ARG 48 HH21 ARG 48 -14.281 23.926 -13.474 373 HH22 ARG 48 HH22 ARG 48 -12.724 23.683 -14.183 374 H GLN 49 HN GLN 49 -13.642 17.523 -12.609 375 HA GLN 49 HA GLN 49 -14.976 16.708 -10.143 376 HB2 GLN 49 HB2 GLN 49 -12.092 17.329 -10.720 377 HB3 GLN 49 HB1 GLN 49 -12.730 16.809 -9.167 378 HG2 GLN 49 HG2 GLN 49 -13.331 14.687 -10.032 379 HG3 GLN 49 HG1 GLN 49 -12.983 15.194 -11.683 380 HE21 GLN 49 HE21 GLN 49 -10.974 16.115 -9.028 381 HE22 GLN 49 HE22 GLN 49 -9.617 15.120 -9.451 382 H VAL 50 HN VAL 50 -14.586 18.017 -8.218 383 HA VAL 50 HA VAL 50 -13.939 20.786 -8.609 384 HB VAL 50 HB VAL 50 -16.385 20.655 -9.076 385 HG11 VAL 50 HG11 VAL 50 -17.940 20.194 -7.269 386 HG12 VAL 50 HG12 VAL 50 -16.582 19.748 -6.230 387 HG13 VAL 50 HG13 VAL 50 -16.940 18.794 -7.669 388 HG21 VAL 50 HG21 VAL 50 -17.037 22.484 -7.565 389 HG22 VAL 50 HG22 VAL 50 -15.409 22.718 -8.205 390 HG23 VAL 50 HG23 VAL 50 -15.630 22.139 -6.558 391 H CYS 51 HN CYS 51 -13.173 21.731 -6.704 392 HA CYS 51 HA CYS 51 -12.862 19.879 -4.452 393 HB2 CYS 51 HB2 CYS 51 -11.349 22.324 -5.314 394 HB3 CYS 51 HB1 CYS 51 -11.171 21.645 -3.704 395 H ALA 52 HN ALA 52 -13.634 20.306 -2.469 396 HA ALA 52 HA ALA 52 -14.456 22.984 -1.751 397 HB1 ALA 52 HB1 ALA 52 -16.456 20.721 -1.767 398 HB2 ALA 52 HB2 ALA 52 -16.455 22.108 -2.859 399 HB3 ALA 52 HB3 ALA 52 -16.728 22.344 -1.133 400 H ASN 53 HN ASN 53 -14.582 23.296 0.451 401 HA ASN 53 HA ASN 53 -13.144 21.401 2.049 402 HB2 ASN 53 HB2 ASN 53 -14.371 24.092 2.625 403 HB3 ASN 53 HB1 ASN 53 -13.698 23.098 3.911 404 HD21 ASN 53 HD21 ASN 53 -11.520 22.023 2.359 405 HD22 ASN 53 HD22 ASN 53 -10.400 23.317 2.140 406 HA PRO 54 HA PRO 54 -16.640 19.104 3.517 407 HB2 PRO 54 HB2 PRO 54 -15.482 17.913 5.641 408 HB3 PRO 54 HB1 PRO 54 -15.072 17.464 3.981 409 HG2 PRO 54 HG2 PRO 54 -13.645 19.346 5.828 410 HG3 PRO 54 HG1 PRO 54 -12.967 18.016 4.863 411 HD2 PRO 54 HD2 PRO 54 -12.824 20.553 4.028 412 HD3 PRO 54 HD1 PRO 54 -13.115 19.225 2.883 413 H GLU 55 HN GLU 55 -15.429 21.814 4.945 414 HA GLU 55 HA GLU 55 -16.660 21.630 7.513 415 HB2 GLU 55 HB2 GLU 55 -15.600 24.019 6.006 416 HB3 GLU 55 HB1 GLU 55 -16.109 24.036 7.688 417 HG2 GLU 55 HG2 GLU 55 -14.363 22.357 8.182 418 HG3 GLU 55 HG1 GLU 55 -13.817 22.490 6.510 419 H LYS 56 HN LYS 56 -17.751 22.365 4.384 420 HA LYS 56 HA LYS 56 -19.963 24.011 5.254 421 HB2 LYS 56 HB2 LYS 56 -19.374 22.765 2.565 422 HB3 LYS 56 HB1 LYS 56 -20.708 23.860 2.884 423 HG2 LYS 56 HG2 LYS 56 -17.782 24.538 3.155 424 HG3 LYS 56 HG1 LYS 56 -18.816 24.976 1.796 425 HD2 LYS 56 HD2 LYS 56 -19.280 25.839 4.657 426 HD3 LYS 56 HD1 LYS 56 -18.480 26.821 3.433 427 HE2 LYS 56 HE2 LYS 56 -20.533 26.742 2.063 428 HE3 LYS 56 HE1 LYS 56 -21.325 25.811 3.330 429 HZ1 LYS 56 HZ1 LYS 56 -21.928 28.120 3.525 430 HZ2 LYS 56 HZ2 LYS 56 -20.308 28.594 3.562 431 HZ3 LYS 56 HZ3 LYS 56 -20.948 27.712 4.842 432 H LYS 57 HN LYS 57 -21.994 23.392 5.622 433 HA LYS 57 HA LYS 57 -22.529 20.764 6.425 434 HB2 LYS 57 HB2 LYS 57 -23.677 22.985 7.080 435 HB3 LYS 57 HB1 LYS 57 -24.659 22.749 5.647 436 HG2 LYS 57 HG2 LYS 57 -24.529 20.459 7.494 437 HG3 LYS 57 HG1 LYS 57 -25.332 21.900 8.110 438 HD2 LYS 57 HD2 LYS 57 -26.746 21.899 6.048 439 HD3 LYS 57 HD1 LYS 57 -26.017 20.348 5.616 440 HE2 LYS 57 HE2 LYS 57 -26.855 19.349 7.657 441 HE3 LYS 57 HE1 LYS 57 -27.503 20.899 8.183 442 HZ1 LYS 57 HZ1 LYS 57 -29.259 19.591 7.295 443 HZ2 LYS 57 HZ2 LYS 57 -28.399 19.250 5.885 444 HZ3 LYS 57 HZ3 LYS 57 -28.955 20.826 6.175 445 H TRP 58 HN TRP 58 -23.155 22.457 3.416 446 HA TRP 58 HA TRP 58 -24.837 20.581 2.191 447 HB2 TRP 58 HB2 TRP 58 -22.838 22.483 0.951 448 HB3 TRP 58 HB1 TRP 58 -24.047 21.582 0.045 449 HD1 TRP 58 HD1 TRP 58 -23.554 24.757 1.936 450 HE1 TRP 58 HE1 TRP 58 -25.771 26.058 2.063 451 HE3 TRP 58 HE3 TRP 58 -26.731 21.107 0.289 452 HZ2 TRP 58 HZ2 TRP 58 -28.499 25.597 1.534 453 HZ3 TRP 58 HZ3 TRP 58 -29.132 21.620 0.128 454 HH2 TRP 58 HH2 TRP 58 -29.996 23.819 0.740 455 H VAL 59 HN VAL 59 -21.343 20.905 2.259 456 HA VAL 59 HA VAL 59 -20.732 18.832 0.453 457 HB VAL 59 HB VAL 59 -19.106 19.934 2.768 458 HG11 VAL 59 HG11 VAL 59 -18.290 17.714 2.167 459 HG12 VAL 59 HG12 VAL 59 -17.149 18.957 1.645 460 HG13 VAL 59 HG13 VAL 59 -18.213 18.192 0.473 461 HG21 VAL 59 HG21 VAL 59 -19.695 21.559 1.013 462 HG22 VAL 59 HG22 VAL 59 -18.954 20.505 -0.190 463 HG23 VAL 59 HG23 VAL 59 -17.961 21.238 1.071 464 H GLN 60 HN GLN 60 -21.308 18.918 3.890 465 HA GLN 60 HA GLN 60 -20.637 16.224 4.448 466 HB2 GLN 60 HB2 GLN 60 -22.533 18.069 5.911 467 HB3 GLN 60 HB1 GLN 60 -21.854 16.578 6.549 468 HG2 GLN 60 HG2 GLN 60 -20.185 18.923 5.694 469 HG3 GLN 60 HG1 GLN 60 -20.767 18.692 7.338 470 HE21 GLN 60 HE21 GLN 60 -18.629 17.524 4.866 471 HE22 GLN 60 HE22 GLN 60 -17.655 16.541 5.900 472 H GLU 61 HN GLU 61 -23.624 17.888 3.570 473 HA GLU 61 HA GLU 61 -25.338 15.668 3.819 474 HB2 GLU 61 HB2 GLU 61 -25.590 18.067 2.015 475 HB3 GLU 61 HB1 GLU 61 -26.888 16.955 2.432 476 HG2 GLU 61 HG2 GLU 61 -25.379 18.632 4.407 477 HG3 GLU 61 HG1 GLU 61 -26.924 19.074 3.693 478 H TYR 62 HN TYR 62 -23.498 16.959 1.126 479 HA TYR 62 HA TYR 62 -24.522 15.070 -0.733 480 HB2 TYR 62 HB2 TYR 62 -22.171 16.934 -0.801 481 HB3 TYR 62 HB1 TYR 62 -22.449 15.767 -2.093 482 HD1 TYR 62 HD1 TYR 62 -23.770 18.753 -0.418 483 HD2 TYR 62 HD2 TYR 62 -24.264 16.040 -3.634 484 HE1 TYR 62 HE1 TYR 62 -25.378 20.297 -1.456 485 HE2 TYR 62 HE2 TYR 62 -25.869 17.574 -4.689 486 HH TYR 62 HH TYR 62 -26.224 20.736 -3.862 487 H ILE 63 HN ILE 63 -21.691 15.155 1.338 488 HA ILE 63 HA ILE 63 -20.520 12.760 0.411 489 HB ILE 63 HB ILE 63 -20.427 14.173 3.074 490 HG12 ILE 63 HG12 ILE 63 -18.310 13.640 0.978 491 HG13 ILE 63 HG11 ILE 63 -19.187 15.151 1.186 492 HG21 ILE 63 HG21 ILE 63 -18.997 11.606 2.391 493 HG22 ILE 63 HG22 ILE 63 -20.277 11.810 3.589 494 HG23 ILE 63 HG23 ILE 63 -18.713 12.590 3.830 495 HD11 ILE 63 HD11 ILE 63 -16.943 15.235 2.143 496 HD12 ILE 63 HD12 ILE 63 -17.358 13.908 3.226 497 HD13 ILE 63 HD13 ILE 63 -18.189 15.458 3.369 498 H ASN 64 HN ASN 64 -22.847 13.404 2.978 499 HA ASN 64 HA ASN 64 -23.144 10.735 3.832 500 HB2 ASN 64 HB2 ASN 64 -24.197 11.824 5.484 501 HB3 ASN 64 HB1 ASN 64 -24.208 13.300 4.532 502 HD21 ASN 64 HD21 ASN 64 -26.030 13.788 3.298 503 HD22 ASN 64 HD22 ASN 64 -27.573 13.082 3.629 504 H TYR 65 HN TYR 65 -24.698 12.597 1.315 505 HA TYR 65 HA TYR 65 -26.715 10.613 0.841 506 HB2 TYR 65 HB2 TYR 65 -26.950 13.078 0.208 507 HB3 TYR 65 HB1 TYR 65 -25.832 12.714 -1.105 508 HD1 TYR 65 HD1 TYR 65 -29.116 11.669 0.287 509 HD2 TYR 65 HD2 TYR 65 -26.586 11.835 -3.130 510 HE1 TYR 65 HE1 TYR 65 -30.952 10.815 -1.107 511 HE2 TYR 65 HE2 TYR 65 -28.417 10.988 -4.534 512 HH TYR 65 HH TYR 65 -31.648 10.775 -3.428 513 H LEU 66 HN LEU 66 -23.623 11.467 -0.635 514 HA LEU 66 HA LEU 66 -23.942 9.581 -2.749 515 HB2 LEU 66 HB2 LEU 66 -21.549 11.128 -1.796 516 HB3 LEU 66 HB1 LEU 66 -21.512 10.051 -3.180 517 HG LEU 66 HG LEU 66 -23.260 12.487 -2.917 518 HD11 LEU 66 HD11 LEU 66 -20.919 13.088 -3.093 519 HD12 LEU 66 HD12 LEU 66 -21.764 13.457 -4.595 520 HD13 LEU 66 HD13 LEU 66 -20.734 12.030 -4.491 521 HD21 LEU 66 HD21 LEU 66 -23.747 12.115 -5.270 522 HD22 LEU 66 HD22 LEU 66 -24.228 10.719 -4.317 523 HD23 LEU 66 HD23 LEU 66 -22.744 10.667 -5.268 524 H GLU 67 HN GLU 67 -22.504 9.446 0.440 525 HA GLU 67 HA GLU 67 -21.096 7.023 0.020 526 HB2 GLU 67 HB2 GLU 67 -20.862 6.915 2.411 527 HB3 GLU 67 HB1 GLU 67 -20.725 8.604 1.938 528 HG2 GLU 67 HG2 GLU 67 -23.008 9.004 2.621 529 HG3 GLU 67 HG1 GLU 67 -23.191 7.311 3.060 530 H MET 68 HN MET 68 -24.412 7.797 0.619 531 HA MET 68 HA MET 68 -25.075 4.954 0.950 532 HB2 MET 68 HB2 MET 68 -27.237 5.675 1.748 533 HB3 MET 68 HB1 MET 68 -25.974 6.452 2.689 534 HG2 MET 68 HG2 MET 68 -26.296 8.498 1.315 535 HG3 MET 68 HG1 MET 68 -27.630 7.682 0.497 536 HE1 MET 68 HE1 MET 68 -28.905 6.050 3.017 537 HE2 MET 68 HE2 MET 68 -29.836 6.864 1.762 538 HE3 MET 68 HE3 MET 68 -30.178 7.187 3.461 539 H SER 69 HN SER 69 -24.728 7.157 -1.376 540 HA SER 69 HA SER 69 -25.205 7.256 -3.555 541 HB2 SER 69 HB2 SER 69 -26.649 4.669 -3.053 542 HB3 SER 69 HB1 SER 69 -26.263 5.336 -4.642 543 HG SER 69 HG SER 69 -24.072 5.276 -3.073 544 H1 MET 1 HT1 MET 1 -14.128 26.590 -21.319 545 HA MET 1 HA MET 1 -14.207 28.074 -19.482 546 HB2 MET 1 HB2 MET 1 -15.512 28.666 -21.436 547 HB3 MET 1 HB1 MET 1 -16.855 27.676 -20.884 548 HG2 MET 1 HG2 MET 1 -17.266 30.054 -20.513 549 HG3 MET 1 HG1 MET 1 -17.212 29.155 -18.999 550 HE1 MET 1 HE1 MET 1 -15.730 32.649 -18.000 551 HE2 MET 1 HE2 MET 1 -16.957 31.434 -17.641 552 HE3 MET 1 HE3 MET 1 -17.022 32.333 -19.157 553 H SER 2 HN SER 2 -14.690 28.462 -17.432 554 HA SER 2 HA SER 2 -16.885 27.015 -16.174 555 HB2 SER 2 HB2 SER 2 -14.068 27.158 -15.067 556 HB3 SER 2 HB1 SER 2 -15.458 26.442 -14.252 557 HG SER 2 HG SER 2 -15.596 24.936 -15.966 558 HA PRO 3 HA PRO 3 -17.705 31.100 -14.647 559 HB2 PRO 3 HB2 PRO 3 -19.229 30.393 -12.465 560 HB3 PRO 3 HB1 PRO 3 -19.844 30.460 -14.120 561 HG2 PRO 3 HG2 PRO 3 -18.927 28.096 -12.533 562 HG3 PRO 3 HG1 PRO 3 -20.313 28.241 -13.630 563 HD2 PRO 3 HD2 PRO 3 -18.030 27.031 -14.376 564 HD3 PRO 3 HD1 PRO 3 -19.004 27.979 -15.519 565 H TYR 4 HN TYR 4 -16.637 28.569 -12.442 566 HA TYR 4 HA TYR 4 -15.018 30.549 -11.022 567 HB2 TYR 4 HB2 TYR 4 -16.643 28.347 -9.720 568 HB3 TYR 4 HB1 TYR 4 -15.504 29.398 -8.883 569 HD1 TYR 4 HD1 TYR 4 -18.877 28.990 -9.963 570 HD2 TYR 4 HD2 TYR 4 -15.964 31.918 -8.954 571 HE1 TYR 4 HE1 TYR 4 -20.662 30.643 -9.629 572 HE2 TYR 4 HE2 TYR 4 -17.741 33.577 -8.613 573 HH TYR 4 HH TYR 4 -21.012 32.741 -8.400 574 H GLY 5 HN GLY 5 -13.767 28.817 -9.278 575 HA2 GLY 5 HA2 GLY 5 -12.534 26.825 -11.048 576 HA3 GLY 5 HA1 GLY 5 -11.525 28.013 -10.235 577 H SER 6 HN SER 6 -10.387 26.575 -9.004 578 HA SER 6 HA SER 6 -9.898 25.269 -7.221 579 HB2 SER 6 HB2 SER 6 -12.602 26.199 -6.235 580 HB3 SER 6 HB1 SER 6 -11.362 25.427 -5.245 581 HG SER 6 HG SER 6 -10.060 27.324 -6.331 582 H ASP 7 HN ASP 7 -10.695 23.877 -9.345 583 HA ASP 7 HA ASP 7 -12.673 21.972 -8.409 584 HB2 ASP 7 HB2 ASP 7 -12.696 21.080 -10.661 585 HB3 ASP 7 HB1 ASP 7 -12.856 22.832 -10.714 586 H THR 8 HN THR 8 -9.321 22.306 -9.073 587 HA THR 8 HA THR 8 -8.464 20.308 -7.335 588 HB THR 8 HB THR 8 -7.238 19.039 -9.399 589 HG1 THR 8 HG1 THR 8 -9.635 20.057 -10.388 590 HG21 THR 8 HG21 THR 8 -8.799 17.165 -9.032 591 HG22 THR 8 HG22 THR 8 -9.890 18.258 -8.182 592 HG23 THR 8 HG23 THR 8 -8.292 17.916 -7.520 593 H THR 9 HN THR 9 -6.621 21.163 -6.634 594 HA THR 9 HA THR 9 -5.080 22.769 -8.532 595 HB THR 9 HB THR 9 -4.963 22.708 -5.515 596 HG1 THR 9 HG1 THR 9 -6.846 23.693 -6.032 597 HG21 THR 9 HG21 THR 9 -3.553 24.641 -5.681 598 HG22 THR 9 HG22 THR 9 -3.756 24.708 -7.432 599 HG23 THR 9 HG23 THR 9 -2.850 23.384 -6.698 600 HA PRO 10 HA PRO 10 -2.146 19.411 -8.317 601 HB2 PRO 10 HB2 PRO 10 -0.679 20.611 -10.451 602 HB3 PRO 10 HB1 PRO 10 -1.776 19.231 -10.531 603 HG2 PRO 10 HG2 PRO 10 -2.241 21.714 -11.697 604 HG3 PRO 10 HG1 PRO 10 -3.466 20.478 -11.375 605 HD2 PRO 10 HD2 PRO 10 -2.809 22.946 -9.843 606 HD3 PRO 10 HD1 PRO 10 -4.373 22.138 -10.098 607 H CYS 11 HN CYS 11 -0.966 19.726 -6.543 608 HA CYS 11 HA CYS 11 1.164 21.756 -6.650 609 HB2 CYS 11 HB2 CYS 11 -0.709 22.338 -5.053 610 HB3 CYS 11 HB1 CYS 11 -0.313 20.880 -4.153 611 H CYS 12 HN CYS 12 2.835 21.102 -4.774 612 HA CYS 12 HA CYS 12 3.108 18.479 -3.932 613 HB2 CYS 12 HB2 CYS 12 3.270 18.124 -6.444 614 HB3 CYS 12 HB1 CYS 12 4.802 18.984 -6.369 615 H PHE 13 HN PHE 13 5.159 18.068 -2.966 616 HA PHE 13 HA PHE 13 7.175 20.112 -2.992 617 HB2 PHE 13 HB2 PHE 13 7.156 20.334 -0.464 618 HB3 PHE 13 HB1 PHE 13 5.836 21.133 -1.300 619 HD1 PHE 13 HD1 PHE 13 6.735 18.877 1.298 620 HD2 PHE 13 HD2 PHE 13 3.579 19.875 -1.378 621 HE1 PHE 13 HE1 PHE 13 5.131 17.725 2.762 622 HE2 PHE 13 HE2 PHE 13 1.973 18.720 0.081 623 HZ PHE 13 HZ PHE 13 2.748 17.644 2.154 624 H ALA 14 HN ALA 14 8.310 18.375 -3.936 625 HA ALA 14 HA ALA 14 9.812 16.834 -2.109 626 HB1 ALA 14 HB1 ALA 14 7.791 15.435 -2.081 627 HB2 ALA 14 HB2 ALA 14 9.121 14.601 -2.883 628 HB3 ALA 14 HB3 ALA 14 7.834 15.331 -3.841 629 H TYR 15 HN TYR 15 10.877 14.986 -3.700 630 HA TYR 15 HA TYR 15 11.301 15.969 -6.357 631 HB2 TYR 15 HB2 TYR 15 13.733 16.305 -6.107 632 HB3 TYR 15 HB1 TYR 15 12.828 17.440 -5.113 633 HD1 TYR 15 HD1 TYR 15 15.108 14.587 -5.109 634 HD2 TYR 15 HD2 TYR 15 12.855 17.242 -2.664 635 HE1 TYR 15 HE1 TYR 15 16.404 13.877 -3.152 636 HE2 TYR 15 HE2 TYR 15 14.153 16.536 -0.697 637 HH TYR 15 HH TYR 15 17.030 14.854 -0.922 638 H LEU 16 HN LEU 16 13.105 14.570 -7.382 639 HA LEU 16 HA LEU 16 12.687 11.815 -6.451 640 HB2 LEU 16 HB2 LEU 16 12.286 12.871 -8.936 641 HB3 LEU 16 HB1 LEU 16 13.933 12.296 -9.088 642 HG LEU 16 HG LEU 16 11.555 10.588 -8.321 643 HD11 LEU 16 HD11 LEU 16 13.100 10.737 -10.901 644 HD12 LEU 16 HD12 LEU 16 11.454 11.321 -10.638 645 HD13 LEU 16 HD13 LEU 16 11.806 9.596 -10.528 646 HD21 LEU 16 HD21 LEU 16 13.065 8.698 -8.606 647 HD22 LEU 16 HD22 LEU 16 13.659 9.783 -7.348 648 HD23 LEU 16 HD23 LEU 16 14.399 9.799 -8.949 649 H SER 17 HN SER 17 14.322 10.702 -5.671 650 HA SER 17 HA SER 17 16.758 11.884 -4.983 651 HB2 SER 17 HB2 SER 17 15.966 8.981 -5.135 652 HB3 SER 17 HB1 SER 17 17.433 9.571 -4.344 653 HG SER 17 HG SER 17 14.735 10.168 -3.668 654 H LEU 18 HN LEU 18 15.807 10.183 -7.839 655 HA LEU 18 HA LEU 18 18.565 10.280 -8.806 656 HB2 LEU 18 HB2 LEU 18 16.266 8.545 -9.729 657 HB3 LEU 18 HB1 LEU 18 17.810 8.641 -10.548 658 HG LEU 18 HG LEU 18 18.822 7.859 -8.300 659 HD11 LEU 18 HD11 LEU 18 17.353 6.484 -6.924 660 HD12 LEU 18 HD12 LEU 18 15.968 6.991 -7.891 661 HD13 LEU 18 HD13 LEU 18 16.848 8.174 -6.924 662 HD21 LEU 18 HD21 LEU 18 17.141 6.007 -9.974 663 HD22 LEU 18 HD22 LEU 18 18.434 5.511 -8.884 664 HD23 LEU 18 HD23 LEU 18 18.803 6.498 -10.297 665 H ALA 19 HN ALA 19 18.770 12.201 -9.721 666 HA ALA 19 HA ALA 19 16.574 13.439 -11.105 667 HB1 ALA 19 HB1 ALA 19 18.060 14.765 -9.688 668 HB2 ALA 19 HB2 ALA 19 18.050 15.347 -11.353 669 HB3 ALA 19 HB3 ALA 19 19.411 14.393 -10.759 670 H LEU 20 HN LEU 20 16.109 12.513 -12.977 671 HA LEU 20 HA LEU 20 17.815 11.377 -14.820 672 HB2 LEU 20 HB2 LEU 20 15.972 11.965 -16.501 673 HB3 LEU 20 HB1 LEU 20 15.544 10.947 -15.147 674 HG LEU 20 HG LEU 20 14.842 13.305 -14.102 675 HD11 LEU 20 HD11 LEU 20 13.769 14.705 -15.787 676 HD12 LEU 20 HD12 LEU 20 14.439 13.688 -17.062 677 HD13 LEU 20 HD13 LEU 20 15.514 14.623 -16.023 678 HD21 LEU 20 HD21 LEU 20 13.412 11.357 -14.297 679 HD22 LEU 20 HD22 LEU 20 13.176 11.681 -16.015 680 HD23 LEU 20 HD23 LEU 20 12.554 12.809 -14.811 681 HA PRO 21 HA PRO 21 20.454 14.617 -16.193 682 HB2 PRO 21 HB2 PRO 21 20.632 13.633 -18.847 683 HB3 PRO 21 HB1 PRO 21 21.752 13.345 -17.516 684 HG2 PRO 21 HG2 PRO 21 19.567 11.635 -18.550 685 HG3 PRO 21 HG1 PRO 21 21.077 11.173 -17.751 686 HD2 PRO 21 HD2 PRO 21 18.701 11.026 -16.514 687 HD3 PRO 21 HD1 PRO 21 20.186 11.453 -15.637 688 H ARG 22 HN ARG 22 20.614 16.369 -17.646 689 HA ARG 22 HA ARG 22 18.335 17.859 -18.142 690 HB2 ARG 22 HB2 ARG 22 20.869 18.006 -19.787 691 HB3 ARG 22 HB1 ARG 22 19.700 19.290 -19.538 692 HG2 ARG 22 HG2 ARG 22 20.334 19.543 -17.272 693 HG3 ARG 22 HG1 ARG 22 21.304 18.072 -17.313 694 HD2 ARG 22 HD2 ARG 22 21.842 20.583 -18.891 695 HD3 ARG 22 HD1 ARG 22 22.688 20.084 -17.426 696 HE ARG 22 HE ARG 22 22.752 18.140 -19.554 697 HH11 ARG 22 HH11 ARG 22 24.367 20.883 -18.075 698 HH12 ARG 22 HH12 ARG 22 25.892 20.549 -18.821 699 HH21 ARG 22 HH21 ARG 22 24.792 17.686 -20.534 700 HH22 ARG 22 HH22 ARG 22 26.131 18.736 -20.228 701 H ALA 23 HN ALA 23 20.008 15.642 -20.210 702 HA ALA 23 HA ALA 23 18.620 16.196 -22.624 703 HB1 ALA 23 HB1 ALA 23 20.774 15.038 -22.570 704 HB2 ALA 23 HB2 ALA 23 19.560 14.114 -23.455 705 HB3 ALA 23 HB3 ALA 23 20.002 13.644 -21.814 706 H HIS 24 HN HIS 24 17.683 14.449 -19.826 707 HA HIS 24 HA HIS 24 15.698 12.862 -21.221 708 HB2 HIS 24 HB2 HIS 24 16.647 12.993 -18.375 709 HB3 HIS 24 HB1 HIS 24 15.195 12.108 -18.822 710 HD1 HIS 24 HD1 HIS 24 16.033 9.736 -18.460 711 HD2 HIS 24 HD2 HIS 24 18.566 11.991 -20.865 712 HE1 HIS 24 HE1 HIS 24 17.756 8.133 -19.310 713 H VAL 25 HN VAL 25 15.917 15.887 -19.578 714 HA VAL 25 HA VAL 25 13.045 15.958 -19.171 715 HB VAL 25 HB VAL 25 14.711 16.986 -17.514 716 HG11 VAL 25 HG11 VAL 25 14.772 19.194 -19.565 717 HG12 VAL 25 HG12 VAL 25 16.131 18.156 -19.125 718 HG13 VAL 25 HG13 VAL 25 15.449 19.269 -17.937 719 HG21 VAL 25 HG21 VAL 25 13.220 18.818 -16.958 720 HG22 VAL 25 HG22 VAL 25 12.310 17.382 -17.431 721 HG23 VAL 25 HG23 VAL 25 12.489 18.725 -18.559 722 H LYS 26 HN LYS 26 11.660 17.314 -20.275 723 HA LYS 26 HA LYS 26 12.677 18.196 -22.877 724 HB2 LYS 26 HB2 LYS 26 10.851 16.515 -22.865 725 HB3 LYS 26 HB1 LYS 26 9.838 17.646 -21.987 726 HG2 LYS 26 HG2 LYS 26 9.658 19.085 -23.846 727 HG3 LYS 26 HG1 LYS 26 10.972 18.268 -24.696 728 HD2 LYS 26 HD2 LYS 26 8.867 17.591 -25.671 729 HD3 LYS 26 HD1 LYS 26 9.572 16.224 -24.815 730 HE2 LYS 26 HE2 LYS 26 7.272 16.214 -24.276 731 HE3 LYS 26 HE1 LYS 26 8.095 16.855 -22.856 732 HZ1 LYS 26 HZ1 LYS 26 7.433 19.077 -23.471 733 HZ2 LYS 26 HZ2 LYS 26 6.070 18.082 -23.490 734 HZ3 LYS 26 HZ3 LYS 26 6.802 18.523 -24.940 735 H GLU 27 HN GLU 27 10.869 19.229 -20.050 736 HA GLU 27 HA GLU 27 11.563 21.955 -20.460 737 HB2 GLU 27 HB2 GLU 27 9.303 22.849 -20.747 738 HB3 GLU 27 HB1 GLU 27 9.717 21.778 -22.081 739 HG2 GLU 27 HG2 GLU 27 8.483 19.976 -20.869 740 HG3 GLU 27 HG1 GLU 27 7.904 21.226 -19.766 741 H TYR 28 HN TYR 28 10.259 23.333 -18.776 742 HA TYR 28 HA TYR 28 9.791 21.711 -16.375 743 HB2 TYR 28 HB2 TYR 28 10.956 23.337 -14.987 744 HB3 TYR 28 HB1 TYR 28 12.040 22.761 -16.243 745 HD1 TYR 28 HD1 TYR 28 10.361 25.637 -14.809 746 HD2 TYR 28 HD2 TYR 28 12.600 24.269 -18.163 747 HE1 TYR 28 HE1 TYR 28 10.840 27.966 -15.437 748 HE2 TYR 28 HE2 TYR 28 13.086 26.600 -18.795 749 HH TYR 28 HH TYR 28 12.176 28.819 -18.461 750 H PHE 29 HN PHE 29 8.671 23.116 -14.629 751 HA PHE 29 HA PHE 29 7.019 25.258 -15.597 752 HB2 PHE 29 HB2 PHE 29 5.931 23.176 -16.537 753 HB3 PHE 29 HB1 PHE 29 5.674 22.636 -14.888 754 HD1 PHE 29 HD1 PHE 29 5.069 25.705 -16.932 755 HD2 PHE 29 HD2 PHE 29 3.576 22.965 -14.038 756 HE1 PHE 29 HE1 PHE 29 2.930 26.919 -16.892 757 HE2 PHE 29 HE2 PHE 29 1.435 24.176 -13.991 758 HZ PHE 29 HZ PHE 29 1.109 26.155 -15.420 759 H TYR 30 HN TYR 30 5.768 26.183 -13.846 760 HA TYR 30 HA TYR 30 6.801 25.354 -11.229 761 HB2 TYR 30 HB2 TYR 30 5.724 28.017 -12.162 762 HB3 TYR 30 HB1 TYR 30 6.142 27.655 -10.493 763 HD1 TYR 30 HD1 TYR 30 7.405 28.515 -13.778 764 HD2 TYR 30 HD2 TYR 30 8.500 27.223 -9.884 765 HE1 TYR 30 HE1 TYR 30 9.728 29.181 -14.218 766 HE2 TYR 30 HE2 TYR 30 10.830 27.884 -10.311 767 HH TYR 30 HH TYR 30 12.322 28.318 -12.131 768 H THR 31 HN THR 31 5.417 25.150 -9.477 769 HA THR 31 HA THR 31 2.939 23.985 -10.038 770 HB THR 31 HB THR 31 2.598 24.230 -7.499 771 HG1 THR 31 HG1 THR 31 3.979 25.494 -6.542 772 HG21 THR 31 HG21 THR 31 5.085 22.834 -8.505 773 HG22 THR 31 HG22 THR 31 3.445 22.196 -8.619 774 HG23 THR 31 HG23 THR 31 4.185 22.442 -7.038 775 H SER 32 HN SER 32 0.835 24.634 -9.125 776 HA SER 32 HA SER 32 -0.033 27.060 -10.169 777 HB2 SER 32 HB2 SER 32 -1.354 25.349 -8.057 778 HB3 SER 32 HB1 SER 32 -2.155 26.557 -9.061 779 HG SER 32 HG SER 32 -1.929 25.300 -10.807 780 H SER 33 HN SER 33 -0.912 28.934 -9.123 781 HA SER 33 HA SER 33 0.811 30.030 -7.170 782 HB2 SER 33 HB2 SER 33 -1.859 31.065 -8.121 783 HB3 SER 33 HB1 SER 33 -0.602 32.003 -7.317 784 HG SER 33 HG SER 33 0.745 31.639 -9.096 785 H LYS 34 HN LYS 34 -1.972 28.102 -6.882 786 HA LYS 34 HA LYS 34 -2.828 29.079 -4.319 787 HB2 LYS 34 HB2 LYS 34 -3.470 26.521 -5.781 788 HB3 LYS 34 HB1 LYS 34 -4.241 27.028 -4.287 789 HG2 LYS 34 HG2 LYS 34 -4.359 28.495 -6.914 790 HG3 LYS 34 HG1 LYS 34 -5.627 27.464 -6.253 791 HD2 LYS 34 HD2 LYS 34 -5.758 28.978 -4.290 792 HD3 LYS 34 HD1 LYS 34 -4.578 30.034 -5.070 793 HE2 LYS 34 HE2 LYS 34 -6.119 30.294 -6.980 794 HE3 LYS 34 HE1 LYS 34 -7.298 29.296 -6.137 795 HZ1 LYS 34 HZ1 LYS 34 -6.235 31.882 -5.160 796 HZ2 LYS 34 HZ2 LYS 34 -7.398 30.932 -4.385 797 HZ3 LYS 34 HZ3 LYS 34 -7.748 31.647 -5.870 798 H CYS 35 HN CYS 35 -0.330 27.037 -5.410 799 HA CYS 35 HA CYS 35 -0.144 25.216 -3.285 800 HB2 CYS 35 HB2 CYS 35 1.992 26.330 -5.103 801 HB3 CYS 35 HB1 CYS 35 2.226 24.973 -4.006 802 H SER 36 HN SER 36 0.913 25.255 -1.360 803 HA SER 36 HA SER 36 1.351 27.834 -0.183 804 HB2 SER 36 HB2 SER 36 1.789 25.063 0.950 805 HB3 SER 36 HB1 SER 36 1.803 26.565 1.876 806 HG SER 36 HG SER 36 -0.430 26.154 0.295 807 H ASN 37 HN ASN 37 3.238 25.661 -1.906 808 HA ASN 37 HA ASN 37 5.658 27.112 -1.148 809 HB2 ASN 37 HB2 ASN 37 6.988 25.066 -1.199 810 HB3 ASN 37 HB1 ASN 37 5.712 24.910 0.002 811 HD21 ASN 37 HD21 ASN 37 6.975 23.761 -3.015 812 HD22 ASN 37 HD22 ASN 37 5.877 22.433 -3.200 813 H LEU 38 HN LEU 38 7.241 27.146 -2.827 814 HA LEU 38 HA LEU 38 6.013 26.948 -5.458 815 HB2 LEU 38 HB2 LEU 38 7.210 29.036 -4.681 816 HB3 LEU 38 HB1 LEU 38 8.697 28.119 -4.694 817 HG LEU 38 HG LEU 38 8.251 29.657 -6.676 818 HD11 LEU 38 HD11 LEU 38 9.220 28.126 -8.293 819 HD12 LEU 38 HD12 LEU 38 8.852 26.767 -7.229 820 HD13 LEU 38 HD13 LEU 38 10.001 28.006 -6.720 821 HD21 LEU 38 HD21 LEU 38 6.854 28.794 -8.467 822 HD22 LEU 38 HD22 LEU 38 5.895 29.062 -7.011 823 HD23 LEU 38 HD23 LEU 38 6.381 27.427 -7.460 824 H ALA 39 HN ALA 39 6.378 25.233 -6.688 825 HA ALA 39 HA ALA 39 8.896 23.775 -6.343 826 HB1 ALA 39 HB1 ALA 39 6.182 22.486 -6.590 827 HB2 ALA 39 HB2 ALA 39 7.170 22.542 -5.131 828 HB3 ALA 39 HB3 ALA 39 7.728 21.640 -6.540 829 H VAL 40 HN VAL 40 9.376 22.356 -8.210 830 HA VAL 40 HA VAL 40 8.345 23.582 -10.674 831 HB VAL 40 HB VAL 40 11.085 22.363 -10.286 832 HG11 VAL 40 HG11 VAL 40 11.610 23.389 -12.428 833 HG12 VAL 40 HG12 VAL 40 9.957 23.990 -12.550 834 HG13 VAL 40 HG13 VAL 40 10.268 22.253 -12.574 835 HG21 VAL 40 HG21 VAL 40 10.738 24.450 -8.967 836 HG22 VAL 40 HG22 VAL 40 10.386 25.287 -10.484 837 HG23 VAL 40 HG23 VAL 40 11.981 24.586 -10.208 838 H VAL 41 HN VAL 41 7.625 22.298 -12.209 839 HA VAL 41 HA VAL 41 7.679 19.404 -11.730 840 HB VAL 41 HB VAL 41 5.681 20.989 -13.360 841 HG11 VAL 41 HG11 VAL 41 5.690 18.097 -12.505 842 HG12 VAL 41 HG12 VAL 41 5.982 18.698 -14.136 843 HG13 VAL 41 HG13 VAL 41 4.398 18.909 -13.389 844 HG21 VAL 41 HG21 VAL 41 4.095 20.520 -11.541 845 HG22 VAL 41 HG22 VAL 41 5.447 21.513 -10.995 846 HG23 VAL 41 HG23 VAL 41 5.400 19.794 -10.603 847 H PHE 42 HN PHE 42 9.036 18.409 -13.017 848 HA PHE 42 HA PHE 42 9.785 19.665 -15.539 849 HB2 PHE 42 HB2 PHE 42 10.990 17.399 -13.972 850 HB3 PHE 42 HB1 PHE 42 11.545 17.862 -15.574 851 HD1 PHE 42 HD1 PHE 42 11.732 18.509 -12.076 852 HD2 PHE 42 HD2 PHE 42 12.369 20.222 -15.912 853 HE1 PHE 42 HE1 PHE 42 13.174 20.228 -11.071 854 HE2 PHE 42 HE2 PHE 42 13.817 21.934 -14.921 855 HZ PHE 42 HZ PHE 42 14.228 21.943 -12.509 856 H VAL 43 HN VAL 43 9.269 18.911 -17.449 857 HA VAL 43 HA VAL 43 7.644 16.477 -17.539 858 HB VAL 43 HB VAL 43 7.962 18.574 -19.692 859 HG11 VAL 43 HG11 VAL 43 5.907 16.403 -19.319 860 HG12 VAL 43 HG12 VAL 43 7.245 16.374 -20.473 861 HG13 VAL 43 HG13 VAL 43 5.960 17.573 -20.643 862 HG21 VAL 43 HG21 VAL 43 5.757 19.417 -18.996 863 HG22 VAL 43 HG22 VAL 43 6.966 19.603 -17.725 864 HG23 VAL 43 HG23 VAL 43 5.777 18.305 -17.628 865 H THR 44 HN THR 44 8.679 14.740 -18.123 866 HA THR 44 HA THR 44 11.318 14.831 -19.233 867 HB THR 44 HB THR 44 11.228 12.381 -19.143 868 HG1 THR 44 HG1 THR 44 8.650 12.529 -18.019 869 HG21 THR 44 HG21 THR 44 11.737 13.626 -17.089 870 HG22 THR 44 HG22 THR 44 10.851 12.140 -16.734 871 HG23 THR 44 HG23 THR 44 10.015 13.692 -16.710 872 H ARG 45 HN ARG 45 11.828 13.216 -21.057 873 HA ARG 45 HA ARG 45 10.587 14.090 -23.445 874 HB2 ARG 45 HB2 ARG 45 12.353 11.668 -23.020 875 HB3 ARG 45 HB1 ARG 45 11.977 12.404 -24.569 876 HG2 ARG 45 HG2 ARG 45 13.544 13.670 -22.332 877 HG3 ARG 45 HG1 ARG 45 14.195 13.020 -23.837 878 HD2 ARG 45 HD2 ARG 45 12.804 14.677 -25.067 879 HD3 ARG 45 HD1 ARG 45 12.352 15.374 -23.516 880 HE ARG 45 HE ARG 45 15.084 15.347 -23.499 881 HH11 ARG 45 HH11 ARG 45 12.627 16.720 -25.588 882 HH12 ARG 45 HH12 ARG 45 13.602 18.063 -26.070 883 HH21 ARG 45 HH21 ARG 45 16.386 17.129 -24.150 884 HH22 ARG 45 HH22 ARG 45 15.745 18.290 -25.254 885 H ARG 46 HN ARG 46 9.872 11.576 -21.238 886 HA ARG 46 HA ARG 46 8.219 10.090 -23.131 887 HB2 ARG 46 HB2 ARG 46 9.024 9.659 -20.262 888 HB3 ARG 46 HB1 ARG 46 7.682 8.770 -20.956 889 HG2 ARG 46 HG2 ARG 46 9.699 7.441 -21.011 890 HG3 ARG 46 HG1 ARG 46 9.184 7.828 -22.649 891 HD2 ARG 46 HD2 ARG 46 10.891 9.435 -22.905 892 HD3 ARG 46 HD1 ARG 46 11.251 9.437 -21.180 893 HE ARG 46 HE ARG 46 11.922 7.006 -21.621 894 HH11 ARG 46 HH11 ARG 46 12.280 9.550 -24.028 895 HH12 ARG 46 HH12 ARG 46 13.717 8.877 -24.713 896 HH21 ARG 46 HH21 ARG 46 13.813 6.104 -22.558 897 HH22 ARG 46 HH22 ARG 46 14.584 6.902 -23.883 898 H ASN 47 HN ASN 47 7.816 12.908 -21.875 899 HA ASN 47 HA ASN 47 6.027 14.242 -21.519 900 HB2 ASN 47 HB2 ASN 47 4.456 11.779 -22.268 901 HB3 ASN 47 HB1 ASN 47 3.782 13.403 -22.129 902 HD21 ASN 47 HD21 ASN 47 4.282 11.376 -24.349 903 HD22 ASN 47 HD22 ASN 47 4.988 12.323 -25.611 904 H ARG 48 HN ARG 48 7.126 12.250 -19.466 905 HA ARG 48 HA ARG 48 4.836 12.189 -17.650 906 HB2 ARG 48 HB2 ARG 48 6.075 10.114 -17.695 907 HB3 ARG 48 HB1 ARG 48 7.591 10.962 -17.397 908 HG2 ARG 48 HG2 ARG 48 6.682 11.707 -15.214 909 HG3 ARG 48 HG1 ARG 48 5.264 10.709 -15.510 910 HD2 ARG 48 HD2 ARG 48 6.570 8.716 -15.436 911 HD3 ARG 48 HD1 ARG 48 8.078 9.639 -15.426 912 HE ARG 48 HE ARG 48 7.809 10.034 -13.196 913 HH11 ARG 48 HH11 ARG 48 4.855 8.645 -14.467 914 HH12 ARG 48 HH12 ARG 48 4.045 8.619 -12.940 915 HH21 ARG 48 HH21 ARG 48 6.727 10.009 -11.143 916 HH22 ARG 48 HH22 ARG 48 5.108 9.397 -11.061 917 H GLN 49 HN GLN 49 4.669 13.465 -15.922 918 HA GLN 49 HA GLN 49 6.574 15.637 -15.678 919 HB2 GLN 49 HB2 GLN 49 3.969 15.099 -14.257 920 HB3 GLN 49 HB1 GLN 49 4.945 16.549 -14.080 921 HG2 GLN 49 HG2 GLN 49 4.577 17.120 -16.393 922 HG3 GLN 49 HG1 GLN 49 3.674 15.625 -16.641 923 HE21 GLN 49 HE21 GLN 49 3.421 17.421 -13.692 924 HE22 GLN 49 HE22 GLN 49 1.816 18.014 -13.949 925 H VAL 50 HN VAL 50 7.314 16.296 -13.508 926 HA VAL 50 HA VAL 50 7.317 14.320 -11.414 927 HB VAL 50 HB VAL 50 9.199 13.609 -12.884 928 HG11 VAL 50 HG11 VAL 50 10.388 16.273 -12.211 929 HG12 VAL 50 HG12 VAL 50 9.799 15.753 -13.789 930 HG13 VAL 50 HG13 VAL 50 11.201 14.957 -13.066 931 HG21 VAL 50 HG21 VAL 50 10.901 13.469 -11.120 932 HG22 VAL 50 HG22 VAL 50 9.283 13.129 -10.502 933 HG23 VAL 50 HG23 VAL 50 10.030 14.697 -10.201 934 H CYS 51 HN CYS 51 7.498 15.263 -9.453 935 HA CYS 51 HA CYS 51 7.677 18.167 -9.354 936 HB2 CYS 51 HB2 CYS 51 7.209 16.192 -7.121 937 HB3 CYS 51 HB1 CYS 51 7.030 17.939 -7.014 938 H ALA 52 HN ALA 52 9.258 19.345 -8.404 939 HA ALA 52 HA ALA 52 11.213 18.110 -6.707 940 HB1 ALA 52 HB1 ALA 52 12.086 19.331 -9.326 941 HB2 ALA 52 HB2 ALA 52 12.135 17.614 -8.921 942 HB3 ALA 52 HB3 ALA 52 13.151 18.758 -8.043 943 H ASN 53 HN ASN 53 12.318 19.575 -5.451 944 HA ASN 53 HA ASN 53 11.070 22.164 -5.241 945 HB2 ASN 53 HB2 ASN 53 13.406 21.103 -3.626 946 HB3 ASN 53 HB1 ASN 53 12.352 22.453 -3.218 947 HD21 ASN 53 HD21 ASN 53 10.269 22.043 -2.463 948 HD22 ASN 53 HD22 ASN 53 9.808 20.482 -1.882 949 HA PRO 54 HA PRO 54 13.982 24.298 -7.797 950 HB2 PRO 54 HB2 PRO 54 13.493 26.826 -6.995 951 HB3 PRO 54 HB1 PRO 54 12.322 25.901 -7.944 952 HG2 PRO 54 HG2 PRO 54 12.424 26.325 -4.977 953 HG3 PRO 54 HG1 PRO 54 11.040 26.489 -6.075 954 HD2 PRO 54 HD2 PRO 54 11.404 24.281 -4.597 955 HD3 PRO 54 HD1 PRO 54 10.743 24.203 -6.244 956 H GLU 55 HN GLU 55 14.340 23.943 -4.503 957 HA GLU 55 HA GLU 55 16.563 25.761 -4.251 958 HB2 GLU 55 HB2 GLU 55 15.388 23.786 -2.300 959 HB3 GLU 55 HB1 GLU 55 16.714 24.878 -1.930 960 HG2 GLU 55 HG2 GLU 55 15.205 26.780 -2.483 961 HG3 GLU 55 HG1 GLU 55 13.887 25.617 -2.631 962 H LYS 56 HN LYS 56 16.312 22.944 -5.760 963 HA LYS 56 HA LYS 56 18.882 21.891 -4.836 964 HB2 LYS 56 HB2 LYS 56 16.744 20.706 -6.604 965 HB3 LYS 56 HB1 LYS 56 18.324 19.966 -6.395 966 HG2 LYS 56 HG2 LYS 56 16.355 20.505 -4.177 967 HG3 LYS 56 HG1 LYS 56 16.601 18.949 -4.973 968 HD2 LYS 56 HD2 LYS 56 18.930 18.927 -4.215 969 HD3 LYS 56 HD1 LYS 56 18.694 20.489 -3.433 970 HE2 LYS 56 HE2 LYS 56 17.029 19.508 -1.948 971 HE3 LYS 56 HE1 LYS 56 17.221 17.948 -2.747 972 HZ1 LYS 56 HZ1 LYS 56 18.475 18.117 -0.659 973 HZ2 LYS 56 HZ2 LYS 56 19.387 19.384 -1.305 974 HZ3 LYS 56 HZ3 LYS 56 19.483 17.841 -1.984 975 H LYS 57 HN LYS 57 20.670 21.858 -6.108 976 HA LYS 57 HA LYS 57 20.979 23.880 -7.989 977 HB2 LYS 57 HB2 LYS 57 22.861 22.941 -6.748 978 HB3 LYS 57 HB1 LYS 57 22.691 21.421 -7.615 979 HG2 LYS 57 HG2 LYS 57 23.219 22.573 -9.719 980 HG3 LYS 57 HG1 LYS 57 23.419 24.082 -8.831 981 HD2 LYS 57 HD2 LYS 57 25.033 21.578 -8.367 982 HD3 LYS 57 HD1 LYS 57 25.562 22.945 -9.348 983 HE2 LYS 57 HE2 LYS 57 25.342 24.400 -7.351 984 HE3 LYS 57 HE1 LYS 57 24.937 22.975 -6.396 985 HZ1 LYS 57 HZ1 LYS 57 27.482 23.384 -7.864 986 HZ2 LYS 57 HZ2 LYS 57 27.099 22.049 -6.900 987 HZ3 LYS 57 HZ3 LYS 57 27.273 23.576 -6.199 988 H TRP 58 HN TRP 58 20.420 20.429 -8.514 989 HA TRP 58 HA TRP 58 20.859 20.463 -11.299 990 HB2 TRP 58 HB2 TRP 58 19.299 18.583 -9.539 991 HB3 TRP 58 HB1 TRP 58 19.425 18.348 -11.280 992 HD1 TRP 58 HD1 TRP 58 21.286 17.754 -8.082 993 HE1 TRP 58 HE1 TRP 58 23.571 16.677 -8.596 994 HE3 TRP 58 HE3 TRP 58 21.374 18.415 -13.151 995 HZ2 TRP 58 HZ2 TRP 58 25.189 16.177 -10.854 996 HZ3 TRP 58 HZ3 TRP 58 23.327 17.612 -14.412 997 HH2 TRP 58 HH2 TRP 58 25.194 16.518 -13.286 998 H VAL 59 HN VAL 59 18.069 21.161 -9.370 999 HA VAL 59 HA VAL 59 16.159 21.195 -11.466 1000 HB VAL 59 HB VAL 59 16.185 22.662 -8.809 1001 HG11 VAL 59 HG11 VAL 59 14.651 23.727 -10.388 1002 HG12 VAL 59 HG12 VAL 59 13.773 22.907 -9.094 1003 HG13 VAL 59 HG13 VAL 59 13.878 22.171 -10.685 1004 HG21 VAL 59 HG21 VAL 59 14.720 20.864 -8.048 1005 HG22 VAL 59 HG22 VAL 59 16.272 20.229 -8.599 1006 HG23 VAL 59 HG23 VAL 59 14.846 20.087 -9.625 1007 H GLN 60 HN GLN 60 18.247 23.581 -9.979 1008 HA GLN 60 HA GLN 60 17.354 25.810 -11.469 1009 HB2 GLN 60 HB2 GLN 60 19.991 25.326 -10.078 1010 HB3 GLN 60 HB1 GLN 60 19.422 26.882 -10.665 1011 HG2 GLN 60 HG2 GLN 60 18.013 25.237 -8.583 1012 HG3 GLN 60 HG1 GLN 60 19.141 26.537 -8.222 1013 HE21 GLN 60 HE21 GLN 60 15.989 25.717 -9.365 1014 HE22 GLN 60 HE22 GLN 60 15.330 27.313 -9.335 1015 H GLU 61 HN GLU 61 19.901 23.408 -11.903 1016 HA GLU 61 HA GLU 61 21.135 24.601 -14.116 1017 HB2 GLU 61 HB2 GLU 61 20.915 21.684 -13.374 1018 HB3 GLU 61 HB1 GLU 61 22.031 22.349 -14.558 1019 HG2 GLU 61 HG2 GLU 61 21.986 23.027 -11.636 1020 HG3 GLU 61 HG1 GLU 61 23.091 21.897 -12.404 1021 H TYR 62 HN TYR 62 18.541 22.244 -13.810 1022 HA TYR 62 HA TYR 62 18.231 21.851 -16.604 1023 HB2 TYR 62 HB2 TYR 62 16.313 21.404 -14.311 1024 HB3 TYR 62 HB1 TYR 62 15.954 20.958 -15.974 1025 HD1 TYR 62 HD1 TYR 62 19.340 20.425 -15.703 1026 HD2 TYR 62 HD2 TYR 62 15.670 18.792 -14.329 1027 HE1 TYR 62 HE1 TYR 62 20.448 18.263 -15.333 1028 HE2 TYR 62 HE2 TYR 62 16.779 16.636 -13.935 1029 HH TYR 62 HH TYR 62 18.695 15.428 -14.626 1030 H ILE 63 HN ILE 63 16.670 23.956 -14.272 1031 HA ILE 63 HA ILE 63 14.818 25.075 -16.088 1032 HB ILE 63 HB ILE 63 15.971 26.085 -13.496 1033 HG12 ILE 63 HG12 ILE 63 13.201 25.161 -14.282 1034 HG13 ILE 63 HG11 ILE 63 14.389 24.204 -13.405 1035 HG21 ILE 63 HG21 ILE 63 13.895 27.456 -15.198 1036 HG22 ILE 63 HG22 ILE 63 15.520 28.045 -14.839 1037 HG23 ILE 63 HG23 ILE 63 14.326 27.906 -13.546 1038 HD11 ILE 63 HD11 ILE 63 13.150 26.764 -12.434 1039 HD12 ILE 63 HD12 ILE 63 14.291 25.753 -11.546 1040 HD13 ILE 63 HD13 ILE 63 12.685 25.140 -11.938 1041 H ASN 64 HN ASN 64 18.005 26.137 -15.050 1042 HA ASN 64 HA ASN 64 18.013 28.517 -16.558 1043 HB2 ASN 64 HB2 ASN 64 19.779 28.899 -15.241 1044 HB3 ASN 64 HB1 ASN 64 19.742 27.231 -14.693 1045 HD21 ASN 64 HD21 ASN 64 21.105 25.733 -15.665 1046 HD22 ASN 64 HD22 ASN 64 22.492 26.211 -16.581 1047 H TYR 65 HN TYR 65 18.973 25.223 -17.289 1048 HA TYR 65 HA TYR 65 20.255 25.995 -19.743 1049 HB2 TYR 65 HB2 TYR 65 20.788 23.908 -18.336 1050 HB3 TYR 65 HB1 TYR 65 19.357 23.209 -19.095 1051 HD1 TYR 65 HD1 TYR 65 22.635 24.764 -19.869 1052 HD2 TYR 65 HD2 TYR 65 19.496 22.235 -21.230 1053 HE1 TYR 65 HE1 TYR 65 23.982 24.161 -21.829 1054 HE2 TYR 65 HE2 TYR 65 20.840 21.623 -23.198 1055 HH TYR 65 HH TYR 65 24.167 22.400 -23.458 1056 H LEU 66 HN LEU 66 17.108 24.696 -18.803 1057 HA LEU 66 HA LEU 66 16.250 24.304 -21.494 1058 HB2 LEU 66 HB2 LEU 66 14.679 24.472 -18.924 1059 HB3 LEU 66 HB1 LEU 66 13.976 24.065 -20.476 1060 HG LEU 66 HG LEU 66 16.116 22.461 -19.093 1061 HD11 LEU 66 HD11 LEU 66 14.059 22.443 -17.809 1062 HD12 LEU 66 HD12 LEU 66 14.310 20.885 -18.591 1063 HD13 LEU 66 HD13 LEU 66 13.141 22.024 -19.253 1064 HD21 LEU 66 HD21 LEU 66 15.532 20.746 -20.736 1065 HD22 LEU 66 HD22 LEU 66 16.104 22.212 -21.528 1066 HD23 LEU 66 HD23 LEU 66 14.379 21.849 -21.484 1067 H GLU 67 HN GLU 67 16.016 26.955 -19.195 1068 HA GLU 67 HA GLU 67 14.151 28.456 -20.722 1069 HB2 GLU 67 HB2 GLU 67 14.609 30.292 -19.240 1070 HB3 GLU 67 HB1 GLU 67 14.606 28.813 -18.285 1071 HG2 GLU 67 HG2 GLU 67 16.955 28.796 -18.136 1072 HG3 GLU 67 HG1 GLU 67 17.103 30.099 -19.310 1073 H MET 68 HN MET 68 17.636 28.167 -20.744 1074 HA MET 68 HA MET 68 17.936 30.420 -22.541 1075 HB2 MET 68 HB2 MET 68 20.309 29.971 -22.510 1076 HB3 MET 68 HB1 MET 68 19.701 29.910 -20.864 1077 HG2 MET 68 HG2 MET 68 19.702 27.473 -20.950 1078 HG3 MET 68 HG1 MET 68 20.306 27.532 -22.605 1079 HE1 MET 68 HE1 MET 68 22.400 29.943 -22.467 1080 HE2 MET 68 HE2 MET 68 22.727 28.408 -23.269 1081 HE3 MET 68 HE3 MET 68 23.884 29.061 -22.110 1082 H SER 69 HN SER 69 17.463 27.036 -22.705 1083 HA SER 69 HA SER 69 17.283 25.555 -24.381 1084 HB2 SER 69 HB2 SER 69 16.614 28.044 -25.942 1085 HB3 SER 69 HB1 SER 69 16.224 26.391 -26.425 1086 HG SER 69 HG SER 69 15.345 26.824 -23.924 Start of MODEL 8 1 H1 MET 1 HT1 MET 1 -0.963 2.266 -9.824 2 HA MET 1 HA MET 1 -1.935 1.286 -7.219 3 HB2 MET 1 HB2 MET 1 0.418 0.445 -8.919 4 HB3 MET 1 HB1 MET 1 0.306 0.086 -7.206 5 HG2 MET 1 HG2 MET 1 -0.401 -1.850 -8.357 6 HG3 MET 1 HG1 MET 1 -1.847 -1.106 -7.687 7 HE1 MET 1 HE1 MET 1 -0.654 -1.075 -12.151 8 HE2 MET 1 HE2 MET 1 0.195 -1.973 -10.893 9 HE3 MET 1 HE3 MET 1 0.273 -0.213 -10.923 10 H SER 2 HN SER 2 -0.915 3.921 -8.650 11 HA SER 2 HA SER 2 0.168 5.807 -8.072 12 HB2 SER 2 HB2 SER 2 0.002 4.670 -5.275 13 HB3 SER 2 HB1 SER 2 0.328 6.355 -5.685 14 HG SER 2 HG SER 2 -2.022 4.913 -6.385 15 HA PRO 3 HA PRO 3 4.345 3.962 -7.964 16 HB2 PRO 3 HB2 PRO 3 5.257 5.097 -10.226 17 HB3 PRO 3 HB1 PRO 3 4.255 3.642 -10.255 18 HG2 PRO 3 HG2 PRO 3 3.505 6.471 -10.824 19 HG3 PRO 3 HG1 PRO 3 2.941 4.982 -11.598 20 HD2 PRO 3 HD2 PRO 3 1.556 6.400 -9.652 21 HD3 PRO 3 HD1 PRO 3 1.272 4.700 -10.071 22 H TYR 4 HN TYR 4 6.399 4.999 -7.659 23 HA TYR 4 HA TYR 4 6.129 7.607 -6.456 24 HB2 TYR 4 HB2 TYR 4 8.410 5.641 -6.591 25 HB3 TYR 4 HB1 TYR 4 8.590 7.248 -5.897 26 HD1 TYR 4 HD1 TYR 4 7.335 3.890 -5.381 27 HD2 TYR 4 HD2 TYR 4 7.286 7.864 -3.871 28 HE1 TYR 4 HE1 TYR 4 6.489 3.056 -3.229 29 HE2 TYR 4 HE2 TYR 4 6.441 7.043 -1.715 30 HH TYR 4 HH TYR 4 5.267 5.144 -0.805 31 H GLY 5 HN GLY 5 8.306 8.984 -6.825 32 HA2 GLY 5 HA2 GLY 5 9.792 9.534 -8.793 33 HA3 GLY 5 HA1 GLY 5 8.289 9.524 -9.713 34 H SER 6 HN SER 6 7.069 10.577 -7.082 35 HA SER 6 HA SER 6 6.498 12.525 -6.119 36 HB2 SER 6 HB2 SER 6 9.109 13.591 -7.222 37 HB3 SER 6 HB1 SER 6 8.107 14.374 -5.998 38 HG SER 6 HG SER 6 10.023 12.678 -5.564 39 H ASP 7 HN ASP 7 4.753 12.606 -7.563 40 HA ASP 7 HA ASP 7 5.072 14.643 -9.652 41 HB2 ASP 7 HB2 ASP 7 3.380 13.534 -10.977 42 HB3 ASP 7 HB1 ASP 7 4.655 12.390 -10.581 43 H THR 8 HN THR 8 2.670 15.351 -10.292 44 HA THR 8 HA THR 8 1.868 17.166 -8.431 45 HB THR 8 HB THR 8 -0.409 17.004 -9.708 46 HG1 THR 8 HG1 THR 8 0.542 14.840 -10.542 47 HG21 THR 8 HG21 THR 8 2.199 17.739 -11.049 48 HG22 THR 8 HG22 THR 8 1.234 18.783 -10.003 49 HG23 THR 8 HG23 THR 8 0.600 18.271 -11.567 50 H THR 9 HN THR 9 0.901 17.103 -6.575 51 HA THR 9 HA THR 9 -0.646 14.738 -5.824 52 HB THR 9 HB THR 9 0.429 16.938 -4.046 53 HG1 THR 9 HG1 THR 9 1.949 15.448 -5.348 54 HG21 THR 9 HG21 THR 9 0.140 15.263 -2.270 55 HG22 THR 9 HG22 THR 9 -0.522 14.130 -3.449 56 HG23 THR 9 HG23 THR 9 -1.390 15.618 -3.071 57 HA PRO 10 HA PRO 10 -4.143 17.474 -6.290 58 HB2 PRO 10 HB2 PRO 10 -5.869 15.298 -5.546 59 HB3 PRO 10 HB1 PRO 10 -5.586 15.980 -7.149 60 HG2 PRO 10 HG2 PRO 10 -4.805 13.452 -6.351 61 HG3 PRO 10 HG1 PRO 10 -4.123 14.347 -7.718 62 HD2 PRO 10 HD2 PRO 10 -3.039 13.952 -4.974 63 HD3 PRO 10 HD1 PRO 10 -2.194 14.086 -6.531 64 H CYS 11 HN CYS 11 -4.287 18.883 -4.649 65 HA CYS 11 HA CYS 11 -5.434 17.880 -2.131 66 HB2 CYS 11 HB2 CYS 11 -3.016 18.518 -1.874 67 HB3 CYS 11 HB1 CYS 11 -3.437 20.148 -2.385 68 H CYS 12 HN CYS 12 -6.772 19.553 -1.027 69 HA CYS 12 HA CYS 12 -7.414 21.929 -2.437 70 HB2 CYS 12 HB2 CYS 12 -9.734 21.350 -3.061 71 HB3 CYS 12 HB1 CYS 12 -8.536 20.430 -3.963 72 H PHE 13 HN PHE 13 -8.815 23.254 -1.398 73 HA PHE 13 HA PHE 13 -10.150 22.399 1.041 74 HB2 PHE 13 HB2 PHE 13 -7.918 23.255 1.770 75 HB3 PHE 13 HB1 PHE 13 -8.238 24.767 0.931 76 HD1 PHE 13 HD1 PHE 13 -9.387 22.611 3.712 77 HD2 PHE 13 HD2 PHE 13 -9.435 26.500 1.988 78 HE1 PHE 13 HE1 PHE 13 -10.439 23.498 5.750 79 HE2 PHE 13 HE2 PHE 13 -10.487 27.394 4.023 80 HZ PHE 13 HZ PHE 13 -10.990 25.892 5.909 81 H ALA 14 HN ALA 14 -12.004 22.663 -0.243 82 HA ALA 14 HA ALA 14 -12.791 25.431 -0.623 83 HB1 ALA 14 HB1 ALA 14 -11.808 24.761 -2.770 84 HB2 ALA 14 HB2 ALA 14 -13.540 25.069 -2.901 85 HB3 ALA 14 HB3 ALA 14 -12.940 23.410 -2.857 86 H TYR 15 HN TYR 15 -15.080 25.606 -1.138 87 HA TYR 15 HA TYR 15 -16.730 23.341 -0.410 88 HB2 TYR 15 HB2 TYR 15 -17.942 24.745 1.287 89 HB3 TYR 15 HB1 TYR 15 -16.306 24.308 1.763 90 HD1 TYR 15 HD1 TYR 15 -18.406 27.077 0.483 91 HD2 TYR 15 HD2 TYR 15 -14.650 25.971 2.151 92 HE1 TYR 15 HE1 TYR 15 -17.860 29.453 0.822 93 HE2 TYR 15 HE2 TYR 15 -14.096 28.340 2.494 94 HH TYR 15 HH TYR 15 -14.754 30.538 1.498 95 H LEU 16 HN LEU 16 -19.058 23.936 -0.721 96 HA LEU 16 HA LEU 16 -19.501 26.269 -2.370 97 HB2 LEU 16 HB2 LEU 16 -19.114 23.686 -3.495 98 HB3 LEU 16 HB1 LEU 16 -20.804 24.115 -3.677 99 HG LEU 16 HG LEU 16 -18.603 25.974 -4.524 100 HD11 LEU 16 HD11 LEU 16 -18.299 23.854 -5.715 101 HD12 LEU 16 HD12 LEU 16 -18.878 25.117 -6.800 102 HD13 LEU 16 HD13 LEU 16 -19.993 23.885 -6.206 103 HD21 LEU 16 HD21 LEU 16 -20.334 26.941 -5.923 104 HD22 LEU 16 HD22 LEU 16 -20.856 26.910 -4.239 105 HD23 LEU 16 HD23 LEU 16 -21.483 25.721 -5.378 106 H SER 17 HN SER 17 -21.295 27.168 -1.864 107 HA SER 17 HA SER 17 -23.127 25.884 -0.056 108 HB2 SER 17 HB2 SER 17 -23.228 28.601 -1.382 109 HB3 SER 17 HB1 SER 17 -24.264 28.072 -0.051 110 HG SER 17 HG SER 17 -21.967 29.252 0.167 111 H LEU 18 HN LEU 18 -22.837 26.431 -3.415 112 HA LEU 18 HA LEU 18 -25.559 25.436 -3.864 113 HB2 LEU 18 HB2 LEU 18 -23.748 26.972 -5.747 114 HB3 LEU 18 HB1 LEU 18 -25.303 26.310 -6.190 115 HG LEU 18 HG LEU 18 -25.657 28.608 -5.877 116 HD11 LEU 18 HD11 LEU 18 -27.386 27.247 -4.865 117 HD12 LEU 18 HD12 LEU 18 -27.180 28.767 -3.995 118 HD13 LEU 18 HD13 LEU 18 -26.524 27.274 -3.326 119 HD21 LEU 18 HD21 LEU 18 -23.605 29.193 -4.740 120 HD22 LEU 18 HD22 LEU 18 -24.161 28.397 -3.269 121 HD23 LEU 18 HD23 LEU 18 -24.985 29.842 -3.853 122 H ALA 19 HN ALA 19 -25.030 23.275 -3.589 123 HA ALA 19 HA ALA 19 -22.902 22.170 -5.251 124 HB1 ALA 19 HB1 ALA 19 -22.940 21.551 -2.885 125 HB2 ALA 19 HB2 ALA 19 -23.151 20.145 -3.928 126 HB3 ALA 19 HB3 ALA 19 -24.541 20.843 -3.096 127 H LEU 20 HN LEU 20 -23.230 20.395 -6.600 128 HA LEU 20 HA LEU 20 -25.700 20.440 -8.046 129 HB2 LEU 20 HB2 LEU 20 -24.542 18.683 -9.442 130 HB3 LEU 20 HB1 LEU 20 -23.739 20.235 -9.352 131 HG LEU 20 HG LEU 20 -22.359 19.070 -7.437 132 HD11 LEU 20 HD11 LEU 20 -23.643 17.010 -7.374 133 HD12 LEU 20 HD12 LEU 20 -21.973 16.701 -7.852 134 HD13 LEU 20 HD13 LEU 20 -23.252 16.701 -9.067 135 HD21 LEU 20 HD21 LEU 20 -21.420 19.951 -9.489 136 HD22 LEU 20 HD22 LEU 20 -21.931 18.508 -10.364 137 HD23 LEU 20 HD23 LEU 20 -20.703 18.387 -9.104 138 HA PRO 21 HA PRO 21 -27.777 17.103 -6.039 139 HB2 PRO 21 HB2 PRO 21 -29.173 15.989 -8.076 140 HB3 PRO 21 HB1 PRO 21 -29.578 17.564 -7.390 141 HG2 PRO 21 HG2 PRO 21 -28.039 16.923 -9.874 142 HG3 PRO 21 HG1 PRO 21 -29.293 18.150 -9.622 143 HD2 PRO 21 HD2 PRO 21 -26.652 18.744 -9.628 144 HD3 PRO 21 HD1 PRO 21 -27.827 19.626 -8.633 145 H ARG 22 HN ARG 22 -27.976 14.793 -5.852 146 HA ARG 22 HA ARG 22 -25.616 13.362 -6.364 147 HB2 ARG 22 HB2 ARG 22 -28.374 12.376 -5.642 148 HB3 ARG 22 HB1 ARG 22 -26.961 11.337 -5.724 149 HG2 ARG 22 HG2 ARG 22 -25.892 12.662 -3.971 150 HG3 ARG 22 HG1 ARG 22 -27.326 13.688 -3.886 151 HD2 ARG 22 HD2 ARG 22 -27.276 10.721 -3.388 152 HD3 ARG 22 HD1 ARG 22 -27.281 11.960 -2.135 153 HE ARG 22 HE ARG 22 -29.468 12.667 -3.271 154 HH11 ARG 22 HH11 ARG 22 -28.350 9.342 -3.139 155 HH12 ARG 22 HH12 ARG 22 -29.938 8.676 -3.021 156 HH21 ARG 22 HH21 ARG 22 -31.581 11.778 -3.102 157 HH22 ARG 22 HH22 ARG 22 -31.785 10.065 -2.999 158 H ALA 23 HN ALA 23 -28.576 13.659 -8.141 159 HA ALA 23 HA ALA 23 -28.201 11.547 -9.961 160 HB1 ALA 23 HB1 ALA 23 -29.840 12.685 -11.363 161 HB2 ALA 23 HB2 ALA 23 -29.656 14.153 -10.404 162 HB3 ALA 23 HB3 ALA 23 -30.342 12.702 -9.672 163 H HIS 24 HN HIS 24 -26.442 14.429 -9.616 164 HA HIS 24 HA HIS 24 -25.505 14.298 -12.382 165 HB2 HIS 24 HB2 HIS 24 -25.545 16.447 -10.317 166 HB3 HIS 24 HB1 HIS 24 -24.297 16.481 -11.551 167 HD1 HIS 24 HD1 HIS 24 -25.142 18.463 -12.865 168 HD2 HIS 24 HD2 HIS 24 -28.047 15.546 -12.310 169 HE1 HIS 24 HE1 HIS 24 -27.066 19.155 -14.311 170 H VAL 25 HN VAL 25 -24.611 13.532 -9.163 171 HA VAL 25 HA VAL 25 -21.769 13.620 -9.717 172 HB VAL 25 HB VAL 25 -22.920 14.069 -7.410 173 HG11 VAL 25 HG11 VAL 25 -23.093 12.183 -5.921 174 HG12 VAL 25 HG12 VAL 25 -22.548 11.089 -7.185 175 HG13 VAL 25 HG13 VAL 25 -24.115 11.894 -7.334 176 HG21 VAL 25 HG21 VAL 25 -20.428 12.389 -7.626 177 HG22 VAL 25 HG22 VAL 25 -20.891 13.362 -6.230 178 HG23 VAL 25 HG23 VAL 25 -20.524 14.144 -7.767 179 H LYS 26 HN LYS 26 -20.407 11.725 -9.569 180 HA LYS 26 HA LYS 26 -21.817 9.274 -10.383 181 HB2 LYS 26 HB2 LYS 26 -20.350 10.538 -12.097 182 HB3 LYS 26 HB1 LYS 26 -18.993 9.944 -11.157 183 HG2 LYS 26 HG2 LYS 26 -19.658 7.654 -11.583 184 HG3 LYS 26 HG1 LYS 26 -21.080 8.211 -12.465 185 HD2 LYS 26 HD2 LYS 26 -19.463 7.663 -14.110 186 HD3 LYS 26 HD1 LYS 26 -19.479 9.425 -14.014 187 HE2 LYS 26 HE2 LYS 26 -17.206 8.723 -14.099 188 HE3 LYS 26 HE1 LYS 26 -17.536 9.283 -12.463 189 HZ1 LYS 26 HZ1 LYS 26 -18.030 6.798 -12.019 190 HZ2 LYS 26 HZ2 LYS 26 -16.430 7.311 -12.082 191 HZ3 LYS 26 HZ3 LYS 26 -17.117 6.519 -13.414 192 H GLU 27 HN GLU 27 -18.966 10.590 -8.714 193 HA GLU 27 HA GLU 27 -19.096 8.467 -6.769 194 HB2 GLU 27 HB2 GLU 27 -16.801 7.670 -7.135 195 HB3 GLU 27 HB1 GLU 27 -17.793 7.401 -8.561 196 HG2 GLU 27 HG2 GLU 27 -16.842 9.495 -9.521 197 HG3 GLU 27 HG1 GLU 27 -15.736 9.549 -8.148 198 H TYR 28 HN TYR 28 -17.024 8.730 -5.263 199 HA TYR 28 HA TYR 28 -16.190 11.497 -5.010 200 HB2 TYR 28 HB2 TYR 28 -17.055 11.874 -2.883 201 HB3 TYR 28 HB1 TYR 28 -18.370 11.002 -3.653 202 HD1 TYR 28 HD1 TYR 28 -15.983 11.033 -0.958 203 HD2 TYR 28 HD2 TYR 28 -18.672 8.539 -3.113 204 HE1 TYR 28 HE1 TYR 28 -15.924 9.403 0.875 205 HE2 TYR 28 HE2 TYR 28 -18.623 6.898 -1.278 206 HH TYR 28 HH TYR 28 -17.105 6.254 0.584 207 H PHE 29 HN PHE 29 -14.361 11.717 -3.654 208 HA PHE 29 HA PHE 29 -13.160 9.364 -2.495 209 HB2 PHE 29 HB2 PHE 29 -12.148 10.583 -5.015 210 HB3 PHE 29 HB1 PHE 29 -10.955 10.060 -3.827 211 HD1 PHE 29 HD1 PHE 29 -12.832 9.087 -6.607 212 HD2 PHE 29 HD2 PHE 29 -11.386 7.625 -2.884 213 HE1 PHE 29 HE1 PHE 29 -13.057 6.782 -7.425 214 HE2 PHE 29 HE2 PHE 29 -11.604 5.317 -3.699 215 HZ PHE 29 HZ PHE 29 -12.442 4.892 -5.974 216 H TYR 30 HN TYR 30 -11.029 9.968 -1.453 217 HA TYR 30 HA TYR 30 -11.454 12.547 -0.147 218 HB2 TYR 30 HB2 TYR 30 -9.549 10.340 0.661 219 HB3 TYR 30 HB1 TYR 30 -10.056 11.716 1.632 220 HD1 TYR 30 HD1 TYR 30 -10.743 8.332 0.707 221 HD2 TYR 30 HD2 TYR 30 -12.509 11.842 2.334 222 HE1 TYR 30 HE1 TYR 30 -12.570 6.978 1.623 223 HE2 TYR 30 HE2 TYR 30 -14.349 10.494 3.258 224 HH TYR 30 HH TYR 30 -15.446 8.297 2.771 225 H THR 31 HN THR 31 -9.459 13.768 0.469 226 HA THR 31 HA THR 31 -7.858 14.220 -1.840 227 HB THR 31 HB THR 31 -6.656 15.831 -0.221 228 HG1 THR 31 HG1 THR 31 -7.290 15.773 1.782 229 HG21 THR 31 HG21 THR 31 -9.602 16.188 -0.747 230 HG22 THR 31 HG22 THR 31 -8.312 16.495 -1.908 231 HG23 THR 31 HG23 THR 31 -8.427 17.470 -0.443 232 H SER 32 HN SER 32 -5.395 14.674 -1.219 233 HA SER 32 HA SER 32 -4.297 12.076 -0.748 234 HB2 SER 32 HB2 SER 32 -2.861 14.712 -1.102 235 HB3 SER 32 HB1 SER 32 -2.198 13.097 -1.353 236 HG SER 32 HG SER 32 -3.980 14.570 -2.938 237 H SER 33 HN SER 33 -2.676 11.614 0.890 238 HA SER 33 HA SER 33 -3.414 12.641 3.447 239 HB2 SER 33 HB2 SER 33 -2.729 10.290 3.128 240 HB3 SER 33 HB1 SER 33 -1.108 10.828 2.696 241 HG SER 33 HG SER 33 -1.766 11.955 5.015 242 H LYS 34 HN LYS 34 -1.238 13.626 1.054 243 HA LYS 34 HA LYS 34 0.679 14.929 2.740 244 HB2 LYS 34 HB2 LYS 34 0.017 15.225 -0.190 245 HB3 LYS 34 HB1 LYS 34 1.291 16.137 0.601 246 HG2 LYS 34 HG2 LYS 34 1.168 13.135 0.388 247 HG3 LYS 34 HG1 LYS 34 2.153 14.199 -0.616 248 HD2 LYS 34 HD2 LYS 34 3.264 15.009 1.468 249 HD3 LYS 34 HD1 LYS 34 2.376 13.772 2.361 250 HE2 LYS 34 HE2 LYS 34 3.423 12.038 0.980 251 HE3 LYS 34 HE1 LYS 34 4.311 13.279 0.100 252 HZ1 LYS 34 HZ1 LYS 34 5.736 12.376 1.743 253 HZ2 LYS 34 HZ2 LYS 34 4.592 12.570 2.966 254 HZ3 LYS 34 HZ3 LYS 34 5.313 13.929 2.260 255 H CYS 35 HN CYS 35 -2.499 15.612 1.787 256 HA CYS 35 HA CYS 35 -2.423 18.422 1.639 257 HB2 CYS 35 HB2 CYS 35 -4.700 16.579 2.374 258 HB3 CYS 35 HB1 CYS 35 -4.866 18.287 1.981 259 H SER 36 HN SER 36 -2.929 19.990 3.137 260 HA SER 36 HA SER 36 -2.236 19.315 5.868 261 HB2 SER 36 HB2 SER 36 -2.847 22.016 4.652 262 HB3 SER 36 HB1 SER 36 -2.052 21.706 6.197 263 HG SER 36 HG SER 36 -0.709 20.354 4.396 264 H ASN 37 HN ASN 37 -4.965 19.016 4.280 265 HA ASN 37 HA ASN 37 -6.599 19.280 6.628 266 HB2 ASN 37 HB2 ASN 37 -8.331 20.652 5.551 267 HB3 ASN 37 HB1 ASN 37 -6.810 21.529 5.654 268 HD21 ASN 37 HD21 ASN 37 -9.097 19.993 3.541 269 HD22 ASN 37 HD22 ASN 37 -8.449 20.609 2.054 270 H LEU 38 HN LEU 38 -8.913 18.492 6.014 271 HA LEU 38 HA LEU 38 -8.546 16.226 4.177 272 HB2 LEU 38 HB2 LEU 38 -9.088 15.947 6.726 273 HB3 LEU 38 HB1 LEU 38 -10.713 16.383 6.251 274 HG LEU 38 HG LEU 38 -10.436 13.954 6.464 275 HD11 LEU 38 HD11 LEU 38 -11.343 13.262 4.304 276 HD12 LEU 38 HD12 LEU 38 -10.909 14.833 3.630 277 HD13 LEU 38 HD13 LEU 38 -12.108 14.726 4.918 278 HD21 LEU 38 HD21 LEU 38 -8.066 13.823 5.869 279 HD22 LEU 38 HD22 LEU 38 -8.469 14.190 4.192 280 HD23 LEU 38 HD23 LEU 38 -9.041 12.695 4.930 281 H ALA 39 HN ALA 39 -9.670 16.259 2.358 282 HA ALA 39 HA ALA 39 -12.279 17.546 2.303 283 HB1 ALA 39 HB1 ALA 39 -10.080 18.204 0.343 284 HB2 ALA 39 HB2 ALA 39 -10.734 19.292 1.567 285 HB3 ALA 39 HB3 ALA 39 -11.753 18.750 0.233 286 H VAL 40 HN VAL 40 -13.350 17.041 0.137 287 HA VAL 40 HA VAL 40 -12.376 14.471 -0.872 288 HB VAL 40 HB VAL 40 -14.666 13.639 -1.083 289 HG11 VAL 40 HG11 VAL 40 -14.037 14.491 1.733 290 HG12 VAL 40 HG12 VAL 40 -13.357 13.092 0.901 291 HG13 VAL 40 HG13 VAL 40 -15.083 13.154 1.249 292 HG21 VAL 40 HG21 VAL 40 -16.516 14.772 0.034 293 HG22 VAL 40 HG22 VAL 40 -15.835 15.753 -1.265 294 HG23 VAL 40 HG23 VAL 40 -15.454 16.128 0.417 295 H VAL 41 HN VAL 41 -13.112 13.924 -2.954 296 HA VAL 41 HA VAL 41 -13.708 16.275 -4.612 297 HB VAL 41 HB VAL 41 -12.053 13.854 -5.365 298 HG11 VAL 41 HG11 VAL 41 -12.623 16.388 -6.903 299 HG12 VAL 41 HG12 VAL 41 -13.290 14.795 -7.256 300 HG13 VAL 41 HG13 VAL 41 -11.557 15.082 -7.420 301 HG21 VAL 41 HG21 VAL 41 -10.864 15.283 -3.792 302 HG22 VAL 41 HG22 VAL 41 -11.195 16.692 -4.800 303 HG23 VAL 41 HG23 VAL 41 -10.150 15.404 -5.400 304 H PHE 42 HN PHE 42 -15.555 16.152 -5.643 305 HA PHE 42 HA PHE 42 -16.826 13.531 -5.972 306 HB2 PHE 42 HB2 PHE 42 -17.945 16.330 -6.028 307 HB3 PHE 42 HB1 PHE 42 -18.884 14.909 -6.455 308 HD1 PHE 42 HD1 PHE 42 -17.742 17.008 -3.817 309 HD2 PHE 42 HD2 PHE 42 -19.122 13.086 -4.700 310 HE1 PHE 42 HE1 PHE 42 -18.282 16.668 -1.445 311 HE2 PHE 42 HE2 PHE 42 -19.667 12.736 -2.334 312 HZ PHE 42 HZ PHE 42 -19.255 14.530 -0.698 313 H VAL 43 HN VAL 43 -16.911 12.645 -7.886 314 HA VAL 43 HA VAL 43 -16.292 14.305 -10.226 315 HB VAL 43 HB VAL 43 -16.082 11.306 -9.837 316 HG11 VAL 43 HG11 VAL 43 -15.131 11.229 -12.096 317 HG12 VAL 43 HG12 VAL 43 -15.486 12.946 -12.299 318 HG13 VAL 43 HG13 VAL 43 -16.804 11.788 -12.113 319 HG21 VAL 43 HG21 VAL 43 -13.678 11.686 -10.166 320 HG22 VAL 43 HG22 VAL 43 -14.295 12.572 -8.771 321 HG23 VAL 43 HG23 VAL 43 -13.975 13.422 -10.284 322 H THR 44 HN THR 44 -17.851 14.749 -11.591 323 HA THR 44 HA THR 44 -20.514 13.764 -11.130 324 HB THR 44 HB THR 44 -21.194 15.316 -12.876 325 HG1 THR 44 HG1 THR 44 -19.339 16.626 -13.765 326 HG21 THR 44 HG21 THR 44 -20.771 16.235 -10.646 327 HG22 THR 44 HG22 THR 44 -20.346 17.406 -11.894 328 HG23 THR 44 HG23 THR 44 -19.079 16.499 -11.067 329 H ARG 45 HN ARG 45 -21.843 13.380 -13.288 330 HA ARG 45 HA ARG 45 -20.905 10.914 -14.365 331 HB2 ARG 45 HB2 ARG 45 -23.191 12.633 -15.352 332 HB3 ARG 45 HB1 ARG 45 -22.923 10.949 -15.755 333 HG2 ARG 45 HG2 ARG 45 -23.617 12.041 -13.033 334 HG3 ARG 45 HG1 ARG 45 -24.697 11.174 -14.121 335 HD2 ARG 45 HD2 ARG 45 -22.248 10.100 -12.735 336 HD3 ARG 45 HD1 ARG 45 -23.924 9.665 -12.421 337 HE ARG 45 HE ARG 45 -23.071 9.145 -15.122 338 HH11 ARG 45 HH11 ARG 45 -23.293 7.845 -11.865 339 HH12 ARG 45 HH12 ARG 45 -23.122 6.205 -12.372 340 HH21 ARG 45 HH21 ARG 45 -22.846 6.969 -15.790 341 HH22 ARG 45 HH22 ARG 45 -22.858 5.700 -14.612 342 H ARG 46 HN ARG 46 -20.230 14.082 -15.103 343 HA ARG 46 HA ARG 46 -19.568 13.512 -17.909 344 HB2 ARG 46 HB2 ARG 46 -20.128 16.016 -16.387 345 HB3 ARG 46 HB1 ARG 46 -19.007 16.112 -17.735 346 HG2 ARG 46 HG2 ARG 46 -21.216 16.712 -18.462 347 HG3 ARG 46 HG1 ARG 46 -20.740 15.192 -19.214 348 HD2 ARG 46 HD2 ARG 46 -22.051 13.972 -17.543 349 HD3 ARG 46 HD1 ARG 46 -22.536 15.502 -16.816 350 HE ARG 46 HE ARG 46 -23.201 15.624 -19.514 351 HH11 ARG 46 HH11 ARG 46 -24.188 13.779 -16.692 352 HH12 ARG 46 HH12 ARG 46 -25.791 13.499 -17.278 353 HH21 ARG 46 HH21 ARG 46 -25.319 15.246 -20.292 354 HH22 ARG 46 HH22 ARG 46 -26.431 14.330 -19.340 355 H ASN 47 HN ASN 47 -18.222 12.929 -15.175 356 HA ASN 47 HA ASN 47 -16.147 12.580 -14.410 357 HB2 ASN 47 HB2 ASN 47 -15.388 13.220 -17.256 358 HB3 ASN 47 HB1 ASN 47 -14.209 12.748 -16.036 359 HD21 ASN 47 HD21 ASN 47 -16.679 11.701 -18.169 360 HD22 ASN 47 HD22 ASN 47 -16.551 10.010 -17.832 361 H ARG 48 HN ARG 48 -17.421 15.335 -14.520 362 HA ARG 48 HA ARG 48 -15.024 16.980 -14.280 363 HB2 ARG 48 HB2 ARG 48 -17.075 17.975 -15.283 364 HB3 ARG 48 HB1 ARG 48 -17.906 17.741 -13.748 365 HG2 ARG 48 HG2 ARG 48 -16.297 19.233 -12.655 366 HG3 ARG 48 HG1 ARG 48 -15.495 19.487 -14.202 367 HD2 ARG 48 HD2 ARG 48 -17.549 20.469 -15.102 368 HD3 ARG 48 HD1 ARG 48 -18.355 20.200 -13.555 369 HE ARG 48 HE ARG 48 -15.957 21.713 -13.251 370 HH11 ARG 48 HH11 ARG 48 -19.323 22.019 -14.208 371 HH12 ARG 48 HH12 ARG 48 -19.421 23.689 -13.770 372 HH21 ARG 48 HH21 ARG 48 -16.083 23.906 -12.684 373 HH22 ARG 48 HH22 ARG 48 -17.566 24.775 -12.892 374 H GLN 49 HN GLN 49 -14.108 17.544 -12.398 375 HA GLN 49 HA GLN 49 -15.207 16.218 -10.035 376 HB2 GLN 49 HB2 GLN 49 -12.871 16.534 -9.139 377 HB3 GLN 49 HB1 GLN 49 -13.050 15.399 -10.466 378 HG2 GLN 49 HG2 GLN 49 -12.289 17.116 -12.022 379 HG3 GLN 49 HG1 GLN 49 -12.068 18.231 -10.673 380 HE21 GLN 49 HE21 GLN 49 -11.164 16.066 -8.931 381 HE22 GLN 49 HE22 GLN 49 -9.535 15.735 -9.416 382 H VAL 50 HN VAL 50 -15.192 17.217 -8.041 383 HA VAL 50 HA VAL 50 -14.716 20.089 -7.908 384 HB VAL 50 HB VAL 50 -17.118 19.808 -8.477 385 HG11 VAL 50 HG11 VAL 50 -18.655 18.768 -6.920 386 HG12 VAL 50 HG12 VAL 50 -17.290 18.272 -5.915 387 HG13 VAL 50 HG13 VAL 50 -17.466 17.619 -7.544 388 HG21 VAL 50 HG21 VAL 50 -16.453 21.712 -7.112 389 HG22 VAL 50 HG22 VAL 50 -16.640 20.743 -5.651 390 HG23 VAL 50 HG23 VAL 50 -18.051 21.137 -6.635 391 H CYS 51 HN CYS 51 -13.991 20.720 -5.909 392 HA CYS 51 HA CYS 51 -13.597 18.569 -3.952 393 HB2 CYS 51 HB2 CYS 51 -12.173 21.188 -4.359 394 HB3 CYS 51 HB1 CYS 51 -11.897 20.140 -2.972 395 H ALA 52 HN ALA 52 -14.317 18.693 -1.910 396 HA ALA 52 HA ALA 52 -15.432 21.175 -0.899 397 HB1 ALA 52 HB1 ALA 52 -17.597 20.190 -0.369 398 HB2 ALA 52 HB2 ALA 52 -17.116 18.687 -1.155 399 HB3 ALA 52 HB3 ALA 52 -17.306 20.159 -2.109 400 H ASN 53 HN ASN 53 -15.343 21.308 1.299 401 HA ASN 53 HA ASN 53 -13.860 19.275 2.686 402 HB2 ASN 53 HB2 ASN 53 -15.159 21.792 3.768 403 HB3 ASN 53 HB1 ASN 53 -14.049 20.762 4.659 404 HD21 ASN 53 HD21 ASN 53 -11.830 20.642 3.894 405 HD22 ASN 53 HD22 ASN 53 -11.166 21.975 3.031 406 HA PRO 54 HA PRO 54 -17.217 16.744 3.991 407 HB2 PRO 54 HB2 PRO 54 -16.131 15.752 6.301 408 HB3 PRO 54 HB1 PRO 54 -15.693 15.190 4.684 409 HG2 PRO 54 HG2 PRO 54 -14.321 17.200 6.422 410 HG3 PRO 54 HG1 PRO 54 -13.613 15.861 5.496 411 HD2 PRO 54 HD2 PRO 54 -13.509 18.348 4.575 412 HD3 PRO 54 HD1 PRO 54 -13.837 16.991 3.475 413 H GLU 55 HN GLU 55 -16.187 19.435 5.832 414 HA GLU 55 HA GLU 55 -17.867 19.154 8.083 415 HB2 GLU 55 HB2 GLU 55 -16.912 21.703 6.774 416 HB3 GLU 55 HB1 GLU 55 -17.573 21.565 8.395 417 HG2 GLU 55 HG2 GLU 55 -15.658 20.035 8.932 418 HG3 GLU 55 HG1 GLU 55 -14.970 20.479 7.369 419 H LYS 56 HN LYS 56 -18.462 20.020 4.825 420 HA LYS 56 HA LYS 56 -20.960 21.350 5.265 421 HB2 LYS 56 HB2 LYS 56 -19.564 20.259 2.839 422 HB3 LYS 56 HB1 LYS 56 -21.213 20.859 2.742 423 HG2 LYS 56 HG2 LYS 56 -18.880 22.484 3.737 424 HG3 LYS 56 HG1 LYS 56 -19.465 22.500 2.071 425 HD2 LYS 56 HD2 LYS 56 -21.695 23.194 2.907 426 HD3 LYS 56 HD1 LYS 56 -21.025 23.279 4.535 427 HE2 LYS 56 HE2 LYS 56 -19.470 25.005 3.830 428 HE3 LYS 56 HE1 LYS 56 -20.060 24.885 2.172 429 HZ1 LYS 56 HZ1 LYS 56 -21.671 25.721 4.520 430 HZ2 LYS 56 HZ2 LYS 56 -22.229 25.621 2.930 431 HZ3 LYS 56 HZ3 LYS 56 -21.047 26.757 3.339 432 H LYS 57 HN LYS 57 -22.929 20.482 5.453 433 HA LYS 57 HA LYS 57 -23.250 17.750 5.991 434 HB2 LYS 57 HB2 LYS 57 -24.757 19.539 6.849 435 HB3 LYS 57 HB1 LYS 57 -25.418 19.716 5.231 436 HG2 LYS 57 HG2 LYS 57 -26.877 18.374 6.652 437 HG3 LYS 57 HG1 LYS 57 -26.252 17.429 5.300 438 HD2 LYS 57 HD2 LYS 57 -24.535 16.469 6.783 439 HD3 LYS 57 HD1 LYS 57 -25.198 17.393 8.131 440 HE2 LYS 57 HE2 LYS 57 -26.727 15.353 6.525 441 HE3 LYS 57 HE1 LYS 57 -25.936 15.020 8.064 442 HZ1 LYS 57 HZ1 LYS 57 -27.363 16.647 9.118 443 HZ2 LYS 57 HZ2 LYS 57 -28.294 15.471 8.337 444 HZ3 LYS 57 HZ3 LYS 57 -28.111 16.999 7.643 445 H TRP 58 HN TRP 58 -23.615 19.617 3.064 446 HA TRP 58 HA TRP 58 -24.979 17.813 1.428 447 HB2 TRP 58 HB2 TRP 58 -22.732 19.732 0.762 448 HB3 TRP 58 HB1 TRP 58 -23.640 18.846 -0.451 449 HD1 TRP 58 HD1 TRP 58 -24.071 21.667 2.129 450 HE1 TRP 58 HE1 TRP 58 -26.071 23.119 1.404 451 HE3 TRP 58 HE3 TRP 58 -25.751 18.832 -1.777 452 HZ2 TRP 58 HZ2 TRP 58 -28.090 23.058 -0.560 453 HZ3 TRP 58 HZ3 TRP 58 -27.722 19.602 -3.030 454 HH2 TRP 58 HH2 TRP 58 -28.866 21.674 -2.431 455 H VAL 59 HN VAL 59 -21.608 18.117 2.259 456 HA VAL 59 HA VAL 59 -20.644 16.118 0.518 457 HB VAL 59 HB VAL 59 -19.426 17.207 3.066 458 HG11 VAL 59 HG11 VAL 59 -18.380 15.124 2.497 459 HG12 VAL 59 HG12 VAL 59 -17.289 16.440 2.051 460 HG13 VAL 59 HG13 VAL 59 -18.230 15.615 0.813 461 HG21 VAL 59 HG21 VAL 59 -19.896 18.917 1.372 462 HG22 VAL 59 HG22 VAL 59 -18.965 17.993 0.194 463 HG23 VAL 59 HG23 VAL 59 -18.165 18.678 1.609 464 H GLN 60 HN GLN 60 -21.741 16.149 3.837 465 HA GLN 60 HA GLN 60 -20.998 13.504 4.482 466 HB2 GLN 60 HB2 GLN 60 -23.230 15.210 5.589 467 HB3 GLN 60 HB1 GLN 60 -22.634 13.726 6.316 468 HG2 GLN 60 HG2 GLN 60 -20.968 16.183 5.871 469 HG3 GLN 60 HG1 GLN 60 -21.796 15.806 7.376 470 HE21 GLN 60 HE21 GLN 60 -19.139 15.080 5.316 471 HE22 GLN 60 HE22 GLN 60 -18.306 14.026 6.403 472 H GLU 61 HN GLU 61 -23.950 14.951 3.202 473 HA GLU 61 HA GLU 61 -25.457 12.574 3.178 474 HB2 GLU 61 HB2 GLU 61 -25.722 14.983 1.390 475 HB3 GLU 61 HB1 GLU 61 -26.912 13.707 1.631 476 HG2 GLU 61 HG2 GLU 61 -25.906 15.462 3.841 477 HG3 GLU 61 HG1 GLU 61 -27.333 15.829 2.883 478 H TYR 62 HN TYR 62 -23.446 14.154 0.771 479 HA TYR 62 HA TYR 62 -24.098 12.246 -1.239 480 HB2 TYR 62 HB2 TYR 62 -22.022 14.411 -1.074 481 HB3 TYR 62 HB1 TYR 62 -22.050 13.276 -2.423 482 HD1 TYR 62 HD1 TYR 62 -24.484 15.377 -0.522 483 HD2 TYR 62 HD2 TYR 62 -23.182 13.984 -4.315 484 HE1 TYR 62 HE1 TYR 62 -26.236 16.701 -1.587 485 HE2 TYR 62 HE2 TYR 62 -24.941 15.321 -5.402 486 HH TYR 62 HH TYR 62 -26.473 17.758 -4.099 487 H ILE 63 HN ILE 63 -21.536 12.506 1.132 488 HA ILE 63 HA ILE 63 -20.007 10.373 0.054 489 HB ILE 63 HB ILE 63 -20.094 11.624 2.798 490 HG12 ILE 63 HG12 ILE 63 -17.966 11.569 0.645 491 HG13 ILE 63 HG11 ILE 63 -19.037 12.920 1.001 492 HG21 ILE 63 HG21 ILE 63 -18.160 10.268 3.433 493 HG22 ILE 63 HG22 ILE 63 -18.284 9.379 1.915 494 HG23 ILE 63 HG23 ILE 63 -19.573 9.261 3.112 495 HD11 ILE 63 HD11 ILE 63 -16.887 13.336 1.966 496 HD12 ILE 63 HD12 ILE 63 -16.912 11.782 2.799 497 HD13 ILE 63 HD13 ILE 63 -18.048 13.050 3.261 498 H ASN 64 HN ASN 64 -22.480 10.559 2.595 499 HA ASN 64 HA ASN 64 -22.320 7.824 3.243 500 HB2 ASN 64 HB2 ASN 64 -23.857 8.283 4.870 501 HB3 ASN 64 HB1 ASN 64 -23.439 9.936 4.451 502 HD21 ASN 64 HD21 ASN 64 -24.929 11.228 3.881 503 HD22 ASN 64 HD22 ASN 64 -26.575 10.832 3.511 504 H TYR 65 HN TYR 65 -24.235 9.611 0.926 505 HA TYR 65 HA TYR 65 -25.842 7.328 0.258 506 HB2 TYR 65 HB2 TYR 65 -25.607 10.089 -0.861 507 HB3 TYR 65 HB1 TYR 65 -26.441 8.846 -1.783 508 HD1 TYR 65 HD1 TYR 65 -26.918 11.430 0.487 509 HD2 TYR 65 HD2 TYR 65 -28.180 7.439 -0.263 510 HE1 TYR 65 HE1 TYR 65 -28.952 11.833 1.804 511 HE2 TYR 65 HE2 TYR 65 -30.219 7.830 1.051 512 HH TYR 65 HH TYR 65 -30.994 9.327 2.840 513 H LEU 66 HN LEU 66 -22.939 8.819 -1.088 514 HA LEU 66 HA LEU 66 -23.006 7.069 -3.371 515 HB2 LEU 66 HB2 LEU 66 -20.880 8.954 -2.381 516 HB3 LEU 66 HB1 LEU 66 -20.692 7.957 -3.810 517 HG LEU 66 HG LEU 66 -22.758 10.108 -3.404 518 HD11 LEU 66 HD11 LEU 66 -20.282 10.003 -5.116 519 HD12 LEU 66 HD12 LEU 66 -20.523 10.998 -3.680 520 HD13 LEU 66 HD13 LEU 66 -21.481 11.294 -5.128 521 HD21 LEU 66 HD21 LEU 66 -23.616 8.310 -4.810 522 HD22 LEU 66 HD22 LEU 66 -22.161 8.372 -5.803 523 HD23 LEU 66 HD23 LEU 66 -23.272 9.740 -5.780 524 H GLU 67 HN GLU 67 -21.601 6.914 -0.178 525 HA GLU 67 HA GLU 67 -19.768 4.832 -0.837 526 HB2 GLU 67 HB2 GLU 67 -19.415 4.553 1.517 527 HB3 GLU 67 HB1 GLU 67 -19.575 6.275 1.203 528 HG2 GLU 67 HG2 GLU 67 -21.813 6.269 2.060 529 HG3 GLU 67 HG1 GLU 67 -21.766 4.520 2.268 530 H MET 68 HN MET 68 -23.132 4.956 -0.015 531 HA MET 68 HA MET 68 -23.309 2.050 0.178 532 HB2 MET 68 HB2 MET 68 -25.665 2.392 0.683 533 HB3 MET 68 HB1 MET 68 -24.673 3.396 1.729 534 HG2 MET 68 HG2 MET 68 -25.222 5.357 0.465 535 HG3 MET 68 HG1 MET 68 -26.032 4.390 -0.766 536 HE1 MET 68 HE1 MET 68 -26.153 5.727 2.919 537 HE2 MET 68 HE2 MET 68 -26.231 3.984 3.171 538 HE3 MET 68 HE3 MET 68 -27.633 4.990 3.530 539 H SER 69 HN SER 69 -23.283 4.379 -2.152 540 HA SER 69 HA SER 69 -23.752 4.538 -4.332 541 HB2 SER 69 HB2 SER 69 -23.953 1.542 -4.155 542 HB3 SER 69 HB1 SER 69 -23.712 2.481 -5.630 543 HG SER 69 HG SER 69 -21.909 1.703 -3.745 544 H1 MET 1 HT1 MET 1 -8.647 28.304 -18.484 545 HA MET 1 HA MET 1 -7.925 31.049 -17.669 546 HB2 MET 1 HB2 MET 1 -10.595 29.869 -18.476 547 HB3 MET 1 HB1 MET 1 -10.372 31.474 -17.804 548 HG2 MET 1 HG2 MET 1 -10.595 31.783 -20.113 549 HG3 MET 1 HG1 MET 1 -8.875 31.956 -19.783 550 HE1 MET 1 HE1 MET 1 -11.698 29.734 -21.288 551 HE2 MET 1 HE2 MET 1 -11.056 28.643 -20.061 552 HE3 MET 1 HE3 MET 1 -10.833 28.276 -21.770 553 H SER 2 HN SER 2 -9.620 28.046 -16.905 554 HA SER 2 HA SER 2 -10.242 27.069 -14.980 555 HB2 SER 2 HB2 SER 2 -8.368 29.033 -13.633 556 HB3 SER 2 HB1 SER 2 -8.999 27.544 -12.929 557 HG SER 2 HG SER 2 -7.903 26.391 -14.569 558 HA PRO 3 HA PRO 3 -13.327 30.311 -14.088 559 HB2 PRO 3 HB2 PRO 3 -15.498 28.888 -14.715 560 HB3 PRO 3 HB1 PRO 3 -14.473 29.584 -15.976 561 HG2 PRO 3 HG2 PRO 3 -14.597 26.771 -14.972 562 HG3 PRO 3 HG1 PRO 3 -14.437 27.362 -16.636 563 HD2 PRO 3 HD2 PRO 3 -12.336 26.479 -15.069 564 HD3 PRO 3 HD1 PRO 3 -12.170 27.564 -16.463 565 H TYR 4 HN TYR 4 -15.592 29.816 -12.835 566 HA TYR 4 HA TYR 4 -14.774 28.852 -10.288 567 HB2 TYR 4 HB2 TYR 4 -17.303 30.016 -11.371 568 HB3 TYR 4 HB1 TYR 4 -17.341 29.175 -9.826 569 HD1 TYR 4 HD1 TYR 4 -16.503 32.241 -11.514 570 HD2 TYR 4 HD2 TYR 4 -15.812 29.970 -7.985 571 HE1 TYR 4 HE1 TYR 4 -15.687 34.266 -10.374 572 HE2 TYR 4 HE2 TYR 4 -14.999 31.981 -6.837 573 HH TYR 4 HH TYR 4 -13.994 34.163 -7.459 574 H GLY 5 HN GLY 5 -15.343 27.069 -9.194 575 HA2 GLY 5 HA2 GLY 5 -17.253 25.175 -9.801 576 HA3 GLY 5 HA1 GLY 5 -15.806 24.713 -10.692 577 H SER 6 HN SER 6 -13.914 25.677 -8.861 578 HA SER 6 HA SER 6 -12.743 25.183 -7.008 579 HB2 SER 6 HB2 SER 6 -15.361 24.281 -5.796 580 HB3 SER 6 HB1 SER 6 -13.887 24.706 -4.927 581 HG SER 6 HG SER 6 -15.847 26.303 -5.957 582 H ASP 7 HN ASP 7 -11.618 23.543 -8.115 583 HA ASP 7 HA ASP 7 -12.385 20.872 -7.206 584 HB2 ASP 7 HB2 ASP 7 -11.798 19.865 -9.296 585 HB3 ASP 7 HB1 ASP 7 -12.950 21.151 -9.613 586 H THR 8 HN THR 8 -10.250 19.474 -8.241 587 HA THR 8 HA THR 8 -8.469 19.577 -6.163 588 HB THR 8 HB THR 8 -6.946 18.245 -7.736 589 HG1 THR 8 HG1 THR 8 -8.503 19.274 -9.536 590 HG21 THR 8 HG21 THR 8 -8.485 17.235 -6.097 591 HG22 THR 8 HG22 THR 8 -8.394 16.285 -7.579 592 HG23 THR 8 HG23 THR 8 -9.789 17.320 -7.283 593 H THR 9 HN THR 9 -6.681 20.595 -5.660 594 HA THR 9 HA THR 9 -5.539 22.482 -7.577 595 HB THR 9 HB THR 9 -5.154 22.345 -4.572 596 HG1 THR 9 HG1 THR 9 -7.323 23.024 -5.853 597 HG21 THR 9 HG21 THR 9 -3.369 23.524 -5.779 598 HG22 THR 9 HG22 THR 9 -4.341 24.646 -4.827 599 HG23 THR 9 HG23 THR 9 -4.574 24.540 -6.571 600 HA PRO 10 HA PRO 10 -2.135 19.581 -7.747 601 HB2 PRO 10 HB2 PRO 10 -0.558 20.993 -9.430 602 HB3 PRO 10 HB1 PRO 10 -1.986 20.107 -9.976 603 HG2 PRO 10 HG2 PRO 10 -1.639 23.028 -9.478 604 HG3 PRO 10 HG1 PRO 10 -2.564 22.209 -10.747 605 HD2 PRO 10 HD2 PRO 10 -3.666 23.295 -8.468 606 HD3 PRO 10 HD1 PRO 10 -4.410 21.994 -9.419 607 H CYS 11 HN CYS 11 -1.038 19.487 -5.894 608 HA CYS 11 HA CYS 11 0.901 21.631 -5.353 609 HB2 CYS 11 HB2 CYS 11 -1.050 21.606 -3.735 610 HB3 CYS 11 HB1 CYS 11 -0.528 20.002 -3.236 611 H CYS 12 HN CYS 12 2.733 20.764 -3.952 612 HA CYS 12 HA CYS 12 3.222 18.016 -3.726 613 HB2 CYS 12 HB2 CYS 12 5.006 17.806 -5.493 614 HB3 CYS 12 HB1 CYS 12 3.361 17.894 -6.110 615 H PHE 13 HN PHE 13 5.149 17.557 -2.693 616 HA PHE 13 HA PHE 13 7.116 19.645 -2.329 617 HB2 PHE 13 HB2 PHE 13 5.482 20.060 -0.510 618 HB3 PHE 13 HB1 PHE 13 5.687 18.403 0.042 619 HD1 PHE 13 HD1 PHE 13 7.658 21.499 -0.613 620 HD2 PHE 13 HD2 PHE 13 7.229 17.960 1.711 621 HE1 PHE 13 HE1 PHE 13 9.510 22.227 0.831 622 HE2 PHE 13 HE2 PHE 13 9.082 18.682 3.158 623 HZ PHE 13 HZ PHE 13 10.225 20.818 2.719 624 H ALA 14 HN ALA 14 8.338 18.156 -3.574 625 HA ALA 14 HA ALA 14 9.916 16.374 -2.079 626 HB1 ALA 14 HB1 ALA 14 7.936 14.926 -2.214 627 HB2 ALA 14 HB2 ALA 14 9.274 14.259 -3.148 628 HB3 ALA 14 HB3 ALA 14 7.945 15.075 -3.971 629 H TYR 15 HN TYR 15 10.827 14.729 -4.081 630 HA TYR 15 HA TYR 15 11.254 16.072 -6.546 631 HB2 TYR 15 HB2 TYR 15 13.652 16.540 -6.293 632 HB3 TYR 15 HB1 TYR 15 12.733 17.458 -5.105 633 HD1 TYR 15 HD1 TYR 15 15.131 14.743 -5.616 634 HD2 TYR 15 HD2 TYR 15 12.874 16.899 -2.726 635 HE1 TYR 15 HE1 TYR 15 16.514 13.784 -3.834 636 HE2 TYR 15 HE2 TYR 15 14.256 15.943 -0.932 637 HH TYR 15 HH TYR 15 17.140 14.133 -1.612 638 H LEU 16 HN LEU 16 13.337 14.893 -7.577 639 HA LEU 16 HA LEU 16 13.252 12.060 -6.794 640 HB2 LEU 16 HB2 LEU 16 12.045 12.979 -9.031 641 HB3 LEU 16 HB1 LEU 16 13.667 12.766 -9.652 642 HG LEU 16 HG LEU 16 12.049 10.574 -8.344 643 HD11 LEU 16 HD11 LEU 16 12.518 11.157 -11.259 644 HD12 LEU 16 HD12 LEU 16 10.981 11.266 -10.394 645 HD13 LEU 16 HD13 LEU 16 11.762 9.700 -10.612 646 HD21 LEU 16 HD21 LEU 16 14.457 10.232 -8.198 647 HD22 LEU 16 HD22 LEU 16 14.606 10.490 -9.936 648 HD23 LEU 16 HD23 LEU 16 13.725 9.090 -9.326 649 H SER 17 HN SER 17 15.187 11.282 -6.354 650 HA SER 17 HA SER 17 17.495 12.836 -6.344 651 HB2 SER 17 HB2 SER 17 17.210 9.834 -6.274 652 HB3 SER 17 HB1 SER 17 18.652 10.730 -5.783 653 HG SER 17 HG SER 17 17.728 10.857 -3.909 654 H LEU 18 HN LEU 18 16.240 10.634 -8.746 655 HA LEU 18 HA LEU 18 18.587 11.080 -10.417 656 HB2 LEU 18 HB2 LEU 18 16.261 9.176 -10.777 657 HB3 LEU 18 HB1 LEU 18 17.565 9.367 -11.926 658 HG LEU 18 HG LEU 18 18.043 7.396 -10.756 659 HD11 LEU 18 HD11 LEU 18 19.687 9.555 -9.462 660 HD12 LEU 18 HD12 LEU 18 19.983 8.820 -11.037 661 HD13 LEU 18 HD13 LEU 18 20.112 7.847 -9.572 662 HD21 LEU 18 HD21 LEU 18 16.482 7.674 -8.905 663 HD22 LEU 18 HD22 LEU 18 17.550 8.871 -8.173 664 HD23 LEU 18 HD23 LEU 18 18.075 7.195 -8.321 665 H ALA 19 HN ALA 19 18.118 13.236 -10.840 666 HA ALA 19 HA ALA 19 15.655 14.093 -11.942 667 HB1 ALA 19 HB1 ALA 19 16.817 16.189 -12.398 668 HB2 ALA 19 HB2 ALA 19 18.365 15.415 -12.056 669 HB3 ALA 19 HB3 ALA 19 17.176 15.614 -10.769 670 H LEU 20 HN LEU 20 14.951 13.347 -13.808 671 HA LEU 20 HA LEU 20 16.453 12.205 -15.825 672 HB2 LEU 20 HB2 LEU 20 14.435 12.619 -17.285 673 HB3 LEU 20 HB1 LEU 20 14.143 11.736 -15.804 674 HG LEU 20 HG LEU 20 13.459 14.107 -14.880 675 HD11 LEU 20 HD11 LEU 20 14.115 15.372 -16.851 676 HD12 LEU 20 HD12 LEU 20 12.380 15.501 -16.564 677 HD13 LEU 20 HD13 LEU 20 12.987 14.442 -17.837 678 HD21 LEU 20 HD21 LEU 20 11.985 12.185 -15.015 679 HD22 LEU 20 HD22 LEU 20 11.722 12.486 -16.733 680 HD23 LEU 20 HD23 LEU 20 11.146 13.646 -15.537 681 HA PRO 21 HA PRO 21 18.695 15.446 -17.726 682 HB2 PRO 21 HB2 PRO 21 18.697 14.425 -20.308 683 HB3 PRO 21 HB1 PRO 21 19.831 13.979 -19.033 684 HG2 PRO 21 HG2 PRO 21 17.359 12.578 -19.946 685 HG3 PRO 21 HG1 PRO 21 18.919 11.894 -19.454 686 HD2 PRO 21 HD2 PRO 21 16.810 11.851 -17.824 687 HD3 PRO 21 HD1 PRO 21 18.448 12.132 -17.196 688 H ARG 22 HN ARG 22 18.563 17.115 -19.289 689 HA ARG 22 HA ARG 22 16.082 18.331 -19.573 690 HB2 ARG 22 HB2 ARG 22 18.686 18.733 -21.020 691 HB3 ARG 22 HB1 ARG 22 17.276 19.731 -21.340 692 HG2 ARG 22 HG2 ARG 22 17.278 20.595 -19.135 693 HG3 ARG 22 HG1 ARG 22 18.474 19.409 -18.606 694 HD2 ARG 22 HD2 ARG 22 19.042 21.392 -20.782 695 HD3 ARG 22 HD1 ARG 22 19.299 21.774 -19.081 696 HE ARG 22 HE ARG 22 20.630 19.451 -19.379 697 HH11 ARG 22 HH11 ARG 22 20.684 22.402 -21.264 698 HH12 ARG 22 HH12 ARG 22 22.376 22.322 -21.606 699 HH21 ARG 22 HH21 ARG 22 22.891 19.343 -19.806 700 HH22 ARG 22 HH22 ARG 22 23.642 20.574 -20.759 701 H ALA 23 HN ALA 23 17.781 16.158 -21.704 702 HA ALA 23 HA ALA 23 16.184 16.526 -24.004 703 HB1 ALA 23 HB1 ALA 23 17.140 14.430 -24.790 704 HB2 ALA 23 HB2 ALA 23 17.725 14.073 -23.165 705 HB3 ALA 23 HB3 ALA 23 18.381 15.446 -24.056 706 H HIS 24 HN HIS 24 15.436 15.078 -21.014 707 HA HIS 24 HA HIS 24 13.309 13.465 -22.202 708 HB2 HIS 24 HB2 HIS 24 14.728 13.400 -19.571 709 HB3 HIS 24 HB1 HIS 24 13.116 12.712 -19.708 710 HD1 HIS 24 HD1 HIS 24 13.259 10.257 -20.048 711 HD2 HIS 24 HD2 HIS 24 16.390 12.261 -21.902 712 HE1 HIS 24 HE1 HIS 24 14.625 8.476 -21.165 713 H VAL 25 HN VAL 25 13.813 16.485 -20.821 714 HA VAL 25 HA VAL 25 11.036 16.622 -19.872 715 HB VAL 25 HB VAL 25 13.027 17.289 -18.333 716 HG11 VAL 25 HG11 VAL 25 13.815 19.548 -18.491 717 HG12 VAL 25 HG12 VAL 25 12.764 19.857 -19.866 718 HG13 VAL 25 HG13 VAL 25 14.120 18.738 -20.033 719 HG21 VAL 25 HG21 VAL 25 11.681 19.026 -17.256 720 HG22 VAL 25 HG22 VAL 25 10.701 17.645 -17.753 721 HG23 VAL 25 HG23 VAL 25 10.673 19.133 -18.699 722 H LYS 26 HN LYS 26 9.751 18.436 -20.485 723 HA LYS 26 HA LYS 26 10.583 19.518 -23.077 724 HB2 LYS 26 HB2 LYS 26 8.567 17.982 -22.964 725 HB3 LYS 26 HB1 LYS 26 7.754 19.254 -22.069 726 HG2 LYS 26 HG2 LYS 26 7.632 20.653 -23.904 727 HG3 LYS 26 HG1 LYS 26 8.956 19.840 -24.740 728 HD2 LYS 26 HD2 LYS 26 6.843 19.297 -25.814 729 HD3 LYS 26 HD1 LYS 26 7.520 17.860 -25.055 730 HE2 LYS 26 HE2 LYS 26 5.126 17.985 -24.658 731 HE3 LYS 26 HE1 LYS 26 6.009 18.172 -23.144 732 HZ1 LYS 26 HZ1 LYS 26 5.605 20.483 -23.141 733 HZ2 LYS 26 HZ2 LYS 26 4.121 19.745 -23.484 734 HZ3 LYS 26 HZ3 LYS 26 5.009 20.464 -24.728 735 H GLU 27 HN GLU 27 8.921 20.352 -20.038 736 HA GLU 27 HA GLU 27 10.100 22.960 -20.050 737 HB2 GLU 27 HB2 GLU 27 8.059 24.286 -20.095 738 HB3 GLU 27 HB1 GLU 27 8.226 23.367 -21.584 739 HG2 GLU 27 HG2 GLU 27 6.699 21.977 -19.559 740 HG3 GLU 27 HG1 GLU 27 5.984 23.521 -20.033 741 H TYR 28 HN TYR 28 8.875 24.325 -18.207 742 HA TYR 28 HA TYR 28 8.247 22.543 -15.966 743 HB2 TYR 28 HB2 TYR 28 9.748 23.633 -14.485 744 HB3 TYR 28 HB1 TYR 28 10.686 23.321 -15.938 745 HD1 TYR 28 HD1 TYR 28 9.620 25.788 -13.597 746 HD2 TYR 28 HD2 TYR 28 10.937 25.280 -17.609 747 HE1 TYR 28 HE1 TYR 28 10.207 28.172 -13.699 748 HE2 TYR 28 HE2 TYR 28 11.530 27.663 -17.721 749 HH TYR 28 HH TYR 28 10.887 29.773 -16.592 750 H PHE 29 HN PHE 29 7.130 23.675 -14.212 751 HA PHE 29 HA PHE 29 5.998 26.278 -14.820 752 HB2 PHE 29 HB2 PHE 29 4.535 24.595 -15.988 753 HB3 PHE 29 HB1 PHE 29 4.208 23.860 -14.426 754 HD1 PHE 29 HD1 PHE 29 4.160 27.294 -15.907 755 HD2 PHE 29 HD2 PHE 29 2.175 24.385 -13.517 756 HE1 PHE 29 HE1 PHE 29 2.273 28.842 -15.598 757 HE2 PHE 29 HE2 PHE 29 0.286 25.928 -13.202 758 HZ PHE 29 HZ PHE 29 0.332 28.159 -14.243 759 H TYR 30 HN TYR 30 4.881 27.176 -12.947 760 HA TYR 30 HA TYR 30 6.024 26.151 -10.469 761 HB2 TYR 30 HB2 TYR 30 4.571 28.738 -11.070 762 HB3 TYR 30 HB1 TYR 30 5.251 28.312 -9.505 763 HD1 TYR 30 HD1 TYR 30 5.981 29.461 -12.890 764 HD2 TYR 30 HD2 TYR 30 7.680 28.241 -9.192 765 HE1 TYR 30 HE1 TYR 30 8.136 30.433 -13.566 766 HE2 TYR 30 HE2 TYR 30 9.841 29.208 -9.854 767 HH TYR 30 HH TYR 30 11.044 29.841 -11.856 768 H THR 31 HN THR 31 4.793 25.616 -8.641 769 HA THR 31 HA THR 31 2.248 24.486 -9.200 770 HB THR 31 HB THR 31 2.190 24.070 -6.705 771 HG1 THR 31 HG1 THR 31 3.538 25.230 -5.585 772 HG21 THR 31 HG21 THR 31 4.651 23.139 -8.185 773 HG22 THR 31 HG22 THR 31 3.043 22.429 -8.326 774 HG23 THR 31 HG23 THR 31 3.910 22.349 -6.793 775 H SER 32 HN SER 32 0.387 24.897 -7.638 776 HA SER 32 HA SER 32 -0.522 27.534 -8.026 777 HB2 SER 32 HB2 SER 32 -1.589 25.378 -6.201 778 HB3 SER 32 HB1 SER 32 -2.471 26.811 -6.737 779 HG SER 32 HG SER 32 -1.600 25.708 -8.925 780 H SER 33 HN SER 33 -0.828 29.206 -6.564 781 HA SER 33 HA SER 33 1.086 29.323 -4.436 782 HB2 SER 33 HB2 SER 33 -1.035 31.318 -5.233 783 HB3 SER 33 HB1 SER 33 0.354 31.632 -4.189 784 HG SER 33 HG SER 33 0.470 32.172 -6.563 785 H LYS 34 HN LYS 34 -1.795 27.866 -4.571 786 HA LYS 34 HA LYS 34 -2.950 28.647 -2.064 787 HB2 LYS 34 HB2 LYS 34 -3.385 26.143 -3.711 788 HB3 LYS 34 HB1 LYS 34 -4.383 26.662 -2.363 789 HG2 LYS 34 HG2 LYS 34 -4.052 28.126 -4.976 790 HG3 LYS 34 HG1 LYS 34 -5.439 27.144 -4.503 791 HD2 LYS 34 HD2 LYS 34 -5.827 28.674 -2.599 792 HD3 LYS 34 HD1 LYS 34 -4.484 29.671 -3.162 793 HE2 LYS 34 HE2 LYS 34 -5.679 29.986 -5.309 794 HE3 LYS 34 HE1 LYS 34 -7.043 29.087 -4.646 795 HZ1 LYS 34 HZ1 LYS 34 -5.952 31.620 -3.550 796 HZ2 LYS 34 HZ2 LYS 34 -7.272 30.773 -2.929 797 HZ3 LYS 34 HZ3 LYS 34 -7.366 31.478 -4.462 798 H CYS 35 HN CYS 35 -0.453 26.599 -3.138 799 HA CYS 35 HA CYS 35 -0.399 24.801 -0.925 800 HB2 CYS 35 HB2 CYS 35 1.779 25.456 -2.913 801 HB3 CYS 35 HB1 CYS 35 1.646 23.999 -1.930 802 H SER 36 HN SER 36 1.083 24.806 0.795 803 HA SER 36 HA SER 36 1.801 27.366 1.784 804 HB2 SER 36 HB2 SER 36 2.682 24.659 2.800 805 HB3 SER 36 HB1 SER 36 2.667 26.175 3.704 806 HG SER 36 HG SER 36 0.376 26.200 3.431 807 H ASN 37 HN ASN 37 3.482 24.857 0.059 808 HA ASN 37 HA ASN 37 5.977 26.402 0.235 809 HB2 ASN 37 HB2 ASN 37 7.161 24.350 -0.378 810 HB3 ASN 37 HB1 ASN 37 6.182 24.076 1.054 811 HD21 ASN 37 HD21 ASN 37 6.674 23.309 -2.276 812 HD22 ASN 37 HD22 ASN 37 5.511 22.027 -2.369 813 H LEU 38 HN LEU 38 7.335 26.112 -1.789 814 HA LEU 38 HA LEU 38 5.593 26.354 -4.138 815 HB2 LEU 38 HB2 LEU 38 6.850 28.421 -3.421 816 HB3 LEU 38 HB1 LEU 38 8.339 27.562 -3.734 817 HG LEU 38 HG LEU 38 7.584 29.210 -5.508 818 HD11 LEU 38 HD11 LEU 38 8.184 27.750 -7.397 819 HD12 LEU 38 HD12 LEU 38 8.115 26.367 -6.304 820 HD13 LEU 38 HD13 LEU 38 9.290 27.655 -6.033 821 HD21 LEU 38 HD21 LEU 38 5.202 28.645 -5.486 822 HD22 LEU 38 HD22 LEU 38 5.579 27.044 -6.125 823 HD23 LEU 38 HD23 LEU 38 5.896 28.479 -7.098 824 H ALA 39 HN ALA 39 5.962 25.018 -5.798 825 HA ALA 39 HA ALA 39 8.492 23.591 -5.931 826 HB1 ALA 39 HB1 ALA 39 5.799 22.235 -6.007 827 HB2 ALA 39 HB2 ALA 39 6.984 22.108 -4.707 828 HB3 ALA 39 HB3 ALA 39 7.354 21.458 -6.305 829 H VAL 40 HN VAL 40 8.586 22.378 -8.071 830 HA VAL 40 HA VAL 40 7.094 23.894 -10.078 831 HB VAL 40 HB VAL 40 9.077 23.668 -11.597 832 HG11 VAL 40 HG11 VAL 40 8.541 25.764 -10.504 833 HG12 VAL 40 HG12 VAL 40 10.289 25.551 -10.610 834 HG13 VAL 40 HG13 VAL 40 9.456 25.271 -9.078 835 HG21 VAL 40 HG21 VAL 40 11.264 23.299 -10.576 836 HG22 VAL 40 HG22 VAL 40 10.227 21.882 -10.417 837 HG23 VAL 40 HG23 VAL 40 10.486 22.945 -9.033 838 H VAL 41 HN VAL 41 6.456 22.872 -11.842 839 HA VAL 41 HA VAL 41 6.441 19.950 -11.684 840 HB VAL 41 HB VAL 41 4.530 21.836 -13.078 841 HG11 VAL 41 HG11 VAL 41 4.367 18.851 -12.726 842 HG12 VAL 41 HG12 VAL 41 4.762 19.689 -14.228 843 HG13 VAL 41 HG13 VAL 41 3.167 19.886 -13.501 844 HG21 VAL 41 HG21 VAL 41 4.171 20.181 -10.580 845 HG22 VAL 41 HG22 VAL 41 2.915 21.134 -11.370 846 HG23 VAL 41 HG23 VAL 41 4.313 21.938 -10.653 847 H PHE 42 HN PHE 42 7.601 18.921 -13.148 848 HA PHE 42 HA PHE 42 8.412 20.361 -15.573 849 HB2 PHE 42 HB2 PHE 42 9.581 17.930 -14.222 850 HB3 PHE 42 HB1 PHE 42 10.115 18.524 -15.787 851 HD1 PHE 42 HD1 PHE 42 10.240 18.961 -12.210 852 HD2 PHE 42 HD2 PHE 42 11.225 20.719 -15.952 853 HE1 PHE 42 HE1 PHE 42 11.797 20.493 -11.081 854 HE2 PHE 42 HE2 PHE 42 12.786 22.250 -14.832 855 HZ PHE 42 HZ PHE 42 13.078 22.137 -12.395 856 H VAL 43 HN VAL 43 7.543 19.851 -17.423 857 HA VAL 43 HA VAL 43 5.925 17.429 -17.614 858 HB VAL 43 HB VAL 43 6.125 19.884 -19.379 859 HG11 VAL 43 HG11 VAL 43 4.344 18.929 -20.739 860 HG12 VAL 43 HG12 VAL 43 4.414 17.433 -19.802 861 HG13 VAL 43 HG13 VAL 43 5.792 17.926 -20.791 862 HG21 VAL 43 HG21 VAL 43 3.778 20.204 -18.713 863 HG22 VAL 43 HG22 VAL 43 4.864 20.198 -17.323 864 HG23 VAL 43 HG23 VAL 43 3.885 18.775 -17.681 865 H THR 44 HN THR 44 6.803 15.682 -18.453 866 HA THR 44 HA THR 44 9.385 15.766 -19.690 867 HB THR 44 HB THR 44 9.152 13.307 -19.848 868 HG1 THR 44 HG1 THR 44 6.705 13.521 -18.471 869 HG21 THR 44 HG21 THR 44 9.955 14.325 -17.759 870 HG22 THR 44 HG22 THR 44 9.024 12.858 -17.449 871 HG23 THR 44 HG23 THR 44 8.290 14.439 -17.187 872 H ARG 45 HN ARG 45 9.766 14.394 -21.700 873 HA ARG 45 HA ARG 45 8.311 15.492 -23.889 874 HB2 ARG 45 HB2 ARG 45 10.155 13.092 -23.957 875 HB3 ARG 45 HB1 ARG 45 9.718 14.121 -25.310 876 HG2 ARG 45 HG2 ARG 45 11.391 14.898 -22.932 877 HG3 ARG 45 HG1 ARG 45 11.962 14.602 -24.573 878 HD2 ARG 45 HD2 ARG 45 10.039 16.778 -23.764 879 HD3 ARG 45 HD1 ARG 45 11.765 17.000 -24.025 880 HE ARG 45 HE ARG 45 10.035 16.016 -26.188 881 HH11 ARG 45 HH11 ARG 45 12.258 18.424 -24.907 882 HH12 ARG 45 HH12 ARG 45 12.451 19.232 -26.420 883 HH21 ARG 45 HH21 ARG 45 10.291 17.111 -28.195 884 HH22 ARG 45 HH22 ARG 45 11.325 18.493 -28.285 885 H ARG 46 HN ARG 46 7.755 12.904 -21.829 886 HA ARG 46 HA ARG 46 6.149 11.368 -23.710 887 HB2 ARG 46 HB2 ARG 46 6.953 10.953 -20.831 888 HB3 ARG 46 HB1 ARG 46 5.713 9.971 -21.586 889 HG2 ARG 46 HG2 ARG 46 7.831 8.807 -21.603 890 HG3 ARG 46 HG1 ARG 46 7.350 9.200 -23.251 891 HD2 ARG 46 HD2 ARG 46 8.912 11.017 -23.334 892 HD3 ARG 46 HD1 ARG 46 9.272 10.848 -21.618 893 HE ARG 46 HE ARG 46 10.173 8.585 -22.248 894 HH11 ARG 46 HH11 ARG 46 10.115 11.178 -24.619 895 HH12 ARG 46 HH12 ARG 46 11.525 10.617 -25.447 896 HH21 ARG 46 HH21 ARG 46 12.022 7.860 -23.330 897 HH22 ARG 46 HH22 ARG 46 12.626 8.721 -24.708 898 H ASN 47 HN ASN 47 5.714 14.151 -22.238 899 HA ASN 47 HA ASN 47 3.956 15.432 -21.685 900 HB2 ASN 47 HB2 ASN 47 2.480 13.120 -22.914 901 HB3 ASN 47 HB1 ASN 47 1.605 14.458 -22.174 902 HD21 ASN 47 HD21 ASN 47 3.695 13.496 -24.800 903 HD22 ASN 47 HD22 ASN 47 3.471 14.924 -25.751 904 H ARG 48 HN ARG 48 5.130 13.401 -19.841 905 HA ARG 48 HA ARG 48 2.907 13.235 -17.925 906 HB2 ARG 48 HB2 ARG 48 4.057 11.100 -18.368 907 HB3 ARG 48 HB1 ARG 48 5.587 11.825 -17.890 908 HG2 ARG 48 HG2 ARG 48 4.665 12.197 -15.630 909 HG3 ARG 48 HG1 ARG 48 3.191 11.366 -16.126 910 HD2 ARG 48 HD2 ARG 48 4.461 9.340 -16.559 911 HD3 ARG 48 HD1 ARG 48 5.958 10.171 -16.131 912 HE ARG 48 HE ARG 48 3.970 10.235 -14.055 913 HH11 ARG 48 HH11 ARG 48 6.563 8.317 -15.457 914 HH12 ARG 48 HH12 ARG 48 6.919 7.497 -13.972 915 HH21 ARG 48 HH21 ARG 48 4.437 9.120 -12.092 916 HH22 ARG 48 HH22 ARG 48 5.713 7.953 -12.071 917 H GLN 49 HN GLN 49 2.957 14.450 -16.132 918 HA GLN 49 HA GLN 49 5.174 16.320 -15.895 919 HB2 GLN 49 HB2 GLN 49 3.602 17.497 -14.306 920 HB3 GLN 49 HB1 GLN 49 3.125 17.445 -15.996 921 HG2 GLN 49 HG2 GLN 49 1.584 15.646 -15.536 922 HG3 GLN 49 HG1 GLN 49 2.086 15.614 -13.844 923 HE21 GLN 49 HE21 GLN 49 2.301 18.511 -13.750 924 HE22 GLN 49 HE22 GLN 49 0.682 19.119 -13.676 925 H VAL 50 HN VAL 50 6.304 16.681 -14.055 926 HA VAL 50 HA VAL 50 5.987 14.793 -11.822 927 HB VAL 50 HB VAL 50 7.820 14.087 -13.403 928 HG11 VAL 50 HG11 VAL 50 9.885 15.369 -13.478 929 HG12 VAL 50 HG12 VAL 50 9.103 16.654 -12.552 930 HG13 VAL 50 HG13 VAL 50 8.513 16.245 -14.163 931 HG21 VAL 50 HG21 VAL 50 9.540 13.742 -11.684 932 HG22 VAL 50 HG22 VAL 50 7.918 13.412 -11.072 933 HG23 VAL 50 HG23 VAL 50 8.728 14.920 -10.653 934 H CYS 51 HN CYS 51 7.006 15.635 -9.804 935 HA CYS 51 HA CYS 51 7.040 18.588 -9.783 936 HB2 CYS 51 HB2 CYS 51 6.104 16.627 -7.702 937 HB3 CYS 51 HB1 CYS 51 6.356 18.335 -7.374 938 H ALA 52 HN ALA 52 8.580 19.663 -8.563 939 HA ALA 52 HA ALA 52 10.411 18.183 -6.890 940 HB1 ALA 52 HB1 ALA 52 12.426 18.849 -8.069 941 HB2 ALA 52 HB2 ALA 52 11.460 19.642 -9.312 942 HB3 ALA 52 HB3 ALA 52 11.393 17.889 -9.129 943 H ASN 53 HN ASN 53 11.609 19.507 -5.506 944 HA ASN 53 HA ASN 53 10.451 22.127 -5.101 945 HB2 ASN 53 HB2 ASN 53 12.405 20.495 -3.478 946 HB3 ASN 53 HB1 ASN 53 11.927 22.130 -3.038 947 HD21 ASN 53 HD21 ASN 53 9.182 21.802 -3.948 948 HD22 ASN 53 HD22 ASN 53 8.409 20.800 -2.776 949 HA PRO 54 HA PRO 54 13.554 24.363 -7.274 950 HB2 PRO 54 HB2 PRO 54 13.170 26.806 -6.169 951 HB3 PRO 54 HB1 PRO 54 11.998 26.076 -7.275 952 HG2 PRO 54 HG2 PRO 54 11.992 26.104 -4.276 953 HG3 PRO 54 HG1 PRO 54 10.674 26.498 -5.394 954 HD2 PRO 54 HD2 PRO 54 10.813 24.104 -4.226 955 HD3 PRO 54 HD1 PRO 54 10.277 24.276 -5.911 956 H GLU 55 HN GLU 55 13.741 23.773 -3.936 957 HA GLU 55 HA GLU 55 16.014 25.427 -3.430 958 HB2 GLU 55 HB2 GLU 55 14.736 23.225 -1.825 959 HB3 GLU 55 HB1 GLU 55 16.153 24.113 -1.280 960 HG2 GLU 55 HG2 GLU 55 14.885 26.203 -1.405 961 HG3 GLU 55 HG1 GLU 55 13.463 25.298 -1.919 962 H LYS 56 HN LYS 56 15.678 22.574 -5.093 963 HA LYS 56 HA LYS 56 18.380 21.670 -4.475 964 HB2 LYS 56 HB2 LYS 56 16.107 20.499 -6.054 965 HB3 LYS 56 HB1 LYS 56 17.745 19.902 -6.281 966 HG2 LYS 56 HG2 LYS 56 16.393 20.009 -3.592 967 HG3 LYS 56 HG1 LYS 56 16.328 18.603 -4.659 968 HD2 LYS 56 HD2 LYS 56 18.759 18.428 -4.608 969 HD3 LYS 56 HD1 LYS 56 18.861 19.874 -3.606 970 HE2 LYS 56 HE2 LYS 56 17.388 17.380 -2.779 971 HE3 LYS 56 HE1 LYS 56 19.079 17.680 -2.387 972 HZ1 LYS 56 HZ1 LYS 56 16.806 19.420 -1.585 973 HZ2 LYS 56 HZ2 LYS 56 18.427 19.659 -1.188 974 HZ3 LYS 56 HZ3 LYS 56 17.603 18.318 -0.580 975 H LYS 57 HN LYS 57 20.087 21.978 -5.789 976 HA LYS 57 HA LYS 57 19.953 24.139 -7.581 977 HB2 LYS 57 HB2 LYS 57 21.955 23.547 -6.245 978 HB3 LYS 57 HB1 LYS 57 22.199 22.148 -7.276 979 HG2 LYS 57 HG2 LYS 57 23.683 23.940 -7.937 980 HG3 LYS 57 HG1 LYS 57 22.506 23.621 -9.209 981 HD2 LYS 57 HD2 LYS 57 22.548 25.951 -9.117 982 HD3 LYS 57 HD1 LYS 57 21.152 25.555 -8.124 983 HE2 LYS 57 HE2 LYS 57 23.909 26.079 -7.010 984 HE3 LYS 57 HE1 LYS 57 22.683 27.327 -7.192 985 HZ1 LYS 57 HZ1 LYS 57 21.243 26.025 -5.700 986 HZ2 LYS 57 HZ2 LYS 57 22.681 26.491 -4.954 987 HZ3 LYS 57 HZ3 LYS 57 22.492 24.905 -5.477 988 H TRP 58 HN TRP 58 19.861 20.673 -8.112 989 HA TRP 58 HA TRP 58 20.359 20.644 -10.875 990 HB2 TRP 58 HB2 TRP 58 18.511 18.874 -9.250 991 HB3 TRP 58 HB1 TRP 58 19.007 18.548 -10.905 992 HD1 TRP 58 HD1 TRP 58 19.911 17.723 -7.456 993 HE1 TRP 58 HE1 TRP 58 22.251 16.656 -7.345 994 HE3 TRP 58 HE3 TRP 58 21.563 18.909 -12.139 995 HZ2 TRP 58 HZ2 TRP 58 24.500 16.362 -9.021 996 HZ3 TRP 58 HZ3 TRP 58 23.819 18.199 -12.808 997 HH2 TRP 58 HH2 TRP 58 25.258 16.953 -11.282 998 H VAL 59 HN VAL 59 17.456 21.147 -9.005 999 HA VAL 59 HA VAL 59 15.617 21.310 -11.127 1000 HB VAL 59 HB VAL 59 15.528 22.596 -8.384 1001 HG11 VAL 59 HG11 VAL 59 13.972 23.673 -9.924 1002 HG12 VAL 59 HG12 VAL 59 13.113 22.725 -8.708 1003 HG13 VAL 59 HG13 VAL 59 13.296 22.100 -10.346 1004 HG21 VAL 59 HG21 VAL 59 15.738 20.169 -8.297 1005 HG22 VAL 59 HG22 VAL 59 14.359 20.001 -9.383 1006 HG23 VAL 59 HG23 VAL 59 14.134 20.680 -7.771 1007 H GLN 60 HN GLN 60 17.704 23.617 -9.550 1008 HA GLN 60 HA GLN 60 16.691 25.953 -10.786 1009 HB2 GLN 60 HB2 GLN 60 19.452 25.404 -9.684 1010 HB3 GLN 60 HB1 GLN 60 18.804 26.993 -10.069 1011 HG2 GLN 60 HG2 GLN 60 17.595 25.143 -8.037 1012 HG3 GLN 60 HG1 GLN 60 18.776 26.389 -7.649 1013 HE21 GLN 60 HE21 GLN 60 15.526 25.736 -8.644 1014 HE22 GLN 60 HE22 GLN 60 14.906 27.325 -8.371 1015 H GLU 61 HN GLU 61 19.226 23.648 -11.586 1016 HA GLU 61 HA GLU 61 20.253 24.960 -13.836 1017 HB2 GLU 61 HB2 GLU 61 20.059 22.019 -13.204 1018 HB3 GLU 61 HB1 GLU 61 21.008 22.690 -14.522 1019 HG2 GLU 61 HG2 GLU 61 21.421 23.473 -11.665 1020 HG3 GLU 61 HG1 GLU 61 22.243 22.107 -12.411 1021 H TYR 62 HN TYR 62 17.745 22.524 -13.483 1022 HA TYR 62 HA TYR 62 17.183 22.399 -16.268 1023 HB2 TYR 62 HB2 TYR 62 15.633 21.506 -13.850 1024 HB3 TYR 62 HB1 TYR 62 14.985 21.343 -15.480 1025 HD1 TYR 62 HD1 TYR 62 17.597 20.220 -13.168 1026 HD2 TYR 62 HD2 TYR 62 15.871 19.720 -17.010 1027 HE1 TYR 62 HE1 TYR 62 18.837 18.115 -13.438 1028 HE2 TYR 62 HE2 TYR 62 17.106 17.617 -17.299 1029 HH TYR 62 HH TYR 62 18.464 15.939 -14.861 1030 H ILE 63 HN ILE 63 15.847 24.282 -13.638 1031 HA ILE 63 HA ILE 63 13.747 25.461 -15.113 1032 HB ILE 63 HB ILE 63 15.265 26.374 -12.675 1033 HG12 ILE 63 HG12 ILE 63 12.393 25.501 -13.072 1034 HG13 ILE 63 HG11 ILE 63 13.686 24.493 -12.429 1035 HG21 ILE 63 HG21 ILE 63 13.635 28.197 -12.421 1036 HG22 ILE 63 HG22 ILE 63 12.986 27.818 -14.018 1037 HG23 ILE 63 HG23 ILE 63 14.649 28.386 -13.853 1038 HD11 ILE 63 HD11 ILE 63 12.316 25.323 -10.634 1039 HD12 ILE 63 HD12 ILE 63 12.559 26.985 -11.172 1040 HD13 ILE 63 HD13 ILE 63 13.917 26.055 -10.539 1041 H ASN 64 HN ASN 64 17.067 26.495 -14.495 1042 HA ASN 64 HA ASN 64 16.902 28.930 -15.896 1043 HB2 ASN 64 HB2 ASN 64 18.888 29.204 -14.896 1044 HB3 ASN 64 HB1 ASN 64 18.868 27.521 -14.399 1045 HD21 ASN 64 HD21 ASN 64 19.992 26.017 -15.604 1046 HD22 ASN 64 HD22 ASN 64 21.229 26.467 -16.729 1047 H TYR 65 HN TYR 65 17.702 25.672 -16.909 1048 HA TYR 65 HA TYR 65 18.496 26.510 -19.537 1049 HB2 TYR 65 HB2 TYR 65 18.079 23.841 -18.254 1050 HB3 TYR 65 HB1 TYR 65 18.244 23.957 -20.000 1051 HD1 TYR 65 HD1 TYR 65 20.003 23.350 -17.090 1052 HD2 TYR 65 HD2 TYR 65 20.319 25.572 -20.701 1053 HE1 TYR 65 HE1 TYR 65 22.445 23.395 -16.842 1054 HE2 TYR 65 HE2 TYR 65 22.764 25.621 -20.464 1055 HH TYR 65 HH TYR 65 24.451 25.432 -18.670 1056 H LEU 66 HN LEU 66 15.536 25.251 -18.105 1057 HA LEU 66 HA LEU 66 14.261 25.030 -20.669 1058 HB2 LEU 66 HB2 LEU 66 13.174 24.830 -17.874 1059 HB3 LEU 66 HB1 LEU 66 12.178 24.660 -19.307 1060 HG LEU 66 HG LEU 66 14.499 22.889 -18.568 1061 HD11 LEU 66 HD11 LEU 66 11.525 22.423 -18.437 1062 HD12 LEU 66 HD12 LEU 66 12.612 22.617 -17.063 1063 HD13 LEU 66 HD13 LEU 66 12.771 21.217 -18.121 1064 HD21 LEU 66 HD21 LEU 66 14.172 23.082 -20.991 1065 HD22 LEU 66 HD22 LEU 66 12.470 22.664 -20.795 1066 HD23 LEU 66 HD23 LEU 66 13.720 21.484 -20.405 1067 H GLU 67 HN GLU 67 14.592 27.559 -18.308 1068 HA GLU 67 HA GLU 67 12.375 29.083 -19.284 1069 HB2 GLU 67 HB2 GLU 67 13.150 30.878 -17.892 1070 HB3 GLU 67 HB1 GLU 67 13.355 29.378 -16.999 1071 HG2 GLU 67 HG2 GLU 67 15.712 29.378 -17.443 1072 HG3 GLU 67 HG1 GLU 67 15.553 30.794 -18.479 1073 H MET 68 HN MET 68 15.727 28.749 -20.141 1074 HA MET 68 HA MET 68 15.624 31.018 -21.959 1075 HB2 MET 68 HB2 MET 68 17.949 30.481 -22.478 1076 HB3 MET 68 HB1 MET 68 17.712 30.603 -20.741 1077 HG2 MET 68 HG2 MET 68 17.768 28.212 -20.512 1078 HG3 MET 68 HG1 MET 68 17.792 28.007 -22.264 1079 HE1 MET 68 HE1 MET 68 19.793 29.260 -19.118 1080 HE2 MET 68 HE2 MET 68 19.757 30.685 -20.155 1081 HE3 MET 68 HE3 MET 68 21.280 29.847 -19.861 1082 H SER 69 HN SER 69 14.823 27.781 -21.979 1083 HA SER 69 HA SER 69 14.183 26.282 -23.517 1084 HB2 SER 69 HB2 SER 69 14.022 28.707 -25.292 1085 HB3 SER 69 HB1 SER 69 13.270 27.144 -25.614 1086 HG SER 69 HG SER 69 12.296 29.162 -24.246 Start of MODEL 9 1 H1 MET 1 HT1 MET 1 9.322 -2.892 -13.080 2 HA MET 1 HA MET 1 10.333 -0.898 -13.824 3 HB2 MET 1 HB2 MET 1 8.560 -1.252 -16.242 4 HB3 MET 1 HB1 MET 1 9.464 0.210 -15.877 5 HG2 MET 1 HG2 MET 1 11.554 -1.040 -16.036 6 HG3 MET 1 HG1 MET 1 10.647 -2.505 -16.403 7 HE1 MET 1 HE1 MET 1 8.331 -1.389 -18.315 8 HE2 MET 1 HE2 MET 1 9.246 -2.872 -18.580 9 HE3 MET 1 HE3 MET 1 9.087 -1.690 -19.879 10 H SER 2 HN SER 2 9.502 0.194 -12.190 11 HA SER 2 HA SER 2 6.688 0.999 -12.366 12 HB2 SER 2 HB2 SER 2 8.132 0.241 -9.814 13 HB3 SER 2 HB1 SER 2 6.434 0.692 -9.972 14 HG SER 2 HG SER 2 6.886 -1.286 -11.663 15 HA PRO 3 HA PRO 3 8.353 5.059 -11.567 16 HB2 PRO 3 HB2 PRO 3 5.917 5.852 -10.177 17 HB3 PRO 3 HB1 PRO 3 6.481 6.345 -11.775 18 HG2 PRO 3 HG2 PRO 3 4.304 4.753 -11.389 19 HG3 PRO 3 HG1 PRO 3 5.318 4.680 -12.840 20 HD2 PRO 3 HD2 PRO 3 5.297 2.885 -10.448 21 HD3 PRO 3 HD1 PRO 3 5.473 2.478 -12.169 22 H TYR 4 HN TYR 4 9.289 6.238 -9.880 23 HA TYR 4 HA TYR 4 9.668 4.834 -7.443 24 HB2 TYR 4 HB2 TYR 4 11.390 6.338 -8.454 25 HB3 TYR 4 HB1 TYR 4 10.384 7.718 -8.025 26 HD1 TYR 4 HD1 TYR 4 12.540 5.048 -6.723 27 HD2 TYR 4 HD2 TYR 4 10.218 8.470 -5.718 28 HE1 TYR 4 HE1 TYR 4 13.579 5.095 -4.498 29 HE2 TYR 4 HE2 TYR 4 11.255 8.523 -3.488 30 HH TYR 4 HH TYR 4 14.017 6.727 -2.713 31 H GLY 5 HN GLY 5 7.785 7.679 -8.339 32 HA2 GLY 5 HA2 GLY 5 5.613 7.918 -7.236 33 HA3 GLY 5 HA1 GLY 5 6.408 7.434 -5.743 34 H SER 6 HN SER 6 6.496 9.911 -8.259 35 HA SER 6 HA SER 6 6.598 11.999 -6.290 36 HB2 SER 6 HB2 SER 6 8.951 11.618 -8.171 37 HB3 SER 6 HB1 SER 6 8.694 13.020 -7.135 38 HG SER 6 HG SER 6 8.529 10.805 -5.650 39 H ASP 7 HN ASP 7 4.575 12.376 -7.445 40 HA ASP 7 HA ASP 7 5.015 14.153 -9.681 41 HB2 ASP 7 HB2 ASP 7 3.514 13.117 -11.221 42 HB3 ASP 7 HB1 ASP 7 4.667 11.891 -10.720 43 H THR 8 HN THR 8 2.883 15.165 -10.366 44 HA THR 8 HA THR 8 1.887 16.668 -8.338 45 HB THR 8 HB THR 8 -0.166 16.939 -9.925 46 HG1 THR 8 HG1 THR 8 0.447 14.920 -11.037 47 HG21 THR 8 HG21 THR 8 1.660 18.560 -9.682 48 HG22 THR 8 HG22 THR 8 1.167 18.404 -11.370 49 HG23 THR 8 HG23 THR 8 2.644 17.622 -10.808 50 H THR 9 HN THR 9 1.003 15.997 -6.555 51 HA THR 9 HA THR 9 -0.824 13.744 -6.578 52 HB THR 9 HB THR 9 0.308 15.265 -4.218 53 HG1 THR 9 HG1 THR 9 1.691 13.926 -5.929 54 HG21 THR 9 HG21 THR 9 -0.204 13.203 -2.990 55 HG22 THR 9 HG22 THR 9 -0.859 12.484 -4.462 56 HG23 THR 9 HG23 THR 9 -1.660 13.873 -3.727 57 HA PRO 10 HA PRO 10 -4.170 16.720 -6.462 58 HB2 PRO 10 HB2 PRO 10 -6.182 14.899 -6.216 59 HB3 PRO 10 HB1 PRO 10 -5.395 15.268 -7.754 60 HG2 PRO 10 HG2 PRO 10 -4.958 12.965 -5.903 61 HG3 PRO 10 HG1 PRO 10 -4.995 12.988 -7.675 62 HD2 PRO 10 HD2 PRO 10 -2.692 12.915 -6.228 63 HD3 PRO 10 HD1 PRO 10 -2.806 13.664 -7.833 64 H CYS 11 HN CYS 11 -4.223 17.821 -4.612 65 HA CYS 11 HA CYS 11 -5.244 16.440 -2.228 66 HB2 CYS 11 HB2 CYS 11 -2.771 16.962 -2.095 67 HB3 CYS 11 HB1 CYS 11 -3.192 18.667 -2.204 68 H CYS 12 HN CYS 12 -6.176 18.099 -0.647 69 HA CYS 12 HA CYS 12 -6.935 20.639 -1.586 70 HB2 CYS 12 HB2 CYS 12 -8.320 18.959 -3.007 71 HB3 CYS 12 HB1 CYS 12 -9.264 18.753 -1.536 72 H PHE 13 HN PHE 13 -8.697 21.571 -0.163 73 HA PHE 13 HA PHE 13 -9.036 20.320 2.435 74 HB2 PHE 13 HB2 PHE 13 -8.043 22.399 3.542 75 HB3 PHE 13 HB1 PHE 13 -6.909 21.208 2.905 76 HD1 PHE 13 HD1 PHE 13 -8.537 24.466 2.162 77 HD2 PHE 13 HD2 PHE 13 -5.286 21.848 1.327 78 HE1 PHE 13 HE1 PHE 13 -7.452 26.238 0.848 79 HE2 PHE 13 HE2 PHE 13 -4.196 23.618 0.011 80 HZ PHE 13 HZ PHE 13 -5.280 25.817 -0.229 81 H ALA 14 HN ALA 14 -10.816 21.229 0.377 82 HA ALA 14 HA ALA 14 -11.798 23.792 1.287 83 HB1 ALA 14 HB1 ALA 14 -13.235 23.683 -0.642 84 HB2 ALA 14 HB2 ALA 14 -12.714 22.023 -0.952 85 HB3 ALA 14 HB3 ALA 14 -11.558 23.351 -1.080 86 H TYR 15 HN TYR 15 -14.347 23.828 1.100 87 HA TYR 15 HA TYR 15 -15.585 21.564 2.386 88 HB2 TYR 15 HB2 TYR 15 -16.479 23.085 4.256 89 HB3 TYR 15 HB1 TYR 15 -14.812 22.535 4.374 90 HD1 TYR 15 HD1 TYR 15 -16.996 25.433 4.013 91 HD2 TYR 15 HD2 TYR 15 -12.955 24.103 3.951 92 HE1 TYR 15 HE1 TYR 15 -16.226 27.760 4.267 93 HE2 TYR 15 HE2 TYR 15 -12.178 26.415 4.203 94 HH TYR 15 HH TYR 15 -14.084 28.886 5.207 95 H LEU 16 HN LEU 16 -15.794 24.763 1.045 96 HA LEU 16 HA LEU 16 -17.332 25.879 -0.148 97 HB2 LEU 16 HB2 LEU 16 -17.154 23.836 -1.520 98 HB3 LEU 16 HB1 LEU 16 -18.509 23.154 -0.647 99 HG LEU 16 HG LEU 16 -19.950 24.962 -1.532 100 HD11 LEU 16 HD11 LEU 16 -17.493 25.728 -3.119 101 HD12 LEU 16 HD12 LEU 16 -18.252 26.687 -1.848 102 HD13 LEU 16 HD13 LEU 16 -19.115 26.378 -3.353 103 HD21 LEU 16 HD21 LEU 16 -18.447 23.426 -3.648 104 HD22 LEU 16 HD22 LEU 16 -20.056 24.127 -3.818 105 HD23 LEU 16 HD23 LEU 16 -19.785 22.803 -2.685 106 H SER 17 HN SER 17 -18.508 27.180 0.993 107 HA SER 17 HA SER 17 -20.228 26.475 3.076 108 HB2 SER 17 HB2 SER 17 -20.219 28.991 1.412 109 HB3 SER 17 HB1 SER 17 -20.902 28.814 3.033 110 HG SER 17 HG SER 17 -18.693 28.189 3.661 111 H LEU 18 HN LEU 18 -20.796 26.899 -0.365 112 HA LEU 18 HA LEU 18 -23.608 26.177 0.074 113 HB2 LEU 18 HB2 LEU 18 -22.447 28.069 -1.963 114 HB3 LEU 18 HB1 LEU 18 -24.026 27.346 -2.168 115 HG LEU 18 HG LEU 18 -24.401 29.514 -1.327 116 HD11 LEU 18 HD11 LEU 18 -24.610 27.648 1.021 117 HD12 LEU 18 HD12 LEU 18 -25.779 27.804 -0.289 118 HD13 LEU 18 HD13 LEU 18 -25.491 29.159 0.801 119 HD21 LEU 18 HD21 LEU 18 -23.359 30.417 0.689 120 HD22 LEU 18 HD22 LEU 18 -22.150 30.011 -0.529 121 HD23 LEU 18 HD23 LEU 18 -22.400 28.947 0.855 122 H ALA 19 HN ALA 19 -23.477 24.047 -0.232 123 HA ALA 19 HA ALA 19 -21.890 22.868 -2.295 124 HB1 ALA 19 HB1 ALA 19 -24.020 21.622 -0.561 125 HB2 ALA 19 HB2 ALA 19 -22.304 21.725 -0.167 126 HB3 ALA 19 HB3 ALA 19 -22.837 20.757 -1.542 127 H LEU 20 HN LEU 20 -22.519 21.968 -4.186 128 HA LEU 20 HA LEU 20 -24.855 23.039 -5.423 129 HB2 LEU 20 HB2 LEU 20 -24.079 21.664 -7.394 130 HB3 LEU 20 HB1 LEU 20 -22.946 22.859 -6.804 131 HG LEU 20 HG LEU 20 -21.931 20.829 -5.485 132 HD11 LEU 20 HD11 LEU 20 -23.667 19.225 -6.046 133 HD12 LEU 20 HD12 LEU 20 -22.104 18.718 -6.686 134 HD13 LEU 20 HD13 LEU 20 -23.311 19.423 -7.762 135 HD21 LEU 20 HD21 LEU 20 -21.573 21.213 -8.452 136 HD22 LEU 20 HD22 LEU 20 -20.445 20.381 -7.382 137 HD23 LEU 20 HD23 LEU 20 -20.751 22.105 -7.171 138 HA PRO 21 HA PRO 21 -27.833 19.914 -4.602 139 HB2 PRO 21 HB2 PRO 21 -29.153 19.782 -7.009 140 HB3 PRO 21 HB1 PRO 21 -29.398 21.058 -5.812 141 HG2 PRO 21 HG2 PRO 21 -27.707 21.073 -8.279 142 HG3 PRO 21 HG1 PRO 21 -28.760 22.346 -7.634 143 HD2 PRO 21 HD2 PRO 21 -26.098 22.427 -7.318 144 HD3 PRO 21 HD1 PRO 21 -27.203 23.009 -6.057 145 H ARG 22 HN ARG 22 -28.443 17.770 -4.993 146 HA ARG 22 HA ARG 22 -26.418 16.015 -5.840 147 HB2 ARG 22 HB2 ARG 22 -29.284 15.695 -5.068 148 HB3 ARG 22 HB1 ARG 22 -28.442 14.335 -5.794 149 HG2 ARG 22 HG2 ARG 22 -27.255 13.925 -3.943 150 HG3 ARG 22 HG1 ARG 22 -26.997 15.637 -3.605 151 HD2 ARG 22 HD2 ARG 22 -29.653 14.305 -3.199 152 HD3 ARG 22 HD1 ARG 22 -28.412 14.322 -1.948 153 HE ARG 22 HE ARG 22 -28.628 16.928 -2.626 154 HH11 ARG 22 HH11 ARG 22 -31.030 14.518 -1.757 155 HH12 ARG 22 HH12 ARG 22 -32.065 15.649 -0.961 156 HH21 ARG 22 HH21 ARG 22 -30.003 18.438 -1.556 157 HH22 ARG 22 HH22 ARG 22 -31.478 17.882 -0.848 158 H ALA 23 HN ALA 23 -29.203 17.313 -7.475 159 HA ALA 23 HA ALA 23 -29.190 15.575 -9.697 160 HB1 ALA 23 HB1 ALA 23 -30.159 18.429 -9.556 161 HB2 ALA 23 HB2 ALA 23 -31.100 17.004 -9.117 162 HB3 ALA 23 HB3 ALA 23 -30.588 17.241 -10.787 163 H HIS 24 HN HIS 24 -26.975 17.956 -8.757 164 HA HIS 24 HA HIS 24 -26.046 18.348 -11.496 165 HB2 HIS 24 HB2 HIS 24 -25.674 19.907 -8.962 166 HB3 HIS 24 HB1 HIS 24 -24.570 20.107 -10.311 167 HD1 HIS 24 HD1 HIS 24 -25.313 22.530 -10.803 168 HD2 HIS 24 HD2 HIS 24 -28.422 19.767 -10.953 169 HE1 HIS 24 HE1 HIS 24 -27.248 23.749 -11.820 170 H VAL 25 HN VAL 25 -25.372 16.572 -8.674 171 HA VAL 25 HA VAL 25 -22.548 16.310 -9.384 172 HB VAL 25 HB VAL 25 -23.385 16.668 -6.934 173 HG11 VAL 25 HG11 VAL 25 -23.846 14.665 -5.663 174 HG12 VAL 25 HG12 VAL 25 -23.701 13.680 -7.109 175 HG13 VAL 25 HG13 VAL 25 -25.038 14.827 -6.959 176 HG21 VAL 25 HG21 VAL 25 -21.069 16.266 -7.532 177 HG22 VAL 25 HG22 VAL 25 -21.369 14.528 -7.596 178 HG23 VAL 25 HG23 VAL 25 -21.490 15.388 -6.061 179 H LYS 26 HN LYS 26 -21.612 14.236 -9.722 180 HA LYS 26 HA LYS 26 -23.581 12.284 -10.701 181 HB2 LYS 26 HB2 LYS 26 -22.136 13.308 -12.439 182 HB3 LYS 26 HB1 LYS 26 -20.724 12.683 -11.603 183 HG2 LYS 26 HG2 LYS 26 -21.305 10.440 -12.107 184 HG3 LYS 26 HG1 LYS 26 -22.915 10.913 -12.657 185 HD2 LYS 26 HD2 LYS 26 -21.586 10.488 -14.595 186 HD3 LYS 26 HD1 LYS 26 -21.817 12.231 -14.479 187 HE2 LYS 26 HE2 LYS 26 -19.547 11.916 -15.041 188 HE3 LYS 26 HE1 LYS 26 -19.563 12.321 -13.328 189 HZ1 LYS 26 HZ1 LYS 26 -18.072 10.448 -13.915 190 HZ2 LYS 26 HZ2 LYS 26 -19.417 9.540 -14.373 191 HZ3 LYS 26 HZ3 LYS 26 -19.227 10.014 -12.766 192 H GLU 27 HN GLU 27 -20.460 12.629 -9.054 193 HA GLU 27 HA GLU 27 -21.030 10.352 -7.409 194 HB2 GLU 27 HB2 GLU 27 -19.078 9.030 -8.083 195 HB3 GLU 27 HB1 GLU 27 -20.216 9.216 -9.410 196 HG2 GLU 27 HG2 GLU 27 -18.808 11.020 -10.319 197 HG3 GLU 27 HG1 GLU 27 -17.647 10.719 -9.024 198 H TYR 28 HN TYR 28 -18.866 9.820 -6.140 199 HA TYR 28 HA TYR 28 -17.477 12.326 -5.527 200 HB2 TYR 28 HB2 TYR 28 -17.743 12.040 -3.181 201 HB3 TYR 28 HB1 TYR 28 -19.344 11.804 -3.875 202 HD1 TYR 28 HD1 TYR 28 -16.875 10.469 -1.707 203 HD2 TYR 28 HD2 TYR 28 -20.042 9.322 -4.304 204 HE1 TYR 28 HE1 TYR 28 -17.026 8.302 -0.556 205 HE2 TYR 28 HE2 TYR 28 -20.203 7.155 -3.159 206 HH TYR 28 HH TYR 28 -18.725 5.680 -1.808 207 H PHE 29 HN PHE 29 -15.480 11.893 -4.213 208 HA PHE 29 HA PHE 29 -14.308 9.261 -4.440 209 HB2 PHE 29 HB2 PHE 29 -14.014 10.414 -6.710 210 HB3 PHE 29 HB1 PHE 29 -12.989 11.578 -5.886 211 HD1 PHE 29 HD1 PHE 29 -13.324 7.860 -6.121 212 HD2 PHE 29 HD2 PHE 29 -10.730 11.235 -6.091 213 HE1 PHE 29 HE1 PHE 29 -11.393 6.376 -6.473 214 HE2 PHE 29 HE2 PHE 29 -8.797 9.755 -6.440 215 HZ PHE 29 HZ PHE 29 -9.128 7.322 -6.633 216 H TYR 30 HN TYR 30 -11.849 9.560 -3.669 217 HA TYR 30 HA TYR 30 -11.950 11.406 -1.372 218 HB2 TYR 30 HB2 TYR 30 -10.586 8.720 -1.626 219 HB3 TYR 30 HB1 TYR 30 -10.410 9.798 -0.249 220 HD1 TYR 30 HD1 TYR 30 -12.677 7.522 -2.023 221 HD2 TYR 30 HD2 TYR 30 -12.182 10.041 1.368 222 HE1 TYR 30 HE1 TYR 30 -14.647 6.490 -0.976 223 HE2 TYR 30 HE2 TYR 30 -14.149 9.019 2.422 224 HH TYR 30 HH TYR 30 -16.125 7.799 1.832 225 H THR 31 HN THR 31 -10.037 12.486 -0.760 226 HA THR 31 HA THR 31 -8.248 13.092 -2.901 227 HB THR 31 HB THR 31 -7.023 14.422 -1.119 228 HG1 THR 31 HG1 THR 31 -7.515 13.967 0.875 229 HG21 THR 31 HG21 THR 31 -8.748 16.142 -0.959 230 HG22 THR 31 HG22 THR 31 -9.982 14.965 -1.406 231 HG23 THR 31 HG23 THR 31 -8.740 15.426 -2.571 232 H SER 32 HN SER 32 -5.782 13.143 -2.231 233 HA SER 32 HA SER 32 -4.966 10.445 -2.060 234 HB2 SER 32 HB2 SER 32 -3.275 12.929 -1.728 235 HB3 SER 32 HB1 SER 32 -2.721 11.323 -2.205 236 HG SER 32 HG SER 32 -4.050 13.273 -3.678 237 H SER 33 HN SER 33 -4.125 9.290 -0.373 238 HA SER 33 HA SER 33 -4.781 10.151 2.272 239 HB2 SER 33 HB2 SER 33 -4.880 7.768 1.438 240 HB3 SER 33 HB1 SER 33 -3.120 7.760 1.461 241 HG SER 33 HG SER 33 -4.834 7.356 3.471 242 H LYS 34 HN LYS 34 -2.131 10.559 0.239 243 HA LYS 34 HA LYS 34 -0.021 10.749 2.139 244 HB2 LYS 34 HB2 LYS 34 -0.290 12.055 -0.581 245 HB3 LYS 34 HB1 LYS 34 1.197 11.906 0.340 246 HG2 LYS 34 HG2 LYS 34 -0.411 9.584 -0.703 247 HG3 LYS 34 HG1 LYS 34 1.004 10.270 -1.500 248 HD2 LYS 34 HD2 LYS 34 2.373 9.721 0.439 249 HD3 LYS 34 HD1 LYS 34 0.958 9.073 1.270 250 HE2 LYS 34 HE2 LYS 34 0.720 7.369 -0.469 251 HE3 LYS 34 HE1 LYS 34 2.123 8.025 -1.308 252 HZ1 LYS 34 HZ1 LYS 34 2.192 6.937 1.452 253 HZ2 LYS 34 HZ2 LYS 34 3.518 7.418 0.517 254 HZ3 LYS 34 HZ3 LYS 34 2.616 6.061 0.072 255 H CYS 35 HN CYS 35 -2.618 12.779 1.210 256 HA CYS 35 HA CYS 35 -1.487 15.285 1.957 257 HB2 CYS 35 HB2 CYS 35 -4.393 14.500 1.691 258 HB3 CYS 35 HB1 CYS 35 -3.747 16.137 1.693 259 H SER 36 HN SER 36 -1.974 16.525 3.801 260 HA SER 36 HA SER 36 -2.337 14.961 6.199 261 HB2 SER 36 HB2 SER 36 -1.911 17.939 5.898 262 HB3 SER 36 HB1 SER 36 -1.716 16.990 7.373 263 HG SER 36 HG SER 36 -0.108 15.761 6.109 264 H ASN 37 HN ASN 37 -4.427 16.245 4.066 265 HA ASN 37 HA ASN 37 -6.485 16.598 6.121 266 HB2 ASN 37 HB2 ASN 37 -5.978 18.826 5.311 267 HB3 ASN 37 HB1 ASN 37 -6.110 18.291 3.640 268 HD21 ASN 37 HD21 ASN 37 -8.126 17.993 2.732 269 HD22 ASN 37 HD22 ASN 37 -9.585 18.521 3.497 270 H LEU 38 HN LEU 38 -7.975 15.093 5.894 271 HA LEU 38 HA LEU 38 -8.273 13.664 3.403 272 HB2 LEU 38 HB2 LEU 38 -8.412 12.643 5.747 273 HB3 LEU 38 HB1 LEU 38 -9.978 13.406 5.888 274 HG LEU 38 HG LEU 38 -10.092 10.987 5.331 275 HD11 LEU 38 HD11 LEU 38 -11.213 12.804 3.218 276 HD12 LEU 38 HD12 LEU 38 -11.968 12.373 4.753 277 HD13 LEU 38 HD13 LEU 38 -11.719 11.141 3.517 278 HD21 LEU 38 HD21 LEU 38 -8.872 11.813 2.700 279 HD22 LEU 38 HD22 LEU 38 -9.493 10.214 3.102 280 HD23 LEU 38 HD23 LEU 38 -8.082 10.848 3.946 281 H ALA 39 HN ALA 39 -9.652 14.214 1.855 282 HA ALA 39 HA ALA 39 -12.104 15.621 2.545 283 HB1 ALA 39 HB1 ALA 39 -11.747 17.294 0.782 284 HB2 ALA 39 HB2 ALA 39 -10.134 16.640 0.492 285 HB3 ALA 39 HB3 ALA 39 -10.510 17.403 2.035 286 H VAL 40 HN VAL 40 -13.616 15.633 0.716 287 HA VAL 40 HA VAL 40 -13.099 13.343 -1.038 288 HB VAL 40 HB VAL 40 -15.544 13.077 -1.255 289 HG11 VAL 40 HG11 VAL 40 -14.558 13.008 1.591 290 HG12 VAL 40 HG12 VAL 40 -14.304 11.758 0.371 291 HG13 VAL 40 HG13 VAL 40 -15.932 12.110 0.944 292 HG21 VAL 40 HG21 VAL 40 -15.677 15.195 0.887 293 HG22 VAL 40 HG22 VAL 40 -17.036 14.227 0.308 294 HG23 VAL 40 HG23 VAL 40 -16.229 15.355 -0.781 295 H VAL 41 HN VAL 41 -13.986 13.453 -3.151 296 HA VAL 41 HA VAL 41 -14.118 16.213 -4.155 297 HB VAL 41 HB VAL 41 -12.897 13.840 -5.575 298 HG11 VAL 41 HG11 VAL 41 -13.833 15.444 -7.112 299 HG12 VAL 41 HG12 VAL 41 -12.071 15.538 -7.142 300 HG13 VAL 41 HG13 VAL 41 -13.003 16.763 -6.284 301 HG21 VAL 41 HG21 VAL 41 -11.510 14.500 -3.684 302 HG22 VAL 41 HG22 VAL 41 -11.542 16.177 -4.228 303 HG23 VAL 41 HG23 VAL 41 -10.737 14.949 -5.204 304 H PHE 42 HN PHE 42 -15.989 16.649 -5.040 305 HA PHE 42 HA PHE 42 -17.711 14.460 -5.906 306 HB2 PHE 42 HB2 PHE 42 -18.248 17.371 -5.344 307 HB3 PHE 42 HB1 PHE 42 -19.459 16.276 -5.990 308 HD1 PHE 42 HD1 PHE 42 -17.841 17.502 -3.054 309 HD2 PHE 42 HD2 PHE 42 -20.062 14.230 -4.615 310 HE1 PHE 42 HE1 PHE 42 -18.390 16.788 -0.768 311 HE2 PHE 42 HE2 PHE 42 -20.620 13.511 -2.334 312 HZ PHE 42 HZ PHE 42 -19.789 14.792 -0.404 313 H VAL 43 HN VAL 43 -17.979 14.011 -7.947 314 HA VAL 43 HA VAL 43 -16.978 15.889 -9.954 315 HB VAL 43 HB VAL 43 -17.605 12.929 -10.116 316 HG11 VAL 43 HG11 VAL 43 -16.790 13.009 -12.421 317 HG12 VAL 43 HG12 VAL 43 -16.653 14.766 -12.316 318 HG13 VAL 43 HG13 VAL 43 -18.237 13.994 -12.216 319 HG21 VAL 43 HG21 VAL 43 -15.017 14.468 -10.365 320 HG22 VAL 43 HG22 VAL 43 -15.195 12.725 -10.572 321 HG23 VAL 43 HG23 VAL 43 -15.508 13.462 -9.001 322 H THR 44 HN THR 44 -18.392 17.109 -10.952 323 HA THR 44 HA THR 44 -21.203 16.723 -10.600 324 HB THR 44 HB THR 44 -21.463 18.759 -11.957 325 HG1 THR 44 HG1 THR 44 -18.650 18.936 -12.080 326 HG21 THR 44 HG21 THR 44 -19.244 18.962 -9.922 327 HG22 THR 44 HG22 THR 44 -20.972 18.962 -9.558 328 HG23 THR 44 HG23 THR 44 -20.261 20.289 -10.480 329 H ARG 45 HN ARG 45 -22.611 17.181 -12.620 330 HA ARG 45 HA ARG 45 -22.393 14.934 -14.342 331 HB2 ARG 45 HB2 ARG 45 -24.159 17.369 -14.647 332 HB3 ARG 45 HB1 ARG 45 -24.387 15.819 -15.434 333 HG2 ARG 45 HG2 ARG 45 -24.443 16.158 -12.450 334 HG3 ARG 45 HG1 ARG 45 -25.875 16.309 -13.463 335 HD2 ARG 45 HD2 ARG 45 -25.578 14.019 -14.246 336 HD3 ARG 45 HD1 ARG 45 -24.110 13.869 -13.280 337 HE ARG 45 HE ARG 45 -25.400 13.801 -11.330 338 HH11 ARG 45 HH11 ARG 45 -27.423 14.125 -14.186 339 HH12 ARG 45 HH12 ARG 45 -28.876 13.686 -13.363 340 HH21 ARG 45 HH21 ARG 45 -27.329 13.231 -10.240 341 HH22 ARG 45 HH22 ARG 45 -28.826 13.193 -11.098 342 H ARG 46 HN ARG 46 -20.990 17.991 -14.425 343 HA ARG 46 HA ARG 46 -20.614 17.904 -17.336 344 HB2 ARG 46 HB2 ARG 46 -20.403 20.126 -15.320 345 HB3 ARG 46 HB1 ARG 46 -19.564 20.249 -16.857 346 HG2 ARG 46 HG2 ARG 46 -21.631 21.407 -17.058 347 HG3 ARG 46 HG1 ARG 46 -21.761 19.923 -17.998 348 HD2 ARG 46 HD2 ARG 46 -22.975 18.872 -16.144 349 HD3 ARG 46 HD1 ARG 46 -22.858 20.372 -15.225 350 HE ARG 46 HE ARG 46 -24.035 20.881 -17.731 351 HH11 ARG 46 HH11 ARG 46 -24.780 19.362 -14.664 352 HH12 ARG 46 HH12 ARG 46 -26.484 19.623 -14.794 353 HH21 ARG 46 HH21 ARG 46 -26.307 21.236 -17.898 354 HH22 ARG 46 HH22 ARG 46 -27.348 20.695 -16.631 355 H ASN 47 HN ASN 47 -19.269 16.361 -15.070 356 HA ASN 47 HA ASN 47 -17.255 15.430 -14.674 357 HB2 ASN 47 HB2 ASN 47 -16.784 16.643 -17.352 358 HB3 ASN 47 HB1 ASN 47 -15.385 16.081 -16.446 359 HD21 ASN 47 HD21 ASN 47 -18.333 15.148 -18.036 360 HD22 ASN 47 HD22 ASN 47 -17.992 13.458 -18.103 361 H ARG 48 HN ARG 48 -17.919 18.388 -13.959 362 HA ARG 48 HA ARG 48 -15.200 19.289 -13.419 363 HB2 ARG 48 HB2 ARG 48 -16.680 21.057 -14.119 364 HB3 ARG 48 HB1 ARG 48 -17.875 20.607 -12.908 365 HG2 ARG 48 HG2 ARG 48 -16.444 21.343 -11.128 366 HG3 ARG 48 HG1 ARG 48 -15.113 21.615 -12.251 367 HD2 ARG 48 HD2 ARG 48 -17.743 23.071 -12.401 368 HD3 ARG 48 HD1 ARG 48 -16.352 23.675 -11.504 369 HE ARG 48 HE ARG 48 -16.597 23.445 -14.416 370 HH11 ARG 48 HH11 ARG 48 -14.658 24.384 -11.625 371 HH12 ARG 48 HH12 ARG 48 -13.587 25.374 -12.558 372 HH21 ARG 48 HH21 ARG 48 -15.168 24.754 -15.626 373 HH22 ARG 48 HH22 ARG 48 -13.867 25.576 -14.832 374 H GLN 49 HN GLN 49 -14.226 19.079 -11.517 375 HA GLN 49 HA GLN 49 -15.742 17.654 -9.470 376 HB2 GLN 49 HB2 GLN 49 -13.415 17.145 -8.564 377 HB3 GLN 49 HB1 GLN 49 -13.903 16.354 -10.052 378 HG2 GLN 49 HG2 GLN 49 -12.666 18.103 -11.302 379 HG3 GLN 49 HG1 GLN 49 -12.057 18.707 -9.759 380 HE21 GLN 49 HE21 GLN 49 -11.986 15.982 -8.692 381 HE22 GLN 49 HE22 GLN 49 -10.574 15.245 -9.375 382 H VAL 50 HN VAL 50 -15.312 18.068 -7.242 383 HA VAL 50 HA VAL 50 -14.312 20.693 -6.505 384 HB VAL 50 HB VAL 50 -16.710 21.033 -7.115 385 HG11 VAL 50 HG11 VAL 50 -17.523 18.826 -6.624 386 HG12 VAL 50 HG12 VAL 50 -18.480 20.060 -5.796 387 HG13 VAL 50 HG13 VAL 50 -17.290 19.111 -4.900 388 HG21 VAL 50 HG21 VAL 50 -16.166 21.287 -4.162 389 HG22 VAL 50 HG22 VAL 50 -17.402 22.165 -5.065 390 HG23 VAL 50 HG23 VAL 50 -15.694 22.450 -5.401 391 H CYS 51 HN CYS 51 -13.526 20.666 -4.396 392 HA CYS 51 HA CYS 51 -13.719 18.068 -3.019 393 HB2 CYS 51 HB2 CYS 51 -11.878 20.337 -2.347 394 HB3 CYS 51 HB1 CYS 51 -11.778 18.672 -1.798 395 H ALA 52 HN ALA 52 -14.030 17.976 -0.758 396 HA ALA 52 HA ALA 52 -14.700 20.318 0.728 397 HB1 ALA 52 HB1 ALA 52 -16.999 19.704 1.262 398 HB2 ALA 52 HB2 ALA 52 -16.897 18.327 0.161 399 HB3 ALA 52 HB3 ALA 52 -16.805 19.974 -0.471 400 H ASN 53 HN ASN 53 -14.960 19.898 2.954 401 HA ASN 53 HA ASN 53 -13.461 17.623 3.858 402 HB2 ASN 53 HB2 ASN 53 -14.346 20.185 4.978 403 HB3 ASN 53 HB1 ASN 53 -14.381 18.861 6.137 404 HD21 ASN 53 HD21 ASN 53 -12.340 20.735 3.986 405 HD22 ASN 53 HD22 ASN 53 -10.850 20.330 4.765 406 HA PRO 54 HA PRO 54 -16.876 14.946 4.669 407 HB2 PRO 54 HB2 PRO 54 -15.703 13.218 6.364 408 HB3 PRO 54 HB1 PRO 54 -15.228 13.305 4.662 409 HG2 PRO 54 HG2 PRO 54 -13.937 14.592 7.044 410 HG3 PRO 54 HG1 PRO 54 -13.177 13.643 5.751 411 HD2 PRO 54 HD2 PRO 54 -13.150 16.329 5.732 412 HD3 PRO 54 HD1 PRO 54 -13.298 15.389 4.232 413 H GLU 55 HN GLU 55 -15.851 17.207 6.805 414 HA GLU 55 HA GLU 55 -17.297 16.182 9.104 415 HB2 GLU 55 HB2 GLU 55 -15.732 18.737 8.756 416 HB3 GLU 55 HB1 GLU 55 -16.445 18.175 10.265 417 HG2 GLU 55 HG2 GLU 55 -15.038 16.168 10.163 418 HG3 GLU 55 HG1 GLU 55 -14.296 16.782 8.688 419 H LYS 56 HN LYS 56 -18.140 17.680 6.354 420 HA LYS 56 HA LYS 56 -20.178 19.389 7.565 421 HB2 LYS 56 HB2 LYS 56 -19.357 18.944 4.692 422 HB3 LYS 56 HB1 LYS 56 -20.727 19.939 5.161 423 HG2 LYS 56 HG2 LYS 56 -17.874 20.429 5.994 424 HG3 LYS 56 HG1 LYS 56 -18.697 21.243 4.662 425 HD2 LYS 56 HD2 LYS 56 -20.360 22.121 6.246 426 HD3 LYS 56 HD1 LYS 56 -19.510 21.324 7.569 427 HE2 LYS 56 HE2 LYS 56 -17.503 22.660 7.043 428 HE3 LYS 56 HE1 LYS 56 -18.413 23.492 5.784 429 HZ1 LYS 56 HZ1 LYS 56 -19.218 23.465 8.636 430 HZ2 LYS 56 HZ2 LYS 56 -19.855 24.428 7.404 431 HZ3 LYS 56 HZ3 LYS 56 -18.277 24.684 7.946 432 H LYS 57 HN LYS 57 -22.244 18.796 7.735 433 HA LYS 57 HA LYS 57 -22.950 16.097 7.478 434 HB2 LYS 57 HB2 LYS 57 -23.973 17.703 9.064 435 HB3 LYS 57 HB1 LYS 57 -24.815 18.453 7.720 436 HG2 LYS 57 HG2 LYS 57 -26.143 16.535 7.348 437 HG3 LYS 57 HG1 LYS 57 -25.139 15.547 8.410 438 HD2 LYS 57 HD2 LYS 57 -26.815 17.899 9.292 439 HD3 LYS 57 HD1 LYS 57 -27.275 16.204 9.464 440 HE2 LYS 57 HE2 LYS 57 -25.254 15.836 10.847 441 HE3 LYS 57 HE1 LYS 57 -24.886 17.553 10.731 442 HZ1 LYS 57 HZ1 LYS 57 -25.993 17.038 12.793 443 HZ2 LYS 57 HZ2 LYS 57 -27.307 16.376 11.967 444 HZ3 LYS 57 HZ3 LYS 57 -26.979 18.032 11.845 445 H TRP 58 HN TRP 58 -23.462 18.839 5.325 446 HA TRP 58 HA TRP 58 -25.237 17.555 3.545 447 HB2 TRP 58 HB2 TRP 58 -23.337 19.862 3.246 448 HB3 TRP 58 HB1 TRP 58 -24.169 19.212 1.838 449 HD1 TRP 58 HD1 TRP 58 -24.569 21.791 4.374 450 HE1 TRP 58 HE1 TRP 58 -27.007 22.597 4.504 451 HE3 TRP 58 HE3 TRP 58 -26.806 18.028 1.742 452 HZ2 TRP 58 HZ2 TRP 58 -29.547 21.748 3.607 453 HZ3 TRP 58 HZ3 TRP 58 -29.243 18.097 1.421 454 HH2 TRP 58 HH2 TRP 58 -30.583 19.918 2.335 455 H VAL 59 HN VAL 59 -21.768 17.626 3.813 456 HA VAL 59 HA VAL 59 -21.203 16.287 1.385 457 HB VAL 59 HB VAL 59 -19.594 16.507 3.947 458 HG11 VAL 59 HG11 VAL 59 -18.895 14.538 2.672 459 HG12 VAL 59 HG12 VAL 59 -17.662 15.799 2.634 460 HG13 VAL 59 HG13 VAL 59 -18.700 15.540 1.233 461 HG21 VAL 59 HG21 VAL 59 -20.042 18.627 2.795 462 HG22 VAL 59 HG22 VAL 59 -19.344 17.964 1.318 463 HG23 VAL 59 HG23 VAL 59 -18.332 18.199 2.744 464 H GLN 60 HN GLN 60 -21.890 15.275 4.662 465 HA GLN 60 HA GLN 60 -21.350 12.523 4.332 466 HB2 GLN 60 HB2 GLN 60 -23.228 13.924 6.241 467 HB3 GLN 60 HB1 GLN 60 -22.729 12.242 6.368 468 HG2 GLN 60 HG2 GLN 60 -20.868 14.595 6.479 469 HG3 GLN 60 HG1 GLN 60 -21.512 13.758 7.886 470 HE21 GLN 60 HE21 GLN 60 -19.346 13.604 5.203 471 HE22 GLN 60 HE22 GLN 60 -18.472 12.207 5.712 472 H GLU 61 HN GLU 61 -24.245 14.492 4.008 473 HA GLU 61 HA GLU 61 -26.043 12.427 3.430 474 HB2 GLU 61 HB2 GLU 61 -26.001 15.323 2.586 475 HB3 GLU 61 HB1 GLU 61 -27.365 14.245 2.324 476 HG2 GLU 61 HG2 GLU 61 -26.219 14.771 5.038 477 HG3 GLU 61 HG1 GLU 61 -27.478 15.773 4.325 478 H TYR 62 HN TYR 62 -24.101 14.507 1.361 479 HA TYR 62 HA TYR 62 -25.058 13.384 -1.062 480 HB2 TYR 62 HB2 TYR 62 -22.758 15.167 -0.367 481 HB3 TYR 62 HB1 TYR 62 -22.842 14.449 -1.974 482 HD1 TYR 62 HD1 TYR 62 -25.146 16.189 0.413 483 HD2 TYR 62 HD2 TYR 62 -23.840 15.731 -3.605 484 HE1 TYR 62 HE1 TYR 62 -26.738 17.919 -0.291 485 HE2 TYR 62 HE2 TYR 62 -25.426 17.467 -4.318 486 HH TYR 62 HH TYR 62 -26.889 19.581 -2.291 487 H ILE 63 HN ILE 63 -22.307 12.667 0.980 488 HA ILE 63 HA ILE 63 -21.122 10.752 -0.728 489 HB ILE 63 HB ILE 63 -21.031 11.146 2.258 490 HG12 ILE 63 HG12 ILE 63 -18.893 11.362 0.125 491 HG13 ILE 63 HG11 ILE 63 -19.791 12.717 0.799 492 HG21 ILE 63 HG21 ILE 63 -19.313 9.398 2.405 493 HG22 ILE 63 HG22 ILE 63 -19.608 8.981 0.715 494 HG23 ILE 63 HG23 ILE 63 -20.883 8.755 1.915 495 HD11 ILE 63 HD11 ILE 63 -18.861 12.174 3.021 496 HD12 ILE 63 HD12 ILE 63 -17.635 12.600 1.832 497 HD13 ILE 63 HD13 ILE 63 -17.888 10.909 2.270 498 H ASN 64 HN ASN 64 -23.477 10.470 1.885 499 HA ASN 64 HA ASN 64 -23.740 7.673 1.754 500 HB2 ASN 64 HB2 ASN 64 -24.786 8.105 3.682 501 HB3 ASN 64 HB1 ASN 64 -24.831 9.818 3.300 502 HD21 ASN 64 HD21 ASN 64 -26.666 10.681 2.397 503 HD22 ASN 64 HD22 ASN 64 -28.201 9.882 2.462 504 H TYR 65 HN TYR 65 -25.311 10.269 0.018 505 HA TYR 65 HA TYR 65 -27.292 8.576 -1.194 506 HB2 TYR 65 HB2 TYR 65 -26.353 11.373 -1.820 507 HB3 TYR 65 HB1 TYR 65 -27.547 10.545 -2.805 508 HD1 TYR 65 HD1 TYR 65 -27.360 13.035 -0.615 509 HD2 TYR 65 HD2 TYR 65 -29.321 9.279 -0.938 510 HE1 TYR 65 HE1 TYR 65 -29.123 13.838 0.887 511 HE2 TYR 65 HE2 TYR 65 -31.093 10.071 0.568 512 HH TYR 65 HH TYR 65 -31.278 11.830 2.403 513 H LEU 66 HN LEU 66 -24.182 9.916 -2.202 514 HA LEU 66 HA LEU 66 -24.420 8.775 -4.816 515 HB2 LEU 66 HB2 LEU 66 -22.076 10.070 -3.441 516 HB3 LEU 66 HB1 LEU 66 -22.064 9.527 -5.108 517 HG LEU 66 HG LEU 66 -23.868 11.653 -3.970 518 HD11 LEU 66 HD11 LEU 66 -21.547 12.359 -4.047 519 HD12 LEU 66 HD12 LEU 66 -22.493 13.190 -5.280 520 HD13 LEU 66 HD13 LEU 66 -21.434 11.855 -5.732 521 HD21 LEU 66 HD21 LEU 66 -24.882 10.424 -5.836 522 HD22 LEU 66 HD22 LEU 66 -23.452 10.741 -6.818 523 HD23 LEU 66 HD23 LEU 66 -24.475 12.076 -6.290 524 H GLU 67 HN GLU 67 -23.218 7.601 -1.795 525 HA GLU 67 HA GLU 67 -21.600 5.548 -2.989 526 HB2 GLU 67 HB2 GLU 67 -21.312 4.664 -0.779 527 HB3 GLU 67 HB1 GLU 67 -21.210 6.414 -0.677 528 HG2 GLU 67 HG2 GLU 67 -23.449 6.532 0.197 529 HG3 GLU 67 HG1 GLU 67 -23.645 4.792 0.003 530 H MET 68 HN MET 68 -24.914 5.880 -1.961 531 HA MET 68 HA MET 68 -25.439 3.063 -2.391 532 HB2 MET 68 HB2 MET 68 -27.735 3.550 -1.751 533 HB3 MET 68 HB1 MET 68 -26.632 4.253 -0.582 534 HG2 MET 68 HG2 MET 68 -26.958 6.455 -1.585 535 HG3 MET 68 HG1 MET 68 -28.038 5.742 -2.788 536 HE1 MET 68 HE1 MET 68 -29.553 3.564 -0.811 537 HE2 MET 68 HE2 MET 68 -30.319 4.481 -2.106 538 HE3 MET 68 HE3 MET 68 -31.007 4.506 -0.483 539 H SER 69 HN SER 69 -25.498 6.012 -4.102 540 HA SER 69 HA SER 69 -26.012 6.615 -6.216 541 HB2 SER 69 HB2 SER 69 -24.389 4.682 -6.583 542 HB3 SER 69 HB1 SER 69 -25.801 3.680 -6.911 543 HG SER 69 HG SER 69 -24.524 5.087 -8.641 544 H1 MET 1 HT1 MET 1 -19.312 35.986 -14.562 545 HA MET 1 HA MET 1 -19.081 34.678 -12.606 546 HB2 MET 1 HB2 MET 1 -20.269 33.177 -14.945 547 HB3 MET 1 HB1 MET 1 -20.539 32.751 -13.261 548 HG2 MET 1 HG2 MET 1 -21.591 34.920 -12.878 549 HG3 MET 1 HG1 MET 1 -21.311 35.353 -14.562 550 HE1 MET 1 HE1 MET 1 -21.956 32.666 -16.131 551 HE2 MET 1 HE2 MET 1 -22.535 34.263 -16.605 552 HE3 MET 1 HE3 MET 1 -23.666 32.916 -16.485 553 H SER 2 HN SER 2 -17.724 33.452 -11.512 554 HA SER 2 HA SER 2 -16.403 31.221 -12.855 555 HB2 SER 2 HB2 SER 2 -15.000 33.294 -11.141 556 HB3 SER 2 HB1 SER 2 -14.259 31.821 -11.763 557 HG SER 2 HG SER 2 -14.987 32.722 -13.909 558 HA PRO 3 HA PRO 3 -17.370 29.014 -9.126 559 HB2 PRO 3 HB2 PRO 3 -14.721 27.721 -9.216 560 HB3 PRO 3 HB1 PRO 3 -16.323 26.994 -9.375 561 HG2 PRO 3 HG2 PRO 3 -14.666 27.213 -11.473 562 HG3 PRO 3 HG1 PRO 3 -16.422 27.390 -11.650 563 HD2 PRO 3 HD2 PRO 3 -14.306 29.505 -11.520 564 HD3 PRO 3 HD1 PRO 3 -15.729 29.394 -12.580 565 H TYR 4 HN TYR 4 -16.716 28.751 -6.895 566 HA TYR 4 HA TYR 4 -15.478 31.047 -5.831 567 HB2 TYR 4 HB2 TYR 4 -17.214 29.768 -4.632 568 HB3 TYR 4 HB1 TYR 4 -16.091 28.426 -4.449 569 HD1 TYR 4 HD1 TYR 4 -16.462 32.039 -3.637 570 HD2 TYR 4 HD2 TYR 4 -14.758 28.303 -2.533 571 HE1 TYR 4 HE1 TYR 4 -15.655 33.035 -1.544 572 HE2 TYR 4 HE2 TYR 4 -13.944 29.291 -0.431 573 HH TYR 4 HH TYR 4 -15.038 32.259 0.722 574 H GLY 5 HN GLY 5 -14.356 27.718 -6.222 575 HA2 GLY 5 HA2 GLY 5 -11.995 27.433 -6.817 576 HA3 GLY 5 HA1 GLY 5 -11.630 28.695 -5.645 577 H SER 6 HN SER 6 -13.040 25.477 -5.939 578 HA SER 6 HA SER 6 -11.719 24.682 -3.489 579 HB2 SER 6 HB2 SER 6 -14.728 24.586 -3.800 580 HB3 SER 6 HB1 SER 6 -13.827 23.813 -2.499 581 HG SER 6 HG SER 6 -13.057 26.356 -2.668 582 H ASP 7 HN ASP 7 -10.779 23.634 -5.610 583 HA ASP 7 HA ASP 7 -11.976 20.988 -5.709 584 HB2 ASP 7 HB2 ASP 7 -11.648 20.831 -8.156 585 HB3 ASP 7 HB1 ASP 7 -12.889 21.973 -7.682 586 H THR 8 HN THR 8 -10.456 19.567 -7.219 587 HA THR 8 HA THR 8 -8.325 18.909 -5.685 588 HB THR 8 HB THR 8 -7.406 17.804 -7.843 589 HG1 THR 8 HG1 THR 8 -8.536 18.093 -9.605 590 HG21 THR 8 HG21 THR 8 -8.616 16.620 -6.082 591 HG22 THR 8 HG22 THR 8 -9.112 16.047 -7.676 592 HG23 THR 8 HG23 THR 8 -10.154 17.145 -6.772 593 H THR 9 HN THR 9 -6.576 19.861 -5.155 594 HA THR 9 HA THR 9 -5.331 21.756 -6.986 595 HB THR 9 HB THR 9 -4.907 21.344 -4.017 596 HG1 THR 9 HG1 THR 9 -7.016 22.271 -4.984 597 HG21 THR 9 HG21 THR 9 -3.751 23.485 -4.099 598 HG22 THR 9 HG22 THR 9 -4.031 23.593 -5.837 599 HG23 THR 9 HG23 THR 9 -2.976 22.336 -5.189 600 HA PRO 10 HA PRO 10 -2.269 18.487 -7.505 601 HB2 PRO 10 HB2 PRO 10 -0.753 19.850 -9.327 602 HB3 PRO 10 HB1 PRO 10 -2.205 18.941 -9.756 603 HG2 PRO 10 HG2 PRO 10 -1.842 21.875 -9.383 604 HG3 PRO 10 HG1 PRO 10 -2.856 21.007 -10.548 605 HD2 PRO 10 HD2 PRO 10 -3.813 22.188 -8.277 606 HD3 PRO 10 HD1 PRO 10 -4.587 20.799 -9.065 607 H CYS 11 HN CYS 11 -1.040 18.379 -5.739 608 HA CYS 11 HA CYS 11 0.936 20.513 -5.312 609 HB2 CYS 11 HB2 CYS 11 -0.944 20.518 -3.623 610 HB3 CYS 11 HB1 CYS 11 -0.415 18.915 -3.125 611 H CYS 12 HN CYS 12 2.836 19.679 -4.007 612 HA CYS 12 HA CYS 12 3.261 16.882 -3.910 613 HB2 CYS 12 HB2 CYS 12 3.515 17.697 -6.412 614 HB3 CYS 12 HB1 CYS 12 5.110 18.182 -5.844 615 H PHE 13 HN PHE 13 5.418 16.352 -3.153 616 HA PHE 13 HA PHE 13 7.026 18.518 -2.093 617 HB2 PHE 13 HB2 PHE 13 6.880 17.382 0.223 618 HB3 PHE 13 HB1 PHE 13 5.578 18.465 -0.261 619 HD1 PHE 13 HD1 PHE 13 6.536 14.902 0.100 620 HD2 PHE 13 HD2 PHE 13 3.352 17.677 -0.428 621 HE1 PHE 13 HE1 PHE 13 4.909 13.113 0.541 622 HE2 PHE 13 HE2 PHE 13 1.720 15.890 0.011 623 HZ PHE 13 HZ PHE 13 2.497 13.606 0.496 624 H ALA 14 HN ALA 14 7.705 16.659 -4.020 625 HA ALA 14 HA ALA 14 9.300 14.703 -2.544 626 HB1 ALA 14 HB1 ALA 14 9.323 13.402 -4.599 627 HB2 ALA 14 HB2 ALA 14 8.387 14.662 -5.410 628 HB3 ALA 14 HB3 ALA 14 7.673 13.752 -4.078 629 H TYR 15 HN TYR 15 11.242 14.078 -4.141 630 HA TYR 15 HA TYR 15 12.483 16.548 -5.107 631 HB2 TYR 15 HB2 TYR 15 14.625 15.844 -4.005 632 HB3 TYR 15 HB1 TYR 15 13.358 16.333 -2.885 633 HD1 TYR 15 HD1 TYR 15 15.425 13.569 -4.063 634 HD2 TYR 15 HD2 TYR 15 12.206 14.663 -1.517 635 HE1 TYR 15 HE1 TYR 15 15.635 11.420 -2.886 636 HE2 TYR 15 HE2 TYR 15 12.405 12.519 -0.328 637 HH TYR 15 HH TYR 15 15.071 10.452 -0.709 638 H LEU 16 HN LEU 16 11.614 13.436 -5.674 639 HA LEU 16 HA LEU 16 12.126 11.803 -7.127 640 HB2 LEU 16 HB2 LEU 16 11.669 13.628 -8.702 641 HB3 LEU 16 HB1 LEU 16 13.362 14.073 -8.680 642 HG LEU 16 HG LEU 16 13.914 11.860 -9.654 643 HD11 LEU 16 HD11 LEU 16 10.918 11.562 -9.842 644 HD12 LEU 16 HD12 LEU 16 12.015 10.577 -8.875 645 HD13 LEU 16 HD13 LEU 16 12.099 10.520 -10.635 646 HD21 LEU 16 HD21 LEU 16 11.938 13.520 -11.219 647 HD22 LEU 16 HD22 LEU 16 13.084 12.369 -11.906 648 HD23 LEU 16 HD23 LEU 16 13.671 13.816 -11.086 649 H SER 17 HN SER 17 13.451 10.517 -6.044 650 HA SER 17 HA SER 17 16.113 10.963 -5.398 651 HB2 SER 17 HB2 SER 17 14.734 8.332 -5.889 652 HB3 SER 17 HB1 SER 17 16.186 8.588 -4.913 653 HG SER 17 HG SER 17 14.974 9.213 -3.320 654 H LEU 18 HN LEU 18 14.661 9.816 -8.351 655 HA LEU 18 HA LEU 18 17.348 9.421 -9.457 656 HB2 LEU 18 HB2 LEU 18 14.747 8.076 -10.154 657 HB3 LEU 18 HB1 LEU 18 16.079 8.113 -11.286 658 HG LEU 18 HG LEU 18 16.115 5.997 -10.209 659 HD11 LEU 18 HD11 LEU 18 18.252 7.687 -8.930 660 HD12 LEU 18 HD12 LEU 18 18.294 7.048 -10.572 661 HD13 LEU 18 HD13 LEU 18 18.301 5.945 -9.197 662 HD21 LEU 18 HD21 LEU 18 16.268 5.719 -7.777 663 HD22 LEU 18 HD22 LEU 18 14.766 6.511 -8.251 664 HD23 LEU 18 HD23 LEU 18 16.087 7.461 -7.570 665 H ALA 19 HN ALA 19 17.617 11.578 -9.935 666 HA ALA 19 HA ALA 19 15.746 13.145 -11.343 667 HB1 ALA 19 HB1 ALA 19 18.744 13.485 -11.187 668 HB2 ALA 19 HB2 ALA 19 17.581 14.111 -10.020 669 HB3 ALA 19 HB3 ALA 19 17.581 14.718 -11.675 670 H LEU 20 HN LEU 20 15.086 12.871 -13.329 671 HA LEU 20 HA LEU 20 16.458 11.207 -15.182 672 HB2 LEU 20 HB2 LEU 20 14.621 11.958 -16.761 673 HB3 LEU 20 HB1 LEU 20 14.116 11.112 -15.317 674 HG LEU 20 HG LEU 20 13.716 13.497 -14.349 675 HD11 LEU 20 HD11 LEU 20 13.633 14.084 -17.300 676 HD12 LEU 20 HD12 LEU 20 14.783 14.743 -16.136 677 HD13 LEU 20 HD13 LEU 20 13.072 15.153 -16.013 678 HD21 LEU 20 HD21 LEU 20 11.947 12.295 -16.469 679 HD22 LEU 20 HD22 LEU 20 11.445 13.497 -15.281 680 HD23 LEU 20 HD23 LEU 20 11.955 11.894 -14.751 681 HA PRO 21 HA PRO 21 19.109 14.110 -17.119 682 HB2 PRO 21 HB2 PRO 21 19.220 13.065 -19.641 683 HB3 PRO 21 HB1 PRO 21 20.076 12.376 -18.258 684 HG2 PRO 21 HG2 PRO 21 17.481 11.543 -19.489 685 HG3 PRO 21 HG1 PRO 21 18.817 10.537 -18.902 686 HD2 PRO 21 HD2 PRO 21 16.572 10.921 -17.468 687 HD3 PRO 21 HD1 PRO 21 18.160 10.727 -16.700 688 H ARG 22 HN ARG 22 19.243 15.751 -18.692 689 HA ARG 22 HA ARG 22 16.880 17.191 -19.166 690 HB2 ARG 22 HB2 ARG 22 19.715 17.457 -20.019 691 HB3 ARG 22 HB1 ARG 22 18.505 18.422 -20.850 692 HG2 ARG 22 HG2 ARG 22 18.020 19.668 -18.979 693 HG3 ARG 22 HG1 ARG 22 18.591 18.419 -17.870 694 HD2 ARG 22 HD2 ARG 22 20.414 19.913 -19.733 695 HD3 ARG 22 HD1 ARG 22 20.056 20.462 -18.095 696 HE ARG 22 HE ARG 22 20.843 17.839 -17.843 697 HH11 ARG 22 HH11 ARG 22 22.317 20.717 -19.209 698 HH12 ARG 22 HH12 ARG 22 23.914 20.290 -18.694 699 HH21 ARG 22 HH21 ARG 22 22.977 17.298 -17.151 700 HH22 ARG 22 HH22 ARG 22 24.280 18.373 -17.513 701 H ALA 23 HN ALA 23 18.501 14.809 -21.040 702 HA ALA 23 HA ALA 23 17.236 15.421 -23.531 703 HB1 ALA 23 HB1 ALA 23 19.341 14.189 -23.429 704 HB2 ALA 23 HB2 ALA 23 18.099 13.261 -24.270 705 HB3 ALA 23 HB3 ALA 23 18.527 12.858 -22.607 706 H HIS 24 HN HIS 24 16.111 14.024 -20.661 707 HA HIS 24 HA HIS 24 13.999 12.583 -22.078 708 HB2 HIS 24 HB2 HIS 24 15.171 12.308 -19.334 709 HB3 HIS 24 HB1 HIS 24 13.570 11.685 -19.692 710 HD1 HIS 24 HD1 HIS 24 14.322 9.222 -19.390 711 HD2 HIS 24 HD2 HIS 24 16.424 11.273 -22.336 712 HE1 HIS 24 HE1 HIS 24 15.569 7.470 -20.672 713 H VAL 25 HN VAL 25 14.637 15.420 -20.326 714 HA VAL 25 HA VAL 25 11.845 15.731 -19.551 715 HB VAL 25 HB VAL 25 13.822 16.366 -18.006 716 HG11 VAL 25 HG11 VAL 25 14.769 18.556 -18.233 717 HG12 VAL 25 HG12 VAL 25 13.774 18.891 -19.641 718 HG13 VAL 25 HG13 VAL 25 15.047 17.671 -19.737 719 HG21 VAL 25 HG21 VAL 25 12.569 18.222 -17.024 720 HG22 VAL 25 HG22 VAL 25 11.504 16.901 -17.507 721 HG23 VAL 25 HG23 VAL 25 11.612 18.354 -18.499 722 H LYS 26 HN LYS 26 10.625 17.563 -20.221 723 HA LYS 26 HA LYS 26 11.505 18.629 -22.816 724 HB2 LYS 26 HB2 LYS 26 9.499 17.192 -22.916 725 HB3 LYS 26 HB1 LYS 26 8.696 18.234 -21.754 726 HG2 LYS 26 HG2 LYS 26 8.538 20.007 -23.303 727 HG3 LYS 26 HG1 LYS 26 9.670 19.234 -24.411 728 HD2 LYS 26 HD2 LYS 26 7.521 18.893 -25.344 729 HD3 LYS 26 HD1 LYS 26 7.983 17.355 -24.621 730 HE2 LYS 26 HE2 LYS 26 5.727 17.697 -24.014 731 HE3 LYS 26 HE1 LYS 26 6.669 18.082 -22.575 732 HZ1 LYS 26 HZ1 LYS 26 4.851 19.684 -23.125 733 HZ2 LYS 26 HZ2 LYS 26 5.728 20.138 -24.493 734 HZ3 LYS 26 HZ3 LYS 26 6.371 20.400 -22.954 735 H GLU 27 HN GLU 27 9.985 19.399 -19.730 736 HA GLU 27 HA GLU 27 10.961 22.083 -19.808 737 HB2 GLU 27 HB2 GLU 27 8.772 23.182 -19.750 738 HB3 GLU 27 HB1 GLU 27 9.022 22.332 -21.271 739 HG2 GLU 27 HG2 GLU 27 7.692 20.456 -20.391 740 HG3 GLU 27 HG1 GLU 27 7.375 21.409 -18.939 741 H TYR 28 HN TYR 28 9.804 23.338 -17.918 742 HA TYR 28 HA TYR 28 9.219 21.520 -15.704 743 HB2 TYR 28 HB2 TYR 28 10.701 22.648 -14.198 744 HB3 TYR 28 HB1 TYR 28 11.642 22.267 -15.633 745 HD1 TYR 28 HD1 TYR 28 10.582 24.835 -13.389 746 HD2 TYR 28 HD2 TYR 28 11.998 24.151 -17.346 747 HE1 TYR 28 HE1 TYR 28 11.229 27.206 -13.567 748 HE2 TYR 28 HE2 TYR 28 12.653 26.515 -17.530 749 HH TYR 28 HH TYR 28 12.056 28.671 -16.518 750 H PHE 29 HN PHE 29 8.196 22.676 -13.874 751 HA PHE 29 HA PHE 29 6.984 25.241 -14.384 752 HB2 PHE 29 HB2 PHE 29 5.581 23.531 -15.668 753 HB3 PHE 29 HB1 PHE 29 5.181 22.814 -14.115 754 HD1 PHE 29 HD1 PHE 29 5.250 26.257 -15.578 755 HD2 PHE 29 HD2 PHE 29 3.090 23.348 -13.346 756 HE1 PHE 29 HE1 PHE 29 3.367 27.825 -15.363 757 HE2 PHE 29 HE2 PHE 29 1.205 24.913 -13.125 758 HZ PHE 29 HZ PHE 29 1.342 27.154 -14.134 759 H TYR 30 HN TYR 30 5.239 25.507 -12.441 760 HA TYR 30 HA TYR 30 6.583 24.444 -10.051 761 HB2 TYR 30 HB2 TYR 30 5.377 27.148 -10.578 762 HB3 TYR 30 HB1 TYR 30 5.630 26.559 -8.938 763 HD1 TYR 30 HD1 TYR 30 7.334 27.553 -12.066 764 HD2 TYR 30 HD2 TYR 30 7.798 26.489 -7.977 765 HE1 TYR 30 HE1 TYR 30 9.674 28.315 -12.138 766 HE2 TYR 30 HE2 TYR 30 10.135 27.248 -8.035 767 HH TYR 30 HH TYR 30 11.401 29.103 -10.558 768 H THR 31 HN THR 31 5.250 24.150 -8.141 769 HA THR 31 HA THR 31 2.786 22.864 -8.772 770 HB THR 31 HB THR 31 2.621 22.647 -6.232 771 HG1 THR 31 HG1 THR 31 3.896 24.070 -5.285 772 HG21 THR 31 HG21 THR 31 4.365 20.940 -6.133 773 HG22 THR 31 HG22 THR 31 5.126 21.616 -7.574 774 HG23 THR 31 HG23 THR 31 3.527 20.879 -7.684 775 H SER 32 HN SER 32 0.861 23.344 -7.207 776 HA SER 32 HA SER 32 -0.194 25.847 -7.905 777 HB2 SER 32 HB2 SER 32 -1.107 23.985 -5.709 778 HB3 SER 32 HB1 SER 32 -2.082 25.205 -6.530 779 HG SER 32 HG SER 32 -1.269 22.691 -7.382 780 H SER 33 HN SER 33 -0.730 27.649 -6.551 781 HA SER 33 HA SER 33 1.364 28.228 -4.681 782 HB2 SER 33 HB2 SER 33 0.319 29.892 -6.321 783 HB3 SER 33 HB1 SER 33 -1.040 29.969 -5.200 784 HG SER 33 HG SER 33 0.099 31.316 -4.072 785 H LYS 34 HN LYS 34 -1.650 26.768 -4.439 786 HA LYS 34 HA LYS 34 -2.275 27.611 -1.767 787 HB2 LYS 34 HB2 LYS 34 -3.290 25.249 -3.355 788 HB3 LYS 34 HB1 LYS 34 -3.943 25.782 -1.816 789 HG2 LYS 34 HG2 LYS 34 -3.995 27.287 -4.422 790 HG3 LYS 34 HG1 LYS 34 -5.361 26.535 -3.601 791 HD2 LYS 34 HD2 LYS 34 -5.063 28.078 -1.710 792 HD3 LYS 34 HD1 LYS 34 -3.714 28.840 -2.555 793 HE2 LYS 34 HE2 LYS 34 -5.247 29.450 -4.389 794 HE3 LYS 34 HE1 LYS 34 -6.582 28.745 -3.480 795 HZ1 LYS 34 HZ1 LYS 34 -6.533 31.109 -3.157 796 HZ2 LYS 34 HZ2 LYS 34 -4.920 31.060 -2.656 797 HZ3 LYS 34 HZ3 LYS 34 -6.119 30.351 -1.703 798 H CYS 35 HN CYS 35 -0.120 25.434 -3.185 799 HA CYS 35 HA CYS 35 0.007 23.439 -1.195 800 HB2 CYS 35 HB2 CYS 35 2.132 24.370 -3.131 801 HB3 CYS 35 HB1 CYS 35 2.162 22.865 -2.218 802 H SER 36 HN SER 36 1.021 23.387 0.706 803 HA SER 36 HA SER 36 2.155 25.774 1.790 804 HB2 SER 36 HB2 SER 36 0.852 24.129 3.148 805 HB3 SER 36 HB1 SER 36 2.165 22.971 2.944 806 HG SER 36 HG SER 36 3.452 24.900 3.851 807 H ASN 37 HN ASN 37 3.326 23.178 -0.020 808 HA ASN 37 HA ASN 37 6.105 23.877 0.638 809 HB2 ASN 37 HB2 ASN 37 5.678 21.565 1.261 810 HB3 ASN 37 HB1 ASN 37 4.974 21.234 -0.318 811 HD21 ASN 37 HD21 ASN 37 6.319 20.947 -2.091 812 HD22 ASN 37 HD22 ASN 37 8.033 20.753 -1.936 813 H LEU 38 HN LEU 38 7.106 24.918 -0.946 814 HA LEU 38 HA LEU 38 5.911 25.064 -3.559 815 HB2 LEU 38 HB2 LEU 38 7.031 27.000 -2.353 816 HB3 LEU 38 HB1 LEU 38 8.560 26.207 -2.646 817 HG LEU 38 HG LEU 38 8.008 28.102 -4.207 818 HD11 LEU 38 HD11 LEU 38 8.513 25.412 -5.425 819 HD12 LEU 38 HD12 LEU 38 9.702 26.574 -4.830 820 HD13 LEU 38 HD13 LEU 38 8.732 26.958 -6.246 821 HD21 LEU 38 HD21 LEU 38 5.998 26.150 -5.322 822 HD22 LEU 38 HD22 LEU 38 6.438 27.707 -6.023 823 HD23 LEU 38 HD23 LEU 38 5.615 27.643 -4.465 824 H ALA 39 HN ALA 39 6.337 23.710 -5.151 825 HA ALA 39 HA ALA 39 8.952 22.421 -5.282 826 HB1 ALA 39 HB1 ALA 39 7.922 20.255 -5.780 827 HB2 ALA 39 HB2 ALA 39 6.326 20.952 -5.500 828 HB3 ALA 39 HB3 ALA 39 7.477 20.823 -4.170 829 H VAL 40 HN VAL 40 9.209 21.320 -7.471 830 HA VAL 40 HA VAL 40 7.735 22.878 -9.467 831 HB VAL 40 HB VAL 40 9.624 22.828 -10.958 832 HG11 VAL 40 HG11 VAL 40 10.473 23.754 -8.225 833 HG12 VAL 40 HG12 VAL 40 9.522 24.669 -9.398 834 HG13 VAL 40 HG13 VAL 40 11.194 24.247 -9.759 835 HG21 VAL 40 HG21 VAL 40 11.120 21.339 -8.806 836 HG22 VAL 40 HG22 VAL 40 11.785 21.929 -10.334 837 HG23 VAL 40 HG23 VAL 40 10.553 20.669 -10.338 838 H VAL 41 HN VAL 41 7.564 21.856 -11.553 839 HA VAL 41 HA VAL 41 7.283 18.939 -11.332 840 HB VAL 41 HB VAL 41 5.368 20.845 -12.700 841 HG11 VAL 41 HG11 VAL 41 3.982 18.890 -13.075 842 HG12 VAL 41 HG12 VAL 41 5.207 17.860 -12.334 843 HG13 VAL 41 HG13 VAL 41 5.557 18.700 -13.846 844 HG21 VAL 41 HG21 VAL 41 5.163 20.969 -10.274 845 HG22 VAL 41 HG22 VAL 41 5.008 19.214 -10.185 846 HG23 VAL 41 HG23 VAL 41 3.756 20.171 -10.979 847 H PHE 42 HN PHE 42 8.381 17.919 -12.862 848 HA PHE 42 HA PHE 42 9.234 19.437 -15.220 849 HB2 PHE 42 HB2 PHE 42 10.274 16.883 -13.998 850 HB3 PHE 42 HB1 PHE 42 10.816 17.504 -15.550 851 HD1 PHE 42 HD1 PHE 42 11.122 17.716 -11.984 852 HD2 PHE 42 HD2 PHE 42 11.961 19.716 -15.640 853 HE1 PHE 42 HE1 PHE 42 12.795 19.114 -10.837 854 HE2 PHE 42 HE2 PHE 42 13.631 21.112 -14.509 855 HZ PHE 42 HZ PHE 42 14.058 20.813 -12.107 856 H VAL 43 HN VAL 43 8.430 19.012 -17.134 857 HA VAL 43 HA VAL 43 6.699 16.666 -17.400 858 HB VAL 43 HB VAL 43 6.866 19.181 -19.084 859 HG11 VAL 43 HG11 VAL 43 6.335 17.247 -20.479 860 HG12 VAL 43 HG12 VAL 43 4.936 18.306 -20.307 861 HG13 VAL 43 HG13 VAL 43 5.025 16.806 -19.383 862 HG21 VAL 43 HG21 VAL 43 4.715 18.153 -17.232 863 HG22 VAL 43 HG22 VAL 43 4.598 19.599 -18.235 864 HG23 VAL 43 HG23 VAL 43 5.783 19.524 -16.931 865 H THR 44 HN THR 44 7.511 14.997 -18.377 866 HA THR 44 HA THR 44 10.082 15.058 -19.605 867 HB THR 44 HB THR 44 9.717 12.657 -20.006 868 HG1 THR 44 HG1 THR 44 7.203 12.933 -18.743 869 HG21 THR 44 HG21 THR 44 9.450 11.969 -17.681 870 HG22 THR 44 HG22 THR 44 8.762 13.543 -17.286 871 HG23 THR 44 HG23 THR 44 10.453 13.419 -17.779 872 H ARG 45 HN ARG 45 10.357 13.784 -21.731 873 HA ARG 45 HA ARG 45 9.133 15.213 -23.838 874 HB2 ARG 45 HB2 ARG 45 10.680 12.612 -23.889 875 HB3 ARG 45 HB1 ARG 45 10.240 13.537 -25.317 876 HG2 ARG 45 HG2 ARG 45 11.951 14.599 -23.083 877 HG3 ARG 45 HG1 ARG 45 12.582 13.864 -24.558 878 HD2 ARG 45 HD2 ARG 45 11.616 15.585 -25.908 879 HD3 ARG 45 HD1 ARG 45 10.733 16.245 -24.534 880 HE ARG 45 HE ARG 45 12.956 16.799 -23.577 881 HH11 ARG 45 HH11 ARG 45 12.602 16.440 -27.054 882 HH12 ARG 45 HH12 ARG 45 13.952 17.457 -27.416 883 HH21 ARG 45 HH21 ARG 45 14.718 18.154 -24.066 884 HH22 ARG 45 HH22 ARG 45 15.155 18.439 -25.714 885 H ARG 46 HN ARG 46 8.191 12.455 -22.061 886 HA ARG 46 HA ARG 46 6.326 11.459 -24.046 887 HB2 ARG 46 HB2 ARG 46 6.959 10.667 -21.202 888 HB3 ARG 46 HB1 ARG 46 5.591 9.991 -22.063 889 HG2 ARG 46 HG2 ARG 46 7.393 8.440 -22.178 890 HG3 ARG 46 HG1 ARG 46 7.176 9.133 -23.783 891 HD2 ARG 46 HD2 ARG 46 9.090 10.503 -23.542 892 HD3 ARG 46 HD1 ARG 46 9.195 10.173 -21.814 893 HE ARG 46 HE ARG 46 9.571 7.750 -22.670 894 HH11 ARG 46 HH11 ARG 46 10.737 10.642 -24.278 895 HH12 ARG 46 HH12 ARG 46 12.198 9.904 -24.829 896 HH21 ARG 46 HH21 ARG 46 11.505 6.773 -23.397 897 HH22 ARG 46 HH22 ARG 46 12.634 7.693 -24.335 898 H ASN 47 HN ASN 47 6.361 14.133 -22.305 899 HA ASN 47 HA ASN 47 4.851 15.636 -21.571 900 HB2 ASN 47 HB2 ASN 47 2.877 13.756 -22.870 901 HB3 ASN 47 HB1 ASN 47 2.428 15.318 -22.186 902 HD21 ASN 47 HD21 ASN 47 3.882 13.659 -24.825 903 HD22 ASN 47 HD22 ASN 47 4.150 15.043 -25.825 904 H ARG 48 HN ARG 48 5.605 13.115 -20.120 905 HA ARG 48 HA ARG 48 3.417 12.865 -18.202 906 HB2 ARG 48 HB2 ARG 48 4.538 10.836 -19.069 907 HB3 ARG 48 HB1 ARG 48 6.062 11.416 -18.424 908 HG2 ARG 48 HG2 ARG 48 5.184 11.236 -16.162 909 HG3 ARG 48 HG1 ARG 48 3.634 10.681 -16.807 910 HD2 ARG 48 HD2 ARG 48 4.768 8.781 -17.853 911 HD3 ARG 48 HD1 ARG 48 6.296 9.317 -17.161 912 HE ARG 48 HE ARG 48 4.667 9.058 -15.012 913 HH11 ARG 48 HH11 ARG 48 5.553 6.934 -17.659 914 HH12 ARG 48 HH12 ARG 48 5.410 5.491 -16.718 915 HH21 ARG 48 HH21 ARG 48 4.451 7.147 -13.773 916 HH22 ARG 48 HH22 ARG 48 4.792 5.610 -14.509 917 H GLN 49 HN GLN 49 3.586 13.664 -16.128 918 HA GLN 49 HA GLN 49 5.841 15.484 -15.756 919 HB2 GLN 49 HB2 GLN 49 4.309 16.490 -13.970 920 HB3 GLN 49 HB1 GLN 49 3.925 16.767 -15.658 921 HG2 GLN 49 HG2 GLN 49 2.274 14.955 -15.549 922 HG3 GLN 49 HG1 GLN 49 2.621 14.767 -13.828 923 HE21 GLN 49 HE21 GLN 49 3.008 17.633 -13.509 924 HE22 GLN 49 HE22 GLN 49 1.426 18.331 -13.509 925 H VAL 50 HN VAL 50 6.804 15.817 -13.778 926 HA VAL 50 HA VAL 50 6.563 13.769 -11.707 927 HB VAL 50 HB VAL 50 8.337 13.063 -13.364 928 HG11 VAL 50 HG11 VAL 50 10.442 14.274 -13.441 929 HG12 VAL 50 HG12 VAL 50 9.724 15.551 -12.455 930 HG13 VAL 50 HG13 VAL 50 9.087 15.219 -14.066 931 HG21 VAL 50 HG21 VAL 50 8.458 12.317 -11.046 932 HG22 VAL 50 HG22 VAL 50 9.362 13.771 -10.622 933 HG23 VAL 50 HG23 VAL 50 10.069 12.578 -11.713 934 H CYS 51 HN CYS 51 7.385 14.570 -9.654 935 HA CYS 51 HA CYS 51 7.722 17.507 -9.645 936 HB2 CYS 51 HB2 CYS 51 6.834 15.713 -7.405 937 HB3 CYS 51 HB1 CYS 51 6.982 17.460 -7.327 938 H ALA 52 HN ALA 52 9.116 18.460 -8.099 939 HA ALA 52 HA ALA 52 10.886 16.914 -6.507 940 HB1 ALA 52 HB1 ALA 52 12.977 17.532 -7.604 941 HB2 ALA 52 HB2 ALA 52 12.077 18.327 -8.898 942 HB3 ALA 52 HB3 ALA 52 11.962 16.578 -8.686 943 H ASN 53 HN ASN 53 12.417 18.315 -5.327 944 HA ASN 53 HA ASN 53 11.088 20.810 -4.686 945 HB2 ASN 53 HB2 ASN 53 12.754 18.908 -3.257 946 HB3 ASN 53 HB1 ASN 53 13.278 20.567 -2.993 947 HD21 ASN 53 HD21 ASN 53 10.629 18.312 -2.650 948 HD22 ASN 53 HD22 ASN 53 9.764 19.234 -1.469 949 HA PRO 54 HA PRO 54 13.844 23.370 -7.000 950 HB2 PRO 54 HB2 PRO 54 13.359 25.723 -5.747 951 HB3 PRO 54 HB1 PRO 54 12.163 24.956 -6.799 952 HG2 PRO 54 HG2 PRO 54 12.394 24.828 -3.812 953 HG3 PRO 54 HG1 PRO 54 10.967 25.189 -4.802 954 HD2 PRO 54 HD2 PRO 54 11.340 22.752 -3.799 955 HD3 PRO 54 HD1 PRO 54 10.694 22.978 -5.438 956 H GLU 55 HN GLU 55 14.346 22.536 -3.784 957 HA GLU 55 HA GLU 55 16.552 24.324 -3.329 958 HB2 GLU 55 HB2 GLU 55 15.611 21.926 -1.757 959 HB3 GLU 55 HB1 GLU 55 16.892 23.017 -1.250 960 HG2 GLU 55 HG2 GLU 55 15.254 24.872 -1.282 961 HG3 GLU 55 HG1 GLU 55 13.991 23.694 -1.642 962 H LYS 56 HN LYS 56 16.088 21.297 -4.817 963 HA LYS 56 HA LYS 56 18.704 20.244 -4.401 964 HB2 LYS 56 HB2 LYS 56 16.548 19.605 -6.413 965 HB3 LYS 56 HB1 LYS 56 18.069 18.730 -6.319 966 HG2 LYS 56 HG2 LYS 56 16.125 18.951 -4.032 967 HG3 LYS 56 HG1 LYS 56 16.135 17.622 -5.193 968 HD2 LYS 56 HD2 LYS 56 18.472 17.133 -4.565 969 HD3 LYS 56 HD1 LYS 56 18.396 18.417 -3.358 970 HE2 LYS 56 HE2 LYS 56 16.685 17.247 -2.143 971 HE3 LYS 56 HE1 LYS 56 16.559 16.029 -3.412 972 HZ1 LYS 56 HZ1 LYS 56 17.854 15.258 -1.512 973 HZ2 LYS 56 HZ2 LYS 56 18.970 16.508 -1.751 974 HZ3 LYS 56 HZ3 LYS 56 18.787 15.307 -2.922 975 H LYS 57 HN LYS 57 20.519 20.679 -5.463 976 HA LYS 57 HA LYS 57 20.709 22.907 -7.157 977 HB2 LYS 57 HB2 LYS 57 22.577 22.155 -5.769 978 HB3 LYS 57 HB1 LYS 57 22.701 20.678 -6.709 979 HG2 LYS 57 HG2 LYS 57 23.479 21.839 -8.618 980 HG3 LYS 57 HG1 LYS 57 23.051 23.404 -7.927 981 HD2 LYS 57 HD2 LYS 57 25.102 21.569 -6.697 982 HD3 LYS 57 HD1 LYS 57 25.510 22.808 -7.885 983 HE2 LYS 57 HE2 LYS 57 24.581 24.527 -6.409 984 HE3 LYS 57 HE1 LYS 57 24.164 23.292 -5.225 985 HZ1 LYS 57 HZ1 LYS 57 26.238 24.479 -4.719 986 HZ2 LYS 57 HZ2 LYS 57 26.930 23.869 -6.136 987 HZ3 LYS 57 HZ3 LYS 57 26.468 22.816 -4.895 988 H TRP 58 HN TRP 58 20.413 19.481 -7.836 989 HA TRP 58 HA TRP 58 21.056 19.575 -10.582 990 HB2 TRP 58 HB2 TRP 58 19.117 17.702 -9.197 991 HB3 TRP 58 HB1 TRP 58 19.910 17.425 -10.744 992 HD1 TRP 58 HD1 TRP 58 20.387 16.983 -7.051 993 HE1 TRP 58 HE1 TRP 58 22.680 15.917 -6.585 994 HE3 TRP 58 HE3 TRP 58 22.441 17.402 -11.716 995 HZ2 TRP 58 HZ2 TRP 58 25.043 15.322 -8.004 996 HZ3 TRP 58 HZ3 TRP 58 24.725 16.558 -12.075 997 HH2 TRP 58 HH2 TRP 58 25.996 15.542 -10.258 998 H VAL 59 HN VAL 59 18.123 20.101 -8.767 999 HA VAL 59 HA VAL 59 16.358 20.309 -10.971 1000 HB VAL 59 HB VAL 59 16.153 21.335 -8.126 1001 HG11 VAL 59 HG11 VAL 59 14.761 22.702 -9.624 1002 HG12 VAL 59 HG12 VAL 59 13.790 21.718 -8.529 1003 HG13 VAL 59 HG13 VAL 59 13.977 21.236 -10.212 1004 HG21 VAL 59 HG21 VAL 59 16.193 18.900 -8.371 1005 HG22 VAL 59 HG22 VAL 59 14.847 18.992 -9.507 1006 HG23 VAL 59 HG23 VAL 59 14.614 19.466 -7.824 1007 H GLN 60 HN GLN 60 18.269 22.585 -9.106 1008 HA GLN 60 HA GLN 60 17.302 24.945 -10.313 1009 HB2 GLN 60 HB2 GLN 60 19.956 24.349 -8.999 1010 HB3 GLN 60 HB1 GLN 60 19.417 25.958 -9.457 1011 HG2 GLN 60 HG2 GLN 60 17.899 24.190 -7.568 1012 HG3 GLN 60 HG1 GLN 60 19.122 25.340 -7.041 1013 HE21 GLN 60 HE21 GLN 60 15.954 24.940 -8.383 1014 HE22 GLN 60 HE22 GLN 60 15.420 26.566 -8.148 1015 H GLU 61 HN GLU 61 20.015 22.803 -11.017 1016 HA GLU 61 HA GLU 61 21.086 24.276 -13.145 1017 HB2 GLU 61 HB2 GLU 61 21.126 21.329 -12.520 1018 HB3 GLU 61 HB1 GLU 61 22.038 22.052 -13.839 1019 HG2 GLU 61 HG2 GLU 61 22.321 22.913 -10.984 1020 HG3 GLU 61 HG1 GLU 61 23.293 21.638 -11.709 1021 H TYR 62 HN TYR 62 18.719 21.671 -13.013 1022 HA TYR 62 HA TYR 62 18.366 21.540 -15.815 1023 HB2 TYR 62 HB2 TYR 62 16.888 20.457 -13.467 1024 HB3 TYR 62 HB1 TYR 62 16.080 20.463 -15.035 1025 HD1 TYR 62 HD1 TYR 62 19.610 19.805 -13.988 1026 HD2 TYR 62 HD2 TYR 62 16.136 18.355 -15.959 1027 HE1 TYR 62 HE1 TYR 62 20.847 17.797 -14.666 1028 HE2 TYR 62 HE2 TYR 62 17.361 16.340 -16.637 1029 HH TYR 62 HH TYR 62 20.377 15.486 -15.345 1030 H ILE 63 HN ILE 63 16.746 23.350 -13.303 1031 HA ILE 63 HA ILE 63 14.713 24.465 -14.905 1032 HB ILE 63 HB ILE 63 16.087 25.404 -12.392 1033 HG12 ILE 63 HG12 ILE 63 13.240 24.547 -12.948 1034 HG13 ILE 63 HG11 ILE 63 14.492 23.533 -12.240 1035 HG21 ILE 63 HG21 ILE 63 14.476 27.244 -12.215 1036 HG22 ILE 63 HG22 ILE 63 13.887 26.873 -13.837 1037 HG23 ILE 63 HG23 ILE 63 15.548 27.424 -13.606 1038 HD11 ILE 63 HD11 ILE 63 14.623 25.077 -10.332 1039 HD12 ILE 63 HD12 ILE 63 13.026 24.361 -10.525 1040 HD13 ILE 63 HD13 ILE 63 13.311 26.025 -11.034 1041 H ASN 64 HN ASN 64 17.944 25.601 -14.089 1042 HA ASN 64 HA ASN 64 17.810 27.980 -15.586 1043 HB2 ASN 64 HB2 ASN 64 19.618 28.347 -14.327 1044 HB3 ASN 64 HB1 ASN 64 19.697 26.648 -13.892 1045 HD21 ASN 64 HD21 ASN 64 21.025 25.286 -15.057 1046 HD22 ASN 64 HD22 ASN 64 22.323 25.888 -16.030 1047 H TYR 65 HN TYR 65 18.794 24.714 -16.404 1048 HA TYR 65 HA TYR 65 19.866 25.466 -18.952 1049 HB2 TYR 65 HB2 TYR 65 19.303 22.831 -17.646 1050 HB3 TYR 65 HB1 TYR 65 19.645 22.898 -19.370 1051 HD1 TYR 65 HD1 TYR 65 21.093 22.422 -16.247 1052 HD2 TYR 65 HD2 TYR 65 21.808 24.412 -19.934 1053 HE1 TYR 65 HE1 TYR 65 23.496 22.450 -15.757 1054 HE2 TYR 65 HE2 TYR 65 24.219 24.445 -19.456 1055 HH TYR 65 HH TYR 65 25.601 22.627 -16.893 1056 H LEU 66 HN LEU 66 16.754 24.275 -17.812 1057 HA LEU 66 HA LEU 66 15.753 23.951 -20.480 1058 HB2 LEU 66 HB2 LEU 66 14.343 23.977 -17.816 1059 HB3 LEU 66 HB1 LEU 66 13.524 23.706 -19.340 1060 HG LEU 66 HG LEU 66 15.684 21.966 -18.165 1061 HD11 LEU 66 HD11 LEU 66 13.598 21.851 -16.916 1062 HD12 LEU 66 HD12 LEU 66 13.880 20.361 -17.814 1063 HD13 LEU 66 HD13 LEU 66 12.710 21.539 -18.408 1064 HD21 LEU 66 HD21 LEU 66 15.706 21.945 -20.608 1065 HD22 LEU 66 HD22 LEU 66 13.976 21.602 -20.628 1066 HD23 LEU 66 HD23 LEU 66 15.103 20.417 -19.970 1067 H GLU 67 HN GLU 67 15.677 26.533 -18.085 1068 HA GLU 67 HA GLU 67 13.719 28.107 -19.399 1069 HB2 GLU 67 HB2 GLU 67 14.372 29.908 -17.952 1070 HB3 GLU 67 HB1 GLU 67 14.464 28.420 -17.017 1071 HG2 GLU 67 HG2 GLU 67 16.826 28.382 -17.155 1072 HG3 GLU 67 HG1 GLU 67 16.840 29.693 -18.327 1073 H MET 68 HN MET 68 17.168 27.746 -19.805 1074 HA MET 68 HA MET 68 17.297 29.945 -21.706 1075 HB2 MET 68 HB2 MET 68 19.669 29.468 -21.857 1076 HB3 MET 68 HB1 MET 68 19.201 29.534 -20.165 1077 HG2 MET 68 HG2 MET 68 19.201 27.109 -20.049 1078 HG3 MET 68 HG1 MET 68 19.593 27.015 -21.765 1079 HE1 MET 68 HE1 MET 68 21.723 29.476 -21.971 1080 HE2 MET 68 HE2 MET 68 21.901 27.922 -22.786 1081 HE3 MET 68 HE3 MET 68 23.220 28.560 -21.804 1082 H SER 69 HN SER 69 16.709 26.612 -21.648 1083 HA SER 69 HA SER 69 16.388 25.007 -23.184 1084 HB2 SER 69 HB2 SER 69 15.858 27.360 -24.991 1085 HB3 SER 69 HB1 SER 69 15.295 25.705 -25.237 1086 HG SER 69 HG SER 69 14.513 26.356 -22.824 Start of MODEL 10 1 H1 MET 1 HT1 MET 1 4.089 -1.557 -10.582 2 HA MET 1 HA MET 1 5.317 -2.444 -12.418 3 HB2 MET 1 HB2 MET 1 3.433 -2.884 -13.918 4 HB3 MET 1 HB1 MET 1 3.134 -1.160 -14.080 5 HG2 MET 1 HG2 MET 1 5.343 -0.902 -15.138 6 HG3 MET 1 HG1 MET 1 5.575 -2.644 -15.029 7 HE1 MET 1 HE1 MET 1 2.823 -4.010 -17.445 8 HE2 MET 1 HE2 MET 1 2.689 -3.788 -15.703 9 HE3 MET 1 HE3 MET 1 4.180 -4.422 -16.398 10 H SER 2 HN SER 2 3.580 0.653 -12.450 11 HA SER 2 HA SER 2 6.191 1.989 -12.649 12 HB2 SER 2 HB2 SER 2 3.525 3.008 -13.647 13 HB3 SER 2 HB1 SER 2 5.087 3.809 -13.825 14 HG SER 2 HG SER 2 4.102 2.322 -15.581 15 HA PRO 3 HA PRO 3 4.597 3.528 -8.712 16 HB2 PRO 3 HB2 PRO 3 6.926 3.632 -7.423 17 HB3 PRO 3 HB1 PRO 3 6.126 2.086 -7.730 18 HG2 PRO 3 HG2 PRO 3 8.470 3.311 -9.108 19 HG3 PRO 3 HG1 PRO 3 8.142 1.609 -8.746 20 HD2 PRO 3 HD2 PRO 3 7.710 2.895 -11.208 21 HD3 PRO 3 HD1 PRO 3 7.073 1.310 -10.729 22 H TYR 4 HN TYR 4 4.965 5.518 -7.525 23 HA TYR 4 HA TYR 4 5.996 7.651 -9.238 24 HB2 TYR 4 HB2 TYR 4 4.657 9.158 -7.995 25 HB3 TYR 4 HB1 TYR 4 3.663 7.718 -8.151 26 HD1 TYR 4 HD1 TYR 4 5.144 10.058 -5.888 27 HD2 TYR 4 HD2 TYR 4 3.580 6.113 -6.146 28 HE1 TYR 4 HE1 TYR 4 4.870 10.016 -3.448 29 HE2 TYR 4 HE2 TYR 4 3.300 6.058 -3.702 30 HH TYR 4 HH TYR 4 4.233 7.163 -1.723 31 H GLY 5 HN GLY 5 7.083 9.502 -7.954 32 HA2 GLY 5 HA2 GLY 5 8.709 8.442 -5.738 33 HA3 GLY 5 HA1 GLY 5 9.531 9.115 -7.142 34 H SER 6 HN SER 6 7.847 11.191 -7.713 35 HA SER 6 HA SER 6 7.192 12.890 -5.607 36 HB2 SER 6 HB2 SER 6 9.620 12.962 -5.173 37 HB3 SER 6 HB1 SER 6 9.923 13.404 -6.852 38 HG SER 6 HG SER 6 9.162 15.392 -6.491 39 H ASP 7 HN ASP 7 5.485 12.934 -7.119 40 HA ASP 7 HA ASP 7 6.024 14.674 -9.384 41 HB2 ASP 7 HB2 ASP 7 4.302 13.148 -10.659 42 HB3 ASP 7 HB1 ASP 7 6.008 12.735 -10.607 43 H THR 8 HN THR 8 3.733 15.032 -10.540 44 HA THR 8 HA THR 8 2.518 16.931 -8.912 45 HB THR 8 HB THR 8 0.850 15.991 -11.127 46 HG1 THR 8 HG1 THR 8 3.600 16.709 -11.507 47 HG21 THR 8 HG21 THR 8 2.327 18.550 -10.529 48 HG22 THR 8 HG22 THR 8 0.625 18.214 -10.183 49 HG23 THR 8 HG23 THR 8 1.193 18.316 -11.855 50 H THR 9 HN THR 9 1.005 16.811 -7.407 51 HA THR 9 HA THR 9 -0.640 14.377 -7.265 52 HB THR 9 HB THR 9 0.334 16.058 -4.948 53 HG1 THR 9 HG1 THR 9 1.878 14.622 -6.327 54 HG21 THR 9 HG21 THR 9 -0.961 13.332 -5.064 55 HG22 THR 9 HG22 THR 9 -1.721 14.819 -4.495 56 HG23 THR 9 HG23 THR 9 -0.369 14.121 -3.606 57 HA PRO 10 HA PRO 10 -4.110 17.236 -7.388 58 HB2 PRO 10 HB2 PRO 10 -6.037 15.499 -6.580 59 HB3 PRO 10 HB1 PRO 10 -5.369 15.492 -8.221 60 HG2 PRO 10 HG2 PRO 10 -4.708 13.731 -5.892 61 HG3 PRO 10 HG1 PRO 10 -4.924 13.296 -7.596 62 HD2 PRO 10 HD2 PRO 10 -2.486 13.584 -6.467 63 HD3 PRO 10 HD1 PRO 10 -2.799 13.970 -8.171 64 H CYS 11 HN CYS 11 -4.370 18.725 -5.860 65 HA CYS 11 HA CYS 11 -5.177 17.891 -3.174 66 HB2 CYS 11 HB2 CYS 11 -2.690 18.365 -3.200 67 HB3 CYS 11 HB1 CYS 11 -3.073 20.019 -3.659 68 H CYS 12 HN CYS 12 -6.106 19.815 -1.964 69 HA CYS 12 HA CYS 12 -6.848 22.130 -3.415 70 HB2 CYS 12 HB2 CYS 12 -9.290 21.637 -3.553 71 HB3 CYS 12 HB1 CYS 12 -8.300 20.668 -4.639 72 H PHE 13 HN PHE 13 -8.192 23.554 -2.230 73 HA PHE 13 HA PHE 13 -9.088 22.928 0.420 74 HB2 PHE 13 HB2 PHE 13 -6.681 23.257 0.855 75 HB3 PHE 13 HB1 PHE 13 -6.741 24.829 0.066 76 HD1 PHE 13 HD1 PHE 13 -8.154 22.917 2.923 77 HD2 PHE 13 HD2 PHE 13 -7.179 26.738 1.325 78 HE1 PHE 13 HE1 PHE 13 -8.681 23.956 5.087 79 HE2 PHE 13 HE2 PHE 13 -7.706 27.780 3.485 80 HZ PHE 13 HZ PHE 13 -8.458 26.391 5.369 81 H ALA 14 HN ALA 14 -10.968 23.579 -0.798 82 HA ALA 14 HA ALA 14 -11.577 26.340 -0.411 83 HB1 ALA 14 HB1 ALA 14 -10.464 26.446 -2.612 84 HB2 ALA 14 HB2 ALA 14 -12.179 26.839 -2.721 85 HB3 ALA 14 HB3 ALA 14 -11.604 25.252 -3.233 86 H TYR 15 HN TYR 15 -13.798 26.633 -0.319 87 HA TYR 15 HA TYR 15 -15.311 24.131 -0.527 88 HB2 TYR 15 HB2 TYR 15 -16.774 24.964 1.246 89 HB3 TYR 15 HB1 TYR 15 -15.102 24.929 1.791 90 HD1 TYR 15 HD1 TYR 15 -17.890 27.107 0.771 91 HD2 TYR 15 HD2 TYR 15 -13.954 26.959 2.382 92 HE1 TYR 15 HE1 TYR 15 -18.078 29.464 1.434 93 HE2 TYR 15 HE2 TYR 15 -14.132 29.320 3.046 94 HH TYR 15 HH TYR 15 -15.395 31.307 2.420 95 H LEU 16 HN LEU 16 -17.395 24.197 -1.329 96 HA LEU 16 HA LEU 16 -18.138 26.678 -2.703 97 HB2 LEU 16 HB2 LEU 16 -17.466 24.200 -3.868 98 HB3 LEU 16 HB1 LEU 16 -19.208 24.334 -3.976 99 HG LEU 16 HG LEU 16 -17.333 26.472 -4.972 100 HD11 LEU 16 HD11 LEU 16 -17.678 25.586 -7.207 101 HD12 LEU 16 HD12 LEU 16 -18.690 24.293 -6.561 102 HD13 LEU 16 HD13 LEU 16 -16.969 24.341 -6.177 103 HD21 LEU 16 HD21 LEU 16 -19.289 27.235 -6.207 104 HD22 LEU 16 HD22 LEU 16 -19.608 27.199 -4.474 105 HD23 LEU 16 HD23 LEU 16 -20.248 25.928 -5.513 106 H SER 17 HN SER 17 -20.210 27.300 -2.416 107 HA SER 17 HA SER 17 -21.746 25.710 -0.528 108 HB2 SER 17 HB2 SER 17 -21.343 28.293 -0.420 109 HB3 SER 17 HB1 SER 17 -22.664 28.361 -1.588 110 HG SER 17 HG SER 17 -23.942 28.143 0.049 111 H LEU 18 HN LEU 18 -21.689 26.598 -3.851 112 HA LEU 18 HA LEU 18 -24.385 25.650 -4.304 113 HB2 LEU 18 HB2 LEU 18 -22.296 26.901 -6.037 114 HB3 LEU 18 HB1 LEU 18 -23.590 25.988 -6.784 115 HG LEU 18 HG LEU 18 -25.237 27.500 -5.708 116 HD11 LEU 18 HD11 LEU 18 -24.483 29.609 -4.747 117 HD12 LEU 18 HD12 LEU 18 -22.809 29.068 -4.868 118 HD13 LEU 18 HD13 LEU 18 -23.930 28.230 -3.797 119 HD21 LEU 18 HD21 LEU 18 -24.799 29.416 -7.162 120 HD22 LEU 18 HD22 LEU 18 -24.515 27.884 -7.989 121 HD23 LEU 18 HD23 LEU 18 -23.152 28.841 -7.414 122 H ALA 19 HN ALA 19 -23.690 23.596 -3.311 123 HA ALA 19 HA ALA 19 -22.058 21.813 -4.828 124 HB1 ALA 19 HB1 ALA 19 -22.328 21.591 -2.389 125 HB2 ALA 19 HB2 ALA 19 -22.800 20.117 -3.236 126 HB3 ALA 19 HB3 ALA 19 -24.035 21.216 -2.622 127 H LEU 20 HN LEU 20 -22.677 21.128 -6.750 128 HA LEU 20 HA LEU 20 -25.228 21.229 -7.811 129 HB2 LEU 20 HB2 LEU 20 -24.309 19.568 -9.525 130 HB3 LEU 20 HB1 LEU 20 -23.509 21.116 -9.373 131 HG LEU 20 HG LEU 20 -21.839 19.866 -7.840 132 HD11 LEU 20 HD11 LEU 20 -21.553 17.497 -8.348 133 HD12 LEU 20 HD12 LEU 20 -23.035 17.522 -9.305 134 HD13 LEU 20 HD13 LEU 20 -23.102 17.813 -7.567 135 HD21 LEU 20 HD21 LEU 20 -21.268 20.759 -10.020 136 HD22 LEU 20 HD22 LEU 20 -21.943 19.330 -10.803 137 HD23 LEU 20 HD23 LEU 20 -20.513 19.183 -9.783 138 HA PRO 21 HA PRO 21 -27.781 18.103 -6.169 139 HB2 PRO 21 HB2 PRO 21 -28.706 17.038 -8.617 140 HB3 PRO 21 HB1 PRO 21 -29.464 18.312 -7.661 141 HG2 PRO 21 HG2 PRO 21 -27.675 18.530 -10.028 142 HG3 PRO 21 HG1 PRO 21 -29.024 19.570 -9.534 143 HD2 PRO 21 HD2 PRO 21 -26.495 20.357 -9.230 144 HD3 PRO 21 HD1 PRO 21 -27.721 20.731 -7.998 145 H ARG 22 HN ARG 22 -27.960 15.914 -5.797 146 HA ARG 22 HA ARG 22 -25.633 14.386 -5.980 147 HB2 ARG 22 HB2 ARG 22 -28.479 13.557 -5.420 148 HB3 ARG 22 HB1 ARG 22 -27.107 12.470 -5.272 149 HG2 ARG 22 HG2 ARG 22 -26.160 13.833 -3.518 150 HG3 ARG 22 HG1 ARG 22 -27.430 15.036 -3.728 151 HD2 ARG 22 HD2 ARG 22 -27.934 12.168 -2.963 152 HD3 ARG 22 HD1 ARG 22 -27.764 13.481 -1.801 153 HE ARG 22 HE ARG 22 -29.715 14.388 -3.429 154 HH11 ARG 22 HH11 ARG 22 -29.297 11.292 -1.812 155 HH12 ARG 22 HH12 ARG 22 -30.981 11.051 -1.539 156 HH21 ARG 22 HH21 ARG 22 -31.965 14.067 -3.073 157 HH22 ARG 22 HH22 ARG 22 -32.516 12.640 -2.264 158 H ALA 23 HN ALA 23 -28.365 14.602 -8.118 159 HA ALA 23 HA ALA 23 -27.838 12.246 -9.615 160 HB1 ALA 23 HB1 ALA 23 -29.370 14.727 -10.380 161 HB2 ALA 23 HB2 ALA 23 -30.037 13.286 -9.613 162 HB3 ALA 23 HB3 ALA 23 -29.398 13.197 -11.254 163 H HIS 24 HN HIS 24 -26.423 15.376 -9.575 164 HA HIS 24 HA HIS 24 -25.313 15.106 -12.244 165 HB2 HIS 24 HB2 HIS 24 -25.295 17.284 -10.177 166 HB3 HIS 24 HB1 HIS 24 -24.170 17.317 -11.523 167 HD1 HIS 24 HD1 HIS 24 -25.130 19.231 -12.861 168 HD2 HIS 24 HD2 HIS 24 -27.994 16.395 -11.844 169 HE1 HIS 24 HE1 HIS 24 -27.210 19.908 -14.088 170 H VAL 25 HN VAL 25 -24.471 14.569 -8.945 171 HA VAL 25 HA VAL 25 -21.642 14.357 -9.569 172 HB VAL 25 HB VAL 25 -22.577 15.317 -7.355 173 HG11 VAL 25 HG11 VAL 25 -22.720 12.405 -6.606 174 HG12 VAL 25 HG12 VAL 25 -24.121 13.429 -6.911 175 HG13 VAL 25 HG13 VAL 25 -23.038 13.792 -5.566 176 HG21 VAL 25 HG21 VAL 25 -20.215 14.902 -7.727 177 HG22 VAL 25 HG22 VAL 25 -20.422 13.211 -7.271 178 HG23 VAL 25 HG23 VAL 25 -20.667 14.484 -6.075 179 H LYS 26 HN LYS 26 -20.476 12.353 -9.059 180 HA LYS 26 HA LYS 26 -22.178 10.011 -9.579 181 HB2 LYS 26 HB2 LYS 26 -20.646 10.709 -11.438 182 HB3 LYS 26 HB1 LYS 26 -19.289 10.389 -10.372 183 HG2 LYS 26 HG2 LYS 26 -19.732 8.070 -10.344 184 HG3 LYS 26 HG1 LYS 26 -21.317 8.293 -11.089 185 HD2 LYS 26 HD2 LYS 26 -19.839 7.497 -12.788 186 HD3 LYS 26 HD1 LYS 26 -20.142 9.201 -13.110 187 HE2 LYS 26 HE2 LYS 26 -17.817 8.834 -13.436 188 HE3 LYS 26 HE1 LYS 26 -17.992 9.711 -11.920 189 HZ1 LYS 26 HZ1 LYS 26 -17.674 6.762 -12.098 190 HZ2 LYS 26 HZ2 LYS 26 -17.613 7.699 -10.687 191 HZ3 LYS 26 HZ3 LYS 26 -16.395 7.831 -11.841 192 H GLU 27 HN GLU 27 -19.301 11.209 -7.916 193 HA GLU 27 HA GLU 27 -19.765 9.514 -5.667 194 HB2 GLU 27 HB2 GLU 27 -17.727 8.193 -5.805 195 HB3 GLU 27 HB1 GLU 27 -18.714 7.907 -7.234 196 HG2 GLU 27 HG2 GLU 27 -17.300 9.561 -8.439 197 HG3 GLU 27 HG1 GLU 27 -16.241 9.595 -7.028 198 H TYR 28 HN TYR 28 -17.745 9.709 -4.152 199 HA TYR 28 HA TYR 28 -16.488 12.327 -4.494 200 HB2 TYR 28 HB2 TYR 28 -16.858 12.924 -2.195 201 HB3 TYR 28 HB1 TYR 28 -18.411 12.463 -2.875 202 HD1 TYR 28 HD1 TYR 28 -15.972 11.837 -0.313 203 HD2 TYR 28 HD2 TYR 28 -19.350 10.171 -2.298 204 HE1 TYR 28 HE1 TYR 28 -16.279 10.255 1.545 205 HE2 TYR 28 HE2 TYR 28 -19.666 8.585 -0.438 206 HH TYR 28 HH TYR 28 -18.047 8.914 2.536 207 H PHE 29 HN PHE 29 -14.428 12.531 -3.512 208 HA PHE 29 HA PHE 29 -13.206 10.069 -2.532 209 HB2 PHE 29 HB2 PHE 29 -12.934 10.077 -5.003 210 HB3 PHE 29 HB1 PHE 29 -12.122 11.631 -4.888 211 HD1 PHE 29 HD1 PHE 29 -11.857 8.249 -3.320 212 HD2 PHE 29 HD2 PHE 29 -9.842 11.571 -5.055 213 HE1 PHE 29 HE1 PHE 29 -9.712 7.081 -3.054 214 HE2 PHE 29 HE2 PHE 29 -7.689 10.408 -4.790 215 HZ PHE 29 HZ PHE 29 -7.623 8.160 -3.789 216 H TYR 30 HN TYR 30 -11.692 10.453 -1.013 217 HA TYR 30 HA TYR 30 -11.418 13.118 -0.019 218 HB2 TYR 30 HB2 TYR 30 -9.972 10.584 0.787 219 HB3 TYR 30 HB1 TYR 30 -9.947 12.099 1.683 220 HD1 TYR 30 HD1 TYR 30 -11.871 9.109 0.888 221 HD2 TYR 30 HD2 TYR 30 -11.969 12.876 2.857 222 HE1 TYR 30 HE1 TYR 30 -13.888 8.411 2.108 223 HE2 TYR 30 HE2 TYR 30 -13.985 12.189 4.086 224 HH TYR 30 HH TYR 30 -15.052 8.990 4.220 225 H THR 31 HN THR 31 -9.445 14.310 0.235 226 HA THR 31 HA THR 31 -7.874 14.460 -2.079 227 HB THR 31 HB THR 31 -6.356 15.884 -0.506 228 HG1 THR 31 HG1 THR 31 -6.944 15.855 1.509 229 HG21 THR 31 HG21 THR 31 -9.226 16.660 -0.995 230 HG22 THR 31 HG22 THR 31 -7.923 16.767 -2.177 231 HG23 THR 31 HG23 THR 31 -7.874 17.761 -0.721 232 H SER 32 HN SER 32 -5.543 14.233 -2.253 233 HA SER 32 HA SER 32 -4.674 11.667 -1.518 234 HB2 SER 32 HB2 SER 32 -3.826 12.836 -3.501 235 HB3 SER 32 HB1 SER 32 -3.055 14.040 -2.469 236 HG SER 32 HG SER 32 -2.073 11.720 -3.279 237 H SER 33 HN SER 33 -2.915 11.064 -0.152 238 HA SER 33 HA SER 33 -3.001 12.305 2.406 239 HB2 SER 33 HB2 SER 33 -1.143 10.147 1.383 240 HB3 SER 33 HB1 SER 33 -1.429 10.558 3.074 241 HG SER 33 HG SER 33 -3.546 9.876 2.866 242 H LYS 34 HN LYS 34 -1.405 13.195 -0.330 243 HA LYS 34 HA LYS 34 1.046 14.083 0.946 244 HB2 LYS 34 HB2 LYS 34 0.016 14.721 -1.819 245 HB3 LYS 34 HB1 LYS 34 1.654 14.952 -1.231 246 HG2 LYS 34 HG2 LYS 34 0.278 12.298 -1.613 247 HG3 LYS 34 HG1 LYS 34 1.493 13.001 -2.680 248 HD2 LYS 34 HD2 LYS 34 3.133 12.928 -0.865 249 HD3 LYS 34 HD1 LYS 34 1.913 12.248 0.215 250 HE2 LYS 34 HE2 LYS 34 1.708 10.298 -1.249 251 HE3 LYS 34 HE1 LYS 34 2.927 10.978 -2.324 252 HZ1 LYS 34 HZ1 LYS 34 3.871 9.329 -0.850 253 HZ2 LYS 34 HZ2 LYS 34 3.355 10.193 0.507 254 HZ3 LYS 34 HZ3 LYS 34 4.528 10.852 -0.516 255 H CYS 35 HN CYS 35 -2.121 15.159 0.581 256 HA CYS 35 HA CYS 35 -1.574 17.977 0.523 257 HB2 CYS 35 HB2 CYS 35 -4.139 16.517 1.193 258 HB3 CYS 35 HB1 CYS 35 -3.986 18.228 0.812 259 H SER 36 HN SER 36 -1.697 19.402 2.231 260 HA SER 36 HA SER 36 -1.109 18.277 4.815 261 HB2 SER 36 HB2 SER 36 0.056 20.294 3.854 262 HB3 SER 36 HB1 SER 36 -1.442 21.192 4.080 263 HG SER 36 HG SER 36 -0.655 21.562 5.986 264 H ASN 37 HN ASN 37 -3.924 19.143 3.202 265 HA ASN 37 HA ASN 37 -5.396 19.282 5.741 266 HB2 ASN 37 HB2 ASN 37 -6.981 20.855 4.771 267 HB3 ASN 37 HB1 ASN 37 -5.357 21.522 4.661 268 HD21 ASN 37 HD21 ASN 37 -8.066 20.248 2.894 269 HD22 ASN 37 HD22 ASN 37 -7.506 20.701 1.317 270 H LEU 38 HN LEU 38 -7.707 18.663 5.467 271 HA LEU 38 HA LEU 38 -7.892 16.428 3.585 272 HB2 LEU 38 HB2 LEU 38 -8.128 16.060 6.101 273 HB3 LEU 38 HB1 LEU 38 -9.629 16.950 6.004 274 HG LEU 38 HG LEU 38 -9.903 14.469 6.083 275 HD11 LEU 38 HD11 LEU 38 -10.956 15.806 3.609 276 HD12 LEU 38 HD12 LEU 38 -11.696 15.791 5.210 277 HD13 LEU 38 HD13 LEU 38 -11.554 14.295 4.293 278 HD21 LEU 38 HD21 LEU 38 -8.684 14.553 3.326 279 HD22 LEU 38 HD22 LEU 38 -9.420 13.147 4.091 280 HD23 LEU 38 HD23 LEU 38 -7.947 13.846 4.765 281 H ALA 39 HN ALA 39 -9.193 16.630 1.913 282 HA ALA 39 HA ALA 39 -11.607 18.242 2.123 283 HB1 ALA 39 HB1 ALA 39 -11.163 19.340 -0.036 284 HB2 ALA 39 HB2 ALA 39 -9.567 18.590 -0.079 285 HB3 ALA 39 HB3 ALA 39 -9.951 19.772 1.171 286 H VAL 40 HN VAL 40 -12.961 17.836 0.056 287 HA VAL 40 HA VAL 40 -12.434 15.100 -0.836 288 HB VAL 40 HB VAL 40 -14.881 14.706 -0.983 289 HG11 VAL 40 HG11 VAL 40 -13.606 13.810 0.848 290 HG12 VAL 40 HG12 VAL 40 -15.199 14.318 1.413 291 HG13 VAL 40 HG13 VAL 40 -13.783 15.321 1.743 292 HG21 VAL 40 HG21 VAL 40 -16.388 16.115 0.298 293 HG22 VAL 40 HG22 VAL 40 -15.632 17.014 -1.019 294 HG23 VAL 40 HG23 VAL 40 -15.068 17.236 0.640 295 H VAL 41 HN VAL 41 -12.810 14.588 -2.836 296 HA VAL 41 HA VAL 41 -13.290 16.777 -4.713 297 HB VAL 41 HB VAL 41 -11.886 14.132 -5.175 298 HG11 VAL 41 HG11 VAL 41 -11.148 15.133 -7.278 299 HG12 VAL 41 HG12 VAL 41 -12.092 16.579 -6.918 300 HG13 VAL 41 HG13 VAL 41 -12.907 15.037 -7.182 301 HG21 VAL 41 HG21 VAL 41 -9.804 15.433 -5.232 302 HG22 VAL 41 HG22 VAL 41 -10.589 15.524 -3.654 303 HG23 VAL 41 HG23 VAL 41 -10.703 16.880 -4.776 304 H PHE 42 HN PHE 42 -15.216 16.707 -5.623 305 HA PHE 42 HA PHE 42 -16.693 14.196 -5.647 306 HB2 PHE 42 HB2 PHE 42 -17.538 17.042 -6.159 307 HB3 PHE 42 HB1 PHE 42 -18.607 15.665 -6.392 308 HD1 PHE 42 HD1 PHE 42 -16.992 17.849 -4.003 309 HD2 PHE 42 HD2 PHE 42 -19.332 14.329 -4.462 310 HE1 PHE 42 HE1 PHE 42 -17.575 17.931 -1.623 311 HE2 PHE 42 HE2 PHE 42 -19.931 14.407 -2.080 312 HZ PHE 42 HZ PHE 42 -19.058 16.210 -0.655 313 H VAL 43 HN VAL 43 -16.829 13.008 -7.358 314 HA VAL 43 HA VAL 43 -15.895 14.072 -9.910 315 HB VAL 43 HB VAL 43 -16.573 11.223 -9.135 316 HG11 VAL 43 HG11 VAL 43 -16.765 11.643 -11.529 317 HG12 VAL 43 HG12 VAL 43 -15.398 10.589 -11.168 318 HG13 VAL 43 HG13 VAL 43 -15.124 12.292 -11.551 319 HG21 VAL 43 HG21 VAL 43 -13.881 12.574 -9.328 320 HG22 VAL 43 HG22 VAL 43 -14.144 10.852 -9.052 321 HG23 VAL 43 HG23 VAL 43 -14.672 12.029 -7.849 322 H THR 44 HN THR 44 -17.392 14.856 -11.215 323 HA THR 44 HA THR 44 -20.174 14.356 -10.739 324 HB THR 44 HB THR 44 -20.548 15.885 -12.652 325 HG1 THR 44 HG1 THR 44 -17.755 16.297 -12.719 326 HG21 THR 44 HG21 THR 44 -20.232 16.804 -10.398 327 HG22 THR 44 HG22 THR 44 -19.560 17.878 -11.627 328 HG23 THR 44 HG23 THR 44 -18.489 16.857 -10.670 329 H ARG 45 HN ARG 45 -21.627 13.919 -12.665 330 HA ARG 45 HA ARG 45 -20.992 11.390 -13.808 331 HB2 ARG 45 HB2 ARG 45 -23.189 13.345 -14.533 332 HB3 ARG 45 HB1 ARG 45 -23.115 11.670 -15.054 333 HG2 ARG 45 HG2 ARG 45 -23.252 12.491 -12.167 334 HG3 ARG 45 HG1 ARG 45 -24.675 12.163 -13.155 335 HD2 ARG 45 HD2 ARG 45 -23.881 9.899 -13.563 336 HD3 ARG 45 HD1 ARG 45 -22.429 10.224 -12.616 337 HE ARG 45 HE ARG 45 -24.126 10.686 -10.746 338 HH11 ARG 45 HH11 ARG 45 -24.541 8.255 -13.265 339 HH12 ARG 45 HH12 ARG 45 -25.531 7.236 -12.285 340 HH21 ARG 45 HH21 ARG 45 -25.442 9.327 -9.460 341 HH22 ARG 45 HH22 ARG 45 -26.049 7.849 -10.117 342 H ARG 46 HN ARG 46 -20.202 14.531 -14.632 343 HA ARG 46 HA ARG 46 -19.913 14.045 -17.491 344 HB2 ARG 46 HB2 ARG 46 -19.457 16.478 -15.755 345 HB3 ARG 46 HB1 ARG 46 -18.978 16.428 -17.441 346 HG2 ARG 46 HG2 ARG 46 -21.085 17.577 -17.224 347 HG3 ARG 46 HG1 ARG 46 -21.333 16.055 -18.074 348 HD2 ARG 46 HD2 ARG 46 -22.262 15.037 -16.129 349 HD3 ARG 46 HD1 ARG 46 -21.799 16.406 -15.123 350 HE ARG 46 HE ARG 46 -23.396 17.701 -16.604 351 HH11 ARG 46 HH11 ARG 46 -23.845 14.283 -15.988 352 HH12 ARG 46 HH12 ARG 46 -25.567 14.375 -15.984 353 HH21 ARG 46 HH21 ARG 46 -25.672 17.822 -16.650 354 HH22 ARG 46 HH22 ARG 46 -26.614 16.393 -16.406 355 H ASN 47 HN ASN 47 -18.308 13.161 -14.868 356 HA ASN 47 HA ASN 47 -16.242 12.415 -14.403 357 HB2 ASN 47 HB2 ASN 47 -15.886 12.793 -17.373 358 HB3 ASN 47 HB1 ASN 47 -14.605 12.161 -16.344 359 HD21 ASN 47 HD21 ASN 47 -17.734 11.553 -17.725 360 HD22 ASN 47 HD22 ASN 47 -17.794 9.866 -17.356 361 H ARG 48 HN ARG 48 -16.976 15.264 -14.340 362 HA ARG 48 HA ARG 48 -14.302 16.492 -14.444 363 HB2 ARG 48 HB2 ARG 48 -16.104 17.769 -15.545 364 HB3 ARG 48 HB1 ARG 48 -17.037 17.751 -14.055 365 HG2 ARG 48 HG2 ARG 48 -15.082 18.980 -12.993 366 HG3 ARG 48 HG1 ARG 48 -14.483 19.222 -14.634 367 HD2 ARG 48 HD2 ARG 48 -17.191 20.083 -13.618 368 HD3 ARG 48 HD1 ARG 48 -15.793 21.140 -13.792 369 HE ARG 48 HE ARG 48 -16.107 20.083 -16.271 370 HH11 ARG 48 HH11 ARG 48 -18.270 21.767 -14.079 371 HH12 ARG 48 HH12 ARG 48 -19.203 22.484 -15.344 372 HH21 ARG 48 HH21 ARG 48 -17.338 21.040 -17.945 373 HH22 ARG 48 HH22 ARG 48 -18.676 22.066 -17.557 374 H GLN 49 HN GLN 49 -13.263 16.999 -12.558 375 HA GLN 49 HA GLN 49 -14.607 16.120 -10.116 376 HB2 GLN 49 HB2 GLN 49 -11.742 16.977 -10.123 377 HB3 GLN 49 HB1 GLN 49 -12.559 15.762 -9.162 378 HG2 GLN 49 HG2 GLN 49 -12.683 14.299 -11.124 379 HG3 GLN 49 HG1 GLN 49 -11.792 15.507 -12.054 380 HE21 GLN 49 HE21 GLN 49 -10.308 16.190 -9.530 381 HE22 GLN 49 HE22 GLN 49 -9.092 14.955 -9.416 382 H VAL 50 HN VAL 50 -14.567 17.362 -8.238 383 HA VAL 50 HA VAL 50 -13.859 20.181 -8.437 384 HB VAL 50 HB VAL 50 -16.279 19.945 -9.084 385 HG11 VAL 50 HG11 VAL 50 -17.914 19.324 -7.417 386 HG12 VAL 50 HG12 VAL 50 -16.610 18.955 -6.281 387 HG13 VAL 50 HG13 VAL 50 -16.785 18.007 -7.759 388 HG21 VAL 50 HG21 VAL 50 -15.486 22.019 -8.103 389 HG22 VAL 50 HG22 VAL 50 -15.752 21.373 -6.485 390 HG23 VAL 50 HG23 VAL 50 -17.127 21.671 -7.551 391 H CYS 51 HN CYS 51 -13.616 21.129 -6.266 392 HA CYS 51 HA CYS 51 -13.299 19.030 -4.231 393 HB2 CYS 51 HB2 CYS 51 -11.549 21.405 -4.787 394 HB3 CYS 51 HB1 CYS 51 -11.403 20.381 -3.363 395 H ALA 52 HN ALA 52 -13.763 19.490 -2.129 396 HA ALA 52 HA ALA 52 -14.578 22.150 -1.355 397 HB1 ALA 52 HB1 ALA 52 -16.794 21.473 -0.597 398 HB2 ALA 52 HB2 ALA 52 -16.531 19.853 -1.247 399 HB3 ALA 52 HB3 ALA 52 -16.632 21.237 -2.339 400 H ASN 53 HN ASN 53 -14.557 22.430 0.870 401 HA ASN 53 HA ASN 53 -13.062 20.448 2.324 402 HB2 ASN 53 HB2 ASN 53 -14.181 23.120 3.215 403 HB3 ASN 53 HB1 ASN 53 -13.144 22.098 4.197 404 HD21 ASN 53 HD21 ASN 53 -10.938 21.802 3.518 405 HD22 ASN 53 HD22 ASN 53 -10.184 22.970 2.499 406 HA PRO 54 HA PRO 54 -16.522 18.324 4.076 407 HB2 PRO 54 HB2 PRO 54 -15.343 17.229 6.232 408 HB3 PRO 54 HB1 PRO 54 -14.917 16.717 4.592 409 HG2 PRO 54 HG2 PRO 54 -13.547 18.721 6.352 410 HG3 PRO 54 HG1 PRO 54 -12.832 17.338 5.494 411 HD2 PRO 54 HD2 PRO 54 -12.693 19.796 4.477 412 HD3 PRO 54 HD1 PRO 54 -12.992 18.393 3.428 413 H GLU 55 HN GLU 55 -15.452 21.144 5.216 414 HA GLU 55 HA GLU 55 -16.540 21.059 7.871 415 HB2 GLU 55 HB2 GLU 55 -15.567 23.426 6.283 416 HB3 GLU 55 HB1 GLU 55 -15.867 23.375 8.015 417 HG2 GLU 55 HG2 GLU 55 -13.745 21.869 6.508 418 HG3 GLU 55 HG1 GLU 55 -13.515 23.228 7.606 419 H LYS 56 HN LYS 56 -17.782 21.485 4.788 420 HA LYS 56 HA LYS 56 -19.959 23.207 5.705 421 HB2 LYS 56 HB2 LYS 56 -19.260 22.219 2.943 422 HB3 LYS 56 HB1 LYS 56 -20.692 23.169 3.305 423 HG2 LYS 56 HG2 LYS 56 -18.681 24.677 4.408 424 HG3 LYS 56 HG1 LYS 56 -17.916 24.002 2.969 425 HD2 LYS 56 HD2 LYS 56 -18.938 26.100 2.369 426 HD3 LYS 56 HD1 LYS 56 -19.880 24.800 1.635 427 HE2 LYS 56 HE2 LYS 56 -21.505 24.956 3.471 428 HE3 LYS 56 HE1 LYS 56 -20.560 26.250 4.197 429 HZ1 LYS 56 HZ1 LYS 56 -20.972 27.574 2.193 430 HZ2 LYS 56 HZ2 LYS 56 -22.397 27.161 2.986 431 HZ3 LYS 56 HZ3 LYS 56 -21.963 26.352 1.575 432 H LYS 57 HN LYS 57 -22.059 22.612 5.781 433 HA LYS 57 HA LYS 57 -22.585 19.931 6.468 434 HB2 LYS 57 HB2 LYS 57 -23.767 21.982 7.349 435 HB3 LYS 57 HB1 LYS 57 -24.623 22.067 5.821 436 HG2 LYS 57 HG2 LYS 57 -24.760 19.493 7.269 437 HG3 LYS 57 HG1 LYS 57 -25.601 20.859 7.998 438 HD2 LYS 57 HD2 LYS 57 -25.973 19.963 5.141 439 HD3 LYS 57 HD1 LYS 57 -27.010 19.464 6.477 440 HE2 LYS 57 HE2 LYS 57 -27.500 21.865 6.908 441 HE3 LYS 57 HE1 LYS 57 -26.577 22.274 5.464 442 HZ1 LYS 57 HZ1 LYS 57 -29.040 20.626 5.569 443 HZ2 LYS 57 HZ2 LYS 57 -28.137 20.908 4.174 444 HZ3 LYS 57 HZ3 LYS 57 -28.903 22.193 4.956 445 H TRP 58 HN TRP 58 -23.054 21.755 3.497 446 HA TRP 58 HA TRP 58 -24.751 20.020 2.095 447 HB2 TRP 58 HB2 TRP 58 -22.443 21.663 1.014 448 HB3 TRP 58 HB1 TRP 58 -23.694 20.918 0.032 449 HD1 TRP 58 HD1 TRP 58 -22.977 23.939 2.170 450 HE1 TRP 58 HE1 TRP 58 -24.935 25.598 1.985 451 HE3 TRP 58 HE3 TRP 58 -26.309 20.967 -0.310 452 HZ2 TRP 58 HZ2 TRP 58 -27.550 25.636 0.913 453 HZ3 TRP 58 HZ3 TRP 58 -28.516 21.889 -0.883 454 HH2 TRP 58 HH2 TRP 58 -29.122 24.176 -0.281 455 H VAL 59 HN VAL 59 -21.288 20.082 2.487 456 HA VAL 59 HA VAL 59 -20.645 17.980 0.730 457 HB VAL 59 HB VAL 59 -19.145 19.003 3.155 458 HG11 VAL 59 HG11 VAL 59 -18.188 17.299 0.863 459 HG12 VAL 59 HG12 VAL 59 -18.360 16.791 2.543 460 HG13 VAL 59 HG13 VAL 59 -17.160 18.007 2.106 461 HG21 VAL 59 HG21 VAL 59 -17.846 20.300 1.542 462 HG22 VAL 59 HG22 VAL 59 -19.558 20.723 1.467 463 HG23 VAL 59 HG23 VAL 59 -18.852 19.684 0.231 464 H GLN 60 HN GLN 60 -21.433 18.136 4.130 465 HA GLN 60 HA GLN 60 -20.843 15.445 4.757 466 HB2 GLN 60 HB2 GLN 60 -22.826 17.292 6.096 467 HB3 GLN 60 HB1 GLN 60 -22.129 15.837 6.791 468 HG2 GLN 60 HG2 GLN 60 -20.569 18.285 6.010 469 HG3 GLN 60 HG1 GLN 60 -21.119 17.923 7.641 470 HE21 GLN 60 HE21 GLN 60 -18.898 17.112 5.121 471 HE22 GLN 60 HE22 GLN 60 -17.859 16.112 6.072 472 H GLU 61 HN GLU 61 -23.759 17.139 3.738 473 HA GLU 61 HA GLU 61 -25.482 14.936 3.943 474 HB2 GLU 61 HB2 GLU 61 -25.643 17.343 2.139 475 HB3 GLU 61 HB1 GLU 61 -26.959 16.217 2.450 476 HG2 GLU 61 HG2 GLU 61 -25.589 17.877 4.538 477 HG3 GLU 61 HG1 GLU 61 -27.107 18.294 3.756 478 H TYR 62 HN TYR 62 -23.597 16.225 1.267 479 HA TYR 62 HA TYR 62 -24.579 14.313 -0.588 480 HB2 TYR 62 HB2 TYR 62 -22.259 16.210 -0.628 481 HB3 TYR 62 HB1 TYR 62 -22.439 14.995 -1.892 482 HD1 TYR 62 HD1 TYR 62 -24.054 17.921 -0.315 483 HD2 TYR 62 HD2 TYR 62 -24.047 15.249 -3.614 484 HE1 TYR 62 HE1 TYR 62 -25.637 19.386 -1.494 485 HE2 TYR 62 HE2 TYR 62 -25.631 16.703 -4.802 486 HH TYR 62 HH TYR 62 -26.202 19.820 -3.995 487 H ILE 63 HN ILE 63 -21.785 14.399 1.530 488 HA ILE 63 HA ILE 63 -20.589 12.031 0.542 489 HB ILE 63 HB ILE 63 -20.404 13.435 3.204 490 HG12 ILE 63 HG12 ILE 63 -18.390 12.997 0.987 491 HG13 ILE 63 HG11 ILE 63 -19.298 14.478 1.267 492 HG21 ILE 63 HG21 ILE 63 -18.590 11.900 3.838 493 HG22 ILE 63 HG22 ILE 63 -18.929 10.922 2.409 494 HG23 ILE 63 HG23 ILE 63 -20.139 11.069 3.685 495 HD11 ILE 63 HD11 ILE 63 -17.248 13.259 3.100 496 HD12 ILE 63 HD12 ILE 63 -18.207 14.694 3.459 497 HD13 ILE 63 HD13 ILE 63 -17.065 14.713 2.117 498 H ASN 64 HN ASN 64 -22.825 12.617 3.213 499 HA ASN 64 HA ASN 64 -22.979 9.915 4.013 500 HB2 ASN 64 HB2 ASN 64 -24.051 10.816 5.760 501 HB3 ASN 64 HB1 ASN 64 -23.960 12.378 4.960 502 HD21 ASN 64 HD21 ASN 64 -25.760 13.156 3.886 503 HD22 ASN 64 HD22 ASN 64 -27.342 12.511 4.141 504 H TYR 65 HN TYR 65 -24.755 11.804 1.664 505 HA TYR 65 HA TYR 65 -26.729 9.763 1.259 506 HB2 TYR 65 HB2 TYR 65 -26.101 12.309 -0.203 507 HB3 TYR 65 HB1 TYR 65 -27.275 11.161 -0.828 508 HD1 TYR 65 HD1 TYR 65 -27.384 14.158 0.423 509 HD2 TYR 65 HD2 TYR 65 -28.590 10.278 1.690 510 HE1 TYR 65 HE1 TYR 65 -29.098 15.164 1.867 511 HE2 TYR 65 HE2 TYR 65 -30.303 11.278 3.134 512 HH TYR 65 HH TYR 65 -31.289 14.451 2.877 513 H LEU 66 HN LEU 66 -23.747 10.711 -0.371 514 HA LEU 66 HA LEU 66 -24.158 8.860 -2.515 515 HB2 LEU 66 HB2 LEU 66 -21.698 10.354 -1.621 516 HB3 LEU 66 HB1 LEU 66 -21.720 9.284 -3.006 517 HG LEU 66 HG LEU 66 -23.365 11.788 -2.692 518 HD11 LEU 66 HD11 LEU 66 -20.983 12.243 -2.941 519 HD12 LEU 66 HD12 LEU 66 -21.874 12.705 -4.389 520 HD13 LEU 66 HD13 LEU 66 -20.929 11.217 -4.373 521 HD21 LEU 66 HD21 LEU 66 -24.491 10.118 -4.069 522 HD22 LEU 66 HD22 LEU 66 -23.030 9.909 -5.033 523 HD23 LEU 66 HD23 LEU 66 -23.895 11.445 -5.064 524 H GLU 67 HN GLU 67 -22.527 8.712 0.598 525 HA GLU 67 HA GLU 67 -21.168 6.278 0.083 526 HB2 GLU 67 HB2 GLU 67 -20.624 6.230 2.391 527 HB3 GLU 67 HB1 GLU 67 -20.648 7.929 1.939 528 HG2 GLU 67 HG2 GLU 67 -22.766 8.246 2.973 529 HG3 GLU 67 HG1 GLU 67 -22.941 6.518 3.260 530 H MET 68 HN MET 68 -24.405 7.036 1.129 531 HA MET 68 HA MET 68 -24.956 4.255 1.793 532 HB2 MET 68 HB2 MET 68 -27.164 4.999 2.438 533 HB3 MET 68 HB1 MET 68 -25.948 6.009 3.203 534 HG2 MET 68 HG2 MET 68 -26.372 7.781 1.625 535 HG3 MET 68 HG1 MET 68 -27.490 6.755 0.726 536 HE1 MET 68 HE1 MET 68 -30.454 6.358 3.229 537 HE2 MET 68 HE2 MET 68 -29.089 5.274 2.974 538 HE3 MET 68 HE3 MET 68 -29.878 6.037 1.595 539 H SER 69 HN SER 69 -24.929 6.180 -0.907 540 HA SER 69 HA SER 69 -25.693 6.015 -3.022 541 HB2 SER 69 HB2 SER 69 -26.001 3.119 -2.257 542 HB3 SER 69 HB1 SER 69 -25.914 3.755 -3.904 543 HG SER 69 HG SER 69 -23.835 4.642 -2.434 544 H1 MET 1 HT1 MET 1 -14.726 28.159 -20.993 545 HA MET 1 HA MET 1 -16.712 27.024 -21.655 546 HB2 MET 1 HB2 MET 1 -15.678 25.891 -23.622 547 HB3 MET 1 HB1 MET 1 -14.827 24.817 -22.524 548 HG2 MET 1 HG2 MET 1 -16.983 23.974 -21.704 549 HG3 MET 1 HG1 MET 1 -17.812 25.023 -22.852 550 HE1 MET 1 HE1 MET 1 -16.657 23.503 -26.290 551 HE2 MET 1 HE2 MET 1 -15.844 24.791 -25.404 552 HE3 MET 1 HE3 MET 1 -17.604 24.764 -25.500 553 H SER 2 HN SER 2 -13.848 26.416 -19.944 554 HA SER 2 HA SER 2 -15.144 24.566 -18.078 555 HB2 SER 2 HB2 SER 2 -12.259 25.455 -18.114 556 HB3 SER 2 HB1 SER 2 -12.945 24.062 -17.278 557 HG SER 2 HG SER 2 -13.617 23.464 -19.562 558 HA PRO 3 HA PRO 3 -15.349 28.192 -15.387 559 HB2 PRO 3 HB2 PRO 3 -17.612 27.459 -14.086 560 HB3 PRO 3 HB1 PRO 3 -17.636 28.215 -15.680 561 HG2 PRO 3 HG2 PRO 3 -18.234 25.439 -14.933 562 HG3 PRO 3 HG1 PRO 3 -18.654 26.316 -16.410 563 HD2 PRO 3 HD2 PRO 3 -16.487 24.444 -15.976 564 HD3 PRO 3 HD1 PRO 3 -16.977 25.238 -17.485 565 H TYR 4 HN TYR 4 -13.468 27.511 -14.270 566 HA TYR 4 HA TYR 4 -13.889 25.600 -12.074 567 HB2 TYR 4 HB2 TYR 4 -11.444 25.261 -12.094 568 HB3 TYR 4 HB1 TYR 4 -12.156 24.895 -13.660 569 HD1 TYR 4 HD1 TYR 4 -9.770 26.929 -11.865 570 HD2 TYR 4 HD2 TYR 4 -11.897 26.569 -15.534 571 HE1 TYR 4 HE1 TYR 4 -8.192 28.486 -12.926 572 HE2 TYR 4 HE2 TYR 4 -10.323 28.122 -16.604 573 HH TYR 4 HH TYR 4 -8.789 29.940 -15.918 574 H GLY 5 HN GLY 5 -13.633 26.240 -10.012 575 HA2 GLY 5 HA2 GLY 5 -12.017 28.550 -9.367 576 HA3 GLY 5 HA1 GLY 5 -13.741 28.779 -9.117 577 H SER 6 HN SER 6 -12.850 25.566 -8.673 578 HA SER 6 HA SER 6 -11.948 25.572 -6.010 579 HB2 SER 6 HB2 SER 6 -14.290 26.565 -5.788 580 HB3 SER 6 HB1 SER 6 -14.902 24.984 -6.257 581 HG SER 6 HG SER 6 -14.033 24.096 -4.417 582 H ASP 7 HN ASP 7 -11.195 24.148 -8.202 583 HA ASP 7 HA ASP 7 -12.335 21.493 -7.693 584 HB2 ASP 7 HB2 ASP 7 -11.983 20.868 -9.953 585 HB3 ASP 7 HB1 ASP 7 -12.774 22.438 -9.984 586 H THR 8 HN THR 8 -10.599 19.843 -8.805 587 HA THR 8 HA THR 8 -8.618 19.636 -6.838 588 HB THR 8 HB THR 8 -8.216 18.122 -9.341 589 HG1 THR 8 HG1 THR 8 -10.594 17.963 -7.751 590 HG21 THR 8 HG21 THR 8 -8.226 16.255 -7.756 591 HG22 THR 8 HG22 THR 8 -8.643 17.369 -6.454 592 HG23 THR 8 HG23 THR 8 -7.085 17.513 -7.276 593 H THR 9 HN THR 9 -6.669 20.497 -6.702 594 HA THR 9 HA THR 9 -5.580 21.884 -9.037 595 HB THR 9 HB THR 9 -4.975 22.195 -6.091 596 HG1 THR 9 HG1 THR 9 -7.074 22.976 -7.242 597 HG21 THR 9 HG21 THR 9 -4.111 23.962 -8.383 598 HG22 THR 9 HG22 THR 9 -3.084 22.732 -7.650 599 HG23 THR 9 HG23 THR 9 -3.641 24.096 -6.686 600 HA PRO 10 HA PRO 10 -2.254 18.825 -9.019 601 HB2 PRO 10 HB2 PRO 10 -0.764 20.059 -10.950 602 HB3 PRO 10 HB1 PRO 10 -2.128 18.990 -11.317 603 HG2 PRO 10 HG2 PRO 10 -1.975 21.966 -11.334 604 HG3 PRO 10 HG1 PRO 10 -2.900 20.885 -12.387 605 HD2 PRO 10 HD2 PRO 10 -3.981 22.305 -10.304 606 HD3 PRO 10 HD1 PRO 10 -4.666 20.796 -10.939 607 H CYS 11 HN CYS 11 -0.971 19.038 -7.258 608 HA CYS 11 HA CYS 11 0.811 21.358 -7.168 609 HB2 CYS 11 HB2 CYS 11 -1.220 21.717 -5.691 610 HB3 CYS 11 HB1 CYS 11 -0.659 20.361 -4.723 611 H CYS 12 HN CYS 12 2.477 20.976 -5.334 612 HA CYS 12 HA CYS 12 3.081 18.319 -4.603 613 HB2 CYS 12 HB2 CYS 12 5.113 18.077 -6.048 614 HB3 CYS 12 HB1 CYS 12 3.582 17.963 -6.912 615 H PHE 13 HN PHE 13 4.710 18.228 -3.140 616 HA PHE 13 HA PHE 13 6.589 20.406 -2.900 617 HB2 PHE 13 HB2 PHE 13 4.747 21.145 -1.457 618 HB3 PHE 13 HB1 PHE 13 4.790 19.612 -0.591 619 HD1 PHE 13 HD1 PHE 13 6.929 22.537 -1.449 620 HD2 PHE 13 HD2 PHE 13 6.078 19.431 1.331 621 HE1 PHE 13 HE1 PHE 13 8.575 23.487 0.110 622 HE2 PHE 13 HE2 PHE 13 7.722 20.375 2.893 623 HZ PHE 13 HZ PHE 13 8.975 22.406 2.284 624 H ALA 14 HN ALA 14 8.069 18.887 -3.561 625 HA ALA 14 HA ALA 14 9.308 17.402 -1.517 626 HB1 ALA 14 HB1 ALA 14 7.467 15.827 -1.979 627 HB2 ALA 14 HB2 ALA 14 9.030 15.155 -2.442 628 HB3 ALA 14 HB3 ALA 14 7.940 15.783 -3.678 629 H TYR 15 HN TYR 15 10.952 15.844 -2.767 630 HA TYR 15 HA TYR 15 11.778 16.866 -5.304 631 HB2 TYR 15 HB2 TYR 15 14.042 17.558 -4.510 632 HB3 TYR 15 HB1 TYR 15 12.753 18.605 -3.933 633 HD1 TYR 15 HD1 TYR 15 15.232 16.069 -2.975 634 HD2 TYR 15 HD2 TYR 15 12.200 18.711 -1.582 635 HE1 TYR 15 HE1 TYR 15 16.006 15.738 -0.656 636 HE2 TYR 15 HE2 TYR 15 12.965 18.386 0.730 637 HH TYR 15 HH TYR 15 14.219 16.449 1.962 638 H LEU 16 HN LEU 16 13.033 15.432 -6.357 639 HA LEU 16 HA LEU 16 13.430 12.885 -5.028 640 HB2 LEU 16 HB2 LEU 16 12.714 13.639 -7.611 641 HB3 LEU 16 HB1 LEU 16 14.366 13.071 -7.756 642 HG LEU 16 HG LEU 16 12.160 11.452 -6.485 643 HD11 LEU 16 HD11 LEU 16 12.097 10.173 -8.568 644 HD12 LEU 16 HD12 LEU 16 13.226 11.317 -9.301 645 HD13 LEU 16 HD13 LEU 16 11.614 11.850 -8.817 646 HD21 LEU 16 HD21 LEU 16 13.702 9.583 -6.797 647 HD22 LEU 16 HD22 LEU 16 14.418 10.839 -5.787 648 HD23 LEU 16 HD23 LEU 16 14.905 10.682 -7.474 649 H SER 17 HN SER 17 15.289 12.188 -4.333 650 HA SER 17 HA SER 17 17.531 13.831 -4.103 651 HB2 SER 17 HB2 SER 17 17.339 10.829 -3.884 652 HB3 SER 17 HB1 SER 17 18.651 11.823 -3.238 653 HG SER 17 HG SER 17 16.099 11.389 -2.279 654 H LEU 18 HN LEU 18 16.734 11.303 -6.415 655 HA LEU 18 HA LEU 18 19.165 11.954 -7.912 656 HB2 LEU 18 HB2 LEU 18 17.457 9.464 -7.902 657 HB3 LEU 18 HB1 LEU 18 18.663 9.780 -9.131 658 HG LEU 18 HG LEU 18 20.362 9.892 -7.226 659 HD11 LEU 18 HD11 LEU 18 19.784 8.676 -5.189 660 HD12 LEU 18 HD12 LEU 18 18.110 8.564 -5.732 661 HD13 LEU 18 HD13 LEU 18 18.818 10.139 -5.372 662 HD21 LEU 18 HD21 LEU 18 20.597 7.468 -7.158 663 HD22 LEU 18 HD22 LEU 18 20.215 8.034 -8.784 664 HD23 LEU 18 HD23 LEU 18 18.962 7.289 -7.791 665 H ALA 19 HN ALA 19 18.901 13.079 -9.695 666 HA ALA 19 HA ALA 19 16.187 13.432 -10.707 667 HB1 ALA 19 HB1 ALA 19 17.394 15.441 -10.013 668 HB2 ALA 19 HB2 ALA 19 17.020 15.470 -11.738 669 HB3 ALA 19 HB3 ALA 19 18.656 15.091 -11.194 670 H LEU 20 HN LEU 20 15.772 13.372 -12.936 671 HA LEU 20 HA LEU 20 17.388 11.429 -14.327 672 HB2 LEU 20 HB2 LEU 20 15.535 11.576 -16.048 673 HB3 LEU 20 HB1 LEU 20 15.091 10.966 -14.471 674 HG LEU 20 HG LEU 20 14.332 13.430 -14.025 675 HD11 LEU 20 HD11 LEU 20 13.492 14.565 -16.005 676 HD12 LEU 20 HD12 LEU 20 14.216 13.328 -17.033 677 HD13 LEU 20 HD13 LEU 20 15.245 14.386 -16.068 678 HD21 LEU 20 HD21 LEU 20 12.855 11.506 -14.055 679 HD22 LEU 20 HD22 LEU 20 12.804 11.553 -15.817 680 HD23 LEU 20 HD23 LEU 20 12.109 12.875 -14.879 681 HA PRO 21 HA PRO 21 19.827 14.197 -16.674 682 HB2 PRO 21 HB2 PRO 21 19.931 12.759 -19.047 683 HB3 PRO 21 HB1 PRO 21 20.974 12.501 -17.647 684 HG2 PRO 21 HG2 PRO 21 18.519 11.030 -18.478 685 HG3 PRO 21 HG1 PRO 21 20.013 10.408 -17.758 686 HD2 PRO 21 HD2 PRO 21 17.778 10.709 -16.317 687 HD3 PRO 21 HD1 PRO 21 19.383 11.011 -15.621 688 H ARG 22 HN ARG 22 19.846 15.587 -18.482 689 HA ARG 22 HA ARG 22 17.450 16.877 -19.034 690 HB2 ARG 22 HB2 ARG 22 20.093 16.966 -20.477 691 HB3 ARG 22 HB1 ARG 22 18.754 18.040 -20.853 692 HG2 ARG 22 HG2 ARG 22 18.857 19.053 -18.698 693 HG3 ARG 22 HG1 ARG 22 19.991 17.834 -18.117 694 HD2 ARG 22 HD2 ARG 22 20.570 19.738 -20.377 695 HD3 ARG 22 HD1 ARG 22 21.027 20.032 -18.699 696 HE ARG 22 HE ARG 22 22.162 17.673 -19.084 697 HH11 ARG 22 HH11 ARG 22 22.118 20.447 -21.239 698 HH12 ARG 22 HH12 ARG 22 23.676 20.104 -21.903 699 HH21 ARG 22 HH21 ARG 22 24.230 17.227 -19.983 700 HH22 ARG 22 HH22 ARG 22 24.875 18.279 -21.190 701 H ALA 23 HN ALA 23 19.074 14.357 -20.855 702 HA ALA 23 HA ALA 23 17.539 14.599 -23.222 703 HB1 ALA 23 HB1 ALA 23 18.976 12.186 -22.123 704 HB2 ALA 23 HB2 ALA 23 19.674 13.422 -23.168 705 HB3 ALA 23 HB3 ALA 23 18.391 12.376 -23.775 706 H HIS 24 HN HIS 24 16.827 13.284 -20.134 707 HA HIS 24 HA HIS 24 14.703 11.584 -21.136 708 HB2 HIS 24 HB2 HIS 24 15.874 12.069 -18.408 709 HB3 HIS 24 HB1 HIS 24 14.396 11.147 -18.636 710 HD1 HIS 24 HD1 HIS 24 15.226 8.844 -18.044 711 HD2 HIS 24 HD2 HIS 24 17.642 10.741 -20.843 712 HE1 HIS 24 HE1 HIS 24 16.875 7.110 -18.792 713 H VAL 25 HN VAL 25 15.163 14.758 -19.936 714 HA VAL 25 HA VAL 25 12.338 15.020 -19.270 715 HB VAL 25 HB VAL 25 14.209 15.998 -17.788 716 HG11 VAL 25 HG11 VAL 25 14.168 18.183 -19.856 717 HG12 VAL 25 HG12 VAL 25 15.494 17.048 -19.608 718 HG13 VAL 25 HG13 VAL 25 15.054 18.186 -18.334 719 HG21 VAL 25 HG21 VAL 25 11.866 16.511 -17.456 720 HG22 VAL 25 HG22 VAL 25 11.950 17.777 -18.682 721 HG23 VAL 25 HG23 VAL 25 12.858 17.943 -17.179 722 H LYS 26 HN LYS 26 11.047 16.637 -20.251 723 HA LYS 26 HA LYS 26 11.928 17.275 -22.981 724 HB2 LYS 26 HB2 LYS 26 10.009 15.728 -22.802 725 HB3 LYS 26 HB1 LYS 26 9.126 16.945 -21.898 726 HG2 LYS 26 HG2 LYS 26 8.954 18.355 -23.791 727 HG3 LYS 26 HG1 LYS 26 10.115 17.386 -24.703 728 HD2 LYS 26 HD2 LYS 26 7.909 16.864 -25.491 729 HD3 LYS 26 HD1 LYS 26 8.517 15.480 -24.585 730 HE2 LYS 26 HE2 LYS 26 6.299 15.728 -23.864 731 HE3 LYS 26 HE1 LYS 26 7.260 16.457 -22.584 732 HZ1 LYS 26 HZ1 LYS 26 5.901 17.949 -24.758 733 HZ2 LYS 26 HZ2 LYS 26 6.754 18.657 -23.485 734 HZ3 LYS 26 HZ3 LYS 26 5.319 17.807 -23.185 735 H GLU 27 HN GLU 27 10.507 18.543 -20.037 736 HA GLU 27 HA GLU 27 11.317 21.193 -20.545 737 HB2 GLU 27 HB2 GLU 27 9.085 22.231 -20.817 738 HB3 GLU 27 HB1 GLU 27 9.519 21.206 -22.178 739 HG2 GLU 27 HG2 GLU 27 8.195 19.391 -20.991 740 HG3 GLU 27 HG1 GLU 27 7.536 20.702 -20.010 741 H TYR 28 HN TYR 28 9.936 22.707 -18.968 742 HA TYR 28 HA TYR 28 9.234 21.236 -16.546 743 HB2 TYR 28 HB2 TYR 28 10.590 22.574 -15.127 744 HB3 TYR 28 HB1 TYR 28 11.638 22.047 -16.436 745 HD1 TYR 28 HD1 TYR 28 10.431 24.818 -14.575 746 HD2 TYR 28 HD2 TYR 28 12.010 23.727 -18.372 747 HE1 TYR 28 HE1 TYR 28 11.050 27.160 -14.984 748 HE2 TYR 28 HE2 TYR 28 12.636 26.067 -18.789 749 HH TYR 28 HH TYR 28 12.669 28.417 -16.356 750 H PHE 29 HN PHE 29 7.965 22.518 -15.060 751 HA PHE 29 HA PHE 29 6.691 24.891 -16.156 752 HB2 PHE 29 HB2 PHE 29 5.459 22.877 -17.050 753 HB3 PHE 29 HB1 PHE 29 5.109 22.418 -15.392 754 HD1 PHE 29 HD1 PHE 29 4.869 25.559 -17.409 755 HD2 PHE 29 HD2 PHE 29 2.940 22.816 -14.790 756 HE1 PHE 29 HE1 PHE 29 2.826 26.924 -17.491 757 HE2 PHE 29 HE2 PHE 29 0.893 24.180 -14.864 758 HZ PHE 29 HZ PHE 29 0.835 26.236 -16.216 759 H TYR 30 HN TYR 30 5.117 25.761 -14.454 760 HA TYR 30 HA TYR 30 6.299 25.269 -11.812 761 HB2 TYR 30 HB2 TYR 30 4.933 27.729 -12.916 762 HB3 TYR 30 HB1 TYR 30 5.446 27.551 -11.242 763 HD1 TYR 30 HD1 TYR 30 6.579 27.994 -14.706 764 HD2 TYR 30 HD2 TYR 30 7.788 27.650 -10.643 765 HE1 TYR 30 HE1 TYR 30 8.819 28.810 -15.309 766 HE2 TYR 30 HE2 TYR 30 10.029 28.466 -11.234 767 HH TYR 30 HH TYR 30 10.730 29.817 -14.329 768 H THR 31 HN THR 31 4.949 25.224 -9.973 769 HA THR 31 HA THR 31 2.615 23.718 -10.263 770 HB THR 31 HB THR 31 2.272 24.422 -7.792 771 HG1 THR 31 HG1 THR 31 3.630 25.844 -7.044 772 HG21 THR 31 HG21 THR 31 4.802 23.025 -8.650 773 HG22 THR 31 HG22 THR 31 3.207 22.284 -8.531 774 HG23 THR 31 HG23 THR 31 4.012 22.878 -7.078 775 H SER 32 HN SER 32 0.429 24.248 -9.565 776 HA SER 32 HA SER 32 -0.595 26.512 -10.882 777 HB2 SER 32 HB2 SER 32 -1.891 24.418 -10.446 778 HB3 SER 32 HB1 SER 32 -1.968 24.863 -8.741 779 HG SER 32 HG SER 32 -3.712 25.501 -10.467 780 H SER 33 HN SER 33 -1.853 28.264 -9.927 781 HA SER 33 HA SER 33 -0.371 29.664 -7.965 782 HB2 SER 33 HB2 SER 33 -2.340 31.281 -8.142 783 HB3 SER 33 HB1 SER 33 -1.439 30.966 -9.627 784 HG SER 33 HG SER 33 -3.470 30.673 -10.270 785 H LYS 34 HN LYS 34 -2.917 27.410 -7.816 786 HA LYS 34 HA LYS 34 -3.953 28.273 -5.256 787 HB2 LYS 34 HB2 LYS 34 -4.483 25.793 -6.889 788 HB3 LYS 34 HB1 LYS 34 -5.327 26.212 -5.406 789 HG2 LYS 34 HG2 LYS 34 -5.320 27.845 -7.927 790 HG3 LYS 34 HG1 LYS 34 -6.603 26.740 -7.430 791 HD2 LYS 34 HD2 LYS 34 -6.951 28.066 -5.391 792 HD3 LYS 34 HD1 LYS 34 -5.676 29.174 -5.902 793 HE2 LYS 34 HE2 LYS 34 -6.973 29.747 -7.888 794 HE3 LYS 34 HE1 LYS 34 -8.243 28.634 -7.384 795 HZ1 LYS 34 HZ1 LYS 34 -8.662 29.974 -5.459 796 HZ2 LYS 34 HZ2 LYS 34 -8.708 30.969 -6.822 797 HZ3 LYS 34 HZ3 LYS 34 -7.356 30.988 -5.807 798 H CYS 35 HN CYS 35 -1.212 26.702 -6.199 799 HA CYS 35 HA CYS 35 -1.093 24.603 -4.302 800 HB2 CYS 35 HB2 CYS 35 0.993 26.021 -5.928 801 HB3 CYS 35 HB1 CYS 35 1.420 24.777 -4.755 802 H SER 36 HN SER 36 0.328 24.454 -2.495 803 HA SER 36 HA SER 36 0.050 26.723 -0.771 804 HB2 SER 36 HB2 SER 36 1.238 25.108 0.846 805 HB3 SER 36 HB1 SER 36 -0.364 24.654 0.260 806 HG SER 36 HG SER 36 2.144 23.712 -0.730 807 H ASN 37 HN ASN 37 2.446 25.595 -2.889 808 HA ASN 37 HA ASN 37 4.364 27.536 -1.915 809 HB2 ASN 37 HB2 ASN 37 6.188 25.826 -1.846 810 HB3 ASN 37 HB1 ASN 37 4.977 25.623 -0.582 811 HD21 ASN 37 HD21 ASN 37 6.334 24.290 -3.495 812 HD22 ASN 37 HD22 ASN 37 5.507 22.770 -3.422 813 H LEU 38 HN LEU 38 6.379 27.417 -3.364 814 HA LEU 38 HA LEU 38 5.481 27.183 -6.129 815 HB2 LEU 38 HB2 LEU 38 6.614 29.277 -5.202 816 HB3 LEU 38 HB1 LEU 38 8.081 28.333 -5.086 817 HG LEU 38 HG LEU 38 8.025 29.823 -7.065 818 HD11 LEU 38 HD11 LEU 38 8.083 26.907 -7.774 819 HD12 LEU 38 HD12 LEU 38 9.426 27.863 -7.146 820 HD13 LEU 38 HD13 LEU 38 8.756 28.224 -8.735 821 HD21 LEU 38 HD21 LEU 38 5.761 28.061 -7.992 822 HD22 LEU 38 HD22 LEU 38 6.570 29.294 -8.958 823 HD23 LEU 38 HD23 LEU 38 5.641 29.760 -7.533 824 H ALA 39 HN ALA 39 6.038 25.480 -7.286 825 HA ALA 39 HA ALA 39 8.589 24.169 -6.813 826 HB1 ALA 39 HB1 ALA 39 7.571 21.940 -6.797 827 HB2 ALA 39 HB2 ALA 39 5.966 22.672 -6.827 828 HB3 ALA 39 HB3 ALA 39 7.014 22.904 -5.428 829 H VAL 40 HN VAL 40 9.012 22.582 -8.612 830 HA VAL 40 HA VAL 40 7.699 23.564 -11.038 831 HB VAL 40 HB VAL 40 9.797 23.030 -12.274 832 HG11 VAL 40 HG11 VAL 40 9.226 25.297 -11.679 833 HG12 VAL 40 HG12 VAL 40 10.970 25.051 -11.579 834 HG13 VAL 40 HG13 VAL 40 9.998 25.096 -10.104 835 HG21 VAL 40 HG21 VAL 40 11.871 22.851 -11.017 836 HG22 VAL 40 HG22 VAL 40 10.783 21.506 -10.670 837 HG23 VAL 40 HG23 VAL 40 10.957 22.823 -9.507 838 H VAL 41 HN VAL 41 7.221 22.205 -12.596 839 HA VAL 41 HA VAL 41 7.269 19.357 -11.902 840 HB VAL 41 HB VAL 41 5.254 20.806 -13.629 841 HG11 VAL 41 HG11 VAL 41 3.963 18.739 -13.422 842 HG12 VAL 41 HG12 VAL 41 5.289 18.015 -12.510 843 HG13 VAL 41 HG13 VAL 41 5.525 18.477 -14.197 844 HG21 VAL 41 HG21 VAL 41 3.681 20.545 -11.769 845 HG22 VAL 41 HG22 VAL 41 5.058 21.549 -11.311 846 HG23 VAL 41 HG23 VAL 41 4.970 19.872 -10.771 847 H PHE 42 HN PHE 42 8.706 18.340 -13.133 848 HA PHE 42 HA PHE 42 9.382 19.408 -15.758 849 HB2 PHE 42 HB2 PHE 42 10.597 17.178 -14.127 850 HB3 PHE 42 HB1 PHE 42 11.146 17.630 -15.731 851 HD1 PHE 42 HD1 PHE 42 11.073 18.521 -12.209 852 HD2 PHE 42 HD2 PHE 42 12.312 19.734 -16.090 853 HE1 PHE 42 HE1 PHE 42 12.559 20.198 -11.205 854 HE2 PHE 42 HE2 PHE 42 13.804 21.415 -15.098 855 HZ PHE 42 HZ PHE 42 13.935 21.648 -12.649 856 H VAL 43 HN VAL 43 8.711 18.566 -17.578 857 HA VAL 43 HA VAL 43 7.021 16.185 -17.458 858 HB VAL 43 HB VAL 43 7.416 18.160 -19.718 859 HG11 VAL 43 HG11 VAL 43 6.707 15.949 -20.467 860 HG12 VAL 43 HG12 VAL 43 5.442 17.153 -20.698 861 HG13 VAL 43 HG13 VAL 43 5.339 16.012 -19.353 862 HG21 VAL 43 HG21 VAL 43 5.176 17.953 -17.710 863 HG22 VAL 43 HG22 VAL 43 5.201 19.029 -19.106 864 HG23 VAL 43 HG23 VAL 43 6.375 19.242 -17.807 865 H THR 44 HN THR 44 7.913 14.308 -17.997 866 HA THR 44 HA THR 44 10.537 14.211 -19.161 867 HB THR 44 HB THR 44 10.332 11.769 -18.940 868 HG1 THR 44 HG1 THR 44 7.816 12.117 -17.737 869 HG21 THR 44 HG21 THR 44 11.000 13.084 -16.974 870 HG22 THR 44 HG22 THR 44 10.060 11.664 -16.509 871 HG23 THR 44 HG23 THR 44 9.302 13.257 -16.522 872 H ARG 45 HN ARG 45 10.935 12.522 -20.913 873 HA ARG 45 HA ARG 45 9.547 13.295 -23.267 874 HB2 ARG 45 HB2 ARG 45 11.555 11.089 -22.767 875 HB3 ARG 45 HB1 ARG 45 10.949 11.515 -24.361 876 HG2 ARG 45 HG2 ARG 45 12.415 13.420 -22.541 877 HG3 ARG 45 HG1 ARG 45 13.174 12.480 -23.828 878 HD2 ARG 45 HD2 ARG 45 11.778 13.561 -25.480 879 HD3 ARG 45 HD1 ARG 45 10.920 14.446 -24.223 880 HE ARG 45 HE ARG 45 13.515 15.163 -23.865 881 HH11 ARG 45 HH11 ARG 45 11.330 15.198 -26.619 882 HH12 ARG 45 HH12 ARG 45 12.076 16.564 -27.368 883 HH21 ARG 45 HH21 ARG 45 14.516 16.992 -24.863 884 HH22 ARG 45 HH22 ARG 45 13.897 17.584 -26.365 885 H ARG 46 HN ARG 46 8.905 10.988 -20.890 886 HA ARG 46 HA ARG 46 7.270 9.353 -22.676 887 HB2 ARG 46 HB2 ARG 46 8.185 8.970 -19.829 888 HB3 ARG 46 HB1 ARG 46 6.887 8.001 -20.509 889 HG2 ARG 46 HG2 ARG 46 8.817 6.703 -20.755 890 HG3 ARG 46 HG1 ARG 46 8.517 7.381 -22.353 891 HD2 ARG 46 HD2 ARG 46 10.130 9.262 -21.564 892 HD3 ARG 46 HD1 ARG 46 10.645 8.073 -20.368 893 HE ARG 46 HE ARG 46 10.602 7.231 -23.150 894 HH11 ARG 46 HH11 ARG 46 12.537 8.241 -20.384 895 HH12 ARG 46 HH12 ARG 46 14.029 7.757 -21.116 896 HH21 ARG 46 HH21 ARG 46 12.603 6.612 -24.098 897 HH22 ARG 46 HH22 ARG 46 14.070 6.853 -23.210 898 H ASN 47 HN ASN 47 6.819 12.180 -21.570 899 HA ASN 47 HA ASN 47 5.034 13.499 -21.158 900 HB2 ASN 47 HB2 ASN 47 3.497 10.971 -21.743 901 HB3 ASN 47 HB1 ASN 47 2.719 12.517 -21.419 902 HD21 ASN 47 HD21 ASN 47 4.499 10.623 -23.681 903 HD22 ASN 47 HD22 ASN 47 4.369 11.715 -25.014 904 H ARG 48 HN ARG 48 6.271 11.635 -19.038 905 HA ARG 48 HA ARG 48 4.098 11.737 -17.070 906 HB2 ARG 48 HB2 ARG 48 5.470 9.659 -17.220 907 HB3 ARG 48 HB1 ARG 48 6.887 10.597 -16.767 908 HG2 ARG 48 HG2 ARG 48 5.692 11.199 -14.640 909 HG3 ARG 48 HG1 ARG 48 4.453 10.028 -15.090 910 HD2 ARG 48 HD2 ARG 48 7.381 9.457 -14.642 911 HD3 ARG 48 HD1 ARG 48 6.060 9.041 -13.552 912 HE ARG 48 HE ARG 48 5.844 7.954 -16.223 913 HH11 ARG 48 HH11 ARG 48 6.909 7.410 -12.927 914 HH12 ARG 48 HH12 ARG 48 7.014 5.695 -13.099 915 HH21 ARG 48 HH21 ARG 48 5.973 5.710 -16.476 916 HH22 ARG 48 HH22 ARG 48 6.489 4.706 -15.167 917 H GLN 49 HN GLN 49 4.078 13.205 -15.441 918 HA GLN 49 HA GLN 49 6.189 15.207 -15.571 919 HB2 GLN 49 HB2 GLN 49 3.630 15.384 -13.973 920 HB3 GLN 49 HB1 GLN 49 4.760 16.661 -14.365 921 HG2 GLN 49 HG2 GLN 49 4.200 16.331 -16.769 922 HG3 GLN 49 HG1 GLN 49 2.912 15.245 -16.245 923 HE21 GLN 49 HE21 GLN 49 2.627 16.898 -13.781 924 HE22 GLN 49 HE22 GLN 49 1.677 18.261 -14.284 925 H VAL 50 HN VAL 50 7.256 15.931 -13.770 926 HA VAL 50 HA VAL 50 7.100 14.294 -11.349 927 HB VAL 50 HB VAL 50 8.952 13.454 -12.786 928 HG11 VAL 50 HG11 VAL 50 10.880 14.814 -13.249 929 HG12 VAL 50 HG12 VAL 50 10.102 16.190 -12.456 930 HG13 VAL 50 HG13 VAL 50 9.412 15.522 -13.935 931 HG21 VAL 50 HG21 VAL 50 9.163 13.256 -10.378 932 HG22 VAL 50 HG22 VAL 50 9.864 14.872 -10.293 933 HG23 VAL 50 HG23 VAL 50 10.741 13.571 -11.105 934 H CYS 51 HN CYS 51 7.774 15.464 -9.460 935 HA CYS 51 HA CYS 51 7.845 18.369 -9.918 936 HB2 CYS 51 HB2 CYS 51 6.511 16.801 -7.736 937 HB3 CYS 51 HB1 CYS 51 6.705 18.550 -7.717 938 H ALA 52 HN ALA 52 9.145 19.626 -8.661 939 HA ALA 52 HA ALA 52 10.650 18.455 -6.495 940 HB1 ALA 52 HB1 ALA 52 12.832 18.967 -7.436 941 HB2 ALA 52 HB2 ALA 52 12.074 19.513 -8.932 942 HB3 ALA 52 HB3 ALA 52 11.974 17.815 -8.462 943 H ASN 53 HN ASN 53 11.634 19.992 -5.193 944 HA ASN 53 HA ASN 53 10.481 22.624 -5.369 945 HB2 ASN 53 HB2 ASN 53 12.340 21.359 -3.339 946 HB3 ASN 53 HB1 ASN 53 11.730 23.003 -3.215 947 HD21 ASN 53 HD21 ASN 53 9.082 22.359 -4.237 948 HD22 ASN 53 HD22 ASN 53 8.281 21.495 -2.976 949 HA PRO 54 HA PRO 54 13.865 24.492 -7.522 950 HB2 PRO 54 HB2 PRO 54 13.522 27.057 -6.802 951 HB3 PRO 54 HB1 PRO 54 12.350 26.230 -7.840 952 HG2 PRO 54 HG2 PRO 54 12.273 26.640 -4.870 953 HG3 PRO 54 HG1 PRO 54 11.004 27.000 -6.066 954 HD2 PRO 54 HD2 PRO 54 10.943 24.756 -4.627 955 HD3 PRO 54 HD1 PRO 54 10.475 24.750 -6.342 956 H GLU 55 HN GLU 55 14.044 23.768 -4.425 957 HA GLU 55 HA GLU 55 16.073 25.623 -3.558 958 HB2 GLU 55 HB2 GLU 55 15.055 23.122 -2.225 959 HB3 GLU 55 HB1 GLU 55 16.071 24.353 -1.486 960 HG2 GLU 55 HG2 GLU 55 13.268 24.754 -2.493 961 HG3 GLU 55 HG1 GLU 55 13.757 24.569 -0.810 962 H LYS 56 HN LYS 56 15.992 22.802 -5.360 963 HA LYS 56 HA LYS 56 18.650 21.947 -4.492 964 HB2 LYS 56 HB2 LYS 56 16.709 20.657 -6.404 965 HB3 LYS 56 HB1 LYS 56 18.302 20.018 -6.033 966 HG2 LYS 56 HG2 LYS 56 17.554 19.956 -3.613 967 HG3 LYS 56 HG1 LYS 56 15.926 20.269 -4.215 968 HD2 LYS 56 HD2 LYS 56 16.241 17.881 -3.903 969 HD3 LYS 56 HD1 LYS 56 16.085 18.241 -5.624 970 HE2 LYS 56 HE2 LYS 56 18.456 18.031 -5.947 971 HE3 LYS 56 HE1 LYS 56 18.730 17.925 -4.210 972 HZ1 LYS 56 HZ1 LYS 56 17.596 15.822 -4.174 973 HZ2 LYS 56 HZ2 LYS 56 18.857 15.765 -5.290 974 HZ3 LYS 56 HZ3 LYS 56 17.257 15.910 -5.829 975 H LYS 57 HN LYS 57 20.439 22.095 -5.686 976 HA LYS 57 HA LYS 57 20.646 24.090 -7.638 977 HB2 LYS 57 HB2 LYS 57 22.514 23.403 -6.215 978 HB3 LYS 57 HB1 LYS 57 22.553 21.834 -7.004 979 HG2 LYS 57 HG2 LYS 57 23.095 22.975 -9.141 980 HG3 LYS 57 HG1 LYS 57 23.179 24.501 -8.258 981 HD2 LYS 57 HD2 LYS 57 24.876 22.064 -7.712 982 HD3 LYS 57 HD1 LYS 57 25.401 23.496 -8.598 983 HE2 LYS 57 HE2 LYS 57 25.075 24.867 -6.620 984 HE3 LYS 57 HE1 LYS 57 24.455 23.475 -5.736 985 HZ1 LYS 57 HZ1 LYS 57 27.206 23.782 -6.798 986 HZ2 LYS 57 HZ2 LYS 57 26.617 22.414 -6.006 987 HZ3 LYS 57 HZ3 LYS 57 26.744 23.878 -5.172 988 H TRP 58 HN TRP 58 20.396 20.573 -7.901 989 HA TRP 58 HA TRP 58 20.938 20.352 -10.646 990 HB2 TRP 58 HB2 TRP 58 19.209 18.645 -8.847 991 HB3 TRP 58 HB1 TRP 58 19.581 18.226 -10.515 992 HD1 TRP 58 HD1 TRP 58 20.754 17.553 -7.140 993 HE1 TRP 58 HE1 TRP 58 23.146 16.610 -7.146 994 HE3 TRP 58 HE3 TRP 58 22.070 18.706 -11.943 995 HZ2 TRP 58 HZ2 TRP 58 25.306 16.381 -8.945 996 HZ3 TRP 58 HZ3 TRP 58 24.319 18.090 -12.726 997 HH2 TRP 58 HH2 TRP 58 25.901 16.953 -11.258 998 H VAL 59 HN VAL 59 18.008 21.031 -8.880 999 HA VAL 59 HA VAL 59 16.215 20.914 -11.052 1000 HB VAL 59 HB VAL 59 16.080 22.537 -8.490 1001 HG11 VAL 59 HG11 VAL 59 13.904 21.947 -10.491 1002 HG12 VAL 59 HG12 VAL 59 14.637 23.522 -10.187 1003 HG13 VAL 59 HG13 VAL 59 13.680 22.737 -8.930 1004 HG21 VAL 59 HG21 VAL 59 14.601 20.777 -7.700 1005 HG22 VAL 59 HG22 VAL 59 16.153 20.093 -8.191 1006 HG23 VAL 59 HG23 VAL 59 14.749 19.936 -9.242 1007 H GLN 60 HN GLN 60 18.234 23.425 -9.705 1008 HA GLN 60 HA GLN 60 17.304 25.550 -11.336 1009 HB2 GLN 60 HB2 GLN 60 20.019 25.262 -10.046 1010 HB3 GLN 60 HB1 GLN 60 19.254 26.757 -10.563 1011 HG2 GLN 60 HG2 GLN 60 18.282 24.963 -8.352 1012 HG3 GLN 60 HG1 GLN 60 19.181 26.459 -8.135 1013 HE21 GLN 60 HE21 GLN 60 16.138 25.033 -8.913 1014 HE22 GLN 60 HE22 GLN 60 15.210 26.491 -8.863 1015 H GLU 61 HN GLU 61 19.890 23.169 -11.601 1016 HA GLU 61 HA GLU 61 21.116 24.189 -13.892 1017 HB2 GLU 61 HB2 GLU 61 20.855 21.307 -13.050 1018 HB3 GLU 61 HB1 GLU 61 22.002 21.966 -14.210 1019 HG2 GLU 61 HG2 GLU 61 21.899 22.739 -11.312 1020 HG3 GLU 61 HG1 GLU 61 22.958 21.500 -11.975 1021 H TYR 62 HN TYR 62 18.562 21.818 -13.450 1022 HA TYR 62 HA TYR 62 18.282 21.350 -16.237 1023 HB2 TYR 62 HB2 TYR 62 16.566 20.639 -13.875 1024 HB3 TYR 62 HB1 TYR 62 16.047 20.298 -15.525 1025 HD1 TYR 62 HD1 TYR 62 18.573 19.522 -12.961 1026 HD2 TYR 62 HD2 TYR 62 17.063 18.552 -16.806 1027 HE1 TYR 62 HE1 TYR 62 19.930 17.474 -12.964 1028 HE2 TYR 62 HE2 TYR 62 18.413 16.501 -16.822 1029 HH TYR 62 HH TYR 62 19.925 15.259 -14.061 1030 H ILE 63 HN ILE 63 16.719 23.527 -13.983 1031 HA ILE 63 HA ILE 63 14.722 24.419 -15.778 1032 HB ILE 63 HB ILE 63 15.974 25.724 -13.360 1033 HG12 ILE 63 HG12 ILE 63 13.208 24.594 -13.848 1034 HG13 ILE 63 HG11 ILE 63 14.503 23.785 -12.973 1035 HG21 ILE 63 HG21 ILE 63 14.237 27.452 -13.478 1036 HG22 ILE 63 HG22 ILE 63 13.690 26.797 -15.020 1037 HG23 ILE 63 HG23 ILE 63 15.298 27.508 -14.886 1038 HD11 ILE 63 HD11 ILE 63 13.101 26.324 -12.171 1039 HD12 ILE 63 HD12 ILE 63 14.475 25.618 -11.320 1040 HD13 ILE 63 HD13 ILE 63 12.951 24.737 -11.413 1041 H ASN 64 HN ASN 64 17.956 25.645 -15.012 1042 HA ASN 64 HA ASN 64 17.780 27.837 -16.784 1043 HB2 ASN 64 HB2 ASN 64 19.730 28.487 -15.846 1044 HB3 ASN 64 HB1 ASN 64 19.500 27.107 -14.780 1045 HD21 ASN 64 HD21 ASN 64 20.808 25.432 -14.909 1046 HD22 ASN 64 HD22 ASN 64 22.218 25.344 -15.908 1047 H TYR 65 HN TYR 65 18.892 24.540 -17.162 1048 HA TYR 65 HA TYR 65 19.980 25.000 -19.770 1049 HB2 TYR 65 HB2 TYR 65 19.504 22.582 -18.100 1050 HB3 TYR 65 HB1 TYR 65 19.703 22.364 -19.837 1051 HD1 TYR 65 HD1 TYR 65 21.359 23.270 -16.715 1052 HD2 TYR 65 HD2 TYR 65 21.826 22.895 -20.919 1053 HE1 TYR 65 HE1 TYR 65 23.792 23.382 -16.447 1054 HE2 TYR 65 HE2 TYR 65 24.265 23.003 -20.664 1055 HH TYR 65 HH TYR 65 25.810 22.738 -17.633 1056 H LEU 66 HN LEU 66 16.862 23.917 -18.537 1057 HA LEU 66 HA LEU 66 15.934 23.283 -21.182 1058 HB2 LEU 66 HB2 LEU 66 14.458 23.506 -18.564 1059 HB3 LEU 66 HB1 LEU 66 13.687 23.075 -20.075 1060 HG LEU 66 HG LEU 66 15.861 21.510 -18.698 1061 HD11 LEU 66 HD11 LEU 66 13.753 21.461 -17.489 1062 HD12 LEU 66 HD12 LEU 66 14.084 19.901 -18.238 1063 HD13 LEU 66 HD13 LEU 66 12.905 20.993 -18.962 1064 HD21 LEU 66 HD21 LEU 66 15.938 21.263 -21.129 1065 HD22 LEU 66 HD22 LEU 66 14.216 20.878 -21.150 1066 HD23 LEU 66 HD23 LEU 66 15.356 19.786 -20.363 1067 H GLU 67 HN GLU 67 15.720 26.077 -19.047 1068 HA GLU 67 HA GLU 67 13.746 27.405 -20.588 1069 HB2 GLU 67 HB2 GLU 67 14.175 29.349 -19.285 1070 HB3 GLU 67 HB1 GLU 67 14.373 27.978 -18.206 1071 HG2 GLU 67 HG2 GLU 67 16.764 28.159 -18.340 1072 HG3 GLU 67 HG1 GLU 67 16.634 29.446 -19.534 1073 H MET 68 HN MET 68 17.236 27.202 -20.800 1074 HA MET 68 HA MET 68 17.401 29.276 -22.791 1075 HB2 MET 68 HB2 MET 68 19.750 28.701 -22.995 1076 HB3 MET 68 HB1 MET 68 19.321 28.805 -21.297 1077 HG2 MET 68 HG2 MET 68 19.241 26.377 -21.150 1078 HG3 MET 68 HG1 MET 68 19.613 26.254 -22.871 1079 HE1 MET 68 HE1 MET 68 21.799 28.654 -23.130 1080 HE2 MET 68 HE2 MET 68 21.936 27.085 -23.923 1081 HE3 MET 68 HE3 MET 68 23.278 27.709 -22.966 1082 H SER 69 HN SER 69 16.726 25.942 -22.721 1083 HA SER 69 HA SER 69 16.321 24.348 -24.249 1084 HB2 SER 69 HB2 SER 69 15.666 26.747 -25.950 1085 HB3 SER 69 HB1 SER 69 15.144 25.089 -26.266 1086 HG SER 69 HG SER 69 14.406 25.495 -23.833 Start of MODEL 11 1 H1 MET 1 HT1 MET 1 5.385 4.216 -19.141 2 HA MET 1 HA MET 1 7.297 3.516 -17.876 3 HB2 MET 1 HB2 MET 1 8.065 5.730 -17.181 4 HB3 MET 1 HB1 MET 1 7.183 5.834 -18.695 5 HG2 MET 1 HG2 MET 1 5.926 6.424 -16.028 6 HG3 MET 1 HG1 MET 1 6.738 7.647 -17.000 7 HE1 MET 1 HE1 MET 1 3.657 7.717 -15.946 8 HE2 MET 1 HE2 MET 1 2.863 8.404 -17.363 9 HE3 MET 1 HE3 MET 1 4.414 9.047 -16.822 10 H SER 2 HN SER 2 8.411 3.443 -15.866 11 HA SER 2 HA SER 2 6.759 2.539 -13.729 12 HB2 SER 2 HB2 SER 2 9.722 3.094 -13.615 13 HB3 SER 2 HB1 SER 2 8.795 1.945 -12.651 14 HG SER 2 HG SER 2 8.743 0.570 -14.284 15 HA PRO 3 HA PRO 3 6.501 6.532 -11.739 16 HB2 PRO 3 HB2 PRO 3 5.099 5.749 -9.562 17 HB3 PRO 3 HB1 PRO 3 4.350 5.923 -11.153 18 HG2 PRO 3 HG2 PRO 3 5.240 3.451 -9.739 19 HG3 PRO 3 HG1 PRO 3 3.806 3.712 -10.746 20 HD2 PRO 3 HD2 PRO 3 6.108 2.470 -11.604 21 HD3 PRO 3 HD1 PRO 3 4.947 3.276 -12.677 22 H TYR 4 HN TYR 4 8.606 6.942 -11.164 23 HA TYR 4 HA TYR 4 9.926 5.448 -9.092 24 HB2 TYR 4 HB2 TYR 4 10.777 7.928 -10.596 25 HB3 TYR 4 HB1 TYR 4 11.792 7.063 -9.445 26 HD1 TYR 4 HD1 TYR 4 10.678 7.248 -12.845 27 HD2 TYR 4 HD2 TYR 4 12.335 4.622 -9.940 28 HE1 TYR 4 HE1 TYR 4 11.412 5.733 -14.640 29 HE2 TYR 4 HE2 TYR 4 13.076 3.105 -11.721 30 HH TYR 4 HH TYR 4 12.611 2.560 -13.975 31 H GLY 5 HN GLY 5 7.802 8.040 -9.126 32 HA2 GLY 5 HA2 GLY 5 6.807 8.860 -7.160 33 HA3 GLY 5 HA1 GLY 5 8.253 8.404 -6.270 34 H SER 6 HN SER 6 7.440 10.721 -5.576 35 HA SER 6 HA SER 6 8.049 12.876 -5.283 36 HB2 SER 6 HB2 SER 6 10.369 11.834 -5.565 37 HB3 SER 6 HB1 SER 6 10.319 12.415 -7.226 38 HG SER 6 HG SER 6 10.066 14.531 -6.406 39 H ASP 7 HN ASP 7 6.229 12.064 -7.395 40 HA ASP 7 HA ASP 7 6.656 14.242 -9.303 41 HB2 ASP 7 HB2 ASP 7 4.875 13.029 -10.692 42 HB3 ASP 7 HB1 ASP 7 6.481 12.326 -10.614 43 H THR 8 HN THR 8 4.362 14.820 -10.315 44 HA THR 8 HA THR 8 3.307 16.701 -8.600 45 HB THR 8 HB THR 8 1.432 15.876 -10.670 46 HG1 THR 8 HG1 THR 8 4.143 16.439 -11.397 47 HG21 THR 8 HG21 THR 8 1.533 18.139 -9.756 48 HG22 THR 8 HG22 THR 8 1.926 18.146 -11.481 49 HG23 THR 8 HG23 THR 8 3.212 18.282 -10.286 50 H THR 9 HN THR 9 1.771 16.743 -7.073 51 HA THR 9 HA THR 9 0.132 14.326 -6.730 52 HB THR 9 HB THR 9 1.036 16.282 -4.605 53 HG1 THR 9 HG1 THR 9 2.680 14.852 -5.642 54 HG21 THR 9 HG21 THR 9 -0.292 13.572 -4.380 55 HG22 THR 9 HG22 THR 9 -1.067 15.126 -4.070 56 HG23 THR 9 HG23 THR 9 0.251 14.576 -3.037 57 HA PRO 10 HA PRO 10 -3.266 17.177 -7.292 58 HB2 PRO 10 HB2 PRO 10 -5.137 15.074 -6.755 59 HB3 PRO 10 HB1 PRO 10 -4.660 15.735 -8.320 60 HG2 PRO 10 HG2 PRO 10 -4.081 13.172 -7.424 61 HG3 PRO 10 HG1 PRO 10 -3.255 14.011 -8.747 62 HD2 PRO 10 HD2 PRO 10 -2.405 13.610 -5.923 63 HD3 PRO 10 HD1 PRO 10 -1.435 13.690 -7.409 64 H CYS 11 HN CYS 11 -3.633 18.553 -5.664 65 HA CYS 11 HA CYS 11 -4.877 17.512 -3.220 66 HB2 CYS 11 HB2 CYS 11 -2.440 17.947 -2.803 67 HB3 CYS 11 HB1 CYS 11 -2.702 19.626 -3.252 68 H CYS 12 HN CYS 12 -5.916 19.404 -1.964 69 HA CYS 12 HA CYS 12 -6.498 21.797 -3.329 70 HB2 CYS 12 HB2 CYS 12 -7.643 20.137 -4.803 71 HB3 CYS 12 HB1 CYS 12 -8.678 19.719 -3.446 72 H PHE 13 HN PHE 13 -7.906 23.137 -2.191 73 HA PHE 13 HA PHE 13 -9.233 22.207 0.204 74 HB2 PHE 13 HB2 PHE 13 -7.021 22.707 1.091 75 HB3 PHE 13 HB1 PHE 13 -7.013 24.279 0.297 76 HD1 PHE 13 HD1 PHE 13 -8.607 22.279 2.964 77 HD2 PHE 13 HD2 PHE 13 -7.995 26.164 1.344 78 HE1 PHE 13 HE1 PHE 13 -9.583 23.272 4.987 79 HE2 PHE 13 HE2 PHE 13 -8.971 27.165 3.365 80 HZ PHE 13 HZ PHE 13 -9.766 25.720 5.192 81 H ALA 14 HN ALA 14 -11.178 22.868 -0.544 82 HA ALA 14 HA ALA 14 -11.644 25.704 -0.683 83 HB1 ALA 14 HB1 ALA 14 -10.961 25.206 -2.982 84 HB2 ALA 14 HB2 ALA 14 -12.666 25.651 -2.901 85 HB3 ALA 14 HB3 ALA 14 -12.204 23.959 -3.080 86 H TYR 15 HN TYR 15 -14.021 26.089 -1.098 87 HA TYR 15 HA TYR 15 -15.733 23.869 -0.361 88 HB2 TYR 15 HB2 TYR 15 -16.770 25.174 1.497 89 HB3 TYR 15 HB1 TYR 15 -15.108 24.696 1.824 90 HD1 TYR 15 HD1 TYR 15 -17.285 27.541 0.905 91 HD2 TYR 15 HD2 TYR 15 -13.409 26.325 2.175 92 HE1 TYR 15 HE1 TYR 15 -16.705 29.889 1.380 93 HE2 TYR 15 HE2 TYR 15 -12.821 28.661 2.648 94 HH TYR 15 HH TYR 15 -13.493 30.877 1.996 95 H LEU 16 HN LEU 16 -18.022 24.456 -0.545 96 HA LEU 16 HA LEU 16 -18.523 26.859 -2.101 97 HB2 LEU 16 HB2 LEU 16 -18.612 24.127 -3.097 98 HB3 LEU 16 HB1 LEU 16 -20.107 25.007 -3.331 99 HG LEU 16 HG LEU 16 -17.468 26.128 -4.183 100 HD11 LEU 16 HD11 LEU 16 -19.381 24.442 -5.807 101 HD12 LEU 16 HD12 LEU 16 -17.757 23.967 -5.307 102 HD13 LEU 16 HD13 LEU 16 -17.976 25.295 -6.448 103 HD21 LEU 16 HD21 LEU 16 -18.887 27.432 -5.713 104 HD22 LEU 16 HD22 LEU 16 -19.268 27.715 -4.016 105 HD23 LEU 16 HD23 LEU 16 -20.314 26.684 -4.993 106 H SER 17 HN SER 17 -20.417 27.715 -1.837 107 HA SER 17 HA SER 17 -22.176 26.491 0.157 108 HB2 SER 17 HB2 SER 17 -22.120 29.309 -0.942 109 HB3 SER 17 HB1 SER 17 -23.158 28.736 0.367 110 HG SER 17 HG SER 17 -20.809 29.760 0.632 111 H LEU 18 HN LEU 18 -21.990 27.570 -3.143 112 HA LEU 18 HA LEU 18 -24.785 26.951 -3.639 113 HB2 LEU 18 HB2 LEU 18 -22.629 27.791 -5.583 114 HB3 LEU 18 HB1 LEU 18 -24.346 27.702 -5.917 115 HG LEU 18 HG LEU 18 -23.008 29.639 -4.027 116 HD11 LEU 18 HD11 LEU 18 -23.692 31.325 -5.665 117 HD12 LEU 18 HD12 LEU 18 -24.288 30.046 -6.722 118 HD13 LEU 18 HD13 LEU 18 -22.568 30.154 -6.352 119 HD21 LEU 18 HD21 LEU 18 -25.904 29.360 -4.821 120 HD22 LEU 18 HD22 LEU 18 -25.226 30.689 -3.881 121 HD23 LEU 18 HD23 LEU 18 -25.223 29.053 -3.223 122 H ALA 19 HN ALA 19 -24.683 24.747 -3.121 123 HA ALA 19 HA ALA 19 -22.886 23.007 -4.537 124 HB1 ALA 19 HB1 ALA 19 -23.968 21.212 -3.302 125 HB2 ALA 19 HB2 ALA 19 -25.209 22.330 -2.737 126 HB3 ALA 19 HB3 ALA 19 -23.535 22.537 -2.222 127 H LEU 20 HN LEU 20 -23.316 21.733 -6.231 128 HA LEU 20 HA LEU 20 -25.600 22.290 -7.839 129 HB2 LEU 20 HB2 LEU 20 -24.641 20.395 -9.265 130 HB3 LEU 20 HB1 LEU 20 -23.652 21.827 -9.070 131 HG LEU 20 HG LEU 20 -22.488 20.464 -7.175 132 HD11 LEU 20 HD11 LEU 20 -24.070 18.621 -7.089 133 HD12 LEU 20 HD12 LEU 20 -22.462 18.054 -7.540 134 HD13 LEU 20 HD13 LEU 20 -23.715 18.224 -8.770 135 HD21 LEU 20 HD21 LEU 20 -20.938 19.502 -8.801 136 HD22 LEU 20 HD22 LEU 20 -21.408 21.145 -9.237 137 HD23 LEU 20 HD23 LEU 20 -22.120 19.770 -10.082 138 HA PRO 21 HA PRO 21 -28.596 19.463 -6.332 139 HB2 PRO 21 HB2 PRO 21 -29.335 18.298 -8.793 140 HB3 PRO 21 HB1 PRO 21 -30.084 19.696 -8.020 141 HG2 PRO 21 HG2 PRO 21 -28.060 19.587 -10.187 142 HG3 PRO 21 HG1 PRO 21 -29.347 20.773 -9.905 143 HD2 PRO 21 HD2 PRO 21 -26.774 21.330 -9.396 144 HD3 PRO 21 HD1 PRO 21 -28.082 21.958 -8.373 145 H ARG 22 HN ARG 22 -28.831 17.361 -5.752 146 HA ARG 22 HA ARG 22 -26.559 15.730 -5.672 147 HB2 ARG 22 HB2 ARG 22 -29.419 14.841 -5.259 148 HB3 ARG 22 HB1 ARG 22 -27.977 14.052 -4.639 149 HG2 ARG 22 HG2 ARG 22 -27.508 16.046 -3.267 150 HG3 ARG 22 HG1 ARG 22 -29.003 16.773 -3.852 151 HD2 ARG 22 HD2 ARG 22 -28.754 14.225 -2.257 152 HD3 ARG 22 HD1 ARG 22 -29.330 15.780 -1.660 153 HE ARG 22 HE ARG 22 -30.800 14.674 -3.902 154 HH11 ARG 22 HH11 ARG 22 -30.610 15.012 -0.403 155 HH12 ARG 22 HH12 ARG 22 -32.268 14.594 -0.155 156 HH21 ARG 22 HH21 ARG 22 -32.982 14.131 -3.560 157 HH22 ARG 22 HH22 ARG 22 -33.626 14.104 -1.955 158 H ALA 23 HN ALA 23 -29.192 15.832 -7.924 159 HA ALA 23 HA ALA 23 -28.733 13.294 -9.138 160 HB1 ALA 23 HB1 ALA 23 -30.890 14.456 -9.235 161 HB2 ALA 23 HB2 ALA 23 -30.280 14.056 -10.842 162 HB3 ALA 23 HB3 ALA 23 -30.154 15.708 -10.236 163 H HIS 24 HN HIS 24 -26.978 16.160 -9.245 164 HA HIS 24 HA HIS 24 -26.002 15.713 -11.965 165 HB2 HIS 24 HB2 HIS 24 -25.840 18.017 -10.059 166 HB3 HIS 24 HB1 HIS 24 -24.812 17.923 -11.481 167 HD1 HIS 24 HD1 HIS 24 -25.822 19.720 -12.935 168 HD2 HIS 24 HD2 HIS 24 -28.688 17.133 -11.396 169 HE1 HIS 24 HE1 HIS 24 -27.981 20.380 -14.027 170 H VAL 25 HN VAL 25 -25.210 14.958 -8.787 171 HA VAL 25 HA VAL 25 -22.372 14.770 -9.443 172 HB VAL 25 HB VAL 25 -23.242 15.688 -7.171 173 HG11 VAL 25 HG11 VAL 25 -23.528 14.005 -5.408 174 HG12 VAL 25 HG12 VAL 25 -23.504 12.737 -6.631 175 HG13 VAL 25 HG13 VAL 25 -24.807 13.929 -6.623 176 HG21 VAL 25 HG21 VAL 25 -21.299 14.800 -5.985 177 HG22 VAL 25 HG22 VAL 25 -20.898 15.264 -7.639 178 HG23 VAL 25 HG23 VAL 25 -21.109 13.562 -7.225 179 H LYS 26 HN LYS 26 -21.256 12.736 -9.135 180 HA LYS 26 HA LYS 26 -23.035 10.457 -9.629 181 HB2 LYS 26 HB2 LYS 26 -21.514 11.096 -11.503 182 HB3 LYS 26 HB1 LYS 26 -20.141 10.779 -10.456 183 HG2 LYS 26 HG2 LYS 26 -20.481 8.482 -10.488 184 HG3 LYS 26 HG1 LYS 26 -22.167 8.643 -10.983 185 HD2 LYS 26 HD2 LYS 26 -20.794 7.826 -12.833 186 HD3 LYS 26 HD1 LYS 26 -21.449 9.421 -13.194 187 HE2 LYS 26 HE2 LYS 26 -19.150 9.335 -13.905 188 HE3 LYS 26 HE1 LYS 26 -19.274 10.412 -12.517 189 HZ1 LYS 26 HZ1 LYS 26 -18.397 8.715 -11.110 190 HZ2 LYS 26 HZ2 LYS 26 -17.359 8.885 -12.436 191 HZ3 LYS 26 HZ3 LYS 26 -18.421 7.575 -12.360 192 H GLU 27 HN GLU 27 -20.190 11.567 -7.840 193 HA GLU 27 HA GLU 27 -20.811 9.958 -5.605 194 HB2 GLU 27 HB2 GLU 27 -19.048 8.353 -5.612 195 HB3 GLU 27 HB1 GLU 27 -19.864 8.225 -7.164 196 HG2 GLU 27 HG2 GLU 27 -17.742 10.086 -7.412 197 HG3 GLU 27 HG1 GLU 27 -17.127 8.620 -6.650 198 H TYR 28 HN TYR 28 -18.716 9.889 -4.094 199 HA TYR 28 HA TYR 28 -17.310 12.448 -4.384 200 HB2 TYR 28 HB2 TYR 28 -17.535 12.963 -2.086 201 HB3 TYR 28 HB1 TYR 28 -19.136 12.418 -2.563 202 HD1 TYR 28 HD1 TYR 28 -16.164 11.679 -0.554 203 HD2 TYR 28 HD2 TYR 28 -20.009 10.263 -1.704 204 HE1 TYR 28 HE1 TYR 28 -16.114 10.054 1.286 205 HE2 TYR 28 HE2 TYR 28 -19.966 8.632 0.133 206 HH TYR 28 HH TYR 28 -17.677 8.774 2.644 207 H PHE 29 HN PHE 29 -15.212 12.493 -3.346 208 HA PHE 29 HA PHE 29 -14.047 9.913 -2.664 209 HB2 PHE 29 HB2 PHE 29 -13.867 10.346 -5.200 210 HB3 PHE 29 HB1 PHE 29 -12.765 11.651 -4.785 211 HD1 PHE 29 HD1 PHE 29 -13.252 8.042 -3.946 212 HD2 PHE 29 HD2 PHE 29 -10.528 11.161 -4.922 213 HE1 PHE 29 HE1 PHE 29 -11.399 6.429 -3.910 214 HE2 PHE 29 HE2 PHE 29 -8.667 9.551 -4.884 215 HZ PHE 29 HZ PHE 29 -9.103 7.182 -4.377 216 H TYR 30 HN TYR 30 -11.623 10.382 -2.040 217 HA TYR 30 HA TYR 30 -11.646 12.873 -0.468 218 HB2 TYR 30 HB2 TYR 30 -10.107 10.312 0.019 219 HB3 TYR 30 HB1 TYR 30 -10.043 11.748 1.030 220 HD1 TYR 30 HD1 TYR 30 -12.098 8.883 -0.005 221 HD2 TYR 30 HD2 TYR 30 -11.826 12.253 2.579 222 HE1 TYR 30 HE1 TYR 30 -13.959 7.999 1.332 223 HE2 TYR 30 HE2 TYR 30 -13.692 11.377 3.923 224 HH TYR 30 HH TYR 30 -15.591 9.841 3.681 225 H THR 31 HN THR 31 -9.614 14.011 -0.223 226 HA THR 31 HA THR 31 -8.134 14.178 -2.642 227 HB THR 31 HB THR 31 -6.644 15.721 -1.207 228 HG1 THR 31 HG1 THR 31 -7.068 15.665 0.855 229 HG21 THR 31 HG21 THR 31 -8.376 16.531 -2.755 230 HG22 THR 31 HG22 THR 31 -8.291 17.529 -1.306 231 HG23 THR 31 HG23 THR 31 -9.590 16.348 -1.489 232 H SER 32 HN SER 32 -5.614 14.252 -2.452 233 HA SER 32 HA SER 32 -4.749 11.619 -2.028 234 HB2 SER 32 HB2 SER 32 -3.095 14.130 -2.331 235 HB3 SER 32 HB1 SER 32 -2.523 12.477 -2.553 236 HG SER 32 HG SER 32 -3.940 14.090 -4.242 237 H SER 33 HN SER 33 -3.255 10.778 -0.518 238 HA SER 33 HA SER 33 -3.736 11.508 2.156 239 HB2 SER 33 HB2 SER 33 -1.479 9.790 1.107 240 HB3 SER 33 HB1 SER 33 -2.201 9.740 2.718 241 HG SER 33 HG SER 33 -4.078 8.927 1.849 242 H LYS 34 HN LYS 34 -1.449 12.617 -0.146 243 HA LYS 34 HA LYS 34 0.506 13.537 1.752 244 HB2 LYS 34 HB2 LYS 34 0.161 14.077 -1.190 245 HB3 LYS 34 HB1 LYS 34 1.522 14.648 -0.236 246 HG2 LYS 34 HG2 LYS 34 0.801 11.746 -0.565 247 HG3 LYS 34 HG1 LYS 34 1.966 12.596 -1.580 248 HD2 LYS 34 HD2 LYS 34 3.333 13.082 0.375 249 HD3 LYS 34 HD1 LYS 34 2.147 12.295 1.417 250 HE2 LYS 34 HE2 LYS 34 4.008 10.800 0.983 251 HE3 LYS 34 HE1 LYS 34 2.537 10.177 0.241 252 HZ1 LYS 34 HZ1 LYS 34 4.440 9.979 -1.225 253 HZ2 LYS 34 HZ2 LYS 34 4.693 11.649 -1.174 254 HZ3 LYS 34 HZ3 LYS 34 3.293 11.028 -1.890 255 H CYS 35 HN CYS 35 -2.508 14.679 0.800 256 HA CYS 35 HA CYS 35 -1.974 17.467 0.759 257 HB2 CYS 35 HB2 CYS 35 -4.555 15.983 1.293 258 HB3 CYS 35 HB1 CYS 35 -4.426 17.715 1.003 259 H SER 36 HN SER 36 -1.805 18.893 2.359 260 HA SER 36 HA SER 36 -1.460 17.976 5.027 261 HB2 SER 36 HB2 SER 36 -1.602 20.816 4.000 262 HB3 SER 36 HB1 SER 36 -0.910 20.286 5.534 263 HG SER 36 HG SER 36 0.648 19.125 4.363 264 H ASN 37 HN ASN 37 -4.201 18.864 3.299 265 HA ASN 37 HA ASN 37 -5.695 19.289 5.793 266 HB2 ASN 37 HB2 ASN 37 -7.177 20.846 4.658 267 HB3 ASN 37 HB1 ASN 37 -5.517 21.412 4.504 268 HD21 ASN 37 HD21 ASN 37 -8.289 20.143 2.842 269 HD22 ASN 37 HD22 ASN 37 -7.691 20.393 1.233 270 H LEU 38 HN LEU 38 -7.917 18.579 5.697 271 HA LEU 38 HA LEU 38 -8.194 16.261 3.957 272 HB2 LEU 38 HB2 LEU 38 -8.532 15.913 6.352 273 HB3 LEU 38 HB1 LEU 38 -9.793 17.127 6.366 274 HG LEU 38 HG LEU 38 -11.166 15.699 4.889 275 HD11 LEU 38 HD11 LEU 38 -8.944 13.697 5.255 276 HD12 LEU 38 HD12 LEU 38 -9.415 14.479 3.746 277 HD13 LEU 38 HD13 LEU 38 -10.519 13.358 4.539 278 HD21 LEU 38 HD21 LEU 38 -11.451 15.594 7.304 279 HD22 LEU 38 HD22 LEU 38 -10.208 14.345 7.404 280 HD23 LEU 38 HD23 LEU 38 -11.725 14.017 6.564 281 H ALA 39 HN ALA 39 -9.470 16.295 2.256 282 HA ALA 39 HA ALA 39 -11.798 18.010 2.192 283 HB1 ALA 39 HB1 ALA 39 -10.049 19.470 1.313 284 HB2 ALA 39 HB2 ALA 39 -11.183 19.021 0.040 285 HB3 ALA 39 HB3 ALA 39 -9.604 18.242 0.129 286 H VAL 40 HN VAL 40 -13.240 17.437 0.469 287 HA VAL 40 HA VAL 40 -12.665 14.769 -0.591 288 HB VAL 40 HB VAL 40 -15.062 14.325 -0.665 289 HG11 VAL 40 HG11 VAL 40 -15.509 14.162 1.738 290 HG12 VAL 40 HG12 VAL 40 -14.150 15.245 2.052 291 HG13 VAL 40 HG13 VAL 40 -13.868 13.662 1.325 292 HG21 VAL 40 HG21 VAL 40 -16.669 15.844 0.402 293 HG22 VAL 40 HG22 VAL 40 -15.888 16.571 -1.000 294 HG23 VAL 40 HG23 VAL 40 -15.381 17.028 0.627 295 H VAL 41 HN VAL 41 -13.658 14.324 -2.651 296 HA VAL 41 HA VAL 41 -13.944 16.730 -4.303 297 HB VAL 41 HB VAL 41 -12.481 14.224 -5.157 298 HG11 VAL 41 HG11 VAL 41 -12.807 16.919 -6.450 299 HG12 VAL 41 HG12 VAL 41 -13.512 15.392 -6.981 300 HG13 VAL 41 HG13 VAL 41 -11.763 15.628 -7.043 301 HG21 VAL 41 HG21 VAL 41 -10.419 15.543 -5.016 302 HG22 VAL 41 HG22 VAL 41 -11.188 15.378 -3.437 303 HG23 VAL 41 HG23 VAL 41 -11.328 16.891 -4.332 304 H PHE 42 HN PHE 42 -15.831 16.734 -5.268 305 HA PHE 42 HA PHE 42 -17.366 14.272 -5.449 306 HB2 PHE 42 HB2 PHE 42 -18.072 17.159 -5.911 307 HB3 PHE 42 HB1 PHE 42 -19.190 15.841 -6.223 308 HD1 PHE 42 HD1 PHE 42 -17.503 17.821 -3.691 309 HD2 PHE 42 HD2 PHE 42 -20.111 14.537 -4.386 310 HE1 PHE 42 HE1 PHE 42 -18.175 17.853 -1.324 311 HE2 PHE 42 HE2 PHE 42 -20.796 14.567 -2.028 312 HZ PHE 42 HZ PHE 42 -19.833 16.224 -0.493 313 H VAL 43 HN VAL 43 -17.733 13.202 -7.230 314 HA VAL 43 HA VAL 43 -16.610 14.236 -9.723 315 HB VAL 43 HB VAL 43 -17.658 11.462 -9.099 316 HG11 VAL 43 HG11 VAL 43 -17.700 12.037 -11.475 317 HG12 VAL 43 HG12 VAL 43 -16.501 10.792 -11.126 318 HG13 VAL 43 HG13 VAL 43 -15.987 12.461 -11.401 319 HG21 VAL 43 HG21 VAL 43 -15.716 11.982 -7.718 320 HG22 VAL 43 HG22 VAL 43 -14.811 12.459 -9.154 321 HG23 VAL 43 HG23 VAL 43 -15.312 10.781 -8.944 322 H THR 44 HN THR 44 -18.010 15.294 -10.971 323 HA THR 44 HA THR 44 -20.844 15.001 -10.569 324 HB THR 44 HB THR 44 -21.072 16.744 -12.298 325 HG1 THR 44 HG1 THR 44 -18.319 17.137 -12.426 326 HG21 THR 44 HG21 THR 44 -19.900 18.534 -11.112 327 HG22 THR 44 HG22 THR 44 -18.898 17.339 -10.289 328 HG23 THR 44 HG23 THR 44 -20.633 17.404 -9.971 329 H ARG 45 HN ARG 45 -22.285 14.837 -12.547 330 HA ARG 45 HA ARG 45 -21.806 12.380 -13.892 331 HB2 ARG 45 HB2 ARG 45 -23.821 14.550 -14.522 332 HB3 ARG 45 HB1 ARG 45 -23.853 12.916 -15.165 333 HG2 ARG 45 HG2 ARG 45 -24.084 13.607 -12.246 334 HG3 ARG 45 HG1 ARG 45 -25.447 13.290 -13.319 335 HD2 ARG 45 HD2 ARG 45 -24.629 11.044 -13.726 336 HD3 ARG 45 HD1 ARG 45 -23.213 11.355 -12.724 337 HE ARG 45 HE ARG 45 -24.806 11.639 -10.837 338 HH11 ARG 45 HH11 ARG 45 -25.755 9.745 -13.646 339 HH12 ARG 45 HH12 ARG 45 -26.890 8.783 -12.767 340 HH21 ARG 45 HH21 ARG 45 -26.316 10.353 -9.681 341 HH22 ARG 45 HH22 ARG 45 -27.209 9.126 -10.517 342 H ARG 46 HN ARG 46 -20.811 15.549 -14.466 343 HA ARG 46 HA ARG 46 -20.404 15.189 -17.319 344 HB2 ARG 46 HB2 ARG 46 -19.930 17.491 -15.430 345 HB3 ARG 46 HB1 ARG 46 -19.290 17.498 -17.063 346 HG2 ARG 46 HG2 ARG 46 -21.306 18.742 -17.080 347 HG3 ARG 46 HG1 ARG 46 -21.630 17.215 -17.895 348 HD2 ARG 46 HD2 ARG 46 -22.667 16.347 -15.854 349 HD3 ARG 46 HD1 ARG 46 -22.326 17.869 -15.032 350 HE ARG 46 HE ARG 46 -23.735 18.619 -17.223 351 HH11 ARG 46 HH11 ARG 46 -24.358 16.355 -14.626 352 HH12 ARG 46 HH12 ARG 46 -26.074 16.536 -14.701 353 HH21 ARG 46 HH21 ARG 46 -26.000 18.874 -17.318 354 HH22 ARG 46 HH22 ARG 46 -27.013 17.983 -16.237 355 H ASN 47 HN ASN 47 -18.971 13.935 -14.778 356 HA ASN 47 HA ASN 47 -16.944 13.009 -14.349 357 HB2 ASN 47 HB2 ASN 47 -16.440 13.731 -17.240 358 HB3 ASN 47 HB1 ASN 47 -15.376 12.716 -16.268 359 HD21 ASN 47 HD21 ASN 47 -17.466 12.502 -18.609 360 HD22 ASN 47 HD22 ASN 47 -18.247 11.003 -18.251 361 H ARG 48 HN ARG 48 -17.478 15.872 -13.999 362 HA ARG 48 HA ARG 48 -14.732 16.922 -14.097 363 HB2 ARG 48 HB2 ARG 48 -16.687 18.186 -15.223 364 HB3 ARG 48 HB1 ARG 48 -17.242 18.535 -13.595 365 HG2 ARG 48 HG2 ARG 48 -14.478 19.266 -14.517 366 HG3 ARG 48 HG1 ARG 48 -15.864 20.315 -14.797 367 HD2 ARG 48 HD2 ARG 48 -16.263 20.478 -12.414 368 HD3 ARG 48 HD1 ARG 48 -14.967 19.328 -12.090 369 HE ARG 48 HE ARG 48 -13.832 21.383 -13.551 370 HH11 ARG 48 HH11 ARG 48 -15.395 21.057 -10.421 371 HH12 ARG 48 HH12 ARG 48 -14.497 22.338 -9.686 372 HH21 ARG 48 HH21 ARG 48 -12.641 23.084 -12.584 373 HH22 ARG 48 HH22 ARG 48 -12.912 23.488 -10.927 374 H GLN 49 HN GLN 49 -13.699 16.776 -12.229 375 HA GLN 49 HA GLN 49 -15.180 16.154 -9.834 376 HB2 GLN 49 HB2 GLN 49 -12.192 16.454 -10.172 377 HB3 GLN 49 HB1 GLN 49 -13.043 15.723 -8.825 378 HG2 GLN 49 HG2 GLN 49 -13.932 14.002 -10.380 379 HG3 GLN 49 HG1 GLN 49 -12.900 14.680 -11.637 380 HE21 GLN 49 HE21 GLN 49 -11.995 14.488 -8.284 381 HE22 GLN 49 HE22 GLN 49 -10.754 13.298 -8.482 382 H VAL 50 HN VAL 50 -15.289 17.347 -7.990 383 HA VAL 50 HA VAL 50 -14.210 20.081 -8.071 384 HB VAL 50 HB VAL 50 -16.604 20.119 -8.714 385 HG11 VAL 50 HG11 VAL 50 -17.094 18.946 -6.019 386 HG12 VAL 50 HG12 VAL 50 -17.300 18.130 -7.568 387 HG13 VAL 50 HG13 VAL 50 -18.332 19.507 -7.149 388 HG21 VAL 50 HG21 VAL 50 -16.078 21.285 -5.983 389 HG22 VAL 50 HG22 VAL 50 -17.363 21.785 -7.083 390 HG23 VAL 50 HG23 VAL 50 -15.674 22.039 -7.525 391 H CYS 51 HN CYS 51 -13.233 20.671 -6.217 392 HA CYS 51 HA CYS 51 -13.228 18.775 -4.010 393 HB2 CYS 51 HB2 CYS 51 -11.733 21.364 -4.308 394 HB3 CYS 51 HB1 CYS 51 -11.467 20.147 -3.065 395 H ALA 52 HN ALA 52 -13.846 19.148 -1.938 396 HA ALA 52 HA ALA 52 -14.837 21.718 -1.097 397 HB1 ALA 52 HB1 ALA 52 -17.065 20.912 -0.492 398 HB2 ALA 52 HB2 ALA 52 -16.703 19.347 -1.219 399 HB3 ALA 52 HB3 ALA 52 -16.804 20.787 -2.232 400 H ASN 53 HN ASN 53 -14.825 21.903 1.132 401 HA ASN 53 HA ASN 53 -13.358 19.878 2.546 402 HB2 ASN 53 HB2 ASN 53 -14.556 22.497 3.490 403 HB3 ASN 53 HB1 ASN 53 -13.573 21.436 4.491 404 HD21 ASN 53 HD21 ASN 53 -11.688 20.699 2.454 405 HD22 ASN 53 HD22 ASN 53 -10.724 22.096 2.144 406 HA PRO 54 HA PRO 54 -16.836 17.575 3.958 407 HB2 PRO 54 HB2 PRO 54 -15.725 16.264 6.026 408 HB3 PRO 54 HB1 PRO 54 -15.274 15.921 4.350 409 HG2 PRO 54 HG2 PRO 54 -13.896 17.684 6.348 410 HG3 PRO 54 HG1 PRO 54 -13.191 16.422 5.315 411 HD2 PRO 54 HD2 PRO 54 -13.048 19.018 4.651 412 HD3 PRO 54 HD1 PRO 54 -13.282 17.756 3.421 413 H GLU 55 HN GLU 55 -15.757 20.239 5.557 414 HA GLU 55 HA GLU 55 -17.368 19.752 7.935 415 HB2 GLU 55 HB2 GLU 55 -15.507 22.036 7.290 416 HB3 GLU 55 HB1 GLU 55 -16.366 21.817 8.810 417 HG2 GLU 55 HG2 GLU 55 -15.194 19.623 9.056 418 HG3 GLU 55 HG1 GLU 55 -14.219 20.062 7.657 419 H LYS 56 HN LYS 56 -18.179 20.497 5.029 420 HA LYS 56 HA LYS 56 -19.933 22.735 5.740 421 HB2 LYS 56 HB2 LYS 56 -19.204 21.560 3.056 422 HB3 LYS 56 HB1 LYS 56 -20.446 22.785 3.270 423 HG2 LYS 56 HG2 LYS 56 -17.524 23.091 3.940 424 HG3 LYS 56 HG1 LYS 56 -18.350 23.767 2.534 425 HD2 LYS 56 HD2 LYS 56 -19.772 25.108 4.001 426 HD3 LYS 56 HD1 LYS 56 -18.983 24.414 5.417 427 HE2 LYS 56 HE2 LYS 56 -16.842 25.361 4.647 428 HE3 LYS 56 HE1 LYS 56 -17.683 26.111 3.294 429 HZ1 LYS 56 HZ1 LYS 56 -19.011 27.372 4.863 430 HZ2 LYS 56 HZ2 LYS 56 -17.371 27.672 5.108 431 HZ3 LYS 56 HZ3 LYS 56 -18.206 26.656 6.166 432 H LYS 57 HN LYS 57 -22.128 22.575 5.623 433 HA LYS 57 HA LYS 57 -23.250 20.132 6.396 434 HB2 LYS 57 HB2 LYS 57 -24.172 22.368 6.952 435 HB3 LYS 57 HB1 LYS 57 -24.679 22.551 5.281 436 HG2 LYS 57 HG2 LYS 57 -26.571 21.910 6.596 437 HG3 LYS 57 HG1 LYS 57 -26.128 20.555 5.554 438 HD2 LYS 57 HD2 LYS 57 -24.966 19.491 7.417 439 HD3 LYS 57 HD1 LYS 57 -25.366 20.858 8.458 440 HE2 LYS 57 HE2 LYS 57 -27.766 20.367 8.105 441 HE3 LYS 57 HE1 LYS 57 -27.308 18.952 7.159 442 HZ1 LYS 57 HZ1 LYS 57 -26.179 18.080 9.129 443 HZ2 LYS 57 HZ2 LYS 57 -27.823 18.321 9.410 444 HZ3 LYS 57 HZ3 LYS 57 -26.695 19.413 10.028 445 H TRP 58 HN TRP 58 -23.292 21.802 3.286 446 HA TRP 58 HA TRP 58 -25.114 20.087 1.987 447 HB2 TRP 58 HB2 TRP 58 -22.856 21.646 0.708 448 HB3 TRP 58 HB1 TRP 58 -24.301 21.043 -0.095 449 HD1 TRP 58 HD1 TRP 58 -22.962 24.117 1.287 450 HE1 TRP 58 HE1 TRP 58 -24.813 25.835 1.759 451 HE3 TRP 58 HE3 TRP 58 -27.026 21.027 0.981 452 HZ2 TRP 58 HZ2 TRP 58 -27.630 25.876 1.974 453 HZ3 TRP 58 HZ3 TRP 58 -29.264 21.987 1.334 454 HH2 TRP 58 HH2 TRP 58 -29.557 24.362 1.821 455 H VAL 59 HN VAL 59 -21.661 20.015 2.394 456 HA VAL 59 HA VAL 59 -21.107 17.928 0.585 457 HB VAL 59 HB VAL 59 -19.592 18.843 3.046 458 HG11 VAL 59 HG11 VAL 59 -17.649 17.717 2.092 459 HG12 VAL 59 HG12 VAL 59 -18.643 17.103 0.777 460 HG13 VAL 59 HG13 VAL 59 -18.946 16.571 2.431 461 HG21 VAL 59 HG21 VAL 59 -19.865 20.574 1.344 462 HG22 VAL 59 HG22 VAL 59 -19.185 19.491 0.130 463 HG23 VAL 59 HG23 VAL 59 -18.184 20.055 1.467 464 H GLN 60 HN GLN 60 -21.806 18.036 4.010 465 HA GLN 60 HA GLN 60 -21.440 15.281 4.518 466 HB2 GLN 60 HB2 GLN 60 -23.095 17.349 5.967 467 HB3 GLN 60 HB1 GLN 60 -22.734 15.744 6.588 468 HG2 GLN 60 HG2 GLN 60 -20.602 17.714 5.847 469 HG3 GLN 60 HG1 GLN 60 -21.319 17.646 7.453 470 HE21 GLN 60 HE21 GLN 60 -19.323 16.007 5.136 471 HE22 GLN 60 HE22 GLN 60 -18.654 14.848 6.229 472 H GLU 61 HN GLU 61 -24.229 17.246 3.686 473 HA GLU 61 HA GLU 61 -26.145 15.207 3.941 474 HB2 GLU 61 HB2 GLU 61 -26.106 17.736 2.307 475 HB3 GLU 61 HB1 GLU 61 -27.515 16.694 2.452 476 HG2 GLU 61 HG2 GLU 61 -26.146 17.842 4.849 477 HG3 GLU 61 HG1 GLU 61 -27.378 18.733 3.962 478 H TYR 62 HN TYR 62 -24.262 16.375 1.209 479 HA TYR 62 HA TYR 62 -25.576 14.619 -0.624 480 HB2 TYR 62 HB2 TYR 62 -23.130 16.349 -0.846 481 HB3 TYR 62 HB1 TYR 62 -23.601 15.253 -2.143 482 HD1 TYR 62 HD1 TYR 62 -25.643 17.437 0.099 483 HD2 TYR 62 HD2 TYR 62 -24.453 16.541 -3.879 484 HE1 TYR 62 HE1 TYR 62 -27.220 19.119 -0.736 485 HE2 TYR 62 HE2 TYR 62 -26.032 18.224 -4.728 486 HH TYR 62 HH TYR 62 -27.384 20.574 -2.884 487 H ILE 63 HN ILE 63 -22.619 14.460 1.253 488 HA ILE 63 HA ILE 63 -21.653 12.069 0.086 489 HB ILE 63 HB ILE 63 -21.164 13.375 2.760 490 HG12 ILE 63 HG12 ILE 63 -19.378 12.846 0.376 491 HG13 ILE 63 HG11 ILE 63 -20.114 14.391 0.793 492 HG21 ILE 63 HG21 ILE 63 -21.069 10.969 3.138 493 HG22 ILE 63 HG22 ILE 63 -19.466 11.695 3.255 494 HG23 ILE 63 HG23 ILE 63 -19.923 10.796 1.808 495 HD11 ILE 63 HD11 ILE 63 -18.815 14.436 2.864 496 HD12 ILE 63 HD12 ILE 63 -17.784 14.340 1.436 497 HD13 ILE 63 HD13 ILE 63 -18.065 12.903 2.418 498 H ASN 64 HN ASN 64 -23.627 12.711 2.946 499 HA ASN 64 HA ASN 64 -23.909 10.011 3.702 500 HB2 ASN 64 HB2 ASN 64 -24.756 10.998 5.532 501 HB3 ASN 64 HB1 ASN 64 -24.716 12.545 4.704 502 HD21 ASN 64 HD21 ASN 64 -26.599 13.292 3.696 503 HD22 ASN 64 HD22 ASN 64 -28.158 12.685 4.126 504 H TYR 65 HN TYR 65 -25.674 12.065 1.500 505 HA TYR 65 HA TYR 65 -27.862 10.253 1.187 506 HB2 TYR 65 HB2 TYR 65 -28.082 12.688 0.715 507 HB3 TYR 65 HB1 TYR 65 -26.961 12.481 -0.626 508 HD1 TYR 65 HD1 TYR 65 -30.308 11.440 0.599 509 HD2 TYR 65 HD2 TYR 65 -27.702 11.803 -2.746 510 HE1 TYR 65 HE1 TYR 65 -32.167 10.878 -0.908 511 HE2 TYR 65 HE2 TYR 65 -29.555 11.243 -4.260 512 HH TYR 65 HH TYR 65 -31.685 10.102 -4.197 513 H LEU 66 HN LEU 66 -24.913 10.944 -0.666 514 HA LEU 66 HA LEU 66 -25.754 9.081 -2.680 515 HB2 LEU 66 HB2 LEU 66 -24.011 9.787 -3.978 516 HB3 LEU 66 HB1 LEU 66 -24.288 11.186 -2.970 517 HG LEU 66 HG LEU 66 -22.347 10.179 -1.528 518 HD11 LEU 66 HD11 LEU 66 -21.892 8.911 -4.231 519 HD12 LEU 66 HD12 LEU 66 -22.115 8.075 -2.697 520 HD13 LEU 66 HD13 LEU 66 -20.667 9.040 -2.972 521 HD21 LEU 66 HD21 LEU 66 -22.020 11.571 -4.182 522 HD22 LEU 66 HD22 LEU 66 -20.750 11.442 -2.975 523 HD23 LEU 66 HD23 LEU 66 -22.229 12.323 -2.601 524 H GLU 67 HN GLU 67 -23.817 8.893 0.190 525 HA GLU 67 HA GLU 67 -22.545 6.430 -0.458 526 HB2 GLU 67 HB2 GLU 67 -21.878 6.292 1.827 527 HB3 GLU 67 HB1 GLU 67 -21.838 7.999 1.409 528 HG2 GLU 67 HG2 GLU 67 -23.910 8.381 2.555 529 HG3 GLU 67 HG1 GLU 67 -24.108 6.657 2.843 530 H MET 68 HN MET 68 -25.686 7.285 0.800 531 HA MET 68 HA MET 68 -26.300 4.505 1.395 532 HB2 MET 68 HB2 MET 68 -28.465 5.312 2.197 533 HB3 MET 68 HB1 MET 68 -27.157 6.216 2.937 534 HG2 MET 68 HG2 MET 68 -27.598 8.118 1.577 535 HG3 MET 68 HG1 MET 68 -28.717 7.203 0.565 536 HE1 MET 68 HE1 MET 68 -31.096 6.444 1.285 537 HE2 MET 68 HE2 MET 68 -31.784 6.686 2.889 538 HE3 MET 68 HE3 MET 68 -30.448 5.559 2.667 539 H SER 69 HN SER 69 -26.874 6.905 -1.066 540 HA SER 69 HA SER 69 -27.845 6.850 -3.091 541 HB2 SER 69 HB2 SER 69 -27.370 3.886 -2.813 542 HB3 SER 69 HB1 SER 69 -27.720 4.732 -4.322 543 HG SER 69 HG SER 69 -25.619 5.799 -2.901 544 H1 MET 1 HT1 MET 1 -18.134 20.400 -21.064 545 HA MET 1 HA MET 1 -19.694 21.978 -20.181 546 HB2 MET 1 HB2 MET 1 -19.785 21.131 -17.933 547 HB3 MET 1 HB1 MET 1 -19.166 19.846 -18.954 548 HG2 MET 1 HG2 MET 1 -17.453 21.640 -17.242 549 HG3 MET 1 HG1 MET 1 -18.026 20.048 -16.757 550 HE1 MET 1 HE1 MET 1 -17.236 17.779 -17.885 551 HE2 MET 1 HE2 MET 1 -16.163 17.701 -19.282 552 HE3 MET 1 HE3 MET 1 -17.782 18.375 -19.452 553 H SER 2 HN SER 2 -19.911 23.322 -17.993 554 HA SER 2 HA SER 2 -18.040 25.534 -18.292 555 HB2 SER 2 HB2 SER 2 -20.519 25.927 -18.366 556 HB3 SER 2 HB1 SER 2 -20.602 25.414 -16.683 557 HG SER 2 HG SER 2 -18.927 27.529 -17.556 558 HA PRO 3 HA PRO 3 -16.365 24.057 -14.376 559 HB2 PRO 3 HB2 PRO 3 -13.777 24.613 -14.958 560 HB3 PRO 3 HB1 PRO 3 -14.602 23.165 -15.541 561 HG2 PRO 3 HG2 PRO 3 -13.715 25.506 -17.049 562 HG3 PRO 3 HG1 PRO 3 -14.244 23.929 -17.650 563 HD2 PRO 3 HD2 PRO 3 -15.754 26.423 -17.442 564 HD3 PRO 3 HD1 PRO 3 -16.182 24.920 -18.285 565 H TYR 4 HN TYR 4 -16.714 25.407 -12.720 566 HA TYR 4 HA TYR 4 -16.079 28.213 -12.915 567 HB2 TYR 4 HB2 TYR 4 -17.218 26.584 -10.636 568 HB3 TYR 4 HB1 TYR 4 -17.008 28.331 -10.606 569 HD1 TYR 4 HD1 TYR 4 -18.973 25.555 -11.963 570 HD2 TYR 4 HD2 TYR 4 -18.455 29.777 -11.924 571 HE1 TYR 4 HE1 TYR 4 -21.192 25.831 -12.984 572 HE2 TYR 4 HE2 TYR 4 -20.673 30.063 -12.945 573 HH TYR 4 HH TYR 4 -22.264 28.822 -14.261 574 H GLY 5 HN GLY 5 -15.382 25.999 -10.228 575 HA2 GLY 5 HA2 GLY 5 -12.560 26.220 -10.479 576 HA3 GLY 5 HA1 GLY 5 -13.181 27.307 -9.244 577 H SER 6 HN SER 6 -11.816 25.935 -7.847 578 HA SER 6 HA SER 6 -11.578 24.426 -6.193 579 HB2 SER 6 HB2 SER 6 -14.575 24.095 -6.437 580 HB3 SER 6 HB1 SER 6 -13.583 23.709 -5.028 581 HG SER 6 HG SER 6 -12.981 26.028 -5.106 582 H ASP 7 HN ASP 7 -10.371 22.955 -7.440 583 HA ASP 7 HA ASP 7 -11.591 20.366 -7.632 584 HB2 ASP 7 HB2 ASP 7 -11.264 19.964 -9.941 585 HB3 ASP 7 HB1 ASP 7 -12.177 21.453 -9.812 586 H THR 8 HN THR 8 -9.932 18.701 -8.344 587 HA THR 8 HA THR 8 -7.737 18.814 -6.689 588 HB THR 8 HB THR 8 -6.795 16.920 -8.150 589 HG1 THR 8 HG1 THR 8 -8.546 17.825 -9.854 590 HG21 THR 8 HG21 THR 8 -8.086 16.571 -6.097 591 HG22 THR 8 HG22 THR 8 -8.447 15.340 -7.311 592 HG23 THR 8 HG23 THR 8 -9.585 16.660 -7.030 593 H THR 9 HN THR 9 -6.124 20.155 -6.708 594 HA THR 9 HA THR 9 -5.131 21.164 -9.259 595 HB THR 9 HB THR 9 -4.717 22.219 -6.451 596 HG1 THR 9 HG1 THR 9 -6.924 22.307 -7.501 597 HG21 THR 9 HG21 THR 9 -3.919 24.247 -7.576 598 HG22 THR 9 HG22 THR 9 -4.118 23.462 -9.140 599 HG23 THR 9 HG23 THR 9 -2.919 22.857 -7.997 600 HA PRO 10 HA PRO 10 -1.445 18.690 -8.697 601 HB2 PRO 10 HB2 PRO 10 0.111 20.019 -10.519 602 HB3 PRO 10 HB1 PRO 10 -1.080 18.786 -10.961 603 HG2 PRO 10 HG2 PRO 10 -1.306 21.765 -11.048 604 HG3 PRO 10 HG1 PRO 10 -1.902 20.560 -12.205 605 HD2 PRO 10 HD2 PRO 10 -3.515 21.774 -10.408 606 HD3 PRO 10 HD1 PRO 10 -3.784 20.106 -10.951 607 H CYS 11 HN CYS 11 -0.299 18.986 -6.926 608 HA CYS 11 HA CYS 11 1.319 21.404 -6.646 609 HB2 CYS 11 HB2 CYS 11 -0.752 21.618 -5.227 610 HB3 CYS 11 HB1 CYS 11 -0.268 20.155 -4.380 611 H CYS 12 HN CYS 12 3.048 20.968 -4.891 612 HA CYS 12 HA CYS 12 3.658 18.335 -4.145 613 HB2 CYS 12 HB2 CYS 12 3.942 18.419 -6.741 614 HB3 CYS 12 HB1 CYS 12 5.454 19.229 -6.355 615 H PHE 13 HN PHE 13 5.568 18.191 -2.981 616 HA PHE 13 HA PHE 13 7.406 20.425 -2.816 617 HB2 PHE 13 HB2 PHE 13 5.650 21.080 -1.206 618 HB3 PHE 13 HB1 PHE 13 5.794 19.525 -0.397 619 HD1 PHE 13 HD1 PHE 13 7.719 22.591 -1.248 620 HD2 PHE 13 HD2 PHE 13 7.271 19.288 1.395 621 HE1 PHE 13 HE1 PHE 13 9.411 23.563 0.246 622 HE2 PHE 13 HE2 PHE 13 8.966 20.253 2.891 623 HZ PHE 13 HZ PHE 13 10.038 22.394 2.318 624 H ALA 14 HN ALA 14 8.687 18.721 -3.757 625 HA ALA 14 HA ALA 14 10.129 17.240 -1.831 626 HB1 ALA 14 HB1 ALA 14 9.621 14.994 -2.655 627 HB2 ALA 14 HB2 ALA 14 8.413 15.658 -3.754 628 HB3 ALA 14 HB3 ALA 14 8.167 15.758 -2.012 629 H TYR 15 HN TYR 15 11.902 16.120 -2.834 630 HA TYR 15 HA TYR 15 12.288 16.704 -5.656 631 HB2 TYR 15 HB2 TYR 15 14.614 17.481 -5.214 632 HB3 TYR 15 HB1 TYR 15 13.387 18.564 -4.574 633 HD1 TYR 15 HD1 TYR 15 16.022 16.156 -3.718 634 HD2 TYR 15 HD2 TYR 15 13.137 18.886 -2.193 635 HE1 TYR 15 HE1 TYR 15 17.107 16.067 -1.507 636 HE2 TYR 15 HE2 TYR 15 14.208 18.802 0.014 637 HH TYR 15 HH TYR 15 15.648 17.234 1.298 638 H LEU 16 HN LEU 16 13.363 15.173 -6.723 639 HA LEU 16 HA LEU 16 13.859 12.712 -5.295 640 HB2 LEU 16 HB2 LEU 16 12.951 13.313 -7.822 641 HB3 LEU 16 HB1 LEU 16 14.620 12.867 -8.117 642 HG LEU 16 HG LEU 16 12.625 11.117 -6.674 643 HD11 LEU 16 HD11 LEU 16 13.598 10.948 -9.523 644 HD12 LEU 16 HD12 LEU 16 11.985 11.458 -9.017 645 HD13 LEU 16 HD13 LEU 16 12.516 9.805 -8.721 646 HD21 LEU 16 HD21 LEU 16 14.281 9.353 -7.053 647 HD22 LEU 16 HD22 LEU 16 14.930 10.659 -6.062 648 HD23 LEU 16 HD23 LEU 16 15.373 10.541 -7.764 649 H SER 17 HN SER 17 15.748 12.100 -4.571 650 HA SER 17 HA SER 17 18.013 13.789 -4.723 651 HB2 SER 17 HB2 SER 17 17.760 10.926 -3.793 652 HB3 SER 17 HB1 SER 17 19.154 11.969 -3.487 653 HG SER 17 HG SER 17 16.629 12.921 -2.766 654 H LEU 18 HN LEU 18 16.825 11.288 -6.694 655 HA LEU 18 HA LEU 18 19.379 11.036 -8.103 656 HB2 LEU 18 HB2 LEU 18 16.889 9.372 -8.486 657 HB3 LEU 18 HB1 LEU 18 18.489 9.045 -9.113 658 HG LEU 18 HG LEU 18 17.674 8.934 -6.211 659 HD11 LEU 18 HD11 LEU 18 18.068 6.531 -6.441 660 HD12 LEU 18 HD12 LEU 18 18.361 6.751 -8.167 661 HD13 LEU 18 HD13 LEU 18 16.769 7.093 -7.492 662 HD21 LEU 18 HD21 LEU 18 20.320 8.335 -7.530 663 HD22 LEU 18 HD22 LEU 18 19.917 7.999 -5.846 664 HD23 LEU 18 HD23 LEU 18 19.972 9.664 -6.423 665 H ALA 19 HN ALA 19 19.342 12.896 -9.286 666 HA ALA 19 HA ALA 19 17.021 13.724 -10.749 667 HB1 ALA 19 HB1 ALA 19 18.424 15.534 -11.578 668 HB2 ALA 19 HB2 ALA 19 19.861 14.737 -10.944 669 HB3 ALA 19 HB3 ALA 19 18.637 15.354 -9.837 670 H LEU 20 HN LEU 20 16.557 13.399 -12.850 671 HA LEU 20 HA LEU 20 18.077 11.383 -14.245 672 HB2 LEU 20 HB2 LEU 20 16.224 11.587 -15.949 673 HB3 LEU 20 HB1 LEU 20 15.740 11.061 -14.352 674 HG LEU 20 HG LEU 20 15.154 13.595 -14.003 675 HD11 LEU 20 HD11 LEU 20 16.112 14.406 -16.082 676 HD12 LEU 20 HD12 LEU 20 14.373 14.692 -16.034 677 HD13 LEU 20 HD13 LEU 20 15.022 13.370 -17.003 678 HD21 LEU 20 HD21 LEU 20 12.890 13.160 -14.824 679 HD22 LEU 20 HD22 LEU 20 13.547 11.783 -13.940 680 HD23 LEU 20 HD23 LEU 20 13.485 11.751 -15.702 681 HA PRO 21 HA PRO 21 20.639 13.919 -16.739 682 HB2 PRO 21 HB2 PRO 21 20.304 12.626 -19.190 683 HB3 PRO 21 HB1 PRO 21 21.471 12.185 -17.942 684 HG2 PRO 21 HG2 PRO 21 18.783 11.024 -18.524 685 HG3 PRO 21 HG1 PRO 21 20.273 10.210 -18.012 686 HD2 PRO 21 HD2 PRO 21 18.282 10.653 -16.293 687 HD3 PRO 21 HD1 PRO 21 19.979 10.803 -15.787 688 H ARG 22 HN ARG 22 20.620 15.566 -18.244 689 HA ARG 22 HA ARG 22 18.187 16.925 -18.656 690 HB2 ARG 22 HB2 ARG 22 20.809 17.353 -20.096 691 HB3 ARG 22 HB1 ARG 22 19.490 18.507 -19.980 692 HG2 ARG 22 HG2 ARG 22 19.820 18.664 -17.576 693 HG3 ARG 22 HG1 ARG 22 21.118 17.474 -17.668 694 HD2 ARG 22 HD2 ARG 22 21.079 20.207 -18.941 695 HD3 ARG 22 HD1 ARG 22 22.042 19.703 -17.553 696 HE ARG 22 HE ARG 22 22.476 18.176 -19.972 697 HH11 ARG 22 HH11 ARG 22 23.529 20.894 -18.019 698 HH12 ARG 22 HH12 ARG 22 25.091 20.980 -18.751 699 HH21 ARG 22 HH21 ARG 22 24.528 18.288 -20.944 700 HH22 ARG 22 HH22 ARG 22 25.666 19.486 -20.427 701 H ALA 23 HN ALA 23 19.748 14.492 -20.465 702 HA ALA 23 HA ALA 23 18.526 15.094 -22.991 703 HB1 ALA 23 HB1 ALA 23 19.416 12.937 -23.712 704 HB2 ALA 23 HB2 ALA 23 19.850 12.554 -22.046 705 HB3 ALA 23 HB3 ALA 23 20.647 13.888 -22.881 706 H HIS 24 HN HIS 24 17.363 13.811 -20.121 707 HA HIS 24 HA HIS 24 15.310 12.268 -21.505 708 HB2 HIS 24 HB2 HIS 24 16.431 12.167 -18.743 709 HB3 HIS 24 HB1 HIS 24 14.795 11.595 -19.033 710 HD1 HIS 24 HD1 HIS 24 14.973 9.103 -19.029 711 HD2 HIS 24 HD2 HIS 24 18.032 10.885 -21.208 712 HE1 HIS 24 HE1 HIS 24 16.244 7.212 -20.073 713 H VAL 25 HN VAL 25 15.851 15.208 -19.853 714 HA VAL 25 HA VAL 25 13.029 15.522 -19.250 715 HB VAL 25 HB VAL 25 14.953 16.351 -17.712 716 HG11 VAL 25 HG11 VAL 25 15.662 18.663 -18.083 717 HG12 VAL 25 HG12 VAL 25 14.841 18.663 -19.641 718 HG13 VAL 25 HG13 VAL 25 16.224 17.595 -19.374 719 HG21 VAL 25 HG21 VAL 25 13.576 18.181 -16.884 720 HG22 VAL 25 HG22 VAL 25 12.593 16.780 -17.311 721 HG23 VAL 25 HG23 VAL 25 12.654 18.176 -18.387 722 H LYS 26 HN LYS 26 11.749 17.170 -20.141 723 HA LYS 26 HA LYS 26 12.687 18.051 -22.779 724 HB2 LYS 26 HB2 LYS 26 10.724 16.616 -22.874 725 HB3 LYS 26 HB1 LYS 26 9.888 17.641 -21.720 726 HG2 LYS 26 HG2 LYS 26 9.827 19.457 -23.310 727 HG3 LYS 26 HG1 LYS 26 10.776 18.515 -24.460 728 HD2 LYS 26 HD2 LYS 26 8.380 18.511 -25.004 729 HD3 LYS 26 HD1 LYS 26 8.985 16.893 -24.650 730 HE2 LYS 26 HE2 LYS 26 8.008 16.923 -22.474 731 HE3 LYS 26 HE1 LYS 26 7.606 18.630 -22.613 732 HZ1 LYS 26 HZ1 LYS 26 6.090 18.038 -24.435 733 HZ2 LYS 26 HZ2 LYS 26 5.654 17.304 -22.980 734 HZ3 LYS 26 HZ3 LYS 26 6.426 16.401 -24.179 735 H GLU 27 HN GLU 27 10.799 19.068 -19.968 736 HA GLU 27 HA GLU 27 11.872 21.715 -20.158 737 HB2 GLU 27 HB2 GLU 27 9.697 22.841 -20.374 738 HB3 GLU 27 HB1 GLU 27 10.082 21.880 -21.795 739 HG2 GLU 27 HG2 GLU 27 8.613 20.104 -20.972 740 HG3 GLU 27 HG1 GLU 27 8.203 21.116 -19.584 741 H TYR 28 HN TYR 28 10.522 23.127 -18.494 742 HA TYR 28 HA TYR 28 9.948 21.466 -16.160 743 HB2 TYR 28 HB2 TYR 28 11.119 23.001 -14.702 744 HB3 TYR 28 HB1 TYR 28 12.222 22.507 -15.982 745 HD1 TYR 28 HD1 TYR 28 10.497 25.267 -14.404 746 HD2 TYR 28 HD2 TYR 28 12.784 24.136 -17.807 747 HE1 TYR 28 HE1 TYR 28 10.935 27.636 -14.898 748 HE2 TYR 28 HE2 TYR 28 13.224 26.494 -18.309 749 HH TYR 28 HH TYR 28 12.174 28.699 -17.842 750 H PHE 29 HN PHE 29 8.540 22.527 -14.602 751 HA PHE 29 HA PHE 29 6.874 24.663 -15.716 752 HB2 PHE 29 HB2 PHE 29 5.964 22.474 -16.475 753 HB3 PHE 29 HB1 PHE 29 5.843 21.962 -14.802 754 HD1 PHE 29 HD1 PHE 29 4.577 24.458 -17.231 755 HD2 PHE 29 HD2 PHE 29 3.913 22.401 -13.567 756 HE1 PHE 29 HE1 PHE 29 2.282 25.336 -17.157 757 HE2 PHE 29 HE2 PHE 29 1.618 23.279 -13.486 758 HZ PHE 29 HZ PHE 29 0.799 24.747 -15.285 759 H TYR 30 HN TYR 30 6.041 25.975 -14.110 760 HA TYR 30 HA TYR 30 6.990 25.457 -11.418 761 HB2 TYR 30 HB2 TYR 30 5.487 27.816 -12.572 762 HB3 TYR 30 HB1 TYR 30 6.069 27.718 -10.914 763 HD1 TYR 30 HD1 TYR 30 6.897 28.547 -14.303 764 HD2 TYR 30 HD2 TYR 30 8.567 27.502 -10.536 765 HE1 TYR 30 HE1 TYR 30 9.067 29.450 -15.021 766 HE2 TYR 30 HE2 TYR 30 10.741 28.402 -11.242 767 HH TYR 30 HH TYR 30 11.961 28.900 -13.276 768 H THR 31 HN THR 31 5.730 25.101 -9.613 769 HA THR 31 HA THR 31 3.372 23.652 -9.947 770 HB THR 31 HB THR 31 3.092 24.151 -7.412 771 HG1 THR 31 HG1 THR 31 4.448 25.979 -7.336 772 HG21 THR 31 HG21 THR 31 3.982 22.055 -8.366 773 HG22 THR 31 HG22 THR 31 4.789 22.501 -6.866 774 HG23 THR 31 HG23 THR 31 5.591 22.777 -8.413 775 H SER 32 HN SER 32 1.252 24.113 -9.058 776 HA SER 32 HA SER 32 0.083 26.365 -10.197 777 HB2 SER 32 HB2 SER 32 -1.017 24.653 -7.967 778 HB3 SER 32 HB1 SER 32 -1.946 25.636 -9.100 779 HG SER 32 HG SER 32 -0.851 23.142 -9.409 780 H SER 33 HN SER 33 -0.998 28.149 -9.212 781 HA SER 33 HA SER 33 0.540 29.434 -7.170 782 HB2 SER 33 HB2 SER 33 -2.103 30.382 -8.265 783 HB3 SER 33 HB1 SER 33 -0.754 31.348 -7.660 784 HG SER 33 HG SER 33 0.210 31.198 -9.537 785 H LYS 34 HN LYS 34 -1.875 27.183 -7.052 786 HA LYS 34 HA LYS 34 -3.217 28.210 -4.687 787 HB2 LYS 34 HB2 LYS 34 -3.557 25.582 -6.140 788 HB3 LYS 34 HB1 LYS 34 -4.578 26.166 -4.835 789 HG2 LYS 34 HG2 LYS 34 -4.264 27.449 -7.545 790 HG3 LYS 34 HG1 LYS 34 -5.643 26.491 -6.999 791 HD2 LYS 34 HD2 LYS 34 -6.118 28.132 -5.268 792 HD3 LYS 34 HD1 LYS 34 -4.703 29.068 -5.747 793 HE2 LYS 34 HE2 LYS 34 -5.704 29.413 -7.962 794 HE3 LYS 34 HE1 LYS 34 -7.131 28.516 -7.445 795 HZ1 LYS 34 HZ1 LYS 34 -7.467 30.901 -7.274 796 HZ2 LYS 34 HZ2 LYS 34 -6.147 31.042 -6.232 797 HZ3 LYS 34 HZ3 LYS 34 -7.521 30.181 -5.748 798 H CYS 35 HN CYS 35 -0.382 26.712 -5.301 799 HA CYS 35 HA CYS 35 -0.376 24.905 -3.043 800 HB2 CYS 35 HB2 CYS 35 1.902 25.764 -4.839 801 HB3 CYS 35 HB1 CYS 35 1.905 24.405 -3.721 802 H SER 36 HN SER 36 0.741 25.248 -1.135 803 HA SER 36 HA SER 36 1.080 27.976 -0.362 804 HB2 SER 36 HB2 SER 36 1.875 26.825 1.806 805 HB3 SER 36 HB1 SER 36 0.198 26.586 1.311 806 HG SER 36 HG SER 36 1.117 24.604 1.858 807 H ASN 37 HN ASN 37 3.124 25.477 -1.526 808 HA ASN 37 HA ASN 37 5.503 27.080 -0.876 809 HB2 ASN 37 HB2 ASN 37 6.814 25.048 -0.992 810 HB3 ASN 37 HB1 ASN 37 5.467 24.786 0.110 811 HD21 ASN 37 HD21 ASN 37 6.910 23.920 -2.916 812 HD22 ASN 37 HD22 ASN 37 5.846 22.601 -3.282 813 H LEU 38 HN LEU 38 7.275 26.817 -2.525 814 HA LEU 38 HA LEU 38 6.102 26.842 -5.213 815 HB2 LEU 38 HB2 LEU 38 7.096 28.971 -4.570 816 HB3 LEU 38 HB1 LEU 38 8.601 28.170 -4.165 817 HG LEU 38 HG LEU 38 8.841 27.522 -6.562 818 HD11 LEU 38 HD11 LEU 38 6.470 29.343 -6.930 819 HD12 LEU 38 HD12 LEU 38 6.524 27.608 -7.241 820 HD13 LEU 38 HD13 LEU 38 7.486 28.710 -8.225 821 HD21 LEU 38 HD21 LEU 38 10.010 29.449 -5.662 822 HD22 LEU 38 HD22 LEU 38 8.609 30.469 -5.991 823 HD23 LEU 38 HD23 LEU 38 9.507 29.747 -7.326 824 H ALA 39 HN ALA 39 6.689 25.292 -6.570 825 HA ALA 39 HA ALA 39 9.284 24.029 -6.271 826 HB1 ALA 39 HB1 ALA 39 7.807 22.636 -4.912 827 HB2 ALA 39 HB2 ALA 39 8.338 21.770 -6.354 828 HB3 ALA 39 HB3 ALA 39 6.713 22.450 -6.282 829 H VAL 40 HN VAL 40 9.707 22.572 -8.194 830 HA VAL 40 HA VAL 40 8.157 23.531 -10.483 831 HB VAL 40 HB VAL 40 10.085 23.472 -11.908 832 HG11 VAL 40 HG11 VAL 40 11.469 25.248 -10.926 833 HG12 VAL 40 HG12 VAL 40 10.681 24.969 -9.371 834 HG13 VAL 40 HG13 VAL 40 9.739 25.542 -10.749 835 HG21 VAL 40 HG21 VAL 40 12.327 22.982 -11.102 836 HG22 VAL 40 HG22 VAL 40 11.255 21.594 -10.919 837 HG23 VAL 40 HG23 VAL 40 11.676 22.575 -9.512 838 H VAL 41 HN VAL 41 7.988 22.106 -12.214 839 HA VAL 41 HA VAL 41 8.257 19.291 -11.460 840 HB VAL 41 HB VAL 41 5.970 20.486 -13.038 841 HG11 VAL 41 HG11 VAL 41 6.371 17.746 -11.867 842 HG12 VAL 41 HG12 VAL 41 6.479 18.181 -13.572 843 HG13 VAL 41 HG13 VAL 41 4.933 18.306 -12.724 844 HG21 VAL 41 HG21 VAL 41 4.576 20.088 -11.059 845 HG22 VAL 41 HG22 VAL 41 5.852 21.259 -10.727 846 HG23 VAL 41 HG23 VAL 41 6.008 19.599 -10.152 847 H PHE 42 HN PHE 42 9.550 18.307 -12.817 848 HA PHE 42 HA PHE 42 10.160 19.528 -15.368 849 HB2 PHE 42 HB2 PHE 42 11.349 17.214 -13.866 850 HB3 PHE 42 HB1 PHE 42 11.854 17.654 -15.491 851 HD1 PHE 42 HD1 PHE 42 11.991 18.480 -11.978 852 HD2 PHE 42 HD2 PHE 42 12.962 19.807 -15.896 853 HE1 PHE 42 HE1 PHE 42 13.523 20.151 -11.031 854 HE2 PHE 42 HE2 PHE 42 14.504 21.470 -14.963 855 HZ PHE 42 HZ PHE 42 14.794 21.647 -12.534 856 H VAL 43 HN VAL 43 9.458 18.880 -17.226 857 HA VAL 43 HA VAL 43 7.764 16.500 -17.322 858 HB VAL 43 HB VAL 43 8.036 18.751 -19.330 859 HG11 VAL 43 HG11 VAL 43 7.318 16.642 -20.318 860 HG12 VAL 43 HG12 VAL 43 6.023 17.836 -20.333 861 HG13 VAL 43 HG13 VAL 43 6.006 16.531 -19.143 862 HG21 VAL 43 HG21 VAL 43 7.071 19.573 -17.252 863 HG22 VAL 43 HG22 VAL 43 5.889 18.265 -17.266 864 HG23 VAL 43 HG23 VAL 43 5.844 19.507 -18.517 865 H THR 44 HN THR 44 8.798 14.752 -17.989 866 HA THR 44 HA THR 44 11.291 14.884 -19.360 867 HB THR 44 HB THR 44 11.055 12.385 -19.496 868 HG1 THR 44 HG1 THR 44 8.839 12.636 -17.785 869 HG21 THR 44 HG21 THR 44 11.257 12.023 -17.083 870 HG22 THR 44 HG22 THR 44 10.579 13.623 -16.784 871 HG23 THR 44 HG23 THR 44 12.146 13.464 -17.580 872 H ARG 45 HN ARG 45 11.605 13.421 -21.349 873 HA ARG 45 HA ARG 45 10.062 14.513 -23.470 874 HB2 ARG 45 HB2 ARG 45 12.017 12.192 -23.490 875 HB3 ARG 45 HB1 ARG 45 11.378 12.976 -24.926 876 HG2 ARG 45 HG2 ARG 45 12.958 14.447 -22.836 877 HG3 ARG 45 HG1 ARG 45 13.703 13.646 -24.220 878 HD2 ARG 45 HD2 ARG 45 12.569 15.059 -25.753 879 HD3 ARG 45 HD1 ARG 45 11.522 15.704 -24.492 880 HE ARG 45 HE ARG 45 14.217 16.236 -23.850 881 HH11 ARG 45 HH11 ARG 45 11.767 17.226 -26.150 882 HH12 ARG 45 HH12 ARG 45 12.361 18.839 -26.298 883 HH21 ARG 45 HH21 ARG 45 15.011 18.363 -24.034 884 HH22 ARG 45 HH22 ARG 45 14.227 19.500 -25.076 885 H ARG 46 HN ARG 46 9.555 11.944 -21.397 886 HA ARG 46 HA ARG 46 7.741 10.543 -23.225 887 HB2 ARG 46 HB2 ARG 46 8.600 9.809 -20.427 888 HB3 ARG 46 HB1 ARG 46 7.693 8.799 -21.546 889 HG2 ARG 46 HG2 ARG 46 9.585 8.662 -23.024 890 HG3 ARG 46 HG1 ARG 46 10.500 9.771 -22.000 891 HD2 ARG 46 HD2 ARG 46 11.197 7.534 -21.524 892 HD3 ARG 46 HD1 ARG 46 10.279 8.166 -20.154 893 HE ARG 46 HE ARG 46 8.452 6.841 -21.726 894 HH11 ARG 46 HH11 ARG 46 11.415 5.978 -20.059 895 HH12 ARG 46 HH12 ARG 46 10.915 4.357 -19.735 896 HH21 ARG 46 HH21 ARG 46 7.789 4.684 -21.313 897 HH22 ARG 46 HH22 ARG 46 8.840 3.617 -20.452 898 H ASN 47 HN ASN 47 7.601 13.162 -21.464 899 HA ASN 47 HA ASN 47 5.929 14.425 -20.651 900 HB2 ASN 47 HB2 ASN 47 4.225 12.183 -21.720 901 HB3 ASN 47 HB1 ASN 47 3.569 13.680 -21.058 902 HD21 ASN 47 HD21 ASN 47 3.904 12.304 -23.816 903 HD22 ASN 47 HD22 ASN 47 4.375 13.618 -24.835 904 H ARG 48 HN ARG 48 7.234 12.215 -19.072 905 HA ARG 48 HA ARG 48 5.196 11.867 -16.990 906 HB2 ARG 48 HB2 ARG 48 6.675 9.925 -17.517 907 HB3 ARG 48 HB1 ARG 48 8.073 10.877 -17.046 908 HG2 ARG 48 HG2 ARG 48 5.864 10.463 -15.066 909 HG3 ARG 48 HG1 ARG 48 6.999 9.153 -15.378 910 HD2 ARG 48 HD2 ARG 48 8.852 10.490 -14.675 911 HD3 ARG 48 HD1 ARG 48 7.863 11.947 -14.633 912 HE ARG 48 HE ARG 48 6.612 10.524 -12.802 913 HH11 ARG 48 HH11 ARG 48 10.074 10.796 -13.304 914 HH12 ARG 48 HH12 ARG 48 10.477 10.636 -11.641 915 HH21 ARG 48 HH21 ARG 48 7.129 10.332 -10.538 916 HH22 ARG 48 HH22 ARG 48 8.785 10.404 -10.047 917 H GLN 49 HN GLN 49 4.942 13.429 -15.569 918 HA GLN 49 HA GLN 49 6.976 15.463 -15.342 919 HB2 GLN 49 HB2 GLN 49 4.330 15.400 -13.871 920 HB3 GLN 49 HB1 GLN 49 5.362 16.772 -14.209 921 HG2 GLN 49 HG2 GLN 49 4.935 16.392 -16.654 922 HG3 GLN 49 HG1 GLN 49 3.707 15.224 -16.174 923 HE21 GLN 49 HE21 GLN 49 4.440 18.173 -14.455 924 HE22 GLN 49 HE22 GLN 49 2.937 18.965 -14.787 925 H VAL 50 HN VAL 50 8.115 15.983 -13.547 926 HA VAL 50 HA VAL 50 7.838 14.295 -11.157 927 HB VAL 50 HB VAL 50 9.691 13.424 -12.583 928 HG11 VAL 50 HG11 VAL 50 10.305 15.480 -13.668 929 HG12 VAL 50 HG12 VAL 50 11.709 14.708 -12.921 930 HG13 VAL 50 HG13 VAL 50 10.947 16.103 -12.149 931 HG21 VAL 50 HG21 VAL 50 10.598 14.708 -10.009 932 HG22 VAL 50 HG22 VAL 50 11.425 13.389 -10.841 933 HG23 VAL 50 HG23 VAL 50 9.814 13.136 -10.165 934 H CYS 51 HN CYS 51 8.264 15.406 -9.222 935 HA CYS 51 HA CYS 51 8.460 18.306 -9.563 936 HB2 CYS 51 HB2 CYS 51 7.657 16.721 -7.140 937 HB3 CYS 51 HB1 CYS 51 7.579 18.469 -7.318 938 H ALA 52 HN ALA 52 9.833 19.561 -8.390 939 HA ALA 52 HA ALA 52 11.616 18.477 -6.450 940 HB1 ALA 52 HB1 ALA 52 13.688 19.013 -7.621 941 HB2 ALA 52 HB2 ALA 52 12.773 19.467 -9.060 942 HB3 ALA 52 HB3 ALA 52 12.773 17.792 -8.504 943 H ASN 53 HN ASN 53 12.525 20.081 -5.212 944 HA ASN 53 HA ASN 53 11.227 22.626 -5.426 945 HB2 ASN 53 HB2 ASN 53 13.335 21.700 -3.455 946 HB3 ASN 53 HB1 ASN 53 12.344 23.150 -3.312 947 HD21 ASN 53 HD21 ASN 53 10.157 22.950 -2.791 948 HD22 ASN 53 HD22 ASN 53 9.505 21.494 -2.131 949 HA PRO 54 HA PRO 54 14.311 24.520 -7.986 950 HB2 PRO 54 HB2 PRO 54 13.592 27.102 -7.605 951 HB3 PRO 54 HB1 PRO 54 12.647 25.982 -8.595 952 HG2 PRO 54 HG2 PRO 54 12.236 26.780 -5.734 953 HG3 PRO 54 HG1 PRO 54 11.042 26.692 -7.046 954 HD2 PRO 54 HD2 PRO 54 11.258 24.727 -5.249 955 HD3 PRO 54 HD1 PRO 54 10.944 24.379 -6.966 956 H GLU 55 HN GLU 55 14.382 24.550 -4.702 957 HA GLU 55 HA GLU 55 16.409 26.591 -4.440 958 HB2 GLU 55 HB2 GLU 55 15.304 24.667 -2.383 959 HB3 GLU 55 HB1 GLU 55 16.346 26.045 -2.049 960 HG2 GLU 55 HG2 GLU 55 14.609 27.553 -2.908 961 HG3 GLU 55 HG1 GLU 55 13.564 26.166 -3.195 962 H LYS 56 HN LYS 56 16.421 23.612 -5.649 963 HA LYS 56 HA LYS 56 18.992 22.825 -4.498 964 HB2 LYS 56 HB2 LYS 56 17.198 21.306 -6.400 965 HB3 LYS 56 HB1 LYS 56 18.665 20.686 -5.664 966 HG2 LYS 56 HG2 LYS 56 16.369 21.611 -3.977 967 HG3 LYS 56 HG1 LYS 56 16.381 20.006 -4.699 968 HD2 LYS 56 HD2 LYS 56 17.219 19.853 -2.436 969 HD3 LYS 56 HD1 LYS 56 18.544 19.556 -3.555 970 HE2 LYS 56 HE2 LYS 56 19.484 21.687 -3.152 971 HE3 LYS 56 HE1 LYS 56 18.032 22.266 -2.332 972 HZ1 LYS 56 HZ1 LYS 56 19.912 20.183 -1.356 973 HZ2 LYS 56 HZ2 LYS 56 18.493 20.650 -0.569 974 HZ3 LYS 56 HZ3 LYS 56 19.751 21.752 -0.747 975 H LYS 57 HN LYS 57 20.830 22.725 -5.679 976 HA LYS 57 HA LYS 57 21.096 24.552 -7.782 977 HB2 LYS 57 HB2 LYS 57 22.846 22.847 -6.238 978 HB3 LYS 57 HB1 LYS 57 23.348 22.944 -7.920 979 HG2 LYS 57 HG2 LYS 57 24.419 24.644 -6.528 980 HG3 LYS 57 HG1 LYS 57 23.419 25.336 -7.808 981 HD2 LYS 57 HD2 LYS 57 21.605 25.697 -6.185 982 HD3 LYS 57 HD1 LYS 57 22.623 25.026 -4.911 983 HE2 LYS 57 HE2 LYS 57 24.190 26.826 -5.137 984 HE3 LYS 57 HE1 LYS 57 23.342 27.444 -6.554 985 HZ1 LYS 57 HZ1 LYS 57 21.423 27.890 -5.146 986 HZ2 LYS 57 HZ2 LYS 57 22.780 28.726 -4.604 987 HZ3 LYS 57 HZ3 LYS 57 22.261 27.341 -3.787 988 H TRP 58 HN TRP 58 20.796 21.030 -7.840 989 HA TRP 58 HA TRP 58 21.555 20.737 -10.530 990 HB2 TRP 58 HB2 TRP 58 19.660 19.030 -8.894 991 HB3 TRP 58 HB1 TRP 58 20.340 18.566 -10.449 992 HD1 TRP 58 HD1 TRP 58 20.923 18.127 -6.874 993 HE1 TRP 58 HE1 TRP 58 23.299 17.265 -6.412 994 HE3 TRP 58 HE3 TRP 58 23.018 19.035 -11.453 995 HZ2 TRP 58 HZ2 TRP 58 25.745 17.012 -7.801 996 HZ3 TRP 58 HZ3 TRP 58 25.383 18.456 -11.799 997 HH2 TRP 58 HH2 TRP 58 26.717 17.465 -10.010 998 H VAL 59 HN VAL 59 18.572 21.553 -8.970 999 HA VAL 59 HA VAL 59 16.863 21.275 -11.206 1000 HB VAL 59 HB VAL 59 16.572 22.964 -8.706 1001 HG11 VAL 59 HG11 VAL 59 14.183 23.006 -9.217 1002 HG12 VAL 59 HG12 VAL 59 14.491 22.149 -10.721 1003 HG13 VAL 59 HG13 VAL 59 15.129 23.777 -10.492 1004 HG21 VAL 59 HG21 VAL 59 15.168 21.151 -7.887 1005 HG22 VAL 59 HG22 VAL 59 16.786 20.559 -8.271 1006 HG23 VAL 59 HG23 VAL 59 15.448 20.246 -9.374 1007 H GLN 60 HN GLN 60 18.640 23.943 -9.779 1008 HA GLN 60 HA GLN 60 17.696 25.961 -11.510 1009 HB2 GLN 60 HB2 GLN 60 20.277 25.775 -9.953 1010 HB3 GLN 60 HB1 GLN 60 19.674 27.234 -10.726 1011 HG2 GLN 60 HG2 GLN 60 18.186 25.737 -8.591 1012 HG3 GLN 60 HG1 GLN 60 19.274 27.080 -8.266 1013 HE21 GLN 60 HE21 GLN 60 16.214 26.115 -9.550 1014 HE22 GLN 60 HE22 GLN 60 15.532 27.695 -9.678 1015 H GLU 61 HN GLU 61 20.483 23.822 -11.576 1016 HA GLU 61 HA GLU 61 21.709 24.916 -13.849 1017 HB2 GLU 61 HB2 GLU 61 21.797 22.153 -12.656 1018 HB3 GLU 61 HB1 GLU 61 22.825 22.677 -13.983 1019 HG2 GLU 61 HG2 GLU 61 22.730 24.096 -11.355 1020 HG3 GLU 61 HG1 GLU 61 23.823 22.753 -11.676 1021 H TYR 62 HN TYR 62 19.401 22.295 -13.416 1022 HA TYR 62 HA TYR 62 19.385 21.612 -16.180 1023 HB2 TYR 62 HB2 TYR 62 17.667 20.882 -13.849 1024 HB3 TYR 62 HB1 TYR 62 17.128 20.495 -15.481 1025 HD1 TYR 62 HD1 TYR 62 20.553 20.434 -14.008 1026 HD2 TYR 62 HD2 TYR 62 17.357 18.203 -15.700 1027 HE1 TYR 62 HE1 TYR 62 21.960 18.419 -13.987 1028 HE2 TYR 62 HE2 TYR 62 18.756 16.185 -15.693 1029 HH TYR 62 HH TYR 62 21.634 15.966 -13.964 1030 H ILE 63 HN ILE 63 17.413 23.693 -14.178 1031 HA ILE 63 HA ILE 63 15.492 24.290 -16.157 1032 HB ILE 63 HB ILE 63 16.412 25.744 -13.686 1033 HG12 ILE 63 HG12 ILE 63 13.775 24.470 -14.442 1034 HG13 ILE 63 HG11 ILE 63 15.000 23.754 -13.401 1035 HG21 ILE 63 HG21 ILE 63 15.850 27.475 -15.283 1036 HG22 ILE 63 HG22 ILE 63 14.633 27.389 -14.007 1037 HG23 ILE 63 HG23 ILE 63 14.293 26.707 -15.598 1038 HD11 ILE 63 HD11 ILE 63 14.674 25.572 -11.793 1039 HD12 ILE 63 HD12 ILE 63 13.187 24.674 -12.095 1040 HD13 ILE 63 HD13 ILE 63 13.427 26.256 -12.835 1041 H ASN 64 HN ASN 64 18.451 25.929 -15.175 1042 HA ASN 64 HA ASN 64 18.182 28.027 -17.041 1043 HB2 ASN 64 HB2 ASN 64 19.669 28.890 -15.608 1044 HB3 ASN 64 HB1 ASN 64 19.968 27.309 -14.906 1045 HD21 ASN 64 HD21 ASN 64 21.705 26.122 -15.597 1046 HD22 ASN 64 HD22 ASN 64 23.007 26.810 -16.497 1047 H TYR 65 HN TYR 65 19.600 24.852 -17.232 1048 HA TYR 65 HA TYR 65 20.935 25.472 -19.712 1049 HB2 TYR 65 HB2 TYR 65 21.792 23.724 -18.068 1050 HB3 TYR 65 HB1 TYR 65 20.446 22.722 -18.600 1051 HD1 TYR 65 HD1 TYR 65 23.616 24.266 -19.674 1052 HD2 TYR 65 HD2 TYR 65 20.447 21.636 -20.746 1053 HE1 TYR 65 HE1 TYR 65 24.926 23.481 -21.604 1054 HE2 TYR 65 HE2 TYR 65 21.749 20.842 -22.674 1055 HH TYR 65 HH TYR 65 23.584 21.725 -24.132 1056 H LEU 66 HN LEU 66 17.967 23.784 -18.716 1057 HA LEU 66 HA LEU 66 17.501 22.909 -21.398 1058 HB2 LEU 66 HB2 LEU 66 15.696 21.731 -20.637 1059 HB3 LEU 66 HB1 LEU 66 16.669 21.830 -19.191 1060 HG LEU 66 HG LEU 66 15.142 23.871 -18.618 1061 HD11 LEU 66 HD11 LEU 66 13.565 22.428 -20.735 1062 HD12 LEU 66 HD12 LEU 66 13.956 24.145 -20.651 1063 HD13 LEU 66 HD13 LEU 66 12.806 23.445 -19.515 1064 HD21 LEU 66 HD21 LEU 66 14.176 21.013 -18.530 1065 HD22 LEU 66 HD22 LEU 66 13.546 22.330 -17.545 1066 HD23 LEU 66 HD23 LEU 66 15.216 21.804 -17.345 1067 H GLU 67 HN GLU 67 16.609 25.707 -19.524 1068 HA GLU 67 HA GLU 67 14.551 26.618 -21.216 1069 HB2 GLU 67 HB2 GLU 67 14.851 28.804 -20.209 1070 HB3 GLU 67 HB1 GLU 67 15.016 27.575 -18.962 1071 HG2 GLU 67 HG2 GLU 67 17.320 27.865 -18.813 1072 HG3 GLU 67 HG1 GLU 67 17.400 28.741 -20.336 1073 H MET 68 HN MET 68 18.041 26.863 -21.386 1074 HA MET 68 HA MET 68 17.904 28.526 -23.771 1075 HB2 MET 68 HB2 MET 68 20.355 28.547 -23.680 1076 HB3 MET 68 HB1 MET 68 19.665 29.025 -22.139 1077 HG2 MET 68 HG2 MET 68 20.146 26.821 -21.215 1078 HG3 MET 68 HG1 MET 68 20.755 26.294 -22.787 1079 HE1 MET 68 HE1 MET 68 22.371 28.918 -23.748 1080 HE2 MET 68 HE2 MET 68 22.941 27.259 -23.924 1081 HE3 MET 68 HE3 MET 68 23.985 28.476 -23.192 1082 H SER 69 HN SER 69 18.043 25.250 -22.906 1083 HA SER 69 HA SER 69 18.240 23.309 -24.014 1084 HB2 SER 69 HB2 SER 69 17.381 25.022 -26.341 1085 HB3 SER 69 HB1 SER 69 17.288 23.260 -26.268 1086 HG SER 69 HG SER 69 16.104 24.357 -24.102 Start of MODEL 12 1 H1 MET 1 HT1 MET 1 0.742 8.442 -14.016 2 HA MET 1 HA MET 1 2.872 6.411 -14.219 3 HB2 MET 1 HB2 MET 1 2.409 8.926 -15.835 4 HB3 MET 1 HB1 MET 1 3.850 7.926 -15.921 5 HG2 MET 1 HG2 MET 1 2.491 6.054 -16.727 6 HG3 MET 1 HG1 MET 1 1.059 7.079 -16.661 7 HE1 MET 1 HE1 MET 1 0.743 9.260 -18.168 8 HE2 MET 1 HE2 MET 1 1.895 9.784 -19.395 9 HE3 MET 1 HE3 MET 1 2.317 9.897 -17.687 10 H SER 2 HN SER 2 3.932 6.683 -12.342 11 HA SER 2 HA SER 2 4.638 9.428 -11.584 12 HB2 SER 2 HB2 SER 2 3.243 8.206 -9.902 13 HB3 SER 2 HB1 SER 2 4.521 6.997 -9.774 14 HG SER 2 HG SER 2 4.467 9.671 -8.907 15 HA PRO 3 HA PRO 3 8.826 8.382 -12.565 16 HB2 PRO 3 HB2 PRO 3 10.081 10.171 -10.911 17 HB3 PRO 3 HB1 PRO 3 9.356 10.607 -12.462 18 HG2 PRO 3 HG2 PRO 3 8.242 10.902 -9.701 19 HG3 PRO 3 HG1 PRO 3 8.175 12.033 -11.065 20 HD2 PRO 3 HD2 PRO 3 6.082 10.496 -10.389 21 HD3 PRO 3 HD1 PRO 3 6.439 10.905 -12.080 22 H TYR 4 HN TYR 4 7.608 8.353 -9.300 23 HA TYR 4 HA TYR 4 8.827 6.021 -8.453 24 HB2 TYR 4 HB2 TYR 4 10.947 7.390 -8.690 25 HB3 TYR 4 HB1 TYR 4 10.345 8.428 -7.405 26 HD1 TYR 4 HD1 TYR 4 11.320 4.935 -8.179 27 HD2 TYR 4 HD2 TYR 4 10.710 7.858 -5.151 28 HE1 TYR 4 HE1 TYR 4 12.334 3.428 -6.531 29 HE2 TYR 4 HE2 TYR 4 11.723 6.356 -3.491 30 HH TYR 4 HH TYR 4 12.110 3.951 -3.185 31 H GLY 5 HN GLY 5 7.956 9.272 -7.506 32 HA2 GLY 5 HA2 GLY 5 5.707 8.789 -6.077 33 HA3 GLY 5 HA1 GLY 5 6.995 8.517 -4.906 34 H SER 6 HN SER 6 6.930 10.821 -7.551 35 HA SER 6 HA SER 6 6.538 13.058 -5.779 36 HB2 SER 6 HB2 SER 6 9.152 12.764 -7.289 37 HB3 SER 6 HB1 SER 6 8.666 14.147 -6.310 38 HG SER 6 HG SER 6 8.418 12.013 -4.784 39 H ASP 7 HN ASP 7 4.720 13.243 -7.181 40 HA ASP 7 HA ASP 7 5.320 14.817 -9.522 41 HB2 ASP 7 HB2 ASP 7 3.892 13.537 -11.033 42 HB3 ASP 7 HB1 ASP 7 5.201 12.526 -10.440 43 H THR 8 HN THR 8 2.981 15.341 -10.555 44 HA THR 8 HA THR 8 1.818 17.105 -8.813 45 HB THR 8 HB THR 8 -0.222 16.731 -10.520 46 HG1 THR 8 HG1 THR 8 0.653 14.944 -11.567 47 HG21 THR 8 HG21 THR 8 2.421 18.039 -11.182 48 HG22 THR 8 HG22 THR 8 1.110 18.774 -10.258 49 HG23 THR 8 HG23 THR 8 0.878 18.385 -11.963 50 H THR 9 HN THR 9 0.927 16.666 -6.964 51 HA THR 9 HA THR 9 -0.728 14.287 -6.667 52 HB THR 9 HB THR 9 0.308 16.180 -4.547 53 HG1 THR 9 HG1 THR 9 1.860 14.857 -5.948 54 HG21 THR 9 HG21 THR 9 -0.145 14.310 -3.027 55 HG22 THR 9 HG22 THR 9 -0.759 13.356 -4.377 56 HG23 THR 9 HG23 THR 9 -1.615 14.809 -3.863 57 HA PRO 10 HA PRO 10 -4.220 17.009 -7.018 58 HB2 PRO 10 HB2 PRO 10 -5.841 14.669 -6.370 59 HB3 PRO 10 HB1 PRO 10 -5.741 15.582 -7.875 60 HG2 PRO 10 HG2 PRO 10 -4.786 13.048 -7.601 61 HG3 PRO 10 HG1 PRO 10 -4.150 14.224 -8.763 62 HD2 PRO 10 HD2 PRO 10 -3.049 13.367 -6.130 63 HD3 PRO 10 HD1 PRO 10 -2.209 13.785 -7.640 64 H CYS 11 HN CYS 11 -4.402 18.304 -5.326 65 HA CYS 11 HA CYS 11 -5.464 17.181 -2.833 66 HB2 CYS 11 HB2 CYS 11 -2.966 17.757 -2.743 67 HB3 CYS 11 HB1 CYS 11 -3.454 19.436 -2.926 68 H CYS 12 HN CYS 12 -6.383 19.086 -1.476 69 HA CYS 12 HA CYS 12 -7.132 21.453 -2.820 70 HB2 CYS 12 HB2 CYS 12 -9.565 20.983 -3.021 71 HB3 CYS 12 HB1 CYS 12 -8.580 20.021 -4.117 72 H PHE 13 HN PHE 13 -8.865 22.619 -1.615 73 HA PHE 13 HA PHE 13 -9.621 21.909 1.015 74 HB2 PHE 13 HB2 PHE 13 -7.281 22.343 1.564 75 HB3 PHE 13 HB1 PHE 13 -7.335 23.899 0.744 76 HD1 PHE 13 HD1 PHE 13 -8.570 22.002 3.665 77 HD2 PHE 13 HD2 PHE 13 -8.104 25.835 1.877 78 HE1 PHE 13 HE1 PHE 13 -9.192 23.070 5.791 79 HE2 PHE 13 HE2 PHE 13 -8.728 26.906 3.999 80 HZ PHE 13 HZ PHE 13 -9.273 25.524 5.958 81 H ALA 14 HN ALA 14 -11.595 22.534 0.197 82 HA ALA 14 HA ALA 14 -12.406 25.167 0.593 83 HB1 ALA 14 HB1 ALA 14 -11.235 25.665 -1.497 84 HB2 ALA 14 HB2 ALA 14 -12.979 25.817 -1.716 85 HB3 ALA 14 HB3 ALA 14 -12.135 24.391 -2.318 86 H TYR 15 HN TYR 15 -14.709 25.412 -0.418 87 HA TYR 15 HA TYR 15 -16.070 22.953 -0.948 88 HB2 TYR 15 HB2 TYR 15 -17.582 23.118 1.032 89 HB3 TYR 15 HB1 TYR 15 -15.924 22.706 1.451 90 HD1 TYR 15 HD1 TYR 15 -18.279 25.587 1.273 91 HD2 TYR 15 HD2 TYR 15 -14.779 23.965 3.065 92 HE1 TYR 15 HE1 TYR 15 -18.240 27.449 2.862 93 HE2 TYR 15 HE2 TYR 15 -14.730 25.832 4.664 94 HH TYR 15 HH TYR 15 -15.554 28.072 4.908 95 H LEU 16 HN LEU 16 -18.524 23.420 -0.921 96 HA LEU 16 HA LEU 16 -19.062 26.181 -1.704 97 HB2 LEU 16 HB2 LEU 16 -19.267 23.749 -3.341 98 HB3 LEU 16 HB1 LEU 16 -20.660 24.810 -3.394 99 HG LEU 16 HG LEU 16 -17.903 25.851 -3.857 100 HD11 LEU 16 HD11 LEU 16 -19.806 24.701 -5.906 101 HD12 LEU 16 HD12 LEU 16 -18.240 24.026 -5.456 102 HD13 LEU 16 HD13 LEU 16 -18.325 25.583 -6.281 103 HD21 LEU 16 HD21 LEU 16 -19.611 27.492 -3.428 104 HD22 LEU 16 HD22 LEU 16 -20.641 26.787 -4.674 105 HD23 LEU 16 HD23 LEU 16 -19.125 27.569 -5.122 106 H SER 17 HN SER 17 -21.088 26.862 -1.412 107 HA SER 17 HA SER 17 -22.642 25.303 0.503 108 HB2 SER 17 HB2 SER 17 -22.956 28.155 -0.457 109 HB3 SER 17 HB1 SER 17 -23.947 27.400 0.793 110 HG SER 17 HG SER 17 -21.296 28.263 0.870 111 H LEU 18 HN LEU 18 -22.714 26.509 -2.746 112 HA LEU 18 HA LEU 18 -25.433 25.661 -3.240 113 HB2 LEU 18 HB2 LEU 18 -23.271 26.612 -5.122 114 HB3 LEU 18 HB1 LEU 18 -24.939 26.320 -5.569 115 HG LEU 18 HG LEU 18 -24.072 28.392 -3.559 116 HD11 LEU 18 HD11 LEU 18 -23.185 28.944 -5.741 117 HD12 LEU 18 HD12 LEU 18 -24.520 30.021 -5.334 118 HD13 LEU 18 HD13 LEU 18 -24.769 28.697 -6.471 119 HD21 LEU 18 HD21 LEU 18 -26.343 29.261 -3.888 120 HD22 LEU 18 HD22 LEU 18 -26.355 27.620 -3.245 121 HD23 LEU 18 HD23 LEU 18 -26.703 27.900 -4.951 122 H ALA 19 HN ALA 19 -24.494 23.510 -2.302 123 HA ALA 19 HA ALA 19 -22.921 21.804 -3.842 124 HB1 ALA 19 HB1 ALA 19 -23.488 21.385 -1.488 125 HB2 ALA 19 HB2 ALA 19 -23.867 19.994 -2.503 126 HB3 ALA 19 HB3 ALA 19 -25.158 21.060 -1.951 127 H LEU 20 HN LEU 20 -23.260 20.786 -5.680 128 HA LEU 20 HA LEU 20 -25.666 21.104 -7.126 129 HB2 LEU 20 HB2 LEU 20 -24.559 19.512 -8.764 130 HB3 LEU 20 HB1 LEU 20 -23.720 21.010 -8.435 131 HG LEU 20 HG LEU 20 -22.386 19.534 -6.708 132 HD11 LEU 20 HD11 LEU 20 -23.324 17.467 -8.687 133 HD12 LEU 20 HD12 LEU 20 -23.724 17.522 -6.971 134 HD13 LEU 20 HD13 LEU 20 -22.058 17.246 -7.479 135 HD21 LEU 20 HD21 LEU 20 -21.412 20.692 -8.604 136 HD22 LEU 20 HD22 LEU 20 -21.949 19.405 -9.685 137 HD23 LEU 20 HD23 LEU 20 -20.734 19.071 -8.451 138 HA PRO 21 HA PRO 21 -28.301 17.978 -5.584 139 HB2 PRO 21 HB2 PRO 21 -29.261 17.132 -8.110 140 HB3 PRO 21 HB1 PRO 21 -29.999 18.319 -7.033 141 HG2 PRO 21 HG2 PRO 21 -28.265 18.733 -9.406 142 HG3 PRO 21 HG1 PRO 21 -29.557 19.759 -8.763 143 HD2 PRO 21 HD2 PRO 21 -26.975 20.407 -8.484 144 HD3 PRO 21 HD1 PRO 21 -28.160 20.752 -7.206 145 H ARG 22 HN ARG 22 -28.569 15.770 -5.413 146 HA ARG 22 HA ARG 22 -26.235 14.238 -5.735 147 HB2 ARG 22 HB2 ARG 22 -29.049 13.335 -5.116 148 HB3 ARG 22 HB1 ARG 22 -27.603 12.356 -4.911 149 HG2 ARG 22 HG2 ARG 22 -26.758 13.886 -3.241 150 HG3 ARG 22 HG1 ARG 22 -28.135 14.957 -3.491 151 HD2 ARG 22 HD2 ARG 22 -28.258 12.123 -2.469 152 HD3 ARG 22 HD1 ARG 22 -28.400 13.579 -1.487 153 HE ARG 22 HE ARG 22 -30.321 12.981 -3.638 154 HH11 ARG 22 HH11 ARG 22 -29.659 13.731 -0.257 155 HH12 ARG 22 HH12 ARG 22 -31.321 13.929 0.149 156 HH21 ARG 22 HH21 ARG 22 -32.523 13.220 -3.080 157 HH22 ARG 22 HH22 ARG 22 -32.960 13.631 -1.459 158 H ALA 23 HN ALA 23 -28.895 14.765 -7.843 159 HA ALA 23 HA ALA 23 -28.460 12.428 -9.464 160 HB1 ALA 23 HB1 ALA 23 -30.070 13.449 -10.986 161 HB2 ALA 23 HB2 ALA 23 -29.999 14.948 -10.061 162 HB3 ALA 23 HB3 ALA 23 -30.662 13.488 -9.324 163 H HIS 24 HN HIS 24 -26.930 15.427 -9.117 164 HA HIS 24 HA HIS 24 -25.922 15.511 -11.845 165 HB2 HIS 24 HB2 HIS 24 -25.776 17.346 -9.480 166 HB3 HIS 24 HB1 HIS 24 -24.649 17.538 -10.813 167 HD1 HIS 24 HD1 HIS 24 -25.751 19.908 -11.248 168 HD2 HIS 24 HD2 HIS 24 -28.296 16.658 -11.782 169 HE1 HIS 24 HE1 HIS 24 -27.739 20.809 -12.478 170 H VAL 25 HN VAL 25 -25.013 14.497 -8.666 171 HA VAL 25 HA VAL 25 -22.210 14.327 -9.372 172 HB VAL 25 HB VAL 25 -23.078 14.953 -7.029 173 HG11 VAL 25 HG11 VAL 25 -23.379 11.967 -6.808 174 HG12 VAL 25 HG12 VAL 25 -24.693 13.145 -6.768 175 HG13 VAL 25 HG13 VAL 25 -23.484 13.125 -5.481 176 HG21 VAL 25 HG21 VAL 25 -21.001 12.787 -7.290 177 HG22 VAL 25 HG22 VAL 25 -21.188 13.886 -5.921 178 HG23 VAL 25 HG23 VAL 25 -20.738 14.518 -7.505 179 H LYS 26 HN LYS 26 -21.060 12.381 -9.513 180 HA LYS 26 HA LYS 26 -22.755 10.083 -10.174 181 HB2 LYS 26 HB2 LYS 26 -21.378 11.073 -12.014 182 HB3 LYS 26 HB1 LYS 26 -19.937 10.657 -11.101 183 HG2 LYS 26 HG2 LYS 26 -20.368 8.324 -11.341 184 HG3 LYS 26 HG1 LYS 26 -21.965 8.636 -12.022 185 HD2 LYS 26 HD2 LYS 26 -20.484 8.082 -13.826 186 HD3 LYS 26 HD1 LYS 26 -20.854 9.801 -13.926 187 HE2 LYS 26 HE2 LYS 26 -18.521 9.540 -14.334 188 HE3 LYS 26 HE1 LYS 26 -18.703 10.253 -12.734 189 HZ1 LYS 26 HZ1 LYS 26 -18.269 8.106 -11.730 190 HZ2 LYS 26 HZ2 LYS 26 -17.039 8.446 -12.833 191 HZ3 LYS 26 HZ3 LYS 26 -18.256 7.361 -13.246 192 H GLU 27 HN GLU 27 -19.920 11.160 -8.391 193 HA GLU 27 HA GLU 27 -20.193 9.100 -6.471 194 HB2 GLU 27 HB2 GLU 27 -18.100 7.898 -6.885 195 HB3 GLU 27 HB1 GLU 27 -19.195 7.743 -8.254 196 HG2 GLU 27 HG2 GLU 27 -17.941 9.567 -9.367 197 HG3 GLU 27 HG1 GLU 27 -16.779 9.499 -8.038 198 H TYR 28 HN TYR 28 -18.109 9.064 -5.042 199 HA TYR 28 HA TYR 28 -16.880 11.721 -4.960 200 HB2 TYR 28 HB2 TYR 28 -17.356 12.087 -2.700 201 HB3 TYR 28 HB1 TYR 28 -18.852 11.374 -3.281 202 HD1 TYR 28 HD1 TYR 28 -15.980 10.987 -1.091 203 HD2 TYR 28 HD2 TYR 28 -19.432 9.024 -2.631 204 HE1 TYR 28 HE1 TYR 28 -15.807 9.303 0.684 205 HE2 TYR 28 HE2 TYR 28 -19.269 7.328 -0.843 206 HH TYR 28 HH TYR 28 -17.169 7.702 1.852 207 H PHE 29 HN PHE 29 -14.859 11.758 -3.798 208 HA PHE 29 HA PHE 29 -13.628 9.188 -3.217 209 HB2 PHE 29 HB2 PHE 29 -13.292 9.557 -5.659 210 HB3 PHE 29 HB1 PHE 29 -12.502 11.085 -5.301 211 HD1 PHE 29 HD1 PHE 29 -12.200 7.615 -3.953 212 HD2 PHE 29 HD2 PHE 29 -10.253 10.970 -5.700 213 HE1 PHE 29 HE1 PHE 29 -10.047 6.440 -3.799 214 HE2 PHE 29 HE2 PHE 29 -8.095 9.800 -5.549 215 HZ PHE 29 HZ PHE 29 -7.993 7.531 -4.597 216 H TYR 30 HN TYR 30 -11.594 9.456 -2.052 217 HA TYR 30 HA TYR 30 -11.581 11.959 -0.551 218 HB2 TYR 30 HB2 TYR 30 -10.312 9.272 -0.025 219 HB3 TYR 30 HB1 TYR 30 -9.987 10.692 0.962 220 HD1 TYR 30 HD1 TYR 30 -12.374 8.053 0.191 221 HD2 TYR 30 HD2 TYR 30 -11.787 11.683 2.324 222 HE1 TYR 30 HE1 TYR 30 -14.362 7.566 1.558 223 HE2 TYR 30 HE2 TYR 30 -13.771 11.209 3.697 224 HH TYR 30 HH TYR 30 -15.775 9.917 3.656 225 H THR 31 HN THR 31 -9.641 13.121 -0.138 226 HA THR 31 HA THR 31 -8.046 13.485 -2.430 227 HB THR 31 HB THR 31 -6.649 14.935 -0.820 228 HG1 THR 31 HG1 THR 31 -7.308 15.080 1.199 229 HG21 THR 31 HG21 THR 31 -8.305 16.705 -0.907 230 HG22 THR 31 HG22 THR 31 -9.583 15.524 -1.195 231 HG23 THR 31 HG23 THR 31 -8.328 15.781 -2.408 232 H SER 32 HN SER 32 -5.606 13.674 -2.223 233 HA SER 32 HA SER 32 -4.520 11.109 -1.975 234 HB2 SER 32 HB2 SER 32 -3.062 13.754 -2.035 235 HB3 SER 32 HB1 SER 32 -2.408 12.179 -2.486 236 HG SER 32 HG SER 32 -4.045 13.895 -3.900 237 H SER 33 HN SER 33 -3.278 10.154 -0.416 238 HA SER 33 HA SER 33 -3.691 11.000 2.275 239 HB2 SER 33 HB2 SER 33 -1.853 8.828 1.260 240 HB3 SER 33 HB1 SER 33 -2.535 8.975 2.881 241 HG SER 33 HG SER 33 -4.634 8.977 1.479 242 H LYS 34 HN LYS 34 -1.365 11.771 -0.048 243 HA LYS 34 HA LYS 34 0.856 12.189 1.738 244 HB2 LYS 34 HB2 LYS 34 0.436 13.195 -1.083 245 HB3 LYS 34 HB1 LYS 34 1.954 13.214 -0.198 246 HG2 LYS 34 HG2 LYS 34 0.436 10.745 -1.022 247 HG3 LYS 34 HG1 LYS 34 1.865 11.398 -1.824 248 HD2 LYS 34 HD2 LYS 34 3.163 11.060 0.229 249 HD3 LYS 34 HD1 LYS 34 1.732 10.398 1.023 250 HE2 LYS 34 HE2 LYS 34 3.182 8.605 0.250 251 HE3 LYS 34 HE1 LYS 34 1.658 8.595 -0.634 252 HZ1 LYS 34 HZ1 LYS 34 2.774 9.736 -2.462 253 HZ2 LYS 34 HZ2 LYS 34 3.511 8.260 -2.116 254 HZ3 LYS 34 HZ3 LYS 34 4.235 9.696 -1.613 255 H CYS 35 HN CYS 35 -1.974 13.861 1.074 256 HA CYS 35 HA CYS 35 -0.877 16.503 1.540 257 HB2 CYS 35 HB2 CYS 35 -3.734 15.604 1.129 258 HB3 CYS 35 HB1 CYS 35 -3.176 17.274 1.177 259 H SER 36 HN SER 36 -1.753 17.880 3.236 260 HA SER 36 HA SER 36 -2.041 16.397 5.721 261 HB2 SER 36 HB2 SER 36 -1.704 18.656 6.758 262 HB3 SER 36 HB1 SER 36 -0.376 18.137 5.720 263 HG SER 36 HG SER 36 -0.827 19.675 4.337 264 H ASN 37 HN ASN 37 -4.142 17.250 3.489 265 HA ASN 37 HA ASN 37 -6.201 17.970 5.447 266 HB2 ASN 37 HB2 ASN 37 -5.704 19.931 4.056 267 HB3 ASN 37 HB1 ASN 37 -6.021 18.982 2.605 268 HD21 ASN 37 HD21 ASN 37 -7.770 20.054 1.844 269 HD22 ASN 37 HD22 ASN 37 -9.273 20.160 2.692 270 H LEU 38 HN LEU 38 -7.797 16.576 5.539 271 HA LEU 38 HA LEU 38 -8.124 14.646 3.397 272 HB2 LEU 38 HB2 LEU 38 -8.152 13.972 5.838 273 HB3 LEU 38 HB1 LEU 38 -9.652 14.856 6.003 274 HG LEU 38 HG LEU 38 -9.917 12.372 5.788 275 HD11 LEU 38 HD11 LEU 38 -11.252 14.007 3.673 276 HD12 LEU 38 HD12 LEU 38 -11.781 13.777 5.342 277 HD13 LEU 38 HD13 LEU 38 -11.767 12.413 4.228 278 HD21 LEU 38 HD21 LEU 38 -9.041 12.842 2.945 279 HD22 LEU 38 HD22 LEU 38 -9.671 11.332 3.603 280 HD23 LEU 38 HD23 LEU 38 -8.127 11.965 4.172 281 H ALA 39 HN ALA 39 -9.397 15.139 1.798 282 HA ALA 39 HA ALA 39 -11.840 16.626 2.331 283 HB1 ALA 39 HB1 ALA 39 -10.213 18.274 1.543 284 HB2 ALA 39 HB2 ALA 39 -11.508 18.040 0.369 285 HB3 ALA 39 HB3 ALA 39 -9.930 17.302 0.099 286 H VAL 40 HN VAL 40 -13.241 16.566 0.235 287 HA VAL 40 HA VAL 40 -12.850 13.942 -0.999 288 HB VAL 40 HB VAL 40 -15.339 13.706 -1.122 289 HG11 VAL 40 HG11 VAL 40 -14.113 13.840 1.620 290 HG12 VAL 40 HG12 VAL 40 -14.040 12.477 0.499 291 HG13 VAL 40 HG13 VAL 40 -15.585 12.964 1.197 292 HG21 VAL 40 HG21 VAL 40 -15.926 16.044 -0.771 293 HG22 VAL 40 HG22 VAL 40 -15.300 15.958 0.878 294 HG23 VAL 40 HG23 VAL 40 -16.709 15.000 0.413 295 H VAL 41 HN VAL 41 -13.285 13.715 -3.051 296 HA VAL 41 HA VAL 41 -13.797 16.159 -4.583 297 HB VAL 41 HB VAL 41 -12.401 13.643 -5.516 298 HG11 VAL 41 HG11 VAL 41 -11.684 15.034 -7.394 299 HG12 VAL 41 HG12 VAL 41 -12.630 16.379 -6.756 300 HG13 VAL 41 HG13 VAL 41 -13.441 14.910 -7.303 301 HG21 VAL 41 HG21 VAL 41 -11.067 14.719 -3.783 302 HG22 VAL 41 HG22 VAL 41 -11.184 16.260 -4.630 303 HG23 VAL 41 HG23 VAL 41 -10.308 14.917 -5.362 304 H PHE 42 HN PHE 42 -15.699 16.209 -5.522 305 HA PHE 42 HA PHE 42 -17.192 13.721 -5.848 306 HB2 PHE 42 HB2 PHE 42 -18.031 16.612 -5.925 307 HB3 PHE 42 HB1 PHE 42 -19.114 15.285 -6.321 308 HD1 PHE 42 HD1 PHE 42 -17.486 17.147 -3.695 309 HD2 PHE 42 HD2 PHE 42 -19.722 13.638 -4.571 310 HE1 PHE 42 HE1 PHE 42 -17.999 16.880 -1.310 311 HE2 PHE 42 HE2 PHE 42 -20.246 13.369 -2.189 312 HZ PHE 42 HZ PHE 42 -19.389 14.991 -0.552 313 H VAL 43 HN VAL 43 -17.437 12.810 -7.715 314 HA VAL 43 HA VAL 43 -16.561 14.242 -10.112 315 HB VAL 43 HB VAL 43 -17.197 11.302 -9.783 316 HG11 VAL 43 HG11 VAL 43 -17.378 12.104 -12.074 317 HG12 VAL 43 HG12 VAL 43 -15.995 11.026 -11.884 318 HG13 VAL 43 HG13 VAL 43 -15.747 12.773 -11.977 319 HG21 VAL 43 HG21 VAL 43 -14.513 12.676 -9.730 320 HG22 VAL 43 HG22 VAL 43 -14.769 10.932 -9.743 321 HG23 VAL 43 HG23 VAL 43 -15.310 11.893 -8.367 322 H THR 44 HN THR 44 -18.106 15.145 -11.273 323 HA THR 44 HA THR 44 -20.870 14.540 -10.771 324 HB THR 44 HB THR 44 -21.336 16.295 -12.455 325 HG1 THR 44 HG1 THR 44 -18.546 16.745 -12.561 326 HG21 THR 44 HG21 THR 44 -20.953 16.919 -10.113 327 HG22 THR 44 HG22 THR 44 -20.347 18.159 -11.213 328 HG23 THR 44 HG23 THR 44 -19.223 17.045 -10.435 329 H ARG 45 HN ARG 45 -22.379 14.328 -12.667 330 HA ARG 45 HA ARG 45 -21.794 11.981 -14.153 331 HB2 ARG 45 HB2 ARG 45 -23.996 14.028 -14.489 332 HB3 ARG 45 HB1 ARG 45 -23.956 12.461 -15.282 333 HG2 ARG 45 HG2 ARG 45 -23.909 12.745 -12.299 334 HG3 ARG 45 HG1 ARG 45 -25.411 12.693 -13.223 335 HD2 ARG 45 HD2 ARG 45 -24.831 10.522 -14.107 336 HD3 ARG 45 HD1 ARG 45 -23.264 10.580 -13.304 337 HE ARG 45 HE ARG 45 -24.265 9.947 -11.361 338 HH11 ARG 45 HH11 ARG 45 -26.781 11.004 -13.572 339 HH12 ARG 45 HH12 ARG 45 -28.067 10.476 -12.544 340 HH21 ARG 45 HH21 ARG 45 -25.958 9.246 -10.032 341 HH22 ARG 45 HH22 ARG 45 -27.599 9.469 -10.528 342 H ARG 46 HN ARG 46 -21.204 15.269 -14.631 343 HA ARG 46 HA ARG 46 -20.929 15.130 -17.512 344 HB2 ARG 46 HB2 ARG 46 -21.844 17.130 -16.310 345 HB3 ARG 46 HB1 ARG 46 -20.265 17.371 -15.588 346 HG2 ARG 46 HG2 ARG 46 -19.304 17.806 -17.771 347 HG3 ARG 46 HG1 ARG 46 -20.860 17.473 -18.540 348 HD2 ARG 46 HD2 ARG 46 -21.870 19.341 -17.393 349 HD3 ARG 46 HD1 ARG 46 -20.382 19.637 -16.500 350 HE ARG 46 HE ARG 46 -19.781 19.773 -19.216 351 HH11 ARG 46 HH11 ARG 46 -21.762 21.498 -16.890 352 HH12 ARG 46 HH12 ARG 46 -21.576 23.033 -17.669 353 HH21 ARG 46 HH21 ARG 46 -19.526 21.812 -20.249 354 HH22 ARG 46 HH22 ARG 46 -20.299 23.212 -19.585 355 H ASN 47 HN ASN 47 -19.207 13.913 -15.112 356 HA ASN 47 HA ASN 47 -17.109 13.139 -14.840 357 HB2 ASN 47 HB2 ASN 47 -16.836 14.051 -17.702 358 HB3 ASN 47 HB1 ASN 47 -15.506 13.303 -16.824 359 HD21 ASN 47 HD21 ASN 47 -18.645 12.816 -18.226 360 HD22 ASN 47 HD22 ASN 47 -18.626 11.094 -18.176 361 H ARG 48 HN ARG 48 -17.908 15.983 -14.372 362 HA ARG 48 HA ARG 48 -15.264 17.247 -14.344 363 HB2 ARG 48 HB2 ARG 48 -17.021 18.666 -15.208 364 HB3 ARG 48 HB1 ARG 48 -18.039 18.330 -13.816 365 HG2 ARG 48 HG2 ARG 48 -16.473 19.518 -12.373 366 HG3 ARG 48 HG1 ARG 48 -15.432 19.838 -13.762 367 HD2 ARG 48 HD2 ARG 48 -18.299 20.731 -13.556 368 HD3 ARG 48 HD1 ARG 48 -16.920 21.735 -13.113 369 HE ARG 48 HE ARG 48 -16.335 20.987 -15.634 370 HH11 ARG 48 HH11 ARG 48 -19.234 22.343 -14.226 371 HH12 ARG 48 HH12 ARG 48 -19.626 23.296 -15.613 372 HH21 ARG 48 HH21 ARG 48 -16.851 22.230 -17.493 373 HH22 ARG 48 HH22 ARG 48 -18.260 23.232 -17.483 374 H GLN 49 HN GLN 49 -14.217 17.660 -12.444 375 HA GLN 49 HA GLN 49 -15.391 16.352 -10.111 376 HB2 GLN 49 HB2 GLN 49 -12.526 17.023 -10.738 377 HB3 GLN 49 HB1 GLN 49 -13.085 16.259 -9.255 378 HG2 GLN 49 HG2 GLN 49 -13.926 14.367 -10.544 379 HG3 GLN 49 HG1 GLN 49 -13.361 15.129 -12.028 380 HE21 GLN 49 HE21 GLN 49 -11.586 15.346 -9.071 381 HE22 GLN 49 HE22 GLN 49 -10.274 14.322 -9.550 382 H VAL 50 HN VAL 50 -15.124 17.259 -8.040 383 HA VAL 50 HA VAL 50 -14.444 20.076 -7.819 384 HB VAL 50 HB VAL 50 -16.889 19.972 -8.391 385 HG11 VAL 50 HG11 VAL 50 -17.412 17.850 -7.405 386 HG12 VAL 50 HG12 VAL 50 -18.474 19.112 -6.770 387 HG13 VAL 50 HG13 VAL 50 -17.133 18.507 -5.792 388 HG21 VAL 50 HG21 VAL 50 -16.027 21.846 -7.094 389 HG22 VAL 50 HG22 VAL 50 -16.265 20.936 -5.602 390 HG23 VAL 50 HG23 VAL 50 -17.658 21.427 -6.567 391 H CYS 51 HN CYS 51 -13.915 20.636 -5.650 392 HA CYS 51 HA CYS 51 -13.642 18.305 -3.875 393 HB2 CYS 51 HB2 CYS 51 -11.943 20.773 -4.149 394 HB3 CYS 51 HB1 CYS 51 -11.788 19.633 -2.818 395 H ALA 52 HN ALA 52 -14.190 18.453 -1.751 396 HA ALA 52 HA ALA 52 -15.070 20.991 -0.656 397 HB1 ALA 52 HB1 ALA 52 -17.252 20.147 0.018 398 HB2 ALA 52 HB2 ALA 52 -16.928 18.617 -0.795 399 HB3 ALA 52 HB3 ALA 52 -17.090 20.100 -1.738 400 H ASN 53 HN ASN 53 -15.086 21.005 1.605 401 HA ASN 53 HA ASN 53 -13.446 18.976 2.794 402 HB2 ASN 53 HB2 ASN 53 -14.794 21.353 4.113 403 HB3 ASN 53 HB1 ASN 53 -13.556 20.340 4.842 404 HD21 ASN 53 HD21 ASN 53 -11.389 20.478 4.016 405 HD22 ASN 53 HD22 ASN 53 -10.872 21.888 3.163 406 HA PRO 54 HA PRO 54 -16.825 16.303 3.969 407 HB2 PRO 54 HB2 PRO 54 -15.401 14.692 5.611 408 HB3 PRO 54 HB1 PRO 54 -15.179 14.663 3.854 409 HG2 PRO 54 HG2 PRO 54 -13.633 16.187 5.917 410 HG3 PRO 54 HG1 PRO 54 -13.011 15.086 4.664 411 HD2 PRO 54 HD2 PRO 54 -12.959 17.687 4.254 412 HD3 PRO 54 HD1 PRO 54 -13.498 16.597 2.954 413 H GLU 55 HN GLU 55 -15.927 18.777 5.706 414 HA GLU 55 HA GLU 55 -16.866 17.787 8.279 415 HB2 GLU 55 HB2 GLU 55 -15.575 20.400 7.521 416 HB3 GLU 55 HB1 GLU 55 -16.103 19.974 9.144 417 HG2 GLU 55 HG2 GLU 55 -14.536 18.166 9.236 418 HG3 GLU 55 HG1 GLU 55 -14.068 18.440 7.560 419 H LYS 56 HN LYS 56 -18.129 19.101 5.559 420 HA LYS 56 HA LYS 56 -20.089 20.748 6.960 421 HB2 LYS 56 HB2 LYS 56 -19.518 20.348 4.036 422 HB3 LYS 56 HB1 LYS 56 -20.917 21.237 4.612 423 HG2 LYS 56 HG2 LYS 56 -19.383 22.774 5.810 424 HG3 LYS 56 HG1 LYS 56 -18.023 21.915 5.086 425 HD2 LYS 56 HD2 LYS 56 -18.454 23.873 3.772 426 HD3 LYS 56 HD1 LYS 56 -18.958 22.464 2.841 427 HE2 LYS 56 HE2 LYS 56 -20.591 24.263 2.648 428 HE3 LYS 56 HE1 LYS 56 -21.290 22.876 3.478 429 HZ1 LYS 56 HZ1 LYS 56 -21.051 23.990 5.566 430 HZ2 LYS 56 HZ2 LYS 56 -21.819 25.053 4.505 431 HZ3 LYS 56 HZ3 LYS 56 -20.189 25.260 4.867 432 H LYS 57 HN LYS 57 -22.187 20.303 7.130 433 HA LYS 57 HA LYS 57 -23.064 17.697 7.370 434 HB2 LYS 57 HB2 LYS 57 -24.155 19.493 8.536 435 HB3 LYS 57 HB1 LYS 57 -24.607 20.268 7.028 436 HG2 LYS 57 HG2 LYS 57 -26.526 19.210 8.047 437 HG3 LYS 57 HG1 LYS 57 -26.121 18.404 6.532 438 HD2 LYS 57 HD2 LYS 57 -25.024 16.613 7.754 439 HD3 LYS 57 HD1 LYS 57 -25.343 17.437 9.282 440 HE2 LYS 57 HE2 LYS 57 -27.729 17.214 8.933 441 HE3 LYS 57 HE1 LYS 57 -27.453 16.469 7.361 442 HZ1 LYS 57 HZ1 LYS 57 -27.931 14.840 9.083 443 HZ2 LYS 57 HZ2 LYS 57 -26.576 15.336 9.959 444 HZ3 LYS 57 HZ3 LYS 57 -26.388 14.619 8.441 445 H TRP 58 HN TRP 58 -23.580 19.946 4.676 446 HA TRP 58 HA TRP 58 -25.331 18.251 3.249 447 HB2 TRP 58 HB2 TRP 58 -23.566 20.499 2.264 448 HB3 TRP 58 HB1 TRP 58 -24.779 19.689 1.277 449 HD1 TRP 58 HD1 TRP 58 -24.385 22.652 3.354 450 HE1 TRP 58 HE1 TRP 58 -26.662 23.630 4.043 451 HE3 TRP 58 HE3 TRP 58 -27.376 18.692 2.123 452 HZ2 TRP 58 HZ2 TRP 58 -29.368 22.833 4.061 453 HZ3 TRP 58 HZ3 TRP 58 -29.798 18.882 2.508 454 HH2 TRP 58 HH2 TRP 58 -30.772 20.910 3.458 455 H VAL 59 HN VAL 59 -21.863 18.592 3.299 456 HA VAL 59 HA VAL 59 -21.320 17.006 1.018 457 HB VAL 59 HB VAL 59 -19.594 17.546 3.455 458 HG11 VAL 59 HG11 VAL 59 -18.826 15.580 2.232 459 HG12 VAL 59 HG12 VAL 59 -17.702 16.926 2.038 460 HG13 VAL 59 HG13 VAL 59 -18.814 16.511 0.734 461 HG21 VAL 59 HG21 VAL 59 -18.540 19.265 2.087 462 HG22 VAL 59 HG22 VAL 59 -20.270 19.576 2.257 463 HG23 VAL 59 HG23 VAL 59 -19.639 18.896 0.758 464 H GLN 60 HN GLN 60 -21.664 16.362 4.439 465 HA GLN 60 HA GLN 60 -20.983 13.619 4.312 466 HB2 GLN 60 HB2 GLN 60 -22.565 15.167 6.359 467 HB3 GLN 60 HB1 GLN 60 -21.981 13.520 6.572 468 HG2 GLN 60 HG2 GLN 60 -20.240 15.916 6.081 469 HG3 GLN 60 HG1 GLN 60 -20.559 15.215 7.661 470 HE21 GLN 60 HE21 GLN 60 -18.939 14.834 4.628 471 HE22 GLN 60 HE22 GLN 60 -17.909 13.529 5.102 472 H GLU 61 HN GLU 61 -24.012 15.423 4.126 473 HA GLU 61 HA GLU 61 -25.720 13.211 4.124 474 HB2 GLU 61 HB2 GLU 61 -25.964 15.968 2.964 475 HB3 GLU 61 HB1 GLU 61 -27.269 14.789 2.900 476 HG2 GLU 61 HG2 GLU 61 -25.948 15.736 5.414 477 HG3 GLU 61 HG1 GLU 61 -27.446 16.386 4.761 478 H TYR 62 HN TYR 62 -24.136 14.973 1.526 479 HA TYR 62 HA TYR 62 -25.314 13.416 -0.534 480 HB2 TYR 62 HB2 TYR 62 -22.966 15.274 -0.439 481 HB3 TYR 62 HB1 TYR 62 -23.266 14.299 -1.875 482 HD1 TYR 62 HD1 TYR 62 -25.242 16.461 0.456 483 HD2 TYR 62 HD2 TYR 62 -24.441 15.329 -3.554 484 HE1 TYR 62 HE1 TYR 62 -26.857 18.141 -0.327 485 HE2 TYR 62 HE2 TYR 62 -26.055 17.001 -4.351 486 HH TYR 62 HH TYR 62 -27.212 19.477 -2.477 487 H ILE 63 HN ILE 63 -22.302 13.171 1.254 488 HA ILE 63 HA ILE 63 -21.235 11.003 -0.213 489 HB ILE 63 HB ILE 63 -20.773 11.935 2.621 490 HG12 ILE 63 HG12 ILE 63 -19.016 11.975 0.160 491 HG13 ILE 63 HG11 ILE 63 -19.908 13.349 0.805 492 HG21 ILE 63 HG21 ILE 63 -19.361 9.667 1.219 493 HG22 ILE 63 HG22 ILE 63 -20.425 9.533 2.619 494 HG23 ILE 63 HG23 ILE 63 -18.882 10.376 2.762 495 HD11 ILE 63 HD11 ILE 63 -18.572 13.232 2.856 496 HD12 ILE 63 HD12 ILE 63 -17.576 13.472 1.422 497 HD13 ILE 63 HD13 ILE 63 -17.666 11.881 2.174 498 H ASN 64 HN ASN 64 -23.176 11.119 2.729 499 HA ASN 64 HA ASN 64 -23.241 8.319 3.115 500 HB2 ASN 64 HB2 ASN 64 -24.087 8.925 5.101 501 HB3 ASN 64 HB1 ASN 64 -24.051 10.593 4.555 502 HD21 ASN 64 HD21 ASN 64 -25.969 11.511 3.739 503 HD22 ASN 64 HD22 ASN 64 -27.518 10.863 4.139 504 H TYR 65 HN TYR 65 -25.256 10.535 1.319 505 HA TYR 65 HA TYR 65 -27.339 8.614 0.873 506 HB2 TYR 65 HB2 TYR 65 -27.298 11.309 0.723 507 HB3 TYR 65 HB1 TYR 65 -27.041 10.906 -0.968 508 HD1 TYR 65 HD1 TYR 65 -29.427 10.932 1.763 509 HD2 TYR 65 HD2 TYR 65 -28.748 9.644 -2.233 510 HE1 TYR 65 HE1 TYR 65 -31.837 10.562 1.479 511 HE2 TYR 65 HE2 TYR 65 -31.159 9.272 -2.529 512 HH TYR 65 HH TYR 65 -33.134 8.791 -1.046 513 H LEU 66 HN LEU 66 -24.461 9.694 -0.872 514 HA LEU 66 HA LEU 66 -25.189 8.301 -3.249 515 HB2 LEU 66 HB2 LEU 66 -23.965 10.143 -3.765 516 HB3 LEU 66 HB1 LEU 66 -23.019 10.064 -2.297 517 HG LEU 66 HG LEU 66 -21.809 8.168 -3.300 518 HD11 LEU 66 HD11 LEU 66 -23.424 7.556 -5.045 519 HD12 LEU 66 HD12 LEU 66 -21.864 7.952 -5.765 520 HD13 LEU 66 HD13 LEU 66 -23.185 9.119 -5.827 521 HD21 LEU 66 HD21 LEU 66 -20.949 10.456 -3.167 522 HD22 LEU 66 HD22 LEU 66 -21.641 10.798 -4.753 523 HD23 LEU 66 HD23 LEU 66 -20.350 9.608 -4.589 524 H GLU 67 HN GLU 67 -23.229 7.669 -0.395 525 HA GLU 67 HA GLU 67 -21.878 5.416 -1.473 526 HB2 GLU 67 HB2 GLU 67 -21.152 4.950 0.762 527 HB3 GLU 67 HB1 GLU 67 -21.156 6.699 0.569 528 HG2 GLU 67 HG2 GLU 67 -23.221 6.873 1.775 529 HG3 GLU 67 HG1 GLU 67 -23.339 5.120 1.878 530 H MET 68 HN MET 68 -24.984 5.888 0.080 531 HA MET 68 HA MET 68 -25.470 3.028 0.243 532 HB2 MET 68 HB2 MET 68 -27.615 3.603 1.235 533 HB3 MET 68 HB1 MET 68 -26.326 4.492 2.031 534 HG2 MET 68 HG2 MET 68 -26.914 6.504 0.836 535 HG3 MET 68 HG1 MET 68 -28.120 5.623 -0.105 536 HE1 MET 68 HE1 MET 68 -28.463 6.337 4.443 537 HE2 MET 68 HE2 MET 68 -27.098 6.888 3.470 538 HE3 MET 68 HE3 MET 68 -27.359 5.163 3.729 539 H SER 69 HN SER 69 -25.921 5.593 -1.929 540 HA SER 69 HA SER 69 -26.702 5.719 -4.040 541 HB2 SER 69 HB2 SER 69 -25.659 3.472 -4.306 542 HB3 SER 69 HB1 SER 69 -27.188 2.735 -3.835 543 HG SER 69 HG SER 69 -27.322 2.760 -5.968 544 H1 MET 1 HT1 MET 1 -11.408 24.681 -15.351 545 HA MET 1 HA MET 1 -14.105 24.481 -16.552 546 HB2 MET 1 HB2 MET 1 -11.973 22.383 -16.125 547 HB3 MET 1 HB1 MET 1 -13.624 22.038 -16.613 548 HG2 MET 1 HG2 MET 1 -13.244 23.425 -18.639 549 HG3 MET 1 HG1 MET 1 -11.554 23.571 -18.162 550 HE1 MET 1 HE1 MET 1 -9.900 21.521 -17.961 551 HE2 MET 1 HE2 MET 1 -10.325 19.859 -18.363 552 HE3 MET 1 HE3 MET 1 -11.016 20.622 -16.931 553 H SER 2 HN SER 2 -12.757 25.207 -13.779 554 HA SER 2 HA SER 2 -13.852 23.218 -12.032 555 HB2 SER 2 HB2 SER 2 -11.868 24.756 -11.530 556 HB3 SER 2 HB1 SER 2 -13.049 26.039 -11.284 557 HG SER 2 HG SER 2 -12.385 23.872 -9.722 558 HA PRO 3 HA PRO 3 -18.098 24.585 -11.907 559 HB2 PRO 3 HB2 PRO 3 -17.910 24.070 -8.979 560 HB3 PRO 3 HB1 PRO 3 -19.065 23.437 -10.158 561 HG2 PRO 3 HG2 PRO 3 -17.126 21.891 -9.204 562 HG3 PRO 3 HG1 PRO 3 -17.601 21.800 -10.910 563 HD2 PRO 3 HD2 PRO 3 -15.212 23.102 -9.672 564 HD3 PRO 3 HD1 PRO 3 -15.348 22.203 -11.198 565 H TYR 4 HN TYR 4 -15.705 25.824 -9.706 566 HA TYR 4 HA TYR 4 -16.754 28.487 -9.903 567 HB2 TYR 4 HB2 TYR 4 -18.169 27.643 -8.086 568 HB3 TYR 4 HB1 TYR 4 -16.746 27.101 -7.206 569 HD1 TYR 4 HD1 TYR 4 -18.235 30.210 -8.649 570 HD2 TYR 4 HD2 TYR 4 -15.853 28.486 -5.574 571 HE1 TYR 4 HE1 TYR 4 -18.116 32.392 -7.525 572 HE2 TYR 4 HE2 TYR 4 -15.727 30.663 -4.441 573 HH TYR 4 HH TYR 4 -17.717 33.294 -5.301 574 H GLY 5 HN GLY 5 -14.600 26.327 -8.145 575 HA2 GLY 5 HA2 GLY 5 -12.182 27.057 -8.976 576 HA3 GLY 5 HA1 GLY 5 -12.575 28.387 -7.891 577 H SER 6 HN SER 6 -13.321 24.956 -7.680 578 HA SER 6 HA SER 6 -11.546 24.597 -5.457 579 HB2 SER 6 HB2 SER 6 -13.441 23.843 -3.959 580 HB3 SER 6 HB1 SER 6 -13.356 25.582 -4.245 581 HG SER 6 HG SER 6 -15.164 23.685 -5.267 582 H ASP 7 HN ASP 7 -10.723 23.076 -6.944 583 HA ASP 7 HA ASP 7 -12.010 20.507 -6.681 584 HB2 ASP 7 HB2 ASP 7 -12.036 19.948 -9.017 585 HB3 ASP 7 HB1 ASP 7 -12.898 21.470 -8.837 586 H THR 8 HN THR 8 -10.431 19.045 -8.323 587 HA THR 8 HA THR 8 -8.224 18.497 -6.837 588 HB THR 8 HB THR 8 -7.359 17.551 -9.143 589 HG1 THR 8 HG1 THR 8 -9.203 18.944 -10.080 590 HG21 THR 8 HG21 THR 8 -9.852 16.576 -7.737 591 HG22 THR 8 HG22 THR 8 -8.191 16.217 -7.265 592 HG23 THR 8 HG23 THR 8 -8.825 15.605 -8.792 593 H THR 9 HN THR 9 -6.718 19.876 -6.278 594 HA THR 9 HA THR 9 -5.534 21.634 -8.284 595 HB THR 9 HB THR 9 -5.280 21.646 -5.266 596 HG1 THR 9 HG1 THR 9 -7.390 22.225 -6.358 597 HG21 THR 9 HG21 THR 9 -4.266 23.832 -5.544 598 HG22 THR 9 HG22 THR 9 -4.468 23.735 -7.292 599 HG23 THR 9 HG23 THR 9 -3.355 22.640 -6.471 600 HA PRO 10 HA PRO 10 -2.185 18.699 -8.271 601 HB2 PRO 10 HB2 PRO 10 -0.835 20.430 -10.153 602 HB3 PRO 10 HB1 PRO 10 -1.575 18.853 -10.431 603 HG2 PRO 10 HG2 PRO 10 -2.539 21.232 -11.428 604 HG3 PRO 10 HG1 PRO 10 -3.487 19.752 -11.229 605 HD2 PRO 10 HD2 PRO 10 -3.425 22.206 -9.561 606 HD3 PRO 10 HD1 PRO 10 -4.759 21.080 -9.890 607 H CYS 11 HN CYS 11 -1.149 18.931 -6.367 608 HA CYS 11 HA CYS 11 0.762 21.153 -6.185 609 HB2 CYS 11 HB2 CYS 11 -1.284 21.307 -4.630 610 HB3 CYS 11 HB1 CYS 11 -0.596 19.926 -3.785 611 H CYS 12 HN CYS 12 2.498 20.543 -4.457 612 HA CYS 12 HA CYS 12 3.013 17.805 -3.996 613 HB2 CYS 12 HB2 CYS 12 4.971 17.578 -5.516 614 HB3 CYS 12 HB1 CYS 12 3.428 17.677 -6.359 615 H PHE 13 HN PHE 13 5.320 17.464 -3.341 616 HA PHE 13 HA PHE 13 7.084 19.542 -2.649 617 HB2 PHE 13 HB2 PHE 13 5.348 20.110 -0.969 618 HB3 PHE 13 HB1 PHE 13 5.391 18.462 -0.356 619 HD1 PHE 13 HD1 PHE 13 7.299 21.607 -0.650 620 HD2 PHE 13 HD2 PHE 13 7.037 17.800 1.217 621 HE1 PHE 13 HE1 PHE 13 9.033 22.282 0.957 622 HE2 PHE 13 HE2 PHE 13 8.771 18.463 2.824 623 HZ PHE 13 HZ PHE 13 9.773 20.708 2.698 624 H ALA 14 HN ALA 14 8.397 17.980 -3.677 625 HA ALA 14 HA ALA 14 9.609 16.095 -1.950 626 HB1 ALA 14 HB1 ALA 14 7.569 14.821 -2.520 627 HB2 ALA 14 HB2 ALA 14 9.036 14.049 -3.120 628 HB3 ALA 14 HB3 ALA 14 7.994 14.943 -4.227 629 H TYR 15 HN TYR 15 11.073 14.607 -3.411 630 HA TYR 15 HA TYR 15 11.916 15.759 -5.878 631 HB2 TYR 15 HB2 TYR 15 14.256 16.232 -5.054 632 HB3 TYR 15 HB1 TYR 15 13.029 17.359 -4.487 633 HD1 TYR 15 HD1 TYR 15 15.258 14.598 -3.505 634 HD2 TYR 15 HD2 TYR 15 12.468 17.514 -2.160 635 HE1 TYR 15 HE1 TYR 15 15.949 14.192 -1.173 636 HE2 TYR 15 HE2 TYR 15 13.149 17.114 0.163 637 HH TYR 15 HH TYR 15 14.182 15.175 1.456 638 H LEU 16 HN LEU 16 13.838 14.563 -6.721 639 HA LEU 16 HA LEU 16 13.893 11.815 -5.665 640 HB2 LEU 16 HB2 LEU 16 12.817 12.690 -8.090 641 HB3 LEU 16 HB1 LEU 16 14.375 12.003 -8.494 642 HG LEU 16 HG LEU 16 12.158 10.574 -7.029 643 HD11 LEU 16 HD11 LEU 16 13.171 10.292 -9.853 644 HD12 LEU 16 HD12 LEU 16 11.617 10.970 -9.365 645 HD13 LEU 16 HD13 LEU 16 11.960 9.261 -9.090 646 HD21 LEU 16 HD21 LEU 16 14.375 9.781 -6.358 647 HD22 LEU 16 HD22 LEU 16 14.798 9.533 -8.052 648 HD23 LEU 16 HD23 LEU 16 13.520 8.571 -7.313 649 H SER 17 HN SER 17 15.813 10.803 -5.651 650 HA SER 17 HA SER 17 18.201 12.333 -5.852 651 HB2 SER 17 HB2 SER 17 17.754 9.352 -5.653 652 HB3 SER 17 HB1 SER 17 19.310 10.156 -5.420 653 HG SER 17 HG SER 17 18.616 10.087 -3.416 654 H LEU 18 HN LEU 18 16.390 10.255 -7.924 655 HA LEU 18 HA LEU 18 18.472 10.017 -9.909 656 HB2 LEU 18 HB2 LEU 18 15.591 9.125 -10.048 657 HB3 LEU 18 HB1 LEU 18 16.885 8.650 -11.127 658 HG LEU 18 HG LEU 18 16.716 7.925 -8.202 659 HD11 LEU 18 HD11 LEU 18 14.991 6.816 -9.504 660 HD12 LEU 18 HD12 LEU 18 16.236 5.669 -9.008 661 HD13 LEU 18 HD13 LEU 18 16.200 6.269 -10.666 662 HD21 LEU 18 HD21 LEU 18 18.564 6.410 -8.707 663 HD22 LEU 18 HD22 LEU 18 19.008 8.090 -9.007 664 HD23 LEU 18 HD23 LEU 18 18.621 7.026 -10.359 665 H ALA 19 HN ALA 19 18.742 12.166 -10.510 666 HA ALA 19 HA ALA 19 16.504 13.697 -11.459 667 HB1 ALA 19 HB1 ALA 19 19.468 14.266 -11.641 668 HB2 ALA 19 HB2 ALA 19 18.396 14.794 -10.346 669 HB3 ALA 19 HB3 ALA 19 18.171 15.413 -11.981 670 H LEU 20 HN LEU 20 15.598 13.252 -13.324 671 HA LEU 20 HA LEU 20 16.698 11.625 -15.312 672 HB2 LEU 20 HB2 LEU 20 14.786 12.450 -16.719 673 HB3 LEU 20 HB1 LEU 20 14.345 11.759 -15.174 674 HG LEU 20 HG LEU 20 14.314 14.259 -14.382 675 HD11 LEU 20 HD11 LEU 20 13.878 14.565 -17.345 676 HD12 LEU 20 HD12 LEU 20 15.217 15.229 -16.410 677 HD13 LEU 20 HD13 LEU 20 13.574 15.801 -16.124 678 HD21 LEU 20 HD21 LEU 20 12.384 12.826 -14.358 679 HD22 LEU 20 HD22 LEU 20 12.184 13.008 -16.099 680 HD23 LEU 20 HD23 LEU 20 11.936 14.392 -15.035 681 HA PRO 21 HA PRO 21 19.472 14.178 -17.564 682 HB2 PRO 21 HB2 PRO 21 18.356 13.033 -20.050 683 HB3 PRO 21 HB1 PRO 21 20.013 12.997 -19.441 684 HG2 PRO 21 HG2 PRO 21 18.430 10.835 -19.420 685 HG3 PRO 21 HG1 PRO 21 19.641 11.129 -18.159 686 HD2 PRO 21 HD2 PRO 21 16.680 11.430 -18.062 687 HD3 PRO 21 HD1 PRO 21 17.813 10.957 -16.781 688 H ARG 22 HN ARG 22 19.579 15.982 -18.904 689 HA ARG 22 HA ARG 22 17.326 17.671 -18.976 690 HB2 ARG 22 HB2 ARG 22 19.865 17.870 -20.612 691 HB3 ARG 22 HB1 ARG 22 18.741 19.180 -20.281 692 HG2 ARG 22 HG2 ARG 22 19.310 19.161 -17.953 693 HG3 ARG 22 HG1 ARG 22 20.297 17.715 -18.163 694 HD2 ARG 22 HD2 ARG 22 20.815 20.424 -19.380 695 HD3 ARG 22 HD1 ARG 22 21.685 19.710 -18.025 696 HE ARG 22 HE ARG 22 21.739 18.691 -20.794 697 HH11 ARG 22 HH11 ARG 22 23.277 19.069 -17.644 698 HH12 ARG 22 HH12 ARG 22 24.759 18.349 -18.154 699 HH21 ARG 22 HH21 ARG 22 23.718 17.741 -21.443 700 HH22 ARG 22 HH22 ARG 22 25.013 17.591 -20.307 701 H ALA 23 HN ALA 23 18.732 15.466 -21.249 702 HA ALA 23 HA ALA 23 17.297 16.280 -23.554 703 HB1 ALA 23 HB1 ALA 23 18.062 14.169 -24.505 704 HB2 ALA 23 HB2 ALA 23 18.556 13.617 -22.903 705 HB3 ALA 23 HB3 ALA 23 19.374 14.987 -23.657 706 H HIS 24 HN HIS 24 16.380 14.568 -20.750 707 HA HIS 24 HA HIS 24 14.194 13.212 -22.115 708 HB2 HIS 24 HB2 HIS 24 15.572 12.825 -19.504 709 HB3 HIS 24 HB1 HIS 24 13.905 12.293 -19.669 710 HD1 HIS 24 HD1 HIS 24 13.657 9.967 -20.478 711 HD2 HIS 24 HD2 HIS 24 17.269 11.635 -21.675 712 HE1 HIS 24 HE1 HIS 24 14.879 8.127 -21.667 713 H VAL 25 HN VAL 25 14.720 16.140 -20.662 714 HA VAL 25 HA VAL 25 12.000 16.237 -19.579 715 HB VAL 25 HB VAL 25 14.085 17.079 -18.236 716 HG11 VAL 25 HG11 VAL 25 13.572 19.484 -19.972 717 HG12 VAL 25 HG12 VAL 25 15.053 18.522 -19.921 718 HG13 VAL 25 HG13 VAL 25 14.558 19.468 -18.512 719 HG21 VAL 25 HG21 VAL 25 11.790 17.308 -17.478 720 HG22 VAL 25 HG22 VAL 25 11.600 18.769 -18.451 721 HG23 VAL 25 HG23 VAL 25 12.731 18.748 -17.096 722 H LYS 26 HN LYS 26 10.562 17.862 -20.234 723 HA LYS 26 HA LYS 26 11.161 18.950 -22.898 724 HB2 LYS 26 HB2 LYS 26 9.317 17.343 -22.865 725 HB3 LYS 26 HB1 LYS 26 8.508 18.270 -21.614 726 HG2 LYS 26 HG2 LYS 26 8.021 20.042 -23.118 727 HG3 LYS 26 HG1 LYS 26 9.095 19.378 -24.352 728 HD2 LYS 26 HD2 LYS 26 6.816 18.883 -24.965 729 HD3 LYS 26 HD1 LYS 26 7.615 17.384 -24.496 730 HE2 LYS 26 HE2 LYS 26 5.563 17.218 -23.426 731 HE3 LYS 26 HE1 LYS 26 6.598 17.858 -22.156 732 HZ1 LYS 26 HZ1 LYS 26 5.733 20.083 -22.620 733 HZ2 LYS 26 HZ2 LYS 26 4.476 19.013 -22.262 734 HZ3 LYS 26 HZ3 LYS 26 4.765 19.457 -23.862 735 H GLU 27 HN GLU 27 9.688 19.698 -19.761 736 HA GLU 27 HA GLU 27 10.467 22.435 -19.932 737 HB2 GLU 27 HB2 GLU 27 8.264 23.443 -20.032 738 HB3 GLU 27 HB1 GLU 27 8.497 22.417 -21.443 739 HG2 GLU 27 HG2 GLU 27 7.234 20.636 -20.279 740 HG3 GLU 27 HG1 GLU 27 6.888 21.795 -18.993 741 H TYR 28 HN TYR 28 9.393 23.691 -18.057 742 HA TYR 28 HA TYR 28 8.720 21.903 -15.839 743 HB2 TYR 28 HB2 TYR 28 10.147 22.986 -14.295 744 HB3 TYR 28 HB1 TYR 28 11.141 22.759 -15.723 745 HD1 TYR 28 HD1 TYR 28 9.509 25.185 -13.529 746 HD2 TYR 28 HD2 TYR 28 11.853 24.738 -17.057 747 HE1 TYR 28 HE1 TYR 28 10.078 27.574 -13.454 748 HE2 TYR 28 HE2 TYR 28 12.424 27.126 -16.991 749 HH TYR 28 HH TYR 28 11.921 29.049 -14.288 750 H PHE 29 HN PHE 29 7.474 22.953 -14.141 751 HA PHE 29 HA PHE 29 6.168 25.445 -14.900 752 HB2 PHE 29 HB2 PHE 29 4.865 23.647 -16.007 753 HB3 PHE 29 HB1 PHE 29 4.650 22.857 -14.453 754 HD1 PHE 29 HD1 PHE 29 4.208 26.338 -15.750 755 HD2 PHE 29 HD2 PHE 29 2.515 23.043 -13.655 756 HE1 PHE 29 HE1 PHE 29 2.139 27.624 -15.406 757 HE2 PHE 29 HE2 PHE 29 0.445 24.324 -13.304 758 HZ PHE 29 HZ PHE 29 0.255 26.618 -14.181 759 H TYR 30 HN TYR 30 5.110 26.451 -13.128 760 HA TYR 30 HA TYR 30 6.207 25.660 -10.567 761 HB2 TYR 30 HB2 TYR 30 4.481 28.023 -11.337 762 HB3 TYR 30 HB1 TYR 30 5.210 27.775 -9.756 763 HD1 TYR 30 HD1 TYR 30 5.765 28.830 -13.188 764 HD2 TYR 30 HD2 TYR 30 7.655 27.959 -9.480 765 HE1 TYR 30 HE1 TYR 30 7.782 30.008 -13.948 766 HE2 TYR 30 HE2 TYR 30 9.679 29.136 -10.230 767 HH TYR 30 HH TYR 30 10.758 29.797 -12.298 768 H THR 31 HN THR 31 4.905 25.384 -8.675 769 HA THR 31 HA THR 31 2.701 23.708 -9.036 770 HB THR 31 HB THR 31 2.321 24.215 -6.519 771 HG1 THR 31 HG1 THR 31 3.967 25.307 -5.506 772 HG21 THR 31 HG21 THR 31 4.206 22.776 -5.932 773 HG22 THR 31 HG22 THR 31 4.929 23.077 -7.517 774 HG23 THR 31 HG23 THR 31 3.402 22.208 -7.395 775 H SER 32 HN SER 32 0.519 24.048 -8.096 776 HA SER 32 HA SER 32 -0.795 26.065 -9.504 777 HB2 SER 32 HB2 SER 32 -1.817 24.405 -7.203 778 HB3 SER 32 HB1 SER 32 -2.810 25.290 -8.361 779 HG SER 32 HG SER 32 -1.346 22.932 -8.681 780 H SER 33 HN SER 33 -2.196 27.729 -8.697 781 HA SER 33 HA SER 33 -0.859 29.575 -7.056 782 HB2 SER 33 HB2 SER 33 -3.771 29.662 -7.820 783 HB3 SER 33 HB1 SER 33 -2.683 31.018 -7.525 784 HG SER 33 HG SER 33 -1.493 30.335 -9.383 785 H LYS 34 HN LYS 34 -3.025 27.033 -6.272 786 HA LYS 34 HA LYS 34 -3.785 28.273 -3.746 787 HB2 LYS 34 HB2 LYS 34 -4.646 25.682 -5.031 788 HB3 LYS 34 HB1 LYS 34 -5.187 26.215 -3.447 789 HG2 LYS 34 HG2 LYS 34 -5.658 27.666 -6.047 790 HG3 LYS 34 HG1 LYS 34 -6.842 26.686 -5.181 791 HD2 LYS 34 HD2 LYS 34 -6.666 28.216 -3.252 792 HD3 LYS 34 HD1 LYS 34 -5.525 29.207 -4.160 793 HE2 LYS 34 HE2 LYS 34 -7.733 30.189 -4.269 794 HE3 LYS 34 HE1 LYS 34 -7.255 29.607 -5.862 795 HZ1 LYS 34 HZ1 LYS 34 -8.626 27.653 -5.527 796 HZ2 LYS 34 HZ2 LYS 34 -9.550 29.053 -5.334 797 HZ3 LYS 34 HZ3 LYS 34 -9.054 28.180 -3.977 798 H CYS 35 HN CYS 35 -1.210 26.604 -4.857 799 HA CYS 35 HA CYS 35 -0.846 24.852 -2.591 800 HB2 CYS 35 HB2 CYS 35 1.061 25.603 -4.815 801 HB3 CYS 35 HB1 CYS 35 1.316 24.327 -3.630 802 H SER 36 HN SER 36 0.216 25.327 -0.777 803 HA SER 36 HA SER 36 1.140 28.016 -0.341 804 HB2 SER 36 HB2 SER 36 1.275 25.616 1.500 805 HB3 SER 36 HB1 SER 36 1.445 27.309 1.964 806 HG SER 36 HG SER 36 -0.686 27.648 1.570 807 H ASN 37 HN ASN 37 2.460 25.100 -1.400 808 HA ASN 37 HA ASN 37 5.196 25.806 -0.634 809 HB2 ASN 37 HB2 ASN 37 4.594 23.499 -0.226 810 HB3 ASN 37 HB1 ASN 37 4.030 23.312 -1.884 811 HD21 ASN 37 HD21 ASN 37 5.404 21.769 -2.587 812 HD22 ASN 37 HD22 ASN 37 7.121 21.973 -2.665 813 H LEU 38 HN LEU 38 6.625 26.599 -2.067 814 HA LEU 38 HA LEU 38 5.808 26.862 -4.842 815 HB2 LEU 38 HB2 LEU 38 6.902 28.759 -3.550 816 HB3 LEU 38 HB1 LEU 38 8.376 27.817 -3.557 817 HG LEU 38 HG LEU 38 8.292 29.634 -5.281 818 HD11 LEU 38 HD11 LEU 38 8.621 26.841 -6.299 819 HD12 LEU 38 HD12 LEU 38 9.857 27.892 -5.602 820 HD13 LEU 38 HD13 LEU 38 9.130 28.297 -7.155 821 HD21 LEU 38 HD21 LEU 38 6.233 27.876 -6.596 822 HD22 LEU 38 HD22 LEU 38 6.948 29.338 -7.275 823 HD23 LEU 38 HD23 LEU 38 5.917 29.441 -5.848 824 H ALA 39 HN ALA 39 6.230 25.272 -6.142 825 HA ALA 39 HA ALA 39 8.783 23.899 -5.996 826 HB1 ALA 39 HB1 ALA 39 7.317 22.510 -4.630 827 HB2 ALA 39 HB2 ALA 39 7.727 21.682 -6.133 828 HB3 ALA 39 HB3 ALA 39 6.144 22.438 -5.943 829 H VAL 40 HN VAL 40 8.981 22.389 -7.939 830 HA VAL 40 HA VAL 40 7.544 23.570 -10.200 831 HB VAL 40 HB VAL 40 9.608 23.264 -11.576 832 HG11 VAL 40 HG11 VAL 40 9.792 25.139 -9.237 833 HG12 VAL 40 HG12 VAL 40 8.978 25.448 -10.776 834 HG13 VAL 40 HG13 VAL 40 10.735 25.270 -10.723 835 HG21 VAL 40 HG21 VAL 40 10.750 21.665 -10.155 836 HG22 VAL 40 HG22 VAL 40 10.900 22.883 -8.887 837 HG23 VAL 40 HG23 VAL 40 11.751 23.093 -10.421 838 H VAL 41 HN VAL 41 6.922 22.275 -11.750 839 HA VAL 41 HA VAL 41 7.308 19.399 -11.345 840 HB VAL 41 HB VAL 41 5.049 20.788 -12.796 841 HG11 VAL 41 HG11 VAL 41 3.958 18.593 -12.649 842 HG12 VAL 41 HG12 VAL 41 5.430 17.923 -11.945 843 HG13 VAL 41 HG13 VAL 41 5.444 18.542 -13.597 844 HG21 VAL 41 HG21 VAL 41 4.953 21.331 -10.429 845 HG22 VAL 41 HG22 VAL 41 5.084 19.622 -10.015 846 HG23 VAL 41 HG23 VAL 41 3.655 20.217 -10.859 847 H PHE 42 HN PHE 42 8.513 18.450 -12.818 848 HA PHE 42 HA PHE 42 9.065 19.834 -15.332 849 HB2 PHE 42 HB2 PHE 42 10.387 17.485 -13.987 850 HB3 PHE 42 HB1 PHE 42 10.842 18.072 -15.576 851 HD1 PHE 42 HD1 PHE 42 10.901 18.715 -11.998 852 HD2 PHE 42 HD2 PHE 42 11.994 20.194 -15.830 853 HE1 PHE 42 HE1 PHE 42 12.398 20.343 -10.939 854 HE2 PHE 42 HE2 PHE 42 13.504 21.822 -14.779 855 HZ PHE 42 HZ PHE 42 13.710 21.899 -12.332 856 H VAL 43 HN VAL 43 8.436 19.119 -17.218 857 HA VAL 43 HA VAL 43 6.790 16.691 -17.283 858 HB VAL 43 HB VAL 43 6.934 18.937 -19.304 859 HG11 VAL 43 HG11 VAL 43 6.204 16.774 -20.192 860 HG12 VAL 43 HG12 VAL 43 4.930 17.990 -20.229 861 HG13 VAL 43 HG13 VAL 43 4.912 16.733 -18.986 862 HG21 VAL 43 HG21 VAL 43 4.892 18.455 -17.136 863 HG22 VAL 43 HG22 VAL 43 4.770 19.675 -18.403 864 HG23 VAL 43 HG23 VAL 43 6.054 19.780 -17.199 865 H THR 44 HN THR 44 7.682 14.957 -18.193 866 HA THR 44 HA THR 44 10.235 15.130 -19.500 867 HB THR 44 HB THR 44 10.097 12.703 -19.710 868 HG1 THR 44 HG1 THR 44 8.192 11.653 -18.858 869 HG21 THR 44 HG21 THR 44 10.811 13.650 -17.570 870 HG22 THR 44 HG22 THR 44 9.938 12.136 -17.333 871 HG23 THR 44 HG23 THR 44 9.136 13.676 -17.018 872 H ARG 45 HN ARG 45 10.430 13.553 -21.524 873 HA ARG 45 HA ARG 45 9.092 14.913 -23.650 874 HB2 ARG 45 HB2 ARG 45 10.657 12.347 -23.914 875 HB3 ARG 45 HB1 ARG 45 10.405 13.582 -25.138 876 HG2 ARG 45 HG2 ARG 45 12.063 13.875 -22.640 877 HG3 ARG 45 HG1 ARG 45 12.680 13.614 -24.269 878 HD2 ARG 45 HD2 ARG 45 10.963 15.976 -23.548 879 HD3 ARG 45 HD1 ARG 45 12.714 15.996 -23.373 880 HE ARG 45 HE ARG 45 11.675 15.275 -25.992 881 HH11 ARG 45 HH11 ARG 45 13.034 17.774 -23.911 882 HH12 ARG 45 HH12 ARG 45 13.490 18.798 -25.228 883 HH21 ARG 45 HH21 ARG 45 12.318 16.641 -27.744 884 HH22 ARG 45 HH22 ARG 45 13.086 18.148 -27.407 885 H ARG 46 HN ARG 46 8.372 12.214 -21.733 886 HA ARG 46 HA ARG 46 6.480 11.082 -23.660 887 HB2 ARG 46 HB2 ARG 46 7.977 9.611 -22.253 888 HB3 ARG 46 HB1 ARG 46 7.114 10.186 -20.836 889 HG2 ARG 46 HG2 ARG 46 5.021 9.260 -21.820 890 HG3 ARG 46 HG1 ARG 46 6.003 8.555 -23.106 891 HD2 ARG 46 HD2 ARG 46 7.272 7.298 -21.445 892 HD3 ARG 46 HD1 ARG 46 6.300 8.010 -20.159 893 HE ARG 46 HE ARG 46 4.817 6.600 -22.201 894 HH11 ARG 46 HH11 ARG 46 6.391 6.399 -19.073 895 HH12 ARG 46 HH12 ARG 46 5.492 5.009 -18.570 896 HH21 ARG 46 HH21 ARG 46 3.618 4.764 -21.534 897 HH22 ARG 46 HH22 ARG 46 3.899 4.080 -19.972 898 H ASN 47 HN ASN 47 6.498 13.656 -21.808 899 HA ASN 47 HA ASN 47 4.908 15.064 -21.044 900 HB2 ASN 47 HB2 ASN 47 2.994 12.964 -22.055 901 HB3 ASN 47 HB1 ASN 47 2.526 14.577 -21.516 902 HD21 ASN 47 HD21 ASN 47 2.636 12.990 -24.149 903 HD22 ASN 47 HD22 ASN 47 3.308 14.121 -25.273 904 H ARG 48 HN ARG 48 6.014 12.717 -19.525 905 HA ARG 48 HA ARG 48 3.969 12.400 -17.475 906 HB2 ARG 48 HB2 ARG 48 5.215 10.390 -18.069 907 HB3 ARG 48 HB1 ARG 48 6.738 11.203 -17.752 908 HG2 ARG 48 HG2 ARG 48 4.912 11.181 -15.466 909 HG3 ARG 48 HG1 ARG 48 5.422 9.580 -16.001 910 HD2 ARG 48 HD2 ARG 48 7.267 11.880 -15.352 911 HD3 ARG 48 HD1 ARG 48 6.924 10.515 -14.288 912 HE ARG 48 HE ARG 48 7.792 9.486 -16.724 913 HH11 ARG 48 HH11 ARG 48 9.122 11.448 -14.139 914 HH12 ARG 48 HH12 ARG 48 10.731 10.840 -14.336 915 HH21 ARG 48 HH21 ARG 48 9.910 8.709 -17.004 916 HH22 ARG 48 HH22 ARG 48 11.186 9.284 -15.988 917 H GLN 49 HN GLN 49 4.167 13.277 -15.426 918 HA GLN 49 HA GLN 49 6.019 15.533 -15.371 919 HB2 GLN 49 HB2 GLN 49 3.490 15.134 -13.790 920 HB3 GLN 49 HB1 GLN 49 4.471 16.592 -13.868 921 HG2 GLN 49 HG2 GLN 49 3.966 16.826 -16.237 922 HG3 GLN 49 HG1 GLN 49 3.002 15.353 -16.185 923 HE21 GLN 49 HE21 GLN 49 3.061 17.644 -13.603 924 HE22 GLN 49 HE22 GLN 49 1.448 18.237 -13.812 925 H VAL 50 HN VAL 50 7.028 16.167 -13.456 926 HA VAL 50 HA VAL 50 7.161 14.291 -11.230 927 HB VAL 50 HB VAL 50 8.978 13.581 -12.754 928 HG11 VAL 50 HG11 VAL 50 9.282 15.676 -13.917 929 HG12 VAL 50 HG12 VAL 50 10.813 15.029 -13.314 930 HG13 VAL 50 HG13 VAL 50 10.021 16.365 -12.472 931 HG21 VAL 50 HG21 VAL 50 9.341 13.427 -10.320 932 HG22 VAL 50 HG22 VAL 50 10.050 15.039 -10.340 933 HG23 VAL 50 HG23 VAL 50 10.846 13.716 -11.193 934 H CYS 51 HN CYS 51 7.457 15.361 -9.312 935 HA CYS 51 HA CYS 51 7.687 18.279 -9.505 936 HB2 CYS 51 HB2 CYS 51 6.596 16.524 -7.317 937 HB3 CYS 51 HB1 CYS 51 6.738 18.275 -7.211 938 H ALA 52 HN ALA 52 9.232 19.412 -8.455 939 HA ALA 52 HA ALA 52 10.977 18.007 -6.593 940 HB1 ALA 52 HB1 ALA 52 12.995 18.742 -7.742 941 HB2 ALA 52 HB2 ALA 52 12.017 19.459 -9.022 942 HB3 ALA 52 HB3 ALA 52 12.020 17.710 -8.790 943 H ASN 53 HN ASN 53 12.031 19.356 -5.156 944 HA ASN 53 HA ASN 53 10.853 21.958 -4.822 945 HB2 ASN 53 HB2 ASN 53 13.041 20.614 -3.205 946 HB3 ASN 53 HB1 ASN 53 12.170 22.071 -2.743 947 HD21 ASN 53 HD21 ASN 53 9.961 21.885 -2.127 948 HD22 ASN 53 HD22 ASN 53 9.311 20.372 -1.611 949 HA PRO 54 HA PRO 54 13.903 24.139 -7.183 950 HB2 PRO 54 HB2 PRO 54 13.366 26.642 -6.352 951 HB3 PRO 54 HB1 PRO 54 12.211 25.732 -7.335 952 HG2 PRO 54 HG2 PRO 54 12.297 26.056 -4.356 953 HG3 PRO 54 HG1 PRO 54 10.925 26.303 -5.457 954 HD2 PRO 54 HD2 PRO 54 11.203 24.029 -4.080 955 HD3 PRO 54 HD1 PRO 54 10.601 24.026 -5.750 956 H GLU 55 HN GLU 55 14.256 23.482 -4.012 957 HA GLU 55 HA GLU 55 16.326 25.413 -3.457 958 HB2 GLU 55 HB2 GLU 55 15.347 23.072 -1.827 959 HB3 GLU 55 HB1 GLU 55 16.505 24.277 -1.279 960 HG2 GLU 55 HG2 GLU 55 14.793 26.015 -1.554 961 HG3 GLU 55 HG1 GLU 55 13.637 24.774 -2.034 962 H LYS 56 HN LYS 56 16.093 22.419 -4.952 963 HA LYS 56 HA LYS 56 18.793 21.583 -4.296 964 HB2 LYS 56 HB2 LYS 56 16.682 20.412 -6.099 965 HB3 LYS 56 HB1 LYS 56 18.305 19.750 -5.973 966 HG2 LYS 56 HG2 LYS 56 17.927 19.402 -3.553 967 HG3 LYS 56 HG1 LYS 56 16.270 19.971 -3.765 968 HD2 LYS 56 HD2 LYS 56 16.305 17.550 -3.774 969 HD3 LYS 56 HD1 LYS 56 15.882 18.141 -5.381 970 HE2 LYS 56 HE2 LYS 56 17.462 16.287 -5.518 971 HE3 LYS 56 HE1 LYS 56 18.188 17.770 -6.127 972 HZ1 LYS 56 HZ1 LYS 56 18.614 16.636 -3.417 973 HZ2 LYS 56 HZ2 LYS 56 19.372 18.015 -4.034 974 HZ3 LYS 56 HZ3 LYS 56 19.690 16.497 -4.707 975 H LYS 57 HN LYS 57 20.542 21.880 -5.527 976 HA LYS 57 HA LYS 57 20.521 23.950 -7.405 977 HB2 LYS 57 HB2 LYS 57 22.480 23.366 -6.011 978 HB3 LYS 57 HB1 LYS 57 22.696 21.903 -6.960 979 HG2 LYS 57 HG2 LYS 57 24.234 23.686 -7.639 980 HG3 LYS 57 HG1 LYS 57 23.145 23.221 -8.948 981 HD2 LYS 57 HD2 LYS 57 21.725 25.156 -8.453 982 HD3 LYS 57 HD1 LYS 57 22.803 25.615 -7.136 983 HE2 LYS 57 HE2 LYS 57 23.584 25.422 -10.043 984 HE3 LYS 57 HE1 LYS 57 23.176 26.915 -9.204 985 HZ1 LYS 57 HZ1 LYS 57 25.527 26.697 -9.263 986 HZ2 LYS 57 HZ2 LYS 57 25.476 25.126 -8.661 987 HZ3 LYS 57 HZ3 LYS 57 25.044 26.426 -7.666 988 H TRP 58 HN TRP 58 20.400 20.443 -7.829 989 HA TRP 58 HA TRP 58 21.026 20.407 -10.565 990 HB2 TRP 58 HB2 TRP 58 19.182 18.531 -9.066 991 HB3 TRP 58 HB1 TRP 58 19.929 18.217 -10.628 992 HD1 TRP 58 HD1 TRP 58 20.317 16.966 -7.402 993 HE1 TRP 58 HE1 TRP 58 22.739 16.363 -6.794 994 HE3 TRP 58 HE3 TRP 58 22.765 19.598 -11.051 995 HZ2 TRP 58 HZ2 TRP 58 25.333 16.920 -7.724 996 HZ3 TRP 58 HZ3 TRP 58 25.219 19.507 -11.113 997 HH2 TRP 58 HH2 TRP 58 26.476 18.197 -9.483 998 H VAL 59 HN VAL 59 18.048 20.901 -8.823 999 HA VAL 59 HA VAL 59 16.273 20.870 -11.008 1000 HB VAL 59 HB VAL 59 16.095 22.400 -8.396 1001 HG11 VAL 59 HG11 VAL 59 14.593 23.315 -10.099 1002 HG12 VAL 59 HG12 VAL 59 13.701 22.518 -8.802 1003 HG13 VAL 59 HG13 VAL 59 13.913 21.708 -10.353 1004 HG21 VAL 59 HG21 VAL 59 14.705 20.550 -7.634 1005 HG22 VAL 59 HG22 VAL 59 16.306 19.977 -8.108 1006 HG23 VAL 59 HG23 VAL 59 14.928 19.733 -9.180 1007 H GLN 60 HN GLN 60 18.193 23.364 -9.488 1008 HA GLN 60 HA GLN 60 17.209 25.553 -10.982 1009 HB2 GLN 60 HB2 GLN 60 19.899 25.249 -9.641 1010 HB3 GLN 60 HB1 GLN 60 19.143 26.760 -10.120 1011 HG2 GLN 60 HG2 GLN 60 18.028 24.864 -8.072 1012 HG3 GLN 60 HG1 GLN 60 18.997 26.284 -7.698 1013 HE21 GLN 60 HE21 GLN 60 15.932 25.108 -8.777 1014 HE22 GLN 60 HE22 GLN 60 15.075 26.602 -8.629 1015 H GLU 61 HN GLU 61 19.898 23.315 -11.381 1016 HA GLU 61 HA GLU 61 21.051 24.578 -13.608 1017 HB2 GLU 61 HB2 GLU 61 21.099 21.680 -12.782 1018 HB3 GLU 61 HB1 GLU 61 22.148 22.403 -13.994 1019 HG2 GLU 61 HG2 GLU 61 22.038 23.266 -11.123 1020 HG3 GLU 61 HG1 GLU 61 23.188 22.102 -11.764 1021 H TYR 62 HN TYR 62 18.680 21.993 -13.291 1022 HA TYR 62 HA TYR 62 18.471 21.543 -16.092 1023 HB2 TYR 62 HB2 TYR 62 16.750 20.792 -13.754 1024 HB3 TYR 62 HB1 TYR 62 16.187 20.512 -15.400 1025 HD1 TYR 62 HD1 TYR 62 18.857 19.685 -12.982 1026 HD2 TYR 62 HD2 TYR 62 17.031 18.724 -16.689 1027 HE1 TYR 62 HE1 TYR 62 20.153 17.598 -13.066 1028 HE2 TYR 62 HE2 TYR 62 18.320 16.638 -16.787 1029 HH TYR 62 HH TYR 62 19.882 15.321 -14.176 1030 H ILE 63 HN ILE 63 16.718 23.559 -13.833 1031 HA ILE 63 HA ILE 63 14.799 24.538 -15.642 1032 HB ILE 63 HB ILE 63 15.993 25.674 -13.120 1033 HG12 ILE 63 HG12 ILE 63 13.207 24.718 -13.813 1034 HG13 ILE 63 HG11 ILE 63 14.416 23.799 -12.923 1035 HG21 ILE 63 HG21 ILE 63 14.375 27.501 -13.199 1036 HG22 ILE 63 HG22 ILE 63 13.866 26.983 -14.807 1037 HG23 ILE 63 HG23 ILE 63 15.509 27.574 -14.549 1038 HD11 ILE 63 HD11 ILE 63 14.360 25.473 -11.140 1039 HD12 ILE 63 HD12 ILE 63 12.776 24.751 -11.423 1040 HD13 ILE 63 HD13 ILE 63 13.129 26.369 -12.031 1041 H ASN 64 HN ASN 64 17.988 25.744 -14.712 1042 HA ASN 64 HA ASN 64 17.932 28.044 -16.326 1043 HB2 ASN 64 HB2 ASN 64 19.738 28.460 -15.073 1044 HB3 ASN 64 HB1 ASN 64 19.754 26.797 -14.512 1045 HD21 ASN 64 HD21 ASN 64 21.080 25.317 -15.537 1046 HD22 ASN 64 HD22 ASN 64 22.426 25.808 -16.508 1047 H TYR 65 HN TYR 65 18.911 24.746 -16.964 1048 HA TYR 65 HA TYR 65 20.070 25.334 -19.517 1049 HB2 TYR 65 HB2 TYR 65 19.335 22.807 -18.099 1050 HB3 TYR 65 HB1 TYR 65 19.640 22.774 -19.831 1051 HD1 TYR 65 HD1 TYR 65 21.114 22.635 -16.592 1052 HD2 TYR 65 HD2 TYR 65 21.915 23.722 -20.621 1053 HE1 TYR 65 HE1 TYR 65 23.521 22.430 -16.160 1054 HE2 TYR 65 HE2 TYR 65 24.331 23.523 -20.199 1055 HH TYR 65 HH TYR 65 25.580 22.018 -17.433 1056 H LEU 66 HN LEU 66 16.902 24.165 -18.445 1057 HA LEU 66 HA LEU 66 16.120 23.849 -21.195 1058 HB2 LEU 66 HB2 LEU 66 14.282 22.725 -20.487 1059 HB3 LEU 66 HB1 LEU 66 15.338 22.488 -19.118 1060 HG LEU 66 HG LEU 66 14.059 24.558 -18.142 1061 HD11 LEU 66 HD11 LEU 66 12.780 25.132 -20.102 1062 HD12 LEU 66 HD12 LEU 66 11.664 24.517 -18.883 1063 HD13 LEU 66 HD13 LEU 66 12.155 23.492 -20.228 1064 HD21 LEU 66 HD21 LEU 66 14.076 22.334 -17.174 1065 HD22 LEU 66 HD22 LEU 66 12.902 21.780 -18.365 1066 HD23 LEU 66 HD23 LEU 66 12.435 22.973 -17.159 1067 H GLU 67 HN GLU 67 15.820 26.338 -18.793 1068 HA GLU 67 HA GLU 67 13.804 27.802 -20.166 1069 HB2 GLU 67 HB2 GLU 67 14.233 29.608 -18.679 1070 HB3 GLU 67 HB1 GLU 67 14.444 28.140 -17.738 1071 HG2 GLU 67 HG2 GLU 67 16.823 28.335 -17.859 1072 HG3 GLU 67 HG1 GLU 67 16.693 29.681 -18.983 1073 H MET 68 HN MET 68 17.274 27.550 -20.502 1074 HA MET 68 HA MET 68 17.368 29.827 -22.313 1075 HB2 MET 68 HB2 MET 68 19.745 29.392 -22.508 1076 HB3 MET 68 HB1 MET 68 19.282 29.455 -20.814 1077 HG2 MET 68 HG2 MET 68 19.442 27.080 -20.621 1078 HG3 MET 68 HG1 MET 68 19.649 26.904 -22.364 1079 HE1 MET 68 HE1 MET 68 22.799 28.889 -19.630 1080 HE2 MET 68 HE2 MET 68 21.264 28.254 -19.037 1081 HE3 MET 68 HE3 MET 68 21.286 29.664 -20.094 1082 H SER 69 HN SER 69 16.523 26.657 -22.502 1083 HA SER 69 HA SER 69 16.041 25.233 -24.176 1084 HB2 SER 69 HB2 SER 69 16.326 27.676 -25.914 1085 HB3 SER 69 HB1 SER 69 15.451 26.197 -26.316 1086 HG SER 69 HG SER 69 13.798 27.045 -25.352 Start of MODEL 13 1 H1 MET 1 HT1 MET 1 2.714 10.996 -19.306 2 HA MET 1 HA MET 1 4.441 9.517 -20.070 3 HB2 MET 1 HB2 MET 1 5.785 11.127 -21.296 4 HB3 MET 1 HB1 MET 1 6.156 11.997 -19.816 5 HG2 MET 1 HG2 MET 1 7.348 9.991 -18.994 6 HG3 MET 1 HG1 MET 1 7.049 9.218 -20.550 7 HE1 MET 1 HE1 MET 1 9.674 8.771 -20.782 8 HE2 MET 1 HE2 MET 1 9.940 9.564 -19.230 9 HE3 MET 1 HE3 MET 1 10.893 10.038 -20.636 10 H SER 2 HN SER 2 4.007 8.434 -18.221 11 HA SER 2 HA SER 2 5.034 9.553 -15.709 12 HB2 SER 2 HB2 SER 2 3.031 7.312 -16.079 13 HB3 SER 2 HB1 SER 2 3.463 8.104 -14.563 14 HG SER 2 HG SER 2 1.674 8.857 -16.460 15 HA PRO 3 HA PRO 3 7.889 6.077 -16.409 16 HB2 PRO 3 HB2 PRO 3 10.166 7.351 -15.779 17 HB3 PRO 3 HB1 PRO 3 9.394 7.551 -17.356 18 HG2 PRO 3 HG2 PRO 3 9.483 9.414 -15.046 19 HG3 PRO 3 HG1 PRO 3 9.381 9.771 -16.777 20 HD2 PRO 3 HD2 PRO 3 7.248 9.753 -14.908 21 HD3 PRO 3 HD1 PRO 3 7.118 9.894 -16.671 22 H TYR 4 HN TYR 4 7.652 8.280 -13.665 23 HA TYR 4 HA TYR 4 8.044 6.057 -11.840 24 HB2 TYR 4 HB2 TYR 4 9.690 8.598 -11.734 25 HB3 TYR 4 HB1 TYR 4 9.588 7.438 -10.414 26 HD1 TYR 4 HD1 TYR 4 11.177 8.257 -13.542 27 HD2 TYR 4 HD2 TYR 4 10.435 5.092 -10.798 28 HE1 TYR 4 HE1 TYR 4 12.999 6.955 -14.559 29 HE2 TYR 4 HE2 TYR 4 12.255 3.785 -11.805 30 HH TYR 4 HH TYR 4 13.455 3.642 -13.910 31 H GLY 5 HN GLY 5 7.439 6.689 -9.594 32 HA2 GLY 5 HA2 GLY 5 5.120 8.489 -9.747 33 HA3 GLY 5 HA1 GLY 5 5.324 7.182 -8.590 34 H SER 6 HN SER 6 6.317 10.410 -9.457 35 HA SER 6 HA SER 6 6.722 11.060 -6.660 36 HB2 SER 6 HB2 SER 6 8.948 11.452 -8.687 37 HB3 SER 6 HB1 SER 6 8.975 11.987 -7.007 38 HG SER 6 HG SER 6 8.369 9.414 -7.012 39 H ASP 7 HN ASP 7 4.871 11.724 -8.790 40 HA ASP 7 HA ASP 7 5.558 14.468 -9.473 41 HB2 ASP 7 HB2 ASP 7 3.643 14.350 -10.996 42 HB3 ASP 7 HB1 ASP 7 4.779 13.037 -11.282 43 H THR 8 HN THR 8 3.370 15.824 -9.624 44 HA THR 8 HA THR 8 2.853 16.849 -7.171 45 HB THR 8 HB THR 8 0.596 17.585 -8.268 46 HG1 THR 8 HG1 THR 8 0.969 15.828 -9.913 47 HG21 THR 8 HG21 THR 8 2.548 19.028 -7.975 48 HG22 THR 8 HG22 THR 8 1.813 19.286 -9.557 49 HG23 THR 8 HG23 THR 8 3.290 18.331 -9.415 50 H THR 9 HN THR 9 1.840 16.278 -5.413 51 HA THR 9 HA THR 9 -0.029 14.039 -5.514 52 HB THR 9 HB THR 9 1.166 15.332 -3.058 53 HG1 THR 9 HG1 THR 9 2.789 14.559 -4.579 54 HG21 THR 9 HG21 THR 9 0.068 12.567 -3.591 55 HG22 THR 9 HG22 THR 9 -0.746 13.845 -2.689 56 HG23 THR 9 HG23 THR 9 0.738 13.130 -2.062 57 HA PRO 10 HA PRO 10 -3.169 17.236 -4.998 58 HB2 PRO 10 HB2 PRO 10 -5.310 15.563 -5.166 59 HB3 PRO 10 HB1 PRO 10 -4.433 16.148 -6.584 60 HG2 PRO 10 HG2 PRO 10 -4.252 13.510 -5.196 61 HG3 PRO 10 HG1 PRO 10 -4.198 13.873 -6.930 62 HD2 PRO 10 HD2 PRO 10 -1.980 13.346 -5.424 63 HD3 PRO 10 HD1 PRO 10 -1.957 14.356 -6.883 64 H CYS 11 HN CYS 11 -3.359 18.000 -2.998 65 HA CYS 11 HA CYS 11 -4.539 16.267 -0.948 66 HB2 CYS 11 HB2 CYS 11 -2.063 16.452 -0.609 67 HB3 CYS 11 HB1 CYS 11 -2.254 18.193 -0.456 68 H CYS 12 HN CYS 12 -5.583 17.502 0.775 69 HA CYS 12 HA CYS 12 -6.046 20.300 0.453 70 HB2 CYS 12 HB2 CYS 12 -8.059 18.335 -0.527 71 HB3 CYS 12 HB1 CYS 12 -8.626 19.793 0.278 72 H PHE 13 HN PHE 13 -7.341 21.196 2.126 73 HA PHE 13 HA PHE 13 -8.234 19.485 4.282 74 HB2 PHE 13 HB2 PHE 13 -6.810 20.716 5.968 75 HB3 PHE 13 HB1 PHE 13 -5.928 19.618 4.917 76 HD1 PHE 13 HD1 PHE 13 -6.453 23.096 5.883 77 HD2 PHE 13 HD2 PHE 13 -4.417 20.497 3.193 78 HE1 PHE 13 HE1 PHE 13 -4.916 24.922 5.286 79 HE2 PHE 13 HE2 PHE 13 -2.879 22.321 2.592 80 HZ PHE 13 HZ PHE 13 -3.127 24.536 3.639 81 H ALA 14 HN ALA 14 -9.636 21.224 2.557 82 HA ALA 14 HA ALA 14 -10.465 23.313 4.434 83 HB1 ALA 14 HB1 ALA 14 -10.116 23.685 1.458 84 HB2 ALA 14 HB2 ALA 14 -9.066 24.353 2.708 85 HB3 ALA 14 HB3 ALA 14 -10.744 24.886 2.588 86 H TYR 15 HN TYR 15 -12.665 24.167 3.788 87 HA TYR 15 HA TYR 15 -14.282 22.167 2.410 88 HB2 TYR 15 HB2 TYR 15 -15.930 22.127 4.244 89 HB3 TYR 15 HB1 TYR 15 -14.368 21.507 4.765 90 HD1 TYR 15 HD1 TYR 15 -16.749 24.295 5.059 91 HD2 TYR 15 HD2 TYR 15 -13.056 22.685 6.416 92 HE1 TYR 15 HE1 TYR 15 -16.742 25.896 6.920 93 HE2 TYR 15 HE2 TYR 15 -13.042 24.283 8.283 94 HH TYR 15 HH TYR 15 -14.019 26.513 8.790 95 H LEU 16 HN LEU 16 -16.491 22.960 2.011 96 HA LEU 16 HA LEU 16 -16.528 25.889 1.749 97 HB2 LEU 16 HB2 LEU 16 -16.843 23.867 -0.201 98 HB3 LEU 16 HB1 LEU 16 -18.427 24.573 0.044 99 HG LEU 16 HG LEU 16 -15.949 26.153 -0.643 100 HD11 LEU 16 HD11 LEU 16 -16.925 26.356 -2.879 101 HD12 LEU 16 HD12 LEU 16 -18.225 25.260 -2.409 102 HD13 LEU 16 HD13 LEU 16 -16.562 24.677 -2.479 103 HD21 LEU 16 HD21 LEU 16 -17.624 27.449 0.563 104 HD22 LEU 16 HD22 LEU 16 -18.862 26.933 -0.581 105 HD23 LEU 16 HD23 LEU 16 -17.533 27.957 -1.123 106 H SER 17 HN SER 17 -18.320 26.980 2.339 107 HA SER 17 HA SER 17 -20.118 25.595 4.135 108 HB2 SER 17 HB2 SER 17 -19.884 28.509 3.396 109 HB3 SER 17 HB1 SER 17 -20.881 27.859 4.705 110 HG SER 17 HG SER 17 -19.068 28.355 5.736 111 H LEU 18 HN LEU 18 -20.042 26.796 0.938 112 HA LEU 18 HA LEU 18 -22.939 26.554 0.661 113 HB2 LEU 18 HB2 LEU 18 -20.915 27.680 -1.276 114 HB3 LEU 18 HB1 LEU 18 -22.654 27.688 -1.483 115 HG LEU 18 HG LEU 18 -21.122 29.211 0.625 116 HD11 LEU 18 HD11 LEU 18 -22.551 30.144 -1.856 117 HD12 LEU 18 HD12 LEU 18 -20.806 30.130 -1.594 118 HD13 LEU 18 HD13 LEU 18 -21.835 31.186 -0.627 119 HD21 LEU 18 HD21 LEU 18 -23.285 30.269 1.116 120 HD22 LEU 18 HD22 LEU 18 -23.306 28.538 1.449 121 HD23 LEU 18 HD23 LEU 18 -24.073 29.164 -0.011 122 H ALA 19 HN ALA 19 -23.244 24.400 0.488 123 HA ALA 19 HA ALA 19 -21.487 22.774 -1.096 124 HB1 ALA 19 HB1 ALA 19 -22.495 21.902 0.952 125 HB2 ALA 19 HB2 ALA 19 -22.930 20.931 -0.458 126 HB3 ALA 19 HB3 ALA 19 -24.097 22.062 0.230 127 H LEU 20 HN LEU 20 -21.578 22.971 -3.199 128 HA LEU 20 HA LEU 20 -23.727 23.815 -4.746 129 HB2 LEU 20 HB2 LEU 20 -22.525 22.910 -6.665 130 HB3 LEU 20 HB1 LEU 20 -21.436 23.768 -5.597 131 HG LEU 20 HG LEU 20 -21.672 20.780 -5.407 132 HD11 LEU 20 HD11 LEU 20 -21.286 21.238 -7.764 133 HD12 LEU 20 HD12 LEU 20 -19.831 20.581 -7.014 134 HD13 LEU 20 HD13 LEU 20 -19.947 22.309 -7.352 135 HD21 LEU 20 HD21 LEU 20 -19.297 21.011 -4.720 136 HD22 LEU 20 HD22 LEU 20 -20.413 21.860 -3.657 137 HD23 LEU 20 HD23 LEU 20 -19.465 22.763 -4.840 138 HA PRO 21 HA PRO 21 -26.557 20.430 -4.560 139 HB2 PRO 21 HB2 PRO 21 -27.713 20.771 -7.043 140 HB3 PRO 21 HB1 PRO 21 -28.161 21.676 -5.594 141 HG2 PRO 21 HG2 PRO 21 -26.345 22.463 -7.834 142 HG3 PRO 21 HG1 PRO 21 -27.545 23.440 -6.966 143 HD2 PRO 21 HD2 PRO 21 -24.934 23.654 -6.442 144 HD3 PRO 21 HD1 PRO 21 -26.144 23.766 -5.146 145 H ARG 22 HN ARG 22 -27.004 18.389 -5.546 146 HA ARG 22 HA ARG 22 -24.732 17.120 -6.593 147 HB2 ARG 22 HB2 ARG 22 -27.595 16.221 -6.486 148 HB3 ARG 22 HB1 ARG 22 -26.272 15.195 -7.015 149 HG2 ARG 22 HG2 ARG 22 -25.210 15.474 -4.812 150 HG3 ARG 22 HG1 ARG 22 -26.598 16.431 -4.293 151 HD2 ARG 22 HD2 ARG 22 -26.657 13.581 -5.238 152 HD3 ARG 22 HD1 ARG 22 -26.795 14.132 -3.569 153 HE ARG 22 HE ARG 22 -28.839 15.393 -4.493 154 HH11 ARG 22 HH11 ARG 22 -27.755 12.278 -5.692 155 HH12 ARG 22 HH12 ARG 22 -29.351 11.686 -5.987 156 HH21 ARG 22 HH21 ARG 22 -30.967 14.612 -4.893 157 HH22 ARG 22 HH22 ARG 22 -31.185 13.022 -5.542 158 H ALA 23 HN ALA 23 -27.419 18.653 -8.104 159 HA ALA 23 HA ALA 23 -27.143 17.592 -10.697 160 HB1 ALA 23 HB1 ALA 23 -28.082 20.344 -9.896 161 HB2 ALA 23 HB2 ALA 23 -29.089 18.899 -9.993 162 HB3 ALA 23 HB3 ALA 23 -28.361 19.567 -11.453 163 H HIS 24 HN HIS 24 -25.183 19.801 -8.921 164 HA HIS 24 HA HIS 24 -23.807 20.744 -11.317 165 HB2 HIS 24 HB2 HIS 24 -23.898 21.635 -8.461 166 HB3 HIS 24 HB1 HIS 24 -22.521 22.071 -9.461 167 HD1 HIS 24 HD1 HIS 24 -23.500 24.565 -8.937 168 HD2 HIS 24 HD2 HIS 24 -25.734 22.166 -11.495 169 HE1 HIS 24 HE1 HIS 24 -25.031 26.127 -10.151 170 H VAL 25 HN VAL 25 -23.559 18.370 -8.907 171 HA VAL 25 HA VAL 25 -20.655 18.095 -9.282 172 HB VAL 25 HB VAL 25 -21.936 18.065 -6.940 173 HG11 VAL 25 HG11 VAL 25 -23.389 16.162 -7.592 174 HG12 VAL 25 HG12 VAL 25 -22.455 15.874 -6.123 175 HG13 VAL 25 HG13 VAL 25 -21.952 15.139 -7.644 176 HG21 VAL 25 HG21 VAL 25 -20.107 16.762 -5.992 177 HG22 VAL 25 HG22 VAL 25 -19.530 17.909 -7.203 178 HG23 VAL 25 HG23 VAL 25 -19.670 16.195 -7.605 179 H LYS 26 HN LYS 26 -19.782 16.049 -9.883 180 HA LYS 26 HA LYS 26 -21.761 14.376 -11.248 181 HB2 LYS 26 HB2 LYS 26 -20.114 15.541 -12.723 182 HB3 LYS 26 HB1 LYS 26 -18.829 14.646 -11.929 183 HG2 LYS 26 HG2 LYS 26 -19.480 12.622 -12.876 184 HG3 LYS 26 HG1 LYS 26 -21.101 13.210 -13.251 185 HD2 LYS 26 HD2 LYS 26 -19.750 13.024 -15.280 186 HD3 LYS 26 HD1 LYS 26 -20.169 14.704 -14.956 187 HE2 LYS 26 HE2 LYS 26 -17.854 14.550 -15.658 188 HE3 LYS 26 HE1 LYS 26 -17.934 15.045 -13.969 189 HZ1 LYS 26 HZ1 LYS 26 -17.464 12.251 -14.853 190 HZ2 LYS 26 HZ2 LYS 26 -17.345 12.858 -13.272 191 HZ3 LYS 26 HZ3 LYS 26 -16.236 13.337 -14.450 192 H GLU 27 HN GLU 27 -18.725 14.238 -9.372 193 HA GLU 27 HA GLU 27 -19.723 11.906 -8.013 194 HB2 GLU 27 HB2 GLU 27 -17.835 10.425 -8.525 195 HB3 GLU 27 HB1 GLU 27 -18.765 10.819 -9.959 196 HG2 GLU 27 HG2 GLU 27 -16.412 12.490 -9.387 197 HG3 GLU 27 HG1 GLU 27 -16.117 10.826 -9.897 198 H TYR 28 HN TYR 28 -17.688 10.968 -6.608 199 HA TYR 28 HA TYR 28 -16.318 13.251 -5.402 200 HB2 TYR 28 HB2 TYR 28 -16.939 12.645 -3.187 201 HB3 TYR 28 HB1 TYR 28 -18.439 12.603 -4.101 202 HD1 TYR 28 HD1 TYR 28 -16.050 10.675 -2.149 203 HD2 TYR 28 HD2 TYR 28 -19.438 10.384 -4.701 204 HE1 TYR 28 HE1 TYR 28 -16.429 8.370 -1.378 205 HE2 TYR 28 HE2 TYR 28 -19.825 8.084 -3.940 206 HH TYR 28 HH TYR 28 -18.310 6.766 -1.223 207 H PHE 29 HN PHE 29 -14.500 12.568 -4.072 208 HA PHE 29 HA PHE 29 -13.511 9.874 -4.373 209 HB2 PHE 29 HB2 PHE 29 -12.419 12.187 -5.922 210 HB3 PHE 29 HB1 PHE 29 -11.311 10.924 -5.383 211 HD1 PHE 29 HD1 PHE 29 -13.305 12.048 -8.005 212 HD2 PHE 29 HD2 PHE 29 -12.186 8.470 -5.991 213 HE1 PHE 29 HE1 PHE 29 -13.916 10.740 -9.996 214 HE2 PHE 29 HE2 PHE 29 -12.795 7.156 -7.980 215 HZ PHE 29 HZ PHE 29 -13.662 8.293 -9.986 216 H TYR 30 HN TYR 30 -11.152 9.886 -3.395 217 HA TYR 30 HA TYR 30 -11.217 11.763 -1.137 218 HB2 TYR 30 HB2 TYR 30 -10.237 8.903 -1.180 219 HB3 TYR 30 HB1 TYR 30 -10.067 10.000 0.187 220 HD1 TYR 30 HD1 TYR 30 -12.033 7.450 -1.164 221 HD2 TYR 30 HD2 TYR 30 -12.367 11.137 0.928 222 HE1 TYR 30 HE1 TYR 30 -14.268 6.794 -0.377 223 HE2 TYR 30 HE2 TYR 30 -14.600 10.490 1.726 224 HH TYR 30 HH TYR 30 -15.806 7.320 1.439 225 H THR 31 HN THR 31 -9.253 12.562 -0.347 226 HA THR 31 HA THR 31 -7.345 13.133 -2.353 227 HB THR 31 HB THR 31 -6.005 14.103 -0.413 228 HG1 THR 31 HG1 THR 31 -6.646 13.477 1.488 229 HG21 THR 31 HG21 THR 31 -8.860 15.040 -0.747 230 HG22 THR 31 HG22 THR 31 -7.528 15.423 -1.838 231 HG23 THR 31 HG23 THR 31 -7.500 16.009 -0.175 232 H SER 32 HN SER 32 -4.920 12.929 -1.765 233 HA SER 32 HA SER 32 -4.236 10.218 -2.032 234 HB2 SER 32 HB2 SER 32 -2.422 12.520 -1.307 235 HB3 SER 32 HB1 SER 32 -1.962 11.009 -2.091 236 HG SER 32 HG SER 32 -3.274 13.243 -3.128 237 H SER 33 HN SER 33 -2.891 8.927 -0.636 238 HA SER 33 HA SER 33 -3.632 9.125 2.138 239 HB2 SER 33 HB2 SER 33 -1.704 7.204 0.828 240 HB3 SER 33 HB1 SER 33 -2.508 7.002 2.385 241 HG SER 33 HG SER 33 -4.462 7.381 0.770 242 H LYS 34 HN LYS 34 -1.246 10.454 0.259 243 HA LYS 34 HA LYS 34 0.937 10.430 2.124 244 HB2 LYS 34 HB2 LYS 34 0.517 12.357 -0.161 245 HB3 LYS 34 HB1 LYS 34 2.039 11.887 0.575 246 HG2 LYS 34 HG2 LYS 34 0.262 10.071 -1.048 247 HG3 LYS 34 HG1 LYS 34 1.701 10.894 -1.647 248 HD2 LYS 34 HD2 LYS 34 3.067 9.671 -0.011 249 HD3 LYS 34 HD1 LYS 34 1.619 8.843 0.571 250 HE2 LYS 34 HE2 LYS 34 1.280 7.870 -1.643 251 HE3 LYS 34 HE1 LYS 34 2.706 8.708 -2.242 252 HZ1 LYS 34 HZ1 LYS 34 2.660 6.617 -0.138 253 HZ2 LYS 34 HZ2 LYS 34 4.044 7.441 -0.655 254 HZ3 LYS 34 HZ3 LYS 34 3.216 6.431 -1.725 255 H CYS 35 HN CYS 35 -1.942 12.201 1.694 256 HA CYS 35 HA CYS 35 -1.196 14.693 2.787 257 HB2 CYS 35 HB2 CYS 35 -3.918 13.381 2.747 258 HB3 CYS 35 HB1 CYS 35 -3.586 15.096 2.962 259 H SER 36 HN SER 36 -1.498 15.505 4.855 260 HA SER 36 HA SER 36 -1.204 13.582 6.972 261 HB2 SER 36 HB2 SER 36 -1.361 16.604 7.092 262 HB3 SER 36 HB1 SER 36 -0.810 15.538 8.385 263 HG SER 36 HG SER 36 0.666 16.608 6.528 264 H ASN 37 HN ASN 37 -3.819 14.524 5.387 265 HA ASN 37 HA ASN 37 -5.598 13.866 7.559 266 HB2 ASN 37 HB2 ASN 37 -7.029 15.822 7.321 267 HB3 ASN 37 HB1 ASN 37 -5.398 16.356 7.705 268 HD21 ASN 37 HD21 ASN 37 -7.900 16.272 5.311 269 HD22 ASN 37 HD22 ASN 37 -7.151 17.368 4.195 270 H LEU 38 HN LEU 38 -7.971 14.007 6.531 271 HA LEU 38 HA LEU 38 -7.762 12.832 3.842 272 HB2 LEU 38 HB2 LEU 38 -8.402 11.307 5.799 273 HB3 LEU 38 HB1 LEU 38 -9.894 12.210 5.894 274 HG LEU 38 HG LEU 38 -10.062 10.003 4.716 275 HD11 LEU 38 HD11 LEU 38 -11.767 11.632 4.341 276 HD12 LEU 38 HD12 LEU 38 -11.401 10.811 2.825 277 HD13 LEU 38 HD13 LEU 38 -10.788 12.439 3.117 278 HD21 LEU 38 HD21 LEU 38 -9.220 9.798 2.448 279 HD22 LEU 38 HD22 LEU 38 -7.892 10.071 3.577 280 HD23 LEU 38 HD23 LEU 38 -8.474 11.390 2.561 281 H ALA 39 HN ALA 39 -8.911 13.804 2.275 282 HA ALA 39 HA ALA 39 -11.181 15.486 3.037 283 HB1 ALA 39 HB1 ALA 39 -9.027 16.303 1.088 284 HB2 ALA 39 HB2 ALA 39 -9.267 16.978 2.698 285 HB3 ALA 39 HB3 ALA 39 -10.492 17.212 1.451 286 H VAL 40 HN VAL 40 -12.608 15.937 1.172 287 HA VAL 40 HA VAL 40 -12.630 13.614 -0.631 288 HB VAL 40 HB VAL 40 -14.984 15.341 0.144 289 HG11 VAL 40 HG11 VAL 40 -14.879 12.666 -1.219 290 HG12 VAL 40 HG12 VAL 40 -15.213 14.211 -2.001 291 HG13 VAL 40 HG13 VAL 40 -16.335 13.570 -0.800 292 HG21 VAL 40 HG21 VAL 40 -14.114 14.162 2.100 293 HG22 VAL 40 HG22 VAL 40 -14.177 12.642 1.208 294 HG23 VAL 40 HG23 VAL 40 -15.670 13.497 1.600 295 H VAL 41 HN VAL 41 -12.690 13.904 -2.738 296 HA VAL 41 HA VAL 41 -12.491 16.647 -3.750 297 HB VAL 41 HB VAL 41 -11.667 14.056 -5.077 298 HG11 VAL 41 HG11 VAL 41 -11.163 16.916 -5.885 299 HG12 VAL 41 HG12 VAL 41 -12.280 15.801 -6.671 300 HG13 VAL 41 HG13 VAL 41 -10.545 15.483 -6.706 301 HG21 VAL 41 HG21 VAL 41 -9.974 16.171 -3.746 302 HG22 VAL 41 HG22 VAL 41 -9.363 14.780 -4.642 303 HG23 VAL 41 HG23 VAL 41 -10.264 14.538 -3.144 304 H PHE 42 HN PHE 42 -14.233 17.409 -4.706 305 HA PHE 42 HA PHE 42 -16.164 15.520 -5.845 306 HB2 PHE 42 HB2 PHE 42 -16.460 18.380 -4.951 307 HB3 PHE 42 HB1 PHE 42 -17.710 17.510 -5.831 308 HD1 PHE 42 HD1 PHE 42 -16.223 18.151 -2.655 309 HD2 PHE 42 HD2 PHE 42 -18.661 15.419 -4.814 310 HE1 PHE 42 HE1 PHE 42 -17.061 17.220 -0.531 311 HE2 PHE 42 HE2 PHE 42 -19.509 14.489 -2.706 312 HZ PHE 42 HZ PHE 42 -18.717 15.384 -0.565 313 H VAL 43 HN VAL 43 -16.324 15.338 -7.931 314 HA VAL 43 HA VAL 43 -15.034 17.336 -9.622 315 HB VAL 43 HB VAL 43 -16.019 14.535 -10.221 316 HG11 VAL 43 HG11 VAL 43 -16.382 15.974 -12.163 317 HG12 VAL 43 HG12 VAL 43 -15.100 14.803 -12.454 318 HG13 VAL 43 HG13 VAL 43 -14.693 16.487 -12.105 319 HG21 VAL 43 HG21 VAL 43 -13.246 15.729 -10.141 320 HG22 VAL 43 HG22 VAL 43 -13.633 14.071 -10.605 321 HG23 VAL 43 HG23 VAL 43 -13.941 14.620 -8.957 322 H THR 44 HN THR 44 -16.243 18.868 -10.424 323 HA THR 44 HA THR 44 -19.098 18.806 -10.245 324 HB THR 44 HB THR 44 -19.005 21.030 -11.314 325 HG1 THR 44 HG1 THR 44 -16.197 20.919 -11.235 326 HG21 THR 44 HG21 THR 44 -16.930 20.640 -9.157 327 HG22 THR 44 HG22 THR 44 -18.664 20.831 -8.887 328 HG23 THR 44 HG23 THR 44 -17.722 22.161 -9.564 329 H ARG 45 HN ARG 45 -20.374 19.647 -12.227 330 HA ARG 45 HA ARG 45 -20.210 17.703 -14.298 331 HB2 ARG 45 HB2 ARG 45 -21.783 20.287 -14.284 332 HB3 ARG 45 HB1 ARG 45 -22.060 18.914 -15.340 333 HG2 ARG 45 HG2 ARG 45 -22.457 18.997 -12.358 334 HG3 ARG 45 HG1 ARG 45 -23.715 18.970 -13.591 335 HD2 ARG 45 HD2 ARG 45 -21.732 16.787 -12.970 336 HD3 ARG 45 HD1 ARG 45 -23.461 16.770 -12.635 337 HE ARG 45 HE ARG 45 -22.603 17.038 -15.413 338 HH11 ARG 45 HH11 ARG 45 -23.997 15.015 -12.892 339 HH12 ARG 45 HH12 ARG 45 -24.558 13.821 -14.011 340 HH21 ARG 45 HH21 ARG 45 -23.347 15.467 -16.859 341 HH22 ARG 45 HH22 ARG 45 -24.190 14.076 -16.267 342 H ARG 46 HN ARG 46 -18.654 20.633 -13.761 343 HA ARG 46 HA ARG 46 -18.070 21.153 -16.567 344 HB2 ARG 46 HB2 ARG 46 -17.550 22.593 -13.988 345 HB3 ARG 46 HB1 ARG 46 -16.551 22.958 -15.381 346 HG2 ARG 46 HG2 ARG 46 -18.369 24.547 -15.170 347 HG3 ARG 46 HG1 ARG 46 -18.538 23.602 -16.646 348 HD2 ARG 46 HD2 ARG 46 -20.216 22.210 -15.590 349 HD3 ARG 46 HD1 ARG 46 -20.000 23.069 -14.066 350 HE ARG 46 HE ARG 46 -20.790 25.085 -15.299 351 HH11 ARG 46 HH11 ARG 46 -21.723 21.879 -16.387 352 HH12 ARG 46 HH12 ARG 46 -23.204 22.405 -17.096 353 HH21 ARG 46 HH21 ARG 46 -22.781 25.785 -16.263 354 HH22 ARG 46 HH22 ARG 46 -23.798 24.624 -17.036 355 H ASN 47 HN ASN 47 -17.112 18.938 -14.489 356 HA ASN 47 HA ASN 47 -15.347 17.558 -14.265 357 HB2 ASN 47 HB2 ASN 47 -14.456 18.995 -16.757 358 HB3 ASN 47 HB1 ASN 47 -13.473 17.741 -16.007 359 HD21 ASN 47 HD21 ASN 47 -16.415 18.446 -17.705 360 HD22 ASN 47 HD22 ASN 47 -16.812 16.816 -18.108 361 H ARG 48 HN ARG 48 -15.450 20.378 -13.170 362 HA ARG 48 HA ARG 48 -12.603 20.779 -12.632 363 HB2 ARG 48 HB2 ARG 48 -14.085 22.744 -13.196 364 HB3 ARG 48 HB1 ARG 48 -14.938 22.454 -11.684 365 HG2 ARG 48 HG2 ARG 48 -12.698 22.699 -10.531 366 HG3 ARG 48 HG1 ARG 48 -12.085 23.307 -12.069 367 HD2 ARG 48 HD2 ARG 48 -13.842 25.056 -12.021 368 HD3 ARG 48 HD1 ARG 48 -14.327 24.479 -10.426 369 HE ARG 48 HE ARG 48 -12.074 26.125 -11.070 370 HH11 ARG 48 HH11 ARG 48 -13.239 23.747 -8.757 371 HH12 ARG 48 HH12 ARG 48 -12.206 24.295 -7.486 372 HH21 ARG 48 HH21 ARG 48 -10.719 26.869 -9.340 373 HH22 ARG 48 HH22 ARG 48 -10.754 26.040 -7.816 374 H GLN 49 HN GLN 49 -11.751 19.910 -10.881 375 HA GLN 49 HA GLN 49 -13.525 18.665 -8.965 376 HB2 GLN 49 HB2 GLN 49 -11.392 17.742 -8.014 377 HB3 GLN 49 HB1 GLN 49 -11.751 17.272 -9.667 378 HG2 GLN 49 HG2 GLN 49 -10.189 18.953 -10.479 379 HG3 GLN 49 HG1 GLN 49 -9.804 19.402 -8.816 380 HE21 GLN 49 HE21 GLN 49 -9.995 16.619 -7.937 381 HE22 GLN 49 HE22 GLN 49 -8.546 15.841 -8.485 382 H VAL 50 HN VAL 50 -13.392 18.949 -6.739 383 HA VAL 50 HA VAL 50 -12.043 21.331 -5.725 384 HB VAL 50 HB VAL 50 -14.416 21.913 -6.449 385 HG11 VAL 50 HG11 VAL 50 -16.262 21.175 -5.062 386 HG12 VAL 50 HG12 VAL 50 -15.162 20.103 -4.188 387 HG13 VAL 50 HG13 VAL 50 -15.471 19.839 -5.904 388 HG21 VAL 50 HG21 VAL 50 -13.238 23.274 -4.808 389 HG22 VAL 50 HG22 VAL 50 -13.770 22.196 -3.518 390 HG23 VAL 50 HG23 VAL 50 -14.952 23.163 -4.402 391 H CYS 51 HN CYS 51 -11.989 21.280 -3.309 392 HA CYS 51 HA CYS 51 -12.373 18.542 -2.310 393 HB2 CYS 51 HB2 CYS 51 -10.211 20.523 -1.691 394 HB3 CYS 51 HB1 CYS 51 -10.518 19.099 -0.707 395 H ALA 52 HN ALA 52 -12.903 18.270 -0.141 396 HA ALA 52 HA ALA 52 -13.436 20.488 1.578 397 HB1 ALA 52 HB1 ALA 52 -15.766 18.832 0.591 398 HB2 ALA 52 HB2 ALA 52 -15.483 20.539 0.244 399 HB3 ALA 52 HB3 ALA 52 -15.828 20.020 1.894 400 H ASN 53 HN ASN 53 -13.952 19.789 3.731 401 HA ASN 53 HA ASN 53 -12.678 17.294 4.344 402 HB2 ASN 53 HB2 ASN 53 -14.035 19.276 6.192 403 HB3 ASN 53 HB1 ASN 53 -13.072 17.898 6.710 404 HD21 ASN 53 HD21 ASN 53 -10.815 17.931 6.327 405 HD22 ASN 53 HD22 ASN 53 -9.984 19.424 6.086 406 HA PRO 54 HA PRO 54 -16.365 14.793 4.434 407 HB2 PRO 54 HB2 PRO 54 -15.364 12.655 5.704 408 HB3 PRO 54 HB1 PRO 54 -14.818 13.077 4.073 409 HG2 PRO 54 HG2 PRO 54 -13.550 13.745 6.710 410 HG3 PRO 54 HG1 PRO 54 -12.797 12.994 5.286 411 HD2 PRO 54 HD2 PRO 54 -12.546 15.611 5.767 412 HD3 PRO 54 HD1 PRO 54 -12.750 14.997 4.112 413 H GLU 55 HN GLU 55 -15.308 16.575 6.853 414 HA GLU 55 HA GLU 55 -16.495 15.201 9.091 415 HB2 GLU 55 HB2 GLU 55 -15.327 17.983 8.940 416 HB3 GLU 55 HB1 GLU 55 -15.688 17.080 10.405 417 HG2 GLU 55 HG2 GLU 55 -13.956 15.517 9.968 418 HG3 GLU 55 HG1 GLU 55 -13.708 16.153 8.344 419 H LYS 56 HN LYS 56 -17.529 17.252 6.640 420 HA LYS 56 HA LYS 56 -19.634 18.469 8.263 421 HB2 LYS 56 HB2 LYS 56 -18.865 18.947 5.380 422 HB3 LYS 56 HB1 LYS 56 -20.162 19.784 6.224 423 HG2 LYS 56 HG2 LYS 56 -18.436 20.570 7.871 424 HG3 LYS 56 HG1 LYS 56 -17.212 19.913 6.787 425 HD2 LYS 56 HD2 LYS 56 -17.463 22.278 6.364 426 HD3 LYS 56 HD1 LYS 56 -18.085 21.373 4.983 427 HE2 LYS 56 HE2 LYS 56 -20.344 21.754 5.656 428 HE3 LYS 56 HE1 LYS 56 -19.832 22.407 7.211 429 HZ1 LYS 56 HZ1 LYS 56 -20.500 24.121 5.615 430 HZ2 LYS 56 HZ2 LYS 56 -19.240 23.667 4.580 431 HZ3 LYS 56 HZ3 LYS 56 -18.901 24.299 6.117 432 H LYS 57 HN LYS 57 -21.772 18.060 8.047 433 HA LYS 57 HA LYS 57 -22.543 15.492 7.222 434 HB2 LYS 57 HB2 LYS 57 -23.753 16.740 8.953 435 HB3 LYS 57 HB1 LYS 57 -24.306 17.889 7.743 436 HG2 LYS 57 HG2 LYS 57 -25.549 16.119 6.613 437 HG3 LYS 57 HG1 LYS 57 -24.978 14.950 7.801 438 HD2 LYS 57 HD2 LYS 57 -27.232 15.642 8.341 439 HD3 LYS 57 HD1 LYS 57 -26.118 16.233 9.570 440 HE2 LYS 57 HE2 LYS 57 -26.131 18.444 8.537 441 HE3 LYS 57 HE1 LYS 57 -27.195 17.853 7.261 442 HZ1 LYS 57 HZ1 LYS 57 -28.875 17.403 8.939 443 HZ2 LYS 57 HZ2 LYS 57 -28.437 19.031 8.949 444 HZ3 LYS 57 HZ3 LYS 57 -27.857 17.991 10.150 445 H TRP 58 HN TRP 58 -22.757 18.596 5.585 446 HA TRP 58 HA TRP 58 -24.489 17.877 3.508 447 HB2 TRP 58 HB2 TRP 58 -22.181 19.837 3.490 448 HB3 TRP 58 HB1 TRP 58 -23.404 19.724 2.230 449 HD1 TRP 58 HD1 TRP 58 -22.920 20.903 5.839 450 HE1 TRP 58 HE1 TRP 58 -24.894 22.426 6.477 451 HE3 TRP 58 HE3 TRP 58 -25.852 20.207 1.709 452 HZ2 TRP 58 HZ2 TRP 58 -27.367 23.226 5.376 453 HZ3 TRP 58 HZ3 TRP 58 -28.005 21.388 1.579 454 HH2 TRP 58 HH2 TRP 58 -28.746 22.866 3.375 455 H VAL 59 HN VAL 59 -21.044 17.529 3.898 456 HA VAL 59 HA VAL 59 -20.470 16.618 1.284 457 HB VAL 59 HB VAL 59 -18.972 16.129 3.881 458 HG11 VAL 59 HG11 VAL 59 -18.355 14.547 2.082 459 HG12 VAL 59 HG12 VAL 59 -17.036 15.620 2.548 460 HG13 VAL 59 HG13 VAL 59 -17.930 15.923 1.063 461 HG21 VAL 59 HG21 VAL 59 -18.553 18.239 1.765 462 HG22 VAL 59 HG22 VAL 59 -17.551 18.000 3.196 463 HG23 VAL 59 HG23 VAL 59 -19.233 18.504 3.369 464 H GLN 60 HN GLN 60 -21.242 15.030 4.306 465 HA GLN 60 HA GLN 60 -20.849 12.379 3.400 466 HB2 GLN 60 HB2 GLN 60 -22.644 13.332 5.633 467 HB3 GLN 60 HB1 GLN 60 -22.006 11.708 5.427 468 HG2 GLN 60 HG2 GLN 60 -20.348 14.163 5.933 469 HG3 GLN 60 HG1 GLN 60 -20.843 13.008 7.164 470 HE21 GLN 60 HE21 GLN 60 -18.781 13.602 4.454 471 HE22 GLN 60 HE22 GLN 60 -17.749 12.236 4.687 472 H GLU 61 HN GLU 61 -23.653 14.499 3.613 473 HA GLU 61 HA GLU 61 -25.527 12.583 2.807 474 HB2 GLU 61 HB2 GLU 61 -25.528 15.587 2.668 475 HB3 GLU 61 HB1 GLU 61 -26.911 14.596 2.221 476 HG2 GLU 61 HG2 GLU 61 -25.589 14.539 4.911 477 HG3 GLU 61 HG1 GLU 61 -26.998 15.514 4.519 478 H TYR 62 HN TYR 62 -23.663 15.008 1.027 479 HA TYR 62 HA TYR 62 -24.894 14.391 -1.454 480 HB2 TYR 62 HB2 TYR 62 -22.444 15.915 -0.670 481 HB3 TYR 62 HB1 TYR 62 -22.691 15.494 -2.364 482 HD1 TYR 62 HD1 TYR 62 -24.670 16.916 0.483 483 HD2 TYR 62 HD2 TYR 62 -23.772 17.045 -3.670 484 HE1 TYR 62 HE1 TYR 62 -26.214 18.807 0.219 485 HE2 TYR 62 HE2 TYR 62 -25.310 18.937 -3.941 486 HH TYR 62 HH TYR 62 -26.443 20.773 -1.468 487 H ILE 63 HN ILE 63 -22.022 13.210 0.167 488 HA ILE 63 HA ILE 63 -21.075 11.576 -1.922 489 HB ILE 63 HB ILE 63 -20.796 11.419 1.076 490 HG12 ILE 63 HG12 ILE 63 -18.778 11.938 -1.115 491 HG13 ILE 63 HG11 ILE 63 -19.537 13.170 -0.110 492 HG21 ILE 63 HG21 ILE 63 -19.577 9.508 -0.908 493 HG22 ILE 63 HG22 ILE 63 -20.800 9.129 0.306 494 HG23 ILE 63 HG23 ILE 63 -19.176 9.603 0.809 495 HD11 ILE 63 HD11 ILE 63 -18.493 12.168 1.872 496 HD12 ILE 63 HD12 ILE 63 -17.307 12.688 0.677 497 HD13 ILE 63 HD13 ILE 63 -17.705 10.978 0.836 498 H ASN 64 HN ASN 64 -23.217 10.876 0.803 499 HA ASN 64 HA ASN 64 -23.591 8.177 0.091 500 HB2 ASN 64 HB2 ASN 64 -24.289 8.179 2.204 501 HB3 ASN 64 HB1 ASN 64 -24.424 9.931 2.207 502 HD21 ASN 64 HD21 ASN 64 -26.370 10.861 1.897 503 HD22 ASN 64 HD22 ASN 64 -27.863 9.989 1.946 504 H TYR 65 HN TYR 65 -25.241 11.125 -0.791 505 HA TYR 65 HA TYR 65 -27.511 9.838 -1.957 506 HB2 TYR 65 HB2 TYR 65 -26.373 12.597 -2.393 507 HB3 TYR 65 HB1 TYR 65 -27.852 12.030 -3.142 508 HD1 TYR 65 HD1 TYR 65 -27.460 14.478 -1.399 509 HD2 TYR 65 HD2 TYR 65 -28.712 10.519 -0.463 510 HE1 TYR 65 HE1 TYR 65 -28.697 15.338 0.532 511 HE2 TYR 65 HE2 TYR 65 -29.958 11.378 1.480 512 HH TYR 65 HH TYR 65 -29.718 13.503 3.019 513 H LEU 66 HN LEU 66 -24.417 11.041 -3.209 514 HA LEU 66 HA LEU 66 -25.264 10.369 -5.878 515 HB2 LEU 66 HB2 LEU 66 -23.504 11.563 -6.661 516 HB3 LEU 66 HB1 LEU 66 -23.630 12.268 -5.068 517 HG LEU 66 HG LEU 66 -21.796 10.475 -4.470 518 HD11 LEU 66 HD11 LEU 66 -20.255 10.126 -6.384 519 HD12 LEU 66 HD12 LEU 66 -21.469 10.821 -7.453 520 HD13 LEU 66 HD13 LEU 66 -21.806 9.317 -6.601 521 HD21 LEU 66 HD21 LEU 66 -20.088 12.168 -5.076 522 HD22 LEU 66 HD22 LEU 66 -21.493 12.860 -4.270 523 HD23 LEU 66 HD23 LEU 66 -21.311 13.019 -6.016 524 H GLU 67 HN GLU 67 -23.396 8.811 -3.379 525 HA GLU 67 HA GLU 67 -22.295 6.820 -5.098 526 HB2 GLU 67 HB2 GLU 67 -21.546 5.689 -3.155 527 HB3 GLU 67 HB1 GLU 67 -21.449 7.401 -2.764 528 HG2 GLU 67 HG2 GLU 67 -23.465 7.272 -1.479 529 HG3 GLU 67 HG1 GLU 67 -23.721 5.604 -1.968 530 H MET 68 HN MET 68 -25.326 7.156 -3.351 531 HA MET 68 HA MET 68 -26.087 4.417 -3.763 532 HB2 MET 68 HB2 MET 68 -28.244 5.018 -2.839 533 HB3 MET 68 HB1 MET 68 -26.979 5.729 -1.852 534 HG2 MET 68 HG2 MET 68 -27.368 7.890 -2.834 535 HG3 MET 68 HG1 MET 68 -28.533 7.202 -3.966 536 HE1 MET 68 HE1 MET 68 -30.839 6.169 -3.250 537 HE2 MET 68 HE2 MET 68 -31.480 6.193 -1.610 538 HE3 MET 68 HE3 MET 68 -30.124 5.140 -2.008 539 H SER 69 HN SER 69 -26.271 7.311 -5.551 540 HA SER 69 HA SER 69 -27.205 7.894 -7.515 541 HB2 SER 69 HB2 SER 69 -26.895 6.225 -9.324 542 HB3 SER 69 HB1 SER 69 -25.483 6.383 -8.282 543 HG SER 69 HG SER 69 -26.962 4.486 -7.222 544 H1 MET 1 HT1 MET 1 -10.669 28.384 -15.371 545 HA MET 1 HA MET 1 -12.446 29.926 -14.969 546 HB2 MET 1 HB2 MET 1 -14.108 28.784 -16.427 547 HB3 MET 1 HB1 MET 1 -14.229 27.495 -15.239 548 HG2 MET 1 HG2 MET 1 -15.032 29.155 -13.587 549 HG3 MET 1 HG1 MET 1 -15.012 30.375 -14.858 550 HE1 MET 1 HE1 MET 1 -18.843 29.794 -14.414 551 HE2 MET 1 HE2 MET 1 -17.553 30.991 -14.521 552 HE3 MET 1 HE3 MET 1 -17.598 29.864 -13.166 553 H SER 2 HN SER 2 -11.862 30.294 -12.926 554 HA SER 2 HA SER 2 -12.265 28.114 -11.001 555 HB2 SER 2 HB2 SER 2 -9.844 28.477 -11.517 556 HB3 SER 2 HB1 SER 2 -10.003 30.120 -10.899 557 HG SER 2 HG SER 2 -9.410 29.090 -9.128 558 HA PRO 3 HA PRO 3 -14.475 31.683 -9.250 559 HB2 PRO 3 HB2 PRO 3 -16.878 30.522 -8.975 560 HB3 PRO 3 HB1 PRO 3 -16.327 31.149 -10.531 561 HG2 PRO 3 HG2 PRO 3 -16.601 28.348 -9.627 562 HG3 PRO 3 HG1 PRO 3 -16.626 29.006 -11.269 563 HD2 PRO 3 HD2 PRO 3 -14.431 27.756 -9.897 564 HD3 PRO 3 HD1 PRO 3 -14.447 28.436 -11.535 565 H TYR 4 HN TYR 4 -13.216 28.943 -8.108 566 HA TYR 4 HA TYR 4 -14.286 29.352 -5.403 567 HB2 TYR 4 HB2 TYR 4 -13.512 26.682 -6.614 568 HB3 TYR 4 HB1 TYR 4 -14.077 26.944 -4.969 569 HD1 TYR 4 HD1 TYR 4 -15.040 26.041 -8.237 570 HD2 TYR 4 HD2 TYR 4 -16.454 28.078 -4.779 571 HE1 TYR 4 HE1 TYR 4 -17.355 25.719 -9.001 572 HE2 TYR 4 HE2 TYR 4 -18.773 27.759 -5.533 573 HH TYR 4 HH TYR 4 -19.969 27.388 -7.654 574 H GLY 5 HN GLY 5 -12.706 28.228 -3.779 575 HA2 GLY 5 HA2 GLY 5 -9.925 28.366 -4.639 576 HA3 GLY 5 HA1 GLY 5 -10.434 29.548 -3.439 577 H SER 6 HN SER 6 -11.184 26.121 -3.901 578 HA SER 6 HA SER 6 -9.795 25.380 -1.476 579 HB2 SER 6 HB2 SER 6 -12.805 25.061 -1.674 580 HB3 SER 6 HB1 SER 6 -11.786 24.461 -0.365 581 HG SER 6 HG SER 6 -11.241 27.025 -0.661 582 H ASP 7 HN ASP 7 -9.677 24.752 -4.309 583 HA ASP 7 HA ASP 7 -10.641 22.008 -4.383 584 HB2 ASP 7 HB2 ASP 7 -9.899 22.126 -6.798 585 HB3 ASP 7 HB1 ASP 7 -11.251 23.148 -6.344 586 H THR 8 HN THR 8 -9.083 20.542 -5.725 587 HA THR 8 HA THR 8 -7.210 19.571 -4.072 588 HB THR 8 HB THR 8 -6.067 18.618 -6.156 589 HG1 THR 8 HG1 THR 8 -7.194 20.497 -7.375 590 HG21 THR 8 HG21 THR 8 -7.718 17.394 -4.851 591 HG22 THR 8 HG22 THR 8 -7.961 17.104 -6.574 592 HG23 THR 8 HG23 THR 8 -9.025 18.212 -5.707 593 H THR 9 HN THR 9 -5.454 20.294 -3.186 594 HA THR 9 HA THR 9 -3.880 22.344 -4.516 595 HB THR 9 HB THR 9 -3.624 21.157 -1.741 596 HG1 THR 9 HG1 THR 9 -5.559 22.563 -2.522 597 HG21 THR 9 HG21 THR 9 -2.424 23.666 -2.930 598 HG22 THR 9 HG22 THR 9 -1.545 22.180 -2.575 599 HG23 THR 9 HG23 THR 9 -2.247 23.123 -1.261 600 HA PRO 10 HA PRO 10 -1.117 19.055 -5.758 601 HB2 PRO 10 HB2 PRO 10 0.429 20.992 -7.208 602 HB3 PRO 10 HB1 PRO 10 -0.695 19.791 -7.844 603 HG2 PRO 10 HG2 PRO 10 -1.099 22.534 -7.895 604 HG3 PRO 10 HG1 PRO 10 -2.356 21.303 -8.089 605 HD2 PRO 10 HD2 PRO 10 -1.651 22.940 -5.708 606 HD3 PRO 10 HD1 PRO 10 -3.226 22.317 -6.243 607 H CYS 11 HN CYS 11 0.035 18.533 -3.985 608 HA CYS 11 HA CYS 11 2.253 20.319 -3.261 609 HB2 CYS 11 HB2 CYS 11 0.361 20.273 -1.577 610 HB3 CYS 11 HB1 CYS 11 0.718 18.568 -1.330 611 H CYS 12 HN CYS 12 4.033 19.110 -2.167 612 HA CYS 12 HA CYS 12 4.196 16.286 -2.530 613 HB2 CYS 12 HB2 CYS 12 5.453 18.108 -4.529 614 HB3 CYS 12 HB1 CYS 12 6.311 16.644 -4.061 615 H PHE 13 HN PHE 13 6.061 15.374 -1.649 616 HA PHE 13 HA PHE 13 8.020 17.122 -0.414 617 HB2 PHE 13 HB2 PHE 13 7.723 15.997 1.807 618 HB3 PHE 13 HB1 PHE 13 6.374 17.021 1.344 619 HD1 PHE 13 HD1 PHE 13 7.481 13.611 2.012 620 HD2 PHE 13 HD2 PHE 13 4.214 16.034 0.761 621 HE1 PHE 13 HE1 PHE 13 5.942 11.739 2.422 622 HE2 PHE 13 HE2 PHE 13 2.669 14.163 1.167 623 HZ PHE 13 HZ PHE 13 3.535 12.012 2.000 624 H ALA 14 HN ALA 14 8.165 15.295 -2.577 625 HA ALA 14 HA ALA 14 9.897 13.238 -1.432 626 HB1 ALA 14 HB1 ALA 14 7.918 12.832 -3.677 627 HB2 ALA 14 HB2 ALA 14 7.769 12.190 -2.042 628 HB3 ALA 14 HB3 ALA 14 9.075 11.637 -3.091 629 H TYR 15 HN TYR 15 11.525 12.524 -2.918 630 HA TYR 15 HA TYR 15 12.071 14.477 -5.042 631 HB2 TYR 15 HB2 TYR 15 14.418 14.485 -4.425 632 HB3 TYR 15 HB1 TYR 15 13.452 14.933 -3.024 633 HD1 TYR 15 HD1 TYR 15 15.760 12.502 -4.426 634 HD2 TYR 15 HD2 TYR 15 13.148 13.302 -1.166 635 HE1 TYR 15 HE1 TYR 15 16.848 10.725 -3.129 636 HE2 TYR 15 HE2 TYR 15 14.232 11.525 0.140 637 HH TYR 15 HH TYR 15 17.166 10.191 -0.664 638 H LEU 16 HN LEU 16 13.730 13.645 -6.573 639 HA LEU 16 HA LEU 16 13.758 10.730 -6.717 640 HB2 LEU 16 HB2 LEU 16 12.263 12.357 -8.412 641 HB3 LEU 16 HB1 LEU 16 13.711 11.998 -9.330 642 HG LEU 16 HG LEU 16 11.859 9.949 -8.121 643 HD11 LEU 16 HD11 LEU 16 11.208 9.469 -10.417 644 HD12 LEU 16 HD12 LEU 16 12.273 10.752 -10.997 645 HD13 LEU 16 HD13 LEU 16 10.863 11.152 -10.013 646 HD21 LEU 16 HD21 LEU 16 14.144 9.141 -8.217 647 HD22 LEU 16 HD22 LEU 16 14.254 9.612 -9.911 648 HD23 LEU 16 HD23 LEU 16 13.150 8.327 -9.425 649 H SER 17 HN SER 17 15.683 9.948 -7.024 650 HA SER 17 HA SER 17 17.902 11.765 -7.317 651 HB2 SER 17 HB2 SER 17 17.787 8.768 -6.975 652 HB3 SER 17 HB1 SER 17 19.277 9.719 -6.977 653 HG SER 17 HG SER 17 18.169 9.197 -4.866 654 H LEU 18 HN LEU 18 15.943 9.997 -9.378 655 HA LEU 18 HA LEU 18 17.963 9.832 -11.481 656 HB2 LEU 18 HB2 LEU 18 15.099 8.887 -11.588 657 HB3 LEU 18 HB1 LEU 18 16.395 8.476 -12.689 658 HG LEU 18 HG LEU 18 16.289 7.639 -9.792 659 HD11 LEU 18 HD11 LEU 18 15.701 6.047 -12.277 660 HD12 LEU 18 HD12 LEU 18 14.511 6.603 -11.100 661 HD13 LEU 18 HD13 LEU 18 15.739 5.430 -10.625 662 HD21 LEU 18 HD21 LEU 18 18.560 7.810 -10.669 663 HD22 LEU 18 HD22 LEU 18 18.114 6.798 -12.043 664 HD23 LEU 18 HD23 LEU 18 18.107 6.126 -10.413 665 H ALA 19 HN ALA 19 18.081 12.120 -11.695 666 HA ALA 19 HA ALA 19 15.780 13.653 -12.414 667 HB1 ALA 19 HB1 ALA 19 17.657 14.667 -11.216 668 HB2 ALA 19 HB2 ALA 19 17.355 15.489 -12.747 669 HB3 ALA 19 HB3 ALA 19 18.706 14.366 -12.600 670 H LEU 20 HN LEU 20 14.840 13.582 -14.307 671 HA LEU 20 HA LEU 20 16.012 12.424 -16.600 672 HB2 LEU 20 HB2 LEU 20 13.955 13.352 -17.771 673 HB3 LEU 20 HB1 LEU 20 13.670 12.230 -16.460 674 HG LEU 20 HG LEU 20 13.316 14.375 -15.018 675 HD11 LEU 20 HD11 LEU 20 14.105 15.989 -16.659 676 HD12 LEU 20 HD12 LEU 20 12.418 16.280 -16.237 677 HD13 LEU 20 HD13 LEU 20 12.823 15.502 -17.767 678 HD21 LEU 20 HD21 LEU 20 10.947 14.415 -15.629 679 HD22 LEU 20 HD22 LEU 20 11.569 12.768 -15.531 680 HD23 LEU 20 HD23 LEU 20 11.315 13.523 -17.105 681 HA PRO 21 HA PRO 21 18.481 15.626 -18.330 682 HB2 PRO 21 HB2 PRO 21 17.642 15.292 -21.002 683 HB3 PRO 21 HB1 PRO 21 19.017 14.509 -20.225 684 HG2 PRO 21 HG2 PRO 21 16.275 13.473 -20.710 685 HG3 PRO 21 HG1 PRO 21 17.819 12.604 -20.689 686 HD2 PRO 21 HD2 PRO 21 16.074 12.411 -18.672 687 HD3 PRO 21 HD1 PRO 21 17.826 12.428 -18.378 688 H ARG 22 HN ARG 22 18.343 17.727 -19.077 689 HA ARG 22 HA ARG 22 15.949 19.102 -18.559 690 HB2 ARG 22 HB2 ARG 22 18.410 20.046 -20.027 691 HB3 ARG 22 HB1 ARG 22 17.111 21.091 -19.471 692 HG2 ARG 22 HG2 ARG 22 17.591 20.447 -17.154 693 HG3 ARG 22 HG1 ARG 22 18.897 19.409 -17.724 694 HD2 ARG 22 HD2 ARG 22 18.708 22.396 -18.045 695 HD3 ARG 22 HD1 ARG 22 19.765 21.528 -16.935 696 HE ARG 22 HE ARG 22 19.978 21.437 -19.878 697 HH11 ARG 22 HH11 ARG 22 21.442 21.175 -16.688 698 HH12 ARG 22 HH12 ARG 22 23.054 21.150 -17.288 699 HH21 ARG 22 HH21 ARG 22 22.144 21.397 -20.667 700 HH22 ARG 22 HH22 ARG 22 23.460 21.282 -19.550 701 H ALA 23 HN ALA 23 17.191 17.704 -21.457 702 HA ALA 23 HA ALA 23 15.606 19.127 -23.324 703 HB1 ALA 23 HB1 ALA 23 16.708 16.323 -23.521 704 HB2 ALA 23 HB2 ALA 23 17.555 17.799 -23.985 705 HB3 ALA 23 HB3 ALA 23 16.109 17.298 -24.863 706 H HIS 24 HN HIS 24 14.816 16.804 -20.967 707 HA HIS 24 HA HIS 24 12.362 15.994 -22.312 708 HB2 HIS 24 HB2 HIS 24 13.849 15.019 -19.894 709 HB3 HIS 24 HB1 HIS 24 12.163 14.588 -20.140 710 HD1 HIS 24 HD1 HIS 24 12.056 12.281 -21.064 711 HD2 HIS 24 HD2 HIS 24 15.283 14.409 -22.589 712 HE1 HIS 24 HE1 HIS 24 13.202 10.716 -22.649 713 H VAL 25 HN VAL 25 13.504 18.298 -20.090 714 HA VAL 25 HA VAL 25 10.856 18.636 -18.880 715 HB VAL 25 HB VAL 25 13.096 18.577 -17.514 716 HG11 VAL 25 HG11 VAL 25 14.279 20.252 -18.851 717 HG12 VAL 25 HG12 VAL 25 14.155 20.724 -17.156 718 HG13 VAL 25 HG13 VAL 25 13.099 21.467 -18.356 719 HG21 VAL 25 HG21 VAL 25 12.173 20.082 -15.837 720 HG22 VAL 25 HG22 VAL 25 10.924 19.045 -16.534 721 HG23 VAL 25 HG23 VAL 25 11.049 20.734 -17.031 722 H LYS 26 HN LYS 26 9.821 20.688 -18.939 723 HA LYS 26 HA LYS 26 10.704 22.336 -21.201 724 HB2 LYS 26 HB2 LYS 26 8.462 21.252 -21.413 725 HB3 LYS 26 HB1 LYS 26 7.935 22.141 -19.996 726 HG2 LYS 26 HG2 LYS 26 7.918 24.171 -21.110 727 HG3 LYS 26 HG1 LYS 26 9.007 23.601 -22.375 728 HD2 LYS 26 HD2 LYS 26 6.724 23.840 -23.221 729 HD3 LYS 26 HD1 LYS 26 7.238 22.156 -23.255 730 HE2 LYS 26 HE2 LYS 26 4.945 22.323 -22.469 731 HE3 LYS 26 HE1 LYS 26 5.991 21.749 -21.174 732 HZ1 LYS 26 HZ1 LYS 26 5.226 24.595 -21.466 733 HZ2 LYS 26 HZ2 LYS 26 5.926 23.837 -20.120 734 HZ3 LYS 26 HZ3 LYS 26 4.325 23.495 -20.553 735 H GLU 27 HN GLU 27 9.409 22.500 -17.899 736 HA GLU 27 HA GLU 27 11.054 24.785 -17.366 737 HB2 GLU 27 HB2 GLU 27 9.316 26.348 -16.765 738 HB3 GLU 27 HB1 GLU 27 9.066 25.835 -18.428 739 HG2 GLU 27 HG2 GLU 27 7.637 24.226 -16.472 740 HG3 GLU 27 HG1 GLU 27 7.159 25.924 -16.488 741 H TYR 28 HN TYR 28 10.493 25.632 -15.062 742 HA TYR 28 HA TYR 28 9.837 23.345 -13.336 743 HB2 TYR 28 HB2 TYR 28 11.467 24.089 -11.723 744 HB3 TYR 28 HB1 TYR 28 12.273 24.015 -13.283 745 HD1 TYR 28 HD1 TYR 28 11.429 26.084 -10.462 746 HD2 TYR 28 HD2 TYR 28 12.648 26.203 -14.541 747 HE1 TYR 28 HE1 TYR 28 12.172 28.413 -10.175 748 HE2 TYR 28 HE2 TYR 28 13.397 28.524 -14.258 749 HH TYR 28 HH TYR 28 13.803 29.971 -11.262 750 H PHE 29 HN PHE 29 9.018 24.053 -11.154 751 HA PHE 29 HA PHE 29 7.818 26.664 -11.009 752 HB2 PHE 29 HB2 PHE 29 6.337 25.325 -12.587 753 HB3 PHE 29 HB1 PHE 29 5.980 24.265 -11.235 754 HD1 PHE 29 HD1 PHE 29 6.184 27.976 -11.580 755 HD2 PHE 29 HD2 PHE 29 3.819 24.592 -10.548 756 HE1 PHE 29 HE1 PHE 29 4.339 29.465 -10.938 757 HE2 PHE 29 HE2 PHE 29 1.970 26.078 -9.904 758 HZ PHE 29 HZ PHE 29 2.229 28.518 -10.100 759 H TYR 30 HN TYR 30 6.265 26.617 -8.979 760 HA TYR 30 HA TYR 30 7.565 24.905 -6.975 761 HB2 TYR 30 HB2 TYR 30 6.510 27.717 -6.617 762 HB3 TYR 30 HB1 TYR 30 7.227 26.722 -5.356 763 HD1 TYR 30 HD1 TYR 30 7.877 28.776 -8.306 764 HD2 TYR 30 HD2 TYR 30 9.640 26.306 -5.324 765 HE1 TYR 30 HE1 TYR 30 10.094 29.653 -8.899 766 HE2 TYR 30 HE2 TYR 30 11.863 27.179 -5.910 767 HH TYR 30 HH TYR 30 12.290 29.918 -7.894 768 H THR 31 HN THR 31 6.286 24.053 -5.335 769 HA THR 31 HA THR 31 3.625 23.442 -6.006 770 HB THR 31 HB THR 31 3.496 22.648 -3.575 771 HG1 THR 31 HG1 THR 31 5.281 22.800 -2.350 772 HG21 THR 31 HG21 THR 31 5.771 21.576 -5.255 773 HG22 THR 31 HG22 THR 31 4.066 21.211 -5.523 774 HG23 THR 31 HG23 THR 31 4.850 20.696 -4.031 775 H SER 32 HN SER 32 1.726 23.884 -4.576 776 HA SER 32 HA SER 32 1.155 26.603 -4.540 777 HB2 SER 32 HB2 SER 32 -0.196 24.402 -2.973 778 HB3 SER 32 HB1 SER 32 -0.896 25.967 -3.389 779 HG SER 32 HG SER 32 -0.936 25.397 -5.510 780 H SER 33 HN SER 33 0.839 28.081 -2.832 781 HA SER 33 HA SER 33 2.866 28.032 -0.858 782 HB2 SER 33 HB2 SER 33 0.457 29.841 -0.971 783 HB3 SER 33 HB1 SER 33 1.999 30.164 -0.178 784 HG SER 33 HG SER 33 2.826 29.773 -2.482 785 H LYS 34 HN LYS 34 -0.152 26.560 -0.928 786 HA LYS 34 HA LYS 34 -0.706 26.754 1.902 787 HB2 LYS 34 HB2 LYS 34 -1.981 24.874 -0.091 788 HB3 LYS 34 HB1 LYS 34 -2.618 25.358 1.472 789 HG2 LYS 34 HG2 LYS 34 -2.325 27.085 -0.976 790 HG3 LYS 34 HG1 LYS 34 -3.824 26.484 -0.275 791 HD2 LYS 34 HD2 LYS 34 -3.448 27.822 1.727 792 HD3 LYS 34 HD1 LYS 34 -1.901 28.377 1.084 793 HE2 LYS 34 HE2 LYS 34 -3.117 29.381 -0.834 794 HE3 LYS 34 HE1 LYS 34 -4.635 28.917 -0.071 795 HZ1 LYS 34 HZ1 LYS 34 -2.611 30.731 1.125 796 HZ2 LYS 34 HZ2 LYS 34 -4.116 30.336 1.788 797 HZ3 LYS 34 HZ3 LYS 34 -4.033 31.231 0.360 798 H CYS 35 HN CYS 35 1.317 24.911 -0.061 799 HA CYS 35 HA CYS 35 1.246 22.401 1.214 800 HB2 CYS 35 HB2 CYS 35 3.463 23.801 -0.280 801 HB3 CYS 35 HB1 CYS 35 3.533 22.121 0.242 802 H SER 36 HN SER 36 2.593 21.512 2.788 803 HA SER 36 HA SER 36 3.228 23.250 4.934 804 HB2 SER 36 HB2 SER 36 4.046 20.365 4.565 805 HB3 SER 36 HB1 SER 36 3.886 21.245 6.085 806 HG SER 36 HG SER 36 1.609 21.511 5.463 807 H ASN 37 HN ASN 37 5.084 21.481 2.534 808 HA ASN 37 HA ASN 37 7.488 22.971 3.331 809 HB2 ASN 37 HB2 ASN 37 8.818 21.023 2.630 810 HB3 ASN 37 HB1 ASN 37 7.691 20.595 3.915 811 HD21 ASN 37 HD21 ASN 37 8.489 20.205 0.552 812 HD22 ASN 37 HD22 ASN 37 7.369 18.924 0.232 813 H LEU 38 HN LEU 38 9.056 23.162 1.524 814 HA LEU 38 HA LEU 38 7.660 24.013 -0.853 815 HB2 LEU 38 HB2 LEU 38 10.234 24.532 0.402 816 HB3 LEU 38 HB1 LEU 38 10.362 24.327 -1.331 817 HG LEU 38 HG LEU 38 10.150 26.674 -0.740 818 HD11 LEU 38 HD11 LEU 38 9.244 25.939 -2.869 819 HD12 LEU 38 HD12 LEU 38 8.288 27.264 -2.205 820 HD13 LEU 38 HD13 LEU 38 7.686 25.609 -2.112 821 HD21 LEU 38 HD21 LEU 38 8.084 27.550 0.239 822 HD22 LEU 38 HD22 LEU 38 8.896 26.437 1.340 823 HD23 LEU 38 HD23 LEU 38 7.478 25.906 0.436 824 H ALA 39 HN ALA 39 7.878 23.188 -2.860 825 HA ALA 39 HA ALA 39 9.760 21.070 -3.389 826 HB1 ALA 39 HB1 ALA 39 6.789 20.632 -3.663 827 HB2 ALA 39 HB2 ALA 39 7.856 19.822 -2.519 828 HB3 ALA 39 HB3 ALA 39 8.040 19.539 -4.251 829 H VAL 40 HN VAL 40 10.041 20.727 -5.631 830 HA VAL 40 HA VAL 40 9.112 23.023 -7.206 831 HB VAL 40 HB VAL 40 11.545 21.308 -7.717 832 HG11 VAL 40 HG11 VAL 40 10.684 23.907 -8.950 833 HG12 VAL 40 HG12 VAL 40 10.646 22.323 -9.727 834 HG13 VAL 40 HG13 VAL 40 12.190 23.050 -9.279 835 HG21 VAL 40 HG21 VAL 40 11.714 22.626 -5.629 836 HG22 VAL 40 HG22 VAL 40 11.404 24.089 -6.568 837 HG23 VAL 40 HG23 VAL 40 12.865 23.144 -6.860 838 H VAL 41 HN VAL 41 8.027 22.719 -8.981 839 HA VAL 41 HA VAL 41 7.333 19.971 -9.711 840 HB VAL 41 HB VAL 41 5.866 22.555 -10.270 841 HG11 VAL 41 HG11 VAL 41 5.013 19.712 -10.770 842 HG12 VAL 41 HG12 VAL 41 5.528 20.862 -12.005 843 HG13 VAL 41 HG13 VAL 41 4.060 21.166 -11.074 844 HG21 VAL 41 HG21 VAL 41 5.241 20.336 -8.324 845 HG22 VAL 41 HG22 VAL 41 4.214 21.731 -8.658 846 HG23 VAL 41 HG23 VAL 41 5.795 21.959 -7.910 847 H PHE 42 HN PHE 42 8.345 19.256 -11.447 848 HA PHE 42 HA PHE 42 9.274 21.167 -13.462 849 HB2 PHE 42 HB2 PHE 42 9.982 18.276 -12.969 850 HB3 PHE 42 HB1 PHE 42 10.572 19.204 -14.341 851 HD1 PHE 42 HD1 PHE 42 10.928 18.497 -10.830 852 HD2 PHE 42 HD2 PHE 42 12.048 21.161 -13.951 853 HE1 PHE 42 HE1 PHE 42 12.785 19.337 -9.446 854 HE2 PHE 42 HE2 PHE 42 13.905 22.001 -12.582 855 HZ PHE 42 HZ PHE 42 14.280 21.092 -10.330 856 H VAL 43 HN VAL 43 8.218 21.417 -15.279 857 HA VAL 43 HA VAL 43 6.145 19.481 -15.968 858 HB VAL 43 HB VAL 43 6.702 22.267 -17.020 859 HG11 VAL 43 HG11 VAL 43 5.813 20.857 -18.805 860 HG12 VAL 43 HG12 VAL 43 4.631 22.058 -18.290 861 HG13 VAL 43 HG13 VAL 43 4.466 20.379 -17.768 862 HG21 VAL 43 HG21 VAL 43 4.447 21.164 -15.339 863 HG22 VAL 43 HG22 VAL 43 4.565 22.818 -15.940 864 HG23 VAL 43 HG23 VAL 43 5.747 22.217 -14.777 865 H THR 44 HN THR 44 6.526 18.005 -17.424 866 HA THR 44 HA THR 44 9.023 17.944 -18.842 867 HB THR 44 HB THR 44 8.244 15.751 -19.670 868 HG1 THR 44 HG1 THR 44 5.923 16.108 -18.095 869 HG21 THR 44 HG21 THR 44 7.705 16.171 -16.732 870 HG22 THR 44 HG22 THR 44 9.295 15.897 -17.450 871 HG23 THR 44 HG23 THR 44 8.066 14.629 -17.505 872 H ARG 45 HN ARG 45 9.059 17.330 -21.195 873 HA ARG 45 HA ARG 45 7.704 19.272 -22.772 874 HB2 ARG 45 HB2 ARG 45 9.112 16.768 -23.728 875 HB3 ARG 45 HB1 ARG 45 8.713 18.166 -24.708 876 HG2 ARG 45 HG2 ARG 45 10.700 18.067 -22.447 877 HG3 ARG 45 HG1 ARG 45 11.064 18.148 -24.169 878 HD2 ARG 45 HD2 ARG 45 9.717 20.252 -22.488 879 HD3 ARG 45 HD1 ARG 45 11.328 20.329 -23.190 880 HE ARG 45 HE ARG 45 9.032 20.080 -24.985 881 HH11 ARG 45 HH11 ARG 45 11.672 22.020 -23.723 882 HH12 ARG 45 HH12 ARG 45 11.485 23.262 -24.905 883 HH21 ARG 45 HH21 ARG 45 8.782 21.713 -26.536 884 HH22 ARG 45 HH22 ARG 45 9.816 23.097 -26.515 885 H ARG 46 HN ARG 46 6.715 16.341 -21.513 886 HA ARG 46 HA ARG 46 4.810 15.764 -23.642 887 HB2 ARG 46 HB2 ARG 46 5.602 14.278 -21.138 888 HB3 ARG 46 HB1 ARG 46 4.213 13.809 -22.099 889 HG2 ARG 46 HG2 ARG 46 6.065 12.408 -22.693 890 HG3 ARG 46 HG1 ARG 46 5.732 13.484 -24.044 891 HD2 ARG 46 HD2 ARG 46 7.624 14.801 -23.593 892 HD3 ARG 46 HD1 ARG 46 7.811 14.127 -21.977 893 HE ARG 46 HE ARG 46 8.266 11.957 -23.292 894 HH11 ARG 46 HH11 ARG 46 9.148 15.137 -24.477 895 HH12 ARG 46 HH12 ARG 46 10.627 14.599 -25.196 896 HH21 ARG 46 HH21 ARG 46 10.222 11.242 -24.270 897 HH22 ARG 46 HH22 ARG 46 11.222 12.381 -25.104 898 H ASN 47 HN ASN 47 4.894 17.985 -21.427 899 HA ASN 47 HA ASN 47 3.364 19.328 -20.450 900 HB2 ASN 47 HB2 ASN 47 1.419 17.534 -21.894 901 HB3 ASN 47 HB1 ASN 47 0.896 18.880 -20.888 902 HD21 ASN 47 HD21 ASN 47 2.424 17.933 -23.846 903 HD22 ASN 47 HD22 ASN 47 2.421 19.496 -24.577 904 H ARG 48 HN ARG 48 4.266 16.638 -19.276 905 HA ARG 48 HA ARG 48 2.139 16.410 -17.254 906 HB2 ARG 48 HB2 ARG 48 3.063 14.360 -18.548 907 HB3 ARG 48 HB1 ARG 48 4.465 14.527 -17.499 908 HG2 ARG 48 HG2 ARG 48 2.511 14.602 -15.664 909 HG3 ARG 48 HG1 ARG 48 1.743 13.590 -16.888 910 HD2 ARG 48 HD2 ARG 48 3.867 12.228 -16.898 911 HD3 ARG 48 HD1 ARG 48 4.347 13.130 -15.464 912 HE ARG 48 HE ARG 48 2.526 10.957 -15.585 913 HH11 ARG 48 HH11 ARG 48 2.999 14.016 -13.878 914 HH12 ARG 48 HH12 ARG 48 2.190 13.459 -12.453 915 HH21 ARG 48 HH21 ARG 48 1.463 10.276 -13.664 916 HH22 ARG 48 HH22 ARG 48 1.341 11.369 -12.325 917 H GLN 49 HN GLN 49 2.609 16.781 -15.109 918 HA GLN 49 HA GLN 49 5.173 18.119 -14.663 919 HB2 GLN 49 HB2 GLN 49 3.991 19.024 -12.608 920 HB3 GLN 49 HB1 GLN 49 3.425 19.598 -14.169 921 HG2 GLN 49 HG2 GLN 49 1.564 18.039 -14.076 922 HG3 GLN 49 HG1 GLN 49 2.124 17.449 -12.510 923 HE21 GLN 49 HE21 GLN 49 2.934 20.116 -11.683 924 HE22 GLN 49 HE22 GLN 49 1.482 20.970 -11.285 925 H VAL 50 HN VAL 50 6.354 17.780 -12.754 926 HA VAL 50 HA VAL 50 5.761 15.365 -11.206 927 HB VAL 50 HB VAL 50 7.365 14.855 -13.115 928 HG11 VAL 50 HG11 VAL 50 8.540 16.935 -13.172 929 HG12 VAL 50 HG12 VAL 50 9.672 15.603 -12.915 930 HG13 VAL 50 HG13 VAL 50 9.203 16.642 -11.565 931 HG21 VAL 50 HG21 VAL 50 8.933 13.564 -11.743 932 HG22 VAL 50 HG22 VAL 50 7.283 13.437 -11.130 933 HG23 VAL 50 HG23 VAL 50 8.445 14.490 -10.323 934 H CYS 51 HN CYS 51 7.214 15.328 -9.171 935 HA CYS 51 HA CYS 51 7.877 18.084 -8.372 936 HB2 CYS 51 HB2 CYS 51 6.456 15.939 -6.835 937 HB3 CYS 51 HB1 CYS 51 7.235 17.300 -6.045 938 H ALA 52 HN ALA 52 9.358 18.253 -6.595 939 HA ALA 52 HA ALA 52 10.787 16.083 -5.519 940 HB1 ALA 52 HB1 ALA 52 12.292 17.718 -7.571 941 HB2 ALA 52 HB2 ALA 52 11.834 16.020 -7.736 942 HB3 ALA 52 HB3 ALA 52 12.990 16.506 -6.495 943 H ASN 53 HN ASN 53 12.443 16.812 -4.016 944 HA ASN 53 HA ASN 53 11.663 19.304 -2.811 945 HB2 ASN 53 HB2 ASN 53 13.796 17.316 -1.984 946 HB3 ASN 53 HB1 ASN 53 13.270 18.694 -1.027 947 HD21 ASN 53 HD21 ASN 53 11.233 18.637 -0.041 948 HD22 ASN 53 HD22 ASN 53 10.370 17.152 0.156 949 HA PRO 54 HA PRO 54 14.850 21.719 -4.746 950 HB2 PRO 54 HB2 PRO 54 14.707 23.899 -3.193 951 HB3 PRO 54 HB1 PRO 54 13.395 23.478 -4.302 952 HG2 PRO 54 HG2 PRO 54 13.629 22.940 -1.362 953 HG3 PRO 54 HG1 PRO 54 12.256 23.627 -2.258 954 HD2 PRO 54 HD2 PRO 54 12.349 21.027 -1.551 955 HD3 PRO 54 HD1 PRO 54 11.603 21.566 -3.071 956 H GLU 55 HN GLU 55 15.188 20.041 -2.015 957 HA GLU 55 HA GLU 55 17.505 21.413 -0.936 958 HB2 GLU 55 HB2 GLU 55 16.253 18.827 -0.024 959 HB3 GLU 55 HB1 GLU 55 17.400 19.821 0.865 960 HG2 GLU 55 HG2 GLU 55 15.723 21.637 0.907 961 HG3 GLU 55 HG1 GLU 55 14.577 20.546 0.135 962 H LYS 56 HN LYS 56 17.041 19.499 -3.482 963 HA LYS 56 HA LYS 56 19.568 18.062 -3.088 964 HB2 LYS 56 HB2 LYS 56 17.342 17.552 -5.060 965 HB3 LYS 56 HB1 LYS 56 18.894 16.729 -5.108 966 HG2 LYS 56 HG2 LYS 56 18.348 16.107 -2.653 967 HG3 LYS 56 HG1 LYS 56 16.692 16.501 -3.110 968 HD2 LYS 56 HD2 LYS 56 17.090 14.125 -3.386 969 HD3 LYS 56 HD1 LYS 56 16.846 14.880 -4.962 970 HE2 LYS 56 HE2 LYS 56 19.121 14.739 -5.510 971 HE3 LYS 56 HE1 LYS 56 19.602 14.487 -3.834 972 HZ1 LYS 56 HZ1 LYS 56 18.636 12.303 -3.898 973 HZ2 LYS 56 HZ2 LYS 56 19.733 12.463 -5.165 974 HZ3 LYS 56 HZ3 LYS 56 18.076 12.535 -5.477 975 H LYS 57 HN LYS 57 21.283 18.426 -4.358 976 HA LYS 57 HA LYS 57 21.507 20.947 -5.530 977 HB2 LYS 57 HB2 LYS 57 23.392 19.552 -4.600 978 HB3 LYS 57 HB1 LYS 57 23.347 18.631 -6.098 979 HG2 LYS 57 HG2 LYS 57 23.866 20.647 -7.374 980 HG3 LYS 57 HG1 LYS 57 23.872 21.596 -5.888 981 HD2 LYS 57 HD2 LYS 57 26.136 21.158 -6.330 982 HD3 LYS 57 HD1 LYS 57 25.693 19.998 -5.078 983 HE2 LYS 57 HE2 LYS 57 26.908 18.731 -6.616 984 HE3 LYS 57 HE1 LYS 57 25.228 18.388 -7.019 985 HZ1 LYS 57 HZ1 LYS 57 25.431 20.151 -8.777 986 HZ2 LYS 57 HZ2 LYS 57 26.389 18.782 -9.027 987 HZ3 LYS 57 HZ3 LYS 57 27.087 20.199 -8.447 988 H TRP 58 HN TRP 58 20.918 17.785 -7.020 989 HA TRP 58 HA TRP 58 21.314 18.553 -9.689 990 HB2 TRP 58 HB2 TRP 58 19.559 16.432 -8.462 991 HB3 TRP 58 HB1 TRP 58 19.619 16.689 -10.202 992 HD1 TRP 58 HD1 TRP 58 21.195 14.680 -7.600 993 HE1 TRP 58 HE1 TRP 58 23.389 13.632 -8.431 994 HE3 TRP 58 HE3 TRP 58 21.874 17.473 -11.824 995 HZ2 TRP 58 HZ2 TRP 58 25.172 13.943 -10.595 996 HZ3 TRP 58 HZ3 TRP 58 23.853 17.035 -13.220 997 HH2 TRP 58 HH2 TRP 58 25.466 15.307 -12.615 998 H VAL 59 HN VAL 59 18.537 18.814 -7.602 999 HA VAL 59 HA VAL 59 16.675 19.694 -9.541 1000 HB VAL 59 HB VAL 59 16.781 20.311 -6.569 1001 HG11 VAL 59 HG11 VAL 59 15.333 21.860 -7.818 1002 HG12 VAL 59 HG12 VAL 59 14.416 20.814 -6.733 1003 HG13 VAL 59 HG13 VAL 59 14.442 20.481 -8.463 1004 HG21 VAL 59 HG21 VAL 59 16.710 17.913 -7.041 1005 HG22 VAL 59 HG22 VAL 59 15.293 18.151 -8.063 1006 HG23 VAL 59 HG23 VAL 59 15.192 18.464 -6.331 1007 H GLN 60 HN GLN 60 18.951 21.320 -7.440 1008 HA GLN 60 HA GLN 60 18.243 23.982 -8.100 1009 HB2 GLN 60 HB2 GLN 60 20.930 22.978 -7.145 1010 HB3 GLN 60 HB1 GLN 60 20.296 24.610 -6.990 1011 HG2 GLN 60 HG2 GLN 60 19.139 22.177 -5.651 1012 HG3 GLN 60 HG1 GLN 60 20.232 23.326 -4.888 1013 HE21 GLN 60 HE21 GLN 60 17.036 22.799 -6.118 1014 HE22 GLN 60 HE22 GLN 60 16.311 24.183 -5.382 1015 H GLU 61 HN GLU 61 20.545 21.653 -9.384 1016 HA GLU 61 HA GLU 61 21.871 23.397 -11.140 1017 HB2 GLU 61 HB2 GLU 61 21.441 20.431 -11.468 1018 HB3 GLU 61 HB1 GLU 61 22.683 21.402 -12.243 1019 HG2 GLU 61 HG2 GLU 61 22.443 20.975 -9.282 1020 HG3 GLU 61 HG1 GLU 61 23.492 20.055 -10.347 1021 H TYR 62 HN TYR 62 19.112 21.244 -11.515 1022 HA TYR 62 HA TYR 62 18.796 21.823 -14.266 1023 HB2 TYR 62 HB2 TYR 62 17.087 20.477 -12.215 1024 HB3 TYR 62 HB1 TYR 62 16.377 20.931 -13.764 1025 HD1 TYR 62 HD1 TYR 62 19.444 19.238 -12.452 1026 HD2 TYR 62 HD2 TYR 62 16.440 19.368 -15.463 1027 HE1 TYR 62 HE1 TYR 62 20.419 17.242 -13.496 1028 HE2 TYR 62 HE2 TYR 62 17.411 17.370 -16.509 1029 HH TYR 62 HH TYR 62 19.632 15.384 -14.994 1030 H ILE 63 HN ILE 63 17.417 23.187 -11.348 1031 HA ILE 63 HA ILE 63 15.611 24.927 -12.653 1032 HB ILE 63 HB ILE 63 16.981 25.115 -9.968 1033 HG12 ILE 63 HG12 ILE 63 14.109 24.533 -10.713 1034 HG13 ILE 63 HG11 ILE 63 15.306 23.327 -10.251 1035 HG21 ILE 63 HG21 ILE 63 14.848 26.949 -11.062 1036 HG22 ILE 63 HG22 ILE 63 16.521 27.382 -10.709 1037 HG23 ILE 63 HG23 ILE 63 15.431 26.933 -9.397 1038 HD11 ILE 63 HD11 ILE 63 15.481 24.355 -8.043 1039 HD12 ILE 63 HD12 ILE 63 13.832 23.849 -8.405 1040 HD13 ILE 63 HD13 ILE 63 14.272 25.553 -8.509 1041 H ASN 64 HN ASN 64 18.895 25.418 -11.483 1042 HA ASN 64 HA ASN 64 19.049 28.111 -12.302 1043 HB2 ASN 64 HB2 ASN 64 20.907 28.072 -11.061 1044 HB3 ASN 64 HB1 ASN 64 20.644 26.354 -10.808 1045 HD21 ASN 64 HD21 ASN 64 21.833 24.886 -12.006 1046 HD22 ASN 64 HD22 ASN 64 23.274 25.335 -12.846 1047 H TYR 65 HN TYR 65 19.869 25.088 -13.882 1048 HA TYR 65 HA TYR 65 21.157 26.409 -16.077 1049 HB2 TYR 65 HB2 TYR 65 20.443 23.574 -15.493 1050 HB3 TYR 65 HB1 TYR 65 20.838 24.034 -17.143 1051 HD1 TYR 65 HD1 TYR 65 22.194 22.596 -14.364 1052 HD2 TYR 65 HD2 TYR 65 23.043 25.727 -17.110 1053 HE1 TYR 65 HE1 TYR 65 24.582 22.410 -13.829 1054 HE2 TYR 65 HE2 TYR 65 25.437 25.548 -16.584 1055 HH TYR 65 HH TYR 65 26.812 24.727 -14.569 1056 H LEU 66 HN LEU 66 17.898 25.214 -15.439 1057 HA LEU 66 HA LEU 66 17.115 25.523 -18.153 1058 HB2 LEU 66 HB2 LEU 66 15.848 23.924 -17.152 1059 HB3 LEU 66 HB1 LEU 66 15.897 24.704 -15.589 1060 HG LEU 66 HG LEU 66 14.280 26.332 -16.449 1061 HD11 LEU 66 HD11 LEU 66 12.943 25.692 -18.435 1062 HD12 LEU 66 HD12 LEU 66 14.038 24.340 -18.721 1063 HD13 LEU 66 HD13 LEU 66 14.628 25.996 -18.861 1064 HD21 LEU 66 HD21 LEU 66 12.401 24.871 -16.077 1065 HD22 LEU 66 HD22 LEU 66 13.734 24.390 -15.029 1066 HD23 LEU 66 HD23 LEU 66 13.377 23.463 -16.486 1067 H GLU 67 HN GLU 67 17.082 27.511 -15.242 1068 HA GLU 67 HA GLU 67 15.346 29.489 -16.351 1069 HB2 GLU 67 HB2 GLU 67 15.754 30.780 -14.401 1070 HB3 GLU 67 HB1 GLU 67 15.773 29.100 -13.875 1071 HG2 GLU 67 HG2 GLU 67 18.140 29.092 -13.734 1072 HG3 GLU 67 HG1 GLU 67 18.248 30.686 -14.476 1073 H MET 68 HN MET 68 18.731 28.835 -16.609 1074 HA MET 68 HA MET 68 19.233 31.482 -17.769 1075 HB2 MET 68 HB2 MET 68 21.592 30.942 -17.693 1076 HB3 MET 68 HB1 MET 68 20.874 30.643 -16.117 1077 HG2 MET 68 HG2 MET 68 20.785 28.254 -16.627 1078 HG3 MET 68 HG1 MET 68 21.526 28.566 -18.194 1079 HE1 MET 68 HE1 MET 68 24.003 29.263 -18.556 1080 HE2 MET 68 HE2 MET 68 25.118 29.686 -17.259 1081 HE3 MET 68 HE3 MET 68 23.733 30.722 -17.602 1082 H SER 69 HN SER 69 18.524 28.332 -18.679 1083 HA SER 69 HA SER 69 18.509 27.167 -20.604 1084 HB2 SER 69 HB2 SER 69 17.769 28.410 -22.596 1085 HB3 SER 69 HB1 SER 69 16.877 28.890 -21.155 1086 HG SER 69 HG SER 69 18.826 30.552 -21.189 Start of MODEL 14 1 H1 MET 1 HT1 MET 1 2.760 6.074 -23.645 2 HA MET 1 HA MET 1 1.231 8.415 -22.723 3 HB2 MET 1 HB2 MET 1 1.802 5.766 -21.378 4 HB3 MET 1 HB1 MET 1 1.167 7.179 -20.550 5 HG2 MET 1 HG2 MET 1 -0.826 7.113 -21.934 6 HG3 MET 1 HG1 MET 1 -0.186 5.725 -22.808 7 HE1 MET 1 HE1 MET 1 -1.387 5.645 -18.344 8 HE2 MET 1 HE2 MET 1 -1.506 7.072 -19.373 9 HE3 MET 1 HE3 MET 1 0.077 6.441 -18.919 10 H SER 2 HN SER 2 2.233 9.260 -20.698 11 HA SER 2 HA SER 2 5.151 9.216 -20.963 12 HB2 SER 2 HB2 SER 2 3.359 11.255 -19.620 13 HB3 SER 2 HB1 SER 2 5.109 11.380 -19.804 14 HG SER 2 HG SER 2 4.577 11.119 -22.164 15 HA PRO 3 HA PRO 3 5.015 6.554 -17.312 16 HB2 PRO 3 HB2 PRO 3 7.909 7.285 -17.403 17 HB3 PRO 3 HB1 PRO 3 7.157 5.694 -17.233 18 HG2 PRO 3 HG2 PRO 3 8.226 6.429 -19.548 19 HG3 PRO 3 HG1 PRO 3 6.705 5.519 -19.505 20 HD2 PRO 3 HD2 PRO 3 7.164 8.424 -20.028 21 HD3 PRO 3 HD1 PRO 3 5.978 7.318 -20.751 22 H TYR 4 HN TYR 4 4.444 7.265 -15.375 23 HA TYR 4 HA TYR 4 5.337 9.885 -14.484 24 HB2 TYR 4 HB2 TYR 4 3.189 8.038 -13.435 25 HB3 TYR 4 HB1 TYR 4 3.588 9.599 -12.726 26 HD1 TYR 4 HD1 TYR 4 1.838 7.880 -15.385 27 HD2 TYR 4 HD2 TYR 4 3.195 11.679 -14.040 28 HE1 TYR 4 HE1 TYR 4 0.303 8.977 -16.957 29 HE2 TYR 4 HE2 TYR 4 1.661 12.786 -15.608 30 HH TYR 4 HH TYR 4 -0.827 11.124 -17.213 31 H GLY 5 HN GLY 5 5.595 10.024 -11.997 32 HA2 GLY 5 HA2 GLY 5 6.428 8.160 -10.289 33 HA3 GLY 5 HA1 GLY 5 7.819 8.288 -11.362 34 H SER 6 HN SER 6 6.680 9.310 -8.517 35 HA SER 6 HA SER 6 7.047 11.063 -7.112 36 HB2 SER 6 HB2 SER 6 9.496 11.468 -8.850 37 HB3 SER 6 HB1 SER 6 9.284 12.034 -7.192 38 HG SER 6 HG SER 6 10.264 10.169 -6.820 39 H ASP 7 HN ASP 7 5.172 11.727 -8.888 40 HA ASP 7 HA ASP 7 5.912 14.417 -9.780 41 HB2 ASP 7 HB2 ASP 7 4.019 14.213 -11.422 42 HB3 ASP 7 HB1 ASP 7 5.392 13.158 -11.717 43 H THR 8 HN THR 8 3.656 15.625 -10.238 44 HA THR 8 HA THR 8 2.952 16.694 -7.796 45 HB THR 8 HB THR 8 0.888 17.079 -9.791 46 HG1 THR 8 HG1 THR 8 3.565 17.618 -10.609 47 HG21 THR 8 HG21 THR 8 1.483 18.714 -8.068 48 HG22 THR 8 HG22 THR 8 1.733 19.382 -9.687 49 HG23 THR 8 HG23 THR 8 3.112 18.829 -8.742 50 H THR 9 HN THR 9 1.509 16.195 -6.262 51 HA THR 9 HA THR 9 -0.409 14.057 -6.864 52 HB THR 9 HB THR 9 0.709 14.750 -4.141 53 HG1 THR 9 HG1 THR 9 2.161 13.860 -6.016 54 HG21 THR 9 HG21 THR 9 -1.382 13.496 -4.112 55 HG22 THR 9 HG22 THR 9 -0.048 12.456 -3.609 56 HG23 THR 9 HG23 THR 9 -0.710 12.315 -5.236 57 HA PRO 10 HA PRO 10 -3.487 17.216 -6.021 58 HB2 PRO 10 HB2 PRO 10 -5.640 15.531 -6.116 59 HB3 PRO 10 HB1 PRO 10 -4.865 16.214 -7.556 60 HG2 PRO 10 HG2 PRO 10 -4.613 13.502 -6.348 61 HG3 PRO 10 HG1 PRO 10 -4.612 13.975 -8.054 62 HD2 PRO 10 HD2 PRO 10 -2.360 13.333 -6.658 63 HD3 PRO 10 HD1 PRO 10 -2.371 14.437 -8.047 64 H CYS 11 HN CYS 11 -3.719 17.956 -4.005 65 HA CYS 11 HA CYS 11 -4.982 16.208 -2.025 66 HB2 CYS 11 HB2 CYS 11 -2.494 16.324 -1.610 67 HB3 CYS 11 HB1 CYS 11 -2.667 18.060 -1.386 68 H CYS 12 HN CYS 12 -5.826 17.635 -0.149 69 HA CYS 12 HA CYS 12 -6.199 20.394 -0.593 70 HB2 CYS 12 HB2 CYS 12 -8.630 20.357 -1.116 71 HB3 CYS 12 HB1 CYS 12 -7.622 19.736 -2.419 72 H PHE 13 HN PHE 13 -7.499 21.406 0.973 73 HA PHE 13 HA PHE 13 -8.802 19.865 3.009 74 HB2 PHE 13 HB2 PHE 13 -6.482 19.780 3.819 75 HB3 PHE 13 HB1 PHE 13 -6.368 21.533 3.710 76 HD1 PHE 13 HD1 PHE 13 -8.180 18.790 5.428 77 HD2 PHE 13 HD2 PHE 13 -6.994 22.870 5.514 78 HE1 PHE 13 HE1 PHE 13 -8.999 18.979 7.738 79 HE2 PHE 13 HE2 PHE 13 -7.811 23.065 7.819 80 HZ PHE 13 HZ PHE 13 -8.816 21.118 8.937 81 H ALA 14 HN ALA 14 -10.603 20.987 2.333 82 HA ALA 14 HA ALA 14 -11.075 23.474 3.598 83 HB1 ALA 14 HB1 ALA 14 -10.933 23.486 0.577 84 HB2 ALA 14 HB2 ALA 14 -9.839 24.341 1.666 85 HB3 ALA 14 HB3 ALA 14 -11.540 24.801 1.584 86 H TYR 15 HN TYR 15 -13.286 24.335 2.472 87 HA TYR 15 HA TYR 15 -14.975 22.290 1.463 88 HB2 TYR 15 HB2 TYR 15 -16.587 22.382 3.428 89 HB3 TYR 15 HB1 TYR 15 -15.099 21.481 3.677 90 HD1 TYR 15 HD1 TYR 15 -16.385 24.972 4.189 91 HD2 TYR 15 HD2 TYR 15 -14.024 21.762 5.674 92 HE1 TYR 15 HE1 TYR 15 -15.935 26.255 6.239 93 HE2 TYR 15 HE2 TYR 15 -13.566 23.034 7.718 94 HH TYR 15 HH TYR 15 -13.600 25.183 8.593 95 H LEU 16 HN LEU 16 -17.429 23.281 2.025 96 HA LEU 16 HA LEU 16 -17.437 26.143 1.596 97 HB2 LEU 16 HB2 LEU 16 -17.300 24.508 -0.616 98 HB3 LEU 16 HB1 LEU 16 -19.024 24.734 -0.429 99 HG LEU 16 HG LEU 16 -17.061 27.016 -0.622 100 HD11 LEU 16 HD11 LEU 16 -17.807 27.243 -2.941 101 HD12 LEU 16 HD12 LEU 16 -18.753 25.763 -2.780 102 HD13 LEU 16 HD13 LEU 16 -16.993 25.702 -2.670 103 HD21 LEU 16 HD21 LEU 16 -19.192 27.554 0.450 104 HD22 LEU 16 HD22 LEU 16 -20.055 26.905 -0.943 105 HD23 LEU 16 HD23 LEU 16 -19.043 28.338 -1.122 106 H SER 17 HN SER 17 -19.059 26.934 2.703 107 HA SER 17 HA SER 17 -20.973 25.264 3.966 108 HB2 SER 17 HB2 SER 17 -20.846 28.267 3.710 109 HB3 SER 17 HB1 SER 17 -21.876 27.383 4.842 110 HG SER 17 HG SER 17 -19.750 28.202 5.617 111 H LEU 18 HN LEU 18 -20.951 27.220 1.082 112 HA LEU 18 HA LEU 18 -23.802 26.890 0.692 113 HB2 LEU 18 HB2 LEU 18 -21.684 28.292 -0.934 114 HB3 LEU 18 HB1 LEU 18 -23.323 28.085 -1.510 115 HG LEU 18 HG LEU 18 -24.094 29.370 0.523 116 HD11 LEU 18 HD11 LEU 18 -21.157 30.002 0.763 117 HD12 LEU 18 HD12 LEU 18 -22.125 29.089 1.920 118 HD13 LEU 18 HD13 LEU 18 -22.461 30.799 1.645 119 HD21 LEU 18 HD21 LEU 18 -22.267 30.785 -1.410 120 HD22 LEU 18 HD22 LEU 18 -23.536 31.537 -0.443 121 HD23 LEU 18 HD23 LEU 18 -23.956 30.368 -1.696 122 H ALA 19 HN ALA 19 -23.354 24.533 0.801 123 HA ALA 19 HA ALA 19 -21.989 23.192 -1.258 124 HB1 ALA 19 HB1 ALA 19 -24.216 22.161 0.494 125 HB2 ALA 19 HB2 ALA 19 -22.502 22.160 0.906 126 HB3 ALA 19 HB3 ALA 19 -23.086 21.183 -0.441 127 H LEU 20 HN LEU 20 -22.574 22.565 -3.205 128 HA LEU 20 HA LEU 20 -24.948 23.600 -4.376 129 HB2 LEU 20 HB2 LEU 20 -24.121 22.320 -6.404 130 HB3 LEU 20 HB1 LEU 20 -23.060 23.562 -5.779 131 HG LEU 20 HG LEU 20 -21.915 21.557 -4.528 132 HD11 LEU 20 HD11 LEU 20 -21.959 19.480 -5.797 133 HD12 LEU 20 HD12 LEU 20 -23.213 20.141 -6.845 134 HD13 LEU 20 HD13 LEU 20 -23.549 19.865 -5.136 135 HD21 LEU 20 HD21 LEU 20 -21.594 22.045 -7.481 136 HD22 LEU 20 HD22 LEU 20 -20.409 21.269 -6.431 137 HD23 LEU 20 HD23 LEU 20 -20.834 22.962 -6.181 138 HA PRO 21 HA PRO 21 -27.823 20.349 -3.603 139 HB2 PRO 21 HB2 PRO 21 -29.067 20.316 -6.098 140 HB3 PRO 21 HB1 PRO 21 -29.502 21.372 -4.751 141 HG2 PRO 21 HG2 PRO 21 -27.812 21.935 -7.143 142 HG3 PRO 21 HG1 PRO 21 -28.955 22.994 -6.302 143 HD2 PRO 21 HD2 PRO 21 -26.314 23.264 -5.992 144 HD3 PRO 21 HD1 PRO 21 -27.434 23.521 -4.637 145 H ARG 22 HN ARG 22 -28.339 18.181 -4.192 146 HA ARG 22 HA ARG 22 -26.111 16.698 -5.046 147 HB2 ARG 22 HB2 ARG 22 -28.969 15.760 -4.765 148 HB3 ARG 22 HB1 ARG 22 -27.550 14.724 -4.849 149 HG2 ARG 22 HG2 ARG 22 -26.714 15.852 -2.775 150 HG3 ARG 22 HG1 ARG 22 -28.277 16.657 -2.663 151 HD2 ARG 22 HD2 ARG 22 -27.805 13.679 -2.646 152 HD3 ARG 22 HD1 ARG 22 -28.172 14.673 -1.240 153 HE ARG 22 HE ARG 22 -30.135 14.810 -3.354 154 HH11 ARG 22 HH11 ARG 22 -29.148 13.207 -0.378 155 HH12 ARG 22 HH12 ARG 22 -30.698 12.511 -0.089 156 HH21 ARG 22 HH21 ARG 22 -32.204 13.895 -2.951 157 HH22 ARG 22 HH22 ARG 22 -32.445 12.900 -1.556 158 H ALA 23 HN ALA 23 -28.763 18.000 -6.817 159 HA ALA 23 HA ALA 23 -28.481 16.322 -9.120 160 HB1 ALA 23 HB1 ALA 23 -30.570 17.498 -8.645 161 HB2 ALA 23 HB2 ALA 23 -29.933 17.948 -10.228 162 HB3 ALA 23 HB3 ALA 23 -29.751 19.044 -8.861 163 H HIS 24 HN HIS 24 -26.676 18.917 -7.872 164 HA HIS 24 HA HIS 24 -25.663 19.777 -10.454 165 HB2 HIS 24 HB2 HIS 24 -25.368 20.747 -7.642 166 HB3 HIS 24 HB1 HIS 24 -24.202 21.239 -8.860 167 HD1 HIS 24 HD1 HIS 24 -24.946 23.702 -8.799 168 HD2 HIS 24 HD2 HIS 24 -28.007 21.054 -9.763 169 HE1 HIS 24 HE1 HIS 24 -26.843 25.133 -9.584 170 H VAL 25 HN VAL 25 -24.896 17.513 -8.028 171 HA VAL 25 HA VAL 25 -22.093 17.451 -8.849 172 HB VAL 25 HB VAL 25 -22.842 17.376 -6.359 173 HG11 VAL 25 HG11 VAL 25 -23.188 14.458 -7.019 174 HG12 VAL 25 HG12 VAL 25 -24.510 15.574 -6.661 175 HG13 VAL 25 HG13 VAL 25 -23.304 15.205 -5.426 176 HG21 VAL 25 HG21 VAL 25 -20.862 15.371 -7.430 177 HG22 VAL 25 HG22 VAL 25 -20.935 15.954 -5.767 178 HG23 VAL 25 HG23 VAL 25 -20.545 17.069 -7.076 179 H LYS 26 HN LYS 26 -21.129 15.451 -9.512 180 HA LYS 26 HA LYS 26 -23.096 13.605 -10.673 181 HB2 LYS 26 HB2 LYS 26 -21.929 14.874 -12.397 182 HB3 LYS 26 HB1 LYS 26 -20.377 14.383 -11.738 183 HG2 LYS 26 HG2 LYS 26 -20.803 12.088 -12.333 184 HG3 LYS 26 HG1 LYS 26 -22.427 12.500 -12.880 185 HD2 LYS 26 HD2 LYS 26 -20.819 12.239 -14.740 186 HD3 LYS 26 HD1 LYS 26 -21.529 13.850 -14.669 187 HE2 LYS 26 HE2 LYS 26 -19.555 14.800 -13.822 188 HE3 LYS 26 HE1 LYS 26 -18.881 13.231 -13.391 189 HZ1 LYS 26 HZ1 LYS 26 -19.406 14.102 -16.176 190 HZ2 LYS 26 HZ2 LYS 26 -18.577 12.716 -15.688 191 HZ3 LYS 26 HZ3 LYS 26 -17.901 14.244 -15.421 192 H GLU 27 HN GLU 27 -19.968 13.896 -9.051 193 HA GLU 27 HA GLU 27 -20.287 11.284 -7.912 194 HB2 GLU 27 HB2 GLU 27 -18.215 10.329 -8.820 195 HB3 GLU 27 HB1 GLU 27 -19.352 10.699 -10.112 196 HG2 GLU 27 HG2 GLU 27 -18.145 12.735 -10.618 197 HG3 GLU 27 HG1 GLU 27 -17.018 12.408 -9.300 198 H TYR 28 HN TYR 28 -18.064 10.719 -6.752 199 HA TYR 28 HA TYR 28 -16.718 13.095 -5.749 200 HB2 TYR 28 HB2 TYR 28 -17.087 12.569 -3.438 201 HB3 TYR 28 HB1 TYR 28 -18.663 12.581 -4.214 202 HD1 TYR 28 HD1 TYR 28 -16.336 10.695 -2.256 203 HD2 TYR 28 HD2 TYR 28 -19.708 10.322 -4.823 204 HE1 TYR 28 HE1 TYR 28 -16.760 8.445 -1.366 205 HE2 TYR 28 HE2 TYR 28 -20.142 8.066 -3.932 206 HH TYR 28 HH TYR 28 -18.869 6.257 -2.836 207 H PHE 29 HN PHE 29 -14.782 12.464 -4.444 208 HA PHE 29 HA PHE 29 -13.788 9.766 -4.765 209 HB2 PHE 29 HB2 PHE 29 -13.326 10.880 -6.972 210 HB3 PHE 29 HB1 PHE 29 -12.365 12.078 -6.121 211 HD1 PHE 29 HD1 PHE 29 -12.617 8.379 -6.517 212 HD2 PHE 29 HD2 PHE 29 -10.090 11.762 -6.011 213 HE1 PHE 29 HE1 PHE 29 -10.641 6.933 -6.750 214 HE2 PHE 29 HE2 PHE 29 -8.110 10.321 -6.239 215 HZ PHE 29 HZ PHE 29 -8.385 7.904 -6.610 216 H TYR 30 HN TYR 30 -12.015 9.369 -3.363 217 HA TYR 30 HA TYR 30 -11.742 11.353 -1.263 218 HB2 TYR 30 HB2 TYR 30 -10.926 8.473 -1.522 219 HB3 TYR 30 HB1 TYR 30 -10.282 9.476 -0.228 220 HD1 TYR 30 HD1 TYR 30 -13.336 7.913 -1.584 221 HD2 TYR 30 HD2 TYR 30 -11.659 10.169 1.601 222 HE1 TYR 30 HE1 TYR 30 -15.352 7.498 -0.235 223 HE2 TYR 30 HE2 TYR 30 -13.669 9.762 2.957 224 HH TYR 30 HH TYR 30 -16.039 7.473 2.097 225 H THR 31 HN THR 31 -9.708 12.099 -0.458 226 HA THR 31 HA THR 31 -8.010 13.027 -2.482 227 HB THR 31 HB THR 31 -6.491 13.628 -0.469 228 HG1 THR 31 HG1 THR 31 -7.160 13.019 1.427 229 HG21 THR 31 HG21 THR 31 -9.308 14.697 -0.616 230 HG22 THR 31 HG22 THR 31 -7.971 15.190 -1.655 231 HG23 THR 31 HG23 THR 31 -7.908 15.521 0.074 232 H SER 32 HN SER 32 -5.649 12.782 -2.540 233 HA SER 32 HA SER 32 -4.919 10.131 -3.060 234 HB2 SER 32 HB2 SER 32 -3.104 12.498 -2.600 235 HB3 SER 32 HB1 SER 32 -2.717 11.033 -3.500 236 HG SER 32 HG SER 32 -4.143 13.253 -4.256 237 H SER 33 HN SER 33 -3.104 8.948 -2.090 238 HA SER 33 HA SER 33 -3.482 8.622 0.702 239 HB2 SER 33 HB2 SER 33 -1.289 7.452 -1.013 240 HB3 SER 33 HB1 SER 33 -1.916 6.813 0.507 241 HG SER 33 HG SER 33 -4.027 6.906 -0.853 242 H LYS 34 HN LYS 34 -1.428 10.625 -1.139 243 HA LYS 34 HA LYS 34 0.661 10.851 0.829 244 HB2 LYS 34 HB2 LYS 34 0.039 12.532 -1.601 245 HB3 LYS 34 HB1 LYS 34 1.457 12.739 -0.588 246 HG2 LYS 34 HG2 LYS 34 0.778 10.284 -2.196 247 HG3 LYS 34 HG1 LYS 34 1.999 11.494 -2.596 248 HD2 LYS 34 HD2 LYS 34 3.205 10.945 -0.531 249 HD3 LYS 34 HD1 LYS 34 1.988 9.726 -0.151 250 HE2 LYS 34 HE2 LYS 34 2.564 8.559 -2.256 251 HE3 LYS 34 HE1 LYS 34 3.847 9.740 -2.523 252 HZ1 LYS 34 HZ1 LYS 34 4.884 9.030 -0.470 253 HZ2 LYS 34 HZ2 LYS 34 4.682 7.710 -1.505 254 HZ3 LYS 34 HZ3 LYS 34 3.640 7.921 -0.191 255 H CYS 35 HN CYS 35 -2.430 12.180 0.412 256 HA CYS 35 HA CYS 35 -2.020 14.711 1.604 257 HB2 CYS 35 HB2 CYS 35 -4.531 13.032 1.503 258 HB3 CYS 35 HB1 CYS 35 -4.454 14.752 1.868 259 H SER 36 HN SER 36 -1.704 15.230 3.648 260 HA SER 36 HA SER 36 -1.403 13.235 5.643 261 HB2 SER 36 HB2 SER 36 -1.544 16.233 6.012 262 HB3 SER 36 HB1 SER 36 -0.811 15.063 7.111 263 HG SER 36 HG SER 36 0.272 14.691 4.720 264 H ASN 37 HN ASN 37 -4.027 15.159 4.593 265 HA ASN 37 HA ASN 37 -5.631 14.253 6.882 266 HB2 ASN 37 HB2 ASN 37 -7.078 16.203 6.541 267 HB3 ASN 37 HB1 ASN 37 -5.419 16.719 6.820 268 HD21 ASN 37 HD21 ASN 37 -8.029 16.563 4.552 269 HD22 ASN 37 HD22 ASN 37 -7.289 17.529 3.318 270 H LEU 38 HN LEU 38 -7.762 13.575 6.394 271 HA LEU 38 HA LEU 38 -7.985 12.493 3.704 272 HB2 LEU 38 HB2 LEU 38 -8.306 11.079 5.770 273 HB3 LEU 38 HB1 LEU 38 -9.751 12.001 6.111 274 HG LEU 38 HG LEU 38 -10.088 9.723 5.068 275 HD11 LEU 38 HD11 LEU 38 -11.231 12.085 3.597 276 HD12 LEU 38 HD12 LEU 38 -11.855 11.378 5.088 277 HD13 LEU 38 HD13 LEU 38 -11.881 10.446 3.594 278 HD21 LEU 38 HD21 LEU 38 -8.248 9.830 3.456 279 HD22 LEU 38 HD22 LEU 38 -9.082 11.122 2.592 280 HD23 LEU 38 HD23 LEU 38 -9.790 9.510 2.665 281 H ALA 39 HN ALA 39 -9.245 13.404 2.219 282 HA ALA 39 HA ALA 39 -11.583 14.933 3.029 283 HB1 ALA 39 HB1 ALA 39 -9.805 16.612 2.886 284 HB2 ALA 39 HB2 ALA 39 -10.981 16.829 1.590 285 HB3 ALA 39 HB3 ALA 39 -9.424 16.073 1.251 286 H VAL 40 HN VAL 40 -12.749 15.660 0.879 287 HA VAL 40 HA VAL 40 -12.373 13.553 -1.118 288 HB VAL 40 HB VAL 40 -14.785 13.285 -1.398 289 HG11 VAL 40 HG11 VAL 40 -13.930 12.837 1.449 290 HG12 VAL 40 HG12 VAL 40 -13.574 11.777 0.084 291 HG13 VAL 40 HG13 VAL 40 -15.241 12.010 0.607 292 HG21 VAL 40 HG21 VAL 40 -16.352 14.189 0.233 293 HG22 VAL 40 HG22 VAL 40 -15.511 15.472 -0.637 294 HG23 VAL 40 HG23 VAL 40 -15.038 15.069 1.016 295 H VAL 41 HN VAL 41 -13.173 14.012 -3.162 296 HA VAL 41 HA VAL 41 -13.460 16.878 -3.735 297 HB VAL 41 HB VAL 41 -12.179 14.791 -5.515 298 HG11 VAL 41 HG11 VAL 41 -13.209 16.604 -6.755 299 HG12 VAL 41 HG12 VAL 41 -11.450 16.720 -6.840 300 HG13 VAL 41 HG13 VAL 41 -12.353 17.789 -5.768 301 HG21 VAL 41 HG21 VAL 41 -10.043 15.857 -5.005 302 HG22 VAL 41 HG22 VAL 41 -10.791 15.216 -3.540 303 HG23 VAL 41 HG23 VAL 41 -10.846 16.947 -3.875 304 H PHE 42 HN PHE 42 -15.352 17.345 -4.583 305 HA PHE 42 HA PHE 42 -16.963 15.202 -5.745 306 HB2 PHE 42 HB2 PHE 42 -17.671 17.976 -4.804 307 HB3 PHE 42 HB1 PHE 42 -18.805 16.926 -5.637 308 HD1 PHE 42 HD1 PHE 42 -17.155 17.685 -2.527 309 HD2 PHE 42 HD2 PHE 42 -19.511 14.804 -4.579 310 HE1 PHE 42 HE1 PHE 42 -17.729 16.630 -0.382 311 HE2 PHE 42 HE2 PHE 42 -20.095 13.743 -2.445 312 HZ PHE 42 HZ PHE 42 -19.208 14.658 -0.336 313 H VAL 43 HN VAL 43 -17.503 15.141 -7.803 314 HA VAL 43 HA VAL 43 -16.444 17.260 -9.531 315 HB VAL 43 HB VAL 43 -17.235 14.439 -10.294 316 HG11 VAL 43 HG11 VAL 43 -17.384 16.029 -12.126 317 HG12 VAL 43 HG12 VAL 43 -16.046 14.905 -12.371 318 HG13 VAL 43 HG13 VAL 43 -15.726 16.551 -11.817 319 HG21 VAL 43 HG21 VAL 43 -14.488 15.585 -9.797 320 HG22 VAL 43 HG22 VAL 43 -14.823 13.982 -10.448 321 HG23 VAL 43 HG23 VAL 43 -15.314 14.386 -8.803 322 H THR 44 HN THR 44 -17.906 18.623 -10.270 323 HA THR 44 HA THR 44 -20.708 18.125 -9.939 324 HB THR 44 HB THR 44 -21.058 20.346 -10.811 325 HG1 THR 44 HG1 THR 44 -19.478 21.481 -11.829 326 HG21 THR 44 HG21 THR 44 -20.274 20.188 -8.504 327 HG22 THR 44 HG22 THR 44 -19.652 21.648 -9.274 328 HG23 THR 44 HG23 THR 44 -18.601 20.248 -9.058 329 H ARG 45 HN ARG 45 -22.100 19.002 -11.924 330 HA ARG 45 HA ARG 45 -21.945 16.959 -13.885 331 HB2 ARG 45 HB2 ARG 45 -23.523 19.522 -14.135 332 HB3 ARG 45 HB1 ARG 45 -23.869 17.978 -14.898 333 HG2 ARG 45 HG2 ARG 45 -24.114 18.658 -11.975 334 HG3 ARG 45 HG1 ARG 45 -25.428 18.371 -13.112 335 HD2 ARG 45 HD2 ARG 45 -23.364 16.339 -12.273 336 HD3 ARG 45 HD1 ARG 45 -24.999 16.449 -11.631 337 HE ARG 45 HE ARG 45 -24.837 16.150 -14.502 338 HH11 ARG 45 HH11 ARG 45 -25.092 14.506 -11.402 339 HH12 ARG 45 HH12 ARG 45 -25.717 13.043 -12.085 340 HH21 ARG 45 HH21 ARG 45 -25.670 14.212 -15.398 341 HH22 ARG 45 HH22 ARG 45 -26.046 12.876 -14.361 342 H ARG 46 HN ARG 46 -20.728 20.192 -13.674 343 HA ARG 46 HA ARG 46 -20.020 20.347 -16.485 344 HB2 ARG 46 HB2 ARG 46 -19.754 22.149 -14.116 345 HB3 ARG 46 HB1 ARG 46 -18.653 22.386 -15.460 346 HG2 ARG 46 HG2 ARG 46 -20.561 23.873 -15.616 347 HG3 ARG 46 HG1 ARG 46 -20.540 22.735 -16.961 348 HD2 ARG 46 HD2 ARG 46 -22.277 21.436 -15.977 349 HD3 ARG 46 HD1 ARG 46 -22.182 22.342 -14.471 350 HE ARG 46 HE ARG 46 -22.818 24.306 -16.075 351 HH11 ARG 46 HH11 ARG 46 -24.090 21.033 -16.221 352 HH12 ARG 46 HH12 ARG 46 -25.645 21.525 -16.787 353 HH21 ARG 46 HH21 ARG 46 -24.856 24.961 -16.822 354 HH22 ARG 46 HH22 ARG 46 -26.087 23.783 -17.141 355 H ASN 47 HN ASN 47 -18.949 18.492 -14.149 356 HA ASN 47 HA ASN 47 -17.098 17.302 -13.734 357 HB2 ASN 47 HB2 ASN 47 -16.148 18.570 -16.299 358 HB3 ASN 47 HB1 ASN 47 -15.184 17.400 -15.401 359 HD21 ASN 47 HD21 ASN 47 -17.926 17.895 -17.428 360 HD22 ASN 47 HD22 ASN 47 -18.301 16.225 -17.686 361 H ARG 48 HN ARG 48 -17.488 20.203 -12.952 362 HA ARG 48 HA ARG 48 -14.803 21.127 -12.473 363 HB2 ARG 48 HB2 ARG 48 -16.587 22.775 -12.780 364 HB3 ARG 48 HB1 ARG 48 -17.477 22.109 -11.422 365 HG2 ARG 48 HG2 ARG 48 -14.734 23.029 -10.842 366 HG3 ARG 48 HG1 ARG 48 -15.903 24.281 -11.262 367 HD2 ARG 48 HD2 ARG 48 -17.102 23.984 -9.361 368 HD3 ARG 48 HD1 ARG 48 -16.806 22.247 -9.317 369 HE ARG 48 HE ARG 48 -14.463 22.939 -8.600 370 HH11 ARG 48 HH11 ARG 48 -17.310 24.826 -7.798 371 HH12 ARG 48 HH12 ARG 48 -16.672 25.394 -6.299 372 HH21 ARG 48 HH21 ARG 48 -13.623 23.662 -6.627 373 HH22 ARG 48 HH22 ARG 48 -14.553 24.711 -5.607 374 H GLN 49 HN GLN 49 -13.576 20.747 -10.716 375 HA GLN 49 HA GLN 49 -14.655 18.801 -8.826 376 HB2 GLN 49 HB2 GLN 49 -11.802 19.669 -9.215 377 HB3 GLN 49 HB1 GLN 49 -12.380 18.313 -8.259 378 HG2 GLN 49 HG2 GLN 49 -13.224 17.264 -10.325 379 HG3 GLN 49 HG1 GLN 49 -12.516 18.591 -11.248 380 HE21 GLN 49 HE21 GLN 49 -11.061 17.285 -8.391 381 HE22 GLN 49 HE22 GLN 49 -9.711 16.528 -9.171 382 H VAL 50 HN VAL 50 -14.853 19.133 -6.726 383 HA VAL 50 HA VAL 50 -13.840 21.636 -5.567 384 HB VAL 50 HB VAL 50 -16.259 21.871 -6.068 385 HG11 VAL 50 HG11 VAL 50 -16.851 19.539 -5.953 386 HG12 VAL 50 HG12 VAL 50 -17.910 20.529 -4.939 387 HG13 VAL 50 HG13 VAL 50 -16.622 19.565 -4.206 388 HG21 VAL 50 HG21 VAL 50 -16.997 22.553 -3.828 389 HG22 VAL 50 HG22 VAL 50 -15.335 23.057 -4.149 390 HG23 VAL 50 HG23 VAL 50 -15.649 21.657 -3.123 391 H CYS 51 HN CYS 51 -12.982 21.398 -3.534 392 HA CYS 51 HA CYS 51 -12.911 18.649 -2.510 393 HB2 CYS 51 HB2 CYS 51 -11.077 20.987 -2.016 394 HB3 CYS 51 HB1 CYS 51 -10.929 19.422 -1.224 395 H ALA 52 HN ALA 52 -13.572 18.128 -0.502 396 HA ALA 52 HA ALA 52 -14.306 20.264 1.339 397 HB1 ALA 52 HB1 ALA 52 -16.535 19.365 1.712 398 HB2 ALA 52 HB2 ALA 52 -16.260 18.136 0.478 399 HB3 ALA 52 HB3 ALA 52 -16.330 19.840 0.026 400 H ASN 53 HN ASN 53 -14.447 19.622 3.488 401 HA ASN 53 HA ASN 53 -12.892 17.281 4.129 402 HB2 ASN 53 HB2 ASN 53 -14.120 19.412 5.896 403 HB3 ASN 53 HB1 ASN 53 -13.117 18.089 6.484 404 HD21 ASN 53 HD21 ASN 53 -11.328 18.155 4.181 405 HD22 ASN 53 HD22 ASN 53 -10.340 19.554 4.394 406 HA PRO 54 HA PRO 54 -16.293 14.604 4.757 407 HB2 PRO 54 HB2 PRO 54 -15.154 12.656 6.165 408 HB3 PRO 54 HB1 PRO 54 -14.623 13.014 4.515 409 HG2 PRO 54 HG2 PRO 54 -13.407 13.870 7.118 410 HG3 PRO 54 HG1 PRO 54 -12.605 13.180 5.692 411 HD2 PRO 54 HD2 PRO 54 -12.673 15.849 6.215 412 HD3 PRO 54 HD1 PRO 54 -12.613 15.186 4.571 413 H GLU 55 HN GLU 55 -15.277 16.550 7.216 414 HA GLU 55 HA GLU 55 -16.715 15.171 9.312 415 HB2 GLU 55 HB2 GLU 55 -15.402 17.892 9.351 416 HB3 GLU 55 HB1 GLU 55 -16.078 17.066 10.746 417 HG2 GLU 55 HG2 GLU 55 -14.432 15.231 10.349 418 HG3 GLU 55 HG1 GLU 55 -13.689 16.250 9.116 419 H LYS 56 HN LYS 56 -17.491 17.190 6.799 420 HA LYS 56 HA LYS 56 -19.651 18.575 8.153 421 HB2 LYS 56 HB2 LYS 56 -18.879 18.500 5.231 422 HB3 LYS 56 HB1 LYS 56 -20.122 19.531 5.925 423 HG2 LYS 56 HG2 LYS 56 -17.196 19.624 6.621 424 HG3 LYS 56 HG1 LYS 56 -18.022 20.724 5.517 425 HD2 LYS 56 HD2 LYS 56 -19.464 21.477 7.348 426 HD3 LYS 56 HD1 LYS 56 -18.650 20.365 8.450 427 HE2 LYS 56 HE2 LYS 56 -16.535 21.542 8.049 428 HE3 LYS 56 HE1 LYS 56 -17.372 22.667 6.982 429 HZ1 LYS 56 HZ1 LYS 56 -17.048 23.535 9.241 430 HZ2 LYS 56 HZ2 LYS 56 -17.998 22.287 9.857 431 HZ3 LYS 56 HZ3 LYS 56 -18.684 23.433 8.824 432 H LYS 57 HN LYS 57 -21.752 18.018 8.075 433 HA LYS 57 HA LYS 57 -22.405 15.343 7.537 434 HB2 LYS 57 HB2 LYS 57 -23.647 16.648 9.167 435 HB3 LYS 57 HB1 LYS 57 -24.245 17.708 7.898 436 HG2 LYS 57 HG2 LYS 57 -25.489 15.892 6.907 437 HG3 LYS 57 HG1 LYS 57 -24.822 14.759 8.079 438 HD2 LYS 57 HD2 LYS 57 -26.545 17.137 8.753 439 HD3 LYS 57 HD1 LYS 57 -27.117 15.474 8.622 440 HE2 LYS 57 HE2 LYS 57 -25.483 14.851 10.399 441 HE3 LYS 57 HE1 LYS 57 -25.114 16.563 10.592 442 HZ1 LYS 57 HZ1 LYS 57 -26.730 15.797 12.207 443 HZ2 LYS 57 HZ2 LYS 57 -27.781 15.330 10.967 444 HZ3 LYS 57 HZ3 LYS 57 -27.406 16.964 11.185 445 H TRP 58 HN TRP 58 -22.799 18.258 5.621 446 HA TRP 58 HA TRP 58 -24.501 17.272 3.635 447 HB2 TRP 58 HB2 TRP 58 -22.294 19.332 3.484 448 HB3 TRP 58 HB1 TRP 58 -23.398 19.000 2.155 449 HD1 TRP 58 HD1 TRP 58 -23.335 20.530 5.677 450 HE1 TRP 58 HE1 TRP 58 -25.424 22.008 5.954 451 HE3 TRP 58 HE3 TRP 58 -25.737 19.357 1.325 452 HZ2 TRP 58 HZ2 TRP 58 -27.777 22.595 4.516 453 HZ3 TRP 58 HZ3 TRP 58 -27.903 20.420 0.850 454 HH2 TRP 58 HH2 TRP 58 -28.899 22.006 2.414 455 H VAL 59 HN VAL 59 -21.059 17.069 4.050 456 HA VAL 59 HA VAL 59 -20.465 15.958 1.521 457 HB VAL 59 HB VAL 59 -18.941 15.830 4.135 458 HG11 VAL 59 HG11 VAL 59 -16.984 15.258 2.778 459 HG12 VAL 59 HG12 VAL 59 -18.007 15.175 1.345 460 HG13 VAL 59 HG13 VAL 59 -18.239 14.025 2.661 461 HG21 VAL 59 HG21 VAL 59 -17.603 17.629 3.202 462 HG22 VAL 59 HG22 VAL 59 -19.305 18.093 3.257 463 HG23 VAL 59 HG23 VAL 59 -18.572 17.608 1.729 464 H GLN 60 HN GLN 60 -21.168 14.607 4.677 465 HA GLN 60 HA GLN 60 -20.670 11.908 3.984 466 HB2 GLN 60 HB2 GLN 60 -22.454 13.024 6.149 467 HB3 GLN 60 HB1 GLN 60 -21.853 11.375 6.057 468 HG2 GLN 60 HG2 GLN 60 -20.099 13.801 6.296 469 HG3 GLN 60 HG1 GLN 60 -20.638 12.830 7.660 470 HE21 GLN 60 HE21 GLN 60 -18.577 12.978 4.884 471 HE22 GLN 60 HE22 GLN 60 -17.621 11.589 5.260 472 H GLU 61 HN GLU 61 -23.559 13.928 4.024 473 HA GLU 61 HA GLU 61 -25.369 11.871 3.357 474 HB2 GLU 61 HB2 GLU 61 -25.577 14.839 2.851 475 HB3 GLU 61 HB1 GLU 61 -26.909 13.693 2.783 476 HG2 GLU 61 HG2 GLU 61 -25.269 14.249 5.237 477 HG3 GLU 61 HG1 GLU 61 -26.801 15.025 4.868 478 H TYR 62 HN TYR 62 -23.538 14.200 1.442 479 HA TYR 62 HA TYR 62 -24.703 13.386 -1.026 480 HB2 TYR 62 HB2 TYR 62 -22.301 15.041 -0.328 481 HB3 TYR 62 HB1 TYR 62 -22.596 14.553 -1.994 482 HD1 TYR 62 HD1 TYR 62 -24.893 15.710 0.723 483 HD2 TYR 62 HD2 TYR 62 -23.362 16.387 -3.184 484 HE1 TYR 62 HE1 TYR 62 -26.434 17.601 0.459 485 HE2 TYR 62 HE2 TYR 62 -24.904 18.284 -3.460 486 HH TYR 62 HH TYR 62 -26.439 19.776 -0.988 487 H ILE 63 HN ILE 63 -21.804 12.452 0.732 488 HA ILE 63 HA ILE 63 -20.732 10.753 -1.251 489 HB ILE 63 HB ILE 63 -20.473 10.789 1.754 490 HG12 ILE 63 HG12 ILE 63 -18.476 11.279 -0.466 491 HG13 ILE 63 HG11 ILE 63 -19.310 12.528 0.451 492 HG21 ILE 63 HG21 ILE 63 -18.753 9.044 1.598 493 HG22 ILE 63 HG22 ILE 63 -19.141 8.825 -0.110 494 HG23 ILE 63 HG23 ILE 63 -20.346 8.453 1.124 495 HD11 ILE 63 HD11 ILE 63 -18.223 11.687 2.502 496 HD12 ILE 63 HD12 ILE 63 -17.084 12.271 1.292 497 HD13 ILE 63 HD13 ILE 63 -17.321 10.536 1.514 498 H ASN 64 HN ASN 64 -22.877 10.120 1.477 499 HA ASN 64 HA ASN 64 -23.205 7.373 0.997 500 HB2 ASN 64 HB2 ASN 64 -24.175 7.540 3.006 501 HB3 ASN 64 HB1 ASN 64 -24.149 9.292 2.882 502 HD21 ASN 64 HD21 ASN 64 -25.992 10.361 2.135 503 HD22 ASN 64 HD22 ASN 64 -27.549 9.614 2.163 504 H TYR 65 HN TYR 65 -24.884 10.195 -0.233 505 HA TYR 65 HA TYR 65 -26.969 8.652 -1.457 506 HB2 TYR 65 HB2 TYR 65 -27.175 11.091 -0.771 507 HB3 TYR 65 HB1 TYR 65 -26.180 11.452 -2.179 508 HD1 TYR 65 HD1 TYR 65 -29.335 9.689 -1.259 509 HD2 TYR 65 HD2 TYR 65 -27.192 11.847 -4.236 510 HE1 TYR 65 HE1 TYR 65 -31.337 9.695 -2.686 511 HE2 TYR 65 HE2 TYR 65 -29.190 11.860 -5.671 512 HH TYR 65 HH TYR 65 -32.283 10.968 -4.510 513 H LEU 66 HN LEU 66 -23.914 10.051 -2.543 514 HA LEU 66 HA LEU 66 -24.414 9.383 -5.283 515 HB2 LEU 66 HB2 LEU 66 -21.914 10.273 -3.866 516 HB3 LEU 66 HB1 LEU 66 -21.971 9.932 -5.583 517 HG LEU 66 HG LEU 66 -23.554 12.061 -4.158 518 HD11 LEU 66 HD11 LEU 66 -22.071 13.606 -5.337 519 HD12 LEU 66 HD12 LEU 66 -21.155 12.240 -5.971 520 HD13 LEU 66 HD13 LEU 66 -21.178 12.558 -4.237 521 HD21 LEU 66 HD21 LEU 66 -24.151 12.803 -6.414 522 HD22 LEU 66 HD22 LEU 66 -24.739 11.173 -6.105 523 HD23 LEU 66 HD23 LEU 66 -23.303 11.418 -7.100 524 H GLU 67 HN GLU 67 -22.753 7.817 -2.608 525 HA GLU 67 HA GLU 67 -21.475 5.834 -4.158 526 HB2 GLU 67 HB2 GLU 67 -21.140 4.618 -2.100 527 HB3 GLU 67 HB1 GLU 67 -20.919 6.333 -1.777 528 HG2 GLU 67 HG2 GLU 67 -23.073 6.474 -0.755 529 HG3 GLU 67 HG1 GLU 67 -23.430 4.807 -1.194 530 H MET 68 HN MET 68 -24.706 6.105 -2.826 531 HA MET 68 HA MET 68 -25.415 3.458 -3.837 532 HB2 MET 68 HB2 MET 68 -27.595 3.840 -2.824 533 HB3 MET 68 HB1 MET 68 -26.329 4.166 -1.651 534 HG2 MET 68 HG2 MET 68 -26.600 6.567 -2.022 535 HG3 MET 68 HG1 MET 68 -27.850 6.236 -3.223 536 HE1 MET 68 HE1 MET 68 -30.726 4.741 -1.040 537 HE2 MET 68 HE2 MET 68 -29.473 3.829 -1.880 538 HE3 MET 68 HE3 MET 68 -30.219 5.227 -2.658 539 H SER 69 HN SER 69 -25.277 6.634 -4.820 540 HA SER 69 HA SER 69 -25.890 7.813 -6.598 541 HB2 SER 69 HB2 SER 69 -26.457 5.099 -7.770 542 HB3 SER 69 HB1 SER 69 -26.274 6.599 -8.684 543 HG SER 69 HG SER 69 -24.157 6.360 -7.096 544 H1 MET 1 HT1 MET 1 -19.520 31.349 -15.996 545 HA MET 1 HA MET 1 -18.421 28.670 -16.557 546 HB2 MET 1 HB2 MET 1 -17.024 31.132 -15.489 547 HB3 MET 1 HB1 MET 1 -16.324 29.524 -15.581 548 HG2 MET 1 HG2 MET 1 -16.528 29.596 -18.024 549 HG3 MET 1 HG1 MET 1 -17.182 31.229 -17.903 550 HE1 MET 1 HE1 MET 1 -12.851 30.025 -16.833 551 HE2 MET 1 HE2 MET 1 -14.048 28.935 -17.532 552 HE3 MET 1 HE3 MET 1 -14.236 29.505 -15.873 553 H SER 2 HN SER 2 -18.006 27.461 -14.721 554 HA SER 2 HA SER 2 -19.631 28.117 -12.437 555 HB2 SER 2 HB2 SER 2 -17.783 25.753 -12.859 556 HB3 SER 2 HB1 SER 2 -19.078 25.883 -11.668 557 HG SER 2 HG SER 2 -19.299 25.727 -14.490 558 HA PRO 3 HA PRO 3 -16.348 30.222 -10.291 559 HB2 PRO 3 HB2 PRO 3 -17.360 29.878 -7.739 560 HB3 PRO 3 HB1 PRO 3 -17.854 31.159 -8.851 561 HG2 PRO 3 HG2 PRO 3 -19.179 28.549 -8.252 562 HG3 PRO 3 HG1 PRO 3 -19.906 30.144 -8.519 563 HD2 PRO 3 HD2 PRO 3 -19.917 28.255 -10.421 564 HD3 PRO 3 HD1 PRO 3 -19.733 29.977 -10.821 565 H TYR 4 HN TYR 4 -14.436 29.564 -9.552 566 HA TYR 4 HA TYR 4 -14.202 26.795 -8.630 567 HB2 TYR 4 HB2 TYR 4 -12.131 28.659 -9.808 568 HB3 TYR 4 HB1 TYR 4 -11.769 27.057 -9.179 569 HD1 TYR 4 HD1 TYR 4 -13.170 28.955 -11.951 570 HD2 TYR 4 HD2 TYR 4 -12.607 25.055 -10.349 571 HE1 TYR 4 HE1 TYR 4 -13.696 27.982 -14.150 572 HE2 TYR 4 HE2 TYR 4 -13.131 24.072 -12.539 573 HH TYR 4 HH TYR 4 -13.305 25.925 -15.396 574 H GLY 5 HN GLY 5 -14.605 26.942 -6.488 575 HA2 GLY 5 HA2 GLY 5 -12.541 28.320 -4.910 576 HA3 GLY 5 HA1 GLY 5 -14.236 28.497 -4.475 577 H SER 6 HN SER 6 -11.751 27.151 -3.244 578 HA SER 6 HA SER 6 -11.239 25.332 -1.996 579 HB2 SER 6 HB2 SER 6 -14.234 24.851 -2.033 580 HB3 SER 6 HB1 SER 6 -13.088 24.132 -0.902 581 HG SER 6 HG SER 6 -14.158 25.959 -0.018 582 H ASP 7 HN ASP 7 -10.145 24.428 -3.859 583 HA ASP 7 HA ASP 7 -11.439 21.969 -4.760 584 HB2 ASP 7 HB2 ASP 7 -11.131 22.352 -7.042 585 HB3 ASP 7 HB1 ASP 7 -11.739 23.889 -6.440 586 H THR 8 HN THR 8 -9.671 20.992 -6.450 587 HA THR 8 HA THR 8 -7.767 19.762 -4.924 588 HB THR 8 HB THR 8 -6.673 19.362 -7.266 589 HG1 THR 8 HG1 THR 8 -8.279 21.243 -7.948 590 HG21 THR 8 HG21 THR 8 -7.975 17.701 -6.031 591 HG22 THR 8 HG22 THR 8 -8.407 17.674 -7.741 592 HG23 THR 8 HG23 THR 8 -9.474 18.455 -6.574 593 H THR 9 HN THR 9 -5.724 20.089 -4.362 594 HA THR 9 HA THR 9 -4.328 22.432 -5.442 595 HB THR 9 HB THR 9 -4.156 21.359 -2.617 596 HG1 THR 9 HG1 THR 9 -6.168 22.557 -3.483 597 HG21 THR 9 HG21 THR 9 -2.130 22.493 -3.361 598 HG22 THR 9 HG22 THR 9 -2.989 23.482 -2.181 599 HG23 THR 9 HG23 THR 9 -3.085 23.874 -3.896 600 HA PRO 10 HA PRO 10 -1.369 19.187 -6.437 601 HB2 PRO 10 HB2 PRO 10 0.494 20.801 -7.580 602 HB3 PRO 10 HB1 PRO 10 -0.975 20.284 -8.420 603 HG2 PRO 10 HG2 PRO 10 -0.367 22.883 -7.078 604 HG3 PRO 10 HG1 PRO 10 -1.253 22.576 -8.582 605 HD2 PRO 10 HD2 PRO 10 -2.462 23.125 -6.193 606 HD3 PRO 10 HD1 PRO 10 -3.220 22.164 -7.478 607 H CYS 11 HN CYS 11 -0.147 18.331 -4.887 608 HA CYS 11 HA CYS 11 1.908 19.992 -3.624 609 HB2 CYS 11 HB2 CYS 11 -0.056 19.837 -2.076 610 HB3 CYS 11 HB1 CYS 11 0.102 18.085 -2.102 611 H CYS 12 HN CYS 12 3.541 18.519 -2.481 612 HA CYS 12 HA CYS 12 3.702 15.791 -3.140 613 HB2 CYS 12 HB2 CYS 12 5.514 15.924 -4.842 614 HB3 CYS 12 HB1 CYS 12 3.956 16.506 -5.420 615 H PHE 13 HN PHE 13 5.649 14.817 -2.496 616 HA PHE 13 HA PHE 13 7.812 16.377 -1.446 617 HB2 PHE 13 HB2 PHE 13 6.262 16.380 0.480 618 HB3 PHE 13 HB1 PHE 13 6.186 14.623 0.424 619 HD1 PHE 13 HD1 PHE 13 8.546 17.453 0.902 620 HD2 PHE 13 HD2 PHE 13 7.720 13.344 1.634 621 HE1 PHE 13 HE1 PHE 13 10.484 17.335 2.411 622 HE2 PHE 13 HE2 PHE 13 9.656 13.220 3.145 623 HZ PHE 13 HZ PHE 13 11.041 15.218 3.534 624 H ALA 14 HN ALA 14 8.978 15.289 -3.028 625 HA ALA 14 HA ALA 14 10.095 12.812 -2.274 626 HB1 ALA 14 HB1 ALA 14 8.239 12.765 -4.663 627 HB2 ALA 14 HB2 ALA 14 7.976 11.923 -3.137 628 HB3 ALA 14 HB3 ALA 14 9.323 11.463 -4.177 629 H TYR 15 HN TYR 15 11.278 11.952 -4.427 630 HA TYR 15 HA TYR 15 11.999 13.890 -6.348 631 HB2 TYR 15 HB2 TYR 15 14.396 14.120 -5.707 632 HB3 TYR 15 HB1 TYR 15 13.305 14.875 -4.553 633 HD1 TYR 15 HD1 TYR 15 15.550 11.999 -5.124 634 HD2 TYR 15 HD2 TYR 15 13.188 14.122 -2.292 635 HE1 TYR 15 HE1 TYR 15 16.616 10.743 -3.297 636 HE2 TYR 15 HE2 TYR 15 14.243 12.872 -0.463 637 HH TYR 15 HH TYR 15 15.404 10.705 -0.145 638 H LEU 16 HN LEU 16 13.275 12.975 -7.975 639 HA LEU 16 HA LEU 16 13.229 10.068 -7.881 640 HB2 LEU 16 HB2 LEU 16 12.997 12.079 -9.977 641 HB3 LEU 16 HB1 LEU 16 14.040 10.735 -10.402 642 HG LEU 16 HG LEU 16 11.318 10.240 -9.282 643 HD11 LEU 16 HD11 LEU 16 10.432 10.141 -11.569 644 HD12 LEU 16 HD12 LEU 16 11.998 10.664 -12.198 645 HD13 LEU 16 HD13 LEU 16 11.035 11.760 -11.207 646 HD21 LEU 16 HD21 LEU 16 12.839 8.368 -9.404 647 HD22 LEU 16 HD22 LEU 16 13.125 8.680 -11.115 648 HD23 LEU 16 HD23 LEU 16 11.530 8.164 -10.566 649 H SER 17 HN SER 17 14.877 8.842 -7.826 650 HA SER 17 HA SER 17 17.497 9.941 -7.402 651 HB2 SER 17 HB2 SER 17 16.617 7.066 -7.758 652 HB3 SER 17 HB1 SER 17 18.192 7.588 -7.154 653 HG SER 17 HG SER 17 15.668 8.111 -5.945 654 H LEU 18 HN LEU 18 15.677 8.615 -9.996 655 HA LEU 18 HA LEU 18 17.948 8.592 -11.813 656 HB2 LEU 18 HB2 LEU 18 15.024 7.900 -12.182 657 HB3 LEU 18 HB1 LEU 18 16.167 7.932 -13.505 658 HG LEU 18 HG LEU 18 17.470 6.132 -12.312 659 HD11 LEU 18 HD11 LEU 18 15.003 5.997 -10.588 660 HD12 LEU 18 HD12 LEU 18 16.614 6.481 -10.059 661 HD13 LEU 18 HD13 LEU 18 16.324 4.828 -10.601 662 HD21 LEU 18 HD21 LEU 18 14.622 5.501 -13.064 663 HD22 LEU 18 HD22 LEU 18 15.951 4.345 -12.980 664 HD23 LEU 18 HD23 LEU 18 15.984 5.640 -14.176 665 H ALA 19 HN ALA 19 17.986 10.948 -11.032 666 HA ALA 19 HA ALA 19 16.176 12.894 -11.684 667 HB1 ALA 19 HB1 ALA 19 19.176 13.164 -11.738 668 HB2 ALA 19 HB2 ALA 19 18.156 13.278 -10.303 669 HB3 ALA 19 HB3 ALA 19 18.011 14.479 -11.586 670 H LEU 20 HN LEU 20 15.466 13.810 -13.424 671 HA LEU 20 HA LEU 20 16.197 12.945 -16.014 672 HB2 LEU 20 HB2 LEU 20 14.565 14.517 -16.823 673 HB3 LEU 20 HB1 LEU 20 13.916 13.713 -15.410 674 HG LEU 20 HG LEU 20 15.170 16.454 -15.241 675 HD11 LEU 20 HD11 LEU 20 12.920 17.388 -15.385 676 HD12 LEU 20 HD12 LEU 20 12.278 15.784 -15.738 677 HD13 LEU 20 HD13 LEU 20 13.376 16.564 -16.877 678 HD21 LEU 20 HD21 LEU 20 13.241 14.934 -13.482 679 HD22 LEU 20 HD22 LEU 20 13.683 16.624 -13.252 680 HD23 LEU 20 HD23 LEU 20 14.910 15.368 -13.105 681 HA PRO 21 HA PRO 21 19.584 15.757 -16.700 682 HB2 PRO 21 HB2 PRO 21 19.515 15.687 -19.452 683 HB3 PRO 21 HB1 PRO 21 20.297 14.463 -18.450 684 HG2 PRO 21 HG2 PRO 21 17.631 14.417 -19.779 685 HG3 PRO 21 HG1 PRO 21 18.806 13.107 -19.573 686 HD2 PRO 21 HD2 PRO 21 16.585 13.331 -18.050 687 HD3 PRO 21 HD1 PRO 21 18.099 12.642 -17.433 688 H ARG 22 HN ARG 22 19.956 17.874 -17.606 689 HA ARG 22 HA ARG 22 17.798 19.633 -17.337 690 HB2 ARG 22 HB2 ARG 22 20.382 20.160 -18.808 691 HB3 ARG 22 HB1 ARG 22 19.271 21.378 -18.205 692 HG2 ARG 22 HG2 ARG 22 19.709 20.478 -15.897 693 HG3 ARG 22 HG1 ARG 22 20.995 19.504 -16.613 694 HD2 ARG 22 HD2 ARG 22 20.775 22.504 -16.545 695 HD3 ARG 22 HD1 ARG 22 21.977 21.501 -15.744 696 HE ARG 22 HE ARG 22 21.805 21.535 -18.676 697 HH11 ARG 22 HH11 ARG 22 23.649 22.109 -15.743 698 HH12 ARG 22 HH12 ARG 22 25.104 22.507 -16.588 699 HH21 ARG 22 HH21 ARG 22 23.731 22.039 -19.791 700 HH22 ARG 22 HH22 ARG 22 25.153 22.474 -18.898 701 H ALA 23 HN ALA 23 19.141 18.087 -20.164 702 HA ALA 23 HA ALA 23 17.794 19.608 -22.122 703 HB1 ALA 23 HB1 ALA 23 19.718 18.182 -22.630 704 HB2 ALA 23 HB2 ALA 23 18.334 17.786 -23.649 705 HB3 ALA 23 HB3 ALA 23 18.748 16.751 -22.282 706 H HIS 24 HN HIS 24 16.572 17.437 -19.834 707 HA HIS 24 HA HIS 24 14.277 16.725 -21.488 708 HB2 HIS 24 HB2 HIS 24 15.384 15.678 -18.912 709 HB3 HIS 24 HB1 HIS 24 13.718 15.360 -19.361 710 HD1 HIS 24 HD1 HIS 24 14.252 12.820 -19.546 711 HD2 HIS 24 HD2 HIS 24 16.392 15.219 -22.182 712 HE1 HIS 24 HE1 HIS 24 15.265 11.246 -21.208 713 H VAL 25 HN VAL 25 15.194 19.029 -19.161 714 HA VAL 25 HA VAL 25 12.427 19.348 -18.257 715 HB VAL 25 HB VAL 25 14.428 19.287 -16.609 716 HG11 VAL 25 HG11 VAL 25 14.620 22.192 -17.401 717 HG12 VAL 25 HG12 VAL 25 15.805 20.956 -17.832 718 HG13 VAL 25 HG13 VAL 25 15.537 21.373 -16.138 719 HG21 VAL 25 HG21 VAL 25 12.405 21.512 -16.444 720 HG22 VAL 25 HG22 VAL 25 13.300 20.817 -15.091 721 HG23 VAL 25 HG23 VAL 25 12.141 19.831 -15.983 722 H LYS 26 HN LYS 26 11.311 21.260 -18.487 723 HA LYS 26 HA LYS 26 12.435 23.107 -20.474 724 HB2 LYS 26 HB2 LYS 26 10.400 22.030 -21.248 725 HB3 LYS 26 HB1 LYS 26 9.559 22.492 -19.778 726 HG2 LYS 26 HG2 LYS 26 9.579 24.788 -20.390 727 HG3 LYS 26 HG1 LYS 26 10.678 24.481 -21.734 728 HD2 LYS 26 HD2 LYS 26 8.328 24.815 -22.440 729 HD3 LYS 26 HD1 LYS 26 8.976 23.245 -22.906 730 HE2 LYS 26 HE2 LYS 26 7.790 22.154 -21.143 731 HE3 LYS 26 HE1 LYS 26 7.311 23.693 -20.435 732 HZ1 LYS 26 HZ1 LYS 26 6.445 22.647 -23.075 733 HZ2 LYS 26 HZ2 LYS 26 5.999 24.136 -22.435 734 HZ3 LYS 26 HZ3 LYS 26 5.489 22.711 -21.682 735 H GLU 27 HN GLU 27 10.708 22.931 -17.396 736 HA GLU 27 HA GLU 27 11.815 25.461 -16.606 737 HB2 GLU 27 HB2 GLU 27 9.660 26.559 -16.188 738 HB3 GLU 27 HB1 GLU 27 9.833 26.169 -17.895 739 HG2 GLU 27 HG2 GLU 27 8.450 24.174 -17.552 740 HG3 GLU 27 HG1 GLU 27 8.231 24.646 -15.866 741 H TYR 28 HN TYR 28 10.808 26.062 -14.364 742 HA TYR 28 HA TYR 28 10.182 23.646 -12.833 743 HB2 TYR 28 HB2 TYR 28 11.740 24.203 -11.075 744 HB3 TYR 28 HB1 TYR 28 12.631 24.182 -12.587 745 HD1 TYR 28 HD1 TYR 28 11.542 26.185 -9.766 746 HD2 TYR 28 HD2 TYR 28 13.392 26.337 -13.596 747 HE1 TYR 28 HE1 TYR 28 12.389 28.446 -9.269 748 HE2 TYR 28 HE2 TYR 28 14.247 28.598 -13.097 749 HH TYR 28 HH TYR 28 14.205 29.923 -9.982 750 H PHE 29 HN PHE 29 9.005 24.057 -10.887 751 HA PHE 29 HA PHE 29 7.940 26.758 -10.548 752 HB2 PHE 29 HB2 PHE 29 6.471 25.593 -12.190 753 HB3 PHE 29 HB1 PHE 29 6.198 24.319 -11.014 754 HD1 PHE 29 HD1 PHE 29 5.943 28.039 -11.228 755 HD2 PHE 29 HD2 PHE 29 4.228 24.399 -9.848 756 HE1 PHE 29 HE1 PHE 29 4.006 29.284 -10.368 757 HE2 PHE 29 HE2 PHE 29 2.287 25.639 -8.981 758 HZ PHE 29 HZ PHE 29 2.174 28.085 -9.242 759 H TYR 30 HN TYR 30 7.038 27.083 -8.453 760 HA TYR 30 HA TYR 30 7.990 25.144 -6.499 761 HB2 TYR 30 HB2 TYR 30 7.147 28.010 -6.358 762 HB3 TYR 30 HB1 TYR 30 7.134 27.034 -4.895 763 HD1 TYR 30 HD1 TYR 30 9.454 27.605 -7.786 764 HD2 TYR 30 HD2 TYR 30 8.997 27.232 -3.575 765 HE1 TYR 30 HE1 TYR 30 11.865 27.990 -7.490 766 HE2 TYR 30 HE2 TYR 30 11.405 27.618 -3.274 767 HH TYR 30 HH TYR 30 13.412 28.727 -5.814 768 H THR 31 HN THR 31 6.702 24.194 -4.930 769 HA THR 31 HA THR 31 4.154 23.399 -5.801 770 HB THR 31 HB THR 31 3.958 22.427 -3.464 771 HG1 THR 31 HG1 THR 31 5.343 23.137 -2.053 772 HG21 THR 31 HG21 THR 31 6.441 21.751 -5.038 773 HG22 THR 31 HG22 THR 31 4.814 21.190 -5.418 774 HG23 THR 31 HG23 THR 31 5.589 20.691 -3.915 775 H SER 32 HN SER 32 2.180 23.529 -4.458 776 HA SER 32 HA SER 32 1.323 26.165 -4.160 777 HB2 SER 32 HB2 SER 32 0.131 23.691 -2.903 778 HB3 SER 32 HB1 SER 32 -0.704 25.201 -3.263 779 HG SER 32 HG SER 32 -0.040 23.102 -4.912 780 H SER 33 HN SER 33 0.853 27.393 -2.306 781 HA SER 33 HA SER 33 2.695 27.081 -0.157 782 HB2 SER 33 HB2 SER 33 0.350 28.965 -0.411 783 HB3 SER 33 HB1 SER 33 1.698 29.121 0.717 784 HG SER 33 HG SER 33 2.987 29.005 -1.384 785 H LYS 34 HN LYS 34 -0.217 25.647 -0.796 786 HA LYS 34 HA LYS 34 -1.309 25.482 1.849 787 HB2 LYS 34 HB2 LYS 34 -1.812 23.796 -0.607 788 HB3 LYS 34 HB1 LYS 34 -2.757 23.724 0.869 789 HG2 LYS 34 HG2 LYS 34 -2.500 26.192 -0.838 790 HG3 LYS 34 HG1 LYS 34 -3.806 25.016 -0.986 791 HD2 LYS 34 HD2 LYS 34 -4.320 25.421 1.434 792 HD3 LYS 34 HD1 LYS 34 -3.148 26.739 1.397 793 HE2 LYS 34 HE2 LYS 34 -5.418 27.577 1.082 794 HE3 LYS 34 HE1 LYS 34 -4.440 27.845 -0.360 795 HZ1 LYS 34 HZ1 LYS 34 -5.486 25.958 -1.411 796 HZ2 LYS 34 HZ2 LYS 34 -6.683 27.015 -0.863 797 HZ3 LYS 34 HZ3 LYS 34 -6.357 25.599 -0.006 798 H CYS 35 HN CYS 35 1.143 23.859 0.078 799 HA CYS 35 HA CYS 35 1.050 21.316 1.311 800 HB2 CYS 35 HB2 CYS 35 3.426 22.702 0.056 801 HB3 CYS 35 HB1 CYS 35 3.235 20.971 0.316 802 H SER 36 HN SER 36 2.510 20.425 2.863 803 HA SER 36 HA SER 36 3.116 22.287 5.002 804 HB2 SER 36 HB2 SER 36 3.384 19.276 4.918 805 HB3 SER 36 HB1 SER 36 3.474 20.291 6.358 806 HG SER 36 HG SER 36 1.384 19.211 5.780 807 H ASN 37 HN ASN 37 4.749 21.334 2.360 808 HA ASN 37 HA ASN 37 7.332 21.784 3.640 809 HB2 ASN 37 HB2 ASN 37 8.368 19.954 2.350 810 HB3 ASN 37 HB1 ASN 37 7.150 19.348 3.467 811 HD21 ASN 37 HD21 ASN 37 8.034 19.779 0.145 812 HD22 ASN 37 HD22 ASN 37 6.730 18.856 -0.531 813 H LEU 38 HN LEU 38 9.000 22.361 2.086 814 HA LEU 38 HA LEU 38 7.849 23.820 -0.160 815 HB2 LEU 38 HB2 LEU 38 9.470 24.828 1.602 816 HB3 LEU 38 HB1 LEU 38 10.717 23.933 0.764 817 HG LEU 38 HG LEU 38 10.645 26.302 0.103 818 HD11 LEU 38 HD11 LEU 38 11.577 24.866 -1.489 819 HD12 LEU 38 HD12 LEU 38 10.520 25.977 -2.359 820 HD13 LEU 38 HD13 LEU 38 9.995 24.324 -2.042 821 HD21 LEU 38 HD21 LEU 38 8.243 26.681 0.384 822 HD22 LEU 38 HD22 LEU 38 7.923 25.669 -1.026 823 HD23 LEU 38 HD23 LEU 38 8.803 27.185 -1.209 824 H ALA 39 HN ALA 39 7.966 22.970 -2.114 825 HA ALA 39 HA ALA 39 10.239 21.317 -2.836 826 HB1 ALA 39 HB1 ALA 39 8.606 19.696 -2.031 827 HB2 ALA 39 HB2 ALA 39 8.809 19.554 -3.778 828 HB3 ALA 39 HB3 ALA 39 7.390 20.364 -3.117 829 H VAL 40 HN VAL 40 10.153 20.842 -5.247 830 HA VAL 40 HA VAL 40 8.684 22.964 -6.613 831 HB VAL 40 HB VAL 40 10.509 23.441 -8.099 832 HG11 VAL 40 HG11 VAL 40 10.442 24.689 -6.020 833 HG12 VAL 40 HG12 VAL 40 12.100 24.471 -6.581 834 HG13 VAL 40 HG13 VAL 40 11.478 23.482 -5.256 835 HG21 VAL 40 HG21 VAL 40 12.711 22.453 -7.867 836 HG22 VAL 40 HG22 VAL 40 11.498 21.219 -8.206 837 HG23 VAL 40 HG23 VAL 40 12.125 21.413 -6.566 838 H VAL 41 HN VAL 41 8.297 22.577 -8.805 839 HA VAL 41 HA VAL 41 8.212 19.728 -9.475 840 HB VAL 41 HB VAL 41 6.107 21.783 -10.175 841 HG11 VAL 41 HG11 VAL 41 6.178 20.037 -11.783 842 HG12 VAL 41 HG12 VAL 41 4.786 19.745 -10.731 843 HG13 VAL 41 HG13 VAL 41 6.261 18.805 -10.524 844 HG21 VAL 41 HG21 VAL 41 4.670 20.671 -8.528 845 HG22 VAL 41 HG22 VAL 41 6.091 21.389 -7.770 846 HG23 VAL 41 HG23 VAL 41 6.023 19.648 -8.043 847 H PHE 42 HN PHE 42 9.318 19.329 -11.226 848 HA PHE 42 HA PHE 42 10.016 21.512 -13.022 849 HB2 PHE 42 HB2 PHE 42 11.031 18.684 -12.776 850 HB3 PHE 42 HB1 PHE 42 11.560 19.799 -14.024 851 HD1 PHE 42 HD1 PHE 42 11.841 18.817 -10.567 852 HD2 PHE 42 HD2 PHE 42 12.829 21.827 -13.401 853 HE1 PHE 42 HE1 PHE 42 13.541 19.704 -9.031 854 HE2 PHE 42 HE2 PHE 42 14.533 22.717 -11.877 855 HZ PHE 42 HZ PHE 42 14.899 21.656 -9.691 856 H VAL 43 HN VAL 43 9.336 21.647 -15.048 857 HA VAL 43 HA VAL 43 7.381 19.651 -15.929 858 HB VAL 43 HB VAL 43 7.866 22.427 -17.025 859 HG11 VAL 43 HG11 VAL 43 6.893 20.906 -18.652 860 HG12 VAL 43 HG12 VAL 43 5.720 22.122 -18.146 861 HG13 VAL 43 HG13 VAL 43 5.618 20.479 -17.507 862 HG21 VAL 43 HG21 VAL 43 5.721 21.463 -15.135 863 HG22 VAL 43 HG22 VAL 43 5.786 23.061 -15.878 864 HG23 VAL 43 HG23 VAL 43 7.041 22.564 -14.742 865 H THR 44 HN THR 44 8.154 18.180 -17.273 866 HA THR 44 HA THR 44 10.678 18.440 -18.549 867 HB THR 44 HB THR 44 10.095 16.283 -19.650 868 HG1 THR 44 HG1 THR 44 7.780 16.157 -18.078 869 HG21 THR 44 HG21 THR 44 11.119 16.292 -17.426 870 HG22 THR 44 HG22 THR 44 9.980 14.954 -17.594 871 HG23 THR 44 HG23 THR 44 9.520 16.396 -16.689 872 H ARG 45 HN ARG 45 10.858 17.870 -20.963 873 HA ARG 45 HA ARG 45 9.621 19.943 -22.457 874 HB2 ARG 45 HB2 ARG 45 11.032 17.497 -23.559 875 HB3 ARG 45 HB1 ARG 45 10.779 19.022 -24.391 876 HG2 ARG 45 HG2 ARG 45 12.514 18.639 -21.956 877 HG3 ARG 45 HG1 ARG 45 13.091 18.718 -23.619 878 HD2 ARG 45 HD2 ARG 45 11.619 20.906 -22.162 879 HD3 ARG 45 HD1 ARG 45 13.357 20.852 -22.428 880 HE ARG 45 HE ARG 45 11.300 21.227 -24.500 881 HH11 ARG 45 HH11 ARG 45 14.668 21.429 -23.465 882 HH12 ARG 45 HH12 ARG 45 15.171 22.319 -24.855 883 HH21 ARG 45 HH21 ARG 45 11.988 22.415 -26.345 884 HH22 ARG 45 HH22 ARG 45 13.644 22.883 -26.493 885 H ARG 46 HN ARG 46 8.742 16.738 -21.689 886 HA ARG 46 HA ARG 46 6.789 16.512 -23.831 887 HB2 ARG 46 HB2 ARG 46 7.655 14.676 -21.600 888 HB3 ARG 46 HB1 ARG 46 6.205 14.350 -22.532 889 HG2 ARG 46 HG2 ARG 46 8.054 13.056 -23.396 890 HG3 ARG 46 HG1 ARG 46 7.562 14.259 -24.586 891 HD2 ARG 46 HD2 ARG 46 9.432 15.670 -23.986 892 HD3 ARG 46 HD1 ARG 46 9.873 14.579 -22.677 893 HE ARG 46 HE ARG 46 10.180 12.892 -24.581 894 HH11 ARG 46 HH11 ARG 46 10.762 16.328 -25.001 895 HH12 ARG 46 HH12 ARG 46 12.043 16.095 -26.141 896 HH21 ARG 46 HH21 ARG 46 11.859 12.601 -26.106 897 HH22 ARG 46 HH22 ARG 46 12.671 13.985 -26.764 898 H ASN 47 HN ASN 47 6.935 18.297 -21.225 899 HA ASN 47 HA ASN 47 5.481 19.455 -19.974 900 HB2 ASN 47 HB2 ASN 47 3.438 18.176 -21.782 901 HB3 ASN 47 HB1 ASN 47 3.044 19.402 -20.580 902 HD21 ASN 47 HD21 ASN 47 4.530 18.747 -23.632 903 HD22 ASN 47 HD22 ASN 47 4.770 20.392 -24.099 904 H ARG 48 HN ARG 48 6.232 16.609 -19.387 905 HA ARG 48 HA ARG 48 4.021 15.849 -17.613 906 HB2 ARG 48 HB2 ARG 48 5.450 14.192 -19.047 907 HB3 ARG 48 HB1 ARG 48 6.656 14.406 -17.786 908 HG2 ARG 48 HG2 ARG 48 4.304 13.866 -16.407 909 HG3 ARG 48 HG1 ARG 48 4.260 12.786 -17.799 910 HD2 ARG 48 HD2 ARG 48 5.457 11.467 -16.380 911 HD3 ARG 48 HD1 ARG 48 6.792 12.390 -17.070 912 HE ARG 48 HE ARG 48 5.910 13.811 -14.853 913 HH11 ARG 48 HH11 ARG 48 7.339 10.656 -15.483 914 HH12 ARG 48 HH12 ARG 48 8.065 10.538 -13.918 915 HH21 ARG 48 HH21 ARG 48 6.837 13.627 -12.780 916 HH22 ARG 48 HH22 ARG 48 7.759 12.223 -12.351 917 H GLN 49 HN GLN 49 4.012 16.621 -15.596 918 HA GLN 49 HA GLN 49 6.296 18.075 -14.647 919 HB2 GLN 49 HB2 GLN 49 3.723 17.512 -13.147 920 HB3 GLN 49 HB1 GLN 49 4.938 18.721 -12.785 921 HG2 GLN 49 HG2 GLN 49 4.454 19.857 -14.898 922 HG3 GLN 49 HG1 GLN 49 3.192 18.672 -15.229 923 HE21 GLN 49 HE21 GLN 49 3.867 19.875 -12.053 924 HE22 GLN 49 HE22 GLN 49 2.412 20.791 -11.866 925 H VAL 50 HN VAL 50 7.502 17.702 -12.821 926 HA VAL 50 HA VAL 50 7.249 15.098 -11.502 927 HB VAL 50 HB VAL 50 8.983 14.909 -13.291 928 HG11 VAL 50 HG11 VAL 50 9.700 17.204 -13.345 929 HG12 VAL 50 HG12 VAL 50 11.070 16.109 -13.121 930 HG13 VAL 50 HG13 VAL 50 10.430 17.022 -11.751 931 HG21 VAL 50 HG21 VAL 50 10.778 14.008 -11.872 932 HG22 VAL 50 HG22 VAL 50 9.179 13.527 -11.301 933 HG23 VAL 50 HG23 VAL 50 10.059 14.814 -10.477 934 H CYS 51 HN CYS 51 7.761 15.177 -9.327 935 HA CYS 51 HA CYS 51 8.266 17.874 -8.307 936 HB2 CYS 51 HB2 CYS 51 7.044 15.460 -6.991 937 HB3 CYS 51 HB1 CYS 51 7.325 17.006 -6.196 938 H ALA 52 HN ALA 52 9.926 18.324 -6.973 939 HA ALA 52 HA ALA 52 11.515 16.148 -5.900 940 HB1 ALA 52 HB1 ALA 52 13.600 16.992 -6.813 941 HB2 ALA 52 HB2 ALA 52 12.727 18.252 -7.685 942 HB3 ALA 52 HB3 ALA 52 12.488 16.556 -8.111 943 H ASN 53 HN ASN 53 12.668 16.697 -4.118 944 HA ASN 53 HA ASN 53 11.870 19.131 -2.812 945 HB2 ASN 53 HB2 ASN 53 13.628 16.846 -1.886 946 HB3 ASN 53 HB1 ASN 53 13.182 18.223 -0.884 947 HD21 ASN 53 HD21 ASN 53 10.483 18.423 -1.880 948 HD22 ASN 53 HD22 ASN 53 9.618 17.088 -1.212 949 HA PRO 54 HA PRO 54 15.320 21.528 -4.287 950 HB2 PRO 54 HB2 PRO 54 15.097 23.535 -2.425 951 HB3 PRO 54 HB1 PRO 54 14.070 23.405 -3.857 952 HG2 PRO 54 HG2 PRO 54 13.531 22.509 -1.055 953 HG3 PRO 54 HG1 PRO 54 12.473 23.386 -2.176 954 HD2 PRO 54 HD2 PRO 54 12.172 20.781 -1.789 955 HD3 PRO 54 HD1 PRO 54 12.004 21.487 -3.414 956 H GLU 55 HN GLU 55 15.203 19.857 -1.401 957 HA GLU 55 HA GLU 55 17.585 20.928 -0.227 958 HB2 GLU 55 HB2 GLU 55 16.214 18.315 0.397 959 HB3 GLU 55 HB1 GLU 55 17.328 19.203 1.427 960 HG2 GLU 55 HG2 GLU 55 15.704 21.011 1.631 961 HG3 GLU 55 HG1 GLU 55 14.586 20.122 0.597 962 H LYS 56 HN LYS 56 17.136 19.197 -2.935 963 HA LYS 56 HA LYS 56 19.562 17.579 -2.608 964 HB2 LYS 56 HB2 LYS 56 17.515 17.504 -4.830 965 HB3 LYS 56 HB1 LYS 56 18.900 16.439 -4.687 966 HG2 LYS 56 HG2 LYS 56 16.760 16.547 -2.573 967 HG3 LYS 56 HG1 LYS 56 16.598 15.539 -4.006 968 HD2 LYS 56 HD2 LYS 56 17.465 14.109 -2.335 969 HD3 LYS 56 HD1 LYS 56 18.846 14.513 -3.351 970 HE2 LYS 56 HE2 LYS 56 19.675 16.056 -1.730 971 HE3 LYS 56 HE1 LYS 56 18.189 15.960 -0.785 972 HZ1 LYS 56 HZ1 LYS 56 18.731 13.667 -0.276 973 HZ2 LYS 56 HZ2 LYS 56 19.997 14.686 0.187 974 HZ3 LYS 56 HZ3 LYS 56 20.131 13.761 -1.218 975 H LYS 57 HN LYS 57 21.320 17.868 -3.874 976 HA LYS 57 HA LYS 57 21.881 20.474 -4.721 977 HB2 LYS 57 HB2 LYS 57 23.561 18.766 -3.997 978 HB3 LYS 57 HB1 LYS 57 23.330 17.950 -5.533 979 HG2 LYS 57 HG2 LYS 57 25.188 19.161 -6.032 980 HG3 LYS 57 HG1 LYS 57 23.958 20.336 -6.491 981 HD2 LYS 57 HD2 LYS 57 25.320 20.254 -3.796 982 HD3 LYS 57 HD1 LYS 57 25.828 21.287 -5.127 983 HE2 LYS 57 HE2 LYS 57 23.585 22.351 -5.093 984 HE3 LYS 57 HE1 LYS 57 23.174 21.356 -3.696 985 HZ1 LYS 57 HZ1 LYS 57 23.885 23.559 -3.039 986 HZ2 LYS 57 HZ2 LYS 57 25.376 23.337 -3.796 987 HZ3 LYS 57 HZ3 LYS 57 24.953 22.387 -2.461 988 H TRP 58 HN TRP 58 20.764 17.658 -6.501 989 HA TRP 58 HA TRP 58 21.254 18.518 -9.125 990 HB2 TRP 58 HB2 TRP 58 18.727 17.047 -8.415 991 HB3 TRP 58 HB1 TRP 58 19.745 16.860 -9.834 992 HD1 TRP 58 HD1 TRP 58 22.488 16.148 -8.589 993 HE1 TRP 58 HE1 TRP 58 22.825 13.940 -7.307 994 HE3 TRP 58 HE3 TRP 58 17.630 15.181 -7.364 995 HZ2 TRP 58 HZ2 TRP 58 21.239 12.045 -5.952 996 HZ3 TRP 58 HZ3 TRP 58 17.121 13.151 -6.072 997 HH2 TRP 58 HH2 TRP 58 18.888 11.615 -5.382 998 H VAL 59 HN VAL 59 18.591 19.030 -6.949 999 HA VAL 59 HA VAL 59 16.894 20.347 -8.785 1000 HB VAL 59 HB VAL 59 16.904 20.499 -5.763 1001 HG11 VAL 59 HG11 VAL 59 14.745 21.104 -7.773 1002 HG12 VAL 59 HG12 VAL 59 15.577 22.268 -6.742 1003 HG13 VAL 59 HG13 VAL 59 14.517 21.051 -6.028 1004 HG21 VAL 59 HG21 VAL 59 15.256 18.708 -5.837 1005 HG22 VAL 59 HG22 VAL 59 16.769 18.196 -6.588 1006 HG23 VAL 59 HG23 VAL 59 15.392 18.641 -7.593 1007 H GLN 60 HN GLN 60 19.268 21.396 -6.440 1008 HA GLN 60 HA GLN 60 18.734 24.158 -6.654 1009 HB2 GLN 60 HB2 GLN 60 21.255 22.719 -5.821 1010 HB3 GLN 60 HB1 GLN 60 20.956 24.436 -5.598 1011 HG2 GLN 60 HG2 GLN 60 19.266 22.259 -4.405 1012 HG3 GLN 60 HG1 GLN 60 20.596 23.046 -3.567 1013 HE21 GLN 60 HE21 GLN 60 17.368 23.367 -4.756 1014 HE22 GLN 60 HE22 GLN 60 16.988 24.843 -3.949 1015 H GLU 61 HN GLU 61 20.982 21.975 -8.296 1016 HA GLU 61 HA GLU 61 22.259 24.001 -9.784 1017 HB2 GLU 61 HB2 GLU 61 21.962 21.043 -10.233 1018 HB3 GLU 61 HB1 GLU 61 22.936 22.084 -11.264 1019 HG2 GLU 61 HG2 GLU 61 23.332 21.794 -8.308 1020 HG3 GLU 61 HG1 GLU 61 24.202 20.864 -9.517 1021 H TYR 62 HN TYR 62 19.511 21.902 -10.430 1022 HA TYR 62 HA TYR 62 19.207 22.794 -13.105 1023 HB2 TYR 62 HB2 TYR 62 17.480 21.227 -11.232 1024 HB3 TYR 62 HB1 TYR 62 16.817 21.813 -12.756 1025 HD1 TYR 62 HD1 TYR 62 20.212 20.489 -11.951 1026 HD2 TYR 62 HD2 TYR 62 16.602 19.954 -14.127 1027 HE1 TYR 62 HE1 TYR 62 21.220 18.589 -13.130 1028 HE2 TYR 62 HE2 TYR 62 17.599 18.050 -15.314 1029 HH TYR 62 HH TYR 62 20.571 16.634 -14.349 1030 H ILE 63 HN ILE 63 17.801 23.787 -10.049 1031 HA ILE 63 HA ILE 63 15.992 25.653 -11.182 1032 HB ILE 63 HB ILE 63 17.218 25.451 -8.433 1033 HG12 ILE 63 HG12 ILE 63 14.389 25.053 -9.430 1034 HG13 ILE 63 HG11 ILE 63 15.531 23.767 -9.052 1035 HG21 ILE 63 HG21 ILE 63 15.653 27.206 -7.700 1036 HG22 ILE 63 HG22 ILE 63 15.207 27.487 -9.385 1037 HG23 ILE 63 HG23 ILE 63 16.856 27.803 -8.844 1038 HD11 ILE 63 HD11 ILE 63 15.577 24.540 -6.717 1039 HD12 ILE 63 HD12 ILE 63 13.974 24.036 -7.246 1040 HD13 ILE 63 HD13 ILE 63 14.360 25.753 -7.119 1041 H ASN 64 HN ASN 64 19.259 25.965 -9.881 1042 HA ASN 64 HA ASN 64 19.479 28.744 -10.276 1043 HB2 ASN 64 HB2 ASN 64 21.367 28.435 -9.105 1044 HB3 ASN 64 HB1 ASN 64 21.084 26.703 -9.168 1045 HD21 ASN 64 HD21 ASN 64 22.120 25.495 -10.793 1046 HD22 ASN 64 HD22 ASN 64 23.560 26.068 -11.560 1047 H TYR 65 HN TYR 65 20.051 25.998 -12.366 1048 HA TYR 65 HA TYR 65 21.355 27.557 -14.382 1049 HB2 TYR 65 HB2 TYR 65 21.691 25.076 -14.104 1050 HB3 TYR 65 HB1 TYR 65 20.060 24.861 -14.735 1051 HD1 TYR 65 HD1 TYR 65 23.416 26.165 -15.583 1052 HD2 TYR 65 HD2 TYR 65 19.632 24.906 -17.061 1053 HE1 TYR 65 HE1 TYR 65 24.292 26.250 -17.877 1054 HE2 TYR 65 HE2 TYR 65 20.498 24.984 -19.360 1055 HH TYR 65 HH TYR 65 23.834 25.314 -20.058 1056 H LEU 66 HN LEU 66 18.088 26.255 -13.927 1057 HA LEU 66 HA LEU 66 17.157 27.220 -16.439 1058 HB2 LEU 66 HB2 LEU 66 15.652 26.311 -13.990 1059 HB3 LEU 66 HB1 LEU 66 14.867 26.787 -15.481 1060 HG LEU 66 HG LEU 66 16.777 24.482 -15.155 1061 HD11 LEU 66 HD11 LEU 66 14.785 23.101 -15.448 1062 HD12 LEU 66 HD12 LEU 66 13.783 24.550 -15.482 1063 HD13 LEU 66 HD13 LEU 66 14.660 24.118 -14.014 1064 HD21 LEU 66 HD21 LEU 66 16.037 23.877 -17.425 1065 HD22 LEU 66 HD22 LEU 66 16.877 25.425 -17.397 1066 HD23 LEU 66 HD23 LEU 66 15.118 25.380 -17.515 1067 H GLU 67 HN GLU 67 17.374 28.641 -13.263 1068 HA GLU 67 HA GLU 67 15.611 30.813 -13.865 1069 HB2 GLU 67 HB2 GLU 67 16.231 31.727 -11.744 1070 HB3 GLU 67 HB1 GLU 67 16.110 29.983 -11.546 1071 HG2 GLU 67 HG2 GLU 67 18.526 29.790 -11.677 1072 HG3 GLU 67 HG1 GLU 67 18.652 31.535 -11.880 1073 H MET 68 HN MET 68 19.027 30.203 -14.270 1074 HA MET 68 HA MET 68 19.556 32.999 -14.884 1075 HB2 MET 68 HB2 MET 68 21.879 32.396 -15.110 1076 HB3 MET 68 HB1 MET 68 21.255 31.669 -13.639 1077 HG2 MET 68 HG2 MET 68 21.108 29.513 -14.725 1078 HG3 MET 68 HG1 MET 68 21.620 30.222 -16.256 1079 HE1 MET 68 HE1 MET 68 25.337 31.208 -15.495 1080 HE2 MET 68 HE2 MET 68 23.931 32.247 -15.281 1081 HE3 MET 68 HE3 MET 68 24.044 31.198 -16.695 1082 H SER 69 HN SER 69 18.910 30.013 -16.497 1083 HA SER 69 HA SER 69 18.493 29.494 -18.653 1084 HB2 SER 69 HB2 SER 69 17.080 31.537 -18.590 1085 HB3 SER 69 HB1 SER 69 18.467 32.488 -19.112 1086 HG SER 69 HG SER 69 16.987 31.823 -20.799 Start of MODEL 15 1 H1 MET 1 HT1 MET 1 5.986 1.864 -15.161 2 HA MET 1 HA MET 1 4.226 3.218 -15.936 3 HB2 MET 1 HB2 MET 1 3.077 2.830 -13.165 4 HB3 MET 1 HB1 MET 1 2.463 3.959 -14.361 5 HG2 MET 1 HG2 MET 1 1.837 2.164 -15.818 6 HG3 MET 1 HG1 MET 1 2.601 0.984 -14.756 7 HE1 MET 1 HE1 MET 1 0.468 4.113 -13.633 8 HE2 MET 1 HE2 MET 1 -1.152 3.420 -13.588 9 HE3 MET 1 HE3 MET 1 -0.312 3.596 -15.128 10 H SER 2 HN SER 2 4.949 3.544 -12.460 11 HA SER 2 HA SER 2 6.437 5.984 -13.118 12 HB2 SER 2 HB2 SER 2 4.685 5.696 -10.680 13 HB3 SER 2 HB1 SER 2 5.451 7.159 -11.297 14 HG SER 2 HG SER 2 3.092 5.979 -12.007 15 HA PRO 3 HA PRO 3 9.195 3.265 -10.566 16 HB2 PRO 3 HB2 PRO 3 11.236 4.727 -12.131 17 HB3 PRO 3 HB1 PRO 3 11.050 2.986 -11.894 18 HG2 PRO 3 HG2 PRO 3 10.497 4.141 -14.249 19 HG3 PRO 3 HG1 PRO 3 9.547 2.774 -13.638 20 HD2 PRO 3 HD2 PRO 3 8.883 5.692 -13.644 21 HD3 PRO 3 HD1 PRO 3 7.836 4.298 -13.983 22 H TYR 4 HN TYR 4 9.728 6.587 -11.652 23 HA TYR 4 HA TYR 4 10.291 7.352 -8.873 24 HB2 TYR 4 HB2 TYR 4 11.469 8.567 -11.389 25 HB3 TYR 4 HB1 TYR 4 11.743 9.133 -9.746 26 HD1 TYR 4 HD1 TYR 4 12.634 6.654 -12.251 27 HD2 TYR 4 HD2 TYR 4 13.097 7.796 -8.180 28 HE1 TYR 4 HE1 TYR 4 14.554 5.132 -12.049 29 HE2 TYR 4 HE2 TYR 4 15.018 6.279 -7.968 30 HH TYR 4 HH TYR 4 16.532 4.843 -10.665 31 H GLY 5 HN GLY 5 8.651 8.508 -8.123 32 HA2 GLY 5 HA2 GLY 5 7.077 10.082 -10.062 33 HA3 GLY 5 HA1 GLY 5 6.400 9.329 -8.625 34 H SER 6 HN SER 6 5.954 10.675 -7.058 35 HA SER 6 HA SER 6 5.996 12.416 -5.607 36 HB2 SER 6 HB2 SER 6 8.811 12.931 -6.610 37 HB3 SER 6 HB1 SER 6 8.096 13.568 -5.128 38 HG SER 6 HG SER 6 8.779 10.898 -5.759 39 H ASP 7 HN ASP 7 5.093 12.640 -8.340 40 HA ASP 7 HA ASP 7 5.680 15.411 -9.020 41 HB2 ASP 7 HB2 ASP 7 4.590 14.943 -11.163 42 HB3 ASP 7 HB1 ASP 7 5.842 13.756 -10.828 43 H THR 8 HN THR 8 3.210 15.759 -10.450 44 HA THR 8 HA THR 8 1.765 17.325 -8.811 45 HB THR 8 HB THR 8 -0.196 16.823 -10.389 46 HG1 THR 8 HG1 THR 8 1.486 14.810 -11.030 47 HG21 THR 8 HG21 THR 8 0.928 18.025 -12.227 48 HG22 THR 8 HG22 THR 8 2.483 17.719 -11.453 49 HG23 THR 8 HG23 THR 8 1.280 18.730 -10.650 50 H THR 9 HN THR 9 0.481 17.119 -7.142 51 HA THR 9 HA THR 9 -0.965 14.594 -6.753 52 HB THR 9 HB THR 9 -0.099 16.502 -4.567 53 HG1 THR 9 HG1 THR 9 1.532 15.080 -5.956 54 HG21 THR 9 HG21 THR 9 -1.963 15.072 -3.960 55 HG22 THR 9 HG22 THR 9 -0.507 14.511 -3.134 56 HG23 THR 9 HG23 THR 9 -1.102 13.652 -4.552 57 HA PRO 10 HA PRO 10 -4.462 17.316 -7.192 58 HB2 PRO 10 HB2 PRO 10 -6.192 15.155 -6.357 59 HB3 PRO 10 HB1 PRO 10 -5.949 15.821 -7.974 60 HG2 PRO 10 HG2 PRO 10 -5.153 13.308 -7.206 61 HG3 PRO 10 HG1 PRO 10 -4.450 14.219 -8.551 62 HD2 PRO 10 HD2 PRO 10 -3.416 13.801 -5.791 63 HD3 PRO 10 HD1 PRO 10 -2.544 13.919 -7.335 64 H CYS 11 HN CYS 11 -4.714 18.813 -5.615 65 HA CYS 11 HA CYS 11 -5.873 17.889 -3.078 66 HB2 CYS 11 HB2 CYS 11 -3.414 18.462 -2.851 67 HB3 CYS 11 HB1 CYS 11 -3.836 20.119 -3.266 68 H CYS 12 HN CYS 12 -6.985 19.719 -1.901 69 HA CYS 12 HA CYS 12 -7.756 22.015 -3.413 70 HB2 CYS 12 HB2 CYS 12 -10.171 21.404 -3.551 71 HB3 CYS 12 HB1 CYS 12 -9.130 20.442 -4.596 72 H PHE 13 HN PHE 13 -9.410 23.317 -2.264 73 HA PHE 13 HA PHE 13 -9.992 22.734 0.489 74 HB2 PHE 13 HB2 PHE 13 -8.771 24.785 1.325 75 HB3 PHE 13 HB1 PHE 13 -7.740 23.430 0.886 76 HD1 PHE 13 HD1 PHE 13 -8.717 26.860 0.114 77 HD2 PHE 13 HD2 PHE 13 -6.312 23.566 -1.108 78 HE1 PHE 13 HE1 PHE 13 -7.413 28.355 -1.338 79 HE2 PHE 13 HE2 PHE 13 -5.006 25.058 -2.564 80 HZ PHE 13 HZ PHE 13 -5.555 27.455 -2.679 81 H ALA 14 HN ALA 14 -11.682 23.237 -1.623 82 HA ALA 14 HA ALA 14 -12.542 26.001 -1.141 83 HB1 ALA 14 HB1 ALA 14 -12.798 24.439 -3.705 84 HB2 ALA 14 HB2 ALA 14 -11.626 25.719 -3.390 85 HB3 ALA 14 HB3 ALA 14 -13.351 26.093 -3.429 86 H TYR 15 HN TYR 15 -14.953 26.141 -2.051 87 HA TYR 15 HA TYR 15 -16.509 23.811 -1.350 88 HB2 TYR 15 HB2 TYR 15 -17.830 24.972 0.365 89 HB3 TYR 15 HB1 TYR 15 -16.142 24.862 0.846 90 HD1 TYR 15 HD1 TYR 15 -18.775 27.150 -0.373 91 HD2 TYR 15 HD2 TYR 15 -14.821 26.844 1.172 92 HE1 TYR 15 HE1 TYR 15 -18.732 29.578 -0.022 93 HE2 TYR 15 HE2 TYR 15 -14.771 29.276 1.529 94 HH TYR 15 HH TYR 15 -15.882 31.287 0.644 95 H LEU 16 HN LEU 16 -18.766 24.104 -1.840 96 HA LEU 16 HA LEU 16 -19.427 26.467 -3.421 97 HB2 LEU 16 HB2 LEU 16 -18.773 24.059 -4.614 98 HB3 LEU 16 HB1 LEU 16 -20.519 23.971 -4.498 99 HG LEU 16 HG LEU 16 -18.995 26.208 -5.833 100 HD11 LEU 16 HD11 LEU 16 -20.488 23.882 -7.036 101 HD12 LEU 16 HD12 LEU 16 -18.741 24.123 -7.058 102 HD13 LEU 16 HD13 LEU 16 -19.795 25.233 -7.933 103 HD21 LEU 16 HD21 LEU 16 -21.157 26.920 -4.963 104 HD22 LEU 16 HD22 LEU 16 -21.943 25.577 -5.792 105 HD23 LEU 16 HD23 LEU 16 -21.175 26.861 -6.725 106 H SER 17 HN SER 17 -21.304 27.243 -2.850 107 HA SER 17 HA SER 17 -22.811 25.895 -0.807 108 HB2 SER 17 HB2 SER 17 -23.303 28.519 -2.209 109 HB3 SER 17 HB1 SER 17 -24.139 27.963 -0.754 110 HG SER 17 HG SER 17 -21.327 28.284 -0.953 111 H LEU 18 HN LEU 18 -22.934 26.079 -4.198 112 HA LEU 18 HA LEU 18 -25.680 25.047 -4.208 113 HB2 LEU 18 HB2 LEU 18 -24.102 26.328 -6.449 114 HB3 LEU 18 HB1 LEU 18 -25.666 25.575 -6.657 115 HG LEU 18 HG LEU 18 -26.093 27.869 -6.605 116 HD11 LEU 18 HD11 LEU 18 -27.639 26.611 -5.230 117 HD12 LEU 18 HD12 LEU 18 -27.415 28.246 -4.609 118 HD13 LEU 18 HD13 LEU 18 -26.623 26.886 -3.814 119 HD21 LEU 18 HD21 LEU 18 -23.941 28.641 -5.784 120 HD22 LEU 18 HD22 LEU 18 -24.344 28.087 -4.159 121 HD23 LEU 18 HD23 LEU 18 -25.257 29.406 -4.893 122 H ALA 19 HN ALA 19 -25.188 22.941 -3.740 123 HA ALA 19 HA ALA 19 -23.230 21.525 -5.329 124 HB1 ALA 19 HB1 ALA 19 -23.455 21.015 -2.943 125 HB2 ALA 19 HB2 ALA 19 -23.807 19.599 -3.934 126 HB3 ALA 19 HB3 ALA 19 -25.126 20.515 -3.205 127 H LEU 20 HN LEU 20 -23.661 20.368 -7.088 128 HA LEU 20 HA LEU 20 -26.163 20.506 -8.335 129 HB2 LEU 20 HB2 LEU 20 -25.162 18.725 -9.889 130 HB3 LEU 20 HB1 LEU 20 -24.385 20.290 -9.816 131 HG LEU 20 HG LEU 20 -22.751 19.191 -8.150 132 HD11 LEU 20 HD11 LEU 20 -23.883 16.707 -9.420 133 HD12 LEU 20 HD12 LEU 20 -24.024 17.162 -7.722 134 HD13 LEU 20 HD13 LEU 20 -22.442 16.790 -8.407 135 HD21 LEU 20 HD21 LEU 20 -21.372 18.338 -9.981 136 HD22 LEU 20 HD22 LEU 20 -22.135 19.874 -10.393 137 HD23 LEU 20 HD23 LEU 20 -22.777 18.366 -11.047 138 HA PRO 21 HA PRO 21 -28.755 17.502 -6.523 139 HB2 PRO 21 HB2 PRO 21 -29.701 16.349 -8.921 140 HB3 PRO 21 HB1 PRO 21 -30.434 17.679 -8.023 141 HG2 PRO 21 HG2 PRO 21 -28.651 17.752 -10.401 142 HG3 PRO 21 HG1 PRO 21 -29.973 18.843 -9.951 143 HD2 PRO 21 HD2 PRO 21 -27.420 19.576 -9.692 144 HD3 PRO 21 HD1 PRO 21 -28.636 20.052 -8.487 145 H ARG 22 HN ARG 22 -29.030 15.306 -6.141 146 HA ARG 22 HA ARG 22 -26.721 13.748 -6.160 147 HB2 ARG 22 HB2 ARG 22 -29.607 13.043 -5.714 148 HB3 ARG 22 HB1 ARG 22 -28.315 11.864 -5.553 149 HG2 ARG 22 HG2 ARG 22 -27.332 13.076 -3.751 150 HG3 ARG 22 HG1 ARG 22 -28.418 14.441 -4.007 151 HD2 ARG 22 HD2 ARG 22 -29.381 11.681 -3.308 152 HD3 ARG 22 HD1 ARG 22 -28.999 12.902 -2.096 153 HE ARG 22 HE ARG 22 -30.735 14.119 -3.832 154 HH11 ARG 22 HH11 ARG 22 -30.862 11.214 -1.874 155 HH12 ARG 22 HH12 ARG 22 -32.543 11.381 -1.503 156 HH21 ARG 22 HH21 ARG 22 -32.977 14.335 -3.339 157 HH22 ARG 22 HH22 ARG 22 -33.741 13.146 -2.342 158 H ALA 23 HN ALA 23 -29.279 13.963 -8.503 159 HA ALA 23 HA ALA 23 -28.661 11.545 -9.875 160 HB1 ALA 23 HB1 ALA 23 -30.108 13.981 -10.907 161 HB2 ALA 23 HB2 ALA 23 -30.856 12.647 -10.028 162 HB3 ALA 23 HB3 ALA 23 -30.140 12.365 -11.614 163 H HIS 24 HN HIS 24 -27.141 14.587 -9.755 164 HA HIS 24 HA HIS 24 -25.866 14.248 -12.352 165 HB2 HIS 24 HB2 HIS 24 -26.024 16.494 -10.374 166 HB3 HIS 24 HB1 HIS 24 -24.772 16.482 -11.607 167 HD1 HIS 24 HD1 HIS 24 -25.466 18.026 -13.431 168 HD2 HIS 24 HD2 HIS 24 -28.685 15.873 -11.912 169 HE1 HIS 24 HE1 HIS 24 -27.451 18.743 -14.781 170 H VAL 25 HN VAL 25 -25.292 13.808 -8.987 171 HA VAL 25 HA VAL 25 -22.413 13.605 -9.379 172 HB VAL 25 HB VAL 25 -23.621 14.634 -7.277 173 HG11 VAL 25 HG11 VAL 25 -25.003 12.682 -6.757 174 HG12 VAL 25 HG12 VAL 25 -23.919 13.092 -5.424 175 HG13 VAL 25 HG13 VAL 25 -23.542 11.730 -6.476 176 HG21 VAL 25 HG21 VAL 25 -21.706 14.071 -5.876 177 HG22 VAL 25 HG22 VAL 25 -21.210 14.458 -7.525 178 HG23 VAL 25 HG23 VAL 25 -21.265 12.777 -6.991 179 H LYS 26 HN LYS 26 -21.274 11.662 -8.742 180 HA LYS 26 HA LYS 26 -22.940 9.259 -9.054 181 HB2 LYS 26 HB2 LYS 26 -21.399 9.823 -10.987 182 HB3 LYS 26 HB1 LYS 26 -20.054 9.531 -9.897 183 HG2 LYS 26 HG2 LYS 26 -20.720 7.225 -9.624 184 HG3 LYS 26 HG1 LYS 26 -22.160 7.497 -10.605 185 HD2 LYS 26 HD2 LYS 26 -20.528 6.442 -11.997 186 HD3 LYS 26 HD1 LYS 26 -20.647 8.127 -12.502 187 HE2 LYS 26 HE2 LYS 26 -18.331 7.513 -12.439 188 HE3 LYS 26 HE1 LYS 26 -18.647 8.626 -11.111 189 HZ1 LYS 26 HZ1 LYS 26 -18.781 6.699 -9.609 190 HZ2 LYS 26 HZ2 LYS 26 -17.281 6.776 -10.363 191 HZ3 LYS 26 HZ3 LYS 26 -18.431 5.665 -10.894 192 H GLU 27 HN GLU 27 -19.976 10.592 -7.626 193 HA GLU 27 HA GLU 27 -20.409 9.008 -5.252 194 HB2 GLU 27 HB2 GLU 27 -18.257 7.875 -5.308 195 HB3 GLU 27 HB1 GLU 27 -19.187 7.450 -6.740 196 HG2 GLU 27 HG2 GLU 27 -17.916 9.034 -8.058 197 HG3 GLU 27 HG1 GLU 27 -17.000 9.507 -6.626 198 H TYR 28 HN TYR 28 -18.479 9.390 -3.713 199 HA TYR 28 HA TYR 28 -17.299 12.040 -4.084 200 HB2 TYR 28 HB2 TYR 28 -17.804 12.728 -1.851 201 HB3 TYR 28 HB1 TYR 28 -19.312 12.104 -2.504 202 HD1 TYR 28 HD1 TYR 28 -16.672 11.632 -0.026 203 HD2 TYR 28 HD2 TYR 28 -20.229 9.963 -1.658 204 HE1 TYR 28 HE1 TYR 28 -16.851 10.123 1.910 205 HE2 TYR 28 HE2 TYR 28 -20.415 8.453 0.267 206 HH TYR 28 HH TYR 28 -19.138 7.514 2.004 207 H PHE 29 HN PHE 29 -15.295 12.300 -2.917 208 HA PHE 29 HA PHE 29 -14.132 9.883 -1.781 209 HB2 PHE 29 HB2 PHE 29 -13.736 9.892 -4.299 210 HB3 PHE 29 HB1 PHE 29 -12.758 11.332 -4.056 211 HD1 PHE 29 HD1 PHE 29 -13.059 7.944 -2.504 212 HD2 PHE 29 HD2 PHE 29 -10.500 10.963 -4.068 213 HE1 PHE 29 HE1 PHE 29 -11.108 6.514 -2.058 214 HE2 PHE 29 HE2 PHE 29 -8.543 9.540 -3.623 215 HZ PHE 29 HZ PHE 29 -8.846 7.312 -2.617 216 H TYR 30 HN TYR 30 -11.988 10.382 -0.783 217 HA TYR 30 HA TYR 30 -12.103 13.056 0.384 218 HB2 TYR 30 HB2 TYR 30 -10.480 10.638 1.208 219 HB3 TYR 30 HB1 TYR 30 -10.576 12.158 2.090 220 HD1 TYR 30 HD1 TYR 30 -12.315 9.054 1.242 221 HD2 TYR 30 HD2 TYR 30 -12.590 12.742 3.344 222 HE1 TYR 30 HE1 TYR 30 -14.261 8.200 2.472 223 HE2 TYR 30 HE2 TYR 30 -14.539 11.895 4.584 224 HH TYR 30 HH TYR 30 -16.313 10.175 4.273 225 H THR 31 HN THR 31 -10.203 14.356 0.581 226 HA THR 31 HA THR 31 -8.698 14.560 -1.760 227 HB THR 31 HB THR 31 -7.219 16.111 -0.328 228 HG1 THR 31 HG1 THR 31 -8.090 16.670 1.672 229 HG21 THR 31 HG21 THR 31 -8.905 17.842 -0.352 230 HG22 THR 31 HG22 THR 31 -10.177 16.626 -0.499 231 HG23 THR 31 HG23 THR 31 -9.020 16.856 -1.809 232 H SER 32 HN SER 32 -6.341 14.538 -1.961 233 HA SER 32 HA SER 32 -5.265 12.011 -1.546 234 HB2 SER 32 HB2 SER 32 -3.853 14.624 -2.097 235 HB3 SER 32 HB1 SER 32 -3.154 13.023 -2.323 236 HG SER 32 HG SER 32 -4.870 14.429 -3.912 237 H SER 33 HN SER 33 -3.311 11.421 -0.331 238 HA SER 33 HA SER 33 -3.584 12.058 2.418 239 HB2 SER 33 HB2 SER 33 -1.325 10.581 1.059 240 HB3 SER 33 HB1 SER 33 -1.782 10.487 2.759 241 HG SER 33 HG SER 33 -3.812 9.613 2.064 242 H LYS 34 HN LYS 34 -1.853 13.512 -0.118 243 HA LYS 34 HA LYS 34 0.187 14.703 1.552 244 HB2 LYS 34 HB2 LYS 34 -0.612 15.188 -1.317 245 HB3 LYS 34 HB1 LYS 34 0.719 16.008 -0.521 246 HG2 LYS 34 HG2 LYS 34 0.540 13.022 -0.869 247 HG3 LYS 34 HG1 LYS 34 1.414 14.105 -1.954 248 HD2 LYS 34 HD2 LYS 34 2.797 14.847 -0.043 249 HD3 LYS 34 HD1 LYS 34 1.956 13.689 0.988 250 HE2 LYS 34 HE2 LYS 34 2.771 11.850 -0.363 251 HE3 LYS 34 HE1 LYS 34 3.537 12.977 -1.480 252 HZ1 LYS 34 HZ1 LYS 34 5.114 12.026 0.095 253 HZ2 LYS 34 HZ2 LYS 34 4.241 12.670 1.386 254 HZ3 LYS 34 HZ3 LYS 34 4.998 13.701 0.283 255 H CYS 35 HN CYS 35 -3.050 15.311 0.773 256 HA CYS 35 HA CYS 35 -2.977 18.158 0.912 257 HB2 CYS 35 HB2 CYS 35 -5.316 16.279 1.245 258 HB3 CYS 35 HB1 CYS 35 -5.410 18.012 0.955 259 H SER 36 HN SER 36 -2.820 19.337 2.655 260 HA SER 36 HA SER 36 -2.977 18.138 5.270 261 HB2 SER 36 HB2 SER 36 -2.553 21.040 4.520 262 HB3 SER 36 HB1 SER 36 -2.194 20.286 6.075 263 HG SER 36 HG SER 36 -1.009 18.999 3.971 264 H ASN 37 HN ASN 37 -5.021 19.853 3.136 265 HA ASN 37 HA ASN 37 -6.925 20.496 5.252 266 HB2 ASN 37 HB2 ASN 37 -6.543 22.341 3.749 267 HB3 ASN 37 HB1 ASN 37 -6.804 21.315 2.343 268 HD21 ASN 37 HD21 ASN 37 -8.863 20.877 1.674 269 HD22 ASN 37 HD22 ASN 37 -10.266 21.613 2.364 270 H LEU 38 HN LEU 38 -8.626 19.251 5.612 271 HA LEU 38 HA LEU 38 -9.067 16.964 3.940 272 HB2 LEU 38 HB2 LEU 38 -9.299 16.774 6.364 273 HB3 LEU 38 HB1 LEU 38 -10.594 17.957 6.345 274 HG LEU 38 HG LEU 38 -11.950 16.395 4.968 275 HD11 LEU 38 HD11 LEU 38 -9.693 14.475 5.513 276 HD12 LEU 38 HD12 LEU 38 -10.188 15.104 3.940 277 HD13 LEU 38 HD13 LEU 38 -11.266 14.041 4.843 278 HD21 LEU 38 HD21 LEU 38 -12.468 14.847 6.792 279 HD22 LEU 38 HD22 LEU 38 -12.271 16.504 7.363 280 HD23 LEU 38 HD23 LEU 38 -10.981 15.326 7.611 281 H ALA 39 HN ALA 39 -10.368 16.861 2.299 282 HA ALA 39 HA ALA 39 -12.783 18.440 2.174 283 HB1 ALA 39 HB1 ALA 39 -12.252 19.341 -0.052 284 HB2 ALA 39 HB2 ALA 39 -10.627 18.663 0.071 285 HB3 ALA 39 HB3 ALA 39 -11.133 19.942 1.174 286 H VAL 40 HN VAL 40 -14.088 17.739 0.279 287 HA VAL 40 HA VAL 40 -13.376 14.994 -0.438 288 HB VAL 40 HB VAL 40 -15.780 14.454 -0.574 289 HG11 VAL 40 HG11 VAL 40 -14.874 15.485 2.103 290 HG12 VAL 40 HG12 VAL 40 -14.540 13.888 1.427 291 HG13 VAL 40 HG13 VAL 40 -16.194 14.346 1.836 292 HG21 VAL 40 HG21 VAL 40 -17.413 15.931 0.450 293 HG22 VAL 40 HG22 VAL 40 -16.636 16.691 -0.942 294 HG23 VAL 40 HG23 VAL 40 -16.162 17.151 0.697 295 H VAL 41 HN VAL 41 -13.852 14.309 -2.440 296 HA VAL 41 HA VAL 41 -14.256 16.430 -4.424 297 HB VAL 41 HB VAL 41 -12.812 13.793 -4.762 298 HG11 VAL 41 HG11 VAL 41 -13.781 14.616 -6.825 299 HG12 VAL 41 HG12 VAL 41 -12.023 14.758 -6.870 300 HG13 VAL 41 HG13 VAL 41 -13.017 16.186 -6.579 301 HG21 VAL 41 HG21 VAL 41 -10.746 15.117 -4.799 302 HG22 VAL 41 HG22 VAL 41 -11.577 15.244 -3.248 303 HG23 VAL 41 HG23 VAL 41 -11.675 16.566 -4.412 304 H PHE 42 HN PHE 42 -16.122 16.313 -5.444 305 HA PHE 42 HA PHE 42 -17.606 13.799 -5.402 306 HB2 PHE 42 HB2 PHE 42 -18.423 16.628 -6.017 307 HB3 PHE 42 HB1 PHE 42 -19.483 15.253 -6.295 308 HD1 PHE 42 HD1 PHE 42 -18.018 17.469 -3.849 309 HD2 PHE 42 HD2 PHE 42 -20.284 13.910 -4.390 310 HE1 PHE 42 HE1 PHE 42 -18.728 17.567 -1.502 311 HE2 PHE 42 HE2 PHE 42 -21.010 14.007 -2.045 312 HZ PHE 42 HZ PHE 42 -20.239 15.834 -0.598 313 H VAL 43 HN VAL 43 -17.685 12.543 -7.063 314 HA VAL 43 HA VAL 43 -16.711 13.526 -9.641 315 HB VAL 43 HB VAL 43 -17.233 10.681 -8.748 316 HG11 VAL 43 HG11 VAL 43 -17.380 10.955 -11.159 317 HG12 VAL 43 HG12 VAL 43 -15.940 10.037 -10.718 318 HG13 VAL 43 HG13 VAL 43 -15.797 11.735 -11.179 319 HG21 VAL 43 HG21 VAL 43 -14.793 10.464 -8.577 320 HG22 VAL 43 HG22 VAL 43 -15.424 11.664 -7.450 321 HG23 VAL 43 HG23 VAL 43 -14.622 12.183 -8.931 322 H THR 44 HN THR 44 -18.172 14.083 -11.084 323 HA THR 44 HA THR 44 -20.955 13.513 -10.712 324 HB THR 44 HB THR 44 -21.264 14.774 -12.822 325 HG1 THR 44 HG1 THR 44 -18.485 15.254 -12.804 326 HG21 THR 44 HG21 THR 44 -21.077 15.990 -10.692 327 HG22 THR 44 HG22 THR 44 -20.384 16.916 -12.024 328 HG23 THR 44 HG23 THR 44 -19.326 16.066 -10.897 329 H ARG 45 HN ARG 45 -22.179 12.910 -12.863 330 HA ARG 45 HA ARG 45 -21.526 10.202 -13.419 331 HB2 ARG 45 HB2 ARG 45 -23.534 12.031 -14.746 332 HB3 ARG 45 HB1 ARG 45 -23.460 10.290 -14.961 333 HG2 ARG 45 HG2 ARG 45 -23.933 11.635 -12.313 334 HG3 ARG 45 HG1 ARG 45 -25.217 11.073 -13.384 335 HD2 ARG 45 HD2 ARG 45 -24.372 8.800 -13.229 336 HD3 ARG 45 HD1 ARG 45 -23.040 9.345 -12.214 337 HE ARG 45 HE ARG 45 -24.771 10.003 -10.562 338 HH11 ARG 45 HH11 ARG 45 -25.517 7.548 -12.970 339 HH12 ARG 45 HH12 ARG 45 -26.726 6.791 -11.996 340 HH21 ARG 45 HH21 ARG 45 -26.369 8.984 -9.277 341 HH22 ARG 45 HH22 ARG 45 -27.217 7.610 -9.892 342 H ARG 46 HN ARG 46 -20.417 13.064 -14.706 343 HA ARG 46 HA ARG 46 -19.756 11.854 -17.303 344 HB2 ARG 46 HB2 ARG 46 -19.678 14.743 -16.423 345 HB3 ARG 46 HB1 ARG 46 -19.257 14.159 -18.027 346 HG2 ARG 46 HG2 ARG 46 -21.514 13.434 -18.411 347 HG3 ARG 46 HG1 ARG 46 -21.963 13.845 -16.754 348 HD2 ARG 46 HD2 ARG 46 -21.429 16.191 -17.212 349 HD3 ARG 46 HD1 ARG 46 -21.032 15.767 -18.877 350 HE ARG 46 HE ARG 46 -23.495 14.866 -18.788 351 HH11 ARG 46 HH11 ARG 46 -22.238 17.849 -17.459 352 HH12 ARG 46 HH12 ARG 46 -23.733 18.700 -17.611 353 HH21 ARG 46 HH21 ARG 46 -25.479 15.991 -18.999 354 HH22 ARG 46 HH22 ARG 46 -25.582 17.645 -18.495 355 H ASN 47 HN ASN 47 -18.495 11.723 -14.472 356 HA ASN 47 HA ASN 47 -16.445 11.366 -13.616 357 HB2 ASN 47 HB2 ASN 47 -15.657 11.456 -16.522 358 HB3 ASN 47 HB1 ASN 47 -14.472 11.215 -15.243 359 HD21 ASN 47 HD21 ASN 47 -17.123 9.846 -16.984 360 HD22 ASN 47 HD22 ASN 47 -16.965 8.240 -16.370 361 H ARG 48 HN ARG 48 -17.537 14.160 -14.268 362 HA ARG 48 HA ARG 48 -15.014 15.640 -14.127 363 HB2 ARG 48 HB2 ARG 48 -16.941 16.522 -15.497 364 HB3 ARG 48 HB1 ARG 48 -17.825 16.757 -13.995 365 HG2 ARG 48 HG2 ARG 48 -16.133 18.311 -13.210 366 HG3 ARG 48 HG1 ARG 48 -15.194 18.051 -14.679 367 HD2 ARG 48 HD2 ARG 48 -17.248 18.850 -15.942 368 HD3 ARG 48 HD1 ARG 48 -17.864 19.391 -14.379 369 HE ARG 48 HE ARG 48 -15.569 20.607 -14.315 370 HH11 ARG 48 HH11 ARG 48 -17.733 20.264 -17.056 371 HH12 ARG 48 HH12 ARG 48 -17.095 21.628 -17.910 372 HH21 ARG 48 HH21 ARG 48 -14.721 22.434 -15.440 373 HH22 ARG 48 HH22 ARG 48 -15.372 22.866 -16.983 374 H GLN 49 HN GLN 49 -14.226 16.486 -12.249 375 HA GLN 49 HA GLN 49 -15.729 15.676 -9.870 376 HB2 GLN 49 HB2 GLN 49 -12.817 16.389 -9.962 377 HB3 GLN 49 HB1 GLN 49 -13.691 15.529 -8.708 378 HG2 GLN 49 HG2 GLN 49 -14.033 13.652 -10.250 379 HG3 GLN 49 HG1 GLN 49 -13.094 14.509 -11.471 380 HE21 GLN 49 HE21 GLN 49 -11.391 15.619 -9.297 381 HE22 GLN 49 HE22 GLN 49 -10.291 14.339 -8.912 382 H VAL 50 HN VAL 50 -15.432 16.982 -7.962 383 HA VAL 50 HA VAL 50 -14.743 19.771 -8.283 384 HB VAL 50 HB VAL 50 -17.173 19.571 -8.919 385 HG11 VAL 50 HG11 VAL 50 -17.757 17.733 -7.511 386 HG12 VAL 50 HG12 VAL 50 -18.810 19.117 -7.185 387 HG13 VAL 50 HG13 VAL 50 -17.495 18.716 -6.072 388 HG21 VAL 50 HG21 VAL 50 -16.588 21.114 -6.398 389 HG22 VAL 50 HG22 VAL 50 -17.935 21.419 -7.498 390 HG23 VAL 50 HG23 VAL 50 -16.273 21.659 -8.044 391 H CYS 51 HN CYS 51 -14.385 20.759 -6.188 392 HA CYS 51 HA CYS 51 -14.156 18.752 -4.053 393 HB2 CYS 51 HB2 CYS 51 -12.394 21.114 -4.649 394 HB3 CYS 51 HB1 CYS 51 -12.248 20.087 -3.227 395 H ALA 52 HN ALA 52 -14.694 19.283 -1.988 396 HA ALA 52 HA ALA 52 -15.435 21.980 -1.297 397 HB1 ALA 52 HB1 ALA 52 -17.724 21.449 -0.661 398 HB2 ALA 52 HB2 ALA 52 -17.519 19.799 -1.250 399 HB3 ALA 52 HB3 ALA 52 -17.477 21.153 -2.383 400 H ASN 53 HN ASN 53 -15.757 22.253 0.962 401 HA ASN 53 HA ASN 53 -14.216 20.415 2.544 402 HB2 ASN 53 HB2 ASN 53 -15.833 22.733 3.621 403 HB3 ASN 53 HB1 ASN 53 -14.393 22.002 4.316 404 HD21 ASN 53 HD21 ASN 53 -12.349 22.428 3.306 405 HD22 ASN 53 HD22 ASN 53 -12.146 23.843 2.335 406 HA PRO 54 HA PRO 54 -17.604 17.919 3.893 407 HB2 PRO 54 HB2 PRO 54 -16.541 16.751 6.043 408 HB3 PRO 54 HB1 PRO 54 -15.930 16.414 4.417 409 HG2 PRO 54 HG2 PRO 54 -14.856 18.311 6.477 410 HG3 PRO 54 HG1 PRO 54 -13.973 17.105 5.518 411 HD2 PRO 54 HD2 PRO 54 -14.037 19.722 4.840 412 HD3 PRO 54 HD1 PRO 54 -13.985 18.428 3.625 413 H GLU 55 HN GLU 55 -16.867 20.730 5.339 414 HA GLU 55 HA GLU 55 -18.508 20.295 7.703 415 HB2 GLU 55 HB2 GLU 55 -16.904 22.676 6.781 416 HB3 GLU 55 HB1 GLU 55 -17.917 22.684 8.218 417 HG2 GLU 55 HG2 GLU 55 -16.573 20.850 9.148 418 HG3 GLU 55 HG1 GLU 55 -15.537 20.913 7.723 419 H LYS 56 HN LYS 56 -19.039 20.923 4.556 420 HA LYS 56 HA LYS 56 -21.110 22.908 4.882 421 HB2 LYS 56 HB2 LYS 56 -19.975 21.407 2.552 422 HB3 LYS 56 HB1 LYS 56 -21.523 22.224 2.397 423 HG2 LYS 56 HG2 LYS 56 -18.993 23.596 3.275 424 HG3 LYS 56 HG1 LYS 56 -19.553 23.532 1.602 425 HD2 LYS 56 HD2 LYS 56 -21.650 24.625 2.276 426 HD3 LYS 56 HD1 LYS 56 -21.060 24.718 3.935 427 HE2 LYS 56 HE2 LYS 56 -19.704 25.987 1.563 428 HE3 LYS 56 HE1 LYS 56 -20.810 26.827 2.648 429 HZ1 LYS 56 HZ1 LYS 56 -19.296 26.324 4.478 430 HZ2 LYS 56 HZ2 LYS 56 -18.550 27.252 3.293 431 HZ3 LYS 56 HZ3 LYS 56 -18.212 25.596 3.411 432 H LYS 57 HN LYS 57 -23.220 22.550 5.010 433 HA LYS 57 HA LYS 57 -24.194 20.125 5.978 434 HB2 LYS 57 HB2 LYS 57 -25.267 22.293 6.393 435 HB3 LYS 57 HB1 LYS 57 -25.704 22.410 4.696 436 HG2 LYS 57 HG2 LYS 57 -27.621 21.754 5.982 437 HG3 LYS 57 HG1 LYS 57 -27.121 20.410 4.953 438 HD2 LYS 57 HD2 LYS 57 -26.016 19.349 6.837 439 HD3 LYS 57 HD1 LYS 57 -26.427 20.719 7.872 440 HE2 LYS 57 HE2 LYS 57 -28.808 20.247 7.523 441 HE3 LYS 57 HE1 LYS 57 -28.378 18.866 6.515 442 HZ1 LYS 57 HZ1 LYS 57 -27.312 17.848 8.413 443 HZ2 LYS 57 HZ2 LYS 57 -28.921 18.202 8.770 444 HZ3 LYS 57 HZ3 LYS 57 -27.689 19.176 9.386 445 H TRP 58 HN TRP 58 -24.355 21.539 2.757 446 HA TRP 58 HA TRP 58 -26.025 19.568 1.624 447 HB2 TRP 58 HB2 TRP 58 -24.054 21.457 0.341 448 HB3 TRP 58 HB1 TRP 58 -25.149 20.419 -0.567 449 HD1 TRP 58 HD1 TRP 58 -24.954 23.785 0.915 450 HE1 TRP 58 HE1 TRP 58 -27.272 24.903 0.920 451 HE3 TRP 58 HE3 TRP 58 -27.829 19.692 -0.118 452 HZ2 TRP 58 HZ2 TRP 58 -29.965 24.144 0.541 453 HZ3 TRP 58 HZ3 TRP 58 -30.265 19.971 -0.279 454 HH2 TRP 58 HH2 TRP 58 -31.311 22.152 0.046 455 H VAL 59 HN VAL 59 -22.577 19.825 2.021 456 HA VAL 59 HA VAL 59 -21.859 17.699 0.310 457 HB VAL 59 HB VAL 59 -20.461 18.905 2.714 458 HG11 VAL 59 HG11 VAL 59 -18.441 17.736 2.008 459 HG12 VAL 59 HG12 VAL 59 -19.348 16.919 0.741 460 HG13 VAL 59 HG13 VAL 59 -19.715 16.593 2.435 461 HG21 VAL 59 HG21 VAL 59 -19.013 19.935 1.034 462 HG22 VAL 59 HG22 VAL 59 -20.702 20.381 0.784 463 HG23 VAL 59 HG23 VAL 59 -19.950 19.164 -0.246 464 H GLN 60 HN GLN 60 -22.667 17.922 3.698 465 HA GLN 60 HA GLN 60 -22.138 15.216 4.325 466 HB2 GLN 60 HB2 GLN 60 -23.935 17.212 5.705 467 HB3 GLN 60 HB1 GLN 60 -23.399 15.682 6.388 468 HG2 GLN 60 HG2 GLN 60 -21.563 17.904 5.552 469 HG3 GLN 60 HG1 GLN 60 -22.136 17.658 7.195 470 HE21 GLN 60 HE21 GLN 60 -20.097 16.469 4.661 471 HE22 GLN 60 HE22 GLN 60 -19.186 15.364 5.629 472 H GLU 61 HN GLU 61 -25.016 17.003 3.348 473 HA GLU 61 HA GLU 61 -26.841 14.892 3.648 474 HB2 GLU 61 HB2 GLU 61 -26.873 17.249 1.766 475 HB3 GLU 61 HB1 GLU 61 -28.242 16.185 2.059 476 HG2 GLU 61 HG2 GLU 61 -26.881 17.773 4.205 477 HG3 GLU 61 HG1 GLU 61 -28.270 18.352 3.295 478 H TYR 62 HN TYR 62 -24.957 16.021 0.887 479 HA TYR 62 HA TYR 62 -26.052 14.091 -0.891 480 HB2 TYR 62 HB2 TYR 62 -23.712 15.954 -1.047 481 HB3 TYR 62 HB1 TYR 62 -23.918 14.698 -2.266 482 HD1 TYR 62 HD1 TYR 62 -25.564 17.642 -0.725 483 HD2 TYR 62 HD2 TYR 62 -25.495 14.935 -3.995 484 HE1 TYR 62 HE1 TYR 62 -27.189 19.049 -1.912 485 HE2 TYR 62 HE2 TYR 62 -27.120 16.335 -5.189 486 HH TYR 62 HH TYR 62 -27.909 19.486 -4.218 487 H ILE 63 HN ILE 63 -23.204 14.166 1.144 488 HA ILE 63 HA ILE 63 -22.089 11.745 0.215 489 HB ILE 63 HB ILE 63 -21.855 13.247 2.815 490 HG12 ILE 63 HG12 ILE 63 -19.842 12.556 0.664 491 HG13 ILE 63 HG11 ILE 63 -20.665 14.102 0.840 492 HG21 ILE 63 HG21 ILE 63 -20.520 10.612 2.202 493 HG22 ILE 63 HG22 ILE 63 -21.748 10.902 3.435 494 HG23 ILE 63 HG23 ILE 63 -20.157 11.651 3.582 495 HD11 ILE 63 HD11 ILE 63 -19.577 14.426 3.003 496 HD12 ILE 63 HD12 ILE 63 -18.406 14.218 1.702 497 HD13 ILE 63 HD13 ILE 63 -18.741 12.886 2.809 498 H ASN 64 HN ASN 64 -24.300 12.459 2.874 499 HA ASN 64 HA ASN 64 -24.526 9.786 3.759 500 HB2 ASN 64 HB2 ASN 64 -25.454 10.866 5.492 501 HB3 ASN 64 HB1 ASN 64 -25.514 12.348 4.555 502 HD21 ASN 64 HD21 ASN 64 -27.415 12.916 3.528 503 HD22 ASN 64 HD22 ASN 64 -28.939 12.215 3.945 504 H TYR 65 HN TYR 65 -26.232 11.609 1.346 505 HA TYR 65 HA TYR 65 -28.267 9.605 1.053 506 HB2 TYR 65 HB2 TYR 65 -27.613 12.104 -0.465 507 HB3 TYR 65 HB1 TYR 65 -28.796 10.956 -1.073 508 HD1 TYR 65 HD1 TYR 65 -28.654 13.966 0.381 509 HD2 TYR 65 HD2 TYR 65 -30.347 10.150 1.175 510 HE1 TYR 65 HE1 TYR 65 -30.376 15.028 1.765 511 HE2 TYR 65 HE2 TYR 65 -32.076 11.202 2.565 512 HH TYR 65 HH TYR 65 -32.600 14.593 2.594 513 H LEU 66 HN LEU 66 -25.301 10.473 -0.694 514 HA LEU 66 HA LEU 66 -25.951 8.518 -2.717 515 HB2 LEU 66 HB2 LEU 66 -24.250 9.354 -3.985 516 HB3 LEU 66 HB1 LEU 66 -24.625 10.743 -2.995 517 HG LEU 66 HG LEU 66 -22.651 9.831 -1.510 518 HD11 LEU 66 HD11 LEU 66 -22.119 8.610 -4.216 519 HD12 LEU 66 HD12 LEU 66 -22.243 7.771 -2.671 520 HD13 LEU 66 HD13 LEU 66 -20.880 8.841 -2.986 521 HD21 LEU 66 HD21 LEU 66 -21.122 11.250 -2.814 522 HD22 LEU 66 HD22 LEU 66 -22.705 11.997 -2.620 523 HD23 LEU 66 HD23 LEU 66 -22.269 11.241 -4.151 524 H GLU 67 HN GLU 67 -24.180 8.540 0.242 525 HA GLU 67 HA GLU 67 -22.662 6.194 -0.299 526 HB2 GLU 67 HB2 GLU 67 -22.168 6.104 2.043 527 HB3 GLU 67 HB1 GLU 67 -22.173 7.798 1.579 528 HG2 GLU 67 HG2 GLU 67 -24.368 8.089 2.547 529 HG3 GLU 67 HG1 GLU 67 -24.446 6.376 2.946 530 H MET 68 HN MET 68 -25.924 6.794 0.697 531 HA MET 68 HA MET 68 -26.391 3.967 1.220 532 HB2 MET 68 HB2 MET 68 -28.648 4.623 1.900 533 HB3 MET 68 HB1 MET 68 -27.437 5.548 2.770 534 HG2 MET 68 HG2 MET 68 -27.846 7.476 1.366 535 HG3 MET 68 HG1 MET 68 -28.967 6.539 0.376 536 HE1 MET 68 HE1 MET 68 -31.961 5.951 2.811 537 HE2 MET 68 HE2 MET 68 -30.599 4.863 2.553 538 HE3 MET 68 HE3 MET 68 -31.325 5.704 1.184 539 H SER 69 HN SER 69 -26.867 6.328 -1.216 540 HA SER 69 HA SER 69 -27.660 4.288 -3.063 541 HB2 SER 69 HB2 SER 69 -29.521 6.429 -2.135 542 HB3 SER 69 HB1 SER 69 -29.724 5.678 -3.728 543 HG SER 69 HG SER 69 -29.407 3.742 -1.959 544 H1 MET 1 HT1 MET 1 -16.600 26.711 -20.529 545 HA MET 1 HA MET 1 -16.339 24.411 -21.133 546 HB2 MET 1 HB2 MET 1 -13.418 24.948 -20.559 547 HB3 MET 1 HB1 MET 1 -14.116 23.348 -20.759 548 HG2 MET 1 HG2 MET 1 -14.738 23.895 -23.049 549 HG3 MET 1 HG1 MET 1 -14.067 25.511 -22.849 550 HE1 MET 1 HE1 MET 1 -12.626 22.063 -21.524 551 HE2 MET 1 HE2 MET 1 -11.570 21.623 -22.865 552 HE3 MET 1 HE3 MET 1 -13.316 21.683 -23.102 553 H SER 2 HN SER 2 -15.330 26.526 -18.632 554 HA SER 2 HA SER 2 -16.155 24.510 -16.677 555 HB2 SER 2 HB2 SER 2 -13.827 26.411 -16.354 556 HB3 SER 2 HB1 SER 2 -14.425 25.297 -15.124 557 HG SER 2 HG SER 2 -12.595 24.749 -16.804 558 HA PRO 3 HA PRO 3 -18.738 28.201 -15.820 559 HB2 PRO 3 HB2 PRO 3 -20.621 26.154 -14.872 560 HB3 PRO 3 HB1 PRO 3 -20.863 27.385 -16.113 561 HG2 PRO 3 HG2 PRO 3 -20.666 24.755 -16.707 562 HG3 PRO 3 HG1 PRO 3 -20.093 26.023 -17.803 563 HD2 PRO 3 HD2 PRO 3 -18.533 24.280 -15.938 564 HD3 PRO 3 HD1 PRO 3 -18.142 24.798 -17.593 565 H TYR 4 HN TYR 4 -18.123 25.232 -14.106 566 HA TYR 4 HA TYR 4 -17.617 26.697 -11.640 567 HB2 TYR 4 HB2 TYR 4 -19.240 24.135 -11.830 568 HB3 TYR 4 HB1 TYR 4 -18.722 24.900 -10.333 569 HD1 TYR 4 HD1 TYR 4 -21.158 24.910 -13.018 570 HD2 TYR 4 HD2 TYR 4 -19.700 27.090 -9.668 571 HE1 TYR 4 HE1 TYR 4 -23.206 26.268 -13.019 572 HE2 TYR 4 HE2 TYR 4 -21.745 28.450 -9.658 573 HH TYR 4 HH TYR 4 -24.509 27.641 -11.489 574 H GLY 5 HN GLY 5 -16.089 25.569 -10.286 575 HA2 GLY 5 HA2 GLY 5 -14.886 23.148 -11.234 576 HA3 GLY 5 HA1 GLY 5 -13.906 24.570 -11.563 577 H SER 6 HN SER 6 -12.417 24.963 -10.112 578 HA SER 6 HA SER 6 -11.267 25.080 -8.166 579 HB2 SER 6 HB2 SER 6 -13.996 24.985 -6.857 580 HB3 SER 6 HB1 SER 6 -12.501 25.580 -6.128 581 HG SER 6 HG SER 6 -12.947 26.778 -8.496 582 H ASP 7 HN ASP 7 -11.882 22.560 -9.393 583 HA ASP 7 HA ASP 7 -12.305 20.675 -7.241 584 HB2 ASP 7 HB2 ASP 7 -12.294 18.971 -8.951 585 HB3 ASP 7 HB1 ASP 7 -13.279 20.315 -9.509 586 H THR 8 HN THR 8 -10.680 18.618 -8.093 587 HA THR 8 HA THR 8 -8.451 18.761 -6.591 588 HB THR 8 HB THR 8 -7.550 16.975 -8.258 589 HG1 THR 8 HG1 THR 8 -9.502 17.952 -9.698 590 HG21 THR 8 HG21 THR 8 -9.088 15.321 -7.322 591 HG22 THR 8 HG22 THR 8 -10.205 16.604 -6.863 592 HG23 THR 8 HG23 THR 8 -8.623 16.492 -6.086 593 H THR 9 HN THR 9 -7.028 20.367 -6.650 594 HA THR 9 HA THR 9 -5.972 21.316 -9.192 595 HB THR 9 HB THR 9 -5.578 22.361 -6.374 596 HG1 THR 9 HG1 THR 9 -7.757 22.461 -7.518 597 HG21 THR 9 HG21 THR 9 -3.740 23.000 -7.863 598 HG22 THR 9 HG22 THR 9 -4.750 24.397 -7.492 599 HG23 THR 9 HG23 THR 9 -4.897 23.593 -9.054 600 HA PRO 10 HA PRO 10 -2.355 18.816 -8.669 601 HB2 PRO 10 HB2 PRO 10 -1.060 20.558 -10.620 602 HB3 PRO 10 HB1 PRO 10 -1.520 18.857 -10.760 603 HG2 PRO 10 HG2 PRO 10 -2.769 20.830 -12.135 604 HG3 PRO 10 HG1 PRO 10 -3.574 19.334 -11.631 605 HD2 PRO 10 HD2 PRO 10 -3.698 22.059 -10.423 606 HD3 PRO 10 HD1 PRO 10 -4.977 20.843 -10.634 607 H CYS 11 HN CYS 11 -1.402 19.241 -6.758 608 HA CYS 11 HA CYS 11 0.391 21.567 -6.669 609 HB2 CYS 11 HB2 CYS 11 -1.614 21.703 -5.101 610 HB3 CYS 11 HB1 CYS 11 -0.937 20.317 -4.254 611 H CYS 12 HN CYS 12 2.325 21.167 -5.284 612 HA CYS 12 HA CYS 12 2.971 18.447 -4.673 613 HB2 CYS 12 HB2 CYS 12 4.919 18.435 -6.304 614 HB3 CYS 12 HB1 CYS 12 3.314 18.209 -6.995 615 H PHE 13 HN PHE 13 4.877 18.238 -3.513 616 HA PHE 13 HA PHE 13 6.626 20.489 -3.121 617 HB2 PHE 13 HB2 PHE 13 6.339 20.395 -0.588 618 HB3 PHE 13 HB1 PHE 13 5.048 21.178 -1.483 619 HD1 PHE 13 HD1 PHE 13 5.904 18.599 0.858 620 HD2 PHE 13 HD2 PHE 13 2.906 19.867 -1.886 621 HE1 PHE 13 HE1 PHE 13 4.263 17.158 1.987 622 HE2 PHE 13 HE2 PHE 13 1.263 18.424 -0.761 623 HZ PHE 13 HZ PHE 13 1.941 17.068 1.178 624 H ALA 14 HN ALA 14 7.911 18.878 -4.183 625 HA ALA 14 HA ALA 14 9.564 17.468 -2.377 626 HB1 ALA 14 HB1 ALA 14 7.826 15.795 -4.203 627 HB2 ALA 14 HB2 ALA 14 7.742 15.830 -2.441 628 HB3 ALA 14 HB3 ALA 14 9.180 15.198 -3.243 629 H TYR 15 HN TYR 15 11.164 16.109 -3.740 630 HA TYR 15 HA TYR 15 11.430 17.066 -6.459 631 HB2 TYR 15 HB2 TYR 15 13.773 17.813 -6.095 632 HB3 TYR 15 HB1 TYR 15 12.606 18.808 -5.236 633 HD1 TYR 15 HD1 TYR 15 15.346 16.404 -4.894 634 HD2 TYR 15 HD2 TYR 15 12.484 18.752 -2.801 635 HE1 TYR 15 HE1 TYR 15 16.587 16.047 -2.802 636 HE2 TYR 15 HE2 TYR 15 13.714 18.400 -0.709 637 HH TYR 15 HH TYR 15 15.272 16.854 0.250 638 H LEU 16 HN LEU 16 13.559 16.072 -7.364 639 HA LEU 16 HA LEU 16 13.676 13.305 -6.391 640 HB2 LEU 16 HB2 LEU 16 12.875 14.236 -8.873 641 HB3 LEU 16 HB1 LEU 16 14.534 13.742 -9.139 642 HG LEU 16 HG LEU 16 12.456 11.941 -7.913 643 HD11 LEU 16 HD11 LEU 16 13.349 12.122 -10.789 644 HD12 LEU 16 HD12 LEU 16 11.761 12.571 -10.164 645 HD13 LEU 16 HD13 LEU 16 12.283 10.891 -10.115 646 HD21 LEU 16 HD21 LEU 16 14.780 11.349 -7.438 647 HD22 LEU 16 HD22 LEU 16 15.139 11.364 -9.164 648 HD23 LEU 16 HD23 LEU 16 14.021 10.169 -8.505 649 H SER 17 HN SER 17 15.530 12.715 -5.607 650 HA SER 17 HA SER 17 17.807 14.396 -5.601 651 HB2 SER 17 HB2 SER 17 17.488 11.488 -4.848 652 HB3 SER 17 HB1 SER 17 18.926 12.456 -4.503 653 HG SER 17 HG SER 17 16.353 13.297 -3.675 654 H LEU 18 HN LEU 18 16.779 11.729 -7.575 655 HA LEU 18 HA LEU 18 19.283 11.820 -9.074 656 HB2 LEU 18 HB2 LEU 18 16.990 9.843 -9.132 657 HB3 LEU 18 HB1 LEU 18 18.308 9.815 -10.280 658 HG LEU 18 HG LEU 18 18.726 8.126 -8.659 659 HD11 LEU 18 HD11 LEU 18 20.680 9.373 -9.384 660 HD12 LEU 18 HD12 LEU 18 20.863 8.788 -7.731 661 HD13 LEU 18 HD13 LEU 18 20.484 10.484 -8.028 662 HD21 LEU 18 HD21 LEU 18 17.280 8.923 -6.871 663 HD22 LEU 18 HD22 LEU 18 18.401 10.241 -6.532 664 HD23 LEU 18 HD23 LEU 18 18.895 8.570 -6.257 665 H ALA 19 HN ALA 19 18.830 13.856 -9.935 666 HA ALA 19 HA ALA 19 16.498 14.546 -11.312 667 HB1 ALA 19 HB1 ALA 19 18.134 16.178 -10.511 668 HB2 ALA 19 HB2 ALA 19 17.798 16.389 -12.231 669 HB3 ALA 19 HB3 ALA 19 19.292 15.607 -11.712 670 H LEU 20 HN LEU 20 15.729 13.902 -13.182 671 HA LEU 20 HA LEU 20 17.119 12.085 -14.836 672 HB2 LEU 20 HB2 LEU 20 15.149 12.372 -16.374 673 HB3 LEU 20 HB1 LEU 20 14.761 11.862 -14.747 674 HG LEU 20 HG LEU 20 14.303 14.425 -14.364 675 HD11 LEU 20 HD11 LEU 20 13.909 14.184 -17.341 676 HD12 LEU 20 HD12 LEU 20 15.118 15.179 -16.531 677 HD13 LEU 20 HD13 LEU 20 13.403 15.540 -16.333 678 HD21 LEU 20 HD21 LEU 20 11.965 14.065 -14.997 679 HD22 LEU 20 HD22 LEU 20 12.640 12.668 -14.158 680 HD23 LEU 20 HD23 LEU 20 12.438 12.632 -15.910 681 HA PRO 21 HA PRO 21 19.621 14.733 -17.296 682 HB2 PRO 21 HB2 PRO 21 19.372 13.342 -19.704 683 HB3 PRO 21 HB1 PRO 21 20.550 12.997 -18.436 684 HG2 PRO 21 HG2 PRO 21 17.924 11.691 -18.990 685 HG3 PRO 21 HG1 PRO 21 19.451 10.963 -18.458 686 HD2 PRO 21 HD2 PRO 21 17.443 11.358 -16.749 687 HD3 PRO 21 HD1 PRO 21 19.129 11.611 -16.248 688 H ARG 22 HN ARG 22 19.486 16.310 -18.913 689 HA ARG 22 HA ARG 22 16.978 17.486 -19.292 690 HB2 ARG 22 HB2 ARG 22 19.543 17.927 -20.812 691 HB3 ARG 22 HB1 ARG 22 18.118 18.940 -20.967 692 HG2 ARG 22 HG2 ARG 22 18.308 19.501 -18.558 693 HG3 ARG 22 HG1 ARG 22 19.794 18.553 -18.493 694 HD2 ARG 22 HD2 ARG 22 19.287 20.971 -20.215 695 HD3 ARG 22 HD1 ARG 22 20.293 20.902 -18.769 696 HE ARG 22 HE ARG 22 21.504 19.079 -20.237 697 HH11 ARG 22 HH11 ARG 22 20.246 22.196 -21.299 698 HH12 ARG 22 HH12 ARG 22 21.482 22.417 -22.487 699 HH21 ARG 22 HH21 ARG 22 23.106 19.385 -21.831 700 HH22 ARG 22 HH22 ARG 22 23.090 20.817 -22.809 701 H ALA 23 HN ALA 23 18.692 15.140 -21.180 702 HA ALA 23 HA ALA 23 17.242 15.378 -23.592 703 HB1 ALA 23 HB1 ALA 23 18.567 12.930 -22.425 704 HB2 ALA 23 HB2 ALA 23 19.354 14.150 -23.426 705 HB3 ALA 23 HB3 ALA 23 18.077 13.142 -24.106 706 H HIS 24 HN HIS 24 16.346 14.188 -20.517 707 HA HIS 24 HA HIS 24 14.135 12.610 -21.574 708 HB2 HIS 24 HB2 HIS 24 15.392 12.912 -18.864 709 HB3 HIS 24 HB1 HIS 24 13.779 12.237 -19.025 710 HD1 HIS 24 HD1 HIS 24 15.046 10.070 -17.949 711 HD2 HIS 24 HD2 HIS 24 16.038 11.073 -21.863 712 HE1 HIS 24 HE1 HIS 24 16.145 8.030 -18.906 713 H VAL 25 HN VAL 25 14.841 15.722 -20.401 714 HA VAL 25 HA VAL 25 12.074 16.226 -19.623 715 HB VAL 25 HB VAL 25 14.225 17.045 -18.320 716 HG11 VAL 25 HG11 VAL 25 15.277 18.215 -20.172 717 HG12 VAL 25 HG12 VAL 25 14.889 19.328 -18.856 718 HG13 VAL 25 HG13 VAL 25 13.880 19.287 -20.299 719 HG21 VAL 25 HG21 VAL 25 11.939 17.504 -17.635 720 HG22 VAL 25 HG22 VAL 25 11.862 18.860 -18.764 721 HG23 VAL 25 HG23 VAL 25 12.977 18.910 -17.395 722 H LYS 26 HN LYS 26 10.965 18.093 -20.519 723 HA LYS 26 HA LYS 26 11.877 18.731 -23.244 724 HB2 LYS 26 HB2 LYS 26 9.874 17.280 -23.197 725 HB3 LYS 26 HB1 LYS 26 9.032 18.496 -22.252 726 HG2 LYS 26 HG2 LYS 26 8.962 20.004 -24.066 727 HG3 LYS 26 HG1 LYS 26 10.139 19.065 -24.987 728 HD2 LYS 26 HD2 LYS 26 7.935 18.678 -25.890 729 HD3 LYS 26 HD1 LYS 26 8.502 17.207 -25.103 730 HE2 LYS 26 HE2 LYS 26 6.270 17.422 -24.428 731 HE3 LYS 26 HE1 LYS 26 7.206 18.003 -23.057 732 HZ1 LYS 26 HZ1 LYS 26 5.317 19.442 -23.557 733 HZ2 LYS 26 HZ2 LYS 26 5.911 19.726 -25.103 734 HZ3 LYS 26 HZ3 LYS 26 6.764 20.291 -23.756 735 H GLU 27 HN GLU 27 10.237 19.918 -20.345 736 HA GLU 27 HA GLU 27 11.303 22.529 -20.680 737 HB2 GLU 27 HB2 GLU 27 9.237 23.741 -21.047 738 HB3 GLU 27 HB1 GLU 27 9.502 22.604 -22.360 739 HG2 GLU 27 HG2 GLU 27 7.969 21.036 -21.131 740 HG3 GLU 27 HG1 GLU 27 7.553 22.412 -20.105 741 H TYR 28 HN TYR 28 10.212 24.054 -19.021 742 HA TYR 28 HA TYR 28 9.308 22.505 -16.699 743 HB2 TYR 28 HB2 TYR 28 10.687 23.737 -15.195 744 HB3 TYR 28 HB1 TYR 28 11.737 23.229 -16.511 745 HD1 TYR 28 HD1 TYR 28 10.330 26.025 -14.701 746 HD2 TYR 28 HD2 TYR 28 12.463 24.931 -18.218 747 HE1 TYR 28 HE1 TYR 28 11.012 28.366 -15.014 748 HE2 TYR 28 HE2 TYR 28 13.146 27.264 -18.538 749 HH TYR 28 HH TYR 28 12.462 29.488 -17.915 750 H PHE 29 HN PHE 29 8.157 23.842 -15.096 751 HA PHE 29 HA PHE 29 6.984 26.323 -16.023 752 HB2 PHE 29 HB2 PHE 29 5.702 24.319 -17.070 753 HB3 PHE 29 HB1 PHE 29 5.140 23.996 -15.438 754 HD1 PHE 29 HD1 PHE 29 5.312 26.759 -17.935 755 HD2 PHE 29 HD2 PHE 29 3.151 24.949 -14.748 756 HE1 PHE 29 HE1 PHE 29 3.466 28.347 -18.290 757 HE2 PHE 29 HE2 PHE 29 1.303 26.534 -15.094 758 HZ PHE 29 HZ PHE 29 1.458 28.236 -16.868 759 H TYR 30 HN TYR 30 5.122 26.818 -14.226 760 HA TYR 30 HA TYR 30 6.426 26.236 -11.658 761 HB2 TYR 30 HB2 TYR 30 4.692 28.573 -12.476 762 HB3 TYR 30 HB1 TYR 30 5.269 28.293 -10.838 763 HD1 TYR 30 HD1 TYR 30 6.177 29.385 -14.199 764 HD2 TYR 30 HD2 TYR 30 7.640 28.572 -10.289 765 HE1 TYR 30 HE1 TYR 30 8.239 30.605 -14.726 766 HE2 TYR 30 HE2 TYR 30 9.713 29.790 -10.806 767 HH TYR 30 HH TYR 30 11.024 30.483 -12.738 768 H THR 31 HN THR 31 4.999 26.100 -9.760 769 HA THR 31 HA THR 31 2.929 24.222 -10.175 770 HB THR 31 HB THR 31 2.512 24.779 -7.650 771 HG1 THR 31 HG1 THR 31 3.684 26.681 -7.496 772 HG21 THR 31 HG21 THR 31 4.313 23.298 -7.043 773 HG22 THR 31 HG22 THR 31 5.132 23.617 -8.574 774 HG23 THR 31 HG23 THR 31 3.593 22.756 -8.558 775 H SER 32 HN SER 32 0.730 24.428 -9.275 776 HA SER 32 HA SER 32 -0.739 26.457 -10.472 777 HB2 SER 32 HB2 SER 32 -1.579 24.770 -8.108 778 HB3 SER 32 HB1 SER 32 -2.634 25.532 -9.299 779 HG SER 32 HG SER 32 -1.350 23.151 -9.411 780 H SER 33 HN SER 33 -1.823 28.265 -9.639 781 HA SER 33 HA SER 33 -0.371 29.770 -7.742 782 HB2 SER 33 HB2 SER 33 -3.130 30.318 -8.834 783 HB3 SER 33 HB1 SER 33 -2.020 31.495 -8.130 784 HG SER 33 HG SER 33 -0.563 30.980 -9.853 785 H LYS 34 HN LYS 34 -2.884 27.494 -7.368 786 HA LYS 34 HA LYS 34 -3.984 28.584 -4.939 787 HB2 LYS 34 HB2 LYS 34 -4.253 25.765 -5.984 788 HB3 LYS 34 HB1 LYS 34 -5.297 26.569 -4.826 789 HG2 LYS 34 HG2 LYS 34 -4.999 27.323 -7.725 790 HG3 LYS 34 HG1 LYS 34 -6.323 26.381 -7.040 791 HD2 LYS 34 HD2 LYS 34 -6.891 28.320 -5.600 792 HD3 LYS 34 HD1 LYS 34 -5.623 29.250 -6.406 793 HE2 LYS 34 HE2 LYS 34 -6.767 28.888 -8.562 794 HE3 LYS 34 HE1 LYS 34 -8.049 28.025 -7.717 795 HZ1 LYS 34 HZ1 LYS 34 -8.479 30.071 -6.449 796 HZ2 LYS 34 HZ2 LYS 34 -8.729 30.262 -8.107 797 HZ3 LYS 34 HZ3 LYS 34 -7.334 30.888 -7.393 798 H CYS 35 HN CYS 35 -1.220 26.778 -5.741 799 HA CYS 35 HA CYS 35 -1.041 25.217 -3.352 800 HB2 CYS 35 HB2 CYS 35 1.093 25.906 -5.377 801 HB3 CYS 35 HB1 CYS 35 1.201 24.652 -4.147 802 H SER 36 HN SER 36 -0.064 25.671 -1.468 803 HA SER 36 HA SER 36 0.809 28.360 -0.951 804 HB2 SER 36 HB2 SER 36 1.232 27.400 1.368 805 HB3 SER 36 HB1 SER 36 -0.432 27.286 0.794 806 HG SER 36 HG SER 36 0.722 25.335 1.758 807 H ASN 37 HN ASN 37 2.209 25.310 -1.689 808 HA ASN 37 HA ASN 37 4.905 26.195 -1.013 809 HB2 ASN 37 HB2 ASN 37 4.432 23.922 -0.370 810 HB3 ASN 37 HB1 ASN 37 3.814 23.542 -1.974 811 HD21 ASN 37 HD21 ASN 37 5.252 23.151 -3.646 812 HD22 ASN 37 HD22 ASN 37 6.943 22.912 -3.381 813 H LEU 38 HN LEU 38 6.086 27.197 -2.490 814 HA LEU 38 HA LEU 38 5.250 27.162 -5.250 815 HB2 LEU 38 HB2 LEU 38 6.020 29.253 -4.276 816 HB3 LEU 38 HB1 LEU 38 7.570 28.528 -3.896 817 HG LEU 38 HG LEU 38 8.006 28.250 -6.316 818 HD11 LEU 38 HD11 LEU 38 5.444 29.804 -6.628 819 HD12 LEU 38 HD12 LEU 38 5.739 28.141 -7.141 820 HD13 LEU 38 HD13 LEU 38 6.600 29.469 -7.917 821 HD21 LEU 38 HD21 LEU 38 7.367 31.055 -5.435 822 HD22 LEU 38 HD22 LEU 38 8.423 30.605 -6.775 823 HD23 LEU 38 HD23 LEU 38 8.865 30.178 -5.122 824 H ALA 39 HN ALA 39 5.942 25.772 -6.682 825 HA ALA 39 HA ALA 39 8.628 24.683 -6.472 826 HB1 ALA 39 HB1 ALA 39 7.834 22.380 -6.832 827 HB2 ALA 39 HB2 ALA 39 6.166 22.941 -6.703 828 HB3 ALA 39 HB3 ALA 39 7.239 23.042 -5.309 829 H VAL 40 HN VAL 40 8.943 23.202 -8.559 830 HA VAL 40 HA VAL 40 7.575 24.577 -10.755 831 HB VAL 40 HB VAL 40 9.549 24.403 -12.151 832 HG11 VAL 40 HG11 VAL 40 10.144 25.702 -9.507 833 HG12 VAL 40 HG12 VAL 40 9.293 26.425 -10.875 834 HG13 VAL 40 HG13 VAL 40 11.003 26.014 -11.016 835 HG21 VAL 40 HG21 VAL 40 11.709 23.707 -11.240 836 HG22 VAL 40 HG22 VAL 40 10.529 22.398 -11.249 837 HG23 VAL 40 HG23 VAL 40 10.914 23.228 -9.737 838 H VAL 41 HN VAL 41 7.395 23.381 -12.689 839 HA VAL 41 HA VAL 41 7.154 20.495 -12.190 840 HB VAL 41 HB VAL 41 5.407 22.273 -13.904 841 HG11 VAL 41 HG11 VAL 41 5.693 20.030 -14.842 842 HG12 VAL 41 HG12 VAL 41 4.046 20.316 -14.282 843 HG13 VAL 41 HG13 VAL 41 5.148 19.333 -13.315 844 HG21 VAL 41 HG21 VAL 41 3.643 21.750 -12.287 845 HG22 VAL 41 HG22 VAL 41 4.996 22.580 -11.518 846 HG23 VAL 41 HG23 VAL 41 4.801 20.838 -11.319 847 H PHE 42 HN PHE 42 8.248 19.232 -13.547 848 HA PHE 42 HA PHE 42 9.329 20.449 -15.995 849 HB2 PHE 42 HB2 PHE 42 10.280 18.078 -14.390 850 HB3 PHE 42 HB1 PHE 42 10.931 18.513 -15.963 851 HD1 PHE 42 HD1 PHE 42 10.895 19.223 -12.433 852 HD2 PHE 42 HD2 PHE 42 12.166 20.623 -16.238 853 HE1 PHE 42 HE1 PHE 42 12.481 20.755 -11.340 854 HE2 PHE 42 HE2 PHE 42 13.755 22.152 -15.159 855 HZ PHE 42 HZ PHE 42 13.918 22.219 -12.708 856 H VAL 43 HN VAL 43 8.479 19.861 -17.834 857 HA VAL 43 HA VAL 43 6.776 17.499 -17.909 858 HB VAL 43 HB VAL 43 7.206 19.702 -19.944 859 HG11 VAL 43 HG11 VAL 43 6.718 17.563 -21.042 860 HG12 VAL 43 HG12 VAL 43 5.387 18.704 -21.215 861 HG13 VAL 43 HG13 VAL 43 5.271 17.385 -20.048 862 HG21 VAL 43 HG21 VAL 43 4.896 20.327 -19.390 863 HG22 VAL 43 HG22 VAL 43 5.946 20.406 -17.975 864 HG23 VAL 43 HG23 VAL 43 4.844 19.043 -18.180 865 H THR 44 HN THR 44 7.519 15.665 -18.627 866 HA THR 44 HA THR 44 10.206 15.492 -19.653 867 HB THR 44 HB THR 44 9.868 13.056 -19.484 868 HG1 THR 44 HG1 THR 44 7.299 13.570 -18.429 869 HG21 THR 44 HG21 THR 44 10.504 14.323 -17.464 870 HG22 THR 44 HG22 THR 44 9.502 12.921 -17.078 871 HG23 THR 44 HG23 THR 44 8.792 14.534 -17.087 872 H ARG 45 HN ARG 45 10.606 13.879 -21.460 873 HA ARG 45 HA ARG 45 9.232 14.684 -23.829 874 HB2 ARG 45 HB2 ARG 45 11.230 12.459 -23.346 875 HB3 ARG 45 HB1 ARG 45 10.662 12.956 -24.934 876 HG2 ARG 45 HG2 ARG 45 12.129 14.743 -23.003 877 HG3 ARG 45 HG1 ARG 45 12.875 13.878 -24.348 878 HD2 ARG 45 HD2 ARG 45 11.518 15.096 -25.932 879 HD3 ARG 45 HD1 ARG 45 10.634 15.876 -24.626 880 HE ARG 45 HE ARG 45 12.956 16.794 -24.020 881 HH11 ARG 45 HH11 ARG 45 11.894 16.157 -27.312 882 HH12 ARG 45 HH12 ARG 45 12.811 17.452 -27.993 883 HH21 ARG 45 HH21 ARG 45 14.157 18.511 -24.929 884 HH22 ARG 45 HH22 ARG 45 14.099 18.803 -26.628 885 H ARG 46 HN ARG 46 8.593 12.467 -21.431 886 HA ARG 46 HA ARG 46 7.143 10.525 -23.022 887 HB2 ARG 46 HB2 ARG 46 7.189 10.883 -20.020 888 HB3 ARG 46 HB1 ARG 46 6.651 9.465 -20.903 889 HG2 ARG 46 HG2 ARG 46 8.903 9.014 -21.634 890 HG3 ARG 46 HG1 ARG 46 9.475 10.502 -20.875 891 HD2 ARG 46 HD2 ARG 46 8.744 9.623 -18.683 892 HD3 ARG 46 HD1 ARG 46 8.275 8.117 -19.469 893 HE ARG 46 HE ARG 46 10.940 8.648 -20.109 894 HH11 ARG 46 HH11 ARG 46 9.005 7.755 -17.309 895 HH12 ARG 46 HH12 ARG 46 10.309 6.969 -16.498 896 HH21 ARG 46 HH21 ARG 46 12.656 7.589 -19.052 897 HH22 ARG 46 HH22 ARG 46 12.422 6.877 -17.497 898 H ASN 47 HN ASN 47 6.595 13.598 -22.252 899 HA ASN 47 HA ASN 47 4.813 14.973 -22.223 900 HB2 ASN 47 HB2 ASN 47 3.302 12.449 -22.906 901 HB3 ASN 47 HB1 ASN 47 2.527 14.025 -22.784 902 HD21 ASN 47 HD21 ASN 47 4.632 12.004 -24.626 903 HD22 ASN 47 HD22 ASN 47 4.733 13.012 -26.026 904 H ARG 48 HN ARG 48 5.731 13.278 -19.873 905 HA ARG 48 HA ARG 48 3.346 13.636 -18.196 906 HB2 ARG 48 HB2 ARG 48 4.233 11.362 -18.154 907 HB3 ARG 48 HB1 ARG 48 5.826 11.973 -17.721 908 HG2 ARG 48 HG2 ARG 48 4.808 12.910 -15.641 909 HG3 ARG 48 HG1 ARG 48 3.324 12.055 -16.060 910 HD2 ARG 48 HD2 ARG 48 4.508 9.945 -16.003 911 HD3 ARG 48 HD1 ARG 48 6.020 10.787 -15.655 912 HE ARG 48 HE ARG 48 4.711 11.602 -13.593 913 HH11 ARG 48 HH11 ARG 48 4.305 8.451 -15.079 914 HH12 ARG 48 HH12 ARG 48 3.929 7.656 -13.587 915 HH21 ARG 48 HH21 ARG 48 4.194 10.556 -11.603 916 HH22 ARG 48 HH22 ARG 48 3.853 8.856 -11.618 917 H GLN 49 HN GLN 49 3.511 14.832 -16.324 918 HA GLN 49 HA GLN 49 5.816 16.620 -16.244 919 HB2 GLN 49 HB2 GLN 49 4.264 17.961 -14.720 920 HB3 GLN 49 HB1 GLN 49 3.882 17.907 -16.433 921 HG2 GLN 49 HG2 GLN 49 2.159 16.299 -16.063 922 HG3 GLN 49 HG1 GLN 49 2.608 16.133 -14.366 923 HE21 GLN 49 HE21 GLN 49 3.052 18.970 -14.029 924 HE22 GLN 49 HE22 GLN 49 1.490 19.710 -13.976 925 H VAL 50 HN VAL 50 7.012 16.919 -14.448 926 HA VAL 50 HA VAL 50 6.399 15.281 -12.083 927 HB VAL 50 HB VAL 50 8.309 14.364 -13.469 928 HG11 VAL 50 HG11 VAL 50 9.237 16.409 -14.275 929 HG12 VAL 50 HG12 VAL 50 10.464 15.511 -13.375 930 HG13 VAL 50 HG13 VAL 50 9.664 16.902 -12.637 931 HG21 VAL 50 HG21 VAL 50 9.821 14.006 -11.560 932 HG22 VAL 50 HG22 VAL 50 8.126 13.817 -11.107 933 HG23 VAL 50 HG23 VAL 50 8.992 15.292 -10.681 934 H CYS 51 HN CYS 51 7.295 16.218 -10.070 935 HA CYS 51 HA CYS 51 7.463 19.143 -10.305 936 HB2 CYS 51 HB2 CYS 51 6.380 17.504 -8.022 937 HB3 CYS 51 HB1 CYS 51 6.419 19.261 -8.114 938 H ALA 52 HN ALA 52 8.881 20.269 -8.962 939 HA ALA 52 HA ALA 52 10.535 18.865 -7.076 940 HB1 ALA 52 HB1 ALA 52 12.662 19.360 -8.142 941 HB2 ALA 52 HB2 ALA 52 11.823 20.063 -9.525 942 HB3 ALA 52 HB3 ALA 52 11.674 18.338 -9.187 943 H ASN 53 HN ASN 53 11.569 20.233 -5.650 944 HA ASN 53 HA ASN 53 10.536 22.901 -5.497 945 HB2 ASN 53 HB2 ASN 53 12.729 21.663 -3.809 946 HB3 ASN 53 HB1 ASN 53 11.760 23.073 -3.408 947 HD21 ASN 53 HD21 ASN 53 9.593 22.767 -2.727 948 HD22 ASN 53 HD22 ASN 53 9.047 21.224 -2.182 949 HA PRO 54 HA PRO 54 13.768 24.645 -8.053 950 HB2 PRO 54 HB2 PRO 54 13.158 27.251 -7.654 951 HB3 PRO 54 HB1 PRO 54 12.182 26.192 -8.682 952 HG2 PRO 54 HG2 PRO 54 11.749 26.962 -5.816 953 HG3 PRO 54 HG1 PRO 54 10.579 26.963 -7.154 954 HD2 PRO 54 HD2 PRO 54 10.660 24.956 -5.389 955 HD3 PRO 54 HD1 PRO 54 10.354 24.654 -7.115 956 H GLU 55 HN GLU 55 13.691 24.665 -4.737 957 HA GLU 55 HA GLU 55 15.776 26.617 -4.388 958 HB2 GLU 55 HB2 GLU 55 14.491 24.731 -2.405 959 HB3 GLU 55 HB1 GLU 55 15.680 25.959 -1.989 960 HG2 GLU 55 HG2 GLU 55 14.145 27.691 -2.838 961 HG3 GLU 55 HG1 GLU 55 12.946 26.440 -3.159 962 H LYS 56 HN LYS 56 15.730 23.521 -5.484 963 HA LYS 56 HA LYS 56 18.281 22.752 -4.311 964 HB2 LYS 56 HB2 LYS 56 16.185 21.363 -5.907 965 HB3 LYS 56 HB1 LYS 56 17.838 20.796 -6.089 966 HG2 LYS 56 HG2 LYS 56 16.467 21.062 -3.419 967 HG3 LYS 56 HG1 LYS 56 16.459 19.580 -4.379 968 HD2 LYS 56 HD2 LYS 56 18.920 19.557 -4.334 969 HD3 LYS 56 HD1 LYS 56 18.911 21.011 -3.338 970 HE2 LYS 56 HE2 LYS 56 17.665 18.371 -2.574 971 HE3 LYS 56 HE1 LYS 56 19.249 18.929 -2.041 972 HZ1 LYS 56 HZ1 LYS 56 16.651 20.243 -1.460 973 HZ2 LYS 56 HZ2 LYS 56 18.161 20.817 -0.975 974 HZ3 LYS 56 HZ3 LYS 56 17.583 19.350 -0.369 975 H LYS 57 HN LYS 57 20.182 22.737 -5.405 976 HA LYS 57 HA LYS 57 20.512 24.684 -7.377 977 HB2 LYS 57 HB2 LYS 57 22.257 23.947 -5.756 978 HB3 LYS 57 HB1 LYS 57 22.460 22.484 -6.708 979 HG2 LYS 57 HG2 LYS 57 24.179 24.155 -7.202 980 HG3 LYS 57 HG1 LYS 57 23.189 23.789 -8.618 981 HD2 LYS 57 HD2 LYS 57 21.931 25.816 -8.335 982 HD3 LYS 57 HD1 LYS 57 22.720 26.141 -6.792 983 HE2 LYS 57 HE2 LYS 57 24.865 26.378 -7.959 984 HE3 LYS 57 HE1 LYS 57 24.058 26.070 -9.495 985 HZ1 LYS 57 HZ1 LYS 57 22.762 28.069 -9.191 986 HZ2 LYS 57 HZ2 LYS 57 24.406 28.437 -9.084 987 HZ3 LYS 57 HZ3 LYS 57 23.470 28.349 -7.682 988 H TRP 58 HN TRP 58 20.358 21.161 -7.671 989 HA TRP 58 HA TRP 58 21.144 21.060 -10.381 990 HB2 TRP 58 HB2 TRP 58 19.577 19.142 -8.670 991 HB3 TRP 58 HB1 TRP 58 19.883 18.821 -10.373 992 HD1 TRP 58 HD1 TRP 58 21.285 18.045 -7.126 993 HE1 TRP 58 HE1 TRP 58 23.750 17.331 -7.298 994 HE3 TRP 58 HE3 TRP 58 22.271 19.656 -11.880 995 HZ2 TRP 58 HZ2 TRP 58 25.838 17.437 -9.193 996 HZ3 TRP 58 HZ3 TRP 58 24.528 19.310 -12.795 997 HH2 TRP 58 HH2 TRP 58 26.273 18.225 -11.478 998 H VAL 59 HN VAL 59 18.102 21.640 -8.837 999 HA VAL 59 HA VAL 59 16.460 21.335 -11.124 1000 HB VAL 59 HB VAL 59 16.033 23.061 -8.665 1001 HG11 VAL 59 HG11 VAL 59 13.660 22.996 -9.258 1002 HG12 VAL 59 HG12 VAL 59 14.055 22.106 -10.726 1003 HG13 VAL 59 HG13 VAL 59 14.619 23.764 -10.525 1004 HG21 VAL 59 HG21 VAL 59 14.645 21.209 -7.862 1005 HG22 VAL 59 HG22 VAL 59 16.315 20.700 -8.119 1006 HG23 VAL 59 HG23 VAL 59 15.071 20.271 -9.293 1007 H GLN 60 HN GLN 60 18.180 24.012 -9.662 1008 HA GLN 60 HA GLN 60 17.288 26.018 -11.447 1009 HB2 GLN 60 HB2 GLN 60 19.787 25.889 -9.757 1010 HB3 GLN 60 HB1 GLN 60 19.173 27.332 -10.550 1011 HG2 GLN 60 HG2 GLN 60 17.657 25.773 -8.480 1012 HG3 GLN 60 HG1 GLN 60 18.660 27.172 -8.120 1013 HE21 GLN 60 HE21 GLN 60 15.709 26.051 -9.533 1014 HE22 GLN 60 HE22 GLN 60 14.964 27.599 -9.704 1015 H GLU 61 HN GLU 61 20.058 23.840 -11.371 1016 HA GLU 61 HA GLU 61 21.406 24.927 -13.571 1017 HB2 GLU 61 HB2 GLU 61 21.376 22.090 -12.545 1018 HB3 GLU 61 HB1 GLU 61 22.547 22.747 -13.680 1019 HG2 GLU 61 HG2 GLU 61 22.126 23.734 -10.876 1020 HG3 GLU 61 HG1 GLU 61 23.384 22.611 -11.372 1021 H TYR 62 HN TYR 62 19.014 22.343 -13.293 1022 HA TYR 62 HA TYR 62 19.041 21.736 -16.061 1023 HB2 TYR 62 HB2 TYR 62 17.258 21.026 -13.781 1024 HB3 TYR 62 HB1 TYR 62 16.668 20.763 -15.421 1025 HD1 TYR 62 HD1 TYR 62 19.549 20.005 -13.187 1026 HD2 TYR 62 HD2 TYR 62 17.281 18.858 -16.594 1027 HE1 TYR 62 HE1 TYR 62 20.837 17.920 -13.329 1028 HE2 TYR 62 HE2 TYR 62 18.566 16.769 -16.745 1029 HH TYR 62 HH TYR 62 20.583 15.671 -14.251 1030 H ILE 63 HN ILE 63 17.094 23.875 -14.083 1031 HA ILE 63 HA ILE 63 15.272 24.635 -16.097 1032 HB ILE 63 HB ILE 63 16.245 26.034 -13.607 1033 HG12 ILE 63 HG12 ILE 63 13.556 24.876 -14.367 1034 HG13 ILE 63 HG11 ILE 63 14.749 24.104 -13.328 1035 HG21 ILE 63 HG21 ILE 63 15.758 27.785 -15.200 1036 HG22 ILE 63 HG22 ILE 63 14.520 27.741 -13.943 1037 HG23 ILE 63 HG23 ILE 63 14.181 27.070 -15.540 1038 HD11 ILE 63 HD11 ILE 63 14.506 25.923 -11.712 1039 HD12 ILE 63 HD12 ILE 63 12.973 25.109 -12.022 1040 HD13 ILE 63 HD13 ILE 63 13.301 26.679 -12.753 1041 H ASN 64 HN ASN 64 18.307 26.078 -15.027 1042 HA ASN 64 HA ASN 64 18.277 28.188 -16.901 1043 HB2 ASN 64 HB2 ASN 64 19.908 28.911 -15.551 1044 HB3 ASN 64 HB1 ASN 64 19.927 27.356 -14.736 1045 HD21 ASN 64 HD21 ASN 64 21.462 25.849 -15.312 1046 HD22 ASN 64 HD22 ASN 64 22.889 26.267 -16.191 1047 H TYR 65 HN TYR 65 19.559 24.929 -16.994 1048 HA TYR 65 HA TYR 65 20.978 25.369 -19.441 1049 HB2 TYR 65 HB2 TYR 65 20.443 22.987 -17.748 1050 HB3 TYR 65 HB1 TYR 65 20.898 22.737 -19.429 1051 HD1 TYR 65 HD1 TYR 65 22.229 22.593 -16.344 1052 HD2 TYR 65 HD2 TYR 65 22.926 24.624 -20.016 1053 HE1 TYR 65 HE1 TYR 65 24.597 22.856 -15.744 1054 HE2 TYR 65 HE2 TYR 65 25.296 24.892 -19.425 1055 HH TYR 65 HH TYR 65 26.773 23.185 -16.941 1056 H LEU 66 HN LEU 66 17.753 24.221 -18.629 1057 HA LEU 66 HA LEU 66 17.367 23.412 -21.394 1058 HB2 LEU 66 HB2 LEU 66 15.509 22.281 -20.739 1059 HB3 LEU 66 HB1 LEU 66 16.335 22.346 -19.202 1060 HG LEU 66 HG LEU 66 14.851 24.507 -18.873 1061 HD11 LEU 66 HD11 LEU 66 13.322 22.884 -20.903 1062 HD12 LEU 66 HD12 LEU 66 13.863 24.553 -21.070 1063 HD13 LEU 66 HD13 LEU 66 12.610 24.145 -19.902 1064 HD21 LEU 66 HD21 LEU 66 13.170 23.075 -17.796 1065 HD22 LEU 66 HD22 LEU 66 14.812 22.539 -17.449 1066 HD23 LEU 66 HD23 LEU 66 13.835 21.676 -18.637 1067 H GLU 67 HN GLU 67 16.694 26.183 -19.415 1068 HA GLU 67 HA GLU 67 14.852 27.333 -21.259 1069 HB2 GLU 67 HB2 GLU 67 15.021 29.356 -20.004 1070 HB3 GLU 67 HB1 GLU 67 15.127 28.042 -18.844 1071 HG2 GLU 67 HG2 GLU 67 17.540 28.314 -18.742 1072 HG3 GLU 67 HG1 GLU 67 17.444 29.627 -19.914 1073 H MET 68 HN MET 68 18.276 27.044 -21.131 1074 HA MET 68 HA MET 68 18.628 28.924 -23.350 1075 HB2 MET 68 HB2 MET 68 21.005 28.679 -23.008 1076 HB3 MET 68 HB1 MET 68 20.240 29.088 -21.479 1077 HG2 MET 68 HG2 MET 68 20.380 26.772 -20.777 1078 HG3 MET 68 HG1 MET 68 21.069 26.322 -22.333 1079 HE1 MET 68 HE1 MET 68 24.584 27.974 -22.241 1080 HE2 MET 68 HE2 MET 68 23.119 28.653 -22.945 1081 HE3 MET 68 HE3 MET 68 23.472 26.935 -23.131 1082 H SER 69 HN SER 69 17.879 25.817 -22.911 1083 HA SER 69 HA SER 69 18.492 25.105 -25.608 1084 HB2 SER 69 HB2 SER 69 19.979 23.929 -23.315 1085 HB3 SER 69 HB1 SER 69 19.750 22.992 -24.803 1086 HG SER 69 HG SER 69 20.675 25.612 -25.044 Start of MODEL 16 1 H1 MET 1 HT1 MET 1 0.809 12.013 -19.602 2 HA MET 1 HA MET 1 0.758 12.592 -17.284 3 HB2 MET 1 HB2 MET 1 -1.627 10.742 -17.293 4 HB3 MET 1 HB1 MET 1 -0.763 11.184 -15.830 5 HG2 MET 1 HG2 MET 1 -1.345 13.500 -16.134 6 HG3 MET 1 HG1 MET 1 -2.102 13.138 -17.685 7 HE1 MET 1 HE1 MET 1 -3.455 14.699 -15.142 8 HE2 MET 1 HE2 MET 1 -5.089 14.043 -15.228 9 HE3 MET 1 HE3 MET 1 -4.246 14.506 -16.706 10 H SER 2 HN SER 2 1.856 11.309 -15.760 11 HA SER 2 HA SER 2 2.343 8.510 -16.342 12 HB2 SER 2 HB2 SER 2 4.647 10.474 -16.083 13 HB3 SER 2 HB1 SER 2 4.774 8.735 -16.327 14 HG SER 2 HG SER 2 3.377 9.361 -18.317 15 HA PRO 3 HA PRO 3 1.765 9.465 -11.885 16 HB2 PRO 3 HB2 PRO 3 0.604 6.781 -11.784 17 HB3 PRO 3 HB1 PRO 3 -0.151 8.334 -11.422 18 HG2 PRO 3 HG2 PRO 3 -0.815 6.882 -13.602 19 HG3 PRO 3 HG1 PRO 3 -0.843 8.655 -13.597 20 HD2 PRO 3 HD2 PRO 3 1.245 6.797 -14.682 21 HD3 PRO 3 HD1 PRO 3 0.561 8.270 -15.405 22 H TYR 4 HN TYR 4 4.227 8.362 -13.036 23 HA TYR 4 HA TYR 4 4.985 6.659 -10.778 24 HB2 TYR 4 HB2 TYR 4 4.748 5.199 -12.746 25 HB3 TYR 4 HB1 TYR 4 5.858 6.227 -13.647 26 HD1 TYR 4 HD1 TYR 4 5.618 3.956 -10.725 27 HD2 TYR 4 HD2 TYR 4 8.196 5.918 -13.480 28 HE1 TYR 4 HE1 TYR 4 7.513 2.635 -9.883 29 HE2 TYR 4 HE2 TYR 4 10.096 4.602 -12.646 30 HH TYR 4 HH TYR 4 9.698 1.895 -10.592 31 H GLY 5 HN GLY 5 6.886 7.155 -9.843 32 HA2 GLY 5 HA2 GLY 5 8.969 8.131 -9.574 33 HA3 GLY 5 HA1 GLY 5 8.841 8.796 -11.198 34 H SER 6 HN SER 6 6.304 9.190 -8.878 35 HA SER 6 HA SER 6 5.456 10.940 -7.728 36 HB2 SER 6 HB2 SER 6 8.179 12.227 -8.026 37 HB3 SER 6 HB1 SER 6 6.924 12.675 -6.870 38 HG SER 6 HG SER 6 8.831 10.894 -6.562 39 H ASP 7 HN ASP 7 3.925 12.016 -8.769 40 HA ASP 7 HA ASP 7 4.734 14.129 -10.600 41 HB2 ASP 7 HB2 ASP 7 3.485 13.411 -12.410 42 HB3 ASP 7 HB1 ASP 7 4.055 11.877 -11.768 43 H THR 8 HN THR 8 2.524 15.261 -11.292 44 HA THR 8 HA THR 8 1.626 16.736 -9.196 45 HB THR 8 HB THR 8 -0.512 16.989 -10.698 46 HG1 THR 8 HG1 THR 8 0.592 14.961 -11.863 47 HG21 THR 8 HG21 THR 8 0.756 18.522 -12.150 48 HG22 THR 8 HG22 THR 8 2.262 17.786 -11.599 49 HG23 THR 8 HG23 THR 8 1.240 18.666 -10.460 50 H THR 9 HN THR 9 0.753 16.062 -7.370 51 HA THR 9 HA THR 9 -1.153 13.857 -7.390 52 HB THR 9 HB THR 9 0.121 15.313 -5.062 53 HG1 THR 9 HG1 THR 9 1.357 13.820 -6.714 54 HG21 THR 9 HG21 THR 9 -1.299 12.651 -5.157 55 HG22 THR 9 HG22 THR 9 -2.015 14.150 -4.565 56 HG23 THR 9 HG23 THR 9 -0.637 13.441 -3.725 57 HA PRO 10 HA PRO 10 -4.338 16.970 -7.086 58 HB2 PRO 10 HB2 PRO 10 -6.261 14.821 -6.975 59 HB3 PRO 10 HB1 PRO 10 -5.938 15.946 -8.294 60 HG2 PRO 10 HG2 PRO 10 -5.373 13.248 -8.371 61 HG3 PRO 10 HG1 PRO 10 -4.615 14.476 -9.396 62 HD2 PRO 10 HD2 PRO 10 -3.568 13.118 -6.968 63 HD3 PRO 10 HD1 PRO 10 -2.711 13.701 -8.410 64 H CYS 11 HN CYS 11 -4.096 17.739 -5.039 65 HA CYS 11 HA CYS 11 -5.408 16.200 -2.909 66 HB2 CYS 11 HB2 CYS 11 -2.835 16.119 -2.871 67 HB3 CYS 11 HB1 CYS 11 -2.912 17.822 -2.439 68 H CYS 12 HN CYS 12 -5.680 17.751 -0.925 69 HA CYS 12 HA CYS 12 -5.788 20.501 -1.157 70 HB2 CYS 12 HB2 CYS 12 -7.379 20.101 -3.011 71 HB3 CYS 12 HB1 CYS 12 -8.417 19.196 -1.919 72 H PHE 13 HN PHE 13 -7.416 21.443 0.433 73 HA PHE 13 HA PHE 13 -8.476 19.731 2.461 74 HB2 PHE 13 HB2 PHE 13 -6.124 19.783 3.191 75 HB3 PHE 13 HB1 PHE 13 -6.134 21.541 3.146 76 HD1 PHE 13 HD1 PHE 13 -7.607 18.602 4.854 77 HD2 PHE 13 HD2 PHE 13 -6.844 22.783 5.014 78 HE1 PHE 13 HE1 PHE 13 -8.323 18.640 7.207 79 HE2 PHE 13 HE2 PHE 13 -7.562 22.829 7.363 80 HZ PHE 13 HZ PHE 13 -8.302 20.756 8.465 81 H ALA 14 HN ALA 14 -10.372 20.802 1.798 82 HA ALA 14 HA ALA 14 -10.852 23.272 3.162 83 HB1 ALA 14 HB1 ALA 14 -10.979 23.247 0.148 84 HB2 ALA 14 HB2 ALA 14 -9.771 24.092 1.115 85 HB3 ALA 14 HB3 ALA 14 -11.464 24.578 1.199 86 H TYR 15 HN TYR 15 -13.106 24.053 1.813 87 HA TYR 15 HA TYR 15 -14.857 21.832 1.366 88 HB2 TYR 15 HB2 TYR 15 -16.442 22.482 3.188 89 HB3 TYR 15 HB1 TYR 15 -14.925 21.832 3.794 90 HD1 TYR 15 HD1 TYR 15 -17.170 24.656 3.801 91 HD2 TYR 15 HD2 TYR 15 -13.189 23.441 4.684 92 HE1 TYR 15 HE1 TYR 15 -16.865 26.665 5.187 93 HE2 TYR 15 HE2 TYR 15 -12.878 25.440 6.070 94 HH TYR 15 HH TYR 15 -13.973 27.837 6.077 95 H LEU 16 HN LEU 16 -16.818 22.502 0.431 96 HA LEU 16 HA LEU 16 -16.677 25.166 -0.723 97 HB2 LEU 16 HB2 LEU 16 -17.092 23.244 -2.193 98 HB3 LEU 16 HB1 LEU 16 -18.540 22.857 -1.290 99 HG LEU 16 HG LEU 16 -19.621 24.889 -2.066 100 HD11 LEU 16 HD11 LEU 16 -17.029 25.435 -3.505 101 HD12 LEU 16 HD12 LEU 16 -17.711 26.370 -2.174 102 HD13 LEU 16 HD13 LEU 16 -18.531 26.330 -3.734 103 HD21 LEU 16 HD21 LEU 16 -18.324 23.388 -4.338 104 HD22 LEU 16 HD22 LEU 16 -19.801 24.345 -4.431 105 HD23 LEU 16 HD23 LEU 16 -19.763 22.876 -3.456 106 H SER 17 HN SER 17 -17.636 26.788 0.152 107 HA SER 17 HA SER 17 -19.327 26.654 2.375 108 HB2 SER 17 HB2 SER 17 -19.048 28.938 0.432 109 HB3 SER 17 HB1 SER 17 -19.477 29.042 2.145 110 HG SER 17 HG SER 17 -17.421 28.845 2.671 111 H LEU 18 HN LEU 18 -19.966 26.772 -1.055 112 HA LEU 18 HA LEU 18 -22.843 26.980 -0.590 113 HB2 LEU 18 HB2 LEU 18 -21.197 27.180 -3.119 114 HB3 LEU 18 HB1 LEU 18 -22.944 27.126 -3.121 115 HG LEU 18 HG LEU 18 -22.914 29.249 -1.746 116 HD11 LEU 18 HD11 LEU 18 -20.007 29.267 -2.537 117 HD12 LEU 18 HD12 LEU 18 -20.641 29.115 -0.899 118 HD13 LEU 18 HD13 LEU 18 -20.889 30.608 -1.805 119 HD21 LEU 18 HD21 LEU 18 -23.394 29.250 -4.130 120 HD22 LEU 18 HD22 LEU 18 -21.670 29.334 -4.490 121 HD23 LEU 18 HD23 LEU 18 -22.468 30.681 -3.677 122 H ALA 19 HN ALA 19 -23.065 24.884 0.272 123 HA ALA 19 HA ALA 19 -22.128 22.573 -1.051 124 HB1 ALA 19 HB1 ALA 19 -24.355 22.804 0.966 125 HB2 ALA 19 HB2 ALA 19 -22.642 22.623 1.343 126 HB3 ALA 19 HB3 ALA 19 -23.503 21.327 0.510 127 H LEU 20 HN LEU 20 -22.750 22.030 -2.977 128 HA LEU 20 HA LEU 20 -25.323 22.683 -4.035 129 HB2 LEU 20 HB2 LEU 20 -24.458 21.317 -6.014 130 HB3 LEU 20 HB1 LEU 20 -23.621 22.801 -5.617 131 HG LEU 20 HG LEU 20 -21.976 21.269 -4.324 132 HD11 LEU 20 HD11 LEU 20 -23.228 19.246 -6.169 133 HD12 LEU 20 HD12 LEU 20 -23.278 19.230 -4.405 134 HD13 LEU 20 HD13 LEU 20 -21.741 19.023 -5.245 135 HD21 LEU 20 HD21 LEU 20 -21.400 22.526 -6.313 136 HD22 LEU 20 HD22 LEU 20 -22.093 21.262 -7.331 137 HD23 LEU 20 HD23 LEU 20 -20.665 20.923 -6.352 138 HA PRO 21 HA PRO 21 -27.541 19.065 -2.883 139 HB2 PRO 21 HB2 PRO 21 -29.250 18.838 -5.002 140 HB3 PRO 21 HB1 PRO 21 -29.441 20.034 -3.717 141 HG2 PRO 21 HG2 PRO 21 -28.265 20.354 -6.445 142 HG3 PRO 21 HG1 PRO 21 -29.344 21.443 -5.556 143 HD2 PRO 21 HD2 PRO 21 -26.687 21.872 -5.734 144 HD3 PRO 21 HD1 PRO 21 -27.624 22.321 -4.294 145 H ARG 22 HN ARG 22 -28.014 16.874 -3.488 146 HA ARG 22 HA ARG 22 -25.858 15.511 -4.636 147 HB2 ARG 22 HB2 ARG 22 -28.660 14.648 -3.972 148 HB3 ARG 22 HB1 ARG 22 -27.454 13.533 -4.596 149 HG2 ARG 22 HG2 ARG 22 -26.114 13.746 -2.683 150 HG3 ARG 22 HG1 ARG 22 -26.982 15.185 -2.141 151 HD2 ARG 22 HD2 ARG 22 -28.265 12.484 -2.412 152 HD3 ARG 22 HD1 ARG 22 -27.521 13.052 -0.918 153 HE ARG 22 HE ARG 22 -29.162 15.026 -1.282 154 HH11 ARG 22 HH11 ARG 22 -29.841 11.671 -2.050 155 HH12 ARG 22 HH12 ARG 22 -31.514 11.775 -1.629 156 HH21 ARG 22 HH21 ARG 22 -31.380 15.174 -0.729 157 HH22 ARG 22 HH22 ARG 22 -32.395 13.776 -0.871 158 H ALA 23 HN ALA 23 -28.906 16.533 -5.994 159 HA ALA 23 HA ALA 23 -28.805 15.069 -8.387 160 HB1 ALA 23 HB1 ALA 23 -30.424 16.672 -9.246 161 HB2 ALA 23 HB2 ALA 23 -30.061 17.769 -7.914 162 HB3 ALA 23 HB3 ALA 23 -30.820 16.210 -7.591 163 H HIS 24 HN HIS 24 -26.973 17.796 -7.349 164 HA HIS 24 HA HIS 24 -26.206 18.502 -10.069 165 HB2 HIS 24 HB2 HIS 24 -25.853 19.810 -7.395 166 HB3 HIS 24 HB1 HIS 24 -24.853 20.284 -8.760 167 HD1 HIS 24 HD1 HIS 24 -25.776 22.433 -9.618 168 HD2 HIS 24 HD2 HIS 24 -28.777 19.749 -8.575 169 HE1 HIS 24 HE1 HIS 24 -27.931 23.555 -10.246 170 H VAL 25 HN VAL 25 -25.211 16.395 -7.680 171 HA VAL 25 HA VAL 25 -22.423 16.556 -8.567 172 HB VAL 25 HB VAL 25 -23.047 16.604 -6.038 173 HG11 VAL 25 HG11 VAL 25 -24.564 14.651 -6.133 174 HG12 VAL 25 HG12 VAL 25 -23.283 14.487 -4.933 175 HG13 VAL 25 HG13 VAL 25 -23.164 13.626 -6.466 176 HG21 VAL 25 HG21 VAL 25 -21.001 15.389 -5.450 177 HG22 VAL 25 HG22 VAL 25 -20.769 16.439 -6.848 178 HG23 VAL 25 HG23 VAL 25 -20.953 14.699 -7.072 179 H LYS 26 HN LYS 26 -21.347 14.608 -9.198 180 HA LYS 26 HA LYS 26 -23.234 12.635 -10.269 181 HB2 LYS 26 HB2 LYS 26 -21.946 13.921 -11.944 182 HB3 LYS 26 HB1 LYS 26 -20.454 13.332 -11.234 183 HG2 LYS 26 HG2 LYS 26 -20.813 11.150 -12.000 184 HG3 LYS 26 HG1 LYS 26 -22.523 11.451 -12.313 185 HD2 LYS 26 HD2 LYS 26 -21.243 11.360 -14.399 186 HD3 LYS 26 HD1 LYS 26 -21.940 12.956 -14.138 187 HE2 LYS 26 HE2 LYS 26 -19.688 13.212 -14.954 188 HE3 LYS 26 HE1 LYS 26 -19.743 13.724 -13.271 189 HZ1 LYS 26 HZ1 LYS 26 -18.863 11.029 -14.134 190 HZ2 LYS 26 HZ2 LYS 26 -18.724 11.711 -12.586 191 HZ3 LYS 26 HZ3 LYS 26 -17.806 12.319 -13.867 192 H GLU 27 HN GLU 27 -20.130 13.006 -8.600 193 HA GLU 27 HA GLU 27 -20.609 10.662 -7.069 194 HB2 GLU 27 HB2 GLU 27 -18.736 9.297 -7.785 195 HB3 GLU 27 HB1 GLU 27 -19.802 9.604 -9.147 196 HG2 GLU 27 HG2 GLU 27 -17.584 11.482 -8.831 197 HG3 GLU 27 HG1 GLU 27 -17.136 9.824 -9.241 198 H TYR 28 HN TYR 28 -18.136 10.072 -6.123 199 HA TYR 28 HA TYR 28 -16.855 12.535 -5.315 200 HB2 TYR 28 HB2 TYR 28 -17.024 12.045 -2.957 201 HB3 TYR 28 HB1 TYR 28 -18.654 12.016 -3.614 202 HD1 TYR 28 HD1 TYR 28 -16.066 10.129 -1.940 203 HD2 TYR 28 HD2 TYR 28 -19.779 9.802 -3.990 204 HE1 TYR 28 HE1 TYR 28 -16.374 7.879 -1.010 205 HE2 TYR 28 HE2 TYR 28 -20.097 7.547 -3.056 206 HH TYR 28 HH TYR 28 -18.240 6.326 -0.523 207 H PHE 29 HN PHE 29 -14.760 12.081 -4.353 208 HA PHE 29 HA PHE 29 -13.744 9.379 -4.714 209 HB2 PHE 29 HB2 PHE 29 -12.889 11.749 -6.347 210 HB3 PHE 29 HB1 PHE 29 -11.803 10.386 -6.084 211 HD1 PHE 29 HD1 PHE 29 -14.032 11.814 -8.297 212 HD2 PHE 29 HD2 PHE 29 -13.030 8.038 -6.625 213 HE1 PHE 29 HE1 PHE 29 -15.048 10.692 -10.234 214 HE2 PHE 29 HE2 PHE 29 -14.046 6.907 -8.557 215 HZ PHE 29 HZ PHE 29 -15.054 8.235 -10.368 216 H TYR 30 HN TYR 30 -11.652 9.118 -3.738 217 HA TYR 30 HA TYR 30 -11.198 11.118 -1.660 218 HB2 TYR 30 HB2 TYR 30 -10.187 8.283 -1.947 219 HB3 TYR 30 HB1 TYR 30 -9.765 9.358 -0.620 220 HD1 TYR 30 HD1 TYR 30 -12.368 7.264 -2.078 221 HD2 TYR 30 HD2 TYR 30 -11.441 9.974 1.063 222 HE1 TYR 30 HE1 TYR 30 -14.384 6.547 -0.874 223 HE2 TYR 30 HE2 TYR 30 -13.455 9.260 2.279 224 HH TYR 30 HH TYR 30 -15.243 6.501 1.393 225 H THR 31 HN THR 31 -9.039 11.825 -1.174 226 HA THR 31 HA THR 31 -7.596 12.594 -3.464 227 HB THR 31 HB THR 31 -5.832 13.277 -1.688 228 HG1 THR 31 HG1 THR 31 -6.254 12.724 0.299 229 HG21 THR 31 HG21 THR 31 -7.139 15.228 -1.070 230 HG22 THR 31 HG22 THR 31 -8.632 14.395 -1.506 231 HG23 THR 31 HG23 THR 31 -7.454 14.808 -2.754 232 H SER 32 HN SER 32 -5.158 12.230 -3.628 233 HA SER 32 HA SER 32 -4.774 9.448 -4.058 234 HB2 SER 32 HB2 SER 32 -2.819 11.736 -4.251 235 HB3 SER 32 HB1 SER 32 -2.558 10.112 -4.887 236 HG SER 32 HG SER 32 -3.343 11.159 -6.596 237 H SER 33 HN SER 33 -2.948 8.192 -3.257 238 HA SER 33 HA SER 33 -2.792 8.297 -0.420 239 HB2 SER 33 HB2 SER 33 -1.176 6.375 -0.768 240 HB3 SER 33 HB1 SER 33 -2.803 6.153 -1.413 241 HG SER 33 HG SER 33 -1.069 5.550 -2.856 242 H LYS 34 HN LYS 34 -1.186 10.072 -2.678 243 HA LYS 34 HA LYS 34 1.359 10.174 -1.273 244 HB2 LYS 34 HB2 LYS 34 0.353 11.683 -3.692 245 HB3 LYS 34 HB1 LYS 34 1.962 11.860 -3.011 246 HG2 LYS 34 HG2 LYS 34 0.819 9.327 -4.166 247 HG3 LYS 34 HG1 LYS 34 1.935 10.418 -4.986 248 HD2 LYS 34 HD2 LYS 34 3.559 10.017 -3.123 249 HD3 LYS 34 HD1 LYS 34 2.457 8.787 -2.503 250 HE2 LYS 34 HE2 LYS 34 3.758 8.792 -5.225 251 HE3 LYS 34 HE1 LYS 34 4.241 7.797 -3.854 252 HZ1 LYS 34 HZ1 LYS 34 1.585 7.680 -5.180 253 HZ2 LYS 34 HZ2 LYS 34 2.129 6.673 -3.937 254 HZ3 LYS 34 HZ3 LYS 34 2.856 6.605 -5.455 255 H CYS 35 HN CYS 35 -1.649 11.465 -0.904 256 HA CYS 35 HA CYS 35 -0.898 14.143 -0.147 257 HB2 CYS 35 HB2 CYS 35 -3.492 12.626 0.190 258 HB3 CYS 35 HB1 CYS 35 -3.269 14.334 0.549 259 H SER 36 HN SER 36 -1.055 14.990 1.977 260 HA SER 36 HA SER 36 -0.337 13.076 4.019 261 HB2 SER 36 HB2 SER 36 -0.483 16.101 4.099 262 HB3 SER 36 HB1 SER 36 0.150 15.077 5.389 263 HG SER 36 HG SER 36 1.815 14.453 4.075 264 H ASN 37 HN ASN 37 -2.992 15.109 3.106 265 HA ASN 37 HA ASN 37 -4.512 14.161 5.443 266 HB2 ASN 37 HB2 ASN 37 -4.259 16.583 5.513 267 HB3 ASN 37 HB1 ASN 37 -4.834 16.723 3.856 268 HD21 ASN 37 HD21 ASN 37 -7.029 16.525 3.433 269 HD22 ASN 37 HD22 ASN 37 -8.218 16.548 4.686 270 H LEU 38 HN LEU 38 -6.503 13.256 5.087 271 HA LEU 38 HA LEU 38 -7.031 12.405 2.371 272 HB2 LEU 38 HB2 LEU 38 -7.188 10.777 4.184 273 HB3 LEU 38 HB1 LEU 38 -8.419 11.747 4.968 274 HG LEU 38 HG LEU 38 -9.903 11.368 3.004 275 HD11 LEU 38 HD11 LEU 38 -8.239 10.910 1.316 276 HD12 LEU 38 HD12 LEU 38 -9.337 9.538 1.467 277 HD13 LEU 38 HD13 LEU 38 -7.726 9.460 2.178 278 HD21 LEU 38 HD21 LEU 38 -10.457 9.064 3.577 279 HD22 LEU 38 HD22 LEU 38 -10.114 10.024 5.017 280 HD23 LEU 38 HD23 LEU 38 -8.907 8.893 4.401 281 H ALA 39 HN ALA 39 -8.371 13.413 1.075 282 HA ALA 39 HA ALA 39 -10.554 15.000 2.229 283 HB1 ALA 39 HB1 ALA 39 -10.185 16.732 0.512 284 HB2 ALA 39 HB2 ALA 39 -8.744 15.868 -0.028 285 HB3 ALA 39 HB3 ALA 39 -8.800 16.563 1.591 286 H VAL 40 HN VAL 40 -12.297 15.400 0.650 287 HA VAL 40 HA VAL 40 -12.470 13.159 -1.239 288 HB VAL 40 HB VAL 40 -14.809 14.551 0.067 289 HG11 VAL 40 HG11 VAL 40 -15.342 13.506 -2.046 290 HG12 VAL 40 HG12 VAL 40 -16.081 12.616 -0.714 291 HG13 VAL 40 HG13 VAL 40 -14.630 11.989 -1.496 292 HG21 VAL 40 HG21 VAL 40 -13.600 11.892 0.806 293 HG22 VAL 40 HG22 VAL 40 -15.007 12.654 1.552 294 HG23 VAL 40 HG23 VAL 40 -13.410 13.376 1.737 295 H VAL 41 HN VAL 41 -12.847 13.597 -3.257 296 HA VAL 41 HA VAL 41 -13.313 16.388 -4.012 297 HB VAL 41 HB VAL 41 -12.084 14.169 -5.659 298 HG11 VAL 41 HG11 VAL 41 -11.494 15.964 -7.215 299 HG12 VAL 41 HG12 VAL 41 -12.367 17.118 -6.207 300 HG13 VAL 41 HG13 VAL 41 -13.241 15.817 -7.016 301 HG21 VAL 41 HG21 VAL 41 -10.774 16.519 -4.289 302 HG22 VAL 41 HG22 VAL 41 -9.969 15.382 -5.371 303 HG23 VAL 41 HG23 VAL 41 -10.613 14.825 -3.826 304 H PHE 42 HN PHE 42 -15.331 16.738 -4.557 305 HA PHE 42 HA PHE 42 -16.970 14.555 -5.559 306 HB2 PHE 42 HB2 PHE 42 -17.634 17.359 -4.688 307 HB3 PHE 42 HB1 PHE 42 -18.817 16.276 -5.410 308 HD1 PHE 42 HD1 PHE 42 -16.785 16.994 -2.479 309 HD2 PHE 42 HD2 PHE 42 -19.619 14.342 -4.210 310 HE1 PHE 42 HE1 PHE 42 -17.213 16.008 -0.264 311 HE2 PHE 42 HE2 PHE 42 -20.062 13.358 -2.007 312 HZ PHE 42 HZ PHE 42 -18.867 14.186 -0.029 313 H VAL 43 HN VAL 43 -17.660 14.354 -7.558 314 HA VAL 43 HA VAL 43 -16.756 16.349 -9.505 315 HB VAL 43 HB VAL 43 -17.680 13.500 -9.947 316 HG11 VAL 43 HG11 VAL 43 -16.863 13.779 -12.217 317 HG12 VAL 43 HG12 VAL 43 -16.456 15.467 -11.878 318 HG13 VAL 43 HG13 VAL 43 -18.140 14.939 -11.853 319 HG21 VAL 43 HG21 VAL 43 -14.898 14.669 -9.999 320 HG22 VAL 43 HG22 VAL 43 -15.325 13.017 -10.444 321 HG23 VAL 43 HG23 VAL 43 -15.544 13.568 -8.783 322 H THR 44 HN THR 44 -18.250 17.709 -10.177 323 HA THR 44 HA THR 44 -21.028 17.221 -9.590 324 HB THR 44 HB THR 44 -21.411 19.484 -10.496 325 HG1 THR 44 HG1 THR 44 -18.597 19.663 -10.807 326 HG21 THR 44 HG21 THR 44 -20.100 20.704 -8.829 327 HG22 THR 44 HG22 THR 44 -19.048 19.304 -8.626 328 HG23 THR 44 HG23 THR 44 -20.745 19.209 -8.149 329 H ARG 45 HN ARG 45 -22.711 17.707 -11.254 330 HA ARG 45 HA ARG 45 -22.403 16.025 -13.535 331 HB2 ARG 45 HB2 ARG 45 -24.550 18.080 -12.934 332 HB3 ARG 45 HB1 ARG 45 -24.656 16.826 -14.159 333 HG2 ARG 45 HG2 ARG 45 -24.338 16.245 -11.227 334 HG3 ARG 45 HG1 ARG 45 -25.902 16.387 -12.027 335 HD2 ARG 45 HD2 ARG 45 -25.386 14.539 -13.472 336 HD3 ARG 45 HD1 ARG 45 -23.738 14.458 -12.852 337 HE ARG 45 HE ARG 45 -25.117 14.089 -10.617 338 HH11 ARG 45 HH11 ARG 45 -25.573 12.639 -13.781 339 HH12 ARG 45 HH12 ARG 45 -26.217 11.163 -13.152 340 HH21 ARG 45 HH21 ARG 45 -25.947 12.149 -9.781 341 HH22 ARG 45 HH22 ARG 45 -26.425 10.877 -10.852 342 H ARG 46 HN ARG 46 -21.496 19.162 -12.880 343 HA ARG 46 HA ARG 46 -21.657 20.160 -15.604 344 HB2 ARG 46 HB2 ARG 46 -22.125 21.611 -13.618 345 HB3 ARG 46 HB1 ARG 46 -20.451 21.421 -13.128 346 HG2 ARG 46 HG2 ARG 46 -19.740 22.523 -15.209 347 HG3 ARG 46 HG1 ARG 46 -21.435 22.747 -15.647 348 HD2 ARG 46 HD2 ARG 46 -21.784 24.091 -13.641 349 HD3 ARG 46 HD1 ARG 46 -20.101 23.845 -13.174 350 HE ARG 46 HE ARG 46 -20.151 24.941 -15.743 351 HH11 ARG 46 HH11 ARG 46 -20.947 25.889 -12.450 352 HH12 ARG 46 HH12 ARG 46 -20.623 27.567 -12.724 353 HH21 ARG 46 HH21 ARG 46 -19.744 27.172 -16.103 354 HH22 ARG 46 HH22 ARG 46 -19.948 28.295 -14.804 355 H ASN 47 HN ASN 47 -19.722 18.088 -13.995 356 HA ASN 47 HA ASN 47 -17.739 17.111 -14.418 357 HB2 ASN 47 HB2 ASN 47 -17.678 19.046 -16.716 358 HB3 ASN 47 HB1 ASN 47 -16.297 18.019 -16.348 359 HD21 ASN 47 HD21 ASN 47 -19.528 18.151 -17.533 360 HD22 ASN 47 HD22 ASN 47 -19.599 16.532 -18.125 361 H ARG 48 HN ARG 48 -18.169 19.597 -12.778 362 HA ARG 48 HA ARG 48 -15.375 20.501 -12.613 363 HB2 ARG 48 HB2 ARG 48 -16.946 22.351 -12.633 364 HB3 ARG 48 HB1 ARG 48 -17.887 21.620 -11.337 365 HG2 ARG 48 HG2 ARG 48 -15.842 21.831 -9.876 366 HG3 ARG 48 HG1 ARG 48 -15.119 22.795 -11.160 367 HD2 ARG 48 HD2 ARG 48 -17.752 23.458 -9.853 368 HD3 ARG 48 HD1 ARG 48 -16.206 24.094 -9.299 369 HE ARG 48 HE ARG 48 -16.293 24.711 -11.956 370 HH11 ARG 48 HH11 ARG 48 -18.310 25.375 -9.166 371 HH12 ARG 48 HH12 ARG 48 -18.908 26.873 -9.790 372 HH21 ARG 48 HH21 ARG 48 -17.065 26.714 -12.781 373 HH22 ARG 48 HH22 ARG 48 -18.200 27.639 -11.849 374 H GLN 49 HN GLN 49 -14.111 19.840 -11.008 375 HA GLN 49 HA GLN 49 -15.308 18.087 -9.009 376 HB2 GLN 49 HB2 GLN 49 -12.380 18.567 -9.553 377 HB3 GLN 49 HB1 GLN 49 -13.095 17.261 -8.616 378 HG2 GLN 49 HG2 GLN 49 -14.217 16.481 -10.706 379 HG3 GLN 49 HG1 GLN 49 -13.282 17.685 -11.586 380 HE21 GLN 49 HE21 GLN 49 -12.115 15.857 -8.857 381 HE22 GLN 49 HE22 GLN 49 -10.943 14.929 -9.729 382 H VAL 50 HN VAL 50 -14.860 18.373 -6.778 383 HA VAL 50 HA VAL 50 -13.828 21.007 -5.994 384 HB VAL 50 HB VAL 50 -16.306 21.155 -6.218 385 HG11 VAL 50 HG11 VAL 50 -16.364 19.098 -4.041 386 HG12 VAL 50 HG12 VAL 50 -16.838 18.860 -5.721 387 HG13 VAL 50 HG13 VAL 50 -17.757 19.966 -4.693 388 HG21 VAL 50 HG21 VAL 50 -16.752 22.111 -3.996 389 HG22 VAL 50 HG22 VAL 50 -15.183 22.608 -4.628 390 HG23 VAL 50 HG23 VAL 50 -15.279 21.354 -3.390 391 H CYS 51 HN CYS 51 -13.094 21.103 -3.803 392 HA CYS 51 HA CYS 51 -12.499 18.466 -2.668 393 HB2 CYS 51 HB2 CYS 51 -10.512 19.695 -3.082 394 HB3 CYS 51 HB1 CYS 51 -11.182 21.158 -2.367 395 H ALA 52 HN ALA 52 -13.176 17.890 -0.697 396 HA ALA 52 HA ALA 52 -14.123 19.884 1.167 397 HB1 ALA 52 HB1 ALA 52 -15.932 17.668 0.210 398 HB2 ALA 52 HB2 ALA 52 -16.113 19.382 -0.166 399 HB3 ALA 52 HB3 ALA 52 -16.289 18.820 1.497 400 H ASN 53 HN ASN 53 -13.826 19.305 3.224 401 HA ASN 53 HA ASN 53 -12.251 17.021 3.831 402 HB2 ASN 53 HB2 ASN 53 -13.686 18.966 5.656 403 HB3 ASN 53 HB1 ASN 53 -12.557 17.737 6.209 404 HD21 ASN 53 HD21 ASN 53 -10.764 18.072 3.932 405 HD22 ASN 53 HD22 ASN 53 -9.943 19.568 4.196 406 HA PRO 54 HA PRO 54 -15.502 14.015 4.211 407 HB2 PRO 54 HB2 PRO 54 -14.124 12.174 5.686 408 HB3 PRO 54 HB1 PRO 54 -13.906 12.392 3.945 409 HG2 PRO 54 HG2 PRO 54 -12.270 13.481 6.207 410 HG3 PRO 54 HG1 PRO 54 -11.722 12.735 4.692 411 HD2 PRO 54 HD2 PRO 54 -11.723 15.391 5.012 412 HD3 PRO 54 HD1 PRO 54 -12.149 14.652 3.454 413 H GLU 55 HN GLU 55 -14.129 15.721 6.797 414 HA GLU 55 HA GLU 55 -15.618 14.416 8.874 415 HB2 GLU 55 HB2 GLU 55 -14.078 17.009 8.925 416 HB3 GLU 55 HB1 GLU 55 -14.705 16.156 10.331 417 HG2 GLU 55 HG2 GLU 55 -13.281 14.228 9.754 418 HG3 GLU 55 HG1 GLU 55 -12.605 15.162 8.422 419 H LYS 56 HN LYS 56 -16.405 16.663 6.506 420 HA LYS 56 HA LYS 56 -18.314 18.173 8.056 421 HB2 LYS 56 HB2 LYS 56 -17.974 17.941 5.061 422 HB3 LYS 56 HB1 LYS 56 -19.044 19.078 5.869 423 HG2 LYS 56 HG2 LYS 56 -16.038 19.009 6.117 424 HG3 LYS 56 HG1 LYS 56 -16.966 20.130 5.120 425 HD2 LYS 56 HD2 LYS 56 -18.049 21.020 7.124 426 HD3 LYS 56 HD1 LYS 56 -17.140 19.884 8.124 427 HE2 LYS 56 HE2 LYS 56 -15.047 20.911 7.364 428 HE3 LYS 56 HE1 LYS 56 -15.968 22.057 6.393 429 HZ1 LYS 56 HZ1 LYS 56 -16.148 21.803 9.344 430 HZ2 LYS 56 HZ2 LYS 56 -16.934 22.955 8.393 431 HZ3 LYS 56 HZ3 LYS 56 -15.252 22.976 8.526 432 H LYS 57 HN LYS 57 -20.474 17.871 8.183 433 HA LYS 57 HA LYS 57 -21.487 15.273 7.992 434 HB2 LYS 57 HB2 LYS 57 -22.397 17.027 9.489 435 HB3 LYS 57 HB1 LYS 57 -23.054 17.858 8.088 436 HG2 LYS 57 HG2 LYS 57 -24.804 16.620 9.178 437 HG3 LYS 57 HG1 LYS 57 -24.458 15.880 7.613 438 HD2 LYS 57 HD2 LYS 57 -23.028 14.214 8.771 439 HD3 LYS 57 HD1 LYS 57 -23.509 14.921 10.313 440 HE2 LYS 57 HE2 LYS 57 -25.335 13.638 8.286 441 HE3 LYS 57 HE1 LYS 57 -24.819 12.936 9.816 442 HZ1 LYS 57 HZ1 LYS 57 -25.951 14.763 10.964 443 HZ2 LYS 57 HZ2 LYS 57 -27.015 13.858 10.018 444 HZ3 LYS 57 HZ3 LYS 57 -26.494 15.367 9.483 445 H TRP 58 HN TRP 58 -21.643 17.988 5.769 446 HA TRP 58 HA TRP 58 -23.585 17.004 4.000 447 HB2 TRP 58 HB2 TRP 58 -21.229 18.552 2.977 448 HB3 TRP 58 HB1 TRP 58 -22.927 18.706 2.548 449 HD1 TRP 58 HD1 TRP 58 -24.296 19.427 5.189 450 HE1 TRP 58 HE1 TRP 58 -23.750 21.601 6.458 451 HE3 TRP 58 HE3 TRP 58 -19.684 20.377 3.214 452 HZ2 TRP 58 HZ2 TRP 58 -21.643 23.469 6.599 453 HZ3 TRP 58 HZ3 TRP 58 -18.468 22.379 3.967 454 HH2 TRP 58 HH2 TRP 58 -19.428 23.891 5.623 455 H VAL 59 HN VAL 59 -20.131 16.567 4.220 456 HA VAL 59 HA VAL 59 -19.849 15.192 1.760 457 HB VAL 59 HB VAL 59 -18.021 15.227 4.176 458 HG11 VAL 59 HG11 VAL 59 -17.486 13.338 2.770 459 HG12 VAL 59 HG12 VAL 59 -16.262 14.591 2.543 460 HG13 VAL 59 HG13 VAL 59 -17.516 14.357 1.334 461 HG21 VAL 59 HG21 VAL 59 -16.798 16.952 2.999 462 HG22 VAL 59 HG22 VAL 59 -18.482 17.445 3.205 463 HG23 VAL 59 HG23 VAL 59 -17.921 16.855 1.644 464 H GLN 60 HN GLN 60 -20.342 14.231 5.092 465 HA GLN 60 HA GLN 60 -20.016 11.458 4.702 466 HB2 GLN 60 HB2 GLN 60 -21.598 13.012 6.753 467 HB3 GLN 60 HB1 GLN 60 -21.353 11.273 6.822 468 HG2 GLN 60 HG2 GLN 60 -19.089 13.239 6.764 469 HG3 GLN 60 HG1 GLN 60 -19.833 12.679 8.257 470 HE21 GLN 60 HE21 GLN 60 -17.842 11.844 5.559 471 HE22 GLN 60 HE22 GLN 60 -17.280 10.331 6.172 472 H GLU 61 HN GLU 61 -22.828 13.584 4.651 473 HA GLU 61 HA GLU 61 -24.727 11.551 4.200 474 HB2 GLU 61 HB2 GLU 61 -24.732 14.502 3.626 475 HB3 GLU 61 HB1 GLU 61 -26.127 13.467 3.344 476 HG2 GLU 61 HG2 GLU 61 -24.774 13.632 5.999 477 HG3 GLU 61 HG1 GLU 61 -26.047 14.751 5.520 478 H TYR 62 HN TYR 62 -22.916 13.660 2.047 479 HA TYR 62 HA TYR 62 -24.248 12.685 -0.268 480 HB2 TYR 62 HB2 TYR 62 -21.847 14.431 0.144 481 HB3 TYR 62 HB1 TYR 62 -22.247 13.829 -1.464 482 HD1 TYR 62 HD1 TYR 62 -24.278 15.167 1.384 483 HD2 TYR 62 HD2 TYR 62 -23.276 15.469 -2.736 484 HE1 TYR 62 HE1 TYR 62 -25.941 16.948 1.125 485 HE2 TYR 62 HE2 TYR 62 -24.939 17.260 -3.005 486 HH TYR 62 HH TYR 62 -26.324 18.890 -0.446 487 H ILE 63 HN ILE 63 -21.295 11.800 1.399 488 HA ILE 63 HA ILE 63 -20.367 9.994 -0.570 489 HB ILE 63 HB ILE 63 -19.916 10.205 2.399 490 HG12 ILE 63 HG12 ILE 63 -18.045 10.392 0.029 491 HG13 ILE 63 HG11 ILE 63 -18.733 11.758 0.902 492 HG21 ILE 63 HG21 ILE 63 -19.972 7.824 1.958 493 HG22 ILE 63 HG22 ILE 63 -18.319 8.344 2.294 494 HG23 ILE 63 HG23 ILE 63 -18.822 8.017 0.634 495 HD11 ILE 63 HD11 ILE 63 -16.441 11.334 1.569 496 HD12 ILE 63 HD12 ILE 63 -16.871 9.693 2.048 497 HD13 ILE 63 HD13 ILE 63 -17.551 11.073 2.912 498 H ASN 64 HN ASN 64 -22.385 9.551 2.300 499 HA ASN 64 HA ASN 64 -22.757 6.791 1.943 500 HB2 ASN 64 HB2 ASN 64 -23.465 7.100 4.045 501 HB3 ASN 64 HB1 ASN 64 -23.625 8.830 3.789 502 HD21 ASN 64 HD21 ASN 64 -25.592 9.674 3.286 503 HD22 ASN 64 HD22 ASN 64 -27.068 8.790 3.457 504 H TYR 65 HN TYR 65 -24.489 9.588 0.739 505 HA TYR 65 HA TYR 65 -26.649 8.021 -0.316 506 HB2 TYR 65 HB2 TYR 65 -25.905 10.894 -0.404 507 HB3 TYR 65 HB1 TYR 65 -26.966 10.291 -1.672 508 HD1 TYR 65 HD1 TYR 65 -26.803 11.528 1.659 509 HD2 TYR 65 HD2 TYR 65 -29.071 9.002 -0.903 510 HE1 TYR 65 HE1 TYR 65 -28.732 11.736 3.167 511 HE2 TYR 65 HE2 TYR 65 -31.005 9.204 0.598 512 HH TYR 65 HH TYR 65 -31.147 11.515 3.098 513 H LEU 66 HN LEU 66 -23.679 9.391 -1.652 514 HA LEU 66 HA LEU 66 -24.401 8.642 -4.326 515 HB2 LEU 66 HB2 LEU 66 -21.790 9.583 -3.161 516 HB3 LEU 66 HB1 LEU 66 -22.010 9.210 -4.858 517 HG LEU 66 HG LEU 66 -23.510 11.337 -3.343 518 HD11 LEU 66 HD11 LEU 66 -22.109 12.907 -4.581 519 HD12 LEU 66 HD12 LEU 66 -21.210 11.561 -5.277 520 HD13 LEU 66 HD13 LEU 66 -21.142 11.863 -3.542 521 HD21 LEU 66 HD21 LEU 66 -23.389 10.686 -6.290 522 HD22 LEU 66 HD22 LEU 66 -24.221 12.065 -5.572 523 HD23 LEU 66 HD23 LEU 66 -24.772 10.429 -5.227 524 H GLU 67 HN GLU 67 -22.719 7.084 -1.707 525 HA GLU 67 HA GLU 67 -21.504 5.098 -3.361 526 HB2 GLU 67 HB2 GLU 67 -20.867 3.989 -1.328 527 HB3 GLU 67 HB1 GLU 67 -20.676 5.721 -1.085 528 HG2 GLU 67 HG2 GLU 67 -22.645 5.838 0.221 529 HG3 GLU 67 HG1 GLU 67 -23.065 4.172 -0.163 530 H MET 68 HN MET 68 -24.579 5.448 -1.758 531 HA MET 68 HA MET 68 -25.349 2.703 -2.341 532 HB2 MET 68 HB2 MET 68 -27.456 3.236 -1.228 533 HB3 MET 68 HB1 MET 68 -26.094 3.697 -0.220 534 HG2 MET 68 HG2 MET 68 -26.387 6.035 -0.940 535 HG3 MET 68 HG1 MET 68 -27.788 5.540 -1.890 536 HE1 MET 68 HE1 MET 68 -30.074 4.702 -0.835 537 HE2 MET 68 HE2 MET 68 -30.309 4.420 0.890 538 HE3 MET 68 HE3 MET 68 -29.192 3.408 -0.025 539 H SER 69 HN SER 69 -25.426 5.729 -3.821 540 HA SER 69 HA SER 69 -26.262 6.530 -5.763 541 HB2 SER 69 HB2 SER 69 -25.245 4.397 -6.615 542 HB3 SER 69 HB1 SER 69 -26.827 3.638 -6.453 543 HG SER 69 HG SER 69 -26.300 4.473 -8.580 544 H1 MET 1 HT1 MET 1 -13.142 22.756 -17.713 545 HA MET 1 HA MET 1 -11.806 22.171 -15.817 546 HB2 MET 1 HB2 MET 1 -9.726 23.953 -17.107 547 HB3 MET 1 HB1 MET 1 -9.605 23.205 -15.522 548 HG2 MET 1 HG2 MET 1 -9.585 21.002 -16.551 549 HG3 MET 1 HG1 MET 1 -9.741 21.736 -18.145 550 HE1 MET 1 HE1 MET 1 -7.471 19.653 -17.542 551 HE2 MET 1 HE2 MET 1 -6.066 20.445 -18.256 552 HE3 MET 1 HE3 MET 1 -7.621 20.495 -19.085 553 H SER 2 HN SER 2 -13.237 23.224 -14.602 554 HA SER 2 HA SER 2 -13.146 26.155 -14.610 555 HB2 SER 2 HB2 SER 2 -15.305 25.147 -15.449 556 HB3 SER 2 HB1 SER 2 -15.519 24.422 -13.857 557 HG SER 2 HG SER 2 -15.480 27.161 -14.567 558 HA PRO 3 HA PRO 3 -11.842 24.852 -10.456 559 HB2 PRO 3 HB2 PRO 3 -9.771 26.579 -10.226 560 HB3 PRO 3 HB1 PRO 3 -9.639 25.032 -11.068 561 HG2 PRO 3 HG2 PRO 3 -9.731 27.764 -12.169 562 HG3 PRO 3 HG1 PRO 3 -9.084 26.282 -12.887 563 HD2 PRO 3 HD2 PRO 3 -11.600 27.537 -13.410 564 HD3 PRO 3 HD1 PRO 3 -10.979 26.022 -14.089 565 H TYR 4 HN TYR 4 -13.282 25.589 -9.037 566 HA TYR 4 HA TYR 4 -13.017 28.157 -7.888 567 HB2 TYR 4 HB2 TYR 4 -14.267 28.888 -9.865 568 HB3 TYR 4 HB1 TYR 4 -15.513 27.687 -9.544 569 HD1 TYR 4 HD1 TYR 4 -13.841 30.622 -7.957 570 HD2 TYR 4 HD2 TYR 4 -17.393 28.309 -8.327 571 HE1 TYR 4 HE1 TYR 4 -15.039 32.249 -6.559 572 HE2 TYR 4 HE2 TYR 4 -18.602 29.933 -6.933 573 HH TYR 4 HH TYR 4 -17.353 32.993 -6.154 574 H GLY 5 HN GLY 5 -13.701 28.069 -5.831 575 HA2 GLY 5 HA2 GLY 5 -15.236 27.489 -4.121 576 HA3 GLY 5 HA1 GLY 5 -15.800 26.161 -5.119 577 H SER 6 HN SER 6 -12.390 26.623 -4.803 578 HA SER 6 HA SER 6 -10.733 25.466 -3.825 579 HB2 SER 6 HB2 SER 6 -12.845 24.691 -1.799 580 HB3 SER 6 HB1 SER 6 -11.113 24.402 -1.623 581 HG SER 6 HG SER 6 -10.773 26.474 -1.258 582 H ASP 7 HN ASP 7 -10.349 24.088 -5.438 583 HA ASP 7 HA ASP 7 -11.708 21.491 -5.302 584 HB2 ASP 7 HB2 ASP 7 -11.833 21.379 -7.666 585 HB3 ASP 7 HB1 ASP 7 -12.432 22.966 -7.212 586 H THR 8 HN THR 8 -10.323 20.131 -7.173 587 HA THR 8 HA THR 8 -8.188 19.030 -5.898 588 HB THR 8 HB THR 8 -7.479 18.495 -8.404 589 HG1 THR 8 HG1 THR 8 -9.192 20.214 -8.962 590 HG21 THR 8 HG21 THR 8 -9.141 16.675 -8.380 591 HG22 THR 8 HG22 THR 8 -9.999 17.491 -7.071 592 HG23 THR 8 HG23 THR 8 -8.369 16.874 -6.807 593 H THR 9 HN THR 9 -6.398 19.976 -5.203 594 HA THR 9 HA THR 9 -5.166 22.054 -6.832 595 HB THR 9 HB THR 9 -4.869 21.314 -3.914 596 HG1 THR 9 HG1 THR 9 -6.779 22.507 -4.615 597 HG21 THR 9 HG21 THR 9 -3.530 23.560 -5.427 598 HG22 THR 9 HG22 THR 9 -2.726 22.102 -4.849 599 HG23 THR 9 HG23 THR 9 -3.406 23.248 -3.696 600 HA PRO 10 HA PRO 10 -1.964 19.118 -7.905 601 HB2 PRO 10 HB2 PRO 10 -0.183 20.922 -8.915 602 HB3 PRO 10 HB1 PRO 10 -1.588 20.344 -9.818 603 HG2 PRO 10 HG2 PRO 10 -1.223 22.899 -8.310 604 HG3 PRO 10 HG1 PRO 10 -2.023 22.621 -9.867 605 HD2 PRO 10 HD2 PRO 10 -3.391 22.939 -7.546 606 HD3 PRO 10 HD1 PRO 10 -3.982 21.926 -8.878 607 H CYS 11 HN CYS 11 -0.957 18.309 -6.194 608 HA CYS 11 HA CYS 11 1.000 19.981 -4.798 609 HB2 CYS 11 HB2 CYS 11 -1.230 19.711 -3.553 610 HB3 CYS 11 HB1 CYS 11 -0.789 18.018 -3.374 611 H CYS 12 HN CYS 12 2.305 18.413 -3.298 612 HA CYS 12 HA CYS 12 2.507 15.704 -3.844 613 HB2 CYS 12 HB2 CYS 12 4.680 15.738 -5.142 614 HB3 CYS 12 HB1 CYS 12 3.232 16.150 -6.051 615 H PHE 13 HN PHE 13 4.346 14.711 -2.844 616 HA PHE 13 HA PHE 13 6.079 16.357 -1.206 617 HB2 PHE 13 HB2 PHE 13 3.941 16.050 0.096 618 HB3 PHE 13 HB1 PHE 13 4.229 14.316 0.066 619 HD1 PHE 13 HD1 PHE 13 6.032 17.452 0.984 620 HD2 PHE 13 HD2 PHE 13 5.182 13.398 1.951 621 HE1 PHE 13 HE1 PHE 13 7.347 17.672 3.048 622 HE2 PHE 13 HE2 PHE 13 6.498 13.610 4.017 623 HZ PHE 13 HZ PHE 13 7.582 15.752 4.568 624 H ALA 14 HN ALA 14 6.676 14.798 -3.384 625 HA ALA 14 HA ALA 14 8.305 12.717 -2.213 626 HB1 ALA 14 HB1 ALA 14 6.340 12.166 -4.443 627 HB2 ALA 14 HB2 ALA 14 6.238 11.538 -2.799 628 HB3 ALA 14 HB3 ALA 14 7.564 11.044 -3.852 629 H TYR 15 HN TYR 15 9.869 11.931 -3.857 630 HA TYR 15 HA TYR 15 10.276 13.855 -6.017 631 HB2 TYR 15 HB2 TYR 15 12.739 13.897 -5.417 632 HB3 TYR 15 HB1 TYR 15 11.668 14.759 -4.319 633 HD1 TYR 15 HD1 TYR 15 13.614 11.630 -4.742 634 HD2 TYR 15 HD2 TYR 15 11.542 14.175 -2.034 635 HE1 TYR 15 HE1 TYR 15 14.519 10.348 -2.851 636 HE2 TYR 15 HE2 TYR 15 12.443 12.899 -0.139 637 HH TYR 15 HH TYR 15 13.328 10.690 0.321 638 H LEU 16 HN LEU 16 12.405 13.069 -7.223 639 HA LEU 16 HA LEU 16 12.262 10.162 -7.535 640 HB2 LEU 16 HB2 LEU 16 10.908 11.211 -9.294 641 HB3 LEU 16 HB1 LEU 16 12.268 12.213 -9.754 642 HG LEU 16 HG LEU 16 13.501 10.219 -10.482 643 HD11 LEU 16 HD11 LEU 16 10.986 8.741 -9.729 644 HD12 LEU 16 HD12 LEU 16 12.572 8.576 -8.973 645 HD13 LEU 16 HD13 LEU 16 12.333 8.063 -10.643 646 HD21 LEU 16 HD21 LEU 16 10.733 10.441 -11.658 647 HD22 LEU 16 HD22 LEU 16 12.128 9.700 -12.442 648 HD23 LEU 16 HD23 LEU 16 12.129 11.428 -12.092 649 H SER 17 HN SER 17 14.152 9.370 -7.126 650 HA SER 17 HA SER 17 16.535 10.840 -6.954 651 HB2 SER 17 HB2 SER 17 16.195 7.862 -7.312 652 HB3 SER 17 HB1 SER 17 17.592 8.683 -6.606 653 HG SER 17 HG SER 17 16.361 9.261 -4.860 654 H LEU 18 HN LEU 18 15.015 9.042 -9.515 655 HA LEU 18 HA LEU 18 17.283 9.150 -11.287 656 HB2 LEU 18 HB2 LEU 18 14.393 8.394 -11.783 657 HB3 LEU 18 HB1 LEU 18 15.653 8.297 -12.990 658 HG LEU 18 HG LEU 18 16.818 6.636 -11.444 659 HD11 LEU 18 HD11 LEU 18 14.101 6.601 -10.143 660 HD12 LEU 18 HD12 LEU 18 15.600 7.155 -9.399 661 HD13 LEU 18 HD13 LEU 18 15.412 5.459 -9.844 662 HD21 LEU 18 HD21 LEU 18 15.654 5.991 -13.484 663 HD22 LEU 18 HD22 LEU 18 14.132 5.909 -12.598 664 HD23 LEU 18 HD23 LEU 18 15.436 4.784 -12.218 665 H ALA 19 HN ALA 19 17.311 11.555 -10.763 666 HA ALA 19 HA ALA 19 15.369 13.273 -11.868 667 HB1 ALA 19 HB1 ALA 19 17.005 15.049 -11.521 668 HB2 ALA 19 HB2 ALA 19 18.262 13.844 -11.238 669 HB3 ALA 19 HB3 ALA 19 16.909 13.987 -10.116 670 H LEU 20 HN LEU 20 14.877 13.289 -13.925 671 HA LEU 20 HA LEU 20 16.569 12.537 -16.028 672 HB2 LEU 20 HB2 LEU 20 14.798 13.669 -17.470 673 HB3 LEU 20 HB1 LEU 20 14.280 12.337 -16.462 674 HG LEU 20 HG LEU 20 13.547 14.196 -14.793 675 HD11 LEU 20 HD11 LEU 20 13.618 15.781 -17.354 676 HD12 LEU 20 HD12 LEU 20 14.609 16.072 -15.925 677 HD13 LEU 20 HD13 LEU 20 12.860 16.284 -15.843 678 HD21 LEU 20 HD21 LEU 20 12.027 12.694 -15.945 679 HD22 LEU 20 HD22 LEU 20 12.076 13.723 -17.377 680 HD23 LEU 20 HD23 LEU 20 11.367 14.328 -15.879 681 HA PRO 21 HA PRO 21 19.159 16.014 -16.695 682 HB2 PRO 21 HB2 PRO 21 19.316 15.970 -19.447 683 HB3 PRO 21 HB1 PRO 21 20.253 14.922 -18.377 684 HG2 PRO 21 HG2 PRO 21 17.721 14.344 -19.858 685 HG3 PRO 21 HG1 PRO 21 19.146 13.314 -19.630 686 HD2 PRO 21 HD2 PRO 21 16.921 12.952 -18.192 687 HD3 PRO 21 HD1 PRO 21 18.531 12.727 -17.473 688 H ARG 22 HN ARG 22 19.258 18.117 -17.731 689 HA ARG 22 HA ARG 22 16.791 19.474 -17.558 690 HB2 ARG 22 HB2 ARG 22 19.356 20.502 -18.776 691 HB3 ARG 22 HB1 ARG 22 18.027 21.464 -18.147 692 HG2 ARG 22 HG2 ARG 22 18.473 20.582 -15.894 693 HG3 ARG 22 HG1 ARG 22 19.834 19.667 -16.542 694 HD2 ARG 22 HD2 ARG 22 19.514 22.657 -16.488 695 HD3 ARG 22 HD1 ARG 22 20.629 21.698 -15.519 696 HE ARG 22 HE ARG 22 20.793 21.979 -18.449 697 HH11 ARG 22 HH11 ARG 22 22.336 21.543 -15.322 698 HH12 ARG 22 HH12 ARG 22 23.940 21.733 -15.935 699 HH21 ARG 22 HH21 ARG 22 22.930 22.224 -19.269 700 HH22 ARG 22 HH22 ARG 22 24.283 22.132 -18.196 701 H ALA 23 HN ALA 23 18.446 17.991 -20.172 702 HA ALA 23 HA ALA 23 17.125 19.350 -22.300 703 HB1 ALA 23 HB1 ALA 23 19.241 18.154 -22.627 704 HB2 ALA 23 HB2 ALA 23 17.990 17.562 -23.720 705 HB3 ALA 23 HB3 ALA 23 18.427 16.626 -22.291 706 H HIS 24 HN HIS 24 16.119 16.982 -20.065 707 HA HIS 24 HA HIS 24 13.943 16.058 -21.793 708 HB2 HIS 24 HB2 HIS 24 15.204 15.010 -19.290 709 HB3 HIS 24 HB1 HIS 24 13.568 14.533 -19.716 710 HD1 HIS 24 HD1 HIS 24 13.759 12.225 -20.607 711 HD2 HIS 24 HD2 HIS 24 16.768 14.697 -22.057 712 HE1 HIS 24 HE1 HIS 24 15.039 10.829 -22.251 713 H VAL 25 HN VAL 25 14.533 18.510 -19.722 714 HA VAL 25 HA VAL 25 11.741 18.542 -18.837 715 HB VAL 25 HB VAL 25 13.607 18.555 -17.046 716 HG11 VAL 25 HG11 VAL 25 14.999 20.261 -18.191 717 HG12 VAL 25 HG12 VAL 25 14.632 20.645 -16.509 718 HG13 VAL 25 HG13 VAL 25 13.760 21.459 -17.807 719 HG21 VAL 25 HG21 VAL 25 11.490 20.698 -17.039 720 HG22 VAL 25 HG22 VAL 25 12.345 20.099 -15.618 721 HG23 VAL 25 HG23 VAL 25 11.289 19.021 -16.531 722 H LYS 26 HN LYS 26 10.572 20.440 -19.108 723 HA LYS 26 HA LYS 26 11.668 22.159 -21.199 724 HB2 LYS 26 HB2 LYS 26 9.529 20.878 -21.582 725 HB3 LYS 26 HB1 LYS 26 8.787 21.864 -20.334 726 HG2 LYS 26 HG2 LYS 26 8.818 23.773 -21.640 727 HG3 LYS 26 HG1 LYS 26 10.090 23.151 -22.694 728 HD2 LYS 26 HD2 LYS 26 7.906 23.170 -23.823 729 HD3 LYS 26 HD1 LYS 26 8.538 21.534 -23.652 730 HE2 LYS 26 HE2 LYS 26 6.174 21.547 -23.144 731 HE3 LYS 26 HE1 LYS 26 7.086 21.214 -21.675 732 HZ1 LYS 26 HZ1 LYS 26 6.766 23.454 -20.944 733 HZ2 LYS 26 HZ2 LYS 26 5.253 22.833 -21.378 734 HZ3 LYS 26 HZ3 LYS 26 6.050 23.895 -22.415 735 H GLU 27 HN GLU 27 9.910 22.264 -18.111 736 HA GLU 27 HA GLU 27 11.395 24.557 -17.272 737 HB2 GLU 27 HB2 GLU 27 9.532 26.080 -16.918 738 HB3 GLU 27 HB1 GLU 27 9.651 25.663 -18.621 739 HG2 GLU 27 HG2 GLU 27 7.861 23.952 -17.093 740 HG3 GLU 27 HG1 GLU 27 7.370 25.647 -17.155 741 H TYR 28 HN TYR 28 10.259 25.370 -15.079 742 HA TYR 28 HA TYR 28 9.374 22.987 -13.603 743 HB2 TYR 28 HB2 TYR 28 10.730 23.586 -11.708 744 HB3 TYR 28 HB1 TYR 28 11.777 23.562 -13.118 745 HD1 TYR 28 HD1 TYR 28 10.565 25.489 -10.359 746 HD2 TYR 28 HD2 TYR 28 12.375 25.802 -14.193 747 HE1 TYR 28 HE1 TYR 28 11.302 27.766 -9.818 748 HE2 TYR 28 HE2 TYR 28 13.122 28.082 -13.660 749 HH TYR 28 HH TYR 28 13.113 29.324 -10.548 750 H PHE 29 HN PHE 29 8.402 23.714 -11.388 751 HA PHE 29 HA PHE 29 7.201 26.315 -11.351 752 HB2 PHE 29 HB2 PHE 29 5.892 24.695 -13.040 753 HB3 PHE 29 HB1 PHE 29 5.163 24.138 -11.540 754 HD1 PHE 29 HD1 PHE 29 5.722 27.122 -13.652 755 HD2 PHE 29 HD2 PHE 29 3.468 25.393 -10.482 756 HE1 PHE 29 HE1 PHE 29 4.161 29.019 -13.735 757 HE2 PHE 29 HE2 PHE 29 1.902 27.289 -10.559 758 HZ PHE 29 HZ PHE 29 2.248 29.106 -12.188 759 H TYR 30 HN TYR 30 5.479 26.287 -9.498 760 HA TYR 30 HA TYR 30 6.529 24.525 -7.389 761 HB2 TYR 30 HB2 TYR 30 5.353 27.284 -7.030 762 HB3 TYR 30 HB1 TYR 30 6.134 26.294 -5.806 763 HD1 TYR 30 HD1 TYR 30 6.625 28.570 -8.593 764 HD2 TYR 30 HD2 TYR 30 8.585 26.004 -5.826 765 HE1 TYR 30 HE1 TYR 30 8.763 29.648 -9.122 766 HE2 TYR 30 HE2 TYR 30 10.735 27.078 -6.350 767 HH TYR 30 HH TYR 30 10.935 29.992 -8.114 768 H THR 31 HN THR 31 5.003 23.875 -5.764 769 HA THR 31 HA THR 31 2.427 23.289 -6.819 770 HB THR 31 HB THR 31 1.962 22.430 -4.478 771 HG1 THR 31 HG1 THR 31 3.353 22.821 -2.947 772 HG21 THR 31 HG21 THR 31 3.473 20.523 -4.690 773 HG22 THR 31 HG22 THR 31 4.465 21.429 -5.835 774 HG23 THR 31 HG23 THR 31 2.812 20.980 -6.260 775 H SER 32 HN SER 32 0.400 23.837 -5.630 776 HA SER 32 HA SER 32 0.172 26.663 -5.484 777 HB2 SER 32 HB2 SER 32 -1.808 24.532 -4.697 778 HB3 SER 32 HB1 SER 32 -2.179 26.231 -5.001 779 HG SER 32 HG SER 32 -0.981 25.586 -7.134 780 H SER 33 HN SER 33 -0.636 27.900 -3.678 781 HA SER 33 HA SER 33 0.769 27.300 -1.263 782 HB2 SER 33 HB2 SER 33 -1.151 29.554 -1.881 783 HB3 SER 33 HB1 SER 33 -0.078 29.469 -0.484 784 HG SER 33 HG SER 33 0.478 30.081 -3.125 785 H LYS 34 HN LYS 34 -2.089 26.146 -2.373 786 HA LYS 34 HA LYS 34 -3.580 26.195 0.111 787 HB2 LYS 34 HB2 LYS 34 -4.027 24.671 -2.463 788 HB3 LYS 34 HB1 LYS 34 -5.124 24.643 -1.092 789 HG2 LYS 34 HG2 LYS 34 -4.387 27.105 -2.652 790 HG3 LYS 34 HG1 LYS 34 -5.845 26.144 -2.906 791 HD2 LYS 34 HD2 LYS 34 -6.500 26.586 -0.568 792 HD3 LYS 34 HD1 LYS 34 -5.075 27.609 -0.385 793 HE2 LYS 34 HE2 LYS 34 -7.333 28.051 -2.339 794 HE3 LYS 34 HE1 LYS 34 -7.077 28.941 -0.839 795 HZ1 LYS 34 HZ1 LYS 34 -5.230 28.901 -3.165 796 HZ2 LYS 34 HZ2 LYS 34 -4.972 29.738 -1.723 797 HZ3 LYS 34 HZ3 LYS 34 -6.251 30.174 -2.730 798 H CYS 35 HN CYS 35 -1.024 24.490 -1.152 799 HA CYS 35 HA CYS 35 -1.589 21.930 0.007 800 HB2 CYS 35 HB2 CYS 35 0.911 23.098 -1.206 801 HB3 CYS 35 HB1 CYS 35 0.724 21.415 -0.718 802 H SER 36 HN SER 36 -0.350 20.961 1.684 803 HA SER 36 HA SER 36 0.347 22.797 3.807 804 HB2 SER 36 HB2 SER 36 0.491 19.775 3.776 805 HB3 SER 36 HB1 SER 36 0.481 20.823 5.195 806 HG SER 36 HG SER 36 -1.640 21.563 4.177 807 H ASN 37 HN ASN 37 1.937 21.713 1.193 808 HA ASN 37 HA ASN 37 4.533 22.188 2.374 809 HB2 ASN 37 HB2 ASN 37 4.472 19.820 2.677 810 HB3 ASN 37 HB1 ASN 37 3.779 19.564 1.081 811 HD21 ASN 37 HD21 ASN 37 5.105 19.466 -0.689 812 HD22 ASN 37 HD22 ASN 37 6.829 19.500 -0.583 813 H LEU 38 HN LEU 38 5.897 23.155 0.971 814 HA LEU 38 HA LEU 38 4.876 23.731 -1.685 815 HB2 LEU 38 HB2 LEU 38 5.764 25.564 -0.315 816 HB3 LEU 38 HB1 LEU 38 7.320 24.761 -0.243 817 HG LEU 38 HG LEU 38 7.490 24.995 -2.722 818 HD11 LEU 38 HD11 LEU 38 5.158 25.192 -3.291 819 HD12 LEU 38 HD12 LEU 38 6.018 26.642 -3.812 820 HD13 LEU 38 HD13 LEU 38 5.022 26.683 -2.358 821 HD21 LEU 38 HD21 LEU 38 8.036 27.375 -2.675 822 HD22 LEU 38 HD22 LEU 38 8.612 26.546 -1.228 823 HD23 LEU 38 HD23 LEU 38 7.160 27.545 -1.154 824 H ALA 39 HN ALA 39 5.524 22.676 -3.410 825 HA ALA 39 HA ALA 39 8.097 21.287 -3.335 826 HB1 ALA 39 HB1 ALA 39 7.094 19.377 -4.494 827 HB2 ALA 39 HB2 ALA 39 5.509 20.146 -4.368 828 HB3 ALA 39 HB3 ALA 39 6.363 19.640 -2.910 829 H VAL 40 HN VAL 40 8.594 20.487 -5.693 830 HA VAL 40 HA VAL 40 7.955 22.726 -7.491 831 HB VAL 40 HB VAL 40 10.526 21.150 -7.499 832 HG11 VAL 40 HG11 VAL 40 9.980 22.119 -9.636 833 HG12 VAL 40 HG12 VAL 40 11.357 22.951 -8.909 834 HG13 VAL 40 HG13 VAL 40 9.759 23.699 -8.882 835 HG21 VAL 40 HG21 VAL 40 10.069 23.913 -6.396 836 HG22 VAL 40 HG22 VAL 40 11.593 23.017 -6.410 837 HG23 VAL 40 HG23 VAL 40 10.249 22.461 -5.414 838 H VAL 41 HN VAL 41 7.141 22.219 -9.361 839 HA VAL 41 HA VAL 41 7.010 19.382 -10.126 840 HB VAL 41 HB VAL 41 5.135 21.601 -10.963 841 HG11 VAL 41 HG11 VAL 41 3.689 19.741 -11.662 842 HG12 VAL 41 HG12 VAL 41 4.970 18.606 -11.232 843 HG13 VAL 41 HG13 VAL 41 5.224 19.774 -12.531 844 HG21 VAL 41 HG21 VAL 41 4.748 19.510 -8.821 845 HG22 VAL 41 HG22 VAL 41 3.515 20.632 -9.394 846 HG23 VAL 41 HG23 VAL 41 4.944 21.243 -8.560 847 H PHE 42 HN PHE 42 8.222 18.877 -11.792 848 HA PHE 42 HA PHE 42 9.136 21.000 -13.581 849 HB2 PHE 42 HB2 PHE 42 10.098 18.169 -13.194 850 HB3 PHE 42 HB1 PHE 42 10.747 19.271 -14.397 851 HD1 PHE 42 HD1 PHE 42 10.607 18.402 -10.872 852 HD2 PHE 42 HD2 PHE 42 12.067 21.198 -13.723 853 HE1 PHE 42 HE1 PHE 42 12.174 19.291 -9.195 854 HE2 PHE 42 HE2 PHE 42 13.635 22.090 -12.060 855 HZ PHE 42 HZ PHE 42 13.696 21.139 -9.795 856 H VAL 43 HN VAL 43 8.557 21.142 -15.628 857 HA VAL 43 HA VAL 43 6.576 19.231 -16.596 858 HB VAL 43 HB VAL 43 7.441 21.872 -17.798 859 HG11 VAL 43 HG11 VAL 43 5.422 21.707 -19.122 860 HG12 VAL 43 HG12 VAL 43 5.028 20.161 -18.362 861 HG13 VAL 43 HG13 VAL 43 6.454 20.301 -19.396 862 HG21 VAL 43 HG21 VAL 43 5.045 21.245 -16.076 863 HG22 VAL 43 HG22 VAL 43 5.354 22.782 -16.884 864 HG23 VAL 43 HG23 VAL 43 6.435 22.222 -15.607 865 H THR 44 HN THR 44 7.401 17.583 -17.672 866 HA THR 44 HA THR 44 10.036 17.634 -18.760 867 HB THR 44 HB THR 44 9.556 15.339 -19.511 868 HG1 THR 44 HG1 THR 44 6.988 15.653 -18.352 869 HG21 THR 44 HG21 THR 44 9.133 14.360 -17.317 870 HG22 THR 44 HG22 THR 44 8.530 15.911 -16.736 871 HG23 THR 44 HG23 THR 44 10.229 15.738 -17.182 872 H ARG 45 HN ARG 45 10.396 16.754 -21.050 873 HA ARG 45 HA ARG 45 9.266 18.583 -22.927 874 HB2 ARG 45 HB2 ARG 45 10.942 16.104 -23.380 875 HB3 ARG 45 HB1 ARG 45 10.568 17.303 -24.606 876 HG2 ARG 45 HG2 ARG 45 12.150 17.797 -22.089 877 HG3 ARG 45 HG1 ARG 45 12.818 17.592 -23.709 878 HD2 ARG 45 HD2 ARG 45 11.010 19.812 -22.755 879 HD3 ARG 45 HD1 ARG 45 12.717 19.942 -23.178 880 HE ARG 45 HE ARG 45 11.060 18.945 -25.305 881 HH11 ARG 45 HH11 ARG 45 12.359 21.843 -23.800 882 HH12 ARG 45 HH12 ARG 45 12.157 22.812 -25.210 883 HH21 ARG 45 HH21 ARG 45 10.793 20.215 -27.157 884 HH22 ARG 45 HH22 ARG 45 11.259 21.878 -27.140 885 H ARG 46 HN ARG 46 8.367 15.579 -21.718 886 HA ARG 46 HA ARG 46 6.709 14.723 -23.919 887 HB2 ARG 46 HB2 ARG 46 7.809 13.136 -22.369 888 HB3 ARG 46 HB1 ARG 46 6.859 13.791 -21.046 889 HG2 ARG 46 HG2 ARG 46 4.810 13.051 -22.218 890 HG3 ARG 46 HG1 ARG 46 5.831 12.285 -23.437 891 HD2 ARG 46 HD2 ARG 46 5.850 11.678 -20.492 892 HD3 ARG 46 HD1 ARG 46 5.065 10.698 -21.731 893 HE ARG 46 HE ARG 46 7.739 11.009 -22.450 894 HH11 ARG 46 HH11 ARG 46 5.862 9.467 -19.899 895 HH12 ARG 46 HH12 ARG 46 7.031 8.226 -19.620 896 HH21 ARG 46 HH21 ARG 46 9.289 9.368 -22.073 897 HH22 ARG 46 HH22 ARG 46 8.990 8.165 -20.867 898 H ASN 47 HN ASN 47 6.527 17.150 -21.724 899 HA ASN 47 HA ASN 47 4.930 18.552 -20.986 900 HB2 ASN 47 HB2 ASN 47 3.183 16.930 -22.836 901 HB3 ASN 47 HB1 ASN 47 2.542 18.246 -21.858 902 HD21 ASN 47 HD21 ASN 47 4.592 17.389 -24.521 903 HD22 ASN 47 HD22 ASN 47 4.774 18.985 -25.155 904 H ARG 48 HN ARG 48 5.588 15.874 -19.834 905 HA ARG 48 HA ARG 48 3.215 15.413 -18.188 906 HB2 ARG 48 HB2 ARG 48 4.475 13.470 -19.219 907 HB3 ARG 48 HB1 ARG 48 5.842 13.896 -18.205 908 HG2 ARG 48 HG2 ARG 48 3.178 13.341 -16.969 909 HG3 ARG 48 HG1 ARG 48 4.220 12.012 -17.469 910 HD2 ARG 48 HD2 ARG 48 5.221 14.231 -15.710 911 HD3 ARG 48 HD1 ARG 48 4.383 12.832 -15.033 912 HE ARG 48 HE ARG 48 6.727 12.387 -16.736 913 HH11 ARG 48 HH11 ARG 48 5.287 12.352 -13.527 914 HH12 ARG 48 HH12 ARG 48 6.554 11.419 -12.821 915 HH21 ARG 48 HH21 ARG 48 8.411 11.156 -15.803 916 HH22 ARG 48 HH22 ARG 48 8.348 10.730 -14.125 917 H GLN 49 HN GLN 49 3.136 16.127 -16.121 918 HA GLN 49 HA GLN 49 5.417 17.697 -15.246 919 HB2 GLN 49 HB2 GLN 49 2.667 17.517 -14.030 920 HB3 GLN 49 HB1 GLN 49 3.921 18.683 -13.635 921 HG2 GLN 49 HG2 GLN 49 3.796 19.432 -16.051 922 HG3 GLN 49 HG1 GLN 49 2.327 18.467 -16.167 923 HE21 GLN 49 HE21 GLN 49 3.341 20.236 -13.332 924 HE22 GLN 49 HE22 GLN 49 2.057 21.396 -13.365 925 H VAL 50 HN VAL 50 6.793 17.029 -13.827 926 HA VAL 50 HA VAL 50 6.182 14.634 -12.236 927 HB VAL 50 HB VAL 50 8.074 14.440 -13.834 928 HG11 VAL 50 HG11 VAL 50 9.370 16.587 -12.205 929 HG12 VAL 50 HG12 VAL 50 8.751 16.756 -13.847 930 HG13 VAL 50 HG13 VAL 50 10.117 15.680 -13.524 931 HG21 VAL 50 HG21 VAL 50 8.936 14.411 -10.945 932 HG22 VAL 50 HG22 VAL 50 9.759 13.585 -12.269 933 HG23 VAL 50 HG23 VAL 50 8.128 13.098 -11.802 934 H CYS 51 HN CYS 51 6.567 14.675 -10.024 935 HA CYS 51 HA CYS 51 6.899 17.380 -8.917 936 HB2 CYS 51 HB2 CYS 51 5.380 14.982 -8.001 937 HB3 CYS 51 HB1 CYS 51 5.870 16.218 -6.850 938 H ALA 52 HN ALA 52 8.272 17.804 -7.251 939 HA ALA 52 HA ALA 52 9.656 15.712 -5.875 940 HB1 ALA 52 HB1 ALA 52 11.247 17.540 -7.673 941 HB2 ALA 52 HB2 ALA 52 10.968 15.817 -7.940 942 HB3 ALA 52 HB3 ALA 52 11.905 16.353 -6.545 943 H ASN 53 HN ASN 53 10.861 16.467 -4.101 944 HA ASN 53 HA ASN 53 9.837 18.951 -3.043 945 HB2 ASN 53 HB2 ASN 53 11.660 16.875 -1.806 946 HB3 ASN 53 HB1 ASN 53 10.998 18.265 -0.957 947 HD21 ASN 53 HD21 ASN 53 8.809 18.289 -0.430 948 HD22 ASN 53 HD22 ASN 53 7.838 16.857 -0.466 949 HA PRO 54 HA PRO 54 13.346 21.400 -4.181 950 HB2 PRO 54 HB2 PRO 54 13.030 23.440 -2.444 951 HB3 PRO 54 HB1 PRO 54 11.937 23.190 -3.814 952 HG2 PRO 54 HG2 PRO 54 11.593 22.367 -0.951 953 HG3 PRO 54 HG1 PRO 54 10.438 23.204 -2.010 954 HD2 PRO 54 HD2 PRO 54 10.274 20.564 -1.582 955 HD3 PRO 54 HD1 PRO 54 9.921 21.268 -3.174 956 H GLU 55 HN GLU 55 13.202 19.592 -1.441 957 HA GLU 55 HA GLU 55 15.375 20.729 0.042 958 HB2 GLU 55 HB2 GLU 55 14.133 17.974 0.205 959 HB3 GLU 55 HB1 GLU 55 15.237 18.668 1.382 960 HG2 GLU 55 HG2 GLU 55 13.626 20.325 2.006 961 HG3 GLU 55 HG1 GLU 55 12.545 19.823 0.707 962 H LYS 56 HN LYS 56 15.105 18.877 -2.737 963 HA LYS 56 HA LYS 56 17.663 17.525 -2.429 964 HB2 LYS 56 HB2 LYS 56 15.761 17.562 -4.782 965 HB3 LYS 56 HB1 LYS 56 17.154 16.509 -4.602 966 HG2 LYS 56 HG2 LYS 56 15.072 16.409 -2.485 967 HG3 LYS 56 HG1 LYS 56 14.678 15.715 -4.055 968 HD2 LYS 56 HD2 LYS 56 15.552 13.982 -2.612 969 HD3 LYS 56 HD1 LYS 56 16.714 14.302 -3.896 970 HE2 LYS 56 HE2 LYS 56 18.062 15.630 -2.365 971 HE3 LYS 56 HE1 LYS 56 16.871 15.402 -1.086 972 HZ1 LYS 56 HZ1 LYS 56 18.391 13.207 -2.390 973 HZ2 LYS 56 HZ2 LYS 56 17.348 13.064 -1.064 974 HZ3 LYS 56 HZ3 LYS 56 18.800 13.907 -0.911 975 H LYS 57 HN LYS 57 19.524 18.201 -3.318 976 HA LYS 57 HA LYS 57 19.812 20.861 -4.161 977 HB2 LYS 57 HB2 LYS 57 21.623 19.551 -3.098 978 HB3 LYS 57 HB1 LYS 57 21.748 18.566 -4.547 979 HG2 LYS 57 HG2 LYS 57 23.510 20.260 -4.434 980 HG3 LYS 57 HG1 LYS 57 22.461 20.502 -5.833 981 HD2 LYS 57 HD2 LYS 57 21.220 22.224 -4.568 982 HD3 LYS 57 HD1 LYS 57 22.331 22.005 -3.216 983 HE2 LYS 57 HE2 LYS 57 23.156 22.843 -5.993 984 HE3 LYS 57 HE1 LYS 57 22.848 23.962 -4.668 985 HZ1 LYS 57 HZ1 LYS 57 24.636 22.948 -3.424 986 HZ2 LYS 57 HZ2 LYS 57 25.201 23.484 -4.920 987 HZ3 LYS 57 HZ3 LYS 57 24.927 21.837 -4.666 988 H TRP 58 HN TRP 58 19.327 17.897 -5.943 989 HA TRP 58 HA TRP 58 20.071 18.751 -8.503 990 HB2 TRP 58 HB2 TRP 58 17.894 16.829 -7.659 991 HB3 TRP 58 HB1 TRP 58 18.415 17.055 -9.323 992 HD1 TRP 58 HD1 TRP 58 19.172 15.094 -6.263 993 HE1 TRP 58 HE1 TRP 58 21.279 13.662 -6.625 994 HE3 TRP 58 HE3 TRP 58 20.855 17.233 -10.583 995 HZ2 TRP 58 HZ2 TRP 58 23.375 13.472 -8.504 996 HZ3 TRP 58 HZ3 TRP 58 22.919 16.369 -11.599 997 HH2 TRP 58 HH2 TRP 58 24.151 14.529 -10.578 998 H VAL 59 HN VAL 59 17.093 19.052 -6.702 999 HA VAL 59 HA VAL 59 15.521 20.171 -8.756 1000 HB VAL 59 HB VAL 59 15.266 20.457 -5.746 1001 HG11 VAL 59 HG11 VAL 59 12.942 21.086 -6.162 1002 HG12 VAL 59 HG12 VAL 59 13.231 21.032 -7.897 1003 HG13 VAL 59 HG13 VAL 59 14.053 22.236 -6.906 1004 HG21 VAL 59 HG21 VAL 59 13.613 18.685 -5.914 1005 HG22 VAL 59 HG22 VAL 59 15.154 18.142 -6.583 1006 HG23 VAL 59 HG23 VAL 59 13.842 18.612 -7.660 1007 H GLN 60 HN GLN 60 17.642 21.514 -6.320 1008 HA GLN 60 HA GLN 60 17.037 24.240 -6.746 1009 HB2 GLN 60 HB2 GLN 60 19.644 23.043 -5.796 1010 HB3 GLN 60 HB1 GLN 60 19.108 24.697 -5.552 1011 HG2 GLN 60 HG2 GLN 60 17.751 22.267 -4.415 1012 HG3 GLN 60 HG1 GLN 60 18.900 23.275 -3.545 1013 HE21 GLN 60 HE21 GLN 60 15.695 23.009 -4.789 1014 HE22 GLN 60 HE22 GLN 60 15.047 24.396 -3.988 1015 H GLU 61 HN GLU 61 19.464 22.041 -8.079 1016 HA GLU 61 HA GLU 61 20.734 23.983 -9.650 1017 HB2 GLU 61 HB2 GLU 61 20.615 21.003 -9.928 1018 HB3 GLU 61 HB1 GLU 61 21.640 22.072 -10.888 1019 HG2 GLU 61 HG2 GLU 61 21.708 21.820 -7.904 1020 HG3 GLU 61 HG1 GLU 61 22.845 21.082 -9.021 1021 H TYR 62 HN TYR 62 18.132 21.732 -10.318 1022 HA TYR 62 HA TYR 62 17.978 22.464 -13.051 1023 HB2 TYR 62 HB2 TYR 62 16.122 20.974 -11.221 1024 HB3 TYR 62 HB1 TYR 62 15.600 21.440 -12.839 1025 HD1 TYR 62 HD1 TYR 62 18.189 19.522 -11.000 1026 HD2 TYR 62 HD2 TYR 62 16.271 20.194 -14.728 1027 HE1 TYR 62 HE1 TYR 62 19.339 17.566 -11.932 1028 HE2 TYR 62 HE2 TYR 62 17.418 18.234 -15.670 1029 HH TYR 62 HH TYR 62 18.808 15.899 -13.926 1030 H ILE 63 HN ILE 63 16.528 23.713 -10.122 1031 HA ILE 63 HA ILE 63 14.684 25.431 -11.405 1032 HB ILE 63 HB ILE 63 15.961 25.504 -8.669 1033 HG12 ILE 63 HG12 ILE 63 13.108 25.063 -9.575 1034 HG13 ILE 63 HG11 ILE 63 14.232 23.803 -9.079 1035 HG21 ILE 63 HG21 ILE 63 15.618 27.825 -9.323 1036 HG22 ILE 63 HG22 ILE 63 14.470 27.357 -8.068 1037 HG23 ILE 63 HG23 ILE 63 13.942 27.473 -9.747 1038 HD11 ILE 63 HD11 ILE 63 14.296 24.717 -6.833 1039 HD12 ILE 63 HD12 ILE 63 12.637 24.370 -7.320 1040 HD13 ILE 63 HD13 ILE 63 13.226 26.030 -7.323 1041 H ASN 64 HN ASN 64 17.976 25.947 -10.186 1042 HA ASN 64 HA ASN 64 18.041 28.655 -10.985 1043 HB2 ASN 64 HB2 ASN 64 20.097 28.751 -10.000 1044 HB3 ASN 64 HB1 ASN 64 19.536 27.229 -9.321 1045 HD21 ASN 64 HD21 ASN 64 20.648 25.517 -9.620 1046 HD22 ASN 64 HD22 ASN 64 22.028 25.329 -10.650 1047 H TYR 65 HN TYR 65 18.932 25.676 -12.570 1048 HA TYR 65 HA TYR 65 20.185 27.018 -14.767 1049 HB2 TYR 65 HB2 TYR 65 19.526 24.175 -14.171 1050 HB3 TYR 65 HB1 TYR 65 19.881 24.639 -15.832 1051 HD1 TYR 65 HD1 TYR 65 21.269 23.994 -12.544 1052 HD2 TYR 65 HD2 TYR 65 22.105 25.623 -16.379 1053 HE1 TYR 65 HE1 TYR 65 23.676 23.876 -12.061 1054 HE2 TYR 65 HE2 TYR 65 24.513 25.509 -15.909 1055 HH TYR 65 HH TYR 65 25.774 23.842 -13.150 1056 H LEU 66 HN LEU 66 16.946 25.818 -14.117 1057 HA LEU 66 HA LEU 66 16.159 26.270 -16.851 1058 HB2 LEU 66 HB2 LEU 66 14.535 25.618 -14.404 1059 HB3 LEU 66 HB1 LEU 66 13.834 25.862 -15.991 1060 HG LEU 66 HG LEU 66 15.798 23.709 -15.233 1061 HD11 LEU 66 HD11 LEU 66 13.901 22.206 -15.539 1062 HD12 LEU 66 HD12 LEU 66 12.851 23.590 -15.840 1063 HD13 LEU 66 HD13 LEU 66 13.600 23.377 -14.258 1064 HD21 LEU 66 HD21 LEU 66 14.351 24.241 -17.827 1065 HD22 LEU 66 HD22 LEU 66 15.318 22.811 -17.467 1066 HD23 LEU 66 HD23 LEU 66 16.086 24.394 -17.549 1067 H GLU 67 HN GLU 67 16.030 28.086 -13.846 1068 HA GLU 67 HA GLU 67 14.235 30.062 -14.801 1069 HB2 GLU 67 HB2 GLU 67 14.849 31.376 -12.894 1070 HB3 GLU 67 HB1 GLU 67 14.815 29.692 -12.385 1071 HG2 GLU 67 HG2 GLU 67 17.182 29.563 -12.396 1072 HG3 GLU 67 HG1 GLU 67 17.323 31.154 -13.134 1073 H MET 68 HN MET 68 17.696 29.627 -15.047 1074 HA MET 68 HA MET 68 18.105 32.215 -16.249 1075 HB2 MET 68 HB2 MET 68 20.413 31.527 -16.582 1076 HB3 MET 68 HB1 MET 68 19.914 31.127 -14.948 1077 HG2 MET 68 HG2 MET 68 19.646 28.801 -15.562 1078 HG3 MET 68 HG1 MET 68 20.042 29.179 -17.238 1079 HE1 MET 68 HE1 MET 68 23.825 30.209 -16.948 1080 HE2 MET 68 HE2 MET 68 22.443 31.297 -16.843 1081 HE3 MET 68 HE3 MET 68 22.453 29.997 -18.035 1082 H SER 69 HN SER 69 17.210 29.076 -17.259 1083 HA SER 69 HA SER 69 16.791 28.096 -19.246 1084 HB2 SER 69 HB2 SER 69 16.316 30.950 -20.078 1085 HB3 SER 69 HB1 SER 69 15.692 29.512 -20.889 1086 HG SER 69 HG SER 69 14.996 29.309 -18.348 Start of MODEL 17 1 H1 MET 1 HT1 MET 1 4.046 -1.915 -6.359 2 HA MET 1 HA MET 1 4.019 -0.815 -8.482 3 HB2 MET 1 HB2 MET 1 3.241 1.585 -6.814 4 HB3 MET 1 HB1 MET 1 3.785 1.674 -8.481 5 HG2 MET 1 HG2 MET 1 1.316 0.259 -7.504 6 HG3 MET 1 HG1 MET 1 1.364 1.827 -8.308 7 HE1 MET 1 HE1 MET 1 -0.315 1.173 -10.206 8 HE2 MET 1 HE2 MET 1 -0.558 -0.366 -9.380 9 HE3 MET 1 HE3 MET 1 -0.230 -0.338 -11.113 10 H SER 2 HN SER 2 5.991 -0.137 -9.198 11 HA SER 2 HA SER 2 8.200 -0.197 -7.446 12 HB2 SER 2 HB2 SER 2 8.053 0.919 -10.263 13 HB3 SER 2 HB1 SER 2 9.504 0.357 -9.437 14 HG SER 2 HG SER 2 8.615 -1.732 -9.419 15 HA PRO 3 HA PRO 3 8.744 4.034 -6.079 16 HB2 PRO 3 HB2 PRO 3 11.364 4.536 -6.883 17 HB3 PRO 3 HB1 PRO 3 10.904 3.742 -5.374 18 HG2 PRO 3 HG2 PRO 3 11.774 2.532 -7.964 19 HG3 PRO 3 HG1 PRO 3 12.174 2.045 -6.308 20 HD2 PRO 3 HD2 PRO 3 10.374 0.696 -7.734 21 HD3 PRO 3 HD1 PRO 3 10.136 0.974 -5.998 22 H TYR 4 HN TYR 4 7.372 5.114 -7.423 23 HA TYR 4 HA TYR 4 8.530 6.622 -9.603 24 HB2 TYR 4 HB2 TYR 4 7.682 4.396 -10.533 25 HB3 TYR 4 HB1 TYR 4 6.071 4.922 -10.077 26 HD1 TYR 4 HD1 TYR 4 8.815 5.321 -12.437 27 HD2 TYR 4 HD2 TYR 4 4.977 6.767 -11.301 28 HE1 TYR 4 HE1 TYR 4 8.592 6.424 -14.619 29 HE2 TYR 4 HE2 TYR 4 4.746 7.879 -13.484 30 HH TYR 4 HH TYR 4 6.769 7.198 -16.098 31 H GLY 5 HN GLY 5 7.717 8.635 -9.457 32 HA2 GLY 5 HA2 GLY 5 5.207 9.532 -9.305 33 HA3 GLY 5 HA1 GLY 5 5.511 9.091 -7.631 34 H SER 6 HN SER 6 6.063 10.743 -6.419 35 HA SER 6 HA SER 6 6.896 12.728 -5.700 36 HB2 SER 6 HB2 SER 6 8.905 12.334 -7.943 37 HB3 SER 6 HB1 SER 6 9.078 13.454 -6.591 38 HG SER 6 HG SER 6 8.858 11.515 -5.230 39 H ASP 7 HN ASP 7 4.817 12.637 -7.689 40 HA ASP 7 HA ASP 7 5.323 15.038 -9.274 41 HB2 ASP 7 HB2 ASP 7 3.359 14.345 -10.583 42 HB3 ASP 7 HB1 ASP 7 4.645 13.145 -10.573 43 H THR 8 HN THR 8 3.133 16.219 -9.742 44 HA THR 8 HA THR 8 2.548 17.773 -7.575 45 HB THR 8 HB THR 8 0.352 18.274 -8.912 46 HG1 THR 8 HG1 THR 8 0.861 16.201 -10.159 47 HG21 THR 8 HG21 THR 8 2.285 19.756 -8.826 48 HG22 THR 8 HG22 THR 8 1.653 19.669 -10.472 49 HG23 THR 8 HG23 THR 8 3.110 18.775 -10.039 50 H THR 9 HN THR 9 1.437 17.571 -5.803 51 HA THR 9 HA THR 9 -0.266 15.242 -5.459 52 HB THR 9 HB THR 9 0.755 17.246 -3.439 53 HG1 THR 9 HG1 THR 9 2.406 15.962 -4.496 54 HG21 THR 9 HG21 THR 9 0.127 15.605 -1.781 55 HG22 THR 9 HG22 THR 9 -0.428 14.497 -3.036 56 HG23 THR 9 HG23 THR 9 -1.283 16.015 -2.756 57 HA PRO 10 HA PRO 10 -3.726 18.100 -5.884 58 HB2 PRO 10 HB2 PRO 10 -5.653 16.173 -5.852 59 HB3 PRO 10 HB1 PRO 10 -4.755 16.628 -7.303 60 HG2 PRO 10 HG2 PRO 10 -4.425 14.268 -5.521 61 HG3 PRO 10 HG1 PRO 10 -4.188 14.395 -7.271 62 HD2 PRO 10 HD2 PRO 10 -2.156 14.370 -5.407 63 HD3 PRO 10 HD1 PRO 10 -2.016 15.050 -7.039 64 H CYS 11 HN CYS 11 -4.023 19.164 -4.054 65 HA CYS 11 HA CYS 11 -5.254 17.742 -1.801 66 HB2 CYS 11 HB2 CYS 11 -2.783 18.149 -1.394 67 HB3 CYS 11 HB1 CYS 11 -3.122 19.872 -1.480 68 H CYS 12 HN CYS 12 -6.266 19.470 -0.260 69 HA CYS 12 HA CYS 12 -6.875 21.974 -1.445 70 HB2 CYS 12 HB2 CYS 12 -8.128 20.161 -2.809 71 HB3 CYS 12 HB1 CYS 12 -9.219 20.128 -1.431 72 H PHE 13 HN PHE 13 -8.497 23.157 -0.302 73 HA PHE 13 HA PHE 13 -9.590 22.212 2.164 74 HB2 PHE 13 HB2 PHE 13 -7.214 22.718 2.807 75 HB3 PHE 13 HB1 PHE 13 -7.458 24.379 2.284 76 HD1 PHE 13 HD1 PHE 13 -8.645 21.825 4.694 77 HD2 PHE 13 HD2 PHE 13 -8.340 25.966 3.770 78 HE1 PHE 13 HE1 PHE 13 -9.446 22.385 6.949 79 HE2 PHE 13 HE2 PHE 13 -9.143 26.531 6.025 80 HZ PHE 13 HZ PHE 13 -9.696 24.737 7.617 81 H ALA 14 HN ALA 14 -11.271 22.856 0.555 82 HA ALA 14 HA ALA 14 -12.046 25.624 0.999 83 HB1 ALA 14 HB1 ALA 14 -12.644 25.923 -1.376 84 HB2 ALA 14 HB2 ALA 14 -11.957 24.345 -1.751 85 HB3 ALA 14 HB3 ALA 14 -10.913 25.649 -1.189 86 H TYR 15 HN TYR 15 -14.384 25.883 0.236 87 HA TYR 15 HA TYR 15 -15.952 23.520 -0.015 88 HB2 TYR 15 HB2 TYR 15 -17.175 23.685 2.097 89 HB3 TYR 15 HB1 TYR 15 -15.466 23.406 2.405 90 HD1 TYR 15 HD1 TYR 15 -18.214 25.825 2.644 91 HD2 TYR 15 HD2 TYR 15 -14.099 25.119 3.465 92 HE1 TYR 15 HE1 TYR 15 -18.181 27.783 4.121 93 HE2 TYR 15 HE2 TYR 15 -14.056 27.079 4.947 94 HH TYR 15 HH TYR 15 -15.345 29.199 5.209 95 H LEU 16 HN LEU 16 -18.308 24.084 0.103 96 HA LEU 16 HA LEU 16 -18.861 26.895 -0.417 97 HB2 LEU 16 HB2 LEU 16 -18.718 24.866 -2.427 98 HB3 LEU 16 HB1 LEU 16 -20.386 25.376 -2.258 99 HG LEU 16 HG LEU 16 -18.148 27.339 -2.646 100 HD11 LEU 16 HD11 LEU 16 -19.876 26.045 -4.763 101 HD12 LEU 16 HD12 LEU 16 -18.150 25.768 -4.534 102 HD13 LEU 16 HD13 LEU 16 -18.728 27.357 -5.029 103 HD21 LEU 16 HD21 LEU 16 -20.242 28.225 -1.770 104 HD22 LEU 16 HD22 LEU 16 -21.120 27.509 -3.121 105 HD23 LEU 16 HD23 LEU 16 -19.949 28.796 -3.412 106 H SER 17 HN SER 17 -20.673 27.531 0.458 107 HA SER 17 HA SER 17 -22.271 25.578 1.878 108 HB2 SER 17 HB2 SER 17 -22.454 28.589 1.751 109 HB3 SER 17 HB1 SER 17 -23.393 27.562 2.839 110 HG SER 17 HG SER 17 -21.355 28.533 3.674 111 H LEU 18 HN LEU 18 -22.297 27.245 -1.060 112 HA LEU 18 HA LEU 18 -25.077 26.475 -1.578 113 HB2 LEU 18 HB2 LEU 18 -23.214 28.375 -3.019 114 HB3 LEU 18 HB1 LEU 18 -24.705 27.807 -3.734 115 HG LEU 18 HG LEU 18 -25.928 28.850 -1.790 116 HD11 LEU 18 HD11 LEU 18 -24.084 28.984 -0.211 117 HD12 LEU 18 HD12 LEU 18 -24.770 30.580 -0.517 118 HD13 LEU 18 HD13 LEU 18 -23.244 30.116 -1.270 119 HD21 LEU 18 HD21 LEU 18 -25.844 29.914 -3.964 120 HD22 LEU 18 HD22 LEU 18 -24.291 30.648 -3.568 121 HD23 LEU 18 HD23 LEU 18 -25.740 31.126 -2.687 122 H ALA 19 HN ALA 19 -24.502 24.277 -1.680 123 HA ALA 19 HA ALA 19 -22.453 23.346 -3.421 124 HB1 ALA 19 HB1 ALA 19 -23.193 21.128 -2.802 125 HB2 ALA 19 HB2 ALA 19 -24.683 21.782 -2.125 126 HB3 ALA 19 HB3 ALA 19 -23.136 22.153 -1.366 127 H LEU 20 HN LEU 20 -22.781 21.928 -5.237 128 HA LEU 20 HA LEU 20 -24.983 22.839 -6.883 129 HB2 LEU 20 HB2 LEU 20 -23.730 21.628 -8.726 130 HB3 LEU 20 HB1 LEU 20 -22.922 23.009 -8.023 131 HG LEU 20 HG LEU 20 -21.714 21.181 -6.557 132 HD11 LEU 20 HD11 LEU 20 -22.498 19.585 -8.988 133 HD12 LEU 20 HD12 LEU 20 -23.031 19.289 -7.333 134 HD13 LEU 20 HD13 LEU 20 -21.330 19.100 -7.760 135 HD21 LEU 20 HD21 LEU 20 -19.934 21.066 -8.230 136 HD22 LEU 20 HD22 LEU 20 -20.602 22.692 -8.106 137 HD23 LEU 20 HD23 LEU 20 -21.053 21.655 -9.460 138 HA PRO 21 HA PRO 21 -27.672 19.445 -6.109 139 HB2 PRO 21 HB2 PRO 21 -28.397 19.172 -8.859 140 HB3 PRO 21 HB1 PRO 21 -29.295 19.974 -7.575 141 HG2 PRO 21 HG2 PRO 21 -27.545 21.125 -9.645 142 HG3 PRO 21 HG1 PRO 21 -28.869 21.880 -8.745 143 HD2 PRO 21 HD2 PRO 21 -26.281 22.481 -8.301 144 HD3 PRO 21 HD1 PRO 21 -27.492 22.496 -7.002 145 H ARG 22 HN ARG 22 -27.863 17.218 -6.403 146 HA ARG 22 HA ARG 22 -25.468 15.853 -6.965 147 HB2 ARG 22 HB2 ARG 22 -28.274 14.813 -6.578 148 HB3 ARG 22 HB1 ARG 22 -26.885 13.765 -6.787 149 HG2 ARG 22 HG2 ARG 22 -26.721 13.785 -4.559 150 HG3 ARG 22 HG1 ARG 22 -26.103 15.426 -4.721 151 HD2 ARG 22 HD2 ARG 22 -29.043 14.850 -4.556 152 HD3 ARG 22 HD1 ARG 22 -28.053 15.023 -3.115 153 HE ARG 22 HE ARG 22 -27.447 17.277 -4.173 154 HH11 ARG 22 HH11 ARG 22 -30.583 15.749 -4.535 155 HH12 ARG 22 HH12 ARG 22 -31.448 17.242 -4.543 156 HH21 ARG 22 HH21 ARG 22 -28.593 19.261 -4.171 157 HH22 ARG 22 HH22 ARG 22 -30.319 19.248 -4.336 158 H ALA 23 HN ALA 23 -28.089 16.768 -8.977 159 HA ALA 23 HA ALA 23 -27.678 14.867 -11.058 160 HB1 ALA 23 HB1 ALA 23 -29.787 16.083 -10.786 161 HB2 ALA 23 HB2 ALA 23 -29.106 16.321 -12.395 162 HB3 ALA 23 HB3 ALA 23 -28.966 17.592 -11.181 163 H HIS 24 HN HIS 24 -25.963 17.605 -10.039 164 HA HIS 24 HA HIS 24 -24.750 18.067 -12.646 165 HB2 HIS 24 HB2 HIS 24 -24.724 19.538 -10.027 166 HB3 HIS 24 HB1 HIS 24 -23.565 19.913 -11.296 167 HD1 HIS 24 HD1 HIS 24 -24.315 21.886 -12.602 168 HD2 HIS 24 HD2 HIS 24 -27.525 19.599 -11.289 169 HE1 HIS 24 HE1 HIS 24 -26.368 23.095 -13.388 170 H VAL 25 HN VAL 25 -24.168 16.560 -9.602 171 HA VAL 25 HA VAL 25 -21.310 16.348 -10.129 172 HB VAL 25 HB VAL 25 -22.304 16.918 -7.806 173 HG11 VAL 25 HG11 VAL 25 -23.948 15.048 -7.821 174 HG12 VAL 25 HG12 VAL 25 -22.941 15.124 -6.374 175 HG13 VAL 25 HG13 VAL 25 -22.596 13.931 -7.620 176 HG21 VAL 25 HG21 VAL 25 -20.506 15.729 -6.642 177 HG22 VAL 25 HG22 VAL 25 -19.951 16.465 -8.147 178 HG23 VAL 25 HG23 VAL 25 -20.250 14.728 -8.071 179 H LYS 26 HN LYS 26 -20.264 14.269 -10.152 180 HA LYS 26 HA LYS 26 -22.040 12.167 -11.188 181 HB2 LYS 26 HB2 LYS 26 -20.264 12.938 -12.720 182 HB3 LYS 26 HB1 LYS 26 -19.053 12.537 -11.515 183 HG2 LYS 26 HG2 LYS 26 -19.474 10.203 -11.748 184 HG3 LYS 26 HG1 LYS 26 -20.907 10.501 -12.735 185 HD2 LYS 26 HD2 LYS 26 -19.118 9.850 -14.199 186 HD3 LYS 26 HD1 LYS 26 -19.427 11.568 -14.440 187 HE2 LYS 26 HE2 LYS 26 -17.112 11.480 -14.356 188 HE3 LYS 26 HE1 LYS 26 -17.534 11.904 -12.702 189 HZ1 LYS 26 HZ1 LYS 26 -17.275 9.551 -12.084 190 HZ2 LYS 26 HZ2 LYS 26 -15.859 10.176 -12.753 191 HZ3 LYS 26 HZ3 LYS 26 -16.850 9.183 -13.680 192 H GLU 27 HN GLU 27 -19.341 12.800 -8.998 193 HA GLU 27 HA GLU 27 -20.186 10.852 -7.116 194 HB2 GLU 27 HB2 GLU 27 -18.233 9.355 -7.312 195 HB3 GLU 27 HB1 GLU 27 -19.250 9.310 -8.747 196 HG2 GLU 27 HG2 GLU 27 -17.672 10.907 -9.817 197 HG3 GLU 27 HG1 GLU 27 -16.618 10.703 -8.416 198 H TYR 28 HN TYR 28 -18.148 10.473 -5.555 199 HA TYR 28 HA TYR 28 -16.704 13.005 -5.333 200 HB2 TYR 28 HB2 TYR 28 -17.030 13.102 -2.956 201 HB3 TYR 28 HB1 TYR 28 -18.611 12.906 -3.697 202 HD1 TYR 28 HD1 TYR 28 -16.320 11.659 -1.270 203 HD2 TYR 28 HD2 TYR 28 -19.596 10.526 -3.730 204 HE1 TYR 28 HE1 TYR 28 -16.745 9.735 0.196 205 HE2 TYR 28 HE2 TYR 28 -20.033 8.599 -2.269 206 HH TYR 28 HH TYR 28 -18.842 8.278 0.761 207 H PHE 29 HN PHE 29 -14.685 12.858 -4.254 208 HA PHE 29 HA PHE 29 -13.571 10.160 -4.050 209 HB2 PHE 29 HB2 PHE 29 -13.244 11.183 -6.379 210 HB3 PHE 29 HB1 PHE 29 -12.216 12.377 -5.604 211 HD1 PHE 29 HD1 PHE 29 -12.585 8.661 -5.503 212 HD2 PHE 29 HD2 PHE 29 -9.982 12.002 -5.902 213 HE1 PHE 29 HE1 PHE 29 -10.674 7.139 -5.756 214 HE2 PHE 29 HE2 PHE 29 -8.064 10.484 -6.152 215 HZ PHE 29 HZ PHE 29 -8.409 8.046 -6.079 216 H TYR 30 HN TYR 30 -11.123 10.534 -3.287 217 HA TYR 30 HA TYR 30 -11.248 12.536 -1.133 218 HB2 TYR 30 HB2 TYR 30 -9.921 9.818 -1.134 219 HB3 TYR 30 HB1 TYR 30 -9.792 10.996 0.166 220 HD1 TYR 30 HD1 TYR 30 -12.056 8.672 -1.572 221 HD2 TYR 30 HD2 TYR 30 -11.591 11.326 1.715 222 HE1 TYR 30 HE1 TYR 30 -14.097 7.758 -0.555 223 HE2 TYR 30 HE2 TYR 30 -13.630 10.420 2.744 224 HH TYR 30 HH TYR 30 -15.596 9.234 2.185 225 H THR 31 HN THR 31 -9.311 13.599 -0.565 226 HA THR 31 HA THR 31 -7.575 14.161 -2.735 227 HB THR 31 HB THR 31 -6.258 15.424 -0.947 228 HG1 THR 31 HG1 THR 31 -6.742 14.839 1.017 229 HG21 THR 31 HG21 THR 31 -7.929 17.186 -0.768 230 HG22 THR 31 HG22 THR 31 -9.209 16.047 -1.183 231 HG23 THR 31 HG23 THR 31 -7.983 16.472 -2.380 232 H SER 32 HN SER 32 -5.041 14.277 -1.941 233 HA SER 32 HA SER 32 -4.212 11.545 -1.977 234 HB2 SER 32 HB2 SER 32 -2.633 14.109 -1.764 235 HB3 SER 32 HB1 SER 32 -1.926 12.512 -2.008 236 HG SER 32 HG SER 32 -3.907 12.984 -3.786 237 H SER 33 HN SER 33 -2.630 10.633 -0.480 238 HA SER 33 HA SER 33 -3.467 10.886 2.227 239 HB2 SER 33 HB2 SER 33 -1.053 9.432 1.142 240 HB3 SER 33 HB1 SER 33 -1.874 9.127 2.673 241 HG SER 33 HG SER 33 -2.367 8.009 0.358 242 H LYS 34 HN LYS 34 -1.256 12.580 0.352 243 HA LYS 34 HA LYS 34 0.665 13.261 2.362 244 HB2 LYS 34 HB2 LYS 34 -0.017 14.413 -0.329 245 HB3 LYS 34 HB1 LYS 34 1.248 15.083 0.686 246 HG2 LYS 34 HG2 LYS 34 1.202 12.233 -0.280 247 HG3 LYS 34 HG1 LYS 34 2.029 13.548 -1.118 248 HD2 LYS 34 HD2 LYS 34 3.301 13.971 1.002 249 HD3 LYS 34 HD1 LYS 34 2.587 12.491 1.647 250 HE2 LYS 34 HE2 LYS 34 3.596 11.198 -0.141 251 HE3 LYS 34 HE1 LYS 34 4.248 12.667 -0.865 252 HZ1 LYS 34 HZ1 LYS 34 5.507 12.998 1.226 253 HZ2 LYS 34 HZ2 LYS 34 5.965 11.619 0.362 254 HZ3 LYS 34 HZ3 LYS 34 4.997 11.467 1.738 255 H CYS 35 HN CYS 35 -2.469 14.361 1.466 256 HA CYS 35 HA CYS 35 -2.283 17.048 2.303 257 HB2 CYS 35 HB2 CYS 35 -4.723 15.271 2.190 258 HB3 CYS 35 HB1 CYS 35 -4.721 17.031 2.248 259 H SER 36 HN SER 36 -2.335 17.944 4.253 260 HA SER 36 HA SER 36 -2.148 16.356 6.588 261 HB2 SER 36 HB2 SER 36 -2.630 19.334 6.357 262 HB3 SER 36 HB1 SER 36 -2.054 18.481 7.789 263 HG SER 36 HG SER 36 -0.729 18.976 5.350 264 H ASN 37 HN ASN 37 -4.766 18.053 5.031 265 HA ASN 37 HA ASN 37 -6.558 17.118 7.167 266 HB2 ASN 37 HB2 ASN 37 -8.104 18.876 6.595 267 HB3 ASN 37 HB1 ASN 37 -6.518 19.601 6.817 268 HD21 ASN 37 HD21 ASN 37 -9.055 18.887 4.575 269 HD22 ASN 37 HD22 ASN 37 -8.412 19.791 3.245 270 H LEU 38 HN LEU 38 -8.400 15.990 6.605 271 HA LEU 38 HA LEU 38 -8.267 14.645 4.067 272 HB2 LEU 38 HB2 LEU 38 -8.929 13.568 6.281 273 HB3 LEU 38 HB1 LEU 38 -10.438 14.443 6.162 274 HG LEU 38 HG LEU 38 -10.561 12.032 5.485 275 HD11 LEU 38 HD11 LEU 38 -12.278 13.523 4.750 276 HD12 LEU 38 HD12 LEU 38 -11.894 12.383 3.462 277 HD13 LEU 38 HD13 LEU 38 -11.296 14.041 3.380 278 HD21 LEU 38 HD21 LEU 38 -9.684 11.351 3.325 279 HD22 LEU 38 HD22 LEU 38 -8.377 11.878 4.385 280 HD23 LEU 38 HD23 LEU 38 -8.954 12.940 3.101 281 H ALA 39 HN ALA 39 -9.230 15.332 2.297 282 HA ALA 39 HA ALA 39 -11.647 16.954 2.549 283 HB1 ALA 39 HB1 ALA 39 -9.331 17.587 0.717 284 HB2 ALA 39 HB2 ALA 39 -9.789 18.500 2.155 285 HB3 ALA 39 HB3 ALA 39 -10.873 18.440 0.765 286 H VAL 40 HN VAL 40 -13.031 16.823 0.720 287 HA VAL 40 HA VAL 40 -12.489 14.426 -0.864 288 HB VAL 40 HB VAL 40 -14.929 14.240 -1.215 289 HG11 VAL 40 HG11 VAL 40 -15.474 13.438 1.031 290 HG12 VAL 40 HG12 VAL 40 -14.049 14.267 1.660 291 HG13 VAL 40 HG13 VAL 40 -13.864 12.937 0.512 292 HG21 VAL 40 HG21 VAL 40 -16.443 15.516 0.231 293 HG22 VAL 40 HG22 VAL 40 -15.553 16.545 -0.894 294 HG23 VAL 40 HG23 VAL 40 -15.069 16.466 0.802 295 H VAL 41 HN VAL 41 -13.102 14.398 -2.991 296 HA VAL 41 HA VAL 41 -13.190 17.047 -4.250 297 HB VAL 41 HB VAL 41 -11.829 14.548 -5.289 298 HG11 VAL 41 HG11 VAL 41 -11.917 17.342 -6.408 299 HG12 VAL 41 HG12 VAL 41 -12.717 15.920 -7.078 300 HG13 VAL 41 HG13 VAL 41 -10.955 16.009 -7.048 301 HG21 VAL 41 HG21 VAL 41 -10.630 17.094 -4.200 302 HG22 VAL 41 HG22 VAL 41 -9.729 15.769 -4.935 303 HG23 VAL 41 HG23 VAL 41 -10.598 15.513 -3.422 304 H PHE 42 HN PHE 42 -15.144 17.313 -5.100 305 HA PHE 42 HA PHE 42 -16.696 14.996 -5.871 306 HB2 PHE 42 HB2 PHE 42 -17.357 17.934 -5.784 307 HB3 PHE 42 HB1 PHE 42 -18.469 16.713 -6.389 308 HD1 PHE 42 HD1 PHE 42 -16.851 18.122 -3.457 309 HD2 PHE 42 HD2 PHE 42 -19.497 15.120 -4.886 310 HE1 PHE 42 HE1 PHE 42 -17.616 17.702 -1.158 311 HE2 PHE 42 HE2 PHE 42 -20.275 14.700 -2.593 312 HZ PHE 42 HZ PHE 42 -19.339 15.992 -0.724 313 H VAL 43 HN VAL 43 -16.887 14.269 -7.812 314 HA VAL 43 HA VAL 43 -15.586 15.739 -9.974 315 HB VAL 43 HB VAL 43 -16.494 12.852 -9.834 316 HG11 VAL 43 HG11 VAL 43 -16.497 13.736 -12.105 317 HG12 VAL 43 HG12 VAL 43 -15.227 12.536 -11.878 318 HG13 VAL 43 HG13 VAL 43 -14.821 14.257 -11.911 319 HG21 VAL 43 HG21 VAL 43 -14.106 12.310 -9.679 320 HG22 VAL 43 HG22 VAL 43 -14.641 13.287 -8.312 321 HG23 VAL 43 HG23 VAL 43 -13.723 14.030 -9.622 322 H THR 44 HN THR 44 -16.927 16.945 -11.144 323 HA THR 44 HA THR 44 -19.748 16.494 -11.142 324 HB THR 44 HB THR 44 -19.856 18.342 -12.776 325 HG1 THR 44 HG1 THR 44 -17.056 18.590 -12.525 326 HG21 THR 44 HG21 THR 44 -19.721 18.871 -10.377 327 HG22 THR 44 HG22 THR 44 -18.907 20.095 -11.354 328 HG23 THR 44 HG23 THR 44 -17.959 18.886 -10.489 329 H ARG 45 HN ARG 45 -20.956 16.395 -13.282 330 HA ARG 45 HA ARG 45 -20.049 14.067 -14.667 331 HB2 ARG 45 HB2 ARG 45 -22.404 15.796 -15.363 332 HB3 ARG 45 HB1 ARG 45 -22.151 14.102 -15.771 333 HG2 ARG 45 HG2 ARG 45 -22.020 13.768 -13.205 334 HG3 ARG 45 HG1 ARG 45 -22.848 15.321 -13.143 335 HD2 ARG 45 HD2 ARG 45 -24.582 14.374 -14.630 336 HD3 ARG 45 HD1 ARG 45 -23.754 12.817 -14.497 337 HE ARG 45 HE ARG 45 -24.264 13.825 -11.921 338 HH11 ARG 45 HH11 ARG 45 -25.956 12.363 -14.631 339 HH12 ARG 45 HH12 ARG 45 -27.235 11.739 -13.647 340 HH21 ARG 45 HH21 ARG 45 -25.954 13.015 -10.630 341 HH22 ARG 45 HH22 ARG 45 -27.236 12.111 -11.367 342 H ARG 46 HN ARG 46 -19.151 17.173 -14.930 343 HA ARG 46 HA ARG 46 -18.658 17.055 -17.824 344 HB2 ARG 46 HB2 ARG 46 -18.655 19.304 -15.826 345 HB3 ARG 46 HB1 ARG 46 -17.752 19.462 -17.321 346 HG2 ARG 46 HG2 ARG 46 -19.826 20.512 -17.676 347 HG3 ARG 46 HG1 ARG 46 -19.906 18.975 -18.532 348 HD2 ARG 46 HD2 ARG 46 -21.192 18.003 -16.725 349 HD3 ARG 46 HD1 ARG 46 -21.038 19.489 -15.786 350 HE ARG 46 HE ARG 46 -22.268 19.740 -18.401 351 HH11 ARG 46 HH11 ARG 46 -22.769 19.382 -14.946 352 HH12 ARG 46 HH12 ARG 46 -24.389 19.980 -14.997 353 HH21 ARG 46 HH21 ARG 46 -24.419 20.550 -18.447 354 HH22 ARG 46 HH22 ARG 46 -25.317 20.667 -16.976 355 H ASN 47 HN ASN 47 -17.361 15.802 -15.265 356 HA ASN 47 HA ASN 47 -15.351 15.020 -14.645 357 HB2 ASN 47 HB2 ASN 47 -14.582 15.952 -17.404 358 HB3 ASN 47 HB1 ASN 47 -13.440 15.163 -16.321 359 HD21 ASN 47 HD21 ASN 47 -16.176 14.762 -18.374 360 HD22 ASN 47 HD22 ASN 47 -16.239 13.036 -18.298 361 H ARG 48 HN ARG 48 -16.159 17.872 -14.235 362 HA ARG 48 HA ARG 48 -13.542 19.091 -13.768 363 HB2 ARG 48 HB2 ARG 48 -15.272 20.542 -14.734 364 HB3 ARG 48 HB1 ARG 48 -16.347 20.178 -13.393 365 HG2 ARG 48 HG2 ARG 48 -14.650 21.221 -11.867 366 HG3 ARG 48 HG1 ARG 48 -13.780 21.747 -13.309 367 HD2 ARG 48 HD2 ARG 48 -16.634 22.451 -12.625 368 HD3 ARG 48 HD1 ARG 48 -15.243 23.510 -12.410 369 HE ARG 48 HE ARG 48 -15.075 22.953 -15.009 370 HH11 ARG 48 HH11 ARG 48 -17.845 23.923 -13.071 371 HH12 ARG 48 HH12 ARG 48 -18.631 24.741 -14.376 372 HH21 ARG 48 HH21 ARG 48 -16.101 24.052 -16.714 373 HH22 ARG 48 HH22 ARG 48 -17.627 24.825 -16.452 374 H GLN 49 HN GLN 49 -12.647 19.076 -11.776 375 HA GLN 49 HA GLN 49 -14.161 17.714 -9.696 376 HB2 GLN 49 HB2 GLN 49 -11.385 18.528 -9.060 377 HB3 GLN 49 HB1 GLN 49 -12.216 17.003 -8.838 378 HG2 GLN 49 HG2 GLN 49 -11.908 16.473 -11.201 379 HG3 GLN 49 HG1 GLN 49 -11.032 17.990 -11.412 380 HE21 GLN 49 HE21 GLN 49 -9.892 17.709 -8.683 381 HE22 GLN 49 HE22 GLN 49 -8.618 16.543 -8.859 382 H VAL 50 HN VAL 50 -14.090 18.506 -7.514 383 HA VAL 50 HA VAL 50 -13.431 21.265 -7.033 384 HB VAL 50 HB VAL 50 -15.781 21.265 -7.979 385 HG11 VAL 50 HG11 VAL 50 -17.598 20.489 -6.573 386 HG12 VAL 50 HG12 VAL 50 -16.417 19.816 -5.443 387 HG13 VAL 50 HG13 VAL 50 -16.528 19.181 -7.085 388 HG21 VAL 50 HG21 VAL 50 -16.685 22.774 -6.270 389 HG22 VAL 50 HG22 VAL 50 -14.974 23.085 -6.582 390 HG23 VAL 50 HG23 VAL 50 -15.460 22.202 -5.136 391 H CYS 51 HN CYS 51 -13.522 21.702 -4.678 392 HA CYS 51 HA CYS 51 -13.424 19.164 -3.198 393 HB2 CYS 51 HB2 CYS 51 -11.789 21.622 -2.661 394 HB3 CYS 51 HB1 CYS 51 -11.682 20.077 -1.828 395 H ALA 52 HN ALA 52 -13.914 19.239 -0.992 396 HA ALA 52 HA ALA 52 -14.991 21.608 0.180 397 HB1 ALA 52 HB1 ALA 52 -16.915 20.822 -1.147 398 HB2 ALA 52 HB2 ALA 52 -17.222 20.747 0.588 399 HB3 ALA 52 HB3 ALA 52 -16.840 19.274 -0.303 400 H ASN 53 HN ASN 53 -14.827 21.509 2.344 401 HA ASN 53 HA ASN 53 -13.426 19.327 3.491 402 HB2 ASN 53 HB2 ASN 53 -14.838 21.613 4.896 403 HB3 ASN 53 HB1 ASN 53 -13.643 20.539 5.616 404 HD21 ASN 53 HD21 ASN 53 -11.452 20.743 4.986 405 HD22 ASN 53 HD22 ASN 53 -10.879 22.181 4.227 406 HA PRO 54 HA PRO 54 -16.941 16.675 4.184 407 HB2 PRO 54 HB2 PRO 54 -15.711 14.921 5.872 408 HB3 PRO 54 HB1 PRO 54 -15.420 14.932 4.128 409 HG2 PRO 54 HG2 PRO 54 -13.824 16.213 6.315 410 HG3 PRO 54 HG1 PRO 54 -13.254 15.210 4.966 411 HD2 PRO 54 HD2 PRO 54 -13.067 17.860 4.864 412 HD3 PRO 54 HD1 PRO 54 -13.525 16.931 3.419 413 H GLU 55 HN GLU 55 -15.613 18.770 6.359 414 HA GLU 55 HA GLU 55 -16.933 17.841 8.722 415 HB2 GLU 55 HB2 GLU 55 -15.541 20.459 8.139 416 HB3 GLU 55 HB1 GLU 55 -16.066 19.914 9.728 417 HG2 GLU 55 HG2 GLU 55 -14.519 18.083 9.678 418 HG3 GLU 55 HG1 GLU 55 -14.087 18.439 8.009 419 H LYS 56 HN LYS 56 -18.005 19.405 5.968 420 HA LYS 56 HA LYS 56 -20.052 20.898 7.439 421 HB2 LYS 56 HB2 LYS 56 -19.347 20.999 4.508 422 HB3 LYS 56 HB1 LYS 56 -20.647 21.917 5.253 423 HG2 LYS 56 HG2 LYS 56 -18.694 22.715 6.840 424 HG3 LYS 56 HG1 LYS 56 -17.709 22.283 5.444 425 HD2 LYS 56 HD2 LYS 56 -18.265 24.617 5.288 426 HD3 LYS 56 HD1 LYS 56 -19.170 23.749 4.046 427 HE2 LYS 56 HE2 LYS 56 -21.183 23.880 5.292 428 HE3 LYS 56 HE1 LYS 56 -20.336 24.402 6.746 429 HZ1 LYS 56 HZ1 LYS 56 -19.798 26.480 5.620 430 HZ2 LYS 56 HZ2 LYS 56 -21.461 26.237 5.707 431 HZ3 LYS 56 HZ3 LYS 56 -20.659 25.991 4.245 432 H LYS 57 HN LYS 57 -22.245 20.688 7.000 433 HA LYS 57 HA LYS 57 -23.059 17.990 6.880 434 HB2 LYS 57 HB2 LYS 57 -24.159 19.817 8.205 435 HB3 LYS 57 HB1 LYS 57 -24.842 20.412 6.698 436 HG2 LYS 57 HG2 LYS 57 -26.026 18.311 6.386 437 HG3 LYS 57 HG1 LYS 57 -25.314 17.682 7.872 438 HD2 LYS 57 HD2 LYS 57 -26.398 19.557 9.105 439 HD3 LYS 57 HD1 LYS 57 -27.210 20.011 7.606 440 HE2 LYS 57 HE2 LYS 57 -28.688 18.666 8.981 441 HE3 LYS 57 HE1 LYS 57 -28.252 17.785 7.517 442 HZ1 LYS 57 HZ1 LYS 57 -28.166 16.393 9.507 443 HZ2 LYS 57 HZ2 LYS 57 -26.989 17.400 10.177 444 HZ3 LYS 57 HZ3 LYS 57 -26.648 16.520 8.776 445 H TRP 58 HN TRP 58 -23.187 20.610 4.504 446 HA TRP 58 HA TRP 58 -24.902 19.406 2.626 447 HB2 TRP 58 HB2 TRP 58 -22.494 21.161 2.060 448 HB3 TRP 58 HB1 TRP 58 -23.788 20.809 0.925 449 HD1 TRP 58 HD1 TRP 58 -22.775 23.215 3.538 450 HE1 TRP 58 HE1 TRP 58 -24.674 24.880 4.016 451 HE3 TRP 58 HE3 TRP 58 -26.546 20.843 1.054 452 HZ2 TRP 58 HZ2 TRP 58 -27.421 25.153 3.402 453 HZ3 TRP 58 HZ3 TRP 58 -28.779 21.871 1.039 454 HH2 TRP 58 HH2 TRP 58 -29.207 23.980 2.189 455 H VAL 59 HN VAL 59 -21.489 19.142 3.188 456 HA VAL 59 HA VAL 59 -20.854 17.562 0.935 457 HB VAL 59 HB VAL 59 -19.388 17.683 3.582 458 HG11 VAL 59 HG11 VAL 59 -18.432 17.020 0.804 459 HG12 VAL 59 HG12 VAL 59 -18.641 15.880 2.132 460 HG13 VAL 59 HG13 VAL 59 -17.413 17.141 2.235 461 HG21 VAL 59 HG21 VAL 59 -18.066 19.493 2.610 462 HG22 VAL 59 HG22 VAL 59 -19.771 19.934 2.717 463 HG23 VAL 59 HG23 VAL 59 -19.078 19.462 1.166 464 H GLN 60 HN GLN 60 -21.859 16.915 4.209 465 HA GLN 60 HA GLN 60 -21.407 14.123 4.160 466 HB2 GLN 60 HB2 GLN 60 -23.256 15.789 5.865 467 HB3 GLN 60 HB1 GLN 60 -22.910 14.089 6.142 468 HG2 GLN 60 HG2 GLN 60 -20.852 16.276 6.152 469 HG3 GLN 60 HG1 GLN 60 -21.627 15.629 7.592 470 HE21 GLN 60 HE21 GLN 60 -19.322 15.079 5.089 471 HE22 GLN 60 HE22 GLN 60 -18.616 13.652 5.760 472 H GLU 61 HN GLU 61 -24.203 16.158 3.459 473 HA GLU 61 HA GLU 61 -25.984 14.005 3.052 474 HB2 GLU 61 HB2 GLU 61 -26.057 16.800 1.920 475 HB3 GLU 61 HB1 GLU 61 -27.401 15.664 1.928 476 HG2 GLU 61 HG2 GLU 61 -26.039 16.741 4.377 477 HG3 GLU 61 HG1 GLU 61 -27.540 17.358 3.702 478 H TYR 62 HN TYR 62 -23.961 15.909 0.874 479 HA TYR 62 HA TYR 62 -24.859 14.570 -1.461 480 HB2 TYR 62 HB2 TYR 62 -22.565 16.392 -0.859 481 HB3 TYR 62 HB1 TYR 62 -22.605 15.522 -2.393 482 HD1 TYR 62 HD1 TYR 62 -24.569 17.851 -0.262 483 HD2 TYR 62 HD2 TYR 62 -23.946 16.259 -4.151 484 HE1 TYR 62 HE1 TYR 62 -26.153 19.492 -1.177 485 HE2 TYR 62 HE2 TYR 62 -25.519 17.896 -5.075 486 HH TYR 62 HH TYR 62 -26.617 20.580 -3.366 487 H ILE 63 HN ILE 63 -22.184 14.047 0.743 488 HA ILE 63 HA ILE 63 -20.977 11.941 -0.686 489 HB ILE 63 HB ILE 63 -20.974 12.742 2.210 490 HG12 ILE 63 HG12 ILE 63 -18.758 12.470 0.167 491 HG13 ILE 63 HG11 ILE 63 -19.577 13.972 0.584 492 HG21 ILE 63 HG21 ILE 63 -20.986 10.315 2.248 493 HG22 ILE 63 HG22 ILE 63 -19.413 10.945 2.742 494 HG23 ILE 63 HG23 ILE 63 -19.627 10.275 1.122 495 HD11 ILE 63 HD11 ILE 63 -17.436 13.829 1.692 496 HD12 ILE 63 HD12 ILE 63 -17.892 12.291 2.424 497 HD13 ILE 63 HD13 ILE 63 -18.740 13.770 2.878 498 H ASN 64 HN ASN 64 -23.490 11.995 1.795 499 HA ASN 64 HA ASN 64 -23.803 9.208 1.994 500 HB2 ASN 64 HB2 ASN 64 -25.022 9.890 3.739 501 HB3 ASN 64 HB1 ASN 64 -24.988 11.539 3.142 502 HD21 ASN 64 HD21 ASN 64 -26.708 12.310 1.982 503 HD22 ASN 64 HD22 ASN 64 -28.258 11.550 1.998 504 H TYR 65 HN TYR 65 -25.214 11.590 -0.148 505 HA TYR 65 HA TYR 65 -27.095 9.769 -1.324 506 HB2 TYR 65 HB2 TYR 65 -26.081 12.486 -2.130 507 HB3 TYR 65 HB1 TYR 65 -27.125 11.553 -3.188 508 HD1 TYR 65 HD1 TYR 65 -27.293 14.270 -1.337 509 HD2 TYR 65 HD2 TYR 65 -29.105 10.421 -1.378 510 HE1 TYR 65 HE1 TYR 65 -29.265 15.195 -0.207 511 HE2 TYR 65 HE2 TYR 65 -31.084 11.339 -0.242 512 HH TYR 65 HH TYR 65 -31.540 13.363 1.295 513 H LEU 66 HN LEU 66 -23.882 10.940 -2.208 514 HA LEU 66 HA LEU 66 -23.920 9.517 -4.689 515 HB2 LEU 66 HB2 LEU 66 -21.675 10.889 -3.228 516 HB3 LEU 66 HB1 LEU 66 -21.503 10.143 -4.806 517 HG LEU 66 HG LEU 66 -23.339 12.438 -4.149 518 HD11 LEU 66 HD11 LEU 66 -20.989 13.062 -4.018 519 HD12 LEU 66 HD12 LEU 66 -21.761 13.782 -5.429 520 HD13 LEU 66 HD13 LEU 66 -20.711 12.379 -5.619 521 HD21 LEU 66 HD21 LEU 66 -23.637 12.593 -6.565 522 HD22 LEU 66 HD22 LEU 66 -24.170 11.025 -5.970 523 HD23 LEU 66 HD23 LEU 66 -22.618 11.172 -6.794 524 H GLU 67 HN GLU 67 -22.847 8.741 -1.451 525 HA GLU 67 HA GLU 67 -21.251 6.517 -2.226 526 HB2 GLU 67 HB2 GLU 67 -21.229 5.879 0.105 527 HB3 GLU 67 HB1 GLU 67 -21.054 7.625 -0.002 528 HG2 GLU 67 HG2 GLU 67 -23.362 7.930 0.605 529 HG3 GLU 67 HG1 GLU 67 -23.618 6.189 0.616 530 H MET 68 HN MET 68 -24.662 6.980 -1.634 531 HA MET 68 HA MET 68 -25.168 4.121 -1.781 532 HB2 MET 68 HB2 MET 68 -27.535 4.698 -1.466 533 HB3 MET 68 HB1 MET 68 -26.529 5.431 -0.229 534 HG2 MET 68 HG2 MET 68 -26.703 7.582 -1.279 535 HG3 MET 68 HG1 MET 68 -27.530 6.874 -2.669 536 HE1 MET 68 HE1 MET 68 -29.382 7.066 1.561 537 HE2 MET 68 HE2 MET 68 -27.753 7.625 1.182 538 HE3 MET 68 HE3 MET 68 -28.135 5.904 1.112 539 H SER 69 HN SER 69 -24.992 6.819 -3.845 540 HA SER 69 HA SER 69 -25.310 7.155 -6.057 541 HB2 SER 69 HB2 SER 69 -23.830 5.093 -6.102 542 HB3 SER 69 HB1 SER 69 -25.296 4.143 -6.337 543 HG SER 69 HG SER 69 -23.938 5.798 -8.086 544 H1 MET 1 HT1 MET 1 -15.299 38.394 -13.327 545 HA MET 1 HA MET 1 -15.421 36.230 -14.282 546 HB2 MET 1 HB2 MET 1 -12.697 36.274 -14.167 547 HB3 MET 1 HB1 MET 1 -13.060 35.265 -12.777 548 HG2 MET 1 HG2 MET 1 -14.010 34.746 -15.589 549 HG3 MET 1 HG1 MET 1 -12.625 33.976 -14.829 550 HE1 MET 1 HE1 MET 1 -13.655 31.598 -15.487 551 HE2 MET 1 HE2 MET 1 -15.041 32.403 -16.221 552 HE3 MET 1 HE3 MET 1 -15.292 31.098 -15.061 553 H SER 2 HN SER 2 -16.700 34.876 -13.109 554 HA SER 2 HA SER 2 -17.253 35.507 -10.377 555 HB2 SER 2 HB2 SER 2 -18.170 33.125 -12.016 556 HB3 SER 2 HB1 SER 2 -18.936 33.749 -10.556 557 HG SER 2 HG SER 2 -18.834 35.796 -12.137 558 HA PRO 3 HA PRO 3 -14.655 32.599 -8.144 559 HB2 PRO 3 HB2 PRO 3 -16.588 31.159 -6.719 560 HB3 PRO 3 HB1 PRO 3 -15.833 32.661 -6.179 561 HG2 PRO 3 HG2 PRO 3 -18.472 32.237 -7.511 562 HG3 PRO 3 HG1 PRO 3 -18.034 33.381 -6.230 563 HD2 PRO 3 HD2 PRO 3 -18.346 34.192 -8.751 564 HD3 PRO 3 HD1 PRO 3 -17.066 34.873 -7.727 565 H TYR 4 HN TYR 4 -13.805 31.135 -9.534 566 HA TYR 4 HA TYR 4 -15.560 29.336 -10.942 567 HB2 TYR 4 HB2 TYR 4 -13.745 30.509 -12.143 568 HB3 TYR 4 HB1 TYR 4 -12.564 29.619 -11.189 569 HD1 TYR 4 HD1 TYR 4 -15.499 28.990 -13.421 570 HD2 TYR 4 HD2 TYR 4 -11.677 27.673 -12.091 571 HE1 TYR 4 HE1 TYR 4 -15.555 27.175 -15.078 572 HE2 TYR 4 HE2 TYR 4 -11.723 25.853 -13.744 573 HH TYR 4 HH TYR 4 -14.063 25.721 -16.263 574 H GLY 5 HN GLY 5 -16.214 28.169 -9.056 575 HA2 GLY 5 HA2 GLY 5 -16.330 26.054 -8.180 576 HA3 GLY 5 HA1 GLY 5 -14.867 25.659 -9.053 577 H SER 6 HN SER 6 -12.883 26.987 -7.996 578 HA SER 6 HA SER 6 -11.378 26.960 -6.284 579 HB2 SER 6 HB2 SER 6 -13.790 26.818 -4.453 580 HB3 SER 6 HB1 SER 6 -12.137 27.204 -3.967 581 HG SER 6 HG SER 6 -13.351 28.723 -5.982 582 H ASP 7 HN ASP 7 -10.814 24.982 -7.225 583 HA ASP 7 HA ASP 7 -11.813 22.628 -5.805 584 HB2 ASP 7 HB2 ASP 7 -11.506 21.362 -7.880 585 HB3 ASP 7 HB1 ASP 7 -12.628 22.700 -8.076 586 H THR 8 HN THR 8 -10.210 20.789 -6.945 587 HA THR 8 HA THR 8 -8.252 20.378 -5.136 588 HB THR 8 HB THR 8 -7.731 19.323 -7.835 589 HG1 THR 8 HG1 THR 8 -10.201 18.969 -6.421 590 HG21 THR 8 HG21 THR 8 -6.722 18.316 -5.865 591 HG22 THR 8 HG22 THR 8 -7.882 17.205 -6.610 592 HG23 THR 8 HG23 THR 8 -8.324 18.089 -5.153 593 H THR 9 HN THR 9 -6.355 21.254 -4.726 594 HA THR 9 HA THR 9 -5.092 22.898 -6.793 595 HB THR 9 HB THR 9 -4.752 23.001 -3.786 596 HG1 THR 9 HG1 THR 9 -6.834 23.741 -4.956 597 HG21 THR 9 HG21 THR 9 -3.633 25.143 -4.231 598 HG22 THR 9 HG22 THR 9 -3.797 24.865 -5.964 599 HG23 THR 9 HG23 THR 9 -2.780 23.801 -4.992 600 HA PRO 10 HA PRO 10 -1.786 19.880 -6.725 601 HB2 PRO 10 HB2 PRO 10 -0.159 21.150 -8.482 602 HB3 PRO 10 HB1 PRO 10 -1.584 20.233 -8.992 603 HG2 PRO 10 HG2 PRO 10 -1.212 23.178 -8.709 604 HG3 PRO 10 HG1 PRO 10 -2.131 22.272 -9.924 605 HD2 PRO 10 HD2 PRO 10 -3.249 23.548 -7.759 606 HD3 PRO 10 HD1 PRO 10 -3.995 22.182 -8.609 607 H CYS 11 HN CYS 11 -0.558 19.832 -4.978 608 HA CYS 11 HA CYS 11 1.322 22.040 -4.501 609 HB2 CYS 11 HB2 CYS 11 -0.545 22.119 -2.849 610 HB3 CYS 11 HB1 CYS 11 -0.164 20.470 -2.372 611 H CYS 12 HN CYS 12 3.262 21.236 -3.181 612 HA CYS 12 HA CYS 12 3.700 18.458 -2.963 613 HB2 CYS 12 HB2 CYS 12 3.690 19.043 -5.519 614 HB3 CYS 12 HB1 CYS 12 5.334 19.571 -5.183 615 H PHE 13 HN PHE 13 5.842 17.897 -2.382 616 HA PHE 13 HA PHE 13 7.904 19.831 -1.963 617 HB2 PHE 13 HB2 PHE 13 6.513 20.414 -0.033 618 HB3 PHE 13 HB1 PHE 13 6.420 18.726 0.453 619 HD1 PHE 13 HD1 PHE 13 8.770 21.564 0.005 620 HD2 PHE 13 HD2 PHE 13 8.037 17.825 1.900 621 HE1 PHE 13 HE1 PHE 13 10.756 21.894 1.420 622 HE2 PHE 13 HE2 PHE 13 10.023 18.149 3.315 623 HZ PHE 13 HZ PHE 13 11.385 20.186 3.076 624 H ALA 14 HN ALA 14 8.953 18.280 -3.263 625 HA ALA 14 HA ALA 14 10.235 16.201 -1.793 626 HB1 ALA 14 HB1 ALA 14 9.515 14.344 -3.221 627 HB2 ALA 14 HB2 ALA 14 8.403 15.418 -4.069 628 HB3 ALA 14 HB3 ALA 14 8.141 15.046 -2.365 629 H TYR 15 HN TYR 15 11.793 15.063 -3.243 630 HA TYR 15 HA TYR 15 12.439 16.541 -5.662 631 HB2 TYR 15 HB2 TYR 15 14.825 16.737 -4.959 632 HB3 TYR 15 HB1 TYR 15 13.738 17.712 -3.980 633 HD1 TYR 15 HD1 TYR 15 16.026 14.863 -4.009 634 HD2 TYR 15 HD2 TYR 15 13.272 17.092 -1.653 635 HE1 TYR 15 HE1 TYR 15 16.912 13.801 -1.977 636 HE2 TYR 15 HE2 TYR 15 14.150 16.038 0.383 637 HH TYR 15 HH TYR 15 15.323 14.041 1.042 638 H LEU 16 HN LEU 16 14.082 15.410 -6.936 639 HA LEU 16 HA LEU 16 14.053 12.532 -6.366 640 HB2 LEU 16 HB2 LEU 16 12.926 13.803 -8.535 641 HB3 LEU 16 HB1 LEU 16 14.493 13.322 -9.151 642 HG LEU 16 HG LEU 16 12.548 11.409 -7.866 643 HD11 LEU 16 HD11 LEU 16 13.030 11.944 -10.795 644 HD12 LEU 16 HD12 LEU 16 11.570 12.350 -9.892 645 HD13 LEU 16 HD13 LEU 16 12.017 10.661 -10.131 646 HD21 LEU 16 HD21 LEU 16 14.884 10.692 -7.812 647 HD22 LEU 16 HD22 LEU 16 14.999 10.931 -9.555 648 HD23 LEU 16 HD23 LEU 16 13.928 9.691 -8.904 649 H SER 17 HN SER 17 15.930 11.741 -5.925 650 HA SER 17 HA SER 17 18.321 13.215 -6.029 651 HB2 SER 17 HB2 SER 17 17.907 10.233 -5.771 652 HB3 SER 17 HB1 SER 17 19.395 11.098 -5.366 653 HG SER 17 HG SER 17 17.356 12.278 -4.123 654 H LEU 18 HN LEU 18 16.815 10.981 -8.232 655 HA LEU 18 HA LEU 18 19.074 11.245 -10.076 656 HB2 LEU 18 HB2 LEU 18 16.790 9.264 -10.006 657 HB3 LEU 18 HB1 LEU 18 17.894 9.404 -11.355 658 HG LEU 18 HG LEU 18 19.764 8.838 -9.730 659 HD11 LEU 18 HD11 LEU 18 18.619 9.326 -7.647 660 HD12 LEU 18 HD12 LEU 18 19.131 7.639 -7.694 661 HD13 LEU 18 HD13 LEU 18 17.441 8.056 -7.977 662 HD21 LEU 18 HD21 LEU 18 18.896 7.242 -11.336 663 HD22 LEU 18 HD22 LEU 18 17.605 6.797 -10.220 664 HD23 LEU 18 HD23 LEU 18 19.283 6.443 -9.812 665 H ALA 19 HN ALA 19 18.547 13.336 -10.711 666 HA ALA 19 HA ALA 19 15.984 14.120 -11.596 667 HB1 ALA 19 HB1 ALA 19 17.676 15.718 -10.849 668 HB2 ALA 19 HB2 ALA 19 17.103 16.100 -12.474 669 HB3 ALA 19 HB3 ALA 19 18.671 15.323 -12.250 670 H LEU 20 HN LEU 20 14.968 13.406 -13.311 671 HA LEU 20 HA LEU 20 16.044 11.817 -15.291 672 HB2 LEU 20 HB2 LEU 20 13.946 12.317 -16.579 673 HB3 LEU 20 HB1 LEU 20 13.705 11.731 -14.949 674 HG LEU 20 HG LEU 20 13.501 14.314 -14.406 675 HD11 LEU 20 HD11 LEU 20 12.663 14.189 -17.297 676 HD12 LEU 20 HD12 LEU 20 14.029 15.094 -16.648 677 HD13 LEU 20 HD13 LEU 20 12.383 15.538 -16.197 678 HD21 LEU 20 HD21 LEU 20 11.073 14.110 -14.697 679 HD22 LEU 20 HD22 LEU 20 11.779 12.660 -13.984 680 HD23 LEU 20 HD23 LEU 20 11.322 12.673 -15.688 681 HA PRO 21 HA PRO 21 18.564 14.314 -17.827 682 HB2 PRO 21 HB2 PRO 21 17.848 13.088 -20.257 683 HB3 PRO 21 HB1 PRO 21 19.178 12.625 -19.196 684 HG2 PRO 21 HG2 PRO 21 16.441 11.482 -19.421 685 HG3 PRO 21 HG1 PRO 21 17.974 10.669 -19.058 686 HD2 PRO 21 HD2 PRO 21 16.174 11.148 -17.153 687 HD3 PRO 21 HD1 PRO 21 17.915 11.295 -16.824 688 H ARG 22 HN ARG 22 18.515 16.012 -19.233 689 HA ARG 22 HA ARG 22 16.196 17.555 -19.419 690 HB2 ARG 22 HB2 ARG 22 18.914 17.708 -20.619 691 HB3 ARG 22 HB1 ARG 22 17.658 18.730 -21.300 692 HG2 ARG 22 HG2 ARG 22 17.730 20.146 -19.572 693 HG3 ARG 22 HG1 ARG 22 17.758 18.843 -18.387 694 HD2 ARG 22 HD2 ARG 22 20.162 19.591 -20.020 695 HD3 ARG 22 HD1 ARG 22 19.788 20.356 -18.474 696 HE ARG 22 HE ARG 22 19.781 17.509 -18.292 697 HH11 ARG 22 HH11 ARG 22 21.960 20.249 -18.463 698 HH12 ARG 22 HH12 ARG 22 23.171 19.495 -17.478 699 HH21 ARG 22 HH21 ARG 22 21.380 16.516 -17.010 700 HH22 ARG 22 HH22 ARG 22 22.847 17.370 -16.664 701 H ALA 23 HN ALA 23 17.423 15.107 -21.530 702 HA ALA 23 HA ALA 23 15.956 15.816 -23.847 703 HB1 ALA 23 HB1 ALA 23 17.854 14.278 -23.917 704 HB2 ALA 23 HB2 ALA 23 16.403 13.537 -24.592 705 HB3 ALA 23 HB3 ALA 23 16.939 13.104 -22.970 706 H HIS 24 HN HIS 24 15.083 14.352 -20.859 707 HA HIS 24 HA HIS 24 12.628 13.230 -21.940 708 HB2 HIS 24 HB2 HIS 24 14.032 12.996 -19.293 709 HB3 HIS 24 HB1 HIS 24 12.387 12.427 -19.527 710 HD1 HIS 24 HD1 HIS 24 12.571 9.950 -19.609 711 HD2 HIS 24 HD2 HIS 24 15.531 11.806 -21.856 712 HE1 HIS 24 HE1 HIS 24 13.831 8.090 -20.725 713 H VAL 25 HN VAL 25 13.753 16.045 -20.354 714 HA VAL 25 HA VAL 25 11.102 16.641 -19.302 715 HB VAL 25 HB VAL 25 13.298 17.144 -18.013 716 HG11 VAL 25 HG11 VAL 25 14.423 18.315 -19.894 717 HG12 VAL 25 HG12 VAL 25 14.364 19.257 -18.403 718 HG13 VAL 25 HG13 VAL 25 13.256 19.629 -19.718 719 HG21 VAL 25 HG21 VAL 25 12.307 19.109 -16.949 720 HG22 VAL 25 HG22 VAL 25 11.101 17.862 -17.271 721 HG23 VAL 25 HG23 VAL 25 11.198 19.284 -18.309 722 H LYS 26 HN LYS 26 9.862 18.359 -19.991 723 HA LYS 26 HA LYS 26 10.541 19.342 -22.677 724 HB2 LYS 26 HB2 LYS 26 8.498 17.956 -22.488 725 HB3 LYS 26 HB1 LYS 26 7.845 19.095 -21.326 726 HG2 LYS 26 HG2 LYS 26 7.590 20.775 -22.971 727 HG3 LYS 26 HG1 LYS 26 8.566 19.880 -24.138 728 HD2 LYS 26 HD2 LYS 26 6.240 19.650 -24.731 729 HD3 LYS 26 HD1 LYS 26 6.833 18.098 -24.145 730 HE2 LYS 26 HE2 LYS 26 4.715 18.378 -23.150 731 HE3 LYS 26 HE1 LYS 26 5.876 18.755 -21.882 732 HZ1 LYS 26 HZ1 LYS 26 5.516 21.125 -22.303 733 HZ2 LYS 26 HZ2 LYS 26 4.050 20.350 -21.963 734 HZ3 LYS 26 HZ3 LYS 26 4.438 20.742 -23.550 735 H GLU 27 HN GLU 27 9.699 20.271 -19.426 736 HA GLU 27 HA GLU 27 10.684 22.879 -19.643 737 HB2 GLU 27 HB2 GLU 27 8.577 24.164 -19.483 738 HB3 GLU 27 HB1 GLU 27 8.733 23.326 -21.021 739 HG2 GLU 27 HG2 GLU 27 7.330 21.487 -19.924 740 HG3 GLU 27 HG1 GLU 27 6.937 22.719 -18.721 741 H TYR 28 HN TYR 28 9.692 24.247 -17.702 742 HA TYR 28 HA TYR 28 9.185 22.453 -15.450 743 HB2 TYR 28 HB2 TYR 28 10.770 23.574 -14.041 744 HB3 TYR 28 HB1 TYR 28 11.611 23.143 -15.524 745 HD1 TYR 28 HD1 TYR 28 10.744 25.775 -13.271 746 HD2 TYR 28 HD2 TYR 28 11.933 24.987 -17.279 747 HE1 TYR 28 HE1 TYR 28 11.452 28.114 -13.515 748 HE2 TYR 28 HE2 TYR 28 12.649 27.327 -17.530 749 HH TYR 28 HH TYR 28 13.040 29.428 -14.935 750 H PHE 29 HN PHE 29 8.143 23.502 -13.643 751 HA PHE 29 HA PHE 29 6.772 26.008 -14.268 752 HB2 PHE 29 HB2 PHE 29 5.476 23.960 -15.129 753 HB3 PHE 29 HB1 PHE 29 5.251 23.525 -13.443 754 HD1 PHE 29 HD1 PHE 29 4.907 26.611 -15.520 755 HD2 PHE 29 HD2 PHE 29 3.182 24.024 -12.618 756 HE1 PHE 29 HE1 PHE 29 2.898 28.026 -15.455 757 HE2 PHE 29 HE2 PHE 29 1.174 25.436 -12.547 758 HZ PHE 29 HZ PHE 29 1.028 27.441 -13.966 759 H TYR 30 HN TYR 30 5.191 26.380 -12.200 760 HA TYR 30 HA TYR 30 6.789 25.722 -9.825 761 HB2 TYR 30 HB2 TYR 30 5.456 28.344 -10.516 762 HB3 TYR 30 HB1 TYR 30 6.130 27.967 -8.933 763 HD1 TYR 30 HD1 TYR 30 6.874 28.925 -12.362 764 HD2 TYR 30 HD2 TYR 30 8.561 27.664 -8.669 765 HE1 TYR 30 HE1 TYR 30 9.091 29.668 -13.126 766 HE2 TYR 30 HE2 TYR 30 10.778 28.405 -9.420 767 HH TYR 30 HH TYR 30 11.241 30.343 -12.174 768 H THR 31 HN THR 31 5.688 25.412 -7.884 769 HA THR 31 HA THR 31 3.124 24.240 -8.152 770 HB THR 31 HB THR 31 3.234 24.084 -5.628 771 HG1 THR 31 HG1 THR 31 4.593 25.491 -4.806 772 HG21 THR 31 HG21 THR 31 4.988 22.384 -5.653 773 HG22 THR 31 HG22 THR 31 5.614 23.033 -7.170 774 HG23 THR 31 HG23 THR 31 4.018 22.287 -7.123 775 H SER 32 HN SER 32 1.388 24.790 -6.481 776 HA SER 32 HA SER 32 0.387 27.368 -7.105 777 HB2 SER 32 HB2 SER 32 -0.611 25.347 -5.099 778 HB3 SER 32 HB1 SER 32 -1.535 26.681 -5.786 779 HG SER 32 HG SER 32 -0.841 24.237 -6.883 780 H SER 33 HN SER 33 -0.385 28.927 -5.473 781 HA SER 33 HA SER 33 1.686 29.511 -3.564 782 HB2 SER 33 HB2 SER 33 -0.903 30.965 -4.136 783 HB3 SER 33 HB1 SER 33 0.447 31.591 -3.188 784 HG SER 33 HG SER 33 1.603 31.870 -4.974 785 H LYS 34 HN LYS 34 -1.066 27.646 -3.521 786 HA LYS 34 HA LYS 34 -1.889 28.076 -0.807 787 HB2 LYS 34 HB2 LYS 34 -2.404 25.796 -2.724 788 HB3 LYS 34 HB1 LYS 34 -3.123 25.911 -1.128 789 HG2 LYS 34 HG2 LYS 34 -3.505 27.965 -3.298 790 HG3 LYS 34 HG1 LYS 34 -4.610 26.625 -2.995 791 HD2 LYS 34 HD2 LYS 34 -4.930 27.472 -0.684 792 HD3 LYS 34 HD1 LYS 34 -3.906 28.853 -1.082 793 HE2 LYS 34 HE2 LYS 34 -5.474 29.523 -2.831 794 HE3 LYS 34 HE1 LYS 34 -6.486 28.125 -2.472 795 HZ1 LYS 34 HZ1 LYS 34 -6.858 29.025 -0.253 796 HZ2 LYS 34 HZ2 LYS 34 -7.359 30.111 -1.440 797 HZ3 LYS 34 HZ3 LYS 34 -5.909 30.377 -0.619 798 H CYS 35 HN CYS 35 0.684 26.482 -2.321 799 HA CYS 35 HA CYS 35 1.123 24.409 -0.425 800 HB2 CYS 35 HB2 CYS 35 3.072 25.700 -2.341 801 HB3 CYS 35 HB1 CYS 35 3.267 24.140 -1.544 802 H SER 36 HN SER 36 2.586 24.354 1.282 803 HA SER 36 HA SER 36 3.040 26.892 2.566 804 HB2 SER 36 HB2 SER 36 3.907 24.149 3.491 805 HB3 SER 36 HB1 SER 36 3.711 25.597 4.479 806 HG SER 36 HG SER 36 1.411 25.410 3.464 807 H ASN 37 HN ASN 37 4.653 25.457 0.185 808 HA ASN 37 HA ASN 37 7.153 26.763 0.836 809 HB2 ASN 37 HB2 ASN 37 8.506 24.774 0.268 810 HB3 ASN 37 HB1 ASN 37 7.519 24.495 1.698 811 HD21 ASN 37 HD21 ASN 37 8.015 23.672 -1.652 812 HD22 ASN 37 HD22 ASN 37 6.935 22.317 -1.679 813 H LEU 38 HN LEU 38 8.584 26.807 -1.084 814 HA LEU 38 HA LEU 38 6.993 26.975 -3.527 815 HB2 LEU 38 HB2 LEU 38 8.494 28.880 -2.663 816 HB3 LEU 38 HB1 LEU 38 9.851 27.877 -3.118 817 HG LEU 38 HG LEU 38 9.368 29.637 -4.779 818 HD11 LEU 38 HD11 LEU 38 10.461 27.625 -5.544 819 HD12 LEU 38 HD12 LEU 38 9.395 28.279 -6.786 820 HD13 LEU 38 HD13 LEU 38 8.896 26.871 -5.847 821 HD21 LEU 38 HD21 LEU 38 7.371 29.521 -6.172 822 HD22 LEU 38 HD22 LEU 38 6.951 29.776 -4.478 823 HD23 LEU 38 HD23 LEU 38 6.764 28.179 -5.204 824 H ALA 39 HN ALA 39 7.155 25.426 -5.014 825 HA ALA 39 HA ALA 39 9.635 23.905 -5.210 826 HB1 ALA 39 HB1 ALA 39 6.900 22.638 -5.050 827 HB2 ALA 39 HB2 ALA 39 8.153 22.551 -3.813 828 HB3 ALA 39 HB3 ALA 39 8.410 21.791 -5.384 829 H VAL 40 HN VAL 40 9.889 22.879 -7.291 830 HA VAL 40 HA VAL 40 8.253 24.228 -9.310 831 HB VAL 40 HB VAL 40 10.054 24.028 -10.881 832 HG11 VAL 40 HG11 VAL 40 11.740 25.446 -9.853 833 HG12 VAL 40 HG12 VAL 40 11.103 25.054 -8.256 834 HG13 VAL 40 HG13 VAL 40 10.111 25.948 -9.409 835 HG21 VAL 40 HG21 VAL 40 12.237 23.083 -10.262 836 HG22 VAL 40 HG22 VAL 40 10.943 21.886 -10.252 837 HG23 VAL 40 HG23 VAL 40 11.548 22.543 -8.728 838 H VAL 41 HN VAL 41 7.920 23.018 -11.285 839 HA VAL 41 HA VAL 41 7.708 20.139 -10.788 840 HB VAL 41 HB VAL 41 5.545 21.828 -12.057 841 HG11 VAL 41 HG11 VAL 41 5.681 18.921 -11.322 842 HG12 VAL 41 HG12 VAL 41 5.585 19.621 -12.940 843 HG13 VAL 41 HG13 VAL 41 4.218 19.763 -11.829 844 HG21 VAL 41 HG21 VAL 41 5.611 20.563 -9.316 845 HG22 VAL 41 HG22 VAL 41 4.224 21.374 -10.043 846 HG23 VAL 41 HG23 VAL 41 5.683 22.291 -9.664 847 H PHE 42 HN PHE 42 8.694 19.058 -12.330 848 HA PHE 42 HA PHE 42 9.300 20.385 -14.854 849 HB2 PHE 42 HB2 PHE 42 10.311 17.837 -13.604 850 HB3 PHE 42 HB1 PHE 42 10.772 18.372 -15.213 851 HD1 PHE 42 HD1 PHE 42 11.401 18.636 -11.715 852 HD2 PHE 42 HD2 PHE 42 11.906 20.623 -15.438 853 HE1 PHE 42 HE1 PHE 42 13.171 20.035 -10.729 854 HE2 PHE 42 HE2 PHE 42 13.674 22.021 -14.466 855 HZ PHE 42 HZ PHE 42 14.315 21.727 -12.109 856 H VAL 43 HN VAL 43 8.244 19.983 -16.641 857 HA VAL 43 HA VAL 43 6.311 17.793 -16.663 858 HB VAL 43 HB VAL 43 6.652 20.161 -18.523 859 HG11 VAL 43 HG11 VAL 43 5.759 18.219 -19.714 860 HG12 VAL 43 HG12 VAL 43 4.547 19.487 -19.537 861 HG13 VAL 43 HG13 VAL 43 4.488 18.060 -18.499 862 HG21 VAL 43 HG21 VAL 43 5.814 20.783 -16.325 863 HG22 VAL 43 HG22 VAL 43 4.555 19.552 -16.439 864 HG23 VAL 43 HG23 VAL 43 4.540 20.934 -17.535 865 H THR 44 HN THR 44 6.915 15.950 -17.556 866 HA THR 44 HA THR 44 9.311 15.726 -19.107 867 HB THR 44 HB THR 44 8.720 13.311 -19.228 868 HG1 THR 44 HG1 THR 44 6.569 13.767 -17.512 869 HG21 THR 44 HG21 THR 44 9.925 14.189 -17.272 870 HG22 THR 44 HG22 THR 44 8.849 12.857 -16.838 871 HG23 THR 44 HG23 THR 44 8.377 14.520 -16.490 872 H ARG 45 HN ARG 45 9.141 14.177 -21.121 873 HA ARG 45 HA ARG 45 7.669 15.575 -23.123 874 HB2 ARG 45 HB2 ARG 45 9.182 12.961 -23.287 875 HB3 ARG 45 HB1 ARG 45 8.559 13.847 -24.670 876 HG2 ARG 45 HG2 ARG 45 10.613 14.900 -22.731 877 HG3 ARG 45 HG1 ARG 45 10.972 14.193 -24.306 878 HD2 ARG 45 HD2 ARG 45 9.788 15.960 -25.431 879 HD3 ARG 45 HD1 ARG 45 9.213 16.611 -23.898 880 HE ARG 45 HE ARG 45 11.976 16.608 -23.763 881 HH11 ARG 45 HH11 ARG 45 9.522 18.155 -25.746 882 HH12 ARG 45 HH12 ARG 45 10.491 19.554 -26.059 883 HH21 ARG 45 HH21 ARG 45 13.230 18.496 -24.172 884 HH22 ARG 45 HH22 ARG 45 12.580 19.746 -25.171 885 H ARG 46 HN ARG 46 6.928 13.013 -21.033 886 HA ARG 46 HA ARG 46 4.739 11.949 -22.631 887 HB2 ARG 46 HB2 ARG 46 5.576 11.490 -19.762 888 HB3 ARG 46 HB1 ARG 46 4.187 10.722 -20.504 889 HG2 ARG 46 HG2 ARG 46 5.689 9.626 -22.113 890 HG3 ARG 46 HG1 ARG 46 7.069 10.361 -21.286 891 HD2 ARG 46 HD2 ARG 46 6.491 9.235 -19.232 892 HD3 ARG 46 HD1 ARG 46 5.026 8.587 -19.961 893 HE ARG 46 HE ARG 46 7.471 7.839 -21.291 894 HH11 ARG 46 HH11 ARG 46 5.113 7.015 -18.825 895 HH12 ARG 46 HH12 ARG 46 5.549 5.342 -18.783 896 HH21 ARG 46 HH21 ARG 46 8.055 5.600 -21.230 897 HH22 ARG 46 HH22 ARG 46 7.226 4.535 -20.148 898 H ASN 47 HN ASN 47 5.283 14.717 -21.029 899 HA ASN 47 HA ASN 47 4.067 16.394 -20.179 900 HB2 ASN 47 HB2 ASN 47 1.704 14.710 -21.010 901 HB3 ASN 47 HB1 ASN 47 1.559 16.333 -20.343 902 HD21 ASN 47 HD21 ASN 47 2.332 14.431 -23.093 903 HD22 ASN 47 HD22 ASN 47 2.542 15.735 -24.207 904 H ARG 48 HN ARG 48 4.759 13.760 -18.793 905 HA ARG 48 HA ARG 48 2.945 13.788 -16.538 906 HB2 ARG 48 HB2 ARG 48 4.041 11.666 -17.439 907 HB3 ARG 48 HB1 ARG 48 5.569 12.281 -16.835 908 HG2 ARG 48 HG2 ARG 48 3.189 11.849 -15.041 909 HG3 ARG 48 HG1 ARG 48 4.349 10.574 -15.398 910 HD2 ARG 48 HD2 ARG 48 5.302 13.224 -14.402 911 HD3 ARG 48 HD1 ARG 48 4.640 12.053 -13.258 912 HE ARG 48 HE ARG 48 6.817 11.221 -15.042 913 HH11 ARG 48 HH11 ARG 48 5.745 12.098 -11.818 914 HH12 ARG 48 HH12 ARG 48 7.130 11.447 -11.016 915 HH21 ARG 48 HH21 ARG 48 8.674 10.354 -13.996 916 HH22 ARG 48 HH22 ARG 48 8.812 10.431 -12.271 917 H GLN 49 HN GLN 49 3.150 15.427 -15.200 918 HA GLN 49 HA GLN 49 5.645 16.827 -14.984 919 HB2 GLN 49 HB2 GLN 49 4.366 18.304 -13.438 920 HB3 GLN 49 HB1 GLN 49 3.721 18.198 -15.063 921 HG2 GLN 49 HG2 GLN 49 2.031 16.618 -14.261 922 HG3 GLN 49 HG1 GLN 49 2.666 16.797 -12.623 923 HE21 GLN 49 HE21 GLN 49 3.252 19.629 -13.128 924 HE22 GLN 49 HE22 GLN 49 1.732 20.453 -13.019 925 H VAL 50 HN VAL 50 6.944 17.008 -13.241 926 HA VAL 50 HA VAL 50 6.445 15.213 -10.960 927 HB VAL 50 HB VAL 50 8.083 14.238 -12.590 928 HG11 VAL 50 HG11 VAL 50 10.281 15.212 -12.839 929 HG12 VAL 50 HG12 VAL 50 9.768 16.602 -11.877 930 HG13 VAL 50 HG13 VAL 50 9.008 16.282 -13.436 931 HG21 VAL 50 HG21 VAL 50 9.820 13.696 -10.939 932 HG22 VAL 50 HG22 VAL 50 8.201 13.618 -10.238 933 HG23 VAL 50 HG23 VAL 50 9.235 15.009 -9.914 934 H CYS 51 HN CYS 51 7.127 16.030 -8.961 935 HA CYS 51 HA CYS 51 7.741 18.889 -8.977 936 HB2 CYS 51 HB2 CYS 51 7.061 17.095 -6.660 937 HB3 CYS 51 HB1 CYS 51 7.173 18.850 -6.626 938 H ALA 52 HN ALA 52 9.407 19.814 -7.781 939 HA ALA 52 HA ALA 52 11.325 18.200 -6.396 940 HB1 ALA 52 HB1 ALA 52 12.176 19.603 -8.929 941 HB2 ALA 52 HB2 ALA 52 12.052 17.856 -8.713 942 HB3 ALA 52 HB3 ALA 52 13.241 18.777 -7.792 943 H ASN 53 HN ASN 53 12.579 19.407 -5.014 944 HA ASN 53 HA ASN 53 11.675 22.086 -4.514 945 HB2 ASN 53 HB2 ASN 53 13.921 20.561 -3.166 946 HB3 ASN 53 HB1 ASN 53 13.171 22.039 -2.579 947 HD21 ASN 53 HD21 ASN 53 10.986 21.937 -1.839 948 HD22 ASN 53 HD22 ASN 53 10.327 20.444 -1.276 949 HA PRO 54 HA PRO 54 14.690 24.157 -7.022 950 HB2 PRO 54 HB2 PRO 54 14.476 26.636 -5.979 951 HB3 PRO 54 HB1 PRO 54 13.166 25.914 -6.922 952 HG2 PRO 54 HG2 PRO 54 13.500 26.026 -3.945 953 HG3 PRO 54 HG1 PRO 54 12.077 26.457 -4.918 954 HD2 PRO 54 HD2 PRO 54 12.266 24.080 -3.695 955 HD3 PRO 54 HD1 PRO 54 11.520 24.240 -5.299 956 H GLU 55 HN GLU 55 15.202 23.299 -3.898 957 HA GLU 55 HA GLU 55 17.556 24.939 -3.466 958 HB2 GLU 55 HB2 GLU 55 16.353 22.792 -1.722 959 HB3 GLU 55 HB1 GLU 55 17.636 23.904 -1.261 960 HG2 GLU 55 HG2 GLU 55 16.064 25.786 -1.603 961 HG3 GLU 55 HG1 GLU 55 14.790 24.615 -1.930 962 H LYS 56 HN LYS 56 17.001 22.325 -5.267 963 HA LYS 56 HA LYS 56 19.482 20.925 -4.534 964 HB2 LYS 56 HB2 LYS 56 17.290 20.097 -6.440 965 HB3 LYS 56 HB1 LYS 56 18.700 19.137 -6.036 966 HG2 LYS 56 HG2 LYS 56 16.557 19.965 -4.082 967 HG3 LYS 56 HG1 LYS 56 16.644 18.401 -4.890 968 HD2 LYS 56 HD2 LYS 56 17.675 17.856 -2.917 969 HD3 LYS 56 HD1 LYS 56 19.082 18.408 -3.824 970 HE2 LYS 56 HE2 LYS 56 18.881 20.622 -2.781 971 HE3 LYS 56 HE1 LYS 56 17.459 20.075 -1.901 972 HZ1 LYS 56 HZ1 LYS 56 20.185 18.940 -1.624 973 HZ2 LYS 56 HZ2 LYS 56 18.822 18.465 -0.752 974 HZ3 LYS 56 HZ3 LYS 56 19.460 20.016 -0.543 975 H LYS 57 HN LYS 57 21.201 20.805 -5.879 976 HA LYS 57 HA LYS 57 21.633 22.876 -7.708 977 HB2 LYS 57 HB2 LYS 57 23.435 21.700 -6.489 978 HB3 LYS 57 HB1 LYS 57 23.164 20.281 -7.491 979 HG2 LYS 57 HG2 LYS 57 23.805 21.545 -9.474 980 HG3 LYS 57 HG1 LYS 57 24.052 22.982 -8.482 981 HD2 LYS 57 HD2 LYS 57 25.792 21.766 -7.214 982 HD3 LYS 57 HD1 LYS 57 25.573 20.383 -8.287 983 HE2 LYS 57 HE2 LYS 57 27.491 21.713 -8.980 984 HE3 LYS 57 HE1 LYS 57 26.220 21.766 -10.201 985 HZ1 LYS 57 HZ1 LYS 57 27.124 23.954 -9.865 986 HZ2 LYS 57 HZ2 LYS 57 26.831 23.877 -8.204 987 HZ3 LYS 57 HZ3 LYS 57 25.538 23.929 -9.284 988 H TRP 58 HN TRP 58 20.702 19.507 -8.260 989 HA TRP 58 HA TRP 58 20.999 19.495 -11.064 990 HB2 TRP 58 HB2 TRP 58 19.163 17.941 -9.237 991 HB3 TRP 58 HB1 TRP 58 19.161 17.705 -10.979 992 HD1 TRP 58 HD1 TRP 58 20.802 16.493 -7.900 993 HE1 TRP 58 HE1 TRP 58 22.802 14.986 -8.474 994 HE3 TRP 58 HE3 TRP 58 21.231 17.572 -12.876 995 HZ2 TRP 58 HZ2 TRP 58 24.353 14.329 -10.736 996 HZ3 TRP 58 HZ3 TRP 58 22.997 16.456 -14.177 997 HH2 TRP 58 HH2 TRP 58 24.526 14.870 -13.127 998 H VAL 59 HN VAL 59 18.371 20.419 -8.968 999 HA VAL 59 HA VAL 59 16.448 20.889 -10.980 1000 HB VAL 59 HB VAL 59 16.672 22.061 -8.193 1001 HG11 VAL 59 HG11 VAL 59 14.307 21.971 -10.060 1002 HG12 VAL 59 HG12 VAL 59 15.215 23.413 -9.607 1003 HG13 VAL 59 HG13 VAL 59 14.282 22.538 -8.391 1004 HG21 VAL 59 HG21 VAL 59 15.096 20.332 -7.548 1005 HG22 VAL 59 HG22 VAL 59 16.535 19.602 -8.267 1006 HG23 VAL 59 HG23 VAL 59 15.048 19.731 -9.204 1007 H GLN 60 HN GLN 60 18.898 22.835 -9.424 1008 HA GLN 60 HA GLN 60 18.167 25.318 -10.541 1009 HB2 GLN 60 HB2 GLN 60 20.814 24.299 -9.510 1010 HB3 GLN 60 HB1 GLN 60 20.517 25.969 -9.970 1011 HG2 GLN 60 HG2 GLN 60 18.965 24.514 -7.856 1012 HG3 GLN 60 HG1 GLN 60 20.384 25.500 -7.525 1013 HE21 GLN 60 HE21 GLN 60 17.061 25.483 -8.461 1014 HE22 GLN 60 HE22 GLN 60 16.779 27.178 -8.288 1015 H GLU 61 HN GLU 61 20.366 22.760 -11.542 1016 HA GLU 61 HA GLU 61 21.369 24.156 -13.777 1017 HB2 GLU 61 HB2 GLU 61 21.209 21.175 -13.309 1018 HB3 GLU 61 HB1 GLU 61 22.123 21.943 -14.599 1019 HG2 GLU 61 HG2 GLU 61 23.337 23.201 -12.733 1020 HG3 GLU 61 HG1 GLU 61 22.633 22.002 -11.651 1021 H TYR 62 HN TYR 62 18.721 21.870 -13.374 1022 HA TYR 62 HA TYR 62 18.076 21.820 -16.139 1023 HB2 TYR 62 HB2 TYR 62 16.616 20.958 -13.662 1024 HB3 TYR 62 HB1 TYR 62 15.787 20.979 -15.215 1025 HD1 TYR 62 HD1 TYR 62 18.743 19.561 -13.462 1026 HD2 TYR 62 HD2 TYR 62 16.066 19.220 -16.740 1027 HE1 TYR 62 HE1 TYR 62 19.705 17.368 -14.013 1028 HE2 TYR 62 HE2 TYR 62 17.023 17.027 -17.295 1029 HH TYR 62 HH TYR 62 18.853 15.237 -15.263 1030 H ILE 63 HN ILE 63 16.961 23.775 -13.444 1031 HA ILE 63 HA ILE 63 14.940 25.142 -14.883 1032 HB ILE 63 HB ILE 63 16.531 25.907 -12.436 1033 HG12 ILE 63 HG12 ILE 63 13.614 25.189 -12.808 1034 HG13 ILE 63 HG11 ILE 63 14.863 24.106 -12.200 1035 HG21 ILE 63 HG21 ILE 63 15.980 27.978 -13.585 1036 HG22 ILE 63 HG22 ILE 63 15.005 27.813 -12.123 1037 HG23 ILE 63 HG23 ILE 63 14.290 27.488 -13.702 1038 HD11 ILE 63 HD11 ILE 63 13.574 24.965 -10.372 1039 HD12 ILE 63 HD12 ILE 63 13.869 26.625 -10.891 1040 HD13 ILE 63 HD13 ILE 63 15.203 25.635 -10.295 1041 H ASN 64 HN ASN 64 18.320 25.928 -14.221 1042 HA ASN 64 HA ASN 64 18.302 28.401 -15.570 1043 HB2 ASN 64 HB2 ASN 64 20.317 28.595 -14.614 1044 HB3 ASN 64 HB1 ASN 64 20.132 26.960 -14.001 1045 HD21 ASN 64 HD21 ASN 64 21.129 25.266 -15.115 1046 HD22 ASN 64 HD22 ASN 64 22.442 25.547 -16.203 1047 H TYR 65 HN TYR 65 18.868 25.124 -16.647 1048 HA TYR 65 HA TYR 65 19.783 25.961 -19.240 1049 HB2 TYR 65 HB2 TYR 65 19.121 23.289 -18.059 1050 HB3 TYR 65 HB1 TYR 65 19.385 23.473 -19.789 1051 HD1 TYR 65 HD1 TYR 65 20.959 22.192 -17.164 1052 HD2 TYR 65 HD2 TYR 65 21.609 25.330 -19.964 1053 HE1 TYR 65 HE1 TYR 65 23.382 22.008 -16.801 1054 HE2 TYR 65 HE2 TYR 65 24.033 25.152 -19.607 1055 HH TYR 65 HH TYR 65 25.482 22.547 -18.120 1056 H LEU 66 HN LEU 66 16.720 24.827 -17.891 1057 HA LEU 66 HA LEU 66 15.472 24.735 -20.468 1058 HB2 LEU 66 HB2 LEU 66 14.314 24.605 -17.688 1059 HB3 LEU 66 HB1 LEU 66 13.339 24.512 -19.139 1060 HG LEU 66 HG LEU 66 15.498 22.568 -18.345 1061 HD11 LEU 66 HD11 LEU 66 13.554 22.462 -16.883 1062 HD12 LEU 66 HD12 LEU 66 13.641 21.041 -17.921 1063 HD13 LEU 66 HD13 LEU 66 12.494 22.329 -18.286 1064 HD21 LEU 66 HD21 LEU 66 14.601 21.208 -20.188 1065 HD22 LEU 66 HD22 LEU 66 15.271 22.731 -20.763 1066 HD23 LEU 66 HD23 LEU 66 13.524 22.532 -20.632 1067 H GLU 67 HN GLU 67 15.881 27.198 -18.023 1068 HA GLU 67 HA GLU 67 13.815 28.899 -19.023 1069 HB2 GLU 67 HB2 GLU 67 14.685 30.605 -17.569 1070 HB3 GLU 67 HB1 GLU 67 14.766 29.072 -16.710 1071 HG2 GLU 67 HG2 GLU 67 17.075 28.938 -16.918 1072 HG3 GLU 67 HG1 GLU 67 17.124 30.154 -18.189 1073 H MET 68 HN MET 68 17.172 28.386 -19.822 1074 HA MET 68 HA MET 68 17.270 30.752 -21.493 1075 HB2 MET 68 HB2 MET 68 19.562 30.089 -22.023 1076 HB3 MET 68 HB1 MET 68 19.299 30.147 -20.288 1077 HG2 MET 68 HG2 MET 68 19.204 27.748 -20.173 1078 HG3 MET 68 HG1 MET 68 19.259 27.630 -21.933 1079 HE1 MET 68 HE1 MET 68 22.794 29.107 -19.344 1080 HE2 MET 68 HE2 MET 68 21.232 28.617 -18.687 1081 HE3 MET 68 HE3 MET 68 21.360 30.086 -19.653 1082 H SER 69 HN SER 69 16.190 27.621 -21.814 1083 HA SER 69 HA SER 69 15.450 26.366 -23.539 1084 HB2 SER 69 HB2 SER 69 15.436 29.023 -24.960 1085 HB3 SER 69 HB1 SER 69 14.533 27.584 -25.440 1086 HG SER 69 HG SER 69 13.261 27.783 -23.648 Start of MODEL 18 1 H1 MET 1 HT1 MET 1 1.433 10.154 -16.610 2 HA MET 1 HA MET 1 1.407 7.962 -15.720 3 HB2 MET 1 HB2 MET 1 2.889 6.232 -16.552 4 HB3 MET 1 HB1 MET 1 1.834 6.759 -17.850 5 HG2 MET 1 HG2 MET 1 4.695 7.638 -17.489 6 HG3 MET 1 HG1 MET 1 4.166 6.341 -18.554 7 HE1 MET 1 HE1 MET 1 5.962 8.680 -19.633 8 HE2 MET 1 HE2 MET 1 5.135 9.080 -21.139 9 HE3 MET 1 HE3 MET 1 5.317 7.394 -20.654 10 H SER 2 HN SER 2 2.688 7.662 -13.960 11 HA SER 2 HA SER 2 4.831 9.623 -13.650 12 HB2 SER 2 HB2 SER 2 2.940 9.651 -12.045 13 HB3 SER 2 HB1 SER 2 3.371 8.017 -11.547 14 HG SER 2 HG SER 2 4.286 10.264 -10.590 15 HA PRO 3 HA PRO 3 7.942 6.444 -13.732 16 HB2 PRO 3 HB2 PRO 3 9.446 8.118 -11.813 17 HB3 PRO 3 HB1 PRO 3 9.901 7.591 -13.436 18 HG2 PRO 3 HG2 PRO 3 9.225 10.136 -12.931 19 HG3 PRO 3 HG1 PRO 3 8.800 9.345 -14.460 20 HD2 PRO 3 HD2 PRO 3 7.086 9.906 -12.073 21 HD3 PRO 3 HD1 PRO 3 6.696 10.025 -13.803 22 H TYR 4 HN TYR 4 7.913 7.955 -10.494 23 HA TYR 4 HA TYR 4 7.489 5.275 -9.355 24 HB2 TYR 4 HB2 TYR 4 9.433 7.384 -8.426 25 HB3 TYR 4 HB1 TYR 4 8.969 5.996 -7.448 26 HD1 TYR 4 HD1 TYR 4 10.938 7.144 -10.289 27 HD2 TYR 4 HD2 TYR 4 9.622 3.731 -8.123 28 HE1 TYR 4 HE1 TYR 4 12.669 5.788 -11.384 29 HE2 TYR 4 HE2 TYR 4 11.346 2.370 -9.208 30 HH TYR 4 HH TYR 4 12.693 2.385 -11.255 31 H GLY 5 HN GLY 5 6.169 8.233 -9.696 32 HA2 GLY 5 HA2 GLY 5 4.042 8.646 -8.643 33 HA3 GLY 5 HA1 GLY 5 4.682 7.925 -7.172 34 H SER 6 HN SER 6 7.166 9.648 -8.221 35 HA SER 6 HA SER 6 6.541 11.871 -6.482 36 HB2 SER 6 HB2 SER 6 8.732 10.710 -6.334 37 HB3 SER 6 HB1 SER 6 9.116 11.262 -7.962 38 HG SER 6 HG SER 6 9.275 13.324 -7.241 39 H ASP 7 HN ASP 7 4.897 12.659 -7.936 40 HA ASP 7 HA ASP 7 5.990 14.650 -9.721 41 HB2 ASP 7 HB2 ASP 7 4.712 14.056 -11.655 42 HB3 ASP 7 HB1 ASP 7 5.568 12.607 -11.148 43 H THR 8 HN THR 8 3.707 15.635 -10.816 44 HA THR 8 HA THR 8 2.753 17.229 -8.767 45 HB THR 8 HB THR 8 0.774 17.429 -10.657 46 HG1 THR 8 HG1 THR 8 3.109 17.060 -12.189 47 HG21 THR 8 HG21 THR 8 3.505 18.727 -10.671 48 HG22 THR 8 HG22 THR 8 2.109 19.264 -9.736 49 HG23 THR 8 HG23 THR 8 2.073 19.339 -11.497 50 H THR 9 HN THR 9 1.682 16.567 -7.074 51 HA THR 9 HA THR 9 -0.335 14.478 -7.346 52 HB THR 9 HB THR 9 0.825 15.692 -4.829 53 HG1 THR 9 HG1 THR 9 2.218 14.403 -6.485 54 HG21 THR 9 HG21 THR 9 -1.325 14.524 -4.541 55 HG22 THR 9 HG22 THR 9 -0.006 13.651 -3.764 56 HG23 THR 9 HG23 THR 9 -0.644 13.089 -5.309 57 HA PRO 10 HA PRO 10 -3.359 17.748 -6.986 58 HB2 PRO 10 HB2 PRO 10 -5.416 15.736 -7.117 59 HB3 PRO 10 HB1 PRO 10 -4.920 16.883 -8.362 60 HG2 PRO 10 HG2 PRO 10 -4.543 14.146 -8.491 61 HG3 PRO 10 HG1 PRO 10 -3.657 15.347 -9.440 62 HD2 PRO 10 HD2 PRO 10 -2.823 13.852 -7.012 63 HD3 PRO 10 HD1 PRO 10 -1.859 14.430 -8.388 64 H CYS 11 HN CYS 11 -3.594 18.531 -4.989 65 HA CYS 11 HA CYS 11 -4.913 16.845 -2.985 66 HB2 CYS 11 HB2 CYS 11 -2.393 16.924 -2.644 67 HB3 CYS 11 HB1 CYS 11 -2.571 18.647 -2.339 68 H CYS 12 HN CYS 12 -5.639 18.293 -1.089 69 HA CYS 12 HA CYS 12 -5.992 21.062 -1.530 70 HB2 CYS 12 HB2 CYS 12 -8.433 21.051 -1.924 71 HB3 CYS 12 HB1 CYS 12 -7.534 20.343 -3.262 72 H PHE 13 HN PHE 13 -7.301 22.058 0.128 73 HA PHE 13 HA PHE 13 -8.396 20.489 2.247 74 HB2 PHE 13 HB2 PHE 13 -5.990 20.342 2.805 75 HB3 PHE 13 HB1 PHE 13 -5.888 22.099 2.812 76 HD1 PHE 13 HD1 PHE 13 -7.773 19.317 4.426 77 HD2 PHE 13 HD2 PHE 13 -6.097 23.207 4.827 78 HE1 PHE 13 HE1 PHE 13 -8.360 19.320 6.810 79 HE2 PHE 13 HE2 PHE 13 -6.685 23.216 7.214 80 HZ PHE 13 HZ PHE 13 -7.817 21.271 8.210 81 H ALA 14 HN ALA 14 -10.229 21.711 1.727 82 HA ALA 14 HA ALA 14 -10.476 24.166 3.132 83 HB1 ALA 14 HB1 ALA 14 -9.353 24.988 1.102 84 HB2 ALA 14 HB2 ALA 14 -10.987 25.624 1.272 85 HB3 ALA 14 HB3 ALA 14 -10.663 24.323 0.127 86 H TYR 15 HN TYR 15 -12.705 25.203 2.385 87 HA TYR 15 HA TYR 15 -14.716 23.457 1.426 88 HB2 TYR 15 HB2 TYR 15 -15.985 23.300 3.606 89 HB3 TYR 15 HB1 TYR 15 -14.518 22.330 3.535 90 HD1 TYR 15 HD1 TYR 15 -15.909 25.510 4.869 91 HD2 TYR 15 HD2 TYR 15 -12.808 22.611 5.121 92 HE1 TYR 15 HE1 TYR 15 -15.101 26.559 6.939 93 HE2 TYR 15 HE2 TYR 15 -11.995 23.650 7.188 94 HH TYR 15 HH TYR 15 -13.794 25.936 8.924 95 H LEU 16 HN LEU 16 -16.982 24.508 2.111 96 HA LEU 16 HA LEU 16 -16.671 27.416 2.228 97 HB2 LEU 16 HB2 LEU 16 -18.316 25.815 0.299 98 HB3 LEU 16 HB1 LEU 16 -18.645 27.490 0.653 99 HG LEU 16 HG LEU 16 -16.088 27.733 -0.045 100 HD11 LEU 16 HD11 LEU 16 -17.072 25.337 -1.579 101 HD12 LEU 16 HD12 LEU 16 -15.744 25.362 -0.418 102 HD13 LEU 16 HD13 LEU 16 -15.604 26.248 -1.939 103 HD21 LEU 16 HD21 LEU 16 -18.378 27.493 -1.991 104 HD22 LEU 16 HD22 LEU 16 -16.871 28.372 -2.259 105 HD23 LEU 16 HD23 LEU 16 -18.000 28.908 -1.011 106 H SER 17 HN SER 17 -18.557 28.521 2.827 107 HA SER 17 HA SER 17 -20.180 27.080 4.754 108 HB2 SER 17 HB2 SER 17 -19.949 30.010 4.047 109 HB3 SER 17 HB1 SER 17 -20.944 29.374 5.364 110 HG SER 17 HG SER 17 -19.167 29.695 6.461 111 H LEU 18 HN LEU 18 -20.261 28.479 1.606 112 HA LEU 18 HA LEU 18 -23.137 27.933 1.363 113 HB2 LEU 18 HB2 LEU 18 -21.343 29.827 -0.161 114 HB3 LEU 18 HB1 LEU 18 -22.925 29.367 -0.743 115 HG LEU 18 HG LEU 18 -23.899 30.360 1.354 116 HD11 LEU 18 HD11 LEU 18 -21.886 30.285 2.745 117 HD12 LEU 18 HD12 LEU 18 -22.557 31.912 2.643 118 HD13 LEU 18 HD13 LEU 18 -21.127 31.488 1.702 119 HD21 LEU 18 HD21 LEU 18 -22.320 32.167 -0.464 120 HD22 LEU 18 HD22 LEU 18 -23.642 32.680 0.583 121 HD23 LEU 18 HD23 LEU 18 -23.952 31.559 -0.742 122 H ALA 19 HN ALA 19 -22.635 25.684 1.079 123 HA ALA 19 HA ALA 19 -20.984 24.750 -1.031 124 HB1 ALA 19 HB1 ALA 19 -21.512 23.380 0.937 125 HB2 ALA 19 HB2 ALA 19 -21.964 22.562 -0.559 126 HB3 ALA 19 HB3 ALA 19 -23.203 23.322 0.440 127 H LEU 20 HN LEU 20 -21.666 23.696 -2.972 128 HA LEU 20 HA LEU 20 -23.858 25.063 -4.238 129 HB2 LEU 20 HB2 LEU 20 -23.113 23.798 -6.283 130 HB3 LEU 20 HB1 LEU 20 -21.917 24.863 -5.582 131 HG LEU 20 HG LEU 20 -21.023 22.699 -4.431 132 HD11 LEU 20 HD11 LEU 20 -21.359 20.669 -5.738 133 HD12 LEU 20 HD12 LEU 20 -22.536 21.507 -6.748 134 HD13 LEU 20 HD13 LEU 20 -22.873 21.240 -5.038 135 HD21 LEU 20 HD21 LEU 20 -19.794 23.977 -6.082 136 HD22 LEU 20 HD22 LEU 20 -20.699 23.203 -7.383 137 HD23 LEU 20 HD23 LEU 20 -19.606 22.249 -6.380 138 HA PRO 21 HA PRO 21 -26.975 22.035 -3.585 139 HB2 PRO 21 HB2 PRO 21 -28.449 22.367 -5.872 140 HB3 PRO 21 HB1 PRO 21 -28.510 23.471 -4.494 141 HG2 PRO 21 HG2 PRO 21 -26.990 23.718 -7.057 142 HG3 PRO 21 HG1 PRO 21 -27.891 24.958 -6.165 143 HD2 PRO 21 HD2 PRO 21 -25.209 24.786 -6.049 144 HD3 PRO 21 HD1 PRO 21 -26.178 25.291 -4.650 145 H ARG 22 HN ARG 22 -27.864 20.053 -4.391 146 HA ARG 22 HA ARG 22 -25.967 18.317 -5.514 147 HB2 ARG 22 HB2 ARG 22 -28.926 18.037 -5.033 148 HB3 ARG 22 HB1 ARG 22 -27.961 16.732 -5.703 149 HG2 ARG 22 HG2 ARG 22 -26.679 16.541 -3.711 150 HG3 ARG 22 HG1 ARG 22 -27.330 18.048 -3.069 151 HD2 ARG 22 HD2 ARG 22 -28.989 15.600 -3.653 152 HD3 ARG 22 HD1 ARG 22 -28.318 15.986 -2.069 153 HE ARG 22 HE ARG 22 -29.688 18.231 -2.792 154 HH11 ARG 22 HH11 ARG 22 -30.584 14.851 -2.512 155 HH12 ARG 22 HH12 ARG 22 -32.207 15.191 -2.016 156 HH21 ARG 22 HH21 ARG 22 -31.835 18.681 -2.145 157 HH22 ARG 22 HH22 ARG 22 -32.918 17.378 -1.797 158 H ALA 23 HN ALA 23 -28.494 20.208 -6.965 159 HA ALA 23 HA ALA 23 -28.614 18.865 -9.454 160 HB1 ALA 23 HB1 ALA 23 -29.263 21.741 -8.814 161 HB2 ALA 23 HB2 ALA 23 -30.376 20.380 -8.685 162 HB3 ALA 23 HB3 ALA 23 -29.757 20.866 -10.263 163 H HIS 24 HN HIS 24 -26.277 20.952 -8.079 164 HA HIS 24 HA HIS 24 -25.196 21.736 -10.659 165 HB2 HIS 24 HB2 HIS 24 -24.767 22.603 -7.854 166 HB3 HIS 24 HB1 HIS 24 -23.438 22.797 -8.987 167 HD1 HIS 24 HD1 HIS 24 -23.407 25.130 -9.790 168 HD2 HIS 24 HD2 HIS 24 -27.285 23.708 -9.348 169 HE1 HIS 24 HE1 HIS 24 -24.896 27.019 -10.505 170 H VAL 25 HN VAL 25 -24.716 19.367 -8.235 171 HA VAL 25 HA VAL 25 -21.996 18.867 -9.157 172 HB VAL 25 HB VAL 25 -22.690 18.905 -6.660 173 HG11 VAL 25 HG11 VAL 25 -23.452 16.065 -7.286 174 HG12 VAL 25 HG12 VAL 25 -24.606 17.355 -6.938 175 HG13 VAL 25 HG13 VAL 25 -23.452 16.842 -5.703 176 HG21 VAL 25 HG21 VAL 25 -21.066 16.610 -7.737 177 HG22 VAL 25 HG22 VAL 25 -20.988 17.270 -6.102 178 HG23 VAL 25 HG23 VAL 25 -20.489 18.256 -7.476 179 H LYS 26 HN LYS 26 -21.333 16.829 -9.895 180 HA LYS 26 HA LYS 26 -23.506 15.216 -11.027 181 HB2 LYS 26 HB2 LYS 26 -22.113 16.381 -12.698 182 HB3 LYS 26 HB1 LYS 26 -20.682 15.607 -12.042 183 HG2 LYS 26 HG2 LYS 26 -21.274 13.518 -12.889 184 HG3 LYS 26 HG1 LYS 26 -22.958 13.988 -13.122 185 HD2 LYS 26 HD2 LYS 26 -21.739 13.861 -15.258 186 HD3 LYS 26 HD1 LYS 26 -22.319 15.491 -14.928 187 HE2 LYS 26 HE2 LYS 26 -20.076 15.621 -15.803 188 HE3 LYS 26 HE1 LYS 26 -20.047 16.079 -14.104 189 HZ1 LYS 26 HZ1 LYS 26 -18.225 14.565 -14.804 190 HZ2 LYS 26 HZ2 LYS 26 -19.377 13.359 -15.076 191 HZ3 LYS 26 HZ3 LYS 26 -19.153 13.983 -13.516 192 H GLU 27 HN GLU 27 -20.302 15.088 -9.494 193 HA GLU 27 HA GLU 27 -21.045 12.693 -8.087 194 HB2 GLU 27 HB2 GLU 27 -19.328 11.234 -8.924 195 HB3 GLU 27 HB1 GLU 27 -20.246 11.827 -10.302 196 HG2 GLU 27 HG2 GLU 27 -17.971 13.490 -9.664 197 HG3 GLU 27 HG1 GLU 27 -17.522 11.828 -10.058 198 H TYR 28 HN TYR 28 -18.902 11.861 -6.912 199 HA TYR 28 HA TYR 28 -17.206 14.117 -6.154 200 HB2 TYR 28 HB2 TYR 28 -17.491 13.754 -3.804 201 HB3 TYR 28 HB1 TYR 28 -19.107 13.861 -4.486 202 HD1 TYR 28 HD1 TYR 28 -16.765 11.821 -2.653 203 HD2 TYR 28 HD2 TYR 28 -20.425 11.734 -4.822 204 HE1 TYR 28 HE1 TYR 28 -17.313 9.653 -1.631 205 HE2 TYR 28 HE2 TYR 28 -20.983 9.569 -3.802 206 HH TYR 28 HH TYR 28 -19.334 8.304 -1.139 207 H PHE 29 HN PHE 29 -15.208 13.410 -5.118 208 HA PHE 29 HA PHE 29 -14.570 10.584 -5.256 209 HB2 PHE 29 HB2 PHE 29 -14.199 11.534 -7.578 210 HB3 PHE 29 HB1 PHE 29 -12.965 12.576 -6.883 211 HD1 PHE 29 HD1 PHE 29 -13.859 8.949 -6.744 212 HD2 PHE 29 HD2 PHE 29 -10.818 11.880 -7.257 213 HE1 PHE 29 HE1 PHE 29 -12.198 7.164 -7.064 214 HE2 PHE 29 HE2 PHE 29 -9.153 10.100 -7.577 215 HZ PHE 29 HZ PHE 29 -9.842 7.738 -7.480 216 H TYR 30 HN TYR 30 -12.389 10.178 -4.322 217 HA TYR 30 HA TYR 30 -11.926 12.044 -2.133 218 HB2 TYR 30 HB2 TYR 30 -10.831 9.272 -2.650 219 HB3 TYR 30 HB1 TYR 30 -10.487 10.236 -1.220 220 HD1 TYR 30 HD1 TYR 30 -13.067 8.321 -3.009 221 HD2 TYR 30 HD2 TYR 30 -12.117 10.469 0.538 222 HE1 TYR 30 HE1 TYR 30 -15.058 7.384 -1.916 223 HE2 TYR 30 HE2 TYR 30 -14.107 9.538 1.641 224 HH TYR 30 HH TYR 30 -16.250 8.557 1.067 225 H THR 31 HN THR 31 -9.776 12.728 -1.552 226 HA THR 31 HA THR 31 -8.255 13.603 -3.786 227 HB THR 31 HB THR 31 -6.640 14.384 -1.962 228 HG1 THR 31 HG1 THR 31 -7.012 13.603 -0.048 229 HG21 THR 31 HG21 THR 31 -8.080 16.219 -1.329 230 HG22 THR 31 HG22 THR 31 -9.508 15.290 -1.786 231 HG23 THR 31 HG23 THR 31 -8.356 15.803 -3.020 232 H SER 32 HN SER 32 -5.700 13.400 -3.412 233 HA SER 32 HA SER 32 -5.107 10.702 -4.032 234 HB2 SER 32 HB2 SER 32 -3.195 12.964 -3.437 235 HB3 SER 32 HB1 SER 32 -2.837 11.480 -4.325 236 HG SER 32 HG SER 32 -4.088 13.783 -5.155 237 H SER 33 HN SER 33 -3.909 9.197 -2.869 238 HA SER 33 HA SER 33 -4.272 9.257 -0.054 239 HB2 SER 33 HB2 SER 33 -2.686 7.331 -1.763 240 HB3 SER 33 HB1 SER 33 -3.172 7.064 -0.088 241 HG SER 33 HG SER 33 -5.260 6.905 -0.694 242 H LYS 34 HN LYS 34 -1.783 10.345 -2.127 243 HA LYS 34 HA LYS 34 0.373 10.201 -0.262 244 HB2 LYS 34 HB2 LYS 34 -0.040 11.724 -2.823 245 HB3 LYS 34 HB1 LYS 34 1.392 11.967 -1.835 246 HG2 LYS 34 HG2 LYS 34 0.523 9.355 -3.059 247 HG3 LYS 34 HG1 LYS 34 1.806 10.405 -3.662 248 HD2 LYS 34 HD2 LYS 34 2.975 10.126 -1.487 249 HD3 LYS 34 HD1 LYS 34 1.729 8.973 -1.010 250 HE2 LYS 34 HE2 LYS 34 2.331 7.575 -2.954 251 HE3 LYS 34 HE1 LYS 34 3.625 8.708 -3.338 252 HZ1 LYS 34 HZ1 LYS 34 4.511 6.865 -2.104 253 HZ2 LYS 34 HZ2 LYS 34 3.381 7.087 -0.865 254 HZ3 LYS 34 HZ3 LYS 34 4.572 8.248 -1.133 255 H CYS 35 HN CYS 35 -2.321 12.246 -0.591 256 HA CYS 35 HA CYS 35 -1.232 14.602 0.565 257 HB2 CYS 35 HB2 CYS 35 -4.103 13.654 0.472 258 HB3 CYS 35 HB1 CYS 35 -3.564 15.296 0.805 259 H SER 36 HN SER 36 -1.257 15.277 2.683 260 HA SER 36 HA SER 36 -1.196 13.209 4.650 261 HB2 SER 36 HB2 SER 36 -0.997 16.212 4.952 262 HB3 SER 36 HB1 SER 36 -0.644 15.035 6.217 263 HG SER 36 HG SER 36 0.667 15.058 3.695 264 H ASN 37 HN ASN 37 -3.581 15.388 3.486 265 HA ASN 37 HA ASN 37 -5.379 14.525 5.648 266 HB2 ASN 37 HB2 ASN 37 -6.629 16.594 5.435 267 HB3 ASN 37 HB1 ASN 37 -4.936 16.983 5.707 268 HD21 ASN 37 HD21 ASN 37 -7.569 17.049 3.444 269 HD22 ASN 37 HD22 ASN 37 -6.803 18.063 2.267 270 H LEU 38 HN LEU 38 -7.470 13.923 5.053 271 HA LEU 38 HA LEU 38 -7.703 13.186 2.240 272 HB2 LEU 38 HB2 LEU 38 -7.968 11.408 3.923 273 HB3 LEU 38 HB1 LEU 38 -9.315 12.280 4.625 274 HG LEU 38 HG LEU 38 -10.543 12.016 2.469 275 HD11 LEU 38 HD11 LEU 38 -9.740 10.327 0.881 276 HD12 LEU 38 HD12 LEU 38 -8.224 10.222 1.776 277 HD13 LEU 38 HD13 LEU 38 -8.670 11.725 0.969 278 HD21 LEU 38 HD21 LEU 38 -10.957 10.516 4.340 279 HD22 LEU 38 HD22 LEU 38 -9.640 9.471 3.807 280 HD23 LEU 38 HD23 LEU 38 -11.082 9.655 2.807 281 H ALA 39 HN ALA 39 -9.050 14.196 0.936 282 HA ALA 39 HA ALA 39 -11.324 15.637 2.072 283 HB1 ALA 39 HB1 ALA 39 -9.401 16.789 0.048 284 HB2 ALA 39 HB2 ALA 39 -9.558 17.296 1.729 285 HB3 ALA 39 HB3 ALA 39 -10.891 17.554 0.602 286 H VAL 40 HN VAL 40 -12.691 16.451 0.035 287 HA VAL 40 HA VAL 40 -12.646 14.287 -1.931 288 HB VAL 40 HB VAL 40 -15.118 14.321 -2.023 289 HG11 VAL 40 HG11 VAL 40 -13.985 12.610 -0.751 290 HG12 VAL 40 HG12 VAL 40 -15.494 13.065 0.042 291 HG13 VAL 40 HG13 VAL 40 -13.952 13.659 0.666 292 HG21 VAL 40 HG21 VAL 40 -16.391 15.329 -0.208 293 HG22 VAL 40 HG22 VAL 40 -15.495 16.548 -1.113 294 HG23 VAL 40 HG23 VAL 40 -14.909 16.012 0.463 295 H VAL 41 HN VAL 41 -13.318 14.763 -3.947 296 HA VAL 41 HA VAL 41 -13.412 17.622 -4.601 297 HB VAL 41 HB VAL 41 -12.441 15.357 -6.358 298 HG11 VAL 41 HG11 VAL 41 -12.305 18.347 -6.718 299 HG12 VAL 41 HG12 VAL 41 -13.339 17.232 -7.613 300 HG13 VAL 41 HG13 VAL 41 -11.586 17.148 -7.792 301 HG21 VAL 41 HG21 VAL 41 -10.831 17.401 -4.827 302 HG22 VAL 41 HG22 VAL 41 -10.182 16.245 -5.991 303 HG23 VAL 41 HG23 VAL 41 -10.910 15.671 -4.490 304 H PHE 42 HN PHE 42 -15.267 18.268 -5.415 305 HA PHE 42 HA PHE 42 -17.155 16.257 -6.381 306 HB2 PHE 42 HB2 PHE 42 -17.520 19.125 -5.532 307 HB3 PHE 42 HB1 PHE 42 -18.801 18.163 -6.248 308 HD1 PHE 42 HD1 PHE 42 -16.822 18.804 -3.286 309 HD2 PHE 42 HD2 PHE 42 -19.736 16.251 -5.032 310 HE1 PHE 42 HE1 PHE 42 -17.379 17.915 -1.063 311 HE2 PHE 42 HE2 PHE 42 -20.304 15.365 -2.815 312 HZ PHE 42 HZ PHE 42 -19.131 16.194 -0.827 313 H VAL 43 HN VAL 43 -17.717 16.119 -8.418 314 HA VAL 43 HA VAL 43 -16.580 18.067 -10.284 315 HB VAL 43 HB VAL 43 -17.755 15.339 -10.879 316 HG11 VAL 43 HG11 VAL 43 -17.844 16.882 -12.760 317 HG12 VAL 43 HG12 VAL 43 -16.684 15.585 -13.045 318 HG13 VAL 43 HG13 VAL 43 -16.113 17.196 -12.590 319 HG21 VAL 43 HG21 VAL 43 -15.440 14.581 -11.165 320 HG22 VAL 43 HG22 VAL 43 -15.746 15.119 -9.513 321 HG23 VAL 43 HG23 VAL 43 -14.859 16.158 -10.629 322 H THR 44 HN THR 44 -17.904 19.542 -11.056 323 HA THR 44 HA THR 44 -20.723 19.415 -10.497 324 HB THR 44 HB THR 44 -20.827 21.652 -11.525 325 HG1 THR 44 HG1 THR 44 -18.025 21.460 -11.868 326 HG21 THR 44 HG21 THR 44 -20.161 21.439 -9.166 327 HG22 THR 44 HG22 THR 44 -19.355 22.804 -9.945 328 HG23 THR 44 HG23 THR 44 -18.474 21.303 -9.666 329 H ARG 45 HN ARG 45 -22.209 20.296 -12.326 330 HA ARG 45 HA ARG 45 -22.294 18.334 -14.378 331 HB2 ARG 45 HB2 ARG 45 -23.880 20.889 -14.069 332 HB3 ARG 45 HB1 ARG 45 -24.248 19.610 -15.216 333 HG2 ARG 45 HG2 ARG 45 -24.214 19.261 -12.224 334 HG3 ARG 45 HG1 ARG 45 -25.660 19.565 -13.187 335 HD2 ARG 45 HD2 ARG 45 -25.310 17.501 -14.409 336 HD3 ARG 45 HD1 ARG 45 -23.810 17.207 -13.533 337 HE ARG 45 HE ARG 45 -25.345 17.204 -11.484 338 HH11 ARG 45 HH11 ARG 45 -26.279 16.028 -14.663 339 HH12 ARG 45 HH12 ARG 45 -27.454 14.925 -14.049 340 HH21 ARG 45 HH21 ARG 45 -26.900 15.721 -10.671 341 HH22 ARG 45 HH22 ARG 45 -27.801 14.737 -11.771 342 H ARG 46 HN ARG 46 -20.738 21.340 -14.116 343 HA ARG 46 HA ARG 46 -20.434 21.613 -17.008 344 HB2 ARG 46 HB2 ARG 46 -19.741 23.361 -14.667 345 HB3 ARG 46 HB1 ARG 46 -18.925 23.601 -16.203 346 HG2 ARG 46 HG2 ARG 46 -20.711 25.128 -16.151 347 HG3 ARG 46 HG1 ARG 46 -21.198 23.840 -17.246 348 HD2 ARG 46 HD2 ARG 46 -22.533 22.831 -15.462 349 HD3 ARG 46 HD1 ARG 46 -22.042 24.122 -14.364 350 HE ARG 46 HE ARG 46 -23.229 25.111 -16.762 351 HH11 ARG 46 HH11 ARG 46 -23.962 23.817 -13.585 352 HH12 ARG 46 HH12 ARG 46 -25.522 24.552 -13.503 353 HH21 ARG 46 HH21 ARG 46 -25.304 26.102 -16.636 354 HH22 ARG 46 HH22 ARG 46 -26.281 25.852 -15.234 355 H ASN 47 HN ASN 47 -19.262 19.609 -14.917 356 HA ASN 47 HA ASN 47 -17.452 18.308 -14.715 357 HB2 ASN 47 HB2 ASN 47 -16.761 19.591 -17.351 358 HB3 ASN 47 HB1 ASN 47 -15.695 18.417 -16.587 359 HD21 ASN 47 HD21 ASN 47 -18.703 18.916 -18.222 360 HD22 ASN 47 HD22 ASN 47 -19.099 17.245 -18.434 361 H ARG 48 HN ARG 48 -17.541 21.237 -13.851 362 HA ARG 48 HA ARG 48 -14.735 21.883 -13.520 363 HB2 ARG 48 HB2 ARG 48 -16.399 23.699 -13.739 364 HB3 ARG 48 HB1 ARG 48 -17.223 23.121 -12.300 365 HG2 ARG 48 HG2 ARG 48 -14.968 23.506 -11.114 366 HG3 ARG 48 HG1 ARG 48 -14.571 24.489 -12.522 367 HD2 ARG 48 HD2 ARG 48 -16.996 24.870 -10.772 368 HD3 ARG 48 HD1 ARG 48 -15.504 25.794 -10.638 369 HE ARG 48 HE ARG 48 -16.190 26.211 -13.200 370 HH11 ARG 48 HH11 ARG 48 -18.101 26.379 -10.256 371 HH12 ARG 48 HH12 ARG 48 -19.072 27.694 -10.812 372 HH21 ARG 48 HH21 ARG 48 -17.506 27.945 -13.940 373 HH22 ARG 48 HH22 ARG 48 -18.749 28.576 -12.919 374 H GLN 49 HN GLN 49 -13.554 21.450 -11.705 375 HA GLN 49 HA GLN 49 -14.858 19.682 -9.785 376 HB2 GLN 49 HB2 GLN 49 -11.919 20.191 -10.217 377 HB3 GLN 49 HB1 GLN 49 -12.631 18.986 -9.154 378 HG2 GLN 49 HG2 GLN 49 -13.592 17.841 -11.067 379 HG3 GLN 49 HG1 GLN 49 -12.902 19.052 -12.146 380 HE21 GLN 49 HE21 GLN 49 -11.251 17.901 -9.326 381 HE22 GLN 49 HE22 GLN 49 -10.019 17.015 -10.163 382 H VAL 50 HN VAL 50 -14.560 19.915 -7.570 383 HA VAL 50 HA VAL 50 -13.447 22.407 -6.557 384 HB VAL 50 HB VAL 50 -15.867 22.846 -6.992 385 HG11 VAL 50 HG11 VAL 50 -16.686 20.606 -6.735 386 HG12 VAL 50 HG12 VAL 50 -17.569 21.727 -5.689 387 HG13 VAL 50 HG13 VAL 50 -16.332 20.663 -5.009 388 HG21 VAL 50 HG21 VAL 50 -15.134 22.723 -4.070 389 HG22 VAL 50 HG22 VAL 50 -16.424 23.707 -4.762 390 HG23 VAL 50 HG23 VAL 50 -14.741 24.033 -5.181 391 H CYS 51 HN CYS 51 -12.632 22.157 -4.498 392 HA CYS 51 HA CYS 51 -12.769 19.427 -3.436 393 HB2 CYS 51 HB2 CYS 51 -10.766 21.630 -3.041 394 HB3 CYS 51 HB1 CYS 51 -10.761 20.141 -2.101 395 H ALA 52 HN ALA 52 -13.287 18.979 -1.335 396 HA ALA 52 HA ALA 52 -13.844 21.140 0.516 397 HB1 ALA 52 HB1 ALA 52 -16.014 19.219 -0.330 398 HB2 ALA 52 HB2 ALA 52 -15.953 20.938 -0.719 399 HB3 ALA 52 HB3 ALA 52 -16.139 20.418 0.956 400 H ASN 53 HN ASN 53 -13.815 20.466 2.645 401 HA ASN 53 HA ASN 53 -12.634 17.881 3.115 402 HB2 ASN 53 HB2 ASN 53 -13.357 20.136 5.006 403 HB3 ASN 53 HB1 ASN 53 -12.596 18.634 5.519 404 HD21 ASN 53 HD21 ASN 53 -10.919 18.403 3.165 405 HD22 ASN 53 HD22 ASN 53 -9.683 19.594 3.334 406 HA PRO 54 HA PRO 54 -16.537 15.848 3.588 407 HB2 PRO 54 HB2 PRO 54 -15.611 13.543 4.699 408 HB3 PRO 54 HB1 PRO 54 -15.443 13.926 2.980 409 HG2 PRO 54 HG2 PRO 54 -13.457 14.282 5.196 410 HG3 PRO 54 HG1 PRO 54 -13.210 13.575 3.585 411 HD2 PRO 54 HD2 PRO 54 -12.480 16.088 4.112 412 HD3 PRO 54 HD1 PRO 54 -13.201 15.655 2.545 413 H GLU 55 HN GLU 55 -14.627 16.920 6.153 414 HA GLU 55 HA GLU 55 -15.975 15.695 8.322 415 HB2 GLU 55 HB2 GLU 55 -14.398 18.266 8.225 416 HB3 GLU 55 HB1 GLU 55 -14.914 17.453 9.696 417 HG2 GLU 55 HG2 GLU 55 -13.572 15.499 9.063 418 HG3 GLU 55 HG1 GLU 55 -13.026 16.360 7.625 419 H LYS 56 HN LYS 56 -16.895 18.151 6.181 420 HA LYS 56 HA LYS 56 -18.685 19.484 8.010 421 HB2 LYS 56 HB2 LYS 56 -18.259 19.739 5.033 422 HB3 LYS 56 HB1 LYS 56 -19.445 20.682 5.922 423 HG2 LYS 56 HG2 LYS 56 -16.467 20.712 6.384 424 HG3 LYS 56 HG1 LYS 56 -17.396 21.940 5.521 425 HD2 LYS 56 HD2 LYS 56 -18.663 22.420 7.559 426 HD3 LYS 56 HD1 LYS 56 -17.756 21.178 8.421 427 HE2 LYS 56 HE2 LYS 56 -15.691 22.423 8.076 428 HE3 LYS 56 HE1 LYS 56 -16.570 23.650 7.166 429 HZ1 LYS 56 HZ1 LYS 56 -17.032 22.983 10.023 430 HZ2 LYS 56 HZ2 LYS 56 -17.825 24.186 9.144 431 HZ3 LYS 56 HZ3 LYS 56 -16.173 24.328 9.463 432 H LYS 57 HN LYS 57 -20.796 19.134 8.252 433 HA LYS 57 HA LYS 57 -21.838 16.614 7.715 434 HB2 LYS 57 HB2 LYS 57 -22.573 18.153 9.527 435 HB3 LYS 57 HB1 LYS 57 -23.428 19.103 8.320 436 HG2 LYS 57 HG2 LYS 57 -24.850 17.210 7.809 437 HG3 LYS 57 HG1 LYS 57 -23.958 16.210 8.957 438 HD2 LYS 57 HD2 LYS 57 -24.594 17.886 10.728 439 HD3 LYS 57 HD1 LYS 57 -25.679 18.607 9.539 440 HE2 LYS 57 HE2 LYS 57 -26.885 17.059 10.972 441 HE3 LYS 57 HE1 LYS 57 -26.844 16.469 9.311 442 HZ1 LYS 57 HZ1 LYS 57 -25.082 15.547 11.517 443 HZ2 LYS 57 HZ2 LYS 57 -25.038 14.988 9.925 444 HZ3 LYS 57 HZ3 LYS 57 -26.395 14.701 10.877 445 H TRP 58 HN TRP 58 -22.276 19.648 5.953 446 HA TRP 58 HA TRP 58 -24.337 18.675 4.271 447 HB2 TRP 58 HB2 TRP 58 -22.444 20.994 4.061 448 HB3 TRP 58 HB1 TRP 58 -23.501 20.577 2.716 449 HD1 TRP 58 HD1 TRP 58 -23.450 22.639 5.749 450 HE1 TRP 58 HE1 TRP 58 -25.823 23.425 6.363 451 HE3 TRP 58 HE3 TRP 58 -26.144 19.518 2.733 452 HZ2 TRP 58 HZ2 TRP 58 -28.485 22.805 5.657 453 HZ3 TRP 58 HZ3 TRP 58 -28.598 19.677 2.759 454 HH2 TRP 58 HH2 TRP 58 -29.743 21.288 4.193 455 H VAL 59 HN VAL 59 -20.867 18.566 4.118 456 HA VAL 59 HA VAL 59 -20.696 17.655 1.438 457 HB VAL 59 HB VAL 59 -18.751 17.267 3.739 458 HG11 VAL 59 HG11 VAL 59 -18.330 15.670 1.957 459 HG12 VAL 59 HG12 VAL 59 -17.069 16.906 1.981 460 HG13 VAL 59 HG13 VAL 59 -18.344 16.972 0.769 461 HG21 VAL 59 HG21 VAL 59 -17.562 19.177 2.812 462 HG22 VAL 59 HG22 VAL 59 -19.217 19.626 3.227 463 HG23 VAL 59 HG23 VAL 59 -18.777 19.338 1.545 464 H GLN 60 HN GLN 60 -21.002 16.139 4.577 465 HA GLN 60 HA GLN 60 -20.727 13.456 3.751 466 HB2 GLN 60 HB2 GLN 60 -22.137 14.710 6.102 467 HB3 GLN 60 HB1 GLN 60 -21.994 12.975 5.882 468 HG2 GLN 60 HG2 GLN 60 -19.636 14.818 6.029 469 HG3 GLN 60 HG1 GLN 60 -20.342 14.038 7.438 470 HE21 GLN 60 HE21 GLN 60 -18.420 13.644 4.623 471 HE22 GLN 60 HE22 GLN 60 -17.935 12.010 4.910 472 H GLU 61 HN GLU 61 -23.500 15.591 4.162 473 HA GLU 61 HA GLU 61 -25.465 13.678 3.563 474 HB2 GLU 61 HB2 GLU 61 -25.483 16.675 3.218 475 HB3 GLU 61 HB1 GLU 61 -26.904 15.645 3.087 476 HG2 GLU 61 HG2 GLU 61 -25.188 15.825 5.537 477 HG3 GLU 61 HG1 GLU 61 -26.630 16.795 5.273 478 H TYR 62 HN TYR 62 -23.745 16.018 1.569 479 HA TYR 62 HA TYR 62 -25.129 15.354 -0.815 480 HB2 TYR 62 HB2 TYR 62 -22.625 16.867 -0.204 481 HB3 TYR 62 HB1 TYR 62 -22.955 16.400 -1.871 482 HD1 TYR 62 HD1 TYR 62 -24.933 17.822 0.985 483 HD2 TYR 62 HD2 TYR 62 -23.924 18.049 -3.138 484 HE1 TYR 62 HE1 TYR 62 -26.444 19.744 0.726 485 HE2 TYR 62 HE2 TYR 62 -25.428 19.968 -3.400 486 HH TYR 62 HH TYR 62 -26.755 21.658 -0.772 487 H ILE 63 HN ILE 63 -22.149 14.207 0.629 488 HA ILE 63 HA ILE 63 -21.345 12.508 -1.468 489 HB ILE 63 HB ILE 63 -20.844 12.502 1.498 490 HG12 ILE 63 HG12 ILE 63 -18.997 12.820 -0.876 491 HG13 ILE 63 HG11 ILE 63 -19.664 14.138 0.082 492 HG21 ILE 63 HG21 ILE 63 -20.948 10.170 0.904 493 HG22 ILE 63 HG22 ILE 63 -19.277 10.641 1.223 494 HG23 ILE 63 HG23 ILE 63 -19.834 10.432 -0.439 495 HD11 ILE 63 HD11 ILE 63 -18.477 13.279 2.051 496 HD12 ILE 63 HD12 ILE 63 -17.385 13.691 0.730 497 HD13 ILE 63 HD13 ILE 63 -17.779 12.002 1.053 498 H ASN 64 HN ASN 64 -23.344 11.945 1.379 499 HA ASN 64 HA ASN 64 -23.823 9.220 0.892 500 HB2 ASN 64 HB2 ASN 64 -24.504 9.436 3.009 501 HB3 ASN 64 HB1 ASN 64 -24.537 11.185 2.860 502 HD21 ASN 64 HD21 ASN 64 -26.456 12.198 2.384 503 HD22 ASN 64 HD22 ASN 64 -27.987 11.419 2.585 504 H TYR 65 HN TYR 65 -25.452 12.138 -0.159 505 HA TYR 65 HA TYR 65 -27.694 10.748 -1.276 506 HB2 TYR 65 HB2 TYR 65 -26.680 13.565 -1.614 507 HB3 TYR 65 HB1 TYR 65 -28.050 12.956 -2.533 508 HD1 TYR 65 HD1 TYR 65 -27.498 15.090 -0.073 509 HD2 TYR 65 HD2 TYR 65 -29.543 11.393 -0.580 510 HE1 TYR 65 HE1 TYR 65 -28.981 15.659 1.801 511 HE2 TYR 65 HE2 TYR 65 -31.029 11.954 1.293 512 HH TYR 65 HH TYR 65 -31.067 13.361 3.246 513 H LEU 66 HN LEU 66 -24.630 11.948 -2.533 514 HA LEU 66 HA LEU 66 -25.245 11.279 -5.237 515 HB2 LEU 66 HB2 LEU 66 -22.614 11.859 -3.891 516 HB3 LEU 66 HB1 LEU 66 -22.783 11.573 -5.611 517 HG LEU 66 HG LEU 66 -24.033 13.834 -4.067 518 HD11 LEU 66 HD11 LEU 66 -21.612 14.027 -4.260 519 HD12 LEU 66 HD12 LEU 66 -22.428 15.224 -5.263 520 HD13 LEU 66 HD13 LEU 66 -21.724 13.788 -6.003 521 HD21 LEU 66 HD21 LEU 66 -25.403 13.144 -5.968 522 HD22 LEU 66 HD22 LEU 66 -23.997 13.243 -7.028 523 HD23 LEU 66 HD23 LEU 66 -24.638 14.702 -6.273 524 H GLU 67 HN GLU 67 -23.699 9.553 -2.591 525 HA GLU 67 HA GLU 67 -22.681 7.464 -4.219 526 HB2 GLU 67 HB2 GLU 67 -22.148 6.306 -2.199 527 HB3 GLU 67 HB1 GLU 67 -21.867 8.015 -1.906 528 HG2 GLU 67 HG2 GLU 67 -23.959 8.176 -0.701 529 HG3 GLU 67 HG1 GLU 67 -24.298 6.481 -1.034 530 H MET 68 HN MET 68 -25.787 8.056 -2.750 531 HA MET 68 HA MET 68 -26.673 5.349 -3.329 532 HB2 MET 68 HB2 MET 68 -28.805 5.977 -2.313 533 HB3 MET 68 HB1 MET 68 -27.463 6.375 -1.254 534 HG2 MET 68 HG2 MET 68 -27.653 8.707 -1.788 535 HG3 MET 68 HG1 MET 68 -28.853 8.363 -3.035 536 HE1 MET 68 HE1 MET 68 -29.637 7.724 1.476 537 HE2 MET 68 HE2 MET 68 -28.088 8.257 0.821 538 HE3 MET 68 HE3 MET 68 -28.667 6.622 0.500 539 H SER 69 HN SER 69 -26.942 8.558 -4.671 540 HA SER 69 HA SER 69 -27.954 9.407 -6.511 541 HB2 SER 69 HB2 SER 69 -27.298 6.641 -7.513 542 HB3 SER 69 HB1 SER 69 -27.716 8.015 -8.540 543 HG SER 69 HG SER 69 -25.575 8.088 -6.683 544 H1 MET 1 HT1 MET 1 -9.725 24.504 -12.489 545 HA MET 1 HA MET 1 -9.725 26.880 -12.320 546 HB2 MET 1 HB2 MET 1 -11.619 28.182 -13.144 547 HB3 MET 1 HB1 MET 1 -10.797 27.383 -14.472 548 HG2 MET 1 HG2 MET 1 -13.325 26.362 -13.192 549 HG3 MET 1 HG1 MET 1 -13.282 27.388 -14.621 550 HE1 MET 1 HE1 MET 1 -14.322 23.902 -16.082 551 HE2 MET 1 HE2 MET 1 -14.650 25.632 -16.138 552 HE3 MET 1 HE3 MET 1 -14.853 24.746 -14.627 553 H SER 2 HN SER 2 -10.829 27.880 -10.595 554 HA SER 2 HA SER 2 -12.247 25.940 -8.945 555 HB2 SER 2 HB2 SER 2 -10.135 27.377 -8.288 556 HB3 SER 2 HB1 SER 2 -11.343 28.617 -7.959 557 HG SER 2 HG SER 2 -10.773 26.261 -6.651 558 HA PRO 3 HA PRO 3 -16.106 28.195 -9.353 559 HB2 PRO 3 HB2 PRO 3 -16.775 27.283 -6.639 560 HB3 PRO 3 HB1 PRO 3 -17.560 26.891 -8.169 561 HG2 PRO 3 HG2 PRO 3 -16.107 25.081 -6.804 562 HG3 PRO 3 HG1 PRO 3 -16.177 25.095 -8.575 563 HD2 PRO 3 HD2 PRO 3 -14.031 26.105 -6.750 564 HD3 PRO 3 HD1 PRO 3 -13.890 25.223 -8.287 565 H TYR 4 HN TYR 4 -14.033 28.439 -6.562 566 HA TYR 4 HA TYR 4 -14.559 31.266 -6.342 567 HB2 TYR 4 HB2 TYR 4 -16.284 30.088 -4.875 568 HB3 TYR 4 HB1 TYR 4 -14.936 29.558 -3.877 569 HD1 TYR 4 HD1 TYR 4 -17.187 32.259 -4.657 570 HD2 TYR 4 HD2 TYR 4 -13.520 31.311 -2.719 571 HE1 TYR 4 HE1 TYR 4 -17.305 34.372 -3.410 572 HE2 TYR 4 HE2 TYR 4 -13.631 33.425 -1.469 573 HH TYR 4 HH TYR 4 -14.722 35.712 -1.812 574 H GLY 5 HN GLY 5 -13.138 28.619 -4.423 575 HA2 GLY 5 HA2 GLY 5 -10.467 29.228 -5.017 576 HA3 GLY 5 HA1 GLY 5 -10.908 30.067 -3.534 577 H SER 6 HN SER 6 -11.559 26.859 -4.920 578 HA SER 6 HA SER 6 -10.144 25.477 -2.894 579 HB2 SER 6 HB2 SER 6 -12.146 26.214 -1.593 580 HB3 SER 6 HB1 SER 6 -13.168 25.331 -2.724 581 HG SER 6 HG SER 6 -12.661 23.528 -1.753 582 H ASP 7 HN ASP 7 -9.282 24.395 -4.606 583 HA ASP 7 HA ASP 7 -10.896 22.259 -5.693 584 HB2 ASP 7 HB2 ASP 7 -10.554 22.757 -8.007 585 HB3 ASP 7 HB1 ASP 7 -11.254 24.186 -7.259 586 H THR 8 HN THR 8 -9.349 21.126 -7.476 587 HA THR 8 HA THR 8 -7.349 19.884 -6.033 588 HB THR 8 HB THR 8 -6.526 19.147 -8.366 589 HG1 THR 8 HG1 THR 8 -7.841 21.105 -9.209 590 HG21 THR 8 HG21 THR 8 -9.378 18.631 -7.505 591 HG22 THR 8 HG22 THR 8 -7.945 17.785 -6.912 592 HG23 THR 8 HG23 THR 8 -8.433 17.620 -8.600 593 H THR 9 HN THR 9 -5.612 20.783 -5.238 594 HA THR 9 HA THR 9 -4.177 22.786 -6.801 595 HB THR 9 HB THR 9 -3.769 22.064 -3.895 596 HG1 THR 9 HG1 THR 9 -5.960 23.019 -4.838 597 HG21 THR 9 HG21 THR 9 -1.951 23.328 -4.907 598 HG22 THR 9 HG22 THR 9 -2.854 24.360 -3.797 599 HG23 THR 9 HG23 THR 9 -3.098 24.510 -5.535 600 HA PRO 10 HA PRO 10 -1.144 19.572 -7.577 601 HB2 PRO 10 HB2 PRO 10 0.652 21.179 -8.855 602 HB3 PRO 10 HB1 PRO 10 -0.783 20.505 -9.644 603 HG2 PRO 10 HG2 PRO 10 -0.295 23.243 -8.577 604 HG3 PRO 10 HG1 PRO 10 -1.216 22.742 -10.005 605 HD2 PRO 10 HD2 PRO 10 -2.352 23.475 -7.623 606 HD3 PRO 10 HD1 PRO 10 -3.122 22.387 -8.794 607 H CYS 11 HN CYS 11 -0.011 18.923 -5.862 608 HA CYS 11 HA CYS 11 2.158 20.649 -4.919 609 HB2 CYS 11 HB2 CYS 11 0.186 20.727 -3.324 610 HB3 CYS 11 HB1 CYS 11 0.417 19.004 -3.061 611 H CYS 12 HN CYS 12 3.707 19.218 -3.535 612 HA CYS 12 HA CYS 12 3.703 16.427 -3.964 613 HB2 CYS 12 HB2 CYS 12 5.684 16.340 -5.504 614 HB3 CYS 12 HB1 CYS 12 4.203 16.918 -6.256 615 H PHE 13 HN PHE 13 5.294 15.383 -2.795 616 HA PHE 13 HA PHE 13 7.484 16.942 -1.716 617 HB2 PHE 13 HB2 PHE 13 5.761 17.289 -0.045 618 HB3 PHE 13 HB1 PHE 13 5.487 15.554 0.086 619 HD1 PHE 13 HD1 PHE 13 8.263 18.033 0.384 620 HD2 PHE 13 HD2 PHE 13 6.492 14.452 1.845 621 HE1 PHE 13 HE1 PHE 13 9.948 17.934 2.171 622 HE2 PHE 13 HE2 PHE 13 8.173 14.347 3.633 623 HZ PHE 13 HZ PHE 13 9.903 16.089 3.798 624 H ALA 14 HN ALA 14 8.721 15.632 -3.041 625 HA ALA 14 HA ALA 14 9.812 13.374 -1.770 626 HB1 ALA 14 HB1 ALA 14 7.837 12.240 -2.699 627 HB2 ALA 14 HB2 ALA 14 9.309 11.698 -3.505 628 HB3 ALA 14 HB3 ALA 14 8.238 12.849 -4.306 629 H TYR 15 HN TYR 15 11.416 12.351 -3.494 630 HA TYR 15 HA TYR 15 12.245 14.288 -5.468 631 HB2 TYR 15 HB2 TYR 15 14.543 14.475 -4.613 632 HB3 TYR 15 HB1 TYR 15 13.382 15.120 -3.461 633 HD1 TYR 15 HD1 TYR 15 15.805 12.455 -4.128 634 HD2 TYR 15 HD2 TYR 15 12.978 13.991 -1.346 635 HE1 TYR 15 HE1 TYR 15 16.743 11.002 -2.378 636 HE2 TYR 15 HE2 TYR 15 13.907 12.547 0.404 637 HH TYR 15 HH TYR 15 16.853 10.950 0.105 638 H LEU 16 HN LEU 16 13.957 13.469 -6.826 639 HA LEU 16 HA LEU 16 14.195 10.568 -6.683 640 HB2 LEU 16 HB2 LEU 16 12.853 12.101 -8.687 641 HB3 LEU 16 HB1 LEU 16 14.249 11.310 -9.396 642 HG LEU 16 HG LEU 16 12.360 9.742 -7.705 643 HD11 LEU 16 HD11 LEU 16 12.017 10.303 -10.663 644 HD12 LEU 16 HD12 LEU 16 10.971 10.918 -9.384 645 HD13 LEU 16 HD13 LEU 16 11.042 9.188 -9.703 646 HD21 LEU 16 HD21 LEU 16 14.477 8.737 -8.362 647 HD22 LEU 16 HD22 LEU 16 14.104 9.046 -10.059 648 HD23 LEU 16 HD23 LEU 16 13.120 7.913 -9.132 649 H SER 17 HN SER 17 16.169 10.145 -6.323 650 HA SER 17 HA SER 17 18.302 11.924 -7.022 651 HB2 SER 17 HB2 SER 17 18.348 9.111 -5.921 652 HB3 SER 17 HB1 SER 17 19.759 10.165 -6.056 653 HG SER 17 HG SER 17 18.242 10.033 -4.014 654 H LEU 18 HN LEU 18 16.643 9.440 -8.576 655 HA LEU 18 HA LEU 18 18.737 8.867 -10.502 656 HB2 LEU 18 HB2 LEU 18 15.858 7.956 -10.256 657 HB3 LEU 18 HB1 LEU 18 16.882 7.512 -11.602 658 HG LEU 18 HG LEU 18 18.406 6.347 -9.988 659 HD11 LEU 18 HD11 LEU 18 17.825 7.558 -7.955 660 HD12 LEU 18 HD12 LEU 18 17.577 5.824 -7.752 661 HD13 LEU 18 HD13 LEU 18 16.195 6.888 -8.011 662 HD21 LEU 18 HD21 LEU 18 15.538 5.421 -9.985 663 HD22 LEU 18 HD22 LEU 18 16.955 4.417 -9.674 664 HD23 LEU 18 HD23 LEU 18 16.715 5.135 -11.266 665 H ALA 19 HN ALA 19 17.933 11.539 -10.194 666 HA ALA 19 HA ALA 19 15.991 12.569 -11.849 667 HB1 ALA 19 HB1 ALA 19 17.207 13.868 -10.176 668 HB2 ALA 19 HB2 ALA 19 17.233 14.662 -11.752 669 HB3 ALA 19 HB3 ALA 19 18.658 13.797 -11.174 670 H LEU 20 HN LEU 20 15.755 12.906 -13.926 671 HA LEU 20 HA LEU 20 17.533 11.753 -15.813 672 HB2 LEU 20 HB2 LEU 20 15.929 12.858 -17.480 673 HB3 LEU 20 HB1 LEU 20 15.292 11.618 -16.425 674 HG LEU 20 HG LEU 20 14.471 13.563 -14.942 675 HD11 LEU 20 HD11 LEU 20 14.026 15.659 -16.100 676 HD12 LEU 20 HD12 LEU 20 14.922 15.080 -17.504 677 HD13 LEU 20 HD13 LEU 20 15.758 15.348 -15.975 678 HD21 LEU 20 HD21 LEU 20 13.004 12.121 -16.242 679 HD22 LEU 20 HD22 LEU 20 13.260 13.132 -17.666 680 HD23 LEU 20 HD23 LEU 20 12.434 13.789 -16.253 681 HA PRO 21 HA PRO 21 20.298 15.045 -16.758 682 HB2 PRO 21 HB2 PRO 21 20.526 14.763 -19.484 683 HB3 PRO 21 HB1 PRO 21 21.364 13.750 -18.307 684 HG2 PRO 21 HG2 PRO 21 18.851 13.204 -19.827 685 HG3 PRO 21 HG1 PRO 21 20.198 12.112 -19.459 686 HD2 PRO 21 HD2 PRO 21 17.895 12.024 -18.088 687 HD3 PRO 21 HD1 PRO 21 19.459 11.724 -17.304 688 H ARG 22 HN ARG 22 20.565 17.020 -17.987 689 HA ARG 22 HA ARG 22 18.265 18.613 -17.982 690 HB2 ARG 22 HB2 ARG 22 21.040 19.029 -19.043 691 HB3 ARG 22 HB1 ARG 22 19.799 20.259 -19.231 692 HG2 ARG 22 HG2 ARG 22 19.625 20.591 -16.916 693 HG3 ARG 22 HG1 ARG 22 20.492 19.098 -16.555 694 HD2 ARG 22 HD2 ARG 22 21.742 21.410 -18.011 695 HD3 ARG 22 HD1 ARG 22 21.791 21.247 -16.256 696 HE ARG 22 HE ARG 22 22.716 18.856 -17.216 697 HH11 ARG 22 HH11 ARG 22 23.660 22.200 -17.671 698 HH12 ARG 22 HH12 ARG 22 25.342 21.839 -17.822 699 HH21 ARG 22 HH21 ARG 22 24.948 18.368 -17.419 700 HH22 ARG 22 HH22 ARG 22 26.080 19.647 -17.689 701 H ALA 23 HN ALA 23 19.802 16.837 -20.564 702 HA ALA 23 HA ALA 23 18.414 18.109 -22.696 703 HB1 ALA 23 HB1 ALA 23 19.670 15.370 -22.612 704 HB2 ALA 23 HB2 ALA 23 20.494 16.869 -23.043 705 HB3 ALA 23 HB3 ALA 23 19.195 16.251 -24.063 706 H HIS 24 HN HIS 24 17.389 15.962 -20.295 707 HA HIS 24 HA HIS 24 15.208 14.919 -21.921 708 HB2 HIS 24 HB2 HIS 24 16.336 14.180 -19.243 709 HB3 HIS 24 HB1 HIS 24 14.743 13.632 -19.736 710 HD1 HIS 24 HD1 HIS 24 15.550 11.157 -19.748 711 HD2 HIS 24 HD2 HIS 24 17.589 13.626 -22.402 712 HE1 HIS 24 HE1 HIS 24 16.839 9.615 -21.240 713 H VAL 25 HN VAL 25 15.875 17.479 -19.849 714 HA VAL 25 HA VAL 25 13.062 17.705 -19.068 715 HB VAL 25 HB VAL 25 14.902 17.792 -17.277 716 HG11 VAL 25 HG11 VAL 25 15.254 20.604 -18.293 717 HG12 VAL 25 HG12 VAL 25 16.413 19.298 -18.531 718 HG13 VAL 25 HG13 VAL 25 16.047 19.868 -16.901 719 HG21 VAL 25 HG21 VAL 25 12.612 18.441 -16.824 720 HG22 VAL 25 HG22 VAL 25 12.925 20.059 -17.453 721 HG23 VAL 25 HG23 VAL 25 13.732 19.513 -15.983 722 H LYS 26 HN LYS 26 11.962 19.683 -19.388 723 HA LYS 26 HA LYS 26 13.071 21.251 -21.607 724 HB2 LYS 26 HB2 LYS 26 10.899 20.057 -21.974 725 HB3 LYS 26 HB1 LYS 26 10.190 21.035 -20.700 726 HG2 LYS 26 HG2 LYS 26 10.450 23.033 -21.988 727 HG3 LYS 26 HG1 LYS 26 11.406 22.183 -23.204 728 HD2 LYS 26 HD2 LYS 26 9.224 22.420 -24.109 729 HD3 LYS 26 HD1 LYS 26 9.388 20.735 -23.624 730 HE2 LYS 26 HE2 LYS 26 7.240 21.399 -22.908 731 HE3 LYS 26 HE1 LYS 26 8.241 21.389 -21.459 732 HZ1 LYS 26 HZ1 LYS 26 6.781 23.357 -21.664 733 HZ2 LYS 26 HZ2 LYS 26 7.631 23.827 -23.041 734 HZ3 LYS 26 HZ3 LYS 26 8.412 23.772 -21.545 735 H GLU 27 HN GLU 27 11.561 21.432 -18.422 736 HA GLU 27 HA GLU 27 12.820 23.894 -17.787 737 HB2 GLU 27 HB2 GLU 27 10.797 25.280 -17.582 738 HB3 GLU 27 HB1 GLU 27 11.107 24.811 -19.247 739 HG2 GLU 27 HG2 GLU 27 9.435 23.017 -19.010 740 HG3 GLU 27 HG1 GLU 27 9.072 23.624 -17.392 741 H TYR 28 HN TYR 28 11.574 24.837 -15.725 742 HA TYR 28 HA TYR 28 10.623 22.642 -14.034 743 HB2 TYR 28 HB2 TYR 28 12.084 23.222 -12.233 744 HB3 TYR 28 HB1 TYR 28 13.103 23.093 -13.661 745 HD1 TYR 28 HD1 TYR 28 12.136 25.145 -10.920 746 HD2 TYR 28 HD2 TYR 28 13.683 25.302 -14.879 747 HE1 TYR 28 HE1 TYR 28 12.975 27.416 -10.496 748 HE2 TYR 28 HE2 TYR 28 14.530 27.571 -14.464 749 HH TYR 28 HH TYR 28 14.750 28.919 -11.386 750 H PHE 29 HN PHE 29 9.672 23.581 -11.959 751 HA PHE 29 HA PHE 29 8.819 26.322 -12.009 752 HB2 PHE 29 HB2 PHE 29 7.291 25.203 -13.677 753 HB3 PHE 29 HB1 PHE 29 6.718 24.163 -12.381 754 HD1 PHE 29 HD1 PHE 29 7.205 27.811 -13.025 755 HD2 PHE 29 HD2 PHE 29 4.726 24.751 -11.416 756 HE1 PHE 29 HE1 PHE 29 5.504 29.493 -12.458 757 HE2 PHE 29 HE2 PHE 29 3.021 26.429 -10.844 758 HZ PHE 29 HZ PHE 29 3.407 28.802 -11.364 759 H TYR 30 HN TYR 30 7.790 26.901 -10.013 760 HA TYR 30 HA TYR 30 8.463 25.075 -7.856 761 HB2 TYR 30 HB2 TYR 30 7.647 27.965 -7.952 762 HB3 TYR 30 HB1 TYR 30 7.651 27.077 -6.434 763 HD1 TYR 30 HD1 TYR 30 9.815 28.201 -9.231 764 HD2 TYR 30 HD2 TYR 30 9.658 26.694 -5.263 765 HE1 TYR 30 HE1 TYR 30 12.213 28.672 -8.965 766 HE2 TYR 30 HE2 TYR 30 12.058 27.157 -4.982 767 HH TYR 30 HH TYR 30 14.052 27.483 -6.335 768 H THR 31 HN THR 31 7.003 24.509 -6.162 769 HA THR 31 HA THR 31 4.508 23.579 -7.066 770 HB THR 31 HB THR 31 4.146 23.197 -4.533 771 HG1 THR 31 HG1 THR 31 5.597 24.531 -3.592 772 HG21 THR 31 HG21 THR 31 5.594 21.265 -4.569 773 HG22 THR 31 HG22 THR 31 6.550 21.966 -5.875 774 HG23 THR 31 HG23 THR 31 4.877 21.486 -6.165 775 H SER 32 HN SER 32 2.432 24.002 -5.864 776 HA SER 32 HA SER 32 1.636 26.674 -6.187 777 HB2 SER 32 HB2 SER 32 0.281 24.477 -4.612 778 HB3 SER 32 HB1 SER 32 -0.484 25.950 -5.208 779 HG SER 32 HG SER 32 0.260 23.641 -6.554 780 H SER 33 HN SER 33 0.719 28.100 -4.507 781 HA SER 33 HA SER 33 2.554 28.486 -2.387 782 HB2 SER 33 HB2 SER 33 0.893 30.261 -1.690 783 HB3 SER 33 HB1 SER 33 1.534 30.411 -3.327 784 HG SER 33 HG SER 33 -0.859 30.590 -2.915 785 H LYS 34 HN LYS 34 -0.442 26.793 -2.669 786 HA LYS 34 HA LYS 34 -1.130 26.662 0.079 787 HB2 LYS 34 HB2 LYS 34 -1.813 24.844 -2.228 788 HB3 LYS 34 HB1 LYS 34 -2.499 24.675 -0.622 789 HG2 LYS 34 HG2 LYS 34 -2.783 27.126 -2.352 790 HG3 LYS 34 HG1 LYS 34 -3.985 25.841 -2.218 791 HD2 LYS 34 HD2 LYS 34 -4.103 26.282 0.226 792 HD3 LYS 34 HD1 LYS 34 -3.005 27.645 -0.004 793 HE2 LYS 34 HE2 LYS 34 -4.626 28.689 -1.516 794 HE3 LYS 34 HE1 LYS 34 -5.720 27.327 -1.281 795 HZ1 LYS 34 HZ1 LYS 34 -6.327 29.203 0.113 796 HZ2 LYS 34 HZ2 LYS 34 -4.802 29.195 0.834 797 HZ3 LYS 34 HZ3 LYS 34 -5.847 27.896 1.075 798 H CYS 35 HN CYS 35 1.321 25.165 -1.749 799 HA CYS 35 HA CYS 35 1.559 22.802 -0.147 800 HB2 CYS 35 HB2 CYS 35 3.636 24.036 -1.961 801 HB3 CYS 35 HB1 CYS 35 3.562 22.368 -1.408 802 H SER 36 HN SER 36 2.358 22.761 1.821 803 HA SER 36 HA SER 36 3.537 25.026 3.040 804 HB2 SER 36 HB2 SER 36 3.938 23.319 4.925 805 HB3 SER 36 HB1 SER 36 2.271 23.660 4.462 806 HG SER 36 HG SER 36 2.580 21.447 4.623 807 H ASN 37 HN ASN 37 4.803 21.992 1.791 808 HA ASN 37 HA ASN 37 7.510 22.668 2.598 809 HB2 ASN 37 HB2 ASN 37 8.133 20.497 1.666 810 HB3 ASN 37 HB1 ASN 37 6.753 20.319 2.744 811 HD21 ASN 37 HD21 ASN 37 7.872 20.164 -0.544 812 HD22 ASN 37 HD22 ASN 37 6.449 19.431 -1.209 813 H LEU 38 HN LEU 38 9.245 22.696 1.025 814 HA LEU 38 HA LEU 38 8.384 24.054 -1.399 815 HB2 LEU 38 HB2 LEU 38 10.082 25.141 0.003 816 HB3 LEU 38 HB1 LEU 38 11.136 23.755 -0.194 817 HG LEU 38 HG LEU 38 11.279 24.224 -2.614 818 HD11 LEU 38 HD11 LEU 38 10.470 26.392 -3.451 819 HD12 LEU 38 HD12 LEU 38 9.620 26.640 -1.926 820 HD13 LEU 38 HD13 LEU 38 9.166 25.303 -2.985 821 HD21 LEU 38 HD21 LEU 38 11.983 26.575 -0.861 822 HD22 LEU 38 HD22 LEU 38 12.678 26.215 -2.441 823 HD23 LEU 38 HD23 LEU 38 12.962 25.126 -1.083 824 H ALA 39 HN ALA 39 8.475 23.139 -3.316 825 HA ALA 39 HA ALA 39 10.345 21.022 -3.887 826 HB1 ALA 39 HB1 ALA 39 7.366 20.578 -4.090 827 HB2 ALA 39 HB2 ALA 39 8.459 19.777 -2.962 828 HB3 ALA 39 HB3 ALA 39 8.609 19.484 -4.695 829 H VAL 40 HN VAL 40 10.337 20.531 -6.207 830 HA VAL 40 HA VAL 40 9.118 22.693 -7.751 831 HB VAL 40 HB VAL 40 11.081 22.778 -9.229 832 HG11 VAL 40 HG11 VAL 40 10.856 24.352 -7.370 833 HG12 VAL 40 HG12 VAL 40 12.542 24.003 -7.747 834 HG13 VAL 40 HG13 VAL 40 11.779 23.251 -6.343 835 HG21 VAL 40 HG21 VAL 40 13.182 21.746 -8.552 836 HG22 VAL 40 HG22 VAL 40 11.935 20.536 -8.852 837 HG23 VAL 40 HG23 VAL 40 12.368 20.965 -7.195 838 H VAL 41 HN VAL 41 8.642 22.223 -9.875 839 HA VAL 41 HA VAL 41 8.263 19.360 -10.393 840 HB VAL 41 HB VAL 41 6.621 21.658 -11.472 841 HG11 VAL 41 HG11 VAL 41 6.162 18.682 -11.497 842 HG12 VAL 41 HG12 VAL 41 6.580 19.693 -12.881 843 HG13 VAL 41 HG13 VAL 41 5.025 19.899 -12.073 844 HG21 VAL 41 HG21 VAL 41 5.978 19.805 -9.177 845 HG22 VAL 41 HG22 VAL 41 4.876 20.986 -9.886 846 HG23 VAL 41 HG23 VAL 41 6.335 21.528 -9.056 847 H PHE 42 HN PHE 42 9.382 18.603 -12.050 848 HA PHE 42 HA PHE 42 10.505 20.516 -13.954 849 HB2 PHE 42 HB2 PHE 42 11.243 17.665 -13.315 850 HB3 PHE 42 HB1 PHE 42 11.936 18.566 -14.657 851 HD1 PHE 42 HD1 PHE 42 11.969 17.992 -11.107 852 HD2 PHE 42 HD2 PHE 42 13.290 20.584 -14.204 853 HE1 PHE 42 HE1 PHE 42 13.644 18.955 -9.585 854 HE2 PHE 42 HE2 PHE 42 14.969 21.549 -12.700 855 HZ PHE 42 HZ PHE 42 15.157 20.735 -10.386 856 H VAL 43 HN VAL 43 9.919 20.578 -15.975 857 HA VAL 43 HA VAL 43 7.881 18.672 -16.857 858 HB VAL 43 HB VAL 43 8.646 21.340 -18.071 859 HG11 VAL 43 HG11 VAL 43 7.665 19.769 -19.661 860 HG12 VAL 43 HG12 VAL 43 6.584 21.124 -19.340 861 HG13 VAL 43 HG13 VAL 43 6.275 19.553 -18.592 862 HG21 VAL 43 HG21 VAL 43 6.305 20.648 -16.296 863 HG22 VAL 43 HG22 VAL 43 6.561 22.197 -17.101 864 HG23 VAL 43 HG23 VAL 43 7.683 21.654 -15.853 865 H THR 44 HN THR 44 8.690 17.062 -17.985 866 HA THR 44 HA THR 44 11.306 17.066 -19.061 867 HB THR 44 HB THR 44 10.722 14.885 -20.025 868 HG1 THR 44 HG1 THR 44 8.154 15.177 -18.904 869 HG21 THR 44 HG21 THR 44 11.323 15.029 -17.638 870 HG22 THR 44 HG22 THR 44 10.161 13.736 -17.945 871 HG23 THR 44 HG23 THR 44 9.619 15.259 -17.240 872 H ARG 45 HN ARG 45 11.652 16.297 -21.378 873 HA ARG 45 HA ARG 45 10.752 18.305 -23.161 874 HB2 ARG 45 HB2 ARG 45 12.271 15.740 -23.596 875 HB3 ARG 45 HB1 ARG 45 11.927 16.879 -24.888 876 HG2 ARG 45 HG2 ARG 45 13.445 17.594 -22.387 877 HG3 ARG 45 HG1 ARG 45 14.208 17.078 -23.893 878 HD2 ARG 45 HD2 ARG 45 12.459 19.506 -23.495 879 HD3 ARG 45 HD1 ARG 45 14.202 19.495 -23.764 880 HE ARG 45 HE ARG 45 13.130 18.155 -25.895 881 HH11 ARG 45 HH11 ARG 45 12.859 21.387 -24.562 882 HH12 ARG 45 HH12 ARG 45 12.467 22.111 -26.081 883 HH21 ARG 45 HH21 ARG 45 12.610 19.123 -27.913 884 HH22 ARG 45 HH22 ARG 45 12.327 20.827 -27.982 885 H ARG 46 HN ARG 46 9.172 15.624 -22.054 886 HA ARG 46 HA ARG 46 7.600 15.363 -24.523 887 HB2 ARG 46 HB2 ARG 46 7.877 13.490 -22.163 888 HB3 ARG 46 HB1 ARG 46 6.677 13.276 -23.427 889 HG2 ARG 46 HG2 ARG 46 8.394 11.843 -24.036 890 HG3 ARG 46 HG1 ARG 46 8.670 13.264 -25.040 891 HD2 ARG 46 HD2 ARG 46 10.345 14.046 -23.394 892 HD3 ARG 46 HD1 ARG 46 10.104 12.555 -22.483 893 HE ARG 46 HE ARG 46 10.832 12.266 -25.273 894 HH11 ARG 46 HH11 ARG 46 11.917 12.253 -21.935 895 HH12 ARG 46 HH12 ARG 46 13.388 11.424 -22.289 896 HH21 ARG 46 HH21 ARG 46 12.768 11.184 -25.736 897 HH22 ARG 46 HH22 ARG 46 13.896 10.830 -24.472 898 H ASN 47 HN ASN 47 7.592 17.333 -22.133 899 HA ASN 47 HA ASN 47 6.097 18.585 -20.987 900 HB2 ASN 47 HB2 ASN 47 4.234 17.336 -22.995 901 HB3 ASN 47 HB1 ASN 47 3.626 18.409 -21.739 902 HD21 ASN 47 HD21 ASN 47 5.508 18.173 -24.646 903 HD22 ASN 47 HD22 ASN 47 5.651 19.875 -24.925 904 H ARG 48 HN ARG 48 6.718 15.761 -20.308 905 HA ARG 48 HA ARG 48 4.466 14.985 -18.624 906 HB2 ARG 48 HB2 ARG 48 5.662 13.281 -19.926 907 HB3 ARG 48 HB1 ARG 48 7.170 13.739 -19.164 908 HG2 ARG 48 HG2 ARG 48 6.225 12.981 -16.994 909 HG3 ARG 48 HG1 ARG 48 4.815 12.382 -17.884 910 HD2 ARG 48 HD2 ARG 48 6.306 11.018 -19.281 911 HD3 ARG 48 HD1 ARG 48 7.678 11.583 -18.337 912 HE ARG 48 HE ARG 48 5.578 10.262 -16.845 913 HH11 ARG 48 HH11 ARG 48 8.662 10.008 -18.494 914 HH12 ARG 48 HH12 ARG 48 9.102 8.515 -17.739 915 HH21 ARG 48 HH21 ARG 48 6.142 8.263 -15.855 916 HH22 ARG 48 HH22 ARG 48 7.644 7.499 -16.254 917 H GLN 49 HN GLN 49 4.467 15.411 -16.458 918 HA GLN 49 HA GLN 49 6.687 17.068 -15.531 919 HB2 GLN 49 HB2 GLN 49 3.970 16.739 -14.290 920 HB3 GLN 49 HB1 GLN 49 5.190 17.936 -13.878 921 HG2 GLN 49 HG2 GLN 49 4.972 18.884 -16.146 922 HG3 GLN 49 HG1 GLN 49 3.673 17.736 -16.467 923 HE21 GLN 49 HE21 GLN 49 4.215 19.267 -13.396 924 HE22 GLN 49 HE22 GLN 49 2.790 20.250 -13.412 925 H VAL 50 HN VAL 50 7.692 16.820 -13.604 926 HA VAL 50 HA VAL 50 7.172 14.435 -11.984 927 HB VAL 50 HB VAL 50 9.024 13.983 -13.655 928 HG11 VAL 50 HG11 VAL 50 9.938 16.197 -13.778 929 HG12 VAL 50 HG12 VAL 50 11.185 15.025 -13.339 930 HG13 VAL 50 HG13 VAL 50 10.488 16.083 -12.107 931 HG21 VAL 50 HG21 VAL 50 9.825 13.977 -10.749 932 HG22 VAL 50 HG22 VAL 50 10.594 13.030 -12.023 933 HG23 VAL 50 HG23 VAL 50 8.914 12.718 -11.582 934 H CYS 51 HN CYS 51 8.047 14.713 -9.774 935 HA CYS 51 HA CYS 51 8.590 17.544 -9.154 936 HB2 CYS 51 HB2 CYS 51 6.913 15.560 -7.642 937 HB3 CYS 51 HB1 CYS 51 7.472 17.074 -6.945 938 H ALA 52 HN ALA 52 10.003 18.014 -7.471 939 HA ALA 52 HA ALA 52 11.287 15.868 -6.038 940 HB1 ALA 52 HB1 ALA 52 12.912 17.587 -7.908 941 HB2 ALA 52 HB2 ALA 52 12.528 15.882 -8.161 942 HB3 ALA 52 HB3 ALA 52 13.539 16.368 -6.798 943 H ASN 53 HN ASN 53 12.604 16.599 -4.328 944 HA ASN 53 HA ASN 53 11.857 19.231 -3.368 945 HB2 ASN 53 HB2 ASN 53 13.326 16.939 -2.032 946 HB3 ASN 53 HB1 ASN 53 13.031 18.490 -1.259 947 HD21 ASN 53 HD21 ASN 53 10.374 18.830 -2.389 948 HD22 ASN 53 HD22 ASN 53 9.349 17.714 -1.561 949 HA PRO 54 HA PRO 54 15.567 21.151 -4.704 950 HB2 PRO 54 HB2 PRO 54 15.622 23.263 -3.045 951 HB3 PRO 54 HB1 PRO 54 14.406 23.100 -4.322 952 HG2 PRO 54 HG2 PRO 54 14.191 22.399 -1.415 953 HG3 PRO 54 HG1 PRO 54 13.073 23.360 -2.408 954 HD2 PRO 54 HD2 PRO 54 12.607 20.784 -1.885 955 HD3 PRO 54 HD1 PRO 54 12.231 21.486 -3.474 956 H GLU 55 HN GLU 55 15.448 19.453 -1.870 957 HA GLU 55 HA GLU 55 17.772 20.460 -0.581 958 HB2 GLU 55 HB2 GLU 55 16.333 17.828 -0.300 959 HB3 GLU 55 HB1 GLU 55 17.687 18.315 0.708 960 HG2 GLU 55 HG2 GLU 55 16.362 20.287 1.425 961 HG3 GLU 55 HG1 GLU 55 14.996 19.634 0.522 962 H LYS 56 HN LYS 56 17.253 18.477 -3.266 963 HA LYS 56 HA LYS 56 19.865 17.198 -3.126 964 HB2 LYS 56 HB2 LYS 56 17.766 17.154 -5.306 965 HB3 LYS 56 HB1 LYS 56 19.235 16.192 -5.299 966 HG2 LYS 56 HG2 LYS 56 17.056 16.002 -3.230 967 HG3 LYS 56 HG1 LYS 56 17.205 14.940 -4.631 968 HD2 LYS 56 HD2 LYS 56 19.346 15.272 -2.526 969 HD3 LYS 56 HD1 LYS 56 18.125 14.002 -2.495 970 HE2 LYS 56 HE2 LYS 56 18.935 13.187 -4.671 971 HE3 LYS 56 HE1 LYS 56 20.168 14.446 -4.676 972 HZ1 LYS 56 HZ1 LYS 56 19.939 12.307 -2.627 973 HZ2 LYS 56 HZ2 LYS 56 21.161 13.468 -2.724 974 HZ3 LYS 56 HZ3 LYS 56 21.023 12.289 -3.924 975 H LYS 57 HN LYS 57 21.643 17.922 -4.155 976 HA LYS 57 HA LYS 57 21.652 20.604 -5.053 977 HB2 LYS 57 HB2 LYS 57 23.606 19.453 -3.987 978 HB3 LYS 57 HB1 LYS 57 23.853 18.589 -5.500 979 HG2 LYS 57 HG2 LYS 57 24.285 20.633 -6.672 980 HG3 LYS 57 HG1 LYS 57 23.856 21.588 -5.254 981 HD2 LYS 57 HD2 LYS 57 25.757 20.538 -4.047 982 HD3 LYS 57 HD1 LYS 57 26.215 19.735 -5.551 983 HE2 LYS 57 HE2 LYS 57 27.532 21.747 -5.258 984 HE3 LYS 57 HE1 LYS 57 26.442 21.933 -6.630 985 HZ1 LYS 57 HZ1 LYS 57 26.065 23.065 -3.912 986 HZ2 LYS 57 HZ2 LYS 57 24.923 23.171 -5.145 987 HZ3 LYS 57 HZ3 LYS 57 26.419 23.928 -5.316 988 H TRP 58 HN TRP 58 21.301 17.573 -6.716 989 HA TRP 58 HA TRP 58 21.908 18.350 -9.337 990 HB2 TRP 58 HB2 TRP 58 19.703 16.486 -8.406 991 HB3 TRP 58 HB1 TRP 58 20.325 16.586 -10.047 992 HD1 TRP 58 HD1 TRP 58 21.076 15.112 -6.644 993 HE1 TRP 58 HE1 TRP 58 23.050 13.482 -6.848 994 HE3 TRP 58 HE3 TRP 58 22.510 16.188 -11.427 995 HZ2 TRP 58 HZ2 TRP 58 24.969 12.745 -8.789 996 HZ3 TRP 58 HZ3 TRP 58 24.423 14.975 -12.384 997 HH2 TRP 58 HH2 TRP 58 25.626 13.291 -11.092 998 H VAL 59 HN VAL 59 19.048 18.686 -7.377 999 HA VAL 59 HA VAL 59 17.345 19.737 -9.361 1000 HB VAL 59 HB VAL 59 17.251 20.047 -6.346 1001 HG11 VAL 59 HG11 VAL 59 15.108 20.591 -8.392 1002 HG12 VAL 59 HG12 VAL 59 15.968 21.802 -7.444 1003 HG13 VAL 59 HG13 VAL 59 14.901 20.649 -6.642 1004 HG21 VAL 59 HG21 VAL 59 15.584 18.263 -6.417 1005 HG22 VAL 59 HG22 VAL 59 17.107 17.721 -7.128 1006 HG23 VAL 59 HG23 VAL 59 15.756 18.162 -8.169 1007 H GLN 60 HN GLN 60 19.518 21.167 -7.015 1008 HA GLN 60 HA GLN 60 18.810 23.867 -7.448 1009 HB2 GLN 60 HB2 GLN 60 21.493 22.774 -6.579 1010 HB3 GLN 60 HB1 GLN 60 20.894 24.405 -6.317 1011 HG2 GLN 60 HG2 GLN 60 19.637 21.938 -5.149 1012 HG3 GLN 60 HG1 GLN 60 20.824 22.937 -4.317 1013 HE21 GLN 60 HE21 GLN 60 17.573 22.727 -5.481 1014 HE22 GLN 60 HE22 GLN 60 16.966 24.092 -4.611 1015 H GLU 61 HN GLU 61 21.295 21.775 -8.802 1016 HA GLU 61 HA GLU 61 22.474 23.776 -10.404 1017 HB2 GLU 61 HB2 GLU 61 22.513 20.774 -10.605 1018 HB3 GLU 61 HB1 GLU 61 23.495 21.841 -11.602 1019 HG2 GLU 61 HG2 GLU 61 23.573 21.870 -8.608 1020 HG3 GLU 61 HG1 GLU 61 24.621 20.855 -9.589 1021 H TYR 62 HN TYR 62 19.986 21.357 -10.992 1022 HA TYR 62 HA TYR 62 19.776 21.946 -13.763 1023 HB2 TYR 62 HB2 TYR 62 18.042 20.447 -11.829 1024 HB3 TYR 62 HB1 TYR 62 17.445 20.817 -13.445 1025 HD1 TYR 62 HD1 TYR 62 20.793 19.717 -12.170 1026 HD2 TYR 62 HD2 TYR 62 17.510 18.901 -14.747 1027 HE1 TYR 62 HE1 TYR 62 21.985 17.764 -13.052 1028 HE2 TYR 62 HE2 TYR 62 18.697 16.939 -15.634 1029 HH TYR 62 HH TYR 62 21.353 15.573 -14.159 1030 H ILE 63 HN ILE 63 18.141 23.138 -10.887 1031 HA ILE 63 HA ILE 63 16.259 24.778 -12.197 1032 HB ILE 63 HB ILE 63 17.584 24.935 -9.493 1033 HG12 ILE 63 HG12 ILE 63 14.707 24.460 -10.297 1034 HG13 ILE 63 HG11 ILE 63 15.863 23.204 -9.867 1035 HG21 ILE 63 HG21 ILE 63 17.223 27.224 -10.154 1036 HG22 ILE 63 HG22 ILE 63 16.079 26.774 -8.887 1037 HG23 ILE 63 HG23 ILE 63 15.544 26.873 -10.566 1038 HD11 ILE 63 HD11 ILE 63 16.060 24.232 -7.621 1039 HD12 ILE 63 HD12 ILE 63 14.447 23.634 -7.994 1040 HD13 ILE 63 HD13 ILE 63 14.784 25.364 -8.071 1041 H ASN 64 HN ASN 64 19.505 25.429 -10.989 1042 HA ASN 64 HA ASN 64 19.605 28.124 -11.754 1043 HB2 ASN 64 HB2 ASN 64 21.356 27.912 -10.376 1044 HB3 ASN 64 HB1 ASN 64 21.344 26.166 -10.546 1045 HD21 ASN 64 HD21 ASN 64 22.626 25.213 -12.098 1046 HD22 ASN 64 HD22 ASN 64 23.981 26.030 -12.794 1047 H TYR 65 HN TYR 65 20.394 25.167 -13.452 1048 HA TYR 65 HA TYR 65 21.601 26.538 -15.662 1049 HB2 TYR 65 HB2 TYR 65 20.836 23.682 -15.178 1050 HB3 TYR 65 HB1 TYR 65 21.271 24.218 -16.795 1051 HD1 TYR 65 HD1 TYR 65 22.564 22.479 -14.228 1052 HD2 TYR 65 HD2 TYR 65 23.500 25.957 -16.492 1053 HE1 TYR 65 HE1 TYR 65 24.941 22.191 -13.677 1054 HE2 TYR 65 HE2 TYR 65 25.880 25.677 -15.947 1055 HH TYR 65 HH TYR 65 27.136 22.837 -14.625 1056 H LEU 66 HN LEU 66 18.404 25.184 -15.001 1057 HA LEU 66 HA LEU 66 17.506 25.665 -17.676 1058 HB2 LEU 66 HB2 LEU 66 15.970 25.025 -15.160 1059 HB3 LEU 66 HB1 LEU 66 15.227 25.200 -16.737 1060 HG LEU 66 HG LEU 66 17.296 23.138 -16.005 1061 HD11 LEU 66 HD11 LEU 66 15.178 22.782 -14.850 1062 HD12 LEU 66 HD12 LEU 66 15.441 21.560 -16.091 1063 HD13 LEU 66 HD13 LEU 66 14.316 22.885 -16.385 1064 HD21 LEU 66 HD21 LEU 66 17.359 23.751 -18.369 1065 HD22 LEU 66 HD22 LEU 66 15.620 23.488 -18.493 1066 HD23 LEU 66 HD23 LEU 66 16.696 22.132 -18.157 1067 H GLU 67 HN GLU 67 17.560 27.537 -14.733 1068 HA GLU 67 HA GLU 67 15.651 29.478 -15.594 1069 HB2 GLU 67 HB2 GLU 67 16.283 30.756 -13.680 1070 HB3 GLU 67 HB1 GLU 67 16.304 29.064 -13.203 1071 HG2 GLU 67 HG2 GLU 67 18.705 29.005 -13.367 1072 HG3 GLU 67 HG1 GLU 67 18.732 30.665 -13.955 1073 H MET 68 HN MET 68 19.082 29.064 -16.051 1074 HA MET 68 HA MET 68 19.341 31.755 -17.150 1075 HB2 MET 68 HB2 MET 68 21.726 31.262 -17.363 1076 HB3 MET 68 HB1 MET 68 21.158 30.984 -15.724 1077 HG2 MET 68 HG2 MET 68 21.189 28.607 -16.060 1078 HG3 MET 68 HG1 MET 68 21.542 28.817 -17.775 1079 HE1 MET 68 HE1 MET 68 24.515 30.021 -14.452 1080 HE2 MET 68 HE2 MET 68 22.889 29.421 -14.124 1081 HE3 MET 68 HE3 MET 68 23.111 30.990 -14.897 1082 H SER 69 HN SER 69 18.567 28.688 -18.198 1083 HA SER 69 HA SER 69 18.299 27.710 -20.230 1084 HB2 SER 69 HB2 SER 69 16.922 29.739 -20.593 1085 HB3 SER 69 HB1 SER 69 18.341 30.574 -21.220 1086 HG SER 69 HG SER 69 18.102 29.587 -23.059 Start of MODEL 19 1 H1 MET 1 HT1 MET 1 -0.725 11.176 -18.366 2 HA MET 1 HA MET 1 -0.417 11.811 -16.072 3 HB2 MET 1 HB2 MET 1 -2.489 9.666 -15.564 4 HB3 MET 1 HB1 MET 1 -1.551 10.487 -14.325 5 HG2 MET 1 HG2 MET 1 -2.599 12.606 -14.937 6 HG3 MET 1 HG1 MET 1 -3.538 11.781 -16.180 7 HE1 MET 1 HE1 MET 1 -4.260 9.017 -14.693 8 HE2 MET 1 HE2 MET 1 -5.399 9.955 -15.659 9 HE3 MET 1 HE3 MET 1 -5.841 9.437 -14.032 10 H SER 2 HN SER 2 1.058 10.634 -14.769 11 HA SER 2 HA SER 2 1.651 7.892 -15.422 12 HB2 SER 2 HB2 SER 2 2.858 9.148 -17.194 13 HB3 SER 2 HB1 SER 2 3.707 10.061 -15.948 14 HG SER 2 HG SER 2 4.196 7.568 -16.917 15 HA PRO 3 HA PRO 3 2.328 9.017 -11.054 16 HB2 PRO 3 HB2 PRO 3 1.520 6.649 -10.020 17 HB3 PRO 3 HB1 PRO 3 0.386 7.915 -10.505 18 HG2 PRO 3 HG2 PRO 3 1.188 5.429 -11.958 19 HG3 PRO 3 HG1 PRO 3 -0.413 6.176 -11.811 20 HD2 PRO 3 HD2 PRO 3 1.187 6.433 -14.012 21 HD3 PRO 3 HD1 PRO 3 -0.018 7.641 -13.528 22 H TYR 4 HN TYR 4 4.487 9.096 -10.828 23 HA TYR 4 HA TYR 4 5.855 6.914 -9.728 24 HB2 TYR 4 HB2 TYR 4 5.934 6.135 -12.084 25 HB3 TYR 4 HB1 TYR 4 6.751 7.630 -12.530 26 HD1 TYR 4 HD1 TYR 4 7.093 4.705 -10.249 27 HD2 TYR 4 HD2 TYR 4 9.079 7.696 -12.529 28 HE1 TYR 4 HE1 TYR 4 9.253 3.661 -9.722 29 HE2 TYR 4 HE2 TYR 4 11.246 6.660 -12.009 30 HH TYR 4 HH TYR 4 11.496 3.560 -10.598 31 H GLY 5 HN GLY 5 7.565 7.640 -8.587 32 HA2 GLY 5 HA2 GLY 5 9.228 9.066 -7.872 33 HA3 GLY 5 HA1 GLY 5 8.955 10.048 -9.305 34 H SER 6 HN SER 6 7.814 11.861 -9.139 35 HA SER 6 HA SER 6 5.927 12.352 -7.036 36 HB2 SER 6 HB2 SER 6 8.493 13.982 -7.113 37 HB3 SER 6 HB1 SER 6 7.108 14.289 -6.068 38 HG SER 6 HG SER 6 7.800 11.771 -5.714 39 H ASP 7 HN ASP 7 4.356 13.202 -8.315 40 HA ASP 7 HA ASP 7 5.166 15.369 -10.132 41 HB2 ASP 7 HB2 ASP 7 3.691 14.650 -11.835 42 HB3 ASP 7 HB1 ASP 7 4.538 13.203 -11.307 43 H THR 8 HN THR 8 2.744 16.267 -10.950 44 HA THR 8 HA THR 8 2.016 18.004 -8.943 45 HB THR 8 HB THR 8 -0.170 18.198 -10.379 46 HG1 THR 8 HG1 THR 8 0.059 16.282 -11.539 47 HG21 THR 8 HG21 THR 8 1.065 19.573 -12.007 48 HG22 THR 8 HG22 THR 8 2.577 18.852 -11.453 49 HG23 THR 8 HG23 THR 8 1.620 19.848 -10.356 50 H THR 9 HN THR 9 0.963 17.767 -7.141 51 HA THR 9 HA THR 9 -0.776 15.455 -6.777 52 HB THR 9 HB THR 9 0.301 17.411 -4.735 53 HG1 THR 9 HG1 THR 9 1.704 15.739 -6.037 54 HG21 THR 9 HG21 THR 9 -0.963 14.686 -4.383 55 HG22 THR 9 HG22 THR 9 -1.760 16.225 -4.060 56 HG23 THR 9 HG23 THR 9 -0.366 15.736 -3.096 57 HA PRO 10 HA PRO 10 -4.151 18.346 -7.196 58 HB2 PRO 10 HB2 PRO 10 -5.898 16.055 -6.831 59 HB3 PRO 10 HB1 PRO 10 -5.620 17.019 -8.283 60 HG2 PRO 10 HG2 PRO 10 -4.816 14.418 -8.003 61 HG3 PRO 10 HG1 PRO 10 -4.062 15.584 -9.102 62 HD2 PRO 10 HD2 PRO 10 -3.159 14.630 -6.428 63 HD3 PRO 10 HD1 PRO 10 -2.212 15.042 -7.875 64 H CYS 11 HN CYS 11 -4.294 19.488 -5.354 65 HA CYS 11 HA CYS 11 -5.500 18.156 -3.034 66 HB2 CYS 11 HB2 CYS 11 -2.977 18.514 -2.813 67 HB3 CYS 11 HB1 CYS 11 -3.324 20.238 -2.793 68 H CYS 12 HN CYS 12 -6.177 20.005 -1.411 69 HA CYS 12 HA CYS 12 -6.816 22.538 -2.448 70 HB2 CYS 12 HB2 CYS 12 -9.310 22.189 -2.606 71 HB3 CYS 12 HB1 CYS 12 -8.363 21.472 -3.904 72 H PHE 13 HN PHE 13 -7.945 23.845 -0.999 73 HA PHE 13 HA PHE 13 -8.944 22.773 1.496 74 HB2 PHE 13 HB2 PHE 13 -6.565 23.039 2.024 75 HB3 PHE 13 HB1 PHE 13 -6.587 24.693 1.427 76 HD1 PHE 13 HD1 PHE 13 -7.976 22.468 4.047 77 HD2 PHE 13 HD2 PHE 13 -7.100 26.463 2.882 78 HE1 PHE 13 HE1 PHE 13 -8.512 23.243 6.317 79 HE2 PHE 13 HE2 PHE 13 -7.639 27.246 5.149 80 HZ PHE 13 HZ PHE 13 -8.346 25.635 6.870 81 H ALA 14 HN ALA 14 -10.863 23.575 0.516 82 HA ALA 14 HA ALA 14 -11.576 26.178 1.311 83 HB1 ALA 14 HB1 ALA 14 -12.056 27.131 -0.912 84 HB2 ALA 14 HB2 ALA 14 -11.283 25.740 -1.672 85 HB3 ALA 14 HB3 ALA 14 -10.328 26.853 -0.693 86 H TYR 15 HN TYR 15 -13.856 26.629 0.385 87 HA TYR 15 HA TYR 15 -15.290 24.315 -0.517 88 HB2 TYR 15 HB2 TYR 15 -16.755 24.096 1.422 89 HB3 TYR 15 HB1 TYR 15 -15.085 23.836 1.907 90 HD1 TYR 15 HD1 TYR 15 -18.043 25.883 2.326 91 HD2 TYR 15 HD2 TYR 15 -13.886 25.611 3.191 92 HE1 TYR 15 HE1 TYR 15 -18.297 27.595 4.067 93 HE2 TYR 15 HE2 TYR 15 -14.133 27.323 4.937 94 HH TYR 15 HH TYR 15 -15.812 29.272 5.363 95 H LEU 16 HN LEU 16 -17.412 24.813 -1.136 96 HA LEU 16 HA LEU 16 -17.943 27.692 -1.243 97 HB2 LEU 16 HB2 LEU 16 -17.807 25.827 -3.309 98 HB3 LEU 16 HB1 LEU 16 -19.522 26.086 -3.062 99 HG LEU 16 HG LEU 16 -17.566 28.333 -3.484 100 HD11 LEU 16 HD11 LEU 16 -18.333 28.412 -5.801 101 HD12 LEU 16 HD12 LEU 16 -19.348 26.995 -5.523 102 HD13 LEU 16 HD13 LEU 16 -17.591 26.851 -5.451 103 HD21 LEU 16 HD21 LEU 16 -20.574 28.209 -3.673 104 HD22 LEU 16 HD22 LEU 16 -19.573 29.624 -4.003 105 HD23 LEU 16 HD23 LEU 16 -19.643 28.954 -2.373 106 H SER 17 HN SER 17 -19.438 28.356 0.016 107 HA SER 17 HA SER 17 -21.031 26.686 1.609 108 HB2 SER 17 HB2 SER 17 -21.349 29.620 0.974 109 HB3 SER 17 HB1 SER 17 -22.170 28.777 2.292 110 HG SER 17 HG SER 17 -19.357 29.097 1.961 111 H LEU 18 HN LEU 18 -21.626 28.171 -1.486 112 HA LEU 18 HA LEU 18 -24.407 27.307 -1.433 113 HB2 LEU 18 HB2 LEU 18 -22.851 28.975 -3.416 114 HB3 LEU 18 HB1 LEU 18 -24.482 28.420 -3.721 115 HG LEU 18 HG LEU 18 -25.186 29.685 -1.636 116 HD11 LEU 18 HD11 LEU 18 -23.730 31.483 -0.865 117 HD12 LEU 18 HD12 LEU 18 -22.443 30.899 -1.920 118 HD13 LEU 18 HD13 LEU 18 -23.006 29.900 -0.581 119 HD21 LEU 18 HD21 LEU 18 -25.244 31.837 -2.774 120 HD22 LEU 18 HD22 LEU 18 -25.597 30.521 -3.895 121 HD23 LEU 18 HD23 LEU 18 -24.008 31.284 -3.902 122 H ALA 19 HN ALA 19 -23.247 25.129 -1.240 123 HA ALA 19 HA ALA 19 -21.998 23.881 -3.393 124 HB1 ALA 19 HB1 ALA 19 -23.755 22.578 -1.313 125 HB2 ALA 19 HB2 ALA 19 -22.059 22.997 -1.084 126 HB3 ALA 19 HB3 ALA 19 -22.513 21.791 -2.288 127 H LEU 20 HN LEU 20 -22.675 23.004 -5.227 128 HA LEU 20 HA LEU 20 -25.270 23.522 -6.200 129 HB2 LEU 20 HB2 LEU 20 -24.505 22.102 -8.161 130 HB3 LEU 20 HB1 LEU 20 -23.561 23.531 -7.807 131 HG LEU 20 HG LEU 20 -22.005 21.888 -6.518 132 HD11 LEU 20 HD11 LEU 20 -23.407 19.970 -8.369 133 HD12 LEU 20 HD12 LEU 20 -23.462 19.945 -6.607 134 HD13 LEU 20 HD13 LEU 20 -21.942 19.635 -7.445 135 HD21 LEU 20 HD21 LEU 20 -22.163 21.914 -9.526 136 HD22 LEU 20 HD22 LEU 20 -20.748 21.460 -8.576 137 HD23 LEU 20 HD23 LEU 20 -21.360 23.112 -8.511 138 HA PRO 21 HA PRO 21 -27.764 20.195 -4.857 139 HB2 PRO 21 HB2 PRO 21 -29.136 19.620 -7.187 140 HB3 PRO 21 HB1 PRO 21 -29.533 20.930 -6.072 141 HG2 PRO 21 HG2 PRO 21 -27.963 21.016 -8.614 142 HG3 PRO 21 HG1 PRO 21 -29.176 22.158 -8.005 143 HD2 PRO 21 HD2 PRO 21 -26.576 22.702 -7.834 144 HD3 PRO 21 HD1 PRO 21 -27.684 23.136 -6.516 145 H ARG 22 HN ARG 22 -28.109 17.981 -4.934 146 HA ARG 22 HA ARG 22 -25.962 16.359 -5.674 147 HB2 ARG 22 HB2 ARG 22 -28.799 15.742 -4.908 148 HB3 ARG 22 HB1 ARG 22 -27.658 14.465 -5.300 149 HG2 ARG 22 HG2 ARG 22 -26.264 15.039 -3.469 150 HG3 ARG 22 HG1 ARG 22 -27.165 16.529 -3.174 151 HD2 ARG 22 HD2 ARG 22 -28.429 13.806 -3.016 152 HD3 ARG 22 HD1 ARG 22 -27.654 14.574 -1.632 153 HE ARG 22 HE ARG 22 -29.420 16.441 -2.598 154 HH11 ARG 22 HH11 ARG 22 -29.738 13.112 -1.510 155 HH12 ARG 22 HH12 ARG 22 -31.293 13.355 -0.805 156 HH21 ARG 22 HH21 ARG 22 -31.487 16.757 -1.630 157 HH22 ARG 22 HH22 ARG 22 -32.281 15.430 -0.860 158 H ALA 23 HN ALA 23 -28.844 17.214 -7.430 159 HA ALA 23 HA ALA 23 -28.731 15.171 -9.384 160 HB1 ALA 23 HB1 ALA 23 -30.270 16.564 -10.665 161 HB2 ALA 23 HB2 ALA 23 -29.944 17.924 -9.591 162 HB3 ALA 23 HB3 ALA 23 -30.749 16.483 -8.970 163 H HIS 24 HN HIS 24 -26.906 18.060 -8.949 164 HA HIS 24 HA HIS 24 -26.035 18.060 -11.720 165 HB2 HIS 24 HB2 HIS 24 -25.749 19.977 -9.439 166 HB3 HIS 24 HB1 HIS 24 -24.650 20.074 -10.807 167 HD1 HIS 24 HD1 HIS 24 -25.454 22.063 -12.107 168 HD2 HIS 24 HD2 HIS 24 -28.580 19.598 -10.903 169 HE1 HIS 24 HE1 HIS 24 -27.512 23.028 -13.161 170 H VAL 25 HN VAL 25 -25.055 16.901 -8.652 171 HA VAL 25 HA VAL 25 -22.276 16.736 -9.461 172 HB VAL 25 HB VAL 25 -23.059 17.304 -7.064 173 HG11 VAL 25 HG11 VAL 25 -23.435 15.486 -5.554 174 HG12 VAL 25 HG12 VAL 25 -23.189 14.312 -6.839 175 HG13 VAL 25 HG13 VAL 25 -24.606 15.367 -6.872 176 HG21 VAL 25 HG21 VAL 25 -21.085 16.234 -6.084 177 HG22 VAL 25 HG22 VAL 25 -20.734 16.947 -7.659 178 HG23 VAL 25 HG23 VAL 25 -20.945 15.202 -7.507 179 H LYS 26 HN LYS 26 -21.135 14.692 -9.511 180 HA LYS 26 HA LYS 26 -22.903 12.468 -10.279 181 HB2 LYS 26 HB2 LYS 26 -21.510 13.338 -12.123 182 HB3 LYS 26 HB1 LYS 26 -20.071 13.060 -11.163 183 HG2 LYS 26 HG2 LYS 26 -20.281 10.715 -11.324 184 HG3 LYS 26 HG1 LYS 26 -21.936 10.830 -11.927 185 HD2 LYS 26 HD2 LYS 26 -20.498 10.300 -13.777 186 HD3 LYS 26 HD1 LYS 26 -21.049 11.963 -13.962 187 HE2 LYS 26 HE2 LYS 26 -18.773 12.073 -14.479 188 HE3 LYS 26 HE1 LYS 26 -18.841 12.607 -12.804 189 HZ1 LYS 26 HZ1 LYS 26 -18.082 10.452 -12.074 190 HZ2 LYS 26 HZ2 LYS 26 -17.041 10.997 -13.287 191 HZ3 LYS 26 HZ3 LYS 26 -18.202 9.834 -13.643 192 H GLU 27 HN GLU 27 -19.889 13.317 -8.634 193 HA GLU 27 HA GLU 27 -20.247 11.173 -6.757 194 HB2 GLU 27 HB2 GLU 27 -18.150 10.020 -7.290 195 HB3 GLU 27 HB1 GLU 27 -19.260 9.970 -8.656 196 HG2 GLU 27 HG2 GLU 27 -18.050 11.848 -9.674 197 HG3 GLU 27 HG1 GLU 27 -16.904 11.800 -8.333 198 H TYR 28 HN TYR 28 -18.125 11.030 -5.396 199 HA TYR 28 HA TYR 28 -16.842 13.642 -5.138 200 HB2 TYR 28 HB2 TYR 28 -17.141 13.708 -2.771 201 HB3 TYR 28 HB1 TYR 28 -18.726 13.359 -3.448 202 HD1 TYR 28 HD1 TYR 28 -16.140 12.272 -1.208 203 HD2 TYR 28 HD2 TYR 28 -19.555 10.951 -3.371 204 HE1 TYR 28 HE1 TYR 28 -16.296 10.305 0.255 205 HE2 TYR 28 HE2 TYR 28 -19.722 8.979 -1.911 206 HH TYR 28 HH TYR 28 -18.300 7.645 -0.453 207 H PHE 29 HN PHE 29 -14.749 13.514 -4.132 208 HA PHE 29 HA PHE 29 -13.633 10.839 -3.793 209 HB2 PHE 29 HB2 PHE 29 -13.372 11.438 -6.203 210 HB3 PHE 29 HB1 PHE 29 -12.461 12.861 -5.722 211 HD1 PHE 29 HD1 PHE 29 -12.430 9.184 -5.068 212 HD2 PHE 29 HD2 PHE 29 -10.183 12.704 -5.887 213 HE1 PHE 29 HE1 PHE 29 -10.366 7.850 -5.116 214 HE2 PHE 29 HE2 PHE 29 -8.112 11.375 -5.934 215 HZ PHE 29 HZ PHE 29 -8.202 8.945 -5.548 216 H TYR 30 HN TYR 30 -11.966 10.795 -2.330 217 HA TYR 30 HA TYR 30 -11.598 13.139 -0.715 218 HB2 TYR 30 HB2 TYR 30 -10.312 10.402 -0.579 219 HB3 TYR 30 HB1 TYR 30 -10.078 11.672 0.615 220 HD1 TYR 30 HD1 TYR 30 -12.405 9.177 -0.712 221 HD2 TYR 30 HD2 TYR 30 -11.856 12.260 2.166 222 HE1 TYR 30 HE1 TYR 30 -14.386 8.384 0.506 223 HE2 TYR 30 HE2 TYR 30 -13.838 11.475 3.394 224 HH TYR 30 HH TYR 30 -15.850 10.189 3.025 225 H THR 31 HN THR 31 -9.566 14.149 -0.270 226 HA THR 31 HA THR 31 -8.070 14.699 -2.573 227 HB THR 31 HB THR 31 -6.465 15.783 -0.833 228 HG1 THR 31 HG1 THR 31 -7.113 15.806 1.198 229 HG21 THR 31 HG21 THR 31 -7.947 17.703 -0.646 230 HG22 THR 31 HG22 THR 31 -9.327 16.696 -1.090 231 HG23 THR 31 HG23 THR 31 -8.043 16.999 -2.259 232 H SER 32 HN SER 32 -5.708 14.542 -2.719 233 HA SER 32 HA SER 32 -4.908 11.875 -2.794 234 HB2 SER 32 HB2 SER 32 -3.123 14.311 -2.832 235 HB3 SER 32 HB1 SER 32 -2.781 12.728 -3.532 236 HG SER 32 HG SER 32 -4.398 14.789 -4.468 237 H SER 33 HN SER 33 -3.257 10.782 -1.622 238 HA SER 33 HA SER 33 -3.378 11.198 1.173 239 HB2 SER 33 HB2 SER 33 -1.558 9.366 1.118 240 HB3 SER 33 HB1 SER 33 -3.176 8.970 0.533 241 HG SER 33 HG SER 33 -0.960 8.670 -0.774 242 H LYS 34 HN LYS 34 -1.453 12.566 -1.224 243 HA LYS 34 HA LYS 34 0.799 13.138 0.513 244 HB2 LYS 34 HB2 LYS 34 0.152 13.918 -2.328 245 HB3 LYS 34 HB1 LYS 34 1.570 14.509 -1.476 246 HG2 LYS 34 HG2 LYS 34 0.957 11.609 -2.007 247 HG3 LYS 34 HG1 LYS 34 2.050 12.611 -2.965 248 HD2 LYS 34 HD2 LYS 34 3.379 13.016 -0.890 249 HD3 LYS 34 HD1 LYS 34 2.342 11.855 -0.059 250 HE2 LYS 34 HE2 LYS 34 3.019 10.117 -1.632 251 HE3 LYS 34 HE1 LYS 34 4.038 11.276 -2.483 252 HZ1 LYS 34 HZ1 LYS 34 5.322 11.546 -0.425 253 HZ2 LYS 34 HZ2 LYS 34 5.363 9.962 -0.999 254 HZ3 LYS 34 HZ3 LYS 34 4.381 10.353 0.317 255 H CYS 35 HN CYS 35 -2.250 14.319 0.204 256 HA CYS 35 HA CYS 35 -1.689 17.132 0.352 257 HB2 CYS 35 HB2 CYS 35 -4.219 15.551 0.809 258 HB3 CYS 35 HB1 CYS 35 -4.132 17.308 0.862 259 H SER 36 HN SER 36 -1.772 18.446 2.124 260 HA SER 36 HA SER 36 -1.277 17.185 4.674 261 HB2 SER 36 HB2 SER 36 -1.478 20.132 4.038 262 HB3 SER 36 HB1 SER 36 -0.682 19.390 5.425 263 HG SER 36 HG SER 36 0.539 18.262 3.552 264 H ASN 37 HN ASN 37 -3.946 18.251 2.966 265 HA ASN 37 HA ASN 37 -5.541 18.437 5.414 266 HB2 ASN 37 HB2 ASN 37 -5.454 20.680 4.668 267 HB3 ASN 37 HB1 ASN 37 -5.631 20.212 2.981 268 HD21 ASN 37 HD21 ASN 37 -7.645 19.909 2.141 269 HD22 ASN 37 HD22 ASN 37 -9.100 20.211 3.021 270 H LEU 38 HN LEU 38 -7.278 17.174 5.466 271 HA LEU 38 HA LEU 38 -7.848 15.496 3.191 272 HB2 LEU 38 HB2 LEU 38 -7.838 14.715 5.618 273 HB3 LEU 38 HB1 LEU 38 -9.319 15.620 5.833 274 HG LEU 38 HG LEU 38 -9.636 13.156 5.524 275 HD11 LEU 38 HD11 LEU 38 -11.490 13.297 3.950 276 HD12 LEU 38 HD12 LEU 38 -10.931 14.892 3.444 277 HD13 LEU 38 HD13 LEU 38 -11.482 14.632 5.099 278 HD21 LEU 38 HD21 LEU 38 -7.847 12.788 3.893 279 HD22 LEU 38 HD22 LEU 38 -8.763 13.700 2.691 280 HD23 LEU 38 HD23 LEU 38 -9.398 12.179 3.316 281 H ALA 39 HN ALA 39 -9.237 16.036 1.691 282 HA ALA 39 HA ALA 39 -11.593 17.606 2.364 283 HB1 ALA 39 HB1 ALA 39 -9.961 19.279 1.675 284 HB2 ALA 39 HB2 ALA 39 -11.233 19.124 0.462 285 HB3 ALA 39 HB3 ALA 39 -9.655 18.384 0.187 286 H VAL 40 HN VAL 40 -12.984 17.759 0.286 287 HA VAL 40 HA VAL 40 -12.671 15.271 -1.221 288 HB VAL 40 HB VAL 40 -15.166 15.048 -1.264 289 HG11 VAL 40 HG11 VAL 40 -13.853 14.883 1.437 290 HG12 VAL 40 HG12 VAL 40 -13.773 13.662 0.165 291 HG13 VAL 40 HG13 VAL 40 -15.313 14.024 0.944 292 HG21 VAL 40 HG21 VAL 40 -15.734 17.331 -0.628 293 HG22 VAL 40 HG22 VAL 40 -15.024 17.072 0.967 294 HG23 VAL 40 HG23 VAL 40 -16.458 16.165 0.479 295 H VAL 41 HN VAL 41 -13.115 15.319 -3.285 296 HA VAL 41 HA VAL 41 -13.729 17.925 -4.472 297 HB VAL 41 HB VAL 41 -12.385 15.551 -5.775 298 HG11 VAL 41 HG11 VAL 41 -11.758 17.161 -7.504 299 HG12 VAL 41 HG12 VAL 41 -12.658 18.420 -6.657 300 HG13 VAL 41 HG13 VAL 41 -13.509 17.033 -7.339 301 HG21 VAL 41 HG21 VAL 41 -10.285 16.796 -5.556 302 HG22 VAL 41 HG22 VAL 41 -10.978 16.412 -3.979 303 HG23 VAL 41 HG23 VAL 41 -11.124 18.043 -4.634 304 H PHE 42 HN PHE 42 -15.634 18.104 -5.396 305 HA PHE 42 HA PHE 42 -17.183 15.689 -5.889 306 HB2 PHE 42 HB2 PHE 42 -17.949 18.593 -5.692 307 HB3 PHE 42 HB1 PHE 42 -19.084 17.329 -6.141 308 HD1 PHE 42 HD1 PHE 42 -17.253 18.909 -3.454 309 HD2 PHE 42 HD2 PHE 42 -19.686 15.579 -4.498 310 HE1 PHE 42 HE1 PHE 42 -17.647 18.457 -1.077 311 HE2 PHE 42 HE2 PHE 42 -20.092 15.126 -2.117 312 HZ PHE 42 HZ PHE 42 -19.076 16.567 -0.400 313 H VAL 43 HN VAL 43 -17.423 14.928 -7.815 314 HA VAL 43 HA VAL 43 -16.664 16.580 -10.111 315 HB VAL 43 HB VAL 43 -17.085 13.585 -9.941 316 HG11 VAL 43 HG11 VAL 43 -17.501 14.458 -12.167 317 HG12 VAL 43 HG12 VAL 43 -16.014 13.512 -12.134 318 HG13 VAL 43 HG13 VAL 43 -15.937 15.276 -12.157 319 HG21 VAL 43 HG21 VAL 43 -14.520 15.172 -10.001 320 HG22 VAL 43 HG22 VAL 43 -14.636 13.416 -10.104 321 HG23 VAL 43 HG23 VAL 43 -15.147 14.249 -8.636 322 H THR 44 HN THR 44 -18.298 17.476 -11.169 323 HA THR 44 HA THR 44 -20.990 16.611 -10.674 324 HB THR 44 HB THR 44 -21.645 18.482 -12.143 325 HG1 THR 44 HG1 THR 44 -18.942 19.223 -12.266 326 HG21 THR 44 HG21 THR 44 -19.515 19.198 -10.129 327 HG22 THR 44 HG22 THR 44 -21.214 18.893 -9.758 328 HG23 THR 44 HG23 THR 44 -20.759 20.283 -10.747 329 H ARG 45 HN ARG 45 -22.483 16.721 -12.717 330 HA ARG 45 HA ARG 45 -21.902 14.413 -14.258 331 HB2 ARG 45 HB2 ARG 45 -24.016 16.519 -14.767 332 HB3 ARG 45 HB1 ARG 45 -24.004 14.884 -15.409 333 HG2 ARG 45 HG2 ARG 45 -24.212 15.575 -12.482 334 HG3 ARG 45 HG1 ARG 45 -25.579 15.201 -13.530 335 HD2 ARG 45 HD2 ARG 45 -24.635 12.980 -13.953 336 HD3 ARG 45 HD1 ARG 45 -23.274 13.359 -12.909 337 HE ARG 45 HE ARG 45 -24.899 13.530 -11.061 338 HH11 ARG 45 HH11 ARG 45 -25.824 11.735 -13.945 339 HH12 ARG 45 HH12 ARG 45 -26.961 10.736 -13.102 340 HH21 ARG 45 HH21 ARG 45 -26.417 12.187 -9.963 341 HH22 ARG 45 HH22 ARG 45 -27.286 10.984 -10.854 342 H ARG 46 HN ARG 46 -21.156 17.698 -14.617 343 HA ARG 46 HA ARG 46 -20.667 17.537 -17.489 344 HB2 ARG 46 HB2 ARG 46 -21.729 19.559 -16.595 345 HB3 ARG 46 HB1 ARG 46 -20.381 19.805 -15.499 346 HG2 ARG 46 HG2 ARG 46 -18.911 20.108 -17.483 347 HG3 ARG 46 HG1 ARG 46 -20.351 20.030 -18.500 348 HD2 ARG 46 HD2 ARG 46 -21.258 21.989 -17.483 349 HD3 ARG 46 HD1 ARG 46 -20.003 21.988 -16.245 350 HE ARG 46 HE ARG 46 -18.822 22.153 -18.794 351 HH11 ARG 46 HH11 ARG 46 -20.698 24.081 -16.545 352 HH12 ARG 46 HH12 ARG 46 -20.042 25.591 -17.070 353 HH21 ARG 46 HH21 ARG 46 -17.916 24.155 -19.495 354 HH22 ARG 46 HH22 ARG 46 -18.438 25.631 -18.762 355 H ASN 47 HN ASN 47 -19.114 16.466 -14.864 356 HA ASN 47 HA ASN 47 -16.995 15.873 -14.333 357 HB2 ASN 47 HB2 ASN 47 -16.411 16.819 -17.141 358 HB3 ASN 47 HB1 ASN 47 -15.178 16.137 -16.087 359 HD21 ASN 47 HD21 ASN 47 -18.014 15.508 -17.964 360 HD22 ASN 47 HD22 ASN 47 -17.900 13.784 -17.940 361 H ARG 48 HN ARG 48 -18.167 18.614 -14.149 362 HA ARG 48 HA ARG 48 -15.864 20.365 -13.924 363 HB2 ARG 48 HB2 ARG 48 -18.151 21.129 -14.640 364 HB3 ARG 48 HB1 ARG 48 -18.741 20.733 -13.041 365 HG2 ARG 48 HG2 ARG 48 -17.104 22.424 -12.146 366 HG3 ARG 48 HG1 ARG 48 -16.839 22.915 -13.826 367 HD2 ARG 48 HD2 ARG 48 -19.364 23.118 -13.997 368 HD3 ARG 48 HD1 ARG 48 -19.388 23.002 -12.242 369 HE ARG 48 HE ARG 48 -17.754 25.075 -13.492 370 HH11 ARG 48 HH11 ARG 48 -20.594 24.193 -11.609 371 HH12 ARG 48 HH12 ARG 48 -20.961 25.823 -11.160 372 HH21 ARG 48 HH21 ARG 48 -18.280 27.235 -12.933 373 HH22 ARG 48 HH22 ARG 48 -19.646 27.554 -11.916 374 H GLN 49 HN GLN 49 -14.636 20.339 -12.111 375 HA GLN 49 HA GLN 49 -15.689 18.806 -9.863 376 HB2 GLN 49 HB2 GLN 49 -12.829 19.563 -10.441 377 HB3 GLN 49 HB1 GLN 49 -13.401 18.472 -9.188 378 HG2 GLN 49 HG2 GLN 49 -14.284 16.965 -10.909 379 HG3 GLN 49 HG1 GLN 49 -13.659 18.042 -12.154 380 HE21 GLN 49 HE21 GLN 49 -11.980 17.447 -9.190 381 HE22 GLN 49 HE22 GLN 49 -10.684 16.519 -9.872 382 H VAL 50 HN VAL 50 -15.239 19.437 -7.712 383 HA VAL 50 HA VAL 50 -14.478 22.172 -7.182 384 HB VAL 50 HB VAL 50 -16.918 22.281 -7.690 385 HG11 VAL 50 HG11 VAL 50 -18.540 21.301 -6.180 386 HG12 VAL 50 HG12 VAL 50 -17.230 20.493 -5.315 387 HG13 VAL 50 HG13 VAL 50 -17.559 20.080 -6.998 388 HG21 VAL 50 HG21 VAL 50 -15.935 23.911 -6.175 389 HG22 VAL 50 HG22 VAL 50 -16.192 22.819 -4.815 390 HG23 VAL 50 HG23 VAL 50 -17.576 23.512 -5.663 391 H CYS 51 HN CYS 51 -13.567 22.338 -5.181 392 HA CYS 51 HA CYS 51 -13.459 19.871 -3.597 393 HB2 CYS 51 HB2 CYS 51 -11.701 22.316 -3.586 394 HB3 CYS 51 HB1 CYS 51 -11.490 20.922 -2.533 395 H ALA 52 HN ALA 52 -13.760 19.877 -1.348 396 HA ALA 52 HA ALA 52 -14.570 22.325 -0.038 397 HB1 ALA 52 HB1 ALA 52 -16.733 21.503 0.683 398 HB2 ALA 52 HB2 ALA 52 -16.492 20.009 -0.223 399 HB3 ALA 52 HB3 ALA 52 -16.656 21.545 -1.078 400 H ASN 53 HN ASN 53 -14.554 22.194 2.213 401 HA ASN 53 HA ASN 53 -12.878 20.098 3.273 402 HB2 ASN 53 HB2 ASN 53 -14.122 22.470 4.696 403 HB3 ASN 53 HB1 ASN 53 -12.865 21.422 5.340 404 HD21 ASN 53 HD21 ASN 53 -10.743 21.599 4.503 405 HD22 ASN 53 HD22 ASN 53 -10.247 22.991 3.610 406 HA PRO 54 HA PRO 54 -16.207 17.538 4.629 407 HB2 PRO 54 HB2 PRO 54 -14.891 15.981 6.381 408 HB3 PRO 54 HB1 PRO 54 -14.561 15.906 4.645 409 HG2 PRO 54 HG2 PRO 54 -13.091 17.419 6.776 410 HG3 PRO 54 HG1 PRO 54 -12.432 16.341 5.527 411 HD2 PRO 54 HD2 PRO 54 -12.411 19.004 5.233 412 HD3 PRO 54 HD1 PRO 54 -12.696 17.919 3.857 413 H GLU 55 HN GLU 55 -15.030 19.977 6.516 414 HA GLU 55 HA GLU 55 -16.245 19.073 8.983 415 HB2 GLU 55 HB2 GLU 55 -14.842 21.670 8.350 416 HB3 GLU 55 HB1 GLU 55 -15.396 21.176 9.945 417 HG2 GLU 55 HG2 GLU 55 -13.902 19.186 9.767 418 HG3 GLU 55 HG1 GLU 55 -13.262 19.872 8.275 419 H LYS 56 HN LYS 56 -17.460 20.330 6.255 420 HA LYS 56 HA LYS 56 -19.459 21.982 7.634 421 HB2 LYS 56 HB2 LYS 56 -18.697 21.767 4.725 422 HB3 LYS 56 HB1 LYS 56 -20.153 22.593 5.256 423 HG2 LYS 56 HG2 LYS 56 -17.332 23.315 6.041 424 HG3 LYS 56 HG1 LYS 56 -18.325 24.156 4.848 425 HD2 LYS 56 HD2 LYS 56 -19.990 24.606 6.651 426 HD3 LYS 56 HD1 LYS 56 -18.862 23.904 7.809 427 HE2 LYS 56 HE2 LYS 56 -17.199 25.605 7.200 428 HE3 LYS 56 HE1 LYS 56 -18.350 26.314 6.070 429 HZ1 LYS 56 HZ1 LYS 56 -18.672 26.119 9.012 430 HZ2 LYS 56 HZ2 LYS 56 -19.837 26.735 7.959 431 HZ3 LYS 56 HZ3 LYS 56 -18.355 27.528 8.134 432 H LYS 57 HN LYS 57 -21.629 21.526 7.539 433 HA LYS 57 HA LYS 57 -22.358 18.829 7.538 434 HB2 LYS 57 HB2 LYS 57 -23.644 20.402 8.822 435 HB3 LYS 57 HB1 LYS 57 -24.082 21.300 7.374 436 HG2 LYS 57 HG2 LYS 57 -25.379 19.397 6.572 437 HG3 LYS 57 HG1 LYS 57 -24.926 18.474 8.004 438 HD2 LYS 57 HD2 LYS 57 -26.078 20.084 9.420 439 HD3 LYS 57 HD1 LYS 57 -26.480 21.060 8.007 440 HE2 LYS 57 HE2 LYS 57 -28.369 19.664 8.737 441 HE3 LYS 57 HE1 LYS 57 -27.833 19.263 7.108 442 HZ1 LYS 57 HZ1 LYS 57 -26.782 17.305 7.880 443 HZ2 LYS 57 HZ2 LYS 57 -28.311 17.327 8.604 444 HZ3 LYS 57 HZ3 LYS 57 -26.949 17.758 9.505 445 H TRP 58 HN TRP 58 -22.785 21.296 5.038 446 HA TRP 58 HA TRP 58 -24.438 19.810 3.341 447 HB2 TRP 58 HB2 TRP 58 -22.404 21.948 2.708 448 HB3 TRP 58 HB1 TRP 58 -23.488 21.259 1.503 449 HD1 TRP 58 HD1 TRP 58 -23.271 24.071 3.827 450 HE1 TRP 58 HE1 TRP 58 -25.574 25.160 4.174 451 HE3 TRP 58 HE3 TRP 58 -26.212 20.410 1.808 452 HZ2 TRP 58 HZ2 TRP 58 -28.281 24.548 3.666 453 HZ3 TRP 58 HZ3 TRP 58 -28.649 20.739 1.779 454 HH2 TRP 58 HH2 TRP 58 -29.659 22.763 2.690 455 H VAL 59 HN VAL 59 -20.988 19.890 3.709 456 HA VAL 59 HA VAL 59 -20.354 18.334 1.435 457 HB VAL 59 HB VAL 59 -18.816 18.651 4.024 458 HG11 VAL 59 HG11 VAL 59 -16.854 18.047 2.676 459 HG12 VAL 59 HG12 VAL 59 -17.911 17.737 1.299 460 HG13 VAL 59 HG13 VAL 59 -18.036 16.740 2.749 461 HG21 VAL 59 HG21 VAL 59 -17.586 20.402 2.855 462 HG22 VAL 59 HG22 VAL 59 -19.306 20.787 2.938 463 HG23 VAL 59 HG23 VAL 59 -18.609 20.183 1.436 464 H GLN 60 HN GLN 60 -21.082 17.614 4.777 465 HA GLN 60 HA GLN 60 -20.564 14.834 4.656 466 HB2 GLN 60 HB2 GLN 60 -22.353 16.392 6.525 467 HB3 GLN 60 HB1 GLN 60 -21.828 14.732 6.766 468 HG2 GLN 60 HG2 GLN 60 -20.013 17.120 6.621 469 HG3 GLN 60 HG1 GLN 60 -20.560 16.357 8.107 470 HE21 GLN 60 HE21 GLN 60 -18.471 16.142 5.379 471 HE22 GLN 60 HE22 GLN 60 -17.534 14.799 5.923 472 H GLU 61 HN GLU 61 -23.417 16.842 4.167 473 HA GLU 61 HA GLU 61 -25.294 14.788 3.916 474 HB2 GLU 61 HB2 GLU 61 -25.248 17.438 2.473 475 HB3 GLU 61 HB1 GLU 61 -26.648 16.403 2.701 476 HG2 GLU 61 HG2 GLU 61 -25.114 17.725 4.917 477 HG3 GLU 61 HG1 GLU 61 -26.585 18.357 4.195 478 H TYR 62 HN TYR 62 -23.338 16.489 1.542 479 HA TYR 62 HA TYR 62 -24.390 14.995 -0.635 480 HB2 TYR 62 HB2 TYR 62 -22.021 16.825 -0.386 481 HB3 TYR 62 HB1 TYR 62 -22.338 15.933 -1.873 482 HD1 TYR 62 HD1 TYR 62 -23.642 18.525 0.397 483 HD2 TYR 62 HD2 TYR 62 -24.129 16.562 -3.334 484 HE1 TYR 62 HE1 TYR 62 -25.246 20.253 -0.289 485 HE2 TYR 62 HE2 TYR 62 -25.738 18.284 -4.034 486 HH TYR 62 HH TYR 62 -26.067 21.201 -2.522 487 H ILE 63 HN ILE 63 -21.585 14.601 1.426 488 HA ILE 63 HA ILE 63 -20.435 12.472 -0.049 489 HB ILE 63 HB ILE 63 -20.217 13.268 2.852 490 HG12 ILE 63 HG12 ILE 63 -18.203 13.279 0.591 491 HG13 ILE 63 HG11 ILE 63 -19.101 14.682 1.160 492 HG21 ILE 63 HG21 ILE 63 -18.783 10.972 1.512 493 HG22 ILE 63 HG22 ILE 63 -19.995 10.844 2.787 494 HG23 ILE 63 HG23 ILE 63 -18.436 11.599 3.124 495 HD11 ILE 63 HD11 ILE 63 -16.868 14.710 2.056 496 HD12 ILE 63 HD12 ILE 63 -17.081 13.093 2.725 497 HD13 ILE 63 HD13 ILE 63 -18.023 14.442 3.360 498 H ASN 64 HN ASN 64 -22.659 12.525 2.704 499 HA ASN 64 HA ASN 64 -22.862 9.716 2.928 500 HB2 ASN 64 HB2 ASN 64 -23.882 10.257 4.849 501 HB3 ASN 64 HB1 ASN 64 -23.764 11.948 4.388 502 HD21 ASN 64 HD21 ASN 64 -25.559 12.966 3.520 503 HD22 ASN 64 HD22 ASN 64 -27.153 12.321 3.692 504 H TYR 65 HN TYR 65 -24.581 12.069 1.025 505 HA TYR 65 HA TYR 65 -26.582 10.169 0.220 506 HB2 TYR 65 HB2 TYR 65 -25.981 12.986 -0.621 507 HB3 TYR 65 HB1 TYR 65 -27.160 12.005 -1.479 508 HD1 TYR 65 HD1 TYR 65 -27.027 14.549 0.710 509 HD2 TYR 65 HD2 TYR 65 -28.662 10.627 0.514 510 HE1 TYR 65 HE1 TYR 65 -28.705 15.173 2.384 511 HE2 TYR 65 HE2 TYR 65 -30.350 11.244 2.192 512 HH TYR 65 HH TYR 65 -30.782 14.533 3.242 513 H LEU 66 HN LEU 66 -23.584 11.426 -1.124 514 HA LEU 66 HA LEU 66 -24.021 10.067 -3.621 515 HB2 LEU 66 HB2 LEU 66 -21.614 11.487 -2.520 516 HB3 LEU 66 HB1 LEU 66 -21.618 10.682 -4.077 517 HG LEU 66 HG LEU 66 -23.365 13.001 -3.277 518 HD11 LEU 66 HD11 LEU 66 -21.035 13.619 -3.559 519 HD12 LEU 66 HD12 LEU 66 -22.011 14.248 -4.885 520 HD13 LEU 66 HD13 LEU 66 -20.999 12.826 -5.133 521 HD21 LEU 66 HD21 LEU 66 -24.486 11.502 -4.859 522 HD22 LEU 66 HD22 LEU 66 -23.085 11.576 -5.927 523 HD23 LEU 66 HD23 LEU 66 -24.044 13.024 -5.624 524 H GLU 67 HN GLU 67 -22.502 9.251 -0.594 525 HA GLU 67 HA GLU 67 -21.003 7.065 -1.611 526 HB2 GLU 67 HB2 GLU 67 -20.766 6.329 0.688 527 HB3 GLU 67 HB1 GLU 67 -20.588 8.077 0.626 528 HG2 GLU 67 HG2 GLU 67 -22.814 8.376 1.471 529 HG3 GLU 67 HG1 GLU 67 -23.097 6.639 1.428 530 H MET 68 HN MET 68 -24.310 7.489 -0.608 531 HA MET 68 HA MET 68 -24.903 4.668 -1.024 532 HB2 MET 68 HB2 MET 68 -27.192 5.239 -0.343 533 HB3 MET 68 HB1 MET 68 -26.024 5.796 0.845 534 HG2 MET 68 HG2 MET 68 -26.234 8.073 0.027 535 HG3 MET 68 HG1 MET 68 -27.314 7.524 -1.256 536 HE1 MET 68 HE1 MET 68 -27.233 6.339 2.523 537 HE2 MET 68 HE2 MET 68 -28.388 7.461 3.242 538 HE3 MET 68 HE3 MET 68 -26.857 8.060 2.604 539 H SER 69 HN SER 69 -24.736 7.529 -2.752 540 HA SER 69 HA SER 69 -25.291 8.217 -4.832 541 HB2 SER 69 HB2 SER 69 -23.933 6.179 -5.349 542 HB3 SER 69 HB1 SER 69 -25.435 5.264 -5.473 543 HG SER 69 HG SER 69 -25.000 5.897 -7.513 544 H1 MET 1 HT1 MET 1 -10.129 20.517 -17.526 545 HA MET 1 HA MET 1 -9.466 21.280 -15.392 546 HB2 MET 1 HB2 MET 1 -8.270 23.573 -16.955 547 HB3 MET 1 HB1 MET 1 -8.523 23.610 -15.217 548 HG2 MET 1 HG2 MET 1 -7.021 21.679 -14.977 549 HG3 MET 1 HG1 MET 1 -6.744 21.700 -16.718 550 HE1 MET 1 HE1 MET 1 -5.469 23.615 -18.000 551 HE2 MET 1 HE2 MET 1 -4.863 25.084 -17.236 552 HE3 MET 1 HE3 MET 1 -6.600 24.815 -17.373 553 H SER 2 HN SER 2 -10.733 22.773 -14.182 554 HA SER 2 HA SER 2 -12.538 24.567 -15.525 555 HB2 SER 2 HB2 SER 2 -13.550 22.165 -15.625 556 HB3 SER 2 HB1 SER 2 -13.797 22.355 -13.892 557 HG SER 2 HG SER 2 -14.686 24.537 -15.204 558 HA PRO 3 HA PRO 3 -11.105 25.431 -11.172 559 HB2 PRO 3 HB2 PRO 3 -9.915 27.883 -12.119 560 HB3 PRO 3 HB1 PRO 3 -9.110 26.452 -11.475 561 HG2 PRO 3 HG2 PRO 3 -8.927 27.258 -14.091 562 HG3 PRO 3 HG1 PRO 3 -8.722 25.581 -13.556 563 HD2 PRO 3 HD2 PRO 3 -11.124 26.909 -14.754 564 HD3 PRO 3 HD1 PRO 3 -10.450 25.296 -15.077 565 H TYR 4 HN TYR 4 -13.675 25.840 -11.602 566 HA TYR 4 HA TYR 4 -14.110 28.713 -11.167 567 HB2 TYR 4 HB2 TYR 4 -15.435 27.163 -12.904 568 HB3 TYR 4 HB1 TYR 4 -16.426 26.874 -11.477 569 HD1 TYR 4 HD1 TYR 4 -15.781 29.064 -14.199 570 HD2 TYR 4 HD2 TYR 4 -17.311 28.972 -10.231 571 HE1 TYR 4 HE1 TYR 4 -16.940 31.191 -14.604 572 HE2 TYR 4 HE2 TYR 4 -18.478 31.101 -10.627 573 HH TYR 4 HH TYR 4 -18.219 33.079 -12.140 574 H GLY 5 HN GLY 5 -14.676 29.424 -9.203 575 HA2 GLY 5 HA2 GLY 5 -15.469 29.355 -7.035 576 HA3 GLY 5 HA1 GLY 5 -15.840 27.646 -7.253 577 H SER 6 HN SER 6 -14.264 26.102 -6.883 578 HA SER 6 HA SER 6 -11.576 26.693 -6.191 579 HB2 SER 6 HB2 SER 6 -13.455 25.963 -3.913 580 HB3 SER 6 HB1 SER 6 -11.698 26.008 -3.803 581 HG SER 6 HG SER 6 -12.742 28.318 -4.796 582 H ASP 7 HN ASP 7 -11.114 25.004 -7.605 583 HA ASP 7 HA ASP 7 -12.083 22.359 -6.755 584 HB2 ASP 7 HB2 ASP 7 -12.210 21.625 -8.955 585 HB3 ASP 7 HB1 ASP 7 -12.760 23.289 -9.077 586 H THR 8 HN THR 8 -10.417 20.784 -8.262 587 HA THR 8 HA THR 8 -8.305 20.257 -6.645 588 HB THR 8 HB THR 8 -7.280 19.179 -8.771 589 HG1 THR 8 HG1 THR 8 -9.215 20.649 -9.871 590 HG21 THR 8 HG21 THR 8 -8.893 17.349 -8.631 591 HG22 THR 8 HG22 THR 8 -10.036 18.410 -7.808 592 HG23 THR 8 HG23 THR 8 -8.514 17.973 -7.023 593 H THR 9 HN THR 9 -6.607 21.361 -6.083 594 HA THR 9 HA THR 9 -5.420 23.274 -7.946 595 HB THR 9 HB THR 9 -5.094 22.978 -4.949 596 HG1 THR 9 HG1 THR 9 -7.182 23.774 -5.942 597 HG21 THR 9 HG21 THR 9 -3.940 25.094 -5.022 598 HG22 THR 9 HG22 THR 9 -4.208 25.230 -6.759 599 HG23 THR 9 HG23 THR 9 -3.136 23.979 -6.126 600 HA PRO 10 HA PRO 10 -2.020 20.383 -8.305 601 HB2 PRO 10 HB2 PRO 10 -0.390 21.965 -9.789 602 HB3 PRO 10 HB1 PRO 10 -1.778 21.106 -10.472 603 HG2 PRO 10 HG2 PRO 10 -1.499 23.974 -9.705 604 HG3 PRO 10 HG1 PRO 10 -2.366 23.257 -11.073 605 HD2 PRO 10 HD2 PRO 10 -3.572 24.133 -8.765 606 HD3 PRO 10 HD1 PRO 10 -4.252 22.892 -9.835 607 H CYS 11 HN CYS 11 -1.011 20.147 -6.408 608 HA CYS 11 HA CYS 11 0.943 22.206 -5.657 609 HB2 CYS 11 HB2 CYS 11 -1.168 22.184 -4.203 610 HB3 CYS 11 HB1 CYS 11 -0.635 20.605 -3.640 611 H CYS 12 HN CYS 12 2.534 21.183 -4.008 612 HA CYS 12 HA CYS 12 2.856 18.412 -3.881 613 HB2 CYS 12 HB2 CYS 12 4.840 18.158 -5.388 614 HB3 CYS 12 HB1 CYS 12 3.322 18.426 -6.235 615 H PHE 13 HN PHE 13 4.648 17.774 -2.711 616 HA PHE 13 HA PHE 13 6.639 19.707 -1.930 617 HB2 PHE 13 HB2 PHE 13 4.901 20.130 -0.255 618 HB3 PHE 13 HB1 PHE 13 4.815 18.414 0.125 619 HD1 PHE 13 HD1 PHE 13 7.263 21.233 0.053 620 HD2 PHE 13 HD2 PHE 13 6.023 17.622 1.932 621 HE1 PHE 13 HE1 PHE 13 8.983 21.547 1.783 622 HE2 PHE 13 HE2 PHE 13 7.740 17.930 3.663 623 HZ PHE 13 HZ PHE 13 9.222 19.894 3.592 624 H ALA 14 HN ALA 14 7.916 18.278 -3.149 625 HA ALA 14 HA ALA 14 9.235 16.288 -1.691 626 HB1 ALA 14 HB1 ALA 14 7.181 14.992 -2.113 627 HB2 ALA 14 HB2 ALA 14 8.566 14.307 -2.960 628 HB3 ALA 14 HB3 ALA 14 7.376 15.259 -3.845 629 H TYR 15 HN TYR 15 10.458 14.863 -3.496 630 HA TYR 15 HA TYR 15 10.901 16.160 -5.975 631 HB2 TYR 15 HB2 TYR 15 13.304 16.696 -5.617 632 HB3 TYR 15 HB1 TYR 15 12.231 17.698 -4.654 633 HD1 TYR 15 HD1 TYR 15 14.874 15.200 -4.591 634 HD2 TYR 15 HD2 TYR 15 12.101 17.372 -2.206 635 HE1 TYR 15 HE1 TYR 15 16.162 14.626 -2.578 636 HE2 TYR 15 HE2 TYR 15 13.380 16.800 -0.186 637 HH TYR 15 HH TYR 15 14.970 15.085 0.567 638 H LEU 16 HN LEU 16 11.854 14.823 -7.404 639 HA LEU 16 HA LEU 16 11.985 12.058 -6.641 640 HB2 LEU 16 HB2 LEU 16 11.372 13.370 -8.955 641 HB3 LEU 16 HB1 LEU 16 13.014 12.862 -9.288 642 HG LEU 16 HG LEU 16 10.751 11.008 -8.526 643 HD11 LEU 16 HD11 LEU 16 10.814 10.283 -10.846 644 HD12 LEU 16 HD12 LEU 16 12.041 11.503 -11.200 645 HD13 LEU 16 HD13 LEU 16 10.415 11.997 -10.724 646 HD21 LEU 16 HD21 LEU 16 12.271 9.220 -9.167 647 HD22 LEU 16 HD22 LEU 16 12.957 10.178 -7.854 648 HD23 LEU 16 HD23 LEU 16 13.536 10.399 -9.504 649 H SER 17 HN SER 17 13.701 10.927 -6.090 650 HA SER 17 HA SER 17 16.164 12.083 -5.480 651 HB2 SER 17 HB2 SER 17 15.467 9.190 -5.992 652 HB3 SER 17 HB1 SER 17 16.937 9.748 -5.186 653 HG SER 17 HG SER 17 14.723 10.838 -4.062 654 H LEU 18 HN LEU 18 15.021 10.482 -8.369 655 HA LEU 18 HA LEU 18 17.632 10.753 -9.626 656 HB2 LEU 18 HB2 LEU 18 15.123 9.318 -10.517 657 HB3 LEU 18 HB1 LEU 18 16.531 9.508 -11.536 658 HG LEU 18 HG LEU 18 17.835 8.248 -9.747 659 HD11 LEU 18 HD11 LEU 18 16.266 8.502 -7.910 660 HD12 LEU 18 HD12 LEU 18 16.549 6.797 -8.264 661 HD13 LEU 18 HD13 LEU 18 15.057 7.573 -8.795 662 HD21 LEU 18 HD21 LEU 18 17.195 7.236 -11.859 663 HD22 LEU 18 HD22 LEU 18 15.609 6.832 -11.204 664 HD23 LEU 18 HD23 LEU 18 17.054 6.066 -10.546 665 H ALA 19 HN ALA 19 17.728 12.918 -9.954 666 HA ALA 19 HA ALA 19 15.609 14.429 -11.097 667 HB1 ALA 19 HB1 ALA 19 18.536 15.126 -10.837 668 HB2 ALA 19 HB2 ALA 19 17.303 15.419 -9.614 669 HB3 ALA 19 HB3 ALA 19 17.221 16.257 -11.164 670 H LEU 20 HN LEU 20 15.053 14.569 -13.142 671 HA LEU 20 HA LEU 20 16.398 13.134 -15.170 672 HB2 LEU 20 HB2 LEU 20 14.704 14.234 -16.689 673 HB3 LEU 20 HB1 LEU 20 14.060 13.276 -15.375 674 HG LEU 20 HG LEU 20 13.839 15.557 -14.139 675 HD11 LEU 20 HD11 LEU 20 13.944 16.491 -16.998 676 HD12 LEU 20 HD12 LEU 20 15.098 16.895 -15.726 677 HD13 LEU 20 HD13 LEU 20 13.428 17.453 -15.612 678 HD21 LEU 20 HD21 LEU 20 12.072 14.771 -16.445 679 HD22 LEU 20 HD22 LEU 20 11.624 15.897 -15.165 680 HD23 LEU 20 HD23 LEU 20 11.951 14.207 -14.778 681 HA PRO 21 HA PRO 21 19.317 16.050 -16.672 682 HB2 PRO 21 HB2 PRO 21 19.528 15.280 -19.260 683 HB3 PRO 21 HB1 PRO 21 20.174 14.326 -17.919 684 HG2 PRO 21 HG2 PRO 21 17.619 13.977 -19.432 685 HG3 PRO 21 HG1 PRO 21 18.788 12.753 -18.907 686 HD2 PRO 21 HD2 PRO 21 16.482 13.233 -17.575 687 HD3 PRO 21 HD1 PRO 21 17.967 12.700 -16.762 688 H ARG 22 HN ARG 22 19.685 17.801 -18.123 689 HA ARG 22 HA ARG 22 17.478 19.509 -18.466 690 HB2 ARG 22 HB2 ARG 22 20.322 19.621 -19.422 691 HB3 ARG 22 HB1 ARG 22 19.165 20.875 -19.839 692 HG2 ARG 22 HG2 ARG 22 18.919 21.537 -17.598 693 HG3 ARG 22 HG1 ARG 22 19.709 20.077 -17.000 694 HD2 ARG 22 HD2 ARG 22 21.076 22.162 -18.689 695 HD3 ARG 22 HD1 ARG 22 21.118 22.135 -16.925 696 HE ARG 22 HE ARG 22 21.925 19.630 -17.749 697 HH11 ARG 22 HH11 ARG 22 23.064 22.903 -18.228 698 HH12 ARG 22 HH12 ARG 22 24.731 22.456 -18.275 699 HH21 ARG 22 HH21 ARG 22 24.134 19.026 -17.837 700 HH22 ARG 22 HH22 ARG 22 25.344 20.238 -18.067 701 H ALA 23 HN ALA 23 19.009 17.269 -20.650 702 HA ALA 23 HA ALA 23 17.841 18.370 -23.009 703 HB1 ALA 23 HB1 ALA 23 18.665 16.381 -24.128 704 HB2 ALA 23 HB2 ALA 23 18.995 15.621 -22.573 705 HB3 ALA 23 HB3 ALA 23 19.908 17.045 -23.068 706 H HIS 24 HN HIS 24 16.636 16.446 -20.489 707 HA HIS 24 HA HIS 24 14.535 15.342 -22.179 708 HB2 HIS 24 HB2 HIS 24 15.584 14.685 -19.473 709 HB3 HIS 24 HB1 HIS 24 13.917 14.280 -19.857 710 HD1 HIS 24 HD1 HIS 24 13.889 11.861 -20.358 711 HD2 HIS 24 HD2 HIS 24 17.158 13.760 -22.075 712 HE1 HIS 24 HE1 HIS 24 15.041 10.107 -21.720 713 H VAL 25 HN VAL 25 15.120 17.827 -19.883 714 HA VAL 25 HA VAL 25 12.287 18.160 -19.371 715 HB VAL 25 HB VAL 25 14.168 18.598 -17.630 716 HG11 VAL 25 HG11 VAL 25 15.041 20.852 -17.537 717 HG12 VAL 25 HG12 VAL 25 14.205 21.257 -19.029 718 HG13 VAL 25 HG13 VAL 25 15.524 20.080 -19.053 719 HG21 VAL 25 HG21 VAL 25 11.815 19.056 -17.232 720 HG22 VAL 25 HG22 VAL 25 11.969 20.617 -18.039 721 HG23 VAL 25 HG23 VAL 25 12.827 20.316 -16.528 722 H LYS 26 HN LYS 26 11.111 19.993 -20.006 723 HA LYS 26 HA LYS 26 12.249 21.319 -22.370 724 HB2 LYS 26 HB2 LYS 26 10.295 19.871 -22.798 725 HB3 LYS 26 HB1 LYS 26 9.360 20.818 -21.654 726 HG2 LYS 26 HG2 LYS 26 9.570 22.781 -23.078 727 HG3 LYS 26 HG1 LYS 26 10.544 21.854 -24.220 728 HD2 LYS 26 HD2 LYS 26 8.186 22.049 -24.932 729 HD3 LYS 26 HD1 LYS 26 8.676 20.375 -24.665 730 HE2 LYS 26 HE2 LYS 26 7.573 20.333 -22.533 731 HE3 LYS 26 HE1 LYS 26 7.231 22.056 -22.626 732 HZ1 LYS 26 HZ1 LYS 26 6.087 19.910 -24.323 733 HZ2 LYS 26 HZ2 LYS 26 5.849 21.555 -24.602 734 HZ3 LYS 26 HZ3 LYS 26 5.269 20.852 -23.182 735 H GLU 27 HN GLU 27 10.363 21.752 -19.434 736 HA GLU 27 HA GLU 27 11.283 24.438 -19.146 737 HB2 GLU 27 HB2 GLU 27 9.078 25.499 -19.211 738 HB3 GLU 27 HB1 GLU 27 9.469 24.777 -20.767 739 HG2 GLU 27 HG2 GLU 27 8.098 22.820 -20.147 740 HG3 GLU 27 HG1 GLU 27 7.627 23.666 -18.672 741 H TYR 28 HN TYR 28 9.921 25.455 -17.247 742 HA TYR 28 HA TYR 28 9.233 23.396 -15.287 743 HB2 TYR 28 HB2 TYR 28 10.522 24.427 -13.571 744 HB3 TYR 28 HB1 TYR 28 11.596 24.312 -14.960 745 HD1 TYR 28 HD1 TYR 28 10.231 26.451 -12.487 746 HD2 TYR 28 HD2 TYR 28 11.796 26.447 -16.440 747 HE1 TYR 28 HE1 TYR 28 10.649 28.861 -12.318 748 HE2 TYR 28 HE2 TYR 28 12.225 28.866 -16.277 749 HH TYR 28 HH TYR 28 12.086 30.565 -13.339 750 H PHE 29 HN PHE 29 7.964 24.348 -13.470 751 HA PHE 29 HA PHE 29 6.592 26.839 -14.068 752 HB2 PHE 29 HB2 PHE 29 5.389 25.021 -15.328 753 HB3 PHE 29 HB1 PHE 29 5.089 24.218 -13.794 754 HD1 PHE 29 HD1 PHE 29 4.666 27.628 -15.262 755 HD2 PHE 29 HD2 PHE 29 2.989 24.488 -12.930 756 HE1 PHE 29 HE1 PHE 29 2.589 28.920 -15.022 757 HE2 PHE 29 HE2 PHE 29 0.909 25.777 -12.682 758 HZ PHE 29 HZ PHE 29 0.707 27.997 -13.730 759 H TYR 30 HN TYR 30 5.359 27.584 -12.207 760 HA TYR 30 HA TYR 30 6.403 26.445 -9.715 761 HB2 TYR 30 HB2 TYR 30 5.103 29.123 -10.264 762 HB3 TYR 30 HB1 TYR 30 5.671 28.588 -8.689 763 HD1 TYR 30 HD1 TYR 30 6.592 30.046 -11.860 764 HD2 TYR 30 HD2 TYR 30 8.124 28.219 -8.341 765 HE1 TYR 30 HE1 TYR 30 8.817 30.961 -12.362 766 HE2 TYR 30 HE2 TYR 30 10.353 29.127 -8.831 767 HH TYR 30 HH TYR 30 11.634 29.929 -10.734 768 H THR 31 HN THR 31 4.989 26.126 -7.905 769 HA THR 31 HA THR 31 2.501 24.977 -8.611 770 HB THR 31 HB THR 31 2.181 24.914 -6.058 771 HG1 THR 31 HG1 THR 31 3.598 25.983 -4.932 772 HG21 THR 31 HG21 THR 31 3.757 23.068 -5.826 773 HG22 THR 31 HG22 THR 31 4.626 23.611 -7.263 774 HG23 THR 31 HG23 THR 31 2.972 23.015 -7.404 775 H SER 32 HN SER 32 0.456 25.575 -7.371 776 HA SER 32 HA SER 32 -0.244 28.226 -8.100 777 HB2 SER 32 HB2 SER 32 -1.769 26.148 -6.529 778 HB3 SER 32 HB1 SER 32 -2.456 27.639 -7.176 779 HG SER 32 HG SER 32 -1.611 26.818 -9.272 780 H SER 33 HN SER 33 -0.955 29.923 -6.780 781 HA SER 33 HA SER 33 0.562 30.343 -4.414 782 HB2 SER 33 HB2 SER 33 -1.777 31.973 -5.401 783 HB3 SER 33 HB1 SER 33 -0.434 32.517 -4.394 784 HG SER 33 HG SER 33 -0.179 33.119 -6.587 785 H LYS 34 HN LYS 34 -2.210 28.624 -4.918 786 HA LYS 34 HA LYS 34 -3.697 29.314 -2.563 787 HB2 LYS 34 HB2 LYS 34 -3.899 26.797 -4.213 788 HB3 LYS 34 HB1 LYS 34 -5.128 27.469 -3.155 789 HG2 LYS 34 HG2 LYS 34 -4.140 28.712 -5.717 790 HG3 LYS 34 HG1 LYS 34 -5.654 27.833 -5.511 791 HD2 LYS 34 HD2 LYS 34 -6.438 29.502 -3.938 792 HD3 LYS 34 HD1 LYS 34 -4.894 30.349 -4.035 793 HE2 LYS 34 HE2 LYS 34 -5.285 30.800 -6.401 794 HE3 LYS 34 HE1 LYS 34 -6.818 29.932 -6.320 795 HZ1 LYS 34 HZ1 LYS 34 -7.656 31.567 -4.792 796 HZ2 LYS 34 HZ2 LYS 34 -7.071 32.356 -6.167 797 HZ3 LYS 34 HZ3 LYS 34 -6.163 32.356 -4.745 798 H CYS 35 HN CYS 35 -1.025 27.347 -3.326 799 HA CYS 35 HA CYS 35 -1.305 25.542 -1.098 800 HB2 CYS 35 HB2 CYS 35 1.074 25.998 -2.901 801 HB3 CYS 35 HB1 CYS 35 0.763 24.592 -1.887 802 H SER 36 HN SER 36 0.213 25.452 0.647 803 HA SER 36 HA SER 36 1.208 28.086 1.414 804 HB2 SER 36 HB2 SER 36 0.977 25.518 3.001 805 HB3 SER 36 HB1 SER 36 1.487 27.074 3.646 806 HG SER 36 HG SER 36 -0.712 27.698 2.572 807 H ASN 37 HN ASN 37 2.382 25.941 -0.493 808 HA ASN 37 HA ASN 37 5.122 26.123 0.546 809 HB2 ASN 37 HB2 ASN 37 4.276 23.815 0.852 810 HB3 ASN 37 HB1 ASN 37 3.909 23.734 -0.868 811 HD21 ASN 37 HD21 ASN 37 5.301 22.245 -1.595 812 HD22 ASN 37 HD22 ASN 37 7.019 22.343 -1.407 813 H LEU 38 HN LEU 38 6.682 26.518 -1.005 814 HA LEU 38 HA LEU 38 5.662 27.124 -3.682 815 HB2 LEU 38 HB2 LEU 38 7.016 28.806 -2.220 816 HB3 LEU 38 HB1 LEU 38 8.402 27.835 -2.662 817 HG LEU 38 HG LEU 38 8.228 29.822 -4.069 818 HD11 LEU 38 HD11 LEU 38 8.322 28.794 -6.280 819 HD12 LEU 38 HD12 LEU 38 7.701 27.294 -5.588 820 HD13 LEU 38 HD13 LEU 38 9.265 27.925 -5.072 821 HD21 LEU 38 HD21 LEU 38 5.804 30.125 -3.970 822 HD22 LEU 38 HD22 LEU 38 5.586 28.701 -4.988 823 HD23 LEU 38 HD23 LEU 38 6.390 30.131 -5.633 824 H ALA 39 HN ALA 39 5.980 25.627 -5.148 825 HA ALA 39 HA ALA 39 8.444 24.071 -5.080 826 HB1 ALA 39 HB1 ALA 39 6.766 22.681 -3.980 827 HB2 ALA 39 HB2 ALA 39 7.237 21.992 -5.534 828 HB3 ALA 39 HB3 ALA 39 5.705 22.849 -5.378 829 H VAL 40 HN VAL 40 8.629 22.785 -7.206 830 HA VAL 40 HA VAL 40 7.416 24.357 -9.353 831 HB VAL 40 HB VAL 40 9.489 24.213 -10.664 832 HG11 VAL 40 HG11 VAL 40 9.830 25.531 -7.985 833 HG12 VAL 40 HG12 VAL 40 9.012 26.215 -9.393 834 HG13 VAL 40 HG13 VAL 40 10.748 25.907 -9.444 835 HG21 VAL 40 HG21 VAL 40 10.722 23.161 -8.125 836 HG22 VAL 40 HG22 VAL 40 11.588 23.600 -9.600 837 HG23 VAL 40 HG23 VAL 40 10.459 22.246 -9.611 838 H VAL 41 HN VAL 41 7.103 23.347 -11.255 839 HA VAL 41 HA VAL 41 7.177 20.415 -11.174 840 HB VAL 41 HB VAL 41 5.154 22.137 -12.617 841 HG11 VAL 41 HG11 VAL 41 3.926 20.028 -12.856 842 HG12 VAL 41 HG12 VAL 41 5.279 19.172 -12.116 843 HG13 VAL 41 HG13 VAL 41 5.493 19.992 -13.664 844 HG21 VAL 41 HG21 VAL 41 4.857 22.384 -10.212 845 HG22 VAL 41 HG22 VAL 41 4.837 20.631 -10.021 846 HG23 VAL 41 HG23 VAL 41 3.542 21.436 -10.906 847 H PHE 42 HN PHE 42 8.487 19.619 -12.654 848 HA PHE 42 HA PHE 42 9.333 21.322 -14.857 849 HB2 PHE 42 HB2 PHE 42 10.387 18.712 -13.794 850 HB3 PHE 42 HB1 PHE 42 11.015 19.481 -15.243 851 HD1 PHE 42 HD1 PHE 42 10.977 19.460 -11.643 852 HD2 PHE 42 HD2 PHE 42 12.102 21.705 -15.071 853 HE1 PHE 42 HE1 PHE 42 12.441 20.844 -10.248 854 HE2 PHE 42 HE2 PHE 42 13.577 23.096 -13.687 855 HZ PHE 42 HZ PHE 42 13.756 22.665 -11.267 856 H VAL 43 HN VAL 43 8.780 21.037 -16.871 857 HA VAL 43 HA VAL 43 7.025 18.769 -17.493 858 HB VAL 43 HB VAL 43 7.338 21.365 -19.015 859 HG11 VAL 43 HG11 VAL 43 5.260 19.192 -19.207 860 HG12 VAL 43 HG12 VAL 43 6.547 19.512 -20.375 861 HG13 VAL 43 HG13 VAL 43 5.268 20.701 -20.123 862 HG21 VAL 43 HG21 VAL 43 5.180 20.570 -17.062 863 HG22 VAL 43 HG22 VAL 43 5.195 22.037 -18.040 864 HG23 VAL 43 HG23 VAL 43 6.418 21.794 -16.793 865 H THR 44 HN THR 44 7.962 17.207 -18.584 866 HA THR 44 HA THR 44 10.534 17.545 -19.800 867 HB THR 44 HB THR 44 10.305 15.156 -20.430 868 HG1 THR 44 HG1 THR 44 7.923 15.067 -18.948 869 HG21 THR 44 HG21 THR 44 9.530 15.782 -17.580 870 HG22 THR 44 HG22 THR 44 11.175 15.773 -18.219 871 HG23 THR 44 HG23 THR 44 10.245 14.274 -18.146 872 H ARG 45 HN ARG 45 10.808 16.349 -22.026 873 HA ARG 45 HA ARG 45 9.450 17.933 -23.980 874 HB2 ARG 45 HB2 ARG 45 11.241 15.523 -24.395 875 HB3 ARG 45 HB1 ARG 45 10.808 16.710 -25.616 876 HG2 ARG 45 HG2 ARG 45 12.318 17.414 -23.116 877 HG3 ARG 45 HG1 ARG 45 13.107 16.916 -24.612 878 HD2 ARG 45 HD2 ARG 45 12.275 18.796 -25.782 879 HD3 ARG 45 HD1 ARG 45 11.156 19.203 -24.481 880 HE ARG 45 HE ARG 45 13.409 19.468 -23.176 881 HH11 ARG 45 HH11 ARG 45 12.754 20.474 -26.478 882 HH12 ARG 45 HH12 ARG 45 13.880 21.787 -26.416 883 HH21 ARG 45 HH21 ARG 45 14.862 21.211 -23.101 884 HH22 ARG 45 HH22 ARG 45 15.073 22.214 -24.497 885 H ARG 46 HN ARG 46 8.677 15.116 -22.389 886 HA ARG 46 HA ARG 46 6.891 14.172 -24.523 887 HB2 ARG 46 HB2 ARG 46 8.416 12.501 -23.480 888 HB3 ARG 46 HB1 ARG 46 7.709 12.853 -21.912 889 HG2 ARG 46 HG2 ARG 46 5.531 12.048 -22.774 890 HG3 ARG 46 HG1 ARG 46 6.339 11.586 -24.272 891 HD2 ARG 46 HD2 ARG 46 7.658 9.970 -23.174 892 HD3 ARG 46 HD1 ARG 46 7.239 10.602 -21.582 893 HE ARG 46 HE ARG 46 4.900 9.773 -22.895 894 HH11 ARG 46 HH11 ARG 46 7.792 8.409 -21.466 895 HH12 ARG 46 HH12 ARG 46 7.019 6.940 -20.981 896 HH21 ARG 46 HH21 ARG 46 3.862 7.828 -22.244 897 HH22 ARG 46 HH22 ARG 46 4.770 6.608 -21.426 898 H ASN 47 HN ASN 47 6.826 16.448 -22.372 899 HA ASN 47 HA ASN 47 5.212 17.654 -21.353 900 HB2 ASN 47 HB2 ASN 47 3.385 15.670 -22.704 901 HB3 ASN 47 HB1 ASN 47 2.827 17.110 -21.855 902 HD21 ASN 47 HD21 ASN 47 3.098 16.030 -24.763 903 HD22 ASN 47 HD22 ASN 47 3.596 17.442 -25.627 904 H ARG 48 HN ARG 48 6.339 15.005 -20.293 905 HA ARG 48 HA ARG 48 4.340 14.278 -18.326 906 HB2 ARG 48 HB2 ARG 48 5.908 12.581 -19.270 907 HB3 ARG 48 HB1 ARG 48 7.241 13.434 -18.504 908 HG2 ARG 48 HG2 ARG 48 6.224 13.009 -16.306 909 HG3 ARG 48 HG1 ARG 48 4.936 12.101 -17.100 910 HD2 ARG 48 HD2 ARG 48 6.657 10.589 -18.038 911 HD3 ARG 48 HD1 ARG 48 7.877 11.453 -17.104 912 HE ARG 48 HE ARG 48 5.743 10.518 -15.470 913 HH11 ARG 48 HH11 ARG 48 8.713 9.535 -17.049 914 HH12 ARG 48 HH12 ARG 48 8.990 8.197 -15.995 915 HH21 ARG 48 HH21 ARG 48 6.087 8.741 -14.072 916 HH22 ARG 48 HH22 ARG 48 7.467 7.725 -14.301 917 H GLN 49 HN GLN 49 4.186 15.149 -16.363 918 HA GLN 49 HA GLN 49 6.079 17.281 -15.751 919 HB2 GLN 49 HB2 GLN 49 3.358 16.722 -14.594 920 HB3 GLN 49 HB1 GLN 49 4.366 18.122 -14.249 921 HG2 GLN 49 HG2 GLN 49 4.222 18.786 -16.606 922 HG3 GLN 49 HG1 GLN 49 3.166 17.408 -16.913 923 HE21 GLN 49 HE21 GLN 49 3.049 19.204 -13.965 924 HE22 GLN 49 HE22 GLN 49 1.523 19.978 -14.246 925 H VAL 50 HN VAL 50 7.002 17.533 -13.748 926 HA VAL 50 HA VAL 50 6.758 15.375 -11.797 927 HB VAL 50 HB VAL 50 8.664 14.790 -13.286 928 HG11 VAL 50 HG11 VAL 50 10.675 16.148 -13.307 929 HG12 VAL 50 HG12 VAL 50 9.837 17.381 -12.360 930 HG13 VAL 50 HG13 VAL 50 9.283 16.996 -13.990 931 HG21 VAL 50 HG21 VAL 50 8.740 14.088 -10.957 932 HG22 VAL 50 HG22 VAL 50 9.489 15.620 -10.508 933 HG23 VAL 50 HG23 VAL 50 10.359 14.481 -11.536 934 H CYS 51 HN CYS 51 6.974 16.107 -9.709 935 HA CYS 51 HA CYS 51 7.291 19.009 -9.403 936 HB2 CYS 51 HB2 CYS 51 5.988 16.909 -7.704 937 HB3 CYS 51 HB1 CYS 51 6.360 18.509 -7.075 938 H ALA 52 HN ALA 52 8.754 19.934 -8.068 939 HA ALA 52 HA ALA 52 10.336 18.307 -6.275 940 HB1 ALA 52 HB1 ALA 52 12.485 19.016 -7.196 941 HB2 ALA 52 HB2 ALA 52 11.654 19.838 -8.518 942 HB3 ALA 52 HB3 ALA 52 11.568 18.081 -8.379 943 H ASN 53 HN ASN 53 11.527 19.543 -4.793 944 HA ASN 53 HA ASN 53 10.346 22.139 -4.293 945 HB2 ASN 53 HB2 ASN 53 12.264 20.446 -2.691 946 HB3 ASN 53 HB1 ASN 53 11.685 22.020 -2.165 947 HD21 ASN 53 HD21 ASN 53 8.992 21.607 -3.213 948 HD22 ASN 53 HD22 ASN 53 8.237 20.485 -2.140 949 HA PRO 54 HA PRO 54 13.734 24.351 -6.196 950 HB2 PRO 54 HB2 PRO 54 13.100 26.808 -5.268 951 HB3 PRO 54 HB1 PRO 54 12.122 26.004 -6.505 952 HG2 PRO 54 HG2 PRO 54 11.711 26.072 -3.537 953 HG3 PRO 54 HG1 PRO 54 10.546 26.477 -4.821 954 HD2 PRO 54 HD2 PRO 54 10.494 24.090 -3.667 955 HD3 PRO 54 HD1 PRO 54 10.275 24.241 -5.426 956 H GLU 55 HN GLU 55 13.613 23.396 -3.137 957 HA GLU 55 HA GLU 55 15.437 25.256 -1.918 958 HB2 GLU 55 HB2 GLU 55 14.662 22.521 -0.925 959 HB3 GLU 55 HB1 GLU 55 15.268 23.875 0.016 960 HG2 GLU 55 HG2 GLU 55 13.229 25.088 -0.313 961 HG3 GLU 55 HG1 GLU 55 12.625 23.850 -1.413 962 H LYS 56 HN LYS 56 15.591 22.392 -3.794 963 HA LYS 56 HA LYS 56 18.255 21.694 -2.878 964 HB2 LYS 56 HB2 LYS 56 16.392 20.379 -4.857 965 HB3 LYS 56 HB1 LYS 56 18.017 19.797 -4.522 966 HG2 LYS 56 HG2 LYS 56 15.782 20.029 -2.508 967 HG3 LYS 56 HG1 LYS 56 16.329 18.541 -3.285 968 HD2 LYS 56 HD2 LYS 56 18.536 18.808 -2.256 969 HD3 LYS 56 HD1 LYS 56 18.011 20.310 -1.498 970 HE2 LYS 56 HE2 LYS 56 16.746 17.614 -1.003 971 HE3 LYS 56 HE1 LYS 56 17.982 18.335 0.024 972 HZ1 LYS 56 HZ1 LYS 56 15.775 18.720 0.911 973 HZ2 LYS 56 HZ2 LYS 56 15.289 19.477 -0.512 974 HZ3 LYS 56 HZ3 LYS 56 16.473 20.185 0.457 975 H LYS 57 HN LYS 57 20.084 21.795 -4.065 976 HA LYS 57 HA LYS 57 20.393 24.009 -5.707 977 HB2 LYS 57 HB2 LYS 57 22.270 23.215 -4.477 978 HB3 LYS 57 HB1 LYS 57 22.200 21.644 -5.263 979 HG2 LYS 57 HG2 LYS 57 22.836 22.653 -7.383 980 HG3 LYS 57 HG1 LYS 57 22.860 24.246 -6.630 981 HD2 LYS 57 HD2 LYS 57 24.685 23.593 -5.203 982 HD3 LYS 57 HD1 LYS 57 24.593 21.929 -5.785 983 HE2 LYS 57 HE2 LYS 57 26.431 23.131 -6.849 984 HE3 LYS 57 HE1 LYS 57 25.209 22.670 -8.027 985 HZ1 LYS 57 HZ1 LYS 57 24.391 24.897 -8.093 986 HZ2 LYS 57 HZ2 LYS 57 26.070 24.963 -8.283 987 HZ3 LYS 57 HZ3 LYS 57 25.375 25.367 -6.795 988 H TRP 58 HN TRP 58 20.073 20.586 -6.635 989 HA TRP 58 HA TRP 58 20.734 21.059 -9.344 990 HB2 TRP 58 HB2 TRP 58 19.278 18.814 -7.973 991 HB3 TRP 58 HB1 TRP 58 19.435 18.861 -9.728 992 HD1 TRP 58 HD1 TRP 58 21.171 17.555 -6.780 993 HE1 TRP 58 HE1 TRP 58 23.599 16.908 -7.346 994 HE3 TRP 58 HE3 TRP 58 21.604 19.887 -11.312 995 HZ2 TRP 58 HZ2 TRP 58 25.451 17.333 -9.433 996 HZ3 TRP 58 HZ3 TRP 58 23.736 19.719 -12.526 997 HH2 TRP 58 HH2 TRP 58 25.618 18.470 -11.605 998 H VAL 59 HN VAL 59 17.746 21.131 -7.577 999 HA VAL 59 HA VAL 59 16.014 21.448 -9.777 1000 HB VAL 59 HB VAL 59 15.702 22.517 -6.956 1001 HG11 VAL 59 HG11 VAL 59 13.653 22.012 -9.105 1002 HG12 VAL 59 HG12 VAL 59 14.175 23.586 -8.509 1003 HG13 VAL 59 HG13 VAL 59 13.296 22.486 -7.444 1004 HG21 VAL 59 HG21 VAL 59 14.407 20.484 -6.531 1005 HG22 VAL 59 HG22 VAL 59 16.070 20.105 -6.983 1006 HG23 VAL 59 HG23 VAL 59 14.770 19.911 -8.160 1007 H GLN 60 HN GLN 60 17.908 23.637 -7.822 1008 HA GLN 60 HA GLN 60 16.935 26.064 -8.902 1009 HB2 GLN 60 HB2 GLN 60 19.541 25.398 -7.534 1010 HB3 GLN 60 HB1 GLN 60 19.021 27.031 -7.930 1011 HG2 GLN 60 HG2 GLN 60 17.397 25.190 -6.218 1012 HG3 GLN 60 HG1 GLN 60 18.640 26.250 -5.562 1013 HE21 GLN 60 HE21 GLN 60 15.541 26.092 -7.118 1014 HE22 GLN 60 HE22 GLN 60 15.063 27.714 -6.765 1015 H GLU 61 HN GLU 61 19.628 23.932 -9.689 1016 HA GLU 61 HA GLU 61 20.805 25.548 -11.639 1017 HB2 GLU 61 HB2 GLU 61 20.712 22.536 -11.488 1018 HB3 GLU 61 HB1 GLU 61 21.833 23.481 -12.456 1019 HG2 GLU 61 HG2 GLU 61 21.656 23.511 -9.459 1020 HG3 GLU 61 HG1 GLU 61 22.846 22.631 -10.407 1021 H TYR 62 HN TYR 62 18.374 23.007 -11.830 1022 HA TYR 62 HA TYR 62 18.119 23.211 -14.658 1023 HB2 TYR 62 HB2 TYR 62 16.420 21.922 -12.539 1024 HB3 TYR 62 HB1 TYR 62 15.886 21.983 -14.217 1025 HD1 TYR 62 HD1 TYR 62 18.543 20.713 -11.976 1026 HD2 TYR 62 HD2 TYR 62 16.822 20.539 -15.852 1027 HE1 TYR 62 HE1 TYR 62 19.920 18.743 -12.488 1028 HE2 TYR 62 HE2 TYR 62 18.187 18.569 -16.374 1029 HH TYR 62 HH TYR 62 19.775 16.762 -14.095 1030 H ILE 63 HN ILE 63 16.427 24.702 -11.970 1031 HA ILE 63 HA ILE 63 14.442 26.022 -13.484 1032 HB ILE 63 HB ILE 63 15.737 26.711 -10.843 1033 HG12 ILE 63 HG12 ILE 63 12.933 25.799 -11.525 1034 HG13 ILE 63 HG11 ILE 63 14.217 24.760 -10.916 1035 HG21 ILE 63 HG21 ILE 63 13.483 28.196 -12.188 1036 HG22 ILE 63 HG22 ILE 63 15.110 28.806 -11.880 1037 HG23 ILE 63 HG23 ILE 63 14.033 28.445 -10.529 1038 HD11 ILE 63 HD11 ILE 63 12.707 25.361 -9.135 1039 HD12 ILE 63 HD12 ILE 63 12.958 27.075 -9.465 1040 HD13 ILE 63 HD13 ILE 63 14.287 26.091 -8.854 1041 H ASN 64 HN ASN 64 17.658 27.029 -12.434 1042 HA ASN 64 HA ASN 64 17.554 29.600 -13.562 1043 HB2 ASN 64 HB2 ASN 64 19.392 29.818 -12.312 1044 HB3 ASN 64 HB1 ASN 64 19.375 28.093 -11.994 1045 HD21 ASN 64 HD21 ASN 64 20.692 26.753 -13.210 1046 HD22 ASN 64 HD22 ASN 64 22.046 27.362 -14.096 1047 H TYR 65 HN TYR 65 18.567 26.499 -14.833 1048 HA TYR 65 HA TYR 65 19.647 27.617 -17.239 1049 HB2 TYR 65 HB2 TYR 65 18.979 24.807 -16.419 1050 HB3 TYR 65 HB1 TYR 65 19.514 25.197 -18.048 1051 HD1 TYR 65 HD1 TYR 65 20.730 23.649 -15.410 1052 HD2 TYR 65 HD2 TYR 65 21.590 27.211 -17.572 1053 HE1 TYR 65 HE1 TYR 65 23.060 23.554 -14.635 1054 HE2 TYR 65 HE2 TYR 65 23.917 27.123 -16.803 1055 HH TYR 65 HH TYR 65 25.261 24.383 -15.349 1056 H LEU 66 HN LEU 66 16.530 26.348 -16.281 1057 HA LEU 66 HA LEU 66 15.540 26.496 -18.977 1058 HB2 LEU 66 HB2 LEU 66 14.158 25.952 -16.363 1059 HB3 LEU 66 HB1 LEU 66 13.317 26.011 -17.901 1060 HG LEU 66 HG LEU 66 15.539 24.099 -17.220 1061 HD11 LEU 66 HD11 LEU 66 13.561 23.656 -15.896 1062 HD12 LEU 66 HD12 LEU 66 13.761 22.419 -17.136 1063 HD13 LEU 66 HD13 LEU 66 12.558 23.690 -17.345 1064 HD21 LEU 66 HD21 LEU 66 15.352 24.655 -19.618 1065 HD22 LEU 66 HD22 LEU 66 13.656 24.174 -19.580 1066 HD23 LEU 66 HD23 LEU 66 14.921 22.984 -19.279 1067 H GLU 67 HN GLU 67 15.540 28.624 -16.187 1068 HA GLU 67 HA GLU 67 13.541 30.389 -17.192 1069 HB2 GLU 67 HB2 GLU 67 14.221 31.934 -15.470 1070 HB3 GLU 67 HB1 GLU 67 14.244 30.313 -14.792 1071 HG2 GLU 67 HG2 GLU 67 16.663 30.235 -15.076 1072 HG3 GLU 67 HG1 GLU 67 16.631 31.860 -15.745 1073 H MET 68 HN MET 68 16.989 30.086 -17.658 1074 HA MET 68 HA MET 68 17.169 32.568 -19.117 1075 HB2 MET 68 HB2 MET 68 19.482 31.933 -19.591 1076 HB3 MET 68 HB1 MET 68 19.129 31.755 -17.880 1077 HG2 MET 68 HG2 MET 68 18.957 29.366 -18.115 1078 HG3 MET 68 HG1 MET 68 19.143 29.495 -19.864 1079 HE1 MET 68 HE1 MET 68 21.141 31.603 -17.179 1080 HE2 MET 68 HE2 MET 68 22.494 30.519 -16.856 1081 HE3 MET 68 HE3 MET 68 20.860 30.051 -16.389 1082 H SER 69 HN SER 69 16.282 29.363 -19.737 1083 HA SER 69 HA SER 69 15.676 28.202 -21.578 1084 HB2 SER 69 HB2 SER 69 14.148 30.180 -21.765 1085 HB3 SER 69 HB1 SER 69 15.323 30.929 -22.844 1086 HG SER 69 HG SER 69 13.495 28.945 -23.332 Start of MODEL 20 1 H1 MET 1 HT1 MET 1 0.990 -2.094 -9.903 2 HA MET 1 HA MET 1 3.247 -1.469 -9.483 3 HB2 MET 1 HB2 MET 1 2.505 -2.805 -11.546 4 HB3 MET 1 HB1 MET 1 2.735 -1.326 -12.460 5 HG2 MET 1 HG2 MET 1 4.903 -2.656 -10.850 6 HG3 MET 1 HG1 MET 1 4.625 -2.959 -12.560 7 HE1 MET 1 HE1 MET 1 7.925 -0.861 -12.576 8 HE2 MET 1 HE2 MET 1 7.138 -2.344 -13.115 9 HE3 MET 1 HE3 MET 1 7.434 -2.077 -11.397 10 H SER 2 HN SER 2 4.007 0.416 -8.705 11 HA SER 2 HA SER 2 4.478 2.560 -10.598 12 HB2 SER 2 HB2 SER 2 2.946 3.036 -8.028 13 HB3 SER 2 HB1 SER 2 3.518 4.293 -9.125 14 HG SER 2 HG SER 2 2.162 2.493 -10.535 15 HA PRO 3 HA PRO 3 8.068 2.241 -7.828 16 HB2 PRO 3 HB2 PRO 3 9.939 2.607 -9.711 17 HB3 PRO 3 HB1 PRO 3 9.118 1.052 -9.535 18 HG2 PRO 3 HG2 PRO 3 8.647 3.226 -11.531 19 HG3 PRO 3 HG1 PRO 3 8.645 1.469 -11.766 20 HD2 PRO 3 HD2 PRO 3 6.376 3.027 -11.456 21 HD3 PRO 3 HD1 PRO 3 6.454 1.282 -11.145 22 H TYR 4 HN TYR 4 9.426 3.903 -7.027 23 HA TYR 4 HA TYR 4 9.995 6.032 -6.464 24 HB2 TYR 4 HB2 TYR 4 9.444 6.551 -9.406 25 HB3 TYR 4 HB1 TYR 4 10.152 7.736 -8.319 26 HD1 TYR 4 HD1 TYR 4 10.716 4.540 -10.061 27 HD2 TYR 4 HD2 TYR 4 12.459 7.586 -7.655 28 HE1 TYR 4 HE1 TYR 4 12.951 3.641 -10.553 29 HE2 TYR 4 HE2 TYR 4 14.700 6.695 -8.143 30 HH TYR 4 HH TYR 4 15.275 4.422 -10.595 31 H GLY 5 HN GLY 5 8.801 8.508 -7.550 32 HA2 GLY 5 HA2 GLY 5 6.133 8.682 -7.759 33 HA3 GLY 5 HA1 GLY 5 6.343 8.387 -6.039 34 H SER 6 HN SER 6 5.368 10.428 -5.717 35 HA SER 6 HA SER 6 5.428 12.571 -5.070 36 HB2 SER 6 HB2 SER 6 8.404 12.413 -5.610 37 HB3 SER 6 HB1 SER 6 7.587 13.723 -4.755 38 HG SER 6 HG SER 6 7.938 11.033 -3.966 39 H ASP 7 HN ASP 7 4.154 12.765 -7.006 40 HA ASP 7 HA ASP 7 5.388 14.659 -8.868 41 HB2 ASP 7 HB2 ASP 7 4.398 13.643 -10.771 42 HB3 ASP 7 HB1 ASP 7 5.121 12.321 -9.867 43 H THR 8 HN THR 8 3.097 15.154 -10.369 44 HA THR 8 HA THR 8 1.838 17.160 -9.053 45 HB THR 8 HB THR 8 -0.131 16.579 -10.709 46 HG1 THR 8 HG1 THR 8 1.241 14.422 -10.994 47 HG21 THR 8 HG21 THR 8 1.146 17.658 -12.514 48 HG22 THR 8 HG22 THR 8 2.641 17.363 -11.626 49 HG23 THR 8 HG23 THR 8 1.422 18.453 -10.964 50 H THR 9 HN THR 9 0.823 17.119 -7.190 51 HA THR 9 HA THR 9 -0.872 14.838 -6.508 52 HB THR 9 HB THR 9 0.175 17.049 -4.720 53 HG1 THR 9 HG1 THR 9 1.694 15.412 -5.847 54 HG21 THR 9 HG21 THR 9 -0.965 14.323 -4.074 55 HG22 THR 9 HG22 THR 9 -1.800 15.861 -3.854 56 HG23 THR 9 HG23 THR 9 -0.359 15.495 -2.904 57 HA PRO 10 HA PRO 10 -4.350 17.559 -7.210 58 HB2 PRO 10 HB2 PRO 10 -6.291 15.926 -6.247 59 HB3 PRO 10 HB1 PRO 10 -5.534 15.693 -7.827 60 HG2 PRO 10 HG2 PRO 10 -5.013 14.278 -5.247 61 HG3 PRO 10 HG1 PRO 10 -5.076 13.623 -6.893 62 HD2 PRO 10 HD2 PRO 10 -2.748 14.177 -5.564 63 HD3 PRO 10 HD1 PRO 10 -2.899 14.194 -7.332 64 H CYS 11 HN CYS 11 -4.279 19.254 -5.873 65 HA CYS 11 HA CYS 11 -5.237 18.861 -3.118 66 HB2 CYS 11 HB2 CYS 11 -2.752 19.369 -3.300 67 HB3 CYS 11 HB1 CYS 11 -3.201 20.932 -3.967 68 H CYS 12 HN CYS 12 -6.336 20.796 -2.251 69 HA CYS 12 HA CYS 12 -7.027 22.941 -3.964 70 HB2 CYS 12 HB2 CYS 12 -9.437 22.386 -4.229 71 HB3 CYS 12 HB1 CYS 12 -8.375 21.297 -5.115 72 H PHE 13 HN PHE 13 -8.666 24.332 -3.025 73 HA PHE 13 HA PHE 13 -9.573 23.923 -0.336 74 HB2 PHE 13 HB2 PHE 13 -7.334 24.654 0.223 75 HB3 PHE 13 HB1 PHE 13 -7.421 25.986 -0.925 76 HD1 PHE 13 HD1 PHE 13 -8.991 24.683 2.183 77 HD2 PHE 13 HD2 PHE 13 -8.102 28.089 -0.204 78 HE1 PHE 13 HE1 PHE 13 -9.819 26.151 3.973 79 HE2 PHE 13 HE2 PHE 13 -8.931 29.561 1.581 80 HZ PHE 13 HZ PHE 13 -9.790 28.593 3.670 81 H ALA 14 HN ALA 14 -11.576 24.244 -1.224 82 HA ALA 14 HA ALA 14 -12.382 26.960 -1.581 83 HB1 ALA 14 HB1 ALA 14 -11.573 26.479 -3.842 84 HB2 ALA 14 HB2 ALA 14 -13.327 26.665 -3.825 85 HB3 ALA 14 HB3 ALA 14 -12.612 25.056 -3.916 86 H TYR 15 HN TYR 15 -14.736 27.081 -1.804 87 HA TYR 15 HA TYR 15 -16.249 24.686 -1.298 88 HB2 TYR 15 HB2 TYR 15 -17.193 25.529 0.847 89 HB3 TYR 15 HB1 TYR 15 -15.477 25.161 0.967 90 HD1 TYR 15 HD1 TYR 15 -17.987 27.840 0.945 91 HD2 TYR 15 HD2 TYR 15 -13.846 26.935 1.308 92 HE1 TYR 15 HE1 TYR 15 -17.572 30.103 1.803 93 HE2 TYR 15 HE2 TYR 15 -13.421 29.198 2.168 94 HH TYR 15 HH TYR 15 -15.934 31.293 3.146 95 H LEU 16 HN LEU 16 -18.604 25.246 -1.111 96 HA LEU 16 HA LEU 16 -19.176 27.803 -2.395 97 HB2 LEU 16 HB2 LEU 16 -20.185 25.081 -3.093 98 HB3 LEU 16 HB1 LEU 16 -21.133 26.506 -3.438 99 HG LEU 16 HG LEU 16 -18.775 27.207 -4.560 100 HD11 LEU 16 HD11 LEU 16 -19.022 24.230 -4.905 101 HD12 LEU 16 HD12 LEU 16 -17.726 25.081 -4.064 102 HD13 LEU 16 HD13 LEU 16 -17.930 25.282 -5.807 103 HD21 LEU 16 HD21 LEU 16 -20.992 27.338 -5.561 104 HD22 LEU 16 HD22 LEU 16 -20.967 25.598 -5.858 105 HD23 LEU 16 HD23 LEU 16 -19.818 26.652 -6.686 106 H SER 17 HN SER 17 -21.073 28.749 -1.904 107 HA SER 17 HA SER 17 -22.247 27.977 0.625 108 HB2 SER 17 HB2 SER 17 -22.737 30.326 -1.214 109 HB3 SER 17 HB1 SER 17 -23.429 30.145 0.404 110 HG SER 17 HG SER 17 -20.670 30.366 -0.270 111 H LEU 18 HN LEU 18 -22.845 28.002 -2.776 112 HA LEU 18 HA LEU 18 -25.470 26.748 -2.358 113 HB2 LEU 18 HB2 LEU 18 -24.566 28.255 -4.814 114 HB3 LEU 18 HB1 LEU 18 -26.173 27.644 -4.480 115 HG LEU 18 HG LEU 18 -24.818 29.891 -2.985 116 HD11 LEU 18 HD11 LEU 18 -27.028 29.942 -5.029 117 HD12 LEU 18 HD12 LEU 18 -25.381 30.534 -5.252 118 HD13 LEU 18 HD13 LEU 18 -26.454 31.325 -4.098 119 HD21 LEU 18 HD21 LEU 18 -27.023 30.244 -1.977 120 HD22 LEU 18 HD22 LEU 18 -26.363 28.660 -1.572 121 HD23 LEU 18 HD23 LEU 18 -27.626 28.803 -2.798 122 H ALA 19 HN ALA 19 -24.516 24.681 -2.242 123 HA ALA 19 HA ALA 19 -22.727 23.711 -4.240 124 HB1 ALA 19 HB1 ALA 19 -22.730 22.824 -1.955 125 HB2 ALA 19 HB2 ALA 19 -22.989 21.549 -3.146 126 HB3 ALA 19 HB3 ALA 19 -24.349 22.172 -2.212 127 H LEU 20 HN LEU 20 -23.142 22.029 -5.754 128 HA LEU 20 HA LEU 20 -25.619 22.378 -7.136 129 HB2 LEU 20 HB2 LEU 20 -24.638 20.682 -8.735 130 HB3 LEU 20 HB1 LEU 20 -23.722 22.157 -8.527 131 HG LEU 20 HG LEU 20 -22.297 20.779 -6.851 132 HD11 LEU 20 HD11 LEU 20 -22.180 18.393 -7.329 133 HD12 LEU 20 HD12 LEU 20 -23.559 18.538 -8.419 134 HD13 LEU 20 HD13 LEU 20 -23.762 18.844 -6.694 135 HD21 LEU 20 HD21 LEU 20 -22.205 20.232 -9.812 136 HD22 LEU 20 HD22 LEU 20 -20.881 19.967 -8.678 137 HD23 LEU 20 HD23 LEU 20 -21.472 21.602 -8.977 138 HA PRO 21 HA PRO 21 -28.042 19.146 -5.389 139 HB2 PRO 21 HB2 PRO 21 -29.376 18.268 -7.633 140 HB3 PRO 21 HB1 PRO 21 -29.805 19.720 -6.724 141 HG2 PRO 21 HG2 PRO 21 -28.199 19.459 -9.231 142 HG3 PRO 21 HG1 PRO 21 -29.433 20.661 -8.810 143 HD2 PRO 21 HD2 PRO 21 -26.819 21.229 -8.682 144 HD3 PRO 21 HD1 PRO 21 -27.969 21.886 -7.499 145 H ARG 22 HN ARG 22 -28.344 16.862 -5.306 146 HA ARG 22 HA ARG 22 -26.040 15.350 -5.840 147 HB2 ARG 22 HB2 ARG 22 -28.836 14.521 -5.101 148 HB3 ARG 22 HB1 ARG 22 -27.532 13.361 -5.304 149 HG2 ARG 22 HG2 ARG 22 -26.270 14.493 -3.528 150 HG3 ARG 22 HG1 ARG 22 -27.610 15.620 -3.314 151 HD2 ARG 22 HD2 ARG 22 -27.801 12.631 -3.013 152 HD3 ARG 22 HD1 ARG 22 -27.618 13.768 -1.677 153 HE ARG 22 HE ARG 22 -29.802 14.708 -2.899 154 HH11 ARG 22 HH11 ARG 22 -28.938 11.416 -2.038 155 HH12 ARG 22 HH12 ARG 22 -30.556 10.950 -1.640 156 HH21 ARG 22 HH21 ARG 22 -31.972 14.082 -2.372 157 HH22 ARG 22 HH22 ARG 22 -32.284 12.469 -1.841 158 H ALA 23 HN ALA 23 -28.943 15.833 -7.675 159 HA ALA 23 HA ALA 23 -28.653 13.703 -9.502 160 HB1 ALA 23 HB1 ALA 23 -30.177 14.948 -10.937 161 HB2 ALA 23 HB2 ALA 23 -29.928 16.397 -9.964 162 HB3 ALA 23 HB3 ALA 23 -30.724 14.990 -9.262 163 H HIS 24 HN HIS 24 -26.863 16.594 -9.122 164 HA HIS 24 HA HIS 24 -25.888 16.514 -11.857 165 HB2 HIS 24 HB2 HIS 24 -25.730 18.540 -9.656 166 HB3 HIS 24 HB1 HIS 24 -24.630 18.618 -11.026 167 HD1 HIS 24 HD1 HIS 24 -25.547 20.611 -12.290 168 HD2 HIS 24 HD2 HIS 24 -28.504 17.883 -11.235 169 HE1 HIS 24 HE1 HIS 24 -27.634 21.405 -13.428 170 H VAL 25 HN VAL 25 -25.040 15.471 -8.728 171 HA VAL 25 HA VAL 25 -22.218 15.272 -9.455 172 HB VAL 25 HB VAL 25 -23.058 16.140 -7.141 173 HG11 VAL 25 HG11 VAL 25 -23.411 14.509 -5.427 174 HG12 VAL 25 HG12 VAL 25 -23.109 13.190 -6.548 175 HG13 VAL 25 HG13 VAL 25 -24.556 14.188 -6.733 176 HG21 VAL 25 HG21 VAL 25 -21.068 15.256 -6.034 177 HG22 VAL 25 HG22 VAL 25 -20.720 15.770 -7.685 178 HG23 VAL 25 HG23 VAL 25 -20.890 14.055 -7.312 179 H LYS 26 HN LYS 26 -21.124 13.223 -9.200 180 HA LYS 26 HA LYS 26 -22.936 10.945 -9.592 181 HB2 LYS 26 HB2 LYS 26 -21.417 11.655 -11.521 182 HB3 LYS 26 HB1 LYS 26 -20.072 11.118 -10.530 183 HG2 LYS 26 HG2 LYS 26 -20.750 8.873 -10.625 184 HG3 LYS 26 HG1 LYS 26 -22.359 9.297 -11.212 185 HD2 LYS 26 HD2 LYS 26 -21.087 8.419 -13.054 186 HD3 LYS 26 HD1 LYS 26 -21.304 10.150 -13.305 187 HE2 LYS 26 HE2 LYS 26 -19.040 9.616 -13.854 188 HE3 LYS 26 HE1 LYS 26 -19.025 10.490 -12.327 189 HZ1 LYS 26 HZ1 LYS 26 -17.556 8.537 -12.348 190 HZ2 LYS 26 HZ2 LYS 26 -18.895 7.527 -12.550 191 HZ3 LYS 26 HZ3 LYS 26 -18.731 8.454 -11.140 192 H GLU 27 HN GLU 27 -19.872 11.997 -8.146 193 HA GLU 27 HA GLU 27 -20.399 10.454 -5.806 194 HB2 GLU 27 HB2 GLU 27 -18.335 9.104 -5.851 195 HB3 GLU 27 HB1 GLU 27 -19.461 8.655 -7.121 196 HG2 GLU 27 HG2 GLU 27 -17.340 10.599 -7.751 197 HG3 GLU 27 HG1 GLU 27 -16.889 8.903 -7.549 198 H TYR 28 HN TYR 28 -18.205 10.476 -4.438 199 HA TYR 28 HA TYR 28 -17.064 13.178 -4.644 200 HB2 TYR 28 HB2 TYR 28 -17.209 13.451 -2.244 201 HB3 TYR 28 HB1 TYR 28 -18.808 13.029 -2.843 202 HD1 TYR 28 HD1 TYR 28 -16.206 12.201 -0.538 203 HD2 TYR 28 HD2 TYR 28 -19.535 10.571 -2.628 204 HE1 TYR 28 HE1 TYR 28 -16.287 10.334 1.054 205 HE2 TYR 28 HE2 TYR 28 -19.624 8.701 -1.035 206 HH TYR 28 HH TYR 28 -17.993 7.530 0.487 207 H PHE 29 HN PHE 29 -15.058 13.306 -3.117 208 HA PHE 29 HA PHE 29 -13.610 10.871 -2.677 209 HB2 PHE 29 HB2 PHE 29 -13.422 11.219 -5.177 210 HB3 PHE 29 HB1 PHE 29 -12.585 12.727 -4.844 211 HD1 PHE 29 HD1 PHE 29 -12.375 9.149 -3.788 212 HD2 PHE 29 HD2 PHE 29 -10.302 12.657 -5.017 213 HE1 PHE 29 HE1 PHE 29 -10.247 7.917 -3.698 214 HE2 PHE 29 HE2 PHE 29 -8.170 11.431 -4.927 215 HZ PHE 29 HZ PHE 29 -8.141 9.058 -4.267 216 H TYR 30 HN TYR 30 -11.513 11.329 -1.648 217 HA TYR 30 HA TYR 30 -11.551 13.982 -0.394 218 HB2 TYR 30 HB2 TYR 30 -10.370 11.373 0.562 219 HB3 TYR 30 HB1 TYR 30 -10.152 12.914 1.386 220 HD1 TYR 30 HD1 TYR 30 -12.390 10.132 0.780 221 HD2 TYR 30 HD2 TYR 30 -12.114 14.060 2.384 222 HE1 TYR 30 HE1 TYR 30 -14.500 9.781 1.986 223 HE2 TYR 30 HE2 TYR 30 -14.222 13.721 3.595 224 HH TYR 30 HH TYR 30 -15.715 10.633 3.858 225 H THR 31 HN THR 31 -9.678 15.192 -0.190 226 HA THR 31 HA THR 31 -7.866 14.998 -2.346 227 HB THR 31 HB THR 31 -6.637 16.836 -1.093 228 HG1 THR 31 HG1 THR 31 -7.229 17.216 0.891 229 HG21 THR 31 HG21 THR 31 -8.338 17.238 -2.838 230 HG22 THR 31 HG22 THR 31 -8.326 18.489 -1.598 231 HG23 THR 31 HG23 THR 31 -9.584 17.251 -1.588 232 H SER 32 HN SER 32 -5.479 15.036 -2.046 233 HA SER 32 HA SER 32 -4.655 12.663 -0.776 234 HB2 SER 32 HB2 SER 32 -3.014 14.923 -1.928 235 HB3 SER 32 HB1 SER 32 -2.409 13.315 -1.526 236 HG SER 32 HG SER 32 -3.773 12.450 -3.084 237 H SER 33 HN SER 33 -3.516 12.315 1.065 238 HA SER 33 HA SER 33 -3.840 14.194 3.170 239 HB2 SER 33 HB2 SER 33 -3.930 11.714 3.454 240 HB3 SER 33 HB1 SER 33 -2.194 11.663 3.151 241 HG SER 33 HG SER 33 -2.695 13.493 5.036 242 H LYS 34 HN LYS 34 -1.556 13.875 0.754 243 HA LYS 34 HA LYS 34 0.816 14.685 2.025 244 HB2 LYS 34 HB2 LYS 34 -0.177 15.183 -0.788 245 HB3 LYS 34 HB1 LYS 34 1.451 15.553 -0.244 246 HG2 LYS 34 HG2 LYS 34 0.231 12.800 -0.208 247 HG3 LYS 34 HG1 LYS 34 1.260 13.425 -1.498 248 HD2 LYS 34 HD2 LYS 34 3.071 13.762 0.143 249 HD3 LYS 34 HD1 LYS 34 2.039 13.079 1.400 250 HE2 LYS 34 HE2 LYS 34 3.586 11.399 0.575 251 HE3 LYS 34 HE1 LYS 34 1.932 10.969 0.146 252 HZ1 LYS 34 HZ1 LYS 34 3.929 12.218 -1.663 253 HZ2 LYS 34 HZ2 LYS 34 2.334 11.852 -2.078 254 HZ3 LYS 34 HZ3 LYS 34 3.412 10.609 -1.707 255 H CYS 35 HN CYS 35 -2.060 16.349 1.086 256 HA CYS 35 HA CYS 35 -0.868 18.956 1.623 257 HB2 CYS 35 HB2 CYS 35 -3.651 18.271 0.646 258 HB3 CYS 35 HB1 CYS 35 -2.928 19.877 0.707 259 H SER 36 HN SER 36 -1.408 20.152 3.383 260 HA SER 36 HA SER 36 -2.352 18.774 5.648 261 HB2 SER 36 HB2 SER 36 -2.210 21.064 6.730 262 HB3 SER 36 HB1 SER 36 -0.726 20.472 5.984 263 HG SER 36 HG SER 36 -2.342 22.606 5.294 264 H ASN 37 HN ASN 37 -3.925 20.839 3.330 265 HA ASN 37 HA ASN 37 -6.286 21.122 4.987 266 HB2 ASN 37 HB2 ASN 37 -5.711 23.049 3.663 267 HB3 ASN 37 HB1 ASN 37 -5.690 22.088 2.187 268 HD21 ASN 37 HD21 ASN 37 -7.609 21.584 1.181 269 HD22 ASN 37 HD22 ASN 37 -9.127 22.247 1.663 270 H LEU 38 HN LEU 38 -7.850 19.692 5.048 271 HA LEU 38 HA LEU 38 -8.006 17.632 3.017 272 HB2 LEU 38 HB2 LEU 38 -8.223 17.012 5.380 273 HB3 LEU 38 HB1 LEU 38 -9.612 18.066 5.539 274 HG LEU 38 HG LEU 38 -10.816 16.631 3.881 275 HD11 LEU 38 HD11 LEU 38 -8.433 14.825 4.246 276 HD12 LEU 38 HD12 LEU 38 -8.907 15.647 2.760 277 HD13 LEU 38 HD13 LEU 38 -9.939 14.390 3.440 278 HD21 LEU 38 HD21 LEU 38 -11.178 16.379 6.280 279 HD22 LEU 38 HD22 LEU 38 -9.829 15.247 6.374 280 HD23 LEU 38 HD23 LEU 38 -11.274 14.822 5.459 281 H ALA 39 HN ALA 39 -9.419 17.635 1.392 282 HA ALA 39 HA ALA 39 -11.812 19.291 1.604 283 HB1 ALA 39 HB1 ALA 39 -10.154 20.649 0.420 284 HB2 ALA 39 HB2 ALA 39 -11.487 20.190 -0.640 285 HB3 ALA 39 HB3 ALA 39 -9.938 19.356 -0.758 286 H VAL 40 HN VAL 40 -13.389 18.743 -0.106 287 HA VAL 40 HA VAL 40 -13.160 15.901 -0.809 288 HB VAL 40 HB VAL 40 -15.725 17.414 -0.324 289 HG11 VAL 40 HG11 VAL 40 -16.734 15.197 -0.215 290 HG12 VAL 40 HG12 VAL 40 -15.170 14.471 -0.591 291 HG13 VAL 40 HG13 VAL 40 -15.976 15.499 -1.779 292 HG21 VAL 40 HG21 VAL 40 -14.370 17.262 1.738 293 HG22 VAL 40 HG22 VAL 40 -14.332 15.507 1.551 294 HG23 VAL 40 HG23 VAL 40 -15.864 16.334 1.834 295 H VAL 41 HN VAL 41 -13.260 15.444 -2.838 296 HA VAL 41 HA VAL 41 -13.828 17.576 -4.755 297 HB VAL 41 HB VAL 41 -12.471 14.917 -5.228 298 HG11 VAL 41 HG11 VAL 41 -11.749 15.921 -7.333 299 HG12 VAL 41 HG12 VAL 41 -12.669 17.378 -6.955 300 HG13 VAL 41 HG13 VAL 41 -13.508 15.850 -7.223 301 HG21 VAL 41 HG21 VAL 41 -11.247 17.649 -4.844 302 HG22 VAL 41 HG22 VAL 41 -10.374 16.185 -5.294 303 HG23 VAL 41 HG23 VAL 41 -11.147 16.300 -3.713 304 H PHE 42 HN PHE 42 -15.717 17.548 -5.712 305 HA PHE 42 HA PHE 42 -17.241 15.058 -5.729 306 HB2 PHE 42 HB2 PHE 42 -18.070 17.925 -6.118 307 HB3 PHE 42 HB1 PHE 42 -19.157 16.565 -6.371 308 HD1 PHE 42 HD1 PHE 42 -17.522 18.683 -3.957 309 HD2 PHE 42 HD2 PHE 42 -19.760 15.105 -4.471 310 HE1 PHE 42 HE1 PHE 42 -18.029 18.650 -1.546 311 HE2 PHE 42 HE2 PHE 42 -20.280 15.071 -2.073 312 HZ PHE 42 HZ PHE 42 -19.420 16.842 -0.607 313 H VAL 43 HN VAL 43 -17.627 13.978 -7.482 314 HA VAL 43 HA VAL 43 -16.664 15.060 -10.029 315 HB VAL 43 HB VAL 43 -17.427 12.220 -9.316 316 HG11 VAL 43 HG11 VAL 43 -17.584 12.707 -11.689 317 HG12 VAL 43 HG12 VAL 43 -16.258 11.601 -11.340 318 HG13 VAL 43 HG13 VAL 43 -15.919 13.302 -11.688 319 HG21 VAL 43 HG21 VAL 43 -14.694 13.486 -9.430 320 HG22 VAL 43 HG22 VAL 43 -15.014 11.765 -9.232 321 HG23 VAL 43 HG23 VAL 43 -15.521 12.906 -7.986 322 H THR 44 HN THR 44 -18.189 15.899 -11.306 323 HA THR 44 HA THR 44 -20.973 15.473 -10.802 324 HB THR 44 HB THR 44 -21.370 16.881 -12.792 325 HG1 THR 44 HG1 THR 44 -18.586 17.230 -13.010 326 HG21 THR 44 HG21 THR 44 -19.204 17.945 -10.981 327 HG22 THR 44 HG22 THR 44 -20.933 17.953 -10.626 328 HG23 THR 44 HG23 THR 44 -20.299 18.917 -11.962 329 H ARG 45 HN ARG 45 -22.455 15.005 -12.762 330 HA ARG 45 HA ARG 45 -21.991 12.347 -13.601 331 HB2 ARG 45 HB2 ARG 45 -23.976 14.362 -14.678 332 HB3 ARG 45 HB1 ARG 45 -24.001 12.644 -15.028 333 HG2 ARG 45 HG2 ARG 45 -24.382 13.897 -12.312 334 HG3 ARG 45 HG1 ARG 45 -25.656 13.248 -13.343 335 HD2 ARG 45 HD2 ARG 45 -23.387 11.707 -12.085 336 HD3 ARG 45 HD1 ARG 45 -25.083 11.650 -11.619 337 HE ARG 45 HE ARG 45 -24.627 10.932 -14.365 338 HH11 ARG 45 HH11 ARG 45 -24.796 9.742 -11.067 339 HH12 ARG 45 HH12 ARG 45 -25.005 8.093 -11.537 340 HH21 ARG 45 HH21 ARG 45 -24.917 8.740 -14.987 341 HH22 ARG 45 HH22 ARG 45 -25.080 7.521 -13.772 342 H ARG 46 HN ARG 46 -21.037 15.356 -14.898 343 HA ARG 46 HA ARG 46 -20.474 14.260 -17.542 344 HB2 ARG 46 HB2 ARG 46 -20.320 17.018 -16.348 345 HB3 ARG 46 HB1 ARG 46 -19.471 16.652 -17.839 346 HG2 ARG 46 HG2 ARG 46 -21.521 17.636 -18.449 347 HG3 ARG 46 HG1 ARG 46 -21.678 15.915 -18.786 348 HD2 ARG 46 HD2 ARG 46 -22.886 15.633 -16.662 349 HD3 ARG 46 HD1 ARG 46 -22.756 17.368 -16.374 350 HE ARG 46 HE ARG 46 -23.994 16.589 -18.870 351 HH11 ARG 46 HH11 ARG 46 -24.496 17.556 -15.540 352 HH12 ARG 46 HH12 ARG 46 -26.147 18.001 -15.779 353 HH21 ARG 46 HH21 ARG 46 -26.189 17.202 -19.200 354 HH22 ARG 46 HH22 ARG 46 -27.113 17.813 -17.875 355 H ASN 47 HN ASN 47 -19.120 13.779 -14.749 356 HA ASN 47 HA ASN 47 -17.100 13.143 -13.992 357 HB2 ASN 47 HB2 ASN 47 -16.442 13.225 -16.928 358 HB3 ASN 47 HB1 ASN 47 -15.226 12.820 -15.722 359 HD21 ASN 47 HD21 ASN 47 -18.108 11.805 -17.334 360 HD22 ASN 47 HD22 ASN 47 -18.096 10.171 -16.774 361 H ARG 48 HN ARG 48 -17.861 16.060 -14.609 362 HA ARG 48 HA ARG 48 -15.230 17.303 -14.594 363 HB2 ARG 48 HB2 ARG 48 -17.098 18.411 -15.797 364 HB3 ARG 48 HB1 ARG 48 -17.976 18.554 -14.280 365 HG2 ARG 48 HG2 ARG 48 -16.172 19.978 -13.396 366 HG3 ARG 48 HG1 ARG 48 -15.353 19.874 -14.953 367 HD2 ARG 48 HD2 ARG 48 -17.263 20.937 -16.038 368 HD3 ARG 48 HD1 ARG 48 -18.109 21.010 -14.492 369 HE ARG 48 HE ARG 48 -15.512 22.322 -14.646 370 HH11 ARG 48 HH11 ARG 48 -19.009 22.680 -14.707 371 HH12 ARG 48 HH12 ARG 48 -18.964 24.367 -14.310 372 HH21 ARG 48 HH21 ARG 48 -15.461 24.552 -14.147 373 HH22 ARG 48 HH22 ARG 48 -16.941 25.436 -13.991 374 H GLN 49 HN GLN 49 -14.165 17.763 -12.784 375 HA GLN 49 HA GLN 49 -15.480 17.048 -10.291 376 HB2 GLN 49 HB2 GLN 49 -12.563 17.573 -10.842 377 HB3 GLN 49 HB1 GLN 49 -13.249 16.959 -9.345 378 HG2 GLN 49 HG2 GLN 49 -14.006 14.961 -10.460 379 HG3 GLN 49 HG1 GLN 49 -13.428 15.574 -12.004 380 HE21 GLN 49 HE21 GLN 49 -11.690 16.061 -9.054 381 HE22 GLN 49 HE22 GLN 49 -10.376 14.995 -9.418 382 H VAL 50 HN VAL 50 -15.140 18.252 -8.378 383 HA VAL 50 HA VAL 50 -14.434 21.064 -8.584 384 HB VAL 50 HB VAL 50 -16.911 20.867 -9.077 385 HG11 VAL 50 HG11 VAL 50 -17.401 18.952 -7.725 386 HG12 VAL 50 HG12 VAL 50 -18.438 20.312 -7.278 387 HG13 VAL 50 HG13 VAL 50 -17.064 19.872 -6.259 388 HG21 VAL 50 HG21 VAL 50 -16.177 22.295 -6.527 389 HG22 VAL 50 HG22 VAL 50 -17.608 22.622 -7.506 390 HG23 VAL 50 HG23 VAL 50 -15.999 22.931 -8.162 391 H CYS 51 HN CYS 51 -13.947 21.936 -6.458 392 HA CYS 51 HA CYS 51 -13.667 19.823 -4.431 393 HB2 CYS 51 HB2 CYS 51 -11.901 22.202 -4.963 394 HB3 CYS 51 HB1 CYS 51 -11.735 21.132 -3.575 395 H ALA 52 HN ALA 52 -14.443 20.121 -2.465 396 HA ALA 52 HA ALA 52 -15.161 22.808 -1.580 397 HB1 ALA 52 HB1 ALA 52 -17.362 22.062 -0.819 398 HB2 ALA 52 HB2 ALA 52 -17.071 20.472 -1.522 399 HB3 ALA 52 HB3 ALA 52 -17.202 21.886 -2.566 400 H ASN 53 HN ASN 53 -14.924 23.107 0.593 401 HA ASN 53 HA ASN 53 -13.363 21.173 1.996 402 HB2 ASN 53 HB2 ASN 53 -14.634 23.706 3.077 403 HB3 ASN 53 HB1 ASN 53 -13.375 22.770 3.867 404 HD21 ASN 53 HD21 ASN 53 -11.243 22.749 2.871 405 HD22 ASN 53 HD22 ASN 53 -10.763 24.071 1.881 406 HA PRO 54 HA PRO 54 -16.611 18.771 3.750 407 HB2 PRO 54 HB2 PRO 54 -15.330 17.707 5.880 408 HB3 PRO 54 HB1 PRO 54 -14.969 17.228 4.215 409 HG2 PRO 54 HG2 PRO 54 -13.546 19.211 5.958 410 HG3 PRO 54 HG1 PRO 54 -12.856 17.902 4.975 411 HD2 PRO 54 HD2 PRO 54 -12.876 20.437 4.106 412 HD3 PRO 54 HD1 PRO 54 -13.143 19.076 2.996 413 H GLU 55 HN GLU 55 -15.567 21.594 5.151 414 HA GLU 55 HA GLU 55 -16.870 21.275 7.689 415 HB2 GLU 55 HB2 GLU 55 -15.761 23.736 6.345 416 HB3 GLU 55 HB1 GLU 55 -16.406 23.697 7.980 417 HG2 GLU 55 HG2 GLU 55 -14.673 21.907 8.457 418 HG3 GLU 55 HG1 GLU 55 -13.944 22.361 6.918 419 H LYS 56 HN LYS 56 -17.994 21.699 4.639 420 HA LYS 56 HA LYS 56 -20.278 23.335 5.424 421 HB2 LYS 56 HB2 LYS 56 -19.391 22.206 2.775 422 HB3 LYS 56 HB1 LYS 56 -20.954 22.978 2.991 423 HG2 LYS 56 HG2 LYS 56 -18.262 24.264 3.420 424 HG3 LYS 56 HG1 LYS 56 -19.334 24.519 2.040 425 HD2 LYS 56 HD2 LYS 56 -21.068 25.353 3.621 426 HD3 LYS 56 HD1 LYS 56 -19.884 25.228 4.921 427 HE2 LYS 56 HE2 LYS 56 -18.416 26.778 3.631 428 HE3 LYS 56 HE1 LYS 56 -19.736 26.987 2.481 429 HZ1 LYS 56 HZ1 LYS 56 -19.848 27.630 5.372 430 HZ2 LYS 56 HZ2 LYS 56 -21.115 27.839 4.275 431 HZ3 LYS 56 HZ3 LYS 56 -19.706 28.757 4.124 432 H LYS 57 HN LYS 57 -22.256 22.558 5.827 433 HA LYS 57 HA LYS 57 -22.612 19.862 6.495 434 HB2 LYS 57 HB2 LYS 57 -23.952 21.758 7.409 435 HB3 LYS 57 HB1 LYS 57 -24.781 21.870 5.863 436 HG2 LYS 57 HG2 LYS 57 -25.655 19.605 6.160 437 HG3 LYS 57 HG1 LYS 57 -24.816 19.484 7.706 438 HD2 LYS 57 HD2 LYS 57 -27.101 20.032 8.159 439 HD3 LYS 57 HD1 LYS 57 -26.132 21.469 8.480 440 HE2 LYS 57 HE2 LYS 57 -28.140 22.094 7.291 441 HE3 LYS 57 HE1 LYS 57 -26.741 22.342 6.250 442 HZ1 LYS 57 HZ1 LYS 57 -27.250 20.244 5.144 443 HZ2 LYS 57 HZ2 LYS 57 -28.555 21.303 5.055 444 HZ3 LYS 57 HZ3 LYS 57 -28.591 20.022 6.148 445 H TRP 58 HN TRP 58 -23.299 21.631 3.553 446 HA TRP 58 HA TRP 58 -24.885 19.742 2.230 447 HB2 TRP 58 HB2 TRP 58 -22.912 21.763 1.148 448 HB3 TRP 58 HB1 TRP 58 -23.963 20.794 0.122 449 HD1 TRP 58 HD1 TRP 58 -24.103 23.640 2.700 450 HE1 TRP 58 HE1 TRP 58 -26.331 24.890 2.408 451 HE3 TRP 58 HE3 TRP 58 -26.312 20.566 -0.733 452 HZ2 TRP 58 HZ2 TRP 58 -28.712 24.610 0.918 453 HZ3 TRP 58 HZ3 TRP 58 -28.566 21.129 -1.542 454 HH2 TRP 58 HH2 TRP 58 -29.739 23.109 -0.732 455 H VAL 59 HN VAL 59 -21.423 20.081 2.546 456 HA VAL 59 HA VAL 59 -20.719 18.053 0.704 457 HB VAL 59 HB VAL 59 -19.159 19.152 3.064 458 HG11 VAL 59 HG11 VAL 59 -18.288 16.981 2.396 459 HG12 VAL 59 HG12 VAL 59 -17.172 18.266 1.929 460 HG13 VAL 59 HG13 VAL 59 -18.203 17.516 0.719 461 HG21 VAL 59 HG21 VAL 59 -19.762 20.835 1.373 462 HG22 VAL 59 HG22 VAL 59 -18.997 19.846 0.131 463 HG23 VAL 59 HG23 VAL 59 -18.022 20.545 1.424 464 H GLN 60 HN GLN 60 -21.299 18.127 4.160 465 HA GLN 60 HA GLN 60 -20.566 15.460 4.739 466 HB2 GLN 60 HB2 GLN 60 -22.589 17.218 6.139 467 HB3 GLN 60 HB1 GLN 60 -21.843 15.776 6.807 468 HG2 GLN 60 HG2 GLN 60 -20.343 18.254 6.011 469 HG3 GLN 60 HG1 GLN 60 -20.890 17.901 7.646 470 HE21 GLN 60 HE21 GLN 60 -18.638 17.120 5.148 471 HE22 GLN 60 HE22 GLN 60 -17.586 16.151 6.117 472 H GLU 61 HN GLU 61 -23.617 17.002 3.912 473 HA GLU 61 HA GLU 61 -25.211 14.699 4.168 474 HB2 GLU 61 HB2 GLU 61 -25.640 17.171 2.504 475 HB3 GLU 61 HB1 GLU 61 -26.835 15.914 2.823 476 HG2 GLU 61 HG2 GLU 61 -25.493 17.353 5.064 477 HG3 GLU 61 HG1 GLU 61 -26.887 18.047 4.245 478 H TYR 62 HN TYR 62 -23.540 16.164 1.452 479 HA TYR 62 HA TYR 62 -24.552 14.290 -0.413 480 HB2 TYR 62 HB2 TYR 62 -22.363 16.325 -0.508 481 HB3 TYR 62 HB1 TYR 62 -22.509 15.130 -1.796 482 HD1 TYR 62 HD1 TYR 62 -24.931 17.210 0.156 483 HD2 TYR 62 HD2 TYR 62 -23.547 15.982 -3.668 484 HE1 TYR 62 HE1 TYR 62 -26.688 18.553 -0.894 485 HE2 TYR 62 HE2 TYR 62 -25.302 17.332 -4.734 486 HH TYR 62 HH TYR 62 -26.955 19.701 -3.231 487 H ILE 63 HN ILE 63 -21.727 14.371 1.653 488 HA ILE 63 HA ILE 63 -20.460 12.135 0.478 489 HB ILE 63 HB ILE 63 -20.289 13.332 3.246 490 HG12 ILE 63 HG12 ILE 63 -18.286 13.168 0.986 491 HG13 ILE 63 HG11 ILE 63 -19.260 14.580 1.384 492 HG21 ILE 63 HG21 ILE 63 -18.712 10.976 2.206 493 HG22 ILE 63 HG22 ILE 63 -19.910 10.938 3.499 494 HG23 ILE 63 HG23 ILE 63 -18.403 11.829 3.718 495 HD11 ILE 63 HD11 ILE 63 -18.146 14.760 3.533 496 HD12 ILE 63 HD12 ILE 63 -16.974 14.766 2.214 497 HD13 ILE 63 HD13 ILE 63 -17.205 13.310 3.179 498 H ASN 64 HN ASN 64 -22.670 12.451 3.231 499 HA ASN 64 HA ASN 64 -22.695 9.680 3.766 500 HB2 ASN 64 HB2 ASN 64 -24.013 10.188 5.564 501 HB3 ASN 64 HB1 ASN 64 -23.383 11.787 5.192 502 HD21 ASN 64 HD21 ASN 64 -24.693 13.339 4.854 503 HD22 ASN 64 HD22 ASN 64 -26.411 13.228 4.668 504 H TYR 65 HN TYR 65 -24.617 11.712 1.708 505 HA TYR 65 HA TYR 65 -26.570 9.675 1.200 506 HB2 TYR 65 HB2 TYR 65 -26.089 12.406 0.084 507 HB3 TYR 65 HB1 TYR 65 -27.162 11.300 -0.760 508 HD1 TYR 65 HD1 TYR 65 -27.322 14.014 1.196 509 HD2 TYR 65 HD2 TYR 65 -28.677 9.984 1.262 510 HE1 TYR 65 HE1 TYR 65 -29.170 14.664 2.681 511 HE2 TYR 65 HE2 TYR 65 -30.524 10.621 2.744 512 HH TYR 65 HH TYR 65 -31.057 12.409 4.355 513 H LEU 66 HN LEU 66 -23.654 10.817 -0.437 514 HA LEU 66 HA LEU 66 -24.188 9.170 -2.734 515 HB2 LEU 66 HB2 LEU 66 -21.707 10.686 -1.926 516 HB3 LEU 66 HB1 LEU 66 -21.858 9.781 -3.416 517 HG LEU 66 HG LEU 66 -23.557 12.143 -2.642 518 HD11 LEU 66 HD11 LEU 66 -21.249 11.938 -4.569 519 HD12 LEU 66 HD12 LEU 66 -21.231 12.766 -3.013 520 HD13 LEU 66 HD13 LEU 66 -22.263 13.356 -4.313 521 HD21 LEU 66 HD21 LEU 66 -24.706 10.589 -4.135 522 HD22 LEU 66 HD22 LEU 66 -23.327 10.611 -5.233 523 HD23 LEU 66 HD23 LEU 66 -24.278 12.074 -4.983 524 H GLU 67 HN GLU 67 -22.355 8.824 0.243 525 HA GLU 67 HA GLU 67 -20.894 6.536 -0.562 526 HB2 GLU 67 HB2 GLU 67 -20.336 6.229 1.750 527 HB3 GLU 67 HB1 GLU 67 -20.355 7.959 1.432 528 HG2 GLU 67 HG2 GLU 67 -22.503 8.176 2.487 529 HG3 GLU 67 HG1 GLU 67 -22.601 6.433 2.719 530 H MET 68 HN MET 68 -24.110 6.989 0.729 531 HA MET 68 HA MET 68 -24.521 4.150 1.100 532 HB2 MET 68 HB2 MET 68 -26.767 4.723 1.808 533 HB3 MET 68 HB1 MET 68 -25.611 5.769 2.615 534 HG2 MET 68 HG2 MET 68 -26.153 7.586 1.098 535 HG3 MET 68 HG1 MET 68 -27.259 6.531 0.212 536 HE1 MET 68 HE1 MET 68 -28.530 4.925 2.821 537 HE2 MET 68 HE2 MET 68 -29.406 5.411 1.371 538 HE3 MET 68 HE3 MET 68 -30.015 5.866 2.962 539 H SER 69 HN SER 69 -24.856 6.457 -1.382 540 HA SER 69 HA SER 69 -25.621 6.404 -3.514 541 HB2 SER 69 HB2 SER 69 -23.986 4.510 -3.562 542 HB3 SER 69 HB1 SER 69 -25.312 3.403 -3.217 543 HG SER 69 HG SER 69 -25.069 5.088 -5.499 544 H1 MET 1 HT1 MET 1 -17.305 28.899 -22.196 545 HA MET 1 HA MET 1 -19.290 27.756 -21.461 546 HB2 MET 1 HB2 MET 1 -17.055 26.179 -22.701 547 HB3 MET 1 HB1 MET 1 -18.654 25.481 -22.489 548 HG2 MET 1 HG2 MET 1 -18.043 27.989 -24.028 549 HG3 MET 1 HG1 MET 1 -18.306 26.396 -24.736 550 HE1 MET 1 HE1 MET 1 -21.581 28.203 -25.789 551 HE2 MET 1 HE2 MET 1 -20.190 27.257 -26.318 552 HE3 MET 1 HE3 MET 1 -19.964 28.900 -25.721 553 H SER 2 HN SER 2 -17.073 27.692 -19.229 554 HA SER 2 HA SER 2 -18.179 25.302 -17.924 555 HB2 SER 2 HB2 SER 2 -15.413 26.476 -17.556 556 HB3 SER 2 HB1 SER 2 -16.060 25.073 -16.705 557 HG SER 2 HG SER 2 -16.259 24.918 -19.435 558 HA PRO 3 HA PRO 3 -19.582 28.829 -15.340 559 HB2 PRO 3 HB2 PRO 3 -21.537 26.805 -14.449 560 HB3 PRO 3 HB1 PRO 3 -21.826 28.414 -15.119 561 HG2 PRO 3 HG2 PRO 3 -22.362 26.191 -16.526 562 HG3 PRO 3 HG1 PRO 3 -21.753 27.664 -17.304 563 HD2 PRO 3 HD2 PRO 3 -20.279 25.165 -16.559 564 HD3 PRO 3 HD1 PRO 3 -20.156 26.149 -18.034 565 H TYR 4 HN TYR 4 -18.955 29.196 -13.269 566 HA TYR 4 HA TYR 4 -18.034 28.895 -11.224 567 HB2 TYR 4 HB2 TYR 4 -19.396 26.192 -11.409 568 HB3 TYR 4 HB1 TYR 4 -18.610 26.800 -9.956 569 HD1 TYR 4 HD1 TYR 4 -21.521 27.104 -12.157 570 HD2 TYR 4 HD2 TYR 4 -19.609 28.612 -8.669 571 HE1 TYR 4 HE1 TYR 4 -23.605 28.240 -11.513 572 HE2 TYR 4 HE2 TYR 4 -21.687 29.748 -8.015 573 HH TYR 4 HH TYR 4 -24.681 29.102 -9.481 574 H GLY 5 HN GLY 5 -16.739 26.784 -9.983 575 HA2 GLY 5 HA2 GLY 5 -15.103 25.204 -11.551 576 HA3 GLY 5 HA1 GLY 5 -14.303 26.765 -11.427 577 H SER 6 HN SER 6 -12.626 26.243 -10.166 578 HA SER 6 HA SER 6 -11.443 25.886 -8.290 579 HB2 SER 6 HB2 SER 6 -14.109 25.926 -6.857 580 HB3 SER 6 HB1 SER 6 -12.521 26.072 -6.102 581 HG SER 6 HG SER 6 -13.883 28.053 -6.728 582 H ASP 7 HN ASP 7 -10.895 23.867 -9.198 583 HA ASP 7 HA ASP 7 -12.051 21.605 -7.731 584 HB2 ASP 7 HB2 ASP 7 -12.132 20.231 -9.658 585 HB3 ASP 7 HB1 ASP 7 -12.863 21.754 -10.138 586 H THR 8 HN THR 8 -10.490 19.620 -8.699 587 HA THR 8 HA THR 8 -8.285 19.540 -7.150 588 HB THR 8 HB THR 8 -7.395 17.899 -8.970 589 HG1 THR 8 HG1 THR 8 -9.343 19.043 -10.316 590 HG21 THR 8 HG21 THR 8 -10.060 17.470 -7.614 591 HG22 THR 8 HG22 THR 8 -8.475 17.228 -6.872 592 HG23 THR 8 HG23 THR 8 -8.990 16.201 -8.211 593 H THR 9 HN THR 9 -6.545 20.738 -7.042 594 HA THR 9 HA THR 9 -5.509 21.958 -9.491 595 HB THR 9 HB THR 9 -5.036 22.755 -6.610 596 HG1 THR 9 HG1 THR 9 -7.251 23.004 -7.618 597 HG21 THR 9 HG21 THR 9 -4.469 24.238 -9.182 598 HG22 THR 9 HG22 THR 9 -3.257 23.412 -8.202 599 HG23 THR 9 HG23 THR 9 -4.126 24.796 -7.545 600 HA PRO 10 HA PRO 10 -2.047 19.164 -8.997 601 HB2 PRO 10 HB2 PRO 10 -0.422 20.355 -10.849 602 HB3 PRO 10 HB1 PRO 10 -1.727 19.240 -11.268 603 HG2 PRO 10 HG2 PRO 10 -1.673 22.224 -11.360 604 HG3 PRO 10 HG1 PRO 10 -2.416 21.079 -12.490 605 HD2 PRO 10 HD2 PRO 10 -3.833 22.461 -10.631 606 HD3 PRO 10 HD1 PRO 10 -4.309 20.852 -11.209 607 H CYS 11 HN CYS 11 -1.065 19.478 -7.101 608 HA CYS 11 HA CYS 11 0.806 21.731 -6.878 609 HB2 CYS 11 HB2 CYS 11 -1.360 21.987 -5.514 610 HB3 CYS 11 HB1 CYS 11 -0.776 20.640 -4.547 611 H CYS 12 HN CYS 12 2.483 21.226 -5.129 612 HA CYS 12 HA CYS 12 2.852 18.574 -4.265 613 HB2 CYS 12 HB2 CYS 12 4.820 17.996 -5.683 614 HB3 CYS 12 HB1 CYS 12 3.297 18.038 -6.563 615 H PHE 13 HN PHE 13 4.924 18.215 -3.270 616 HA PHE 13 HA PHE 13 6.769 20.376 -2.858 617 HB2 PHE 13 HB2 PHE 13 4.990 21.007 -1.253 618 HB3 PHE 13 HB1 PHE 13 5.049 19.400 -0.542 619 HD1 PHE 13 HD1 PHE 13 6.937 22.538 -1.006 620 HD2 PHE 13 HD2 PHE 13 6.659 18.862 1.118 621 HE1 PHE 13 HE1 PHE 13 8.640 23.328 0.580 622 HE2 PHE 13 HE2 PHE 13 8.365 19.646 2.706 623 HZ PHE 13 HZ PHE 13 9.358 21.884 2.438 624 H ALA 14 HN ALA 14 8.174 18.817 -3.719 625 HA ALA 14 HA ALA 14 9.270 17.004 -1.808 626 HB1 ALA 14 HB1 ALA 14 8.985 14.973 -3.147 627 HB2 ALA 14 HB2 ALA 14 7.995 15.868 -4.300 628 HB3 ALA 14 HB3 ALA 14 7.424 15.625 -2.650 629 H TYR 15 HN TYR 15 11.235 16.027 -2.643 630 HA TYR 15 HA TYR 15 12.229 17.026 -5.154 631 HB2 TYR 15 HB2 TYR 15 14.251 18.055 -4.103 632 HB3 TYR 15 HB1 TYR 15 12.760 18.923 -3.762 633 HD1 TYR 15 HD1 TYR 15 15.380 16.768 -2.334 634 HD2 TYR 15 HD2 TYR 15 11.905 19.080 -1.513 635 HE1 TYR 15 HE1 TYR 15 15.875 16.649 0.071 636 HE2 TYR 15 HE2 TYR 15 12.389 18.967 0.894 637 HH TYR 15 HH TYR 15 15.360 17.983 2.119 638 H LEU 16 HN LEU 16 14.502 16.237 -5.498 639 HA LEU 16 HA LEU 16 14.989 13.718 -4.094 640 HB2 LEU 16 HB2 LEU 16 14.582 14.208 -6.983 641 HB3 LEU 16 HB1 LEU 16 15.870 13.109 -6.536 642 HG LEU 16 HG LEU 16 13.158 12.728 -5.381 643 HD11 LEU 16 HD11 LEU 16 14.048 11.752 -8.104 644 HD12 LEU 16 HD12 LEU 16 12.781 12.941 -7.800 645 HD13 LEU 16 HD13 LEU 16 12.566 11.270 -7.277 646 HD21 LEU 16 HD21 LEU 16 14.963 11.402 -4.499 647 HD22 LEU 16 HD22 LEU 16 15.399 10.865 -6.120 648 HD23 LEU 16 HD23 LEU 16 13.861 10.373 -5.411 649 H SER 17 HN SER 17 17.115 12.974 -4.252 650 HA SER 17 HA SER 17 19.004 15.195 -4.273 651 HB2 SER 17 HB2 SER 17 19.241 12.349 -3.291 652 HB3 SER 17 HB1 SER 17 20.537 13.545 -3.189 653 HG SER 17 HG SER 17 17.949 13.861 -2.051 654 H LEU 18 HN LEU 18 18.201 12.260 -5.926 655 HA LEU 18 HA LEU 18 20.360 12.757 -7.853 656 HB2 LEU 18 HB2 LEU 18 18.872 10.183 -7.333 657 HB3 LEU 18 HB1 LEU 18 20.210 10.405 -8.444 658 HG LEU 18 HG LEU 18 20.390 10.679 -5.447 659 HD11 LEU 18 HD11 LEU 18 21.300 8.463 -7.267 660 HD12 LEU 18 HD12 LEU 18 19.991 8.386 -6.086 661 HD13 LEU 18 HD13 LEU 18 21.657 8.592 -5.545 662 HD21 LEU 18 HD21 LEU 18 21.989 12.091 -6.591 663 HD22 LEU 18 HD22 LEU 18 22.516 10.732 -7.585 664 HD23 LEU 18 HD23 LEU 18 22.812 10.722 -5.846 665 H ALA 19 HN ALA 19 19.353 14.095 -9.250 666 HA ALA 19 HA ALA 19 16.626 13.671 -10.068 667 HB1 ALA 19 HB1 ALA 19 18.668 15.641 -11.090 668 HB2 ALA 19 HB2 ALA 19 17.517 15.936 -9.787 669 HB3 ALA 19 HB3 ALA 19 16.938 15.665 -11.432 670 H LEU 20 HN LEU 20 15.960 13.384 -12.248 671 HA LEU 20 HA LEU 20 17.434 11.371 -13.613 672 HB2 LEU 20 HB2 LEU 20 15.569 11.558 -15.304 673 HB3 LEU 20 HB1 LEU 20 15.076 11.163 -13.673 674 HG LEU 20 HG LEU 20 14.592 13.712 -13.454 675 HD11 LEU 20 HD11 LEU 20 14.525 13.408 -16.450 676 HD12 LEU 20 HD12 LEU 20 15.644 14.412 -15.528 677 HD13 LEU 20 HD13 LEU 20 13.921 14.790 -15.533 678 HD21 LEU 20 HD21 LEU 20 12.879 11.897 -15.141 679 HD22 LEU 20 HD22 LEU 20 12.331 13.369 -14.339 680 HD23 LEU 20 HD23 LEU 20 12.887 11.997 -13.380 681 HA PRO 21 HA PRO 21 19.794 13.828 -16.395 682 HB2 PRO 21 HB2 PRO 21 19.377 12.052 -18.648 683 HB3 PRO 21 HB1 PRO 21 20.809 12.241 -17.637 684 HG2 PRO 21 HG2 PRO 21 19.222 10.016 -17.638 685 HG3 PRO 21 HG1 PRO 21 20.221 10.520 -16.265 686 HD2 PRO 21 HD2 PRO 21 17.289 10.826 -16.704 687 HD3 PRO 21 HD1 PRO 21 18.181 10.487 -15.208 688 H ARG 22 HN ARG 22 19.757 15.243 -18.154 689 HA ARG 22 HA ARG 22 17.284 16.391 -18.830 690 HB2 ARG 22 HB2 ARG 22 20.024 16.694 -20.043 691 HB3 ARG 22 HB1 ARG 22 18.637 17.596 -20.627 692 HG2 ARG 22 HG2 ARG 22 18.411 18.763 -18.590 693 HG3 ARG 22 HG1 ARG 22 19.515 17.667 -17.757 694 HD2 ARG 22 HD2 ARG 22 20.304 19.452 -20.045 695 HD3 ARG 22 HD1 ARG 22 20.505 19.877 -18.345 696 HE ARG 22 HE ARG 22 21.784 17.562 -18.419 697 HH11 ARG 22 HH11 ARG 22 21.920 20.198 -20.732 698 HH12 ARG 22 HH12 ARG 22 23.577 19.918 -21.130 699 HH21 ARG 22 HH21 ARG 22 23.956 17.180 -18.968 700 HH22 ARG 22 HH22 ARG 22 24.746 18.184 -20.131 701 H ALA 23 HN ALA 23 19.175 13.927 -20.392 702 HA ALA 23 HA ALA 23 17.899 14.002 -22.915 703 HB1 ALA 23 HB1 ALA 23 18.904 11.827 -23.290 704 HB2 ALA 23 HB2 ALA 23 19.244 11.662 -21.568 705 HB3 ALA 23 HB3 ALA 23 20.065 12.904 -22.513 706 H HIS 24 HN HIS 24 16.863 12.881 -19.856 707 HA HIS 24 HA HIS 24 14.825 11.175 -21.057 708 HB2 HIS 24 HB2 HIS 24 16.080 11.320 -18.361 709 HB3 HIS 24 HB1 HIS 24 14.437 10.710 -18.489 710 HD1 HIS 24 HD1 HIS 24 15.592 8.431 -17.614 711 HD2 HIS 24 HD2 HIS 24 16.606 9.643 -21.457 712 HE1 HIS 24 HE1 HIS 24 16.559 6.401 -18.722 713 H VAL 25 HN VAL 25 15.197 14.332 -20.003 714 HA VAL 25 HA VAL 25 12.429 14.515 -19.089 715 HB VAL 25 HB VAL 25 14.379 15.653 -17.833 716 HG11 VAL 25 HG11 VAL 25 14.011 17.723 -19.987 717 HG12 VAL 25 HG12 VAL 25 15.425 16.686 -19.807 718 HG13 VAL 25 HG13 VAL 25 15.027 17.863 -18.555 719 HG21 VAL 25 HG21 VAL 25 12.052 16.053 -17.292 720 HG22 VAL 25 HG22 VAL 25 11.936 17.253 -18.579 721 HG23 VAL 25 HG23 VAL 25 12.973 17.554 -17.184 722 H LYS 26 HN LYS 26 10.938 15.902 -20.053 723 HA LYS 26 HA LYS 26 11.503 16.454 -22.879 724 HB2 LYS 26 HB2 LYS 26 9.652 14.886 -22.430 725 HB3 LYS 26 HB1 LYS 26 8.864 16.100 -21.441 726 HG2 LYS 26 HG2 LYS 26 8.330 17.431 -23.301 727 HG3 LYS 26 HG1 LYS 26 9.460 16.567 -24.345 728 HD2 LYS 26 HD2 LYS 26 7.193 15.889 -24.868 729 HD3 LYS 26 HD1 LYS 26 8.060 14.540 -24.139 730 HE2 LYS 26 HE2 LYS 26 5.912 14.549 -23.150 731 HE3 LYS 26 HE1 LYS 26 7.002 15.218 -21.940 732 HZ1 LYS 26 HZ1 LYS 26 5.267 16.814 -23.741 733 HZ2 LYS 26 HZ2 LYS 26 6.235 17.444 -22.515 734 HZ3 LYS 26 HZ3 LYS 26 4.914 16.459 -22.134 735 H GLU 27 HN GLU 27 10.269 17.837 -19.895 736 HA GLU 27 HA GLU 27 10.985 20.478 -20.609 737 HB2 GLU 27 HB2 GLU 27 8.764 21.472 -20.783 738 HB3 GLU 27 HB1 GLU 27 8.983 20.262 -22.041 739 HG2 GLU 27 HG2 GLU 27 7.763 18.652 -20.585 740 HG3 GLU 27 HG1 GLU 27 7.403 20.001 -19.505 741 H TYR 28 HN TYR 28 9.904 22.043 -18.962 742 HA TYR 28 HA TYR 28 9.468 20.669 -16.414 743 HB2 TYR 28 HB2 TYR 28 10.751 22.331 -15.229 744 HB3 TYR 28 HB1 TYR 28 11.753 21.712 -16.532 745 HD1 TYR 28 HD1 TYR 28 10.128 24.624 -15.112 746 HD2 TYR 28 HD2 TYR 28 12.183 23.152 -18.538 747 HE1 TYR 28 HE1 TYR 28 10.547 26.928 -15.844 748 HE2 TYR 28 HE2 TYR 28 12.607 25.463 -19.278 749 HH TYR 28 HH TYR 28 12.159 28.136 -17.247 750 H PHE 29 HN PHE 29 8.356 22.221 -14.804 751 HA PHE 29 HA PHE 29 6.673 24.221 -16.037 752 HB2 PHE 29 HB2 PHE 29 5.571 22.076 -16.672 753 HB3 PHE 29 HB1 PHE 29 5.439 21.666 -14.971 754 HD1 PHE 29 HD1 PHE 29 4.646 24.661 -17.066 755 HD2 PHE 29 HD2 PHE 29 3.308 21.852 -14.161 756 HE1 PHE 29 HE1 PHE 29 2.464 25.792 -16.983 757 HE2 PHE 29 HE2 PHE 29 1.124 22.980 -14.071 758 HZ PHE 29 HZ PHE 29 0.699 24.952 -15.483 759 H TYR 30 HN TYR 30 5.423 25.380 -14.461 760 HA TYR 30 HA TYR 30 6.518 25.100 -11.754 761 HB2 TYR 30 HB2 TYR 30 5.096 27.453 -13.019 762 HB3 TYR 30 HB1 TYR 30 5.818 27.425 -11.416 763 HD1 TYR 30 HD1 TYR 30 6.412 27.804 -14.968 764 HD2 TYR 30 HD2 TYR 30 8.289 27.337 -11.180 765 HE1 TYR 30 HE1 TYR 30 8.530 28.583 -15.930 766 HE2 TYR 30 HE2 TYR 30 10.417 28.119 -12.134 767 HH TYR 30 HH TYR 30 10.614 29.584 -15.211 768 H THR 31 HN THR 31 5.157 24.993 -9.984 769 HA THR 31 HA THR 31 2.671 23.743 -10.343 770 HB THR 31 HB THR 31 2.394 24.293 -7.851 771 HG1 THR 31 HG1 THR 31 3.792 26.093 -7.801 772 HG21 THR 31 HG21 THR 31 3.276 22.161 -8.728 773 HG22 THR 31 HG22 THR 31 4.033 22.630 -7.208 774 HG23 THR 31 HG23 THR 31 4.898 22.856 -8.729 775 H SER 32 HN SER 32 0.570 24.489 -9.743 776 HA SER 32 HA SER 32 -0.180 26.889 -10.939 777 HB2 SER 32 HB2 SER 32 -1.737 25.349 -8.856 778 HB3 SER 32 HB1 SER 32 -2.391 26.427 -10.088 779 HG SER 32 HG SER 32 -1.576 23.811 -10.280 780 H SER 33 HN SER 33 -0.838 28.874 -10.134 781 HA SER 33 HA SER 33 0.569 29.880 -7.897 782 HB2 SER 33 HB2 SER 33 -0.065 31.194 -9.937 783 HB3 SER 33 HB1 SER 33 -1.732 31.179 -9.364 784 HG SER 33 HG SER 33 -1.093 32.350 -7.561 785 H LYS 34 HN LYS 34 -2.450 28.329 -8.216 786 HA LYS 34 HA LYS 34 -3.861 29.366 -6.014 787 HB2 LYS 34 HB2 LYS 34 -3.838 26.616 -7.237 788 HB3 LYS 34 HB1 LYS 34 -4.952 27.084 -5.964 789 HG2 LYS 34 HG2 LYS 34 -4.774 28.298 -8.713 790 HG3 LYS 34 HG1 LYS 34 -6.009 27.176 -8.142 791 HD2 LYS 34 HD2 LYS 34 -6.465 28.918 -6.316 792 HD3 LYS 34 HD1 LYS 34 -5.526 30.019 -7.322 793 HE2 LYS 34 HE2 LYS 34 -7.892 30.259 -7.800 794 HE3 LYS 34 HE1 LYS 34 -7.050 29.590 -9.197 795 HZ1 LYS 34 HZ1 LYS 34 -8.522 27.961 -7.206 796 HZ2 LYS 34 HZ2 LYS 34 -7.866 27.417 -8.669 797 HZ3 LYS 34 HZ3 LYS 34 -9.180 28.480 -8.669 798 H CYS 35 HN CYS 35 -1.173 27.225 -6.263 799 HA CYS 35 HA CYS 35 -1.371 26.183 -3.589 800 HB2 CYS 35 HB2 CYS 35 0.939 26.059 -5.532 801 HB3 CYS 35 HB1 CYS 35 0.697 25.040 -4.119 802 H SER 36 HN SER 36 -0.067 26.743 -1.855 803 HA SER 36 HA SER 36 0.913 29.450 -1.861 804 HB2 SER 36 HB2 SER 36 1.078 27.362 0.322 805 HB3 SER 36 HB1 SER 36 1.272 29.105 0.512 806 HG SER 36 HG SER 36 -0.861 28.183 1.041 807 H ASN 37 HN ASN 37 2.190 26.263 -2.149 808 HA ASN 37 HA ASN 37 4.936 27.230 -1.856 809 HB2 ASN 37 HB2 ASN 37 4.440 25.230 -0.576 810 HB3 ASN 37 HB1 ASN 37 3.809 24.425 -2.008 811 HD21 ASN 37 HD21 ASN 37 5.205 23.463 -3.426 812 HD22 ASN 37 HD22 ASN 37 6.907 23.369 -3.163 813 H LEU 38 HN LEU 38 6.378 27.183 -3.520 814 HA LEU 38 HA LEU 38 5.249 26.651 -6.166 815 HB2 LEU 38 HB2 LEU 38 6.103 28.920 -5.822 816 HB3 LEU 38 HB1 LEU 38 7.663 28.273 -5.358 817 HG LEU 38 HG LEU 38 7.943 27.361 -7.643 818 HD11 LEU 38 HD11 LEU 38 5.390 28.850 -8.213 819 HD12 LEU 38 HD12 LEU 38 5.612 27.100 -8.257 820 HD13 LEU 38 HD13 LEU 38 6.448 28.126 -9.423 821 HD21 LEU 38 HD21 LEU 38 8.894 29.517 -7.075 822 HD22 LEU 38 HD22 LEU 38 7.378 30.316 -7.493 823 HD23 LEU 38 HD23 LEU 38 8.328 29.513 -8.745 824 H ALA 39 HN ALA 39 5.917 24.967 -7.254 825 HA ALA 39 HA ALA 39 8.550 23.836 -6.671 826 HB1 ALA 39 HB1 ALA 39 7.623 21.568 -6.773 827 HB2 ALA 39 HB2 ALA 39 6.000 22.245 -6.925 828 HB3 ALA 39 HB3 ALA 39 6.924 22.494 -5.444 829 H VAL 40 HN VAL 40 9.184 22.263 -8.429 830 HA VAL 40 HA VAL 40 8.159 23.234 -11.006 831 HB VAL 40 HB VAL 40 10.951 22.218 -10.480 832 HG11 VAL 40 HG11 VAL 40 11.464 23.186 -12.655 833 HG12 VAL 40 HG12 VAL 40 9.770 23.638 -12.849 834 HG13 VAL 40 HG13 VAL 40 10.226 21.934 -12.768 835 HG21 VAL 40 HG21 VAL 40 10.062 25.078 -10.805 836 HG22 VAL 40 HG22 VAL 40 11.715 24.513 -10.549 837 HG23 VAL 40 HG23 VAL 40 10.513 24.333 -9.272 838 H VAL 41 HN VAL 41 7.349 21.781 -12.260 839 HA VAL 41 HA VAL 41 7.592 18.960 -11.507 840 HB VAL 41 HB VAL 41 5.520 20.223 -13.308 841 HG11 VAL 41 HG11 VAL 41 4.284 18.144 -12.908 842 HG12 VAL 41 HG12 VAL 41 5.646 17.524 -11.975 843 HG13 VAL 41 HG13 VAL 41 5.834 17.854 -13.698 844 HG21 VAL 41 HG21 VAL 41 5.302 19.522 -10.380 845 HG22 VAL 41 HG22 VAL 41 3.975 20.062 -11.409 846 HG23 VAL 41 HG23 VAL 41 5.320 21.149 -11.061 847 H PHE 42 HN PHE 42 8.861 17.768 -12.715 848 HA PHE 42 HA PHE 42 9.579 18.721 -15.382 849 HB2 PHE 42 HB2 PHE 42 10.826 16.658 -13.577 850 HB3 PHE 42 HB1 PHE 42 11.351 16.938 -15.233 851 HD1 PHE 42 HD1 PHE 42 11.413 18.123 -11.829 852 HD2 PHE 42 HD2 PHE 42 12.332 19.116 -15.861 853 HE1 PHE 42 HE1 PHE 42 12.846 19.965 -11.048 854 HE2 PHE 42 HE2 PHE 42 13.774 20.948 -15.092 855 HZ PHE 42 HZ PHE 42 14.038 21.377 -12.688 856 H VAL 43 HN VAL 43 8.890 17.815 -17.129 857 HA VAL 43 HA VAL 43 7.265 15.393 -16.893 858 HB VAL 43 HB VAL 43 7.493 17.305 -19.222 859 HG11 VAL 43 HG11 VAL 43 6.732 15.054 -19.798 860 HG12 VAL 43 HG12 VAL 43 5.475 16.266 -20.031 861 HG13 VAL 43 HG13 VAL 43 5.423 15.203 -18.622 862 HG21 VAL 43 HG21 VAL 43 5.323 18.212 -18.498 863 HG22 VAL 43 HG22 VAL 43 6.592 18.492 -17.307 864 HG23 VAL 43 HG23 VAL 43 5.406 17.216 -17.046 865 H THR 44 HN THR 44 8.234 13.567 -17.438 866 HA THR 44 HA THR 44 10.792 13.519 -18.723 867 HB THR 44 HB THR 44 10.600 11.069 -18.603 868 HG1 THR 44 HG1 THR 44 8.032 11.496 -17.464 869 HG21 THR 44 HG21 THR 44 9.585 12.414 -16.101 870 HG22 THR 44 HG22 THR 44 11.279 12.315 -16.587 871 HG23 THR 44 HG23 THR 44 10.386 10.846 -16.183 872 H ARG 45 HN ARG 45 11.150 11.937 -20.606 873 HA ARG 45 HA ARG 45 9.684 12.839 -22.853 874 HB2 ARG 45 HB2 ARG 45 11.546 10.469 -22.605 875 HB3 ARG 45 HB1 ARG 45 10.931 11.101 -24.122 876 HG2 ARG 45 HG2 ARG 45 12.761 12.507 -22.192 877 HG3 ARG 45 HG1 ARG 45 13.183 11.855 -23.775 878 HD2 ARG 45 HD2 ARG 45 11.358 14.173 -23.167 879 HD3 ARG 45 HD1 ARG 45 12.918 14.229 -23.975 880 HE ARG 45 HE ARG 45 10.675 12.767 -25.195 881 HH11 ARG 45 HH11 ARG 45 13.051 15.350 -25.340 882 HH12 ARG 45 HH12 ARG 45 12.671 15.772 -26.970 883 HH21 ARG 45 HH21 ARG 45 10.166 13.346 -27.347 884 HH22 ARG 45 HH22 ARG 45 11.035 14.624 -28.122 885 H ARG 46 HN ARG 46 9.169 10.303 -20.624 886 HA ARG 46 HA ARG 46 7.404 8.789 -22.358 887 HB2 ARG 46 HB2 ARG 46 8.251 8.490 -19.476 888 HB3 ARG 46 HB1 ARG 46 6.958 7.522 -20.158 889 HG2 ARG 46 HG2 ARG 46 8.993 6.247 -20.165 890 HG3 ARG 46 HG1 ARG 46 8.555 6.630 -21.827 891 HD2 ARG 46 HD2 ARG 46 10.226 8.320 -21.956 892 HD3 ARG 46 HD1 ARG 46 10.526 8.242 -20.224 893 HE ARG 46 HE ARG 46 11.264 5.850 -20.756 894 HH11 ARG 46 HH11 ARG 46 11.620 8.474 -23.055 895 HH12 ARG 46 HH12 ARG 46 13.128 7.900 -23.674 896 HH21 ARG 46 HH21 ARG 46 13.238 5.060 -21.618 897 HH22 ARG 46 HH22 ARG 46 14.040 5.940 -22.871 898 H ASN 47 HN ASN 47 7.122 11.660 -21.062 899 HA ASN 47 HA ASN 47 5.436 13.068 -20.583 900 HB2 ASN 47 HB2 ASN 47 3.675 10.709 -21.227 901 HB3 ASN 47 HB1 ASN 47 3.067 12.333 -20.914 902 HD21 ASN 47 HD21 ASN 47 4.603 10.229 -23.148 903 HD22 ASN 47 HD22 ASN 47 4.614 11.309 -24.497 904 H ARG 48 HN ARG 48 6.512 10.832 -18.688 905 HA ARG 48 HA ARG 48 4.464 10.884 -16.622 906 HB2 ARG 48 HB2 ARG 48 5.942 8.876 -17.066 907 HB3 ARG 48 HB1 ARG 48 7.292 9.818 -16.451 908 HG2 ARG 48 HG2 ARG 48 6.166 10.012 -14.289 909 HG3 ARG 48 HG1 ARG 48 4.824 9.049 -14.910 910 HD2 ARG 48 HD2 ARG 48 6.429 7.207 -15.357 911 HD3 ARG 48 HD1 ARG 48 7.687 8.169 -14.583 912 HE ARG 48 HE ARG 48 5.307 7.683 -13.003 913 HH11 ARG 48 HH11 ARG 48 8.579 6.670 -13.753 914 HH12 ARG 48 HH12 ARG 48 8.782 5.785 -12.288 915 HH21 ARG 48 HH21 ARG 48 5.551 6.529 -11.089 916 HH22 ARG 48 HH22 ARG 48 7.040 5.716 -10.732 917 H GLN 49 HN GLN 49 4.637 12.120 -14.737 918 HA GLN 49 HA GLN 49 6.610 14.269 -15.014 919 HB2 GLN 49 HB2 GLN 49 3.909 14.367 -13.691 920 HB3 GLN 49 HB1 GLN 49 5.021 15.717 -13.895 921 HG2 GLN 49 HG2 GLN 49 4.837 15.477 -16.333 922 HG3 GLN 49 HG1 GLN 49 3.684 14.170 -16.104 923 HE21 GLN 49 HE21 GLN 49 3.779 16.978 -14.071 924 HE22 GLN 49 HE22 GLN 49 2.289 17.665 -14.621 925 H VAL 50 HN VAL 50 7.423 15.276 -13.137 926 HA VAL 50 HA VAL 50 7.280 13.784 -10.632 927 HB VAL 50 HB VAL 50 9.262 12.953 -11.963 928 HG11 VAL 50 HG11 VAL 50 9.821 14.967 -13.124 929 HG12 VAL 50 HG12 VAL 50 11.211 14.376 -12.209 930 HG13 VAL 50 HG13 VAL 50 10.273 15.746 -11.609 931 HG21 VAL 50 HG21 VAL 50 9.901 14.411 -9.402 932 HG22 VAL 50 HG22 VAL 50 10.877 13.129 -10.119 933 HG23 VAL 50 HG23 VAL 50 9.250 12.777 -9.534 934 H CYS 51 HN CYS 51 7.668 15.125 -8.819 935 HA CYS 51 HA CYS 51 7.798 17.977 -9.494 936 HB2 CYS 51 HB2 CYS 51 6.524 16.578 -7.153 937 HB3 CYS 51 HB1 CYS 51 6.707 18.325 -7.270 938 H ALA 52 HN ALA 52 9.359 19.202 -8.729 939 HA ALA 52 HA ALA 52 10.923 18.284 -6.446 940 HB1 ALA 52 HB1 ALA 52 13.028 18.770 -7.579 941 HB2 ALA 52 HB2 ALA 52 12.153 19.161 -9.059 942 HB3 ALA 52 HB3 ALA 52 12.133 17.513 -8.433 943 H ASN 53 HN ASN 53 11.741 19.929 -5.213 944 HA ASN 53 HA ASN 53 10.488 22.483 -5.586 945 HB2 ASN 53 HB2 ASN 53 12.462 21.568 -3.476 946 HB3 ASN 53 HB1 ASN 53 11.620 23.112 -3.461 947 HD21 ASN 53 HD21 ASN 53 9.351 23.123 -3.075 948 HD22 ASN 53 HD22 ASN 53 8.586 21.784 -2.299 949 HA PRO 54 HA PRO 54 13.702 24.400 -7.943 950 HB2 PRO 54 HB2 PRO 54 13.175 26.996 -7.304 951 HB3 PRO 54 HB1 PRO 54 12.192 26.055 -8.437 952 HG2 PRO 54 HG2 PRO 54 11.736 26.585 -5.523 953 HG3 PRO 54 HG1 PRO 54 10.582 26.711 -6.869 954 HD2 PRO 54 HD2 PRO 54 10.592 24.573 -5.283 955 HD3 PRO 54 HD1 PRO 54 10.349 24.403 -7.035 956 H GLU 55 HN GLU 55 13.748 24.130 -4.654 957 HA GLU 55 HA GLU 55 15.827 26.006 -4.069 958 HB2 GLU 55 HB2 GLU 55 14.735 23.683 -2.486 959 HB3 GLU 55 HB1 GLU 55 15.943 24.808 -1.883 960 HG2 GLU 55 HG2 GLU 55 13.129 25.481 -2.702 961 HG3 GLU 55 HG1 GLU 55 13.753 25.379 -1.057 962 H LYS 56 HN LYS 56 15.765 23.158 -5.713 963 HA LYS 56 HA LYS 56 18.450 22.324 -4.903 964 HB2 LYS 56 HB2 LYS 56 16.381 21.059 -6.696 965 HB3 LYS 56 HB1 LYS 56 18.018 20.436 -6.549 966 HG2 LYS 56 HG2 LYS 56 16.055 20.714 -4.281 967 HG3 LYS 56 HG1 LYS 56 16.403 19.220 -5.155 968 HD2 LYS 56 HD2 LYS 56 18.747 19.365 -4.452 969 HD3 LYS 56 HD1 LYS 56 18.390 20.848 -3.569 970 HE2 LYS 56 HE2 LYS 56 16.790 19.595 -2.176 971 HE3 LYS 56 HE1 LYS 56 17.235 18.118 -3.031 972 HZ1 LYS 56 HZ1 LYS 56 19.050 19.806 -1.402 973 HZ2 LYS 56 HZ2 LYS 56 19.514 18.425 -2.255 974 HZ3 LYS 56 HZ3 LYS 56 18.436 18.296 -0.961 975 H LYS 57 HN LYS 57 20.221 22.604 -6.148 976 HA LYS 57 HA LYS 57 20.164 24.606 -8.134 977 HB2 LYS 57 HB2 LYS 57 22.147 24.039 -6.696 978 HB3 LYS 57 HB1 LYS 57 22.381 22.604 -7.687 979 HG2 LYS 57 HG2 LYS 57 22.558 24.121 -9.678 980 HG3 LYS 57 HG1 LYS 57 22.569 25.478 -8.554 981 HD2 LYS 57 HD2 LYS 57 24.836 24.956 -9.125 982 HD3 LYS 57 HD1 LYS 57 24.563 24.457 -7.454 983 HE2 LYS 57 HE2 LYS 57 24.384 22.164 -8.090 984 HE3 LYS 57 HE1 LYS 57 24.353 22.580 -9.802 985 HZ1 LYS 57 HZ1 LYS 57 26.518 21.758 -9.135 986 HZ2 LYS 57 HZ2 LYS 57 26.652 22.969 -7.966 987 HZ3 LYS 57 HZ3 LYS 57 26.626 23.377 -9.601 988 H TRP 58 HN TRP 58 20.114 21.109 -8.280 989 HA TRP 58 HA TRP 58 20.684 20.747 -10.998 990 HB2 TRP 58 HB2 TRP 58 18.894 19.133 -9.168 991 HB3 TRP 58 HB1 TRP 58 19.393 18.615 -10.773 992 HD1 TRP 58 HD1 TRP 58 20.481 18.577 -7.204 993 HE1 TRP 58 HE1 TRP 58 22.827 17.522 -7.012 994 HE3 TRP 58 HE3 TRP 58 21.753 18.517 -12.154 995 HZ2 TRP 58 HZ2 TRP 58 24.925 16.766 -8.729 996 HZ3 TRP 58 HZ3 TRP 58 23.948 17.612 -12.794 997 HH2 TRP 58 HH2 TRP 58 25.498 16.756 -11.118 998 H VAL 59 HN VAL 59 17.741 21.537 -9.305 999 HA VAL 59 HA VAL 59 15.974 21.270 -11.496 1000 HB VAL 59 HB VAL 59 15.733 22.963 -8.987 1001 HG11 VAL 59 HG11 VAL 59 14.280 23.806 -10.761 1002 HG12 VAL 59 HG12 VAL 59 13.343 23.068 -9.462 1003 HG13 VAL 59 HG13 VAL 59 13.596 22.196 -10.970 1004 HG21 VAL 59 HG21 VAL 59 14.302 21.163 -8.153 1005 HG22 VAL 59 HG22 VAL 59 15.903 20.544 -8.569 1006 HG23 VAL 59 HG23 VAL 59 14.544 20.268 -9.653 1007 H GLN 60 HN GLN 60 17.837 23.928 -10.166 1008 HA GLN 60 HA GLN 60 16.823 25.963 -11.854 1009 HB2 GLN 60 HB2 GLN 60 19.562 25.854 -10.582 1010 HB3 GLN 60 HB1 GLN 60 18.691 27.291 -11.093 1011 HG2 GLN 60 HG2 GLN 60 17.837 25.450 -8.873 1012 HG3 GLN 60 HG1 GLN 60 18.696 26.969 -8.654 1013 HE21 GLN 60 HE21 GLN 60 15.688 25.474 -9.486 1014 HE22 GLN 60 HE22 GLN 60 14.718 26.895 -9.349 1015 H GLU 61 HN GLU 61 19.597 23.808 -12.019 1016 HA GLU 61 HA GLU 61 20.735 24.859 -14.357 1017 HB2 GLU 61 HB2 GLU 61 20.862 22.116 -13.116 1018 HB3 GLU 61 HB1 GLU 61 21.820 22.594 -14.511 1019 HG2 GLU 61 HG2 GLU 61 21.900 24.134 -11.953 1020 HG3 GLU 61 HG1 GLU 61 22.899 22.707 -12.203 1021 H TYR 62 HN TYR 62 18.435 22.249 -13.782 1022 HA TYR 62 HA TYR 62 18.272 21.511 -16.515 1023 HB2 TYR 62 HB2 TYR 62 16.685 20.862 -14.075 1024 HB3 TYR 62 HB1 TYR 62 15.983 20.506 -15.653 1025 HD1 TYR 62 HD1 TYR 62 19.433 20.218 -14.228 1026 HD2 TYR 62 HD2 TYR 62 16.190 18.267 -16.171 1027 HE1 TYR 62 HE1 TYR 62 20.774 18.169 -14.389 1028 HE2 TYR 62 HE2 TYR 62 17.522 16.212 -16.330 1029 HH TYR 62 HH TYR 62 20.331 15.686 -14.614 1030 H ILE 63 HN ILE 63 16.448 23.724 -14.508 1031 HA ILE 63 HA ILE 63 14.488 24.391 -16.422 1032 HB ILE 63 HB ILE 63 15.651 25.872 -14.070 1033 HG12 ILE 63 HG12 ILE 63 12.880 24.797 -14.627 1034 HG13 ILE 63 HG11 ILE 63 14.102 24.015 -13.630 1035 HG21 ILE 63 HG21 ILE 63 13.515 26.933 -15.912 1036 HG22 ILE 63 HG22 ILE 63 15.145 27.579 -15.707 1037 HG23 ILE 63 HG23 ILE 63 13.996 27.645 -14.368 1038 HD11 ILE 63 HD11 ILE 63 14.023 25.866 -12.060 1039 HD12 ILE 63 HD12 ILE 63 12.422 25.162 -12.289 1040 HD13 ILE 63 HD13 ILE 63 12.835 26.686 -13.071 1041 H ASN 64 HN ASN 64 17.613 25.843 -15.669 1042 HA ASN 64 HA ASN 64 17.446 27.864 -17.611 1043 HB2 ASN 64 HB2 ASN 64 19.144 28.577 -16.343 1044 HB3 ASN 64 HB1 ASN 64 19.325 26.990 -15.616 1045 HD21 ASN 64 HD21 ASN 64 20.853 25.608 -16.397 1046 HD22 ASN 64 HD22 ASN 64 22.128 26.116 -17.451 1047 H TYR 65 HN TYR 65 18.672 24.577 -17.701 1048 HA TYR 65 HA TYR 65 19.861 24.878 -20.290 1049 HB2 TYR 65 HB2 TYR 65 19.296 22.481 -18.571 1050 HB3 TYR 65 HB1 TYR 65 19.851 22.295 -20.229 1051 HD1 TYR 65 HD1 TYR 65 21.027 21.968 -17.129 1052 HD2 TYR 65 HD2 TYR 65 21.866 24.310 -20.578 1053 HE1 TYR 65 HE1 TYR 65 23.345 22.249 -16.368 1054 HE2 TYR 65 HE2 TYR 65 24.185 24.596 -19.826 1055 HH TYR 65 HH TYR 65 25.436 24.539 -17.698 1056 H LEU 66 HN LEU 66 16.765 23.655 -19.113 1057 HA LEU 66 HA LEU 66 15.983 22.742 -21.716 1058 HB2 LEU 66 HB2 LEU 66 14.377 23.170 -19.201 1059 HB3 LEU 66 HB1 LEU 66 13.706 22.525 -20.684 1060 HG LEU 66 HG LEU 66 15.901 21.255 -19.059 1061 HD11 LEU 66 HD11 LEU 66 12.985 20.538 -19.330 1062 HD12 LEU 66 HD12 LEU 66 13.746 21.255 -17.910 1063 HD13 LEU 66 HD13 LEU 66 14.198 19.633 -18.426 1064 HD21 LEU 66 HD21 LEU 66 14.365 20.265 -21.464 1065 HD22 LEU 66 HD22 LEU 66 15.505 19.314 -20.514 1066 HD23 LEU 66 HD23 LEU 66 16.072 20.709 -21.428 1067 H GLU 67 HN GLU 67 15.688 25.742 -19.968 1068 HA GLU 67 HA GLU 67 13.683 26.786 -21.737 1069 HB2 GLU 67 HB2 GLU 67 13.804 28.794 -20.509 1070 HB3 GLU 67 HB1 GLU 67 14.073 27.517 -19.330 1071 HG2 GLU 67 HG2 GLU 67 16.387 27.963 -19.239 1072 HG3 GLU 67 HG1 GLU 67 16.304 29.038 -20.631 1073 H MET 68 HN MET 68 17.154 26.689 -21.691 1074 HA MET 68 HA MET 68 17.387 28.774 -23.703 1075 HB2 MET 68 HB2 MET 68 19.799 28.452 -23.548 1076 HB3 MET 68 HB1 MET 68 19.105 28.640 -21.946 1077 HG2 MET 68 HG2 MET 68 19.218 26.227 -21.615 1078 HG3 MET 68 HG1 MET 68 19.902 26.037 -23.225 1079 HE1 MET 68 HE1 MET 68 22.334 26.505 -23.873 1080 HE2 MET 68 HE2 MET 68 23.455 27.471 -22.915 1081 HE3 MET 68 HE3 MET 68 22.022 28.222 -23.615 1082 H SER 69 HN SER 69 17.549 25.284 -23.484 1083 HA SER 69 HA SER 69 17.695 23.639 -25.032 1084 HB2 SER 69 HB2 SER 69 15.674 24.766 -25.936 1085 HB3 SER 69 HB1 SER 69 16.706 25.775 -26.947 1086 HG SER 69 HG SER 69 16.587 24.221 -28.339
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