NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649232 | 6uco | 30673 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 HT1 ARG 1 -13.593 5.805 -4.688 2 H2 ARG 1 HT2 ARG 1 -12.266 5.783 -3.642 3 H3 ARG 1 HT3 ARG 1 -13.666 4.927 -3.245 4 HA ARG 1 HA ARG 1 -13.345 3.449 -5.094 5 HB2 ARG 1 HB2 ARG 1 -10.849 5.110 -5.514 6 HB3 ARG 1 HB1 ARG 1 -11.132 3.557 -6.288 7 HG2 ARG 1 HG2 ARG 1 -12.889 5.981 -6.611 8 HG3 ARG 1 HG1 ARG 1 -11.636 5.478 -7.747 9 HD2 ARG 1 HD2 ARG 1 -14.063 3.871 -6.957 10 HD3 ARG 1 HD1 ARG 1 -13.859 4.747 -8.472 11 HE ARG 1 HE ARG 1 -11.761 3.161 -8.594 12 HH11 ARG 1 HH11 ARG 1 -14.915 0.726 -8.099 13 HH12 ARG 1 HH12 ARG 1 -15.028 2.380 -7.593 14 HH21 ARG 1 HH21 ARG 1 -12.977 -0.064 -9.040 15 HH22 ARG 1 HH22 ARG 1 -11.612 0.994 -9.241 16 HA PRO 2 HA PRO 2 -11.138 1.369 -1.834 17 HB2 PRO 2 HB2 PRO 2 -11.549 -1.167 -2.605 18 HB3 PRO 2 HB1 PRO 2 -12.859 -0.163 -1.962 19 HG2 PRO 2 HG2 PRO 2 -12.234 -0.893 -4.789 20 HG3 PRO 2 HG1 PRO 2 -13.807 -0.737 -3.995 21 HD2 PRO 2 HD2 PRO 2 -12.642 1.191 -5.610 22 HD3 PRO 2 HD1 PRO 2 -13.917 1.502 -4.417 23 H PHE 3 HN PHE 3 -9.018 1.072 -1.609 24 HA PHE 3 HA PHE 3 -7.454 0.233 -3.959 25 HB2 PHE 3 HB2 PHE 3 -6.633 1.831 -1.524 26 HB3 PHE 3 HB1 PHE 3 -5.527 1.300 -2.778 27 HD1 PHE 3 HD1 PHE 3 -5.588 2.283 -4.995 28 HD2 PHE 3 HD2 PHE 3 -8.167 3.645 -1.901 29 HE1 PHE 3 HE1 PHE 3 -6.079 4.305 -6.300 30 HE2 PHE 3 HE2 PHE 3 -8.668 5.668 -3.204 31 HZ PHE 3 HZ PHE 3 -7.622 5.999 -5.409 32 H NLE 4 HN NLE 4 -5.825 -1.329 -3.700 33 HA NLE 4 HA NLE 4 -5.615 -2.689 -1.137 34 HB2 NLE 4 HB1 NLE 4 -6.451 -4.122 -3.667 35 HB3 NLE 4 HB2 NLE 4 -7.498 -3.791 -2.295 36 HG2 NLE 4 HG1 NLE 4 -6.048 -5.198 -0.881 37 HG3 NLE 4 HG2 NLE 4 -5.071 -5.574 -2.303 38 HD2 NLE 4 HD1 NLE 4 -7.021 -6.577 -3.389 39 HD3 NLE 4 HD2 NLE 4 -8.010 -6.190 -1.972 40 HE1 NLE 4 HE1 NLE 4 -5.597 -7.998 -2.002 41 HE2 NLE 4 HE2 NLE 4 -7.280 -8.518 -1.921 42 HE3 NLE 4 HE3 NLE 4 -6.573 -7.605 -0.588 43 H CYS 5 HN CYS 5 -3.582 -3.254 -0.766 44 HA CYS 5 HA CYS 5 -1.593 -2.973 -2.826 45 HB2 CYS 5 HB2 CYS 5 -1.029 -2.267 -0.573 46 HB3 CYS 5 HB1 CYS 5 -1.371 -3.875 0.051 47 H THR 6 HN THR 6 -1.475 -4.515 -4.313 48 HA THR 6 HA THR 6 -2.061 -7.275 -3.568 49 HB THR 6 HB THR 6 -3.198 -6.291 -5.547 50 HG1 THR 6 HG1 THR 6 -1.527 -8.557 -5.744 51 HG21 THR 6 HG21 THR 6 -1.392 -4.871 -6.373 52 HG22 THR 6 HG22 THR 6 -1.933 -5.985 -7.628 53 HG23 THR 6 HG23 THR 6 -0.432 -6.299 -6.758 54 H TRP 7 HN TRP 7 0.510 -5.694 -3.056 55 HA TRP 7 HA TRP 7 2.560 -6.853 -4.625 56 HB2 TRP 7 HB2 TRP 7 2.748 -4.773 -3.180 57 HB3 TRP 7 HB1 TRP 7 2.838 -5.845 -1.790 58 HD1 TRP 7 HD1 TRP 7 4.886 -4.528 -4.686 59 HE1 TRP 7 HE1 TRP 7 7.338 -5.273 -4.409 60 HE3 TRP 7 HE3 TRP 7 4.298 -7.794 -0.802 61 HZ2 TRP 7 HZ2 TRP 7 8.816 -7.015 -2.752 62 HZ3 TRP 7 HZ3 TRP 7 6.282 -8.956 0.068 63 HH2 TRP 7 HH2 TRP 7 8.489 -8.577 -0.887 64 H NVA 8 HN NVX 8 2.692 -9.016 -4.745 65 HA NVA 8 HA NVX 8 2.859 -11.204 -4.171 66 HB2 NVA 8 HB1 NVX 8 4.261 -9.807 -1.913 67 HB3 NVA 8 HB2 NVX 8 4.962 -10.665 -3.276 68 HG2 NVA 8 HG1 NVX 8 5.241 -11.916 -1.223 69 HG3 NVA 8 HG2 NVX 8 4.176 -12.780 -2.341 70 HD1 NVA 8 HD NVX 8 3.441 -11.192 0.086 71 HA CYS 9 HA CYX 9 -0.160 -11.965 -0.863 72 HB2 CYS 9 HB2 CYX 9 0.888 -13.322 1.283 73 HB3 CYS 9 HB1 CYX 9 0.634 -14.043 -0.314 74 H CYS 10 HN CYS 10 0.875 -9.354 -0.469 75 HA CYS 10 HA CYS 10 0.986 -8.825 2.352 76 HB2 CYS 10 HB2 CYS 10 2.146 -7.406 0.713 77 HB3 CYS 10 HB1 CYS 10 0.603 -6.948 0.011 78 H GLY 11 HN GLY 11 -1.319 -7.622 -0.104 79 HA2 GLY 11 HA2 GLY 11 -3.593 -7.442 -0.084 80 HA3 GLY 11 HA1 GLY 11 -3.594 -8.764 1.065 81 H LYS 12 HN LYS 12 -2.805 -5.283 1.030 82 HA LYS 12 HA LYS 12 -4.552 -5.022 3.384 83 HB2 LYS 12 HB2 LYS 12 -1.982 -3.591 2.748 84 HB3 LYS 12 HB1 LYS 12 -3.172 -2.890 3.839 85 HG2 LYS 12 HG2 LYS 12 -3.048 -4.941 5.216 86 HG3 LYS 12 HG1 LYS 12 -1.746 -5.516 4.168 87 HD2 LYS 12 HD2 LYS 12 -0.360 -3.664 4.782 88 HD3 LYS 12 HD1 LYS 12 -1.670 -2.922 5.699 89 HE2 LYS 12 HE2 LYS 12 -1.654 -4.782 7.267 90 HE3 LYS 12 HE1 LYS 12 -0.404 -5.590 6.324 91 HZ1 LYS 12 HZ1 LYS 12 1.109 -3.795 6.820 92 HZ2 LYS 12 HZ2 LYS 12 0.503 -4.442 8.258 93 HZ3 LYS 12 HZ3 LYS 12 -0.090 -2.968 7.680 94 H ARG 13 HN ARG 13 -6.047 -3.366 3.387 95 HA ARG 13 HA ARG 13 -6.491 -2.238 0.706 96 HB2 ARG 13 HB2 ARG 13 -8.531 -2.949 2.818 97 HB3 ARG 13 HB1 ARG 13 -8.890 -2.302 1.222 98 HG2 ARG 13 HG2 ARG 13 -7.919 -4.303 0.200 99 HG3 ARG 13 HG1 ARG 13 -7.584 -4.948 1.808 100 HD2 ARG 13 HD2 ARG 13 -9.604 -5.956 1.052 101 HD3 ARG 13 HD1 ARG 13 -10.043 -4.771 2.283 102 HE ARG 13 HE ARG 13 -10.149 -3.940 -0.516 103 HH11 ARG 13 HH11 ARG 13 -11.867 -4.875 2.385 104 HH12 ARG 13 HH12 ARG 13 -13.393 -4.275 1.827 105 HH21 ARG 13 HH21 ARG 13 -12.149 -3.169 -1.265 106 HH22 ARG 13 HH22 ARG 13 -13.560 -3.315 -0.262 107 H PHE 14 HN PHE 14 -7.086 -0.135 0.462 108 HA PHE 14 HA PHE 14 -7.160 1.563 2.858 109 HB2 PHE 14 HB2 PHE 14 -5.523 2.212 0.394 110 HB3 PHE 14 HB1 PHE 14 -5.616 3.154 1.876 111 HD1 PHE 14 HD1 PHE 14 -4.067 0.383 0.185 112 HD2 PHE 14 HD2 PHE 14 -4.608 2.269 3.955 113 HE1 PHE 14 HE1 PHE 14 -2.144 -0.866 1.079 114 HE2 PHE 14 HE2 PHE 14 -2.692 1.022 4.862 115 HZ PHE 14 HZ PHE 14 -1.457 -0.547 3.422 116 H THR 15 HN THR 15 -8.074 3.710 2.402 117 HA THR 15 HA THR 15 -10.046 3.551 0.233 118 HB THR 15 HB THR 15 -11.154 5.437 1.590 119 HG1 THR 15 HG1 THR 15 -10.054 6.044 3.284 120 HG21 THR 15 HG21 THR 15 -10.935 2.654 2.755 121 HG22 THR 15 HG22 THR 15 -12.069 3.177 1.508 122 HG23 THR 15 HG23 THR 15 -12.197 3.822 3.145 123 H ARG 16 HN ARG 16 -7.138 4.948 0.933 124 HA ARG 16 HA ARG 16 -7.660 7.165 -0.931 125 HB2 ARG 16 HB2 ARG 16 -5.821 7.265 1.472 126 HB3 ARG 16 HB1 ARG 16 -6.065 8.559 0.313 127 HG2 ARG 16 HG2 ARG 16 -8.475 8.591 1.011 128 HG3 ARG 16 HG1 ARG 16 -8.030 7.485 2.313 129 HD2 ARG 16 HD2 ARG 16 -7.005 10.281 1.850 130 HD3 ARG 16 HD1 ARG 16 -8.000 9.717 3.187 131 HE ARG 16 HE ARG 16 -5.960 8.249 3.700 132 HH11 ARG 16 HH11 ARG 16 -4.236 11.811 2.974 133 HH12 ARG 16 HH12 ARG 16 -5.836 11.493 2.387 134 HH21 ARG 16 HH21 ARG 16 -3.106 10.207 4.163 135 HH22 ARG 16 HH22 ARG 16 -3.836 8.656 4.476 136 H SER 17 HN SER 17 -6.128 7.525 -2.475 137 HA SER 17 HA SER 17 -4.368 5.369 -3.112 138 HB2 SER 17 HB2 SER 17 -3.663 6.981 -4.978 139 HB3 SER 17 HB1 SER 17 -5.362 6.502 -4.951 140 HG SER 17 HG SER 17 -4.557 8.908 -5.057 141 H ASP 18 HN ASP 18 -4.024 8.552 -1.717 142 HA ASP 18 HA ASP 18 -1.216 8.727 -1.693 143 HB2 ASP 18 HB2 ASP 18 -3.200 9.852 0.302 144 HB3 ASP 18 HB1 ASP 18 -1.517 10.338 0.161 145 H GLU 19 HN GLU 19 -3.477 7.015 0.310 146 HA GLU 19 HA GLU 19 -1.608 6.479 2.422 147 HB2 GLU 19 HB2 GLU 19 -4.187 6.603 2.583 148 HB3 GLU 19 HB1 GLU 19 -4.164 4.968 1.940 149 HG2 GLU 19 HG2 GLU 19 -4.329 4.907 4.337 150 HG3 GLU 19 HG1 GLU 19 -2.771 4.259 3.825 151 H LEU 20 HN LEU 20 -3.026 4.688 -0.293 152 HA LEU 20 HA LEU 20 -1.666 2.268 0.132 153 HB2 LEU 20 HB2 LEU 20 -3.487 2.314 -1.412 154 HB3 LEU 20 HB1 LEU 20 -2.707 3.542 -2.393 155 HG LEU 20 HG LEU 20 -0.950 1.904 -3.006 156 HD11 LEU 20 HD11 LEU 20 -1.064 0.468 -1.055 157 HD12 LEU 20 HD12 LEU 20 -1.297 -0.465 -2.534 158 HD13 LEU 20 HD13 LEU 20 -2.682 -0.061 -1.520 159 HD21 LEU 20 HD21 LEU 20 -3.750 0.960 -3.591 160 HD22 LEU 20 HD22 LEU 20 -2.303 0.588 -4.526 161 HD23 LEU 20 HD23 LEU 20 -2.902 2.245 -4.449 162 H GLN 21 HN GLN 21 -0.751 5.148 -1.742 163 HA GLN 21 HA GLN 21 1.688 4.121 -2.701 164 HB2 GLN 21 HB2 GLN 21 0.747 6.108 -3.698 165 HB3 GLN 21 HB1 GLN 21 0.838 6.972 -2.168 166 HG2 GLN 21 HG2 GLN 21 3.261 6.901 -2.249 167 HG3 GLN 21 HG1 GLN 21 3.201 5.975 -3.745 168 HE21 GLN 21 HE21 GLN 21 1.006 7.464 -4.868 169 HE22 GLN 21 HE22 GLN 21 1.632 9.011 -5.319 170 H ARG 22 HN ARG 22 0.904 6.028 0.183 171 HA ARG 22 HA ARG 22 3.437 6.243 1.303 172 HB2 ARG 22 HB2 ARG 22 1.520 7.397 2.240 173 HB3 ARG 22 HB1 ARG 22 0.766 5.869 2.658 174 HG2 ARG 22 HG2 ARG 22 2.669 5.423 4.195 175 HG3 ARG 22 HG1 ARG 22 3.247 7.058 3.864 176 HD2 ARG 22 HD2 ARG 22 1.165 7.980 4.704 177 HD3 ARG 22 HD1 ARG 22 0.540 6.359 4.986 178 HE ARG 22 HE ARG 22 2.992 7.152 6.363 179 HH11 ARG 22 HH11 ARG 22 -0.470 6.304 8.210 180 HH12 ARG 22 HH12 ARG 22 -0.433 6.426 6.474 181 HH21 ARG 22 HH21 ARG 22 2.942 6.974 8.645 182 HH22 ARG 22 HH22 ARG 22 1.442 6.608 9.435 183 H HIS 23 HN HIS 23 1.022 3.682 1.735 184 HA HIS 23 HA HIS 23 2.560 2.032 3.397 185 HB2 HIS 23 HB2 HIS 23 0.243 1.561 3.294 186 HB3 HIS 23 HB1 HIS 23 0.252 1.488 1.536 187 HD1 HIS 23 HD1 HIS 23 1.040 -0.603 4.583 188 HD2 HIS 23 HD2 HIS 23 1.073 -0.893 0.423 189 HE1 HIS 23 HE1 HIS 23 1.561 -3.033 4.018 190 H LYS 24 HN LYS 24 2.215 2.118 -0.118 191 HA LYS 24 HA LYS 24 3.658 -0.156 -0.783 192 HB2 LYS 24 HB2 LYS 24 2.317 1.136 -2.374 193 HB3 LYS 24 HB1 LYS 24 3.468 2.460 -2.281 194 HG2 LYS 24 HG2 LYS 24 5.178 1.071 -3.294 195 HG3 LYS 24 HG1 LYS 24 4.061 -0.295 -3.335 196 HD2 LYS 24 HD2 LYS 24 4.177 0.783 -5.516 197 HD3 LYS 24 HD1 LYS 24 2.570 0.969 -4.812 198 HE2 LYS 24 HE2 LYS 24 3.164 3.240 -4.082 199 HE3 LYS 24 HE1 LYS 24 4.759 3.053 -4.810 200 HZ1 LYS 24 HZ1 LYS 24 2.175 2.971 -6.269 201 HZ2 LYS 24 HZ2 LYS 24 3.706 2.812 -6.967 202 HZ3 LYS 24 HZ3 LYS 24 3.252 4.274 -6.250 203 H ARG 25 HN ARG 25 4.786 2.942 0.303 204 HA ARG 25 HA ARG 25 7.443 2.849 -0.595 205 HB2 ARG 25 HB2 ARG 25 6.358 4.072 1.941 206 HB3 ARG 25 HB1 ARG 25 7.935 4.411 1.246 207 HG2 ARG 25 HG2 ARG 25 6.917 5.408 -0.695 208 HG3 ARG 25 HG1 ARG 25 5.309 4.966 -0.120 209 HD2 ARG 25 HD2 ARG 25 5.712 7.290 0.359 210 HD3 ARG 25 HD1 ARG 25 5.672 6.387 1.870 211 HE ARG 25 HE ARG 25 8.238 7.063 0.585 212 HH11 ARG 25 HH11 ARG 25 6.063 7.277 3.332 213 HH12 ARG 25 HH12 ARG 25 7.248 8.004 4.368 214 HH21 ARG 25 HH21 ARG 25 9.365 8.405 3.595 215 HH22 ARG 25 HH22 ARG 25 9.797 7.991 1.958 216 H THR 26 HN THR 26 5.853 0.965 1.796 217 HA THR 26 HA THR 26 8.154 0.349 3.369 218 HB THR 26 HB THR 26 6.826 -1.495 4.305 219 HG1 THR 26 HG1 THR 26 4.697 -0.709 2.587 220 HG21 THR 26 HG21 THR 26 6.500 0.756 5.207 221 HG22 THR 26 HG22 THR 26 4.999 -0.168 5.256 222 HG23 THR 26 HG23 THR 26 5.238 1.059 4.012 223 H HIS 27 HN HIS 27 6.729 -0.960 0.450 224 HA HIS 27 HA HIS 27 8.500 -3.277 0.502 225 HB2 HIS 27 HB2 HIS 27 6.541 -2.476 -1.657 226 HB3 HIS 27 HB1 HIS 27 7.346 -4.028 -1.493 227 HD1 HIS 27 HD1 HIS 27 6.619 -5.251 1.022 228 HD2 HIS 27 HD2 HIS 27 4.041 -2.549 -0.838 229 HE1 HIS 27 HE1 HIS 27 4.287 -5.706 1.951 230 H THR 28 HN THR 28 7.888 -0.394 -1.461 231 HA THR 28 HA THR 28 10.555 -0.444 -2.539 232 HB THR 28 HB THR 28 9.407 -2.146 -3.925 233 HG1 THR 28 HG1 THR 28 9.821 -1.028 -6.004 234 HG21 THR 28 HG21 THR 28 7.127 -1.300 -3.812 235 HG22 THR 28 HG22 THR 28 7.637 -1.455 -5.492 236 HG23 THR 28 HG23 THR 28 7.594 0.134 -4.728 237 H GLY 29 HN GLY 29 9.988 1.157 -4.815 238 HA2 GLY 29 HA2 GLY 29 9.007 3.246 -5.406 239 HA3 GLY 29 HA1 GLY 29 8.585 3.492 -3.717 240 H GLU 30 HN GLU 30 10.555 3.591 -2.229 241 HA GLU 30 HA GLU 30 12.736 5.049 -3.557 242 HB2 GLU 30 HB2 GLU 30 12.792 6.546 -1.535 243 HB3 GLU 30 HB1 GLU 30 11.363 6.731 -2.546 244 HG2 GLU 30 HG2 GLU 30 10.194 5.165 -0.940 245 HG3 GLU 30 HG1 GLU 30 11.593 5.364 0.116 246 H LYS 31 HN LYS 31 12.817 2.351 -2.966 247 HA LYS 31 HA LYS 31 14.871 2.302 -0.868 248 HB2 LYS 31 HB2 LYS 31 12.607 0.366 -1.299 249 HB3 LYS 31 HB1 LYS 31 14.090 -0.136 -0.501 250 HG2 LYS 31 HG2 LYS 31 13.750 1.574 1.208 251 HG3 LYS 31 HG1 LYS 31 12.266 2.084 0.402 252 HD2 LYS 31 HD2 LYS 31 11.207 0.002 0.853 253 HD3 LYS 31 HD1 LYS 31 12.722 -0.724 1.394 254 HE2 LYS 31 HE2 LYS 31 11.257 -0.140 3.278 255 HE3 LYS 31 HE1 LYS 31 12.774 0.757 3.318 256 HZ1 LYS 31 HZ1 LYS 31 10.222 1.835 2.247 257 HZ2 LYS 31 HZ2 LYS 31 11.668 2.684 2.474 258 HZ3 LYS 31 HZ3 LYS 31 10.804 2.123 3.808 259 HN1 NH2 32 HN1 NH2 32 16.407 2.519 -2.480 260 HN2 NH2 32 HN2 NH2 32 16.801 1.232 -3.572 Start of MODEL 2 1 H1 ARG 1 HT1 ARG 1 -13.058 5.606 -2.904 2 H2 ARG 1 HT2 ARG 1 -14.271 4.447 -2.698 3 H3 ARG 1 HT3 ARG 1 -14.329 5.506 -4.016 4 HA ARG 1 HA ARG 1 -13.604 3.328 -4.708 5 HB2 ARG 1 HB2 ARG 1 -12.739 5.323 -5.879 6 HB3 ARG 1 HB1 ARG 1 -11.396 5.400 -4.749 7 HG2 ARG 1 HG2 ARG 1 -10.597 3.232 -5.542 8 HG3 ARG 1 HG1 ARG 1 -11.943 3.156 -6.679 9 HD2 ARG 1 HD2 ARG 1 -11.130 5.137 -7.818 10 HD3 ARG 1 HD1 ARG 1 -9.828 5.306 -6.642 11 HE ARG 1 HE ARG 1 -9.781 2.765 -7.941 12 HH11 ARG 1 HH11 ARG 1 -7.606 5.806 -9.427 13 HH12 ARG 1 HH12 ARG 1 -8.895 6.131 -8.312 14 HH21 ARG 1 HH21 ARG 1 -7.142 3.637 -10.046 15 HH22 ARG 1 HH22 ARG 1 -8.070 2.326 -9.392 16 HA PRO 2 HA PRO 2 -11.028 1.297 -1.669 17 HB2 PRO 2 HB2 PRO 2 -11.178 -1.187 -2.637 18 HB3 PRO 2 HB1 PRO 2 -12.590 -0.406 -1.903 19 HG2 PRO 2 HG2 PRO 2 -11.927 -0.817 -4.786 20 HG3 PRO 2 HG1 PRO 2 -13.491 -0.931 -3.971 21 HD2 PRO 2 HD2 PRO 2 -12.586 1.270 -5.416 22 HD3 PRO 2 HD1 PRO 2 -13.902 1.296 -4.222 23 H PHE 3 HN PHE 3 -8.900 0.783 -1.509 24 HA PHE 3 HA PHE 3 -7.393 0.330 -4.000 25 HB2 PHE 3 HB2 PHE 3 -6.567 1.961 -1.588 26 HB3 PHE 3 HB1 PHE 3 -5.493 1.534 -2.910 27 HD1 PHE 3 HD1 PHE 3 -5.865 2.468 -5.163 28 HD2 PHE 3 HD2 PHE 3 -8.160 3.700 -1.800 29 HE1 PHE 3 HE1 PHE 3 -6.591 4.465 -6.396 30 HE2 PHE 3 HE2 PHE 3 -8.895 5.698 -3.027 31 HZ PHE 3 HZ PHE 3 -8.129 6.057 -5.364 32 H NLE 4 HN NLE 4 -5.913 -1.311 -3.950 33 HA NLE 4 HA NLE 4 -5.603 -2.739 -1.399 34 HB2 NLE 4 HB1 NLE 4 -6.132 -4.027 -4.083 35 HB3 NLE 4 HB2 NLE 4 -7.341 -3.807 -2.827 36 HG2 NLE 4 HG1 NLE 4 -6.034 -5.251 -1.331 37 HG3 NLE 4 HG2 NLE 4 -4.853 -5.492 -2.622 38 HD2 NLE 4 HD1 NLE 4 -6.567 -6.519 -4.025 39 HD3 NLE 4 HD2 NLE 4 -7.777 -6.244 -2.763 40 HE1 NLE 4 HE1 NLE 4 -6.511 -7.679 -1.241 41 HE2 NLE 4 HE2 NLE 4 -5.312 -7.961 -2.505 42 HE3 NLE 4 HE3 NLE 4 -6.964 -8.543 -2.710 43 H CYS 5 HN CYS 5 -3.600 -3.398 -0.957 44 HA CYS 5 HA CYS 5 -1.467 -2.752 -2.784 45 HB2 CYS 5 HB2 CYS 5 -1.140 -2.317 -0.421 46 HB3 CYS 5 HB1 CYS 5 -1.448 -4.004 -0.035 47 H THR 6 HN THR 6 -1.317 -4.082 -4.480 48 HA THR 6 HA THR 6 -1.783 -6.927 -4.225 49 HB THR 6 HB THR 6 -1.220 -6.891 -6.711 50 HG1 THR 6 HG1 THR 6 -1.725 -4.204 -6.898 51 HG21 THR 6 HG21 THR 6 -3.487 -5.159 -5.716 52 HG22 THR 6 HG22 THR 6 -3.523 -6.913 -5.904 53 HG23 THR 6 HG23 THR 6 -3.378 -5.875 -7.324 54 H TRP 7 HN TRP 7 0.558 -5.682 -2.893 55 HA TRP 7 HA TRP 7 2.824 -6.713 -4.366 56 HB2 TRP 7 HB2 TRP 7 2.760 -4.602 -2.851 57 HB3 TRP 7 HB1 TRP 7 2.916 -5.746 -1.523 58 HD1 TRP 7 HD1 TRP 7 4.879 -4.099 -4.287 59 HE1 TRP 7 HE1 TRP 7 7.365 -4.733 -4.074 60 HE3 TRP 7 HE3 TRP 7 4.475 -7.718 -0.709 61 HZ2 TRP 7 HZ2 TRP 7 8.942 -6.535 -2.572 62 HZ3 TRP 7 HZ3 TRP 7 6.521 -8.847 0.061 63 HH2 TRP 7 HH2 TRP 7 8.705 -8.267 -0.850 64 H NVA 8 HN NVX 8 2.844 -8.888 -4.438 65 HA NVA 8 HA NVX 8 2.944 -11.055 -3.799 66 HB2 NVA 8 HB1 NVX 8 4.007 -9.676 -1.347 67 HB3 NVA 8 HB2 NVX 8 4.915 -10.464 -2.629 68 HG2 NVA 8 HG1 NVX 8 4.920 -11.795 -0.607 69 HG3 NVA 8 HG2 NVX 8 4.050 -12.628 -1.901 70 HD1 NVA 8 HD NVX 8 2.956 -11.202 0.482 71 HA CYS 9 HA CYX 9 -0.472 -11.887 -0.992 72 HB2 CYS 9 HB2 CYX 9 0.388 -13.143 1.354 73 HB3 CYS 9 HB1 CYX 9 0.130 -13.933 -0.207 74 H CYS 10 HN CYS 10 1.043 -9.344 -0.226 75 HA CYS 10 HA CYS 10 0.481 -8.784 2.482 76 HB2 CYS 10 HB2 CYS 10 2.033 -7.449 1.124 77 HB3 CYS 10 HB1 CYS 10 0.703 -6.918 0.113 78 H GLY 11 HN GLY 11 -1.229 -7.423 -0.358 79 HA2 GLY 11 HA2 GLY 11 -3.453 -7.018 -0.722 80 HA3 GLY 11 HA1 GLY 11 -3.761 -8.387 0.330 81 H LYS 12 HN LYS 12 -2.158 -5.394 1.272 82 HA LYS 12 HA LYS 12 -4.128 -4.933 3.324 83 HB2 LYS 12 HB2 LYS 12 -1.630 -4.440 3.529 84 HB3 LYS 12 HB1 LYS 12 -1.923 -3.049 2.494 85 HG2 LYS 12 HG2 LYS 12 -1.943 -2.236 4.694 86 HG3 LYS 12 HG1 LYS 12 -3.635 -2.304 4.189 87 HD2 LYS 12 HD2 LYS 12 -3.867 -4.461 5.365 88 HD3 LYS 12 HD1 LYS 12 -2.191 -4.330 5.901 89 HE2 LYS 12 HE2 LYS 12 -3.557 -3.590 7.700 90 HE3 LYS 12 HE1 LYS 12 -2.818 -2.156 6.992 91 HZ1 LYS 12 HZ1 LYS 12 -5.591 -3.114 6.532 92 HZ2 LYS 12 HZ2 LYS 12 -4.890 -1.782 5.761 93 HZ3 LYS 12 HZ3 LYS 12 -5.134 -1.757 7.433 94 H ARG 13 HN ARG 13 -5.784 -3.485 3.279 95 HA ARG 13 HA ARG 13 -6.263 -2.220 0.671 96 HB2 ARG 13 HB2 ARG 13 -8.233 -2.978 2.829 97 HB3 ARG 13 HB1 ARG 13 -8.645 -2.271 1.275 98 HG2 ARG 13 HG2 ARG 13 -7.890 -4.221 0.119 99 HG3 ARG 13 HG1 ARG 13 -7.261 -4.914 1.615 100 HD2 ARG 13 HD2 ARG 13 -10.149 -4.365 0.945 101 HD3 ARG 13 HD1 ARG 13 -9.378 -5.943 1.088 102 HE ARG 13 HE ARG 13 -9.350 -4.217 3.441 103 HH11 ARG 13 HH11 ARG 13 -10.750 -6.953 1.771 104 HH12 ARG 13 HH12 ARG 13 -11.462 -7.627 3.204 105 HH21 ARG 13 HH21 ARG 13 -10.274 -5.103 5.337 106 HH22 ARG 13 HH22 ARG 13 -11.196 -6.570 5.234 107 H PHE 14 HN PHE 14 -7.050 -0.140 0.527 108 HA PHE 14 HA PHE 14 -7.113 1.516 2.939 109 HB2 PHE 14 HB2 PHE 14 -5.530 2.278 0.474 110 HB3 PHE 14 HB1 PHE 14 -5.643 3.182 1.980 111 HD1 PHE 14 HD1 PHE 14 -4.011 0.491 0.223 112 HD2 PHE 14 HD2 PHE 14 -4.576 2.318 4.017 113 HE1 PHE 14 HE1 PHE 14 -2.011 -0.662 1.068 114 HE2 PHE 14 HE2 PHE 14 -2.582 1.164 4.875 115 HZ PHE 14 HZ PHE 14 -1.349 -0.406 3.408 116 H THR 15 HN THR 15 -8.154 3.598 2.539 117 HA THR 15 HA THR 15 -10.124 3.413 0.376 118 HB THR 15 HB THR 15 -11.278 5.250 1.680 119 HG1 THR 15 HG1 THR 15 -10.330 6.018 3.405 120 HG21 THR 15 HG21 THR 15 -12.011 2.927 1.868 121 HG22 THR 15 HG22 THR 15 -12.125 3.732 3.434 122 HG23 THR 15 HG23 THR 15 -10.790 2.627 3.104 123 H ARG 16 HN ARG 16 -7.247 4.915 1.142 124 HA ARG 16 HA ARG 16 -7.764 7.092 -0.767 125 HB2 ARG 16 HB2 ARG 16 -6.163 7.186 1.799 126 HB3 ARG 16 HB1 ARG 16 -6.082 8.437 0.567 127 HG2 ARG 16 HG2 ARG 16 -8.462 8.878 0.844 128 HG3 ARG 16 HG1 ARG 16 -8.556 7.607 2.062 129 HD2 ARG 16 HD2 ARG 16 -7.057 8.838 3.510 130 HD3 ARG 16 HD1 ARG 16 -6.831 10.073 2.274 131 HE ARG 16 HE ARG 16 -9.507 10.084 2.653 132 HH11 ARG 16 HH11 ARG 16 -7.666 11.291 6.013 133 HH12 ARG 16 HH12 ARG 16 -6.815 10.287 4.883 134 HH21 ARG 16 HH21 ARG 16 -9.839 11.911 5.600 135 HH22 ARG 16 HH22 ARG 16 -10.634 11.382 4.152 136 H SER 17 HN SER 17 -6.270 7.407 -2.332 137 HA SER 17 HA SER 17 -4.566 5.214 -2.948 138 HB2 SER 17 HB2 SER 17 -3.891 6.782 -4.879 139 HB3 SER 17 HB1 SER 17 -5.575 6.262 -4.800 140 HG SER 17 HG SER 17 -6.085 8.283 -4.690 141 H ASP 18 HN ASP 18 -4.073 8.443 -1.685 142 HA ASP 18 HA ASP 18 -1.264 8.516 -1.793 143 HB2 ASP 18 HB2 ASP 18 -3.172 9.783 0.183 144 HB3 ASP 18 HB1 ASP 18 -1.447 10.110 0.146 145 H GLU 19 HN GLU 19 -3.497 7.006 0.419 146 HA GLU 19 HA GLU 19 -1.579 6.409 2.438 147 HB2 GLU 19 HB2 GLU 19 -4.108 6.548 2.733 148 HB3 GLU 19 HB1 GLU 19 -4.189 4.976 1.955 149 HG2 GLU 19 HG2 GLU 19 -4.266 4.600 4.279 150 HG3 GLU 19 HG1 GLU 19 -2.662 4.113 3.733 151 H LEU 20 HN LEU 20 -3.018 4.644 -0.271 152 HA LEU 20 HA LEU 20 -1.693 2.204 0.141 153 HB2 LEU 20 HB2 LEU 20 -3.520 2.277 -1.389 154 HB3 LEU 20 HB1 LEU 20 -2.734 3.499 -2.371 155 HG LEU 20 HG LEU 20 -1.027 1.862 -3.053 156 HD11 LEU 20 HD11 LEU 20 -2.664 -0.127 -1.489 157 HD12 LEU 20 HD12 LEU 20 -1.061 0.466 -1.043 158 HD13 LEU 20 HD13 LEU 20 -1.272 -0.489 -2.511 159 HD21 LEU 20 HD21 LEU 20 -3.137 2.156 -4.342 160 HD22 LEU 20 HD22 LEU 20 -3.796 0.764 -3.482 161 HD23 LEU 20 HD23 LEU 20 -2.393 0.570 -4.528 162 H GLN 21 HN GLN 21 -0.762 5.009 -1.855 163 HA GLN 21 HA GLN 21 1.663 3.924 -2.778 164 HB2 GLN 21 HB2 GLN 21 0.663 5.892 -3.809 165 HB3 GLN 21 HB1 GLN 21 0.893 6.814 -2.330 166 HG2 GLN 21 HG2 GLN 21 3.315 6.600 -2.579 167 HG3 GLN 21 HG1 GLN 21 3.077 5.687 -4.068 168 HE21 GLN 21 HE21 GLN 21 2.858 8.802 -2.549 169 HE22 GLN 21 HE22 GLN 21 2.719 9.725 -4.007 170 H ARG 22 HN ARG 22 0.906 5.903 0.048 171 HA ARG 22 HA ARG 22 3.456 6.224 1.108 172 HB2 ARG 22 HB2 ARG 22 1.496 7.373 1.993 173 HB3 ARG 22 HB1 ARG 22 0.807 5.851 2.515 174 HG2 ARG 22 HG2 ARG 22 2.647 5.582 4.117 175 HG3 ARG 22 HG1 ARG 22 3.284 7.154 3.617 176 HD2 ARG 22 HD2 ARG 22 1.276 8.258 4.350 177 HD3 ARG 22 HD1 ARG 22 0.504 6.715 4.700 178 HE ARG 22 HE ARG 22 2.945 7.384 6.158 179 HH11 ARG 22 HH11 ARG 22 -0.684 7.063 7.863 180 HH12 ARG 22 HH12 ARG 22 -0.542 6.980 6.132 181 HH21 ARG 22 HH21 ARG 22 2.749 7.468 8.438 182 HH22 ARG 22 HH22 ARG 22 1.182 7.342 9.168 183 H HIS 23 HN HIS 23 1.076 3.680 1.788 184 HA HIS 23 HA HIS 23 2.697 2.120 3.448 185 HB2 HIS 23 HB2 HIS 23 0.402 1.648 3.543 186 HB3 HIS 23 HB1 HIS 23 0.248 1.564 1.792 187 HD1 HIS 23 HD1 HIS 23 0.973 -0.568 4.786 188 HD2 HIS 23 HD2 HIS 23 1.129 -0.830 0.625 189 HE1 HIS 23 HE1 HIS 23 1.347 -3.029 4.214 190 H LYS 24 HN LYS 24 2.159 1.961 -0.059 191 HA LYS 24 HA LYS 24 3.508 -0.418 -0.564 192 HB2 LYS 24 HB2 LYS 24 2.082 0.868 -2.182 193 HB3 LYS 24 HB1 LYS 24 3.434 1.968 -2.410 194 HG2 LYS 24 HG2 LYS 24 3.515 0.461 -4.209 195 HG3 LYS 24 HG1 LYS 24 4.790 -0.049 -3.101 196 HD2 LYS 24 HD2 LYS 24 3.667 -2.018 -3.809 197 HD3 LYS 24 HD1 LYS 24 3.149 -1.705 -2.152 198 HE2 LYS 24 HE2 LYS 24 1.242 -2.337 -3.504 199 HE3 LYS 24 HE1 LYS 24 1.095 -0.649 -3.017 200 HZ1 LYS 24 HZ1 LYS 24 2.106 -1.566 -5.653 201 HZ2 LYS 24 HZ2 LYS 24 1.832 0.037 -5.183 202 HZ3 LYS 24 HZ3 LYS 24 0.531 -1.026 -5.361 203 H ARG 25 HN ARG 25 4.742 2.792 -0.000 204 HA ARG 25 HA ARG 25 7.318 2.326 -1.099 205 HB2 ARG 25 HB2 ARG 25 6.290 4.434 0.790 206 HB3 ARG 25 HB1 ARG 25 7.948 4.399 0.204 207 HG2 ARG 25 HG2 ARG 25 7.146 4.561 -2.095 208 HG3 ARG 25 HG1 ARG 25 5.483 4.592 -1.512 209 HD2 ARG 25 HD2 ARG 25 7.541 6.614 -0.665 210 HD3 ARG 25 HD1 ARG 25 6.537 6.828 -2.097 211 HE ARG 25 HE ARG 25 4.697 6.386 -0.212 212 HH11 ARG 25 HH11 ARG 25 7.488 8.512 -0.270 213 HH12 ARG 25 HH12 ARG 25 6.747 9.709 0.755 214 HH21 ARG 25 HH21 ARG 25 4.615 9.417 1.528 215 HH22 ARG 25 HH22 ARG 25 3.708 8.012 1.081 216 H THR 26 HN THR 26 5.923 1.040 1.649 217 HA THR 26 HA THR 26 8.365 0.828 3.171 218 HB THR 26 HB THR 26 7.171 -0.770 4.589 219 HG1 THR 26 HG1 THR 26 4.915 -0.420 2.878 220 HG21 THR 26 HG21 THR 26 5.467 1.625 3.901 221 HG22 THR 26 HG22 THR 26 6.843 1.621 5.004 222 HG23 THR 26 HG23 THR 26 5.391 0.700 5.400 223 H HIS 27 HN HIS 27 6.619 -1.068 0.781 224 HA HIS 27 HA HIS 27 8.358 -3.353 0.999 225 HB2 HIS 27 HB2 HIS 27 6.517 -2.585 -1.278 226 HB3 HIS 27 HB1 HIS 27 7.291 -4.144 -1.061 227 HD1 HIS 27 HD1 HIS 27 6.452 -5.363 1.386 228 HD2 HIS 27 HD2 HIS 27 4.017 -2.555 -0.499 229 HE1 HIS 27 HE1 HIS 27 4.071 -5.780 2.223 230 H THR 28 HN THR 28 7.878 -0.746 -1.335 231 HA THR 28 HA THR 28 10.683 -0.703 -2.003 232 HB THR 28 HB THR 28 8.638 -1.376 -4.136 233 HG1 THR 28 HG1 THR 28 10.238 -2.935 -2.527 234 HG21 THR 28 HG21 THR 28 10.553 -1.544 -5.641 235 HG22 THR 28 HG22 THR 28 11.641 -1.092 -4.331 236 HG23 THR 28 HG23 THR 28 10.464 0.071 -4.939 237 H GLY 29 HN GLY 29 11.243 1.362 -2.452 238 HA2 GLY 29 HA2 GLY 29 10.248 3.214 -4.052 239 HA3 GLY 29 HA1 GLY 29 9.111 3.331 -2.721 240 H GLU 30 HN GLU 30 10.186 3.589 -0.510 241 HA GLU 30 HA GLU 30 12.573 5.270 -0.733 242 HB2 GLU 30 HB2 GLU 30 9.952 6.093 0.516 243 HB3 GLU 30 HB1 GLU 30 11.470 6.920 0.838 244 HG2 GLU 30 HG2 GLU 30 11.681 7.533 -1.484 245 HG3 GLU 30 HG1 GLU 30 10.234 6.610 -1.890 246 H LYS 31 HN LYS 31 10.291 4.726 1.929 247 HA LYS 31 HA LYS 31 10.561 3.993 4.048 248 HB2 LYS 31 HB2 LYS 31 11.132 1.842 3.003 249 HB3 LYS 31 HB1 LYS 31 12.811 2.344 2.869 250 HG2 LYS 31 HG2 LYS 31 12.981 2.443 5.305 251 HG3 LYS 31 HG1 LYS 31 11.296 1.943 5.440 252 HD2 LYS 31 HD2 LYS 31 13.443 0.315 4.086 253 HD3 LYS 31 HD1 LYS 31 12.947 0.098 5.766 254 HE2 LYS 31 HE2 LYS 31 10.667 -0.395 5.029 255 HE3 LYS 31 HE1 LYS 31 11.156 -0.170 3.352 256 HZ1 LYS 31 HZ1 LYS 31 12.257 -2.234 5.176 257 HZ2 LYS 31 HZ2 LYS 31 12.631 -2.042 3.539 258 HZ3 LYS 31 HZ3 LYS 31 11.075 -2.510 4.001 259 HN1 NH2 32 HN1 NH2 32 11.129 6.034 4.746 260 HN2 NH2 32 HN2 NH2 32 12.754 6.460 5.160 Start of MODEL 3 1 H1 ARG 1 HT1 ARG 1 -14.288 5.062 -2.652 2 H2 ARG 1 HT2 ARG 1 -12.891 5.092 -1.701 3 H3 ARG 1 HT3 ARG 1 -14.083 3.934 -1.414 4 HA ARG 1 HA ARG 1 -13.679 2.915 -3.537 5 HB2 ARG 1 HB2 ARG 1 -12.913 5.053 -4.619 6 HB3 ARG 1 HB1 ARG 1 -11.389 4.880 -3.763 7 HG2 ARG 1 HG2 ARG 1 -11.062 4.085 -5.971 8 HG3 ARG 1 HG1 ARG 1 -11.088 2.677 -4.906 9 HD2 ARG 1 HD2 ARG 1 -12.379 2.280 -6.950 10 HD3 ARG 1 HD1 ARG 1 -13.412 2.245 -5.521 11 HE ARG 1 HE ARG 1 -13.300 4.828 -6.762 12 HH11 ARG 1 HH11 ARG 1 -16.291 2.299 -7.637 13 HH12 ARG 1 HH12 ARG 1 -14.854 1.694 -6.877 14 HH21 ARG 1 HH21 ARG 1 -16.477 4.526 -8.150 15 HH22 ARG 1 HH22 ARG 1 -15.187 5.622 -7.765 16 HA PRO 2 HA PRO 2 -10.823 0.812 -0.800 17 HB2 PRO 2 HB2 PRO 2 -11.297 -1.689 -1.650 18 HB3 PRO 2 HB1 PRO 2 -12.458 -0.806 -0.646 19 HG2 PRO 2 HG2 PRO 2 -12.504 -1.356 -3.572 20 HG3 PRO 2 HG1 PRO 2 -13.847 -1.263 -2.428 21 HD2 PRO 2 HD2 PRO 2 -13.049 0.757 -4.185 22 HD3 PRO 2 HD1 PRO 2 -14.106 0.969 -2.773 23 H PHE 3 HN PHE 3 -8.762 1.144 -1.287 24 HA PHE 3 HA PHE 3 -7.653 0.211 -3.833 25 HB2 PHE 3 HB2 PHE 3 -6.474 1.922 -1.630 26 HB3 PHE 3 HB1 PHE 3 -5.618 1.457 -3.093 27 HD1 PHE 3 HD1 PHE 3 -6.318 2.318 -5.272 28 HD2 PHE 3 HD2 PHE 3 -8.123 3.650 -1.657 29 HE1 PHE 3 HE1 PHE 3 -7.261 4.253 -6.458 30 HE2 PHE 3 HE2 PHE 3 -9.068 5.586 -2.836 31 HZ PHE 3 HZ PHE 3 -8.641 5.888 -5.242 32 H NLE 4 HN NLE 4 -5.917 -1.296 -3.885 33 HA NLE 4 HA NLE 4 -5.542 -2.748 -1.357 34 HB2 NLE 4 HB1 NLE 4 -6.167 -3.978 -4.045 35 HB3 NLE 4 HB2 NLE 4 -7.240 -3.925 -2.653 36 HG2 NLE 4 HG1 NLE 4 -5.709 -5.354 -1.402 37 HG3 NLE 4 HG2 NLE 4 -4.611 -5.391 -2.784 38 HD2 NLE 4 HD1 NLE 4 -6.366 -6.451 -4.141 39 HD3 NLE 4 HD2 NLE 4 -7.440 -6.444 -2.733 40 HE1 NLE 4 HE1 NLE 4 -5.886 -7.863 -1.518 41 HE2 NLE 4 HE2 NLE 4 -4.769 -7.838 -2.885 42 HE3 NLE 4 HE3 NLE 4 -6.341 -8.620 -3.047 43 H CYS 5 HN CYS 5 -3.535 -3.236 -0.894 44 HA CYS 5 HA CYS 5 -1.420 -2.823 -2.807 45 HB2 CYS 5 HB2 CYS 5 -1.061 -2.211 -0.463 46 HB3 CYS 5 HB1 CYS 5 -1.339 -3.877 0.026 47 H THR 6 HN THR 6 -1.490 -4.306 -4.390 48 HA THR 6 HA THR 6 -2.056 -7.084 -3.827 49 HB THR 6 HB THR 6 -1.691 -7.300 -6.347 50 HG1 THR 6 HG1 THR 6 -1.495 -5.424 -7.506 51 HG21 THR 6 HG21 THR 6 -3.803 -5.396 -5.323 52 HG22 THR 6 HG22 THR 6 -3.929 -7.154 -5.405 53 HG23 THR 6 HG23 THR 6 -3.842 -6.205 -6.888 54 H TRP 7 HN TRP 7 0.554 -5.491 -3.159 55 HA TRP 7 HA TRP 7 2.689 -6.725 -4.495 56 HB2 TRP 7 HB2 TRP 7 2.825 -4.690 -3.019 57 HB3 TRP 7 HB1 TRP 7 2.645 -5.752 -1.631 58 HD1 TRP 7 HD1 TRP 7 5.168 -4.598 -4.203 59 HE1 TRP 7 HE1 TRP 7 7.510 -5.437 -3.539 60 HE3 TRP 7 HE3 TRP 7 3.843 -7.738 -0.404 61 HZ2 TRP 7 HZ2 TRP 7 8.635 -7.208 -1.640 62 HZ3 TRP 7 HZ3 TRP 7 5.607 -8.965 0.786 63 HH2 TRP 7 HH2 TRP 7 7.950 -8.704 0.180 64 H NVA 8 HN NVX 8 2.797 -8.894 -4.646 65 HA NVA 8 HA NVX 8 2.814 -11.093 -4.099 66 HB2 NVA 8 HB1 NVX 8 4.131 -9.742 -1.768 67 HB3 NVA 8 HB2 NVX 8 4.866 -10.668 -3.067 68 HG2 NVA 8 HG1 NVX 8 4.963 -11.877 -0.969 69 HG3 NVA 8 HG2 NVX 8 3.927 -12.718 -2.134 70 HD1 NVA 8 HD NVX 8 3.097 -10.991 0.168 71 HA CYS 9 HA CYX 9 -0.445 -11.813 -1.033 72 HB2 CYS 9 HB2 CYX 9 0.343 -13.185 1.174 73 HB3 CYS 9 HB1 CYX 9 0.356 -13.891 -0.450 74 H CYS 10 HN CYS 10 0.925 -9.241 -0.425 75 HA CYS 10 HA CYS 10 0.688 -8.702 2.347 76 HB2 CYS 10 HB2 CYS 10 1.983 -7.314 0.741 77 HB3 CYS 10 HB1 CYS 10 0.475 -6.781 0.019 78 H GLY 11 HN GLY 11 -1.421 -7.541 -0.310 79 HA2 GLY 11 HA2 GLY 11 -3.696 -7.351 -0.447 80 HA3 GLY 11 HA1 GLY 11 -3.775 -8.660 0.717 81 H LYS 12 HN LYS 12 -2.520 -5.362 1.038 82 HA LYS 12 HA LYS 12 -4.323 -4.995 3.318 83 HB2 LYS 12 HB2 LYS 12 -1.805 -4.660 3.553 84 HB3 LYS 12 HB1 LYS 12 -2.001 -3.222 2.561 85 HG2 LYS 12 HG2 LYS 12 -3.350 -2.169 4.193 86 HG3 LYS 12 HG1 LYS 12 -3.509 -3.668 5.121 87 HD2 LYS 12 HD2 LYS 12 -1.060 -3.617 5.513 88 HD3 LYS 12 HD1 LYS 12 -0.995 -2.055 4.699 89 HE2 LYS 12 HE2 LYS 12 -1.047 -1.736 7.094 90 HE3 LYS 12 HE1 LYS 12 -2.542 -1.141 6.377 91 HZ1 LYS 12 HZ1 LYS 12 -3.673 -3.109 7.089 92 HZ2 LYS 12 HZ2 LYS 12 -2.879 -2.441 8.422 93 HZ3 LYS 12 HZ3 LYS 12 -2.239 -3.802 7.653 94 H ARG 13 HN ARG 13 -5.936 -3.550 3.253 95 HA ARG 13 HA ARG 13 -6.312 -2.168 0.689 96 HB2 ARG 13 HB2 ARG 13 -8.299 -3.251 2.683 97 HB3 ARG 13 HB1 ARG 13 -8.760 -2.225 1.331 98 HG2 ARG 13 HG2 ARG 13 -8.050 -3.850 -0.252 99 HG3 ARG 13 HG1 ARG 13 -7.281 -4.820 1.004 100 HD2 ARG 13 HD2 ARG 13 -9.431 -5.324 1.980 101 HD3 ARG 13 HD1 ARG 13 -10.237 -4.255 0.836 102 HE ARG 13 HE ARG 13 -9.753 -5.820 -0.904 103 HH11 ARG 13 HH11 ARG 13 -8.957 -6.978 2.309 104 HH12 ARG 13 HH12 ARG 13 -9.065 -8.652 1.871 105 HH21 ARG 13 HH21 ARG 13 -9.899 -8.033 -1.478 106 HH22 ARG 13 HH22 ARG 13 -9.601 -9.254 -0.280 107 H PHE 14 HN PHE 14 -7.077 -0.099 0.595 108 HA PHE 14 HA PHE 14 -7.139 1.487 3.071 109 HB2 PHE 14 HB2 PHE 14 -5.646 2.284 0.554 110 HB3 PHE 14 HB1 PHE 14 -5.740 3.208 2.050 111 HD1 PHE 14 HD1 PHE 14 -4.162 0.456 0.312 112 HD2 PHE 14 HD2 PHE 14 -4.547 2.457 4.042 113 HE1 PHE 14 HE1 PHE 14 -2.144 -0.688 1.126 114 HE2 PHE 14 HE2 PHE 14 -2.530 1.319 4.867 115 HZ PHE 14 HZ PHE 14 -1.329 -0.255 3.405 116 H THR 15 HN THR 15 -8.040 3.718 2.593 117 HA THR 15 HA THR 15 -10.117 3.527 0.514 118 HB THR 15 HB THR 15 -10.111 5.400 2.892 119 HG1 THR 15 HG1 THR 15 -11.208 2.774 2.614 120 HG21 THR 15 HG21 THR 15 -12.332 4.406 1.095 121 HG22 THR 15 HG22 THR 15 -11.630 6.023 1.070 122 HG23 THR 15 HG23 THR 15 -12.536 5.476 2.481 123 H ARG 16 HN ARG 16 -7.180 4.894 1.160 124 HA ARG 16 HA ARG 16 -7.666 7.092 -0.738 125 HB2 ARG 16 HB2 ARG 16 -5.942 7.072 1.740 126 HB3 ARG 16 HB1 ARG 16 -5.745 8.265 0.467 127 HG2 ARG 16 HG2 ARG 16 -7.957 9.101 0.825 128 HG3 ARG 16 HG1 ARG 16 -8.303 7.805 1.973 129 HD2 ARG 16 HD2 ARG 16 -7.767 9.974 3.056 130 HD3 ARG 16 HD1 ARG 16 -6.686 8.669 3.522 131 HE ARG 16 HE ARG 16 -5.325 9.820 1.511 132 HH11 ARG 16 HH11 ARG 16 -5.801 12.510 4.466 133 HH12 ARG 16 HH12 ARG 16 -6.960 11.231 4.281 134 HH21 ARG 16 HH21 ARG 16 -4.011 12.661 3.035 135 HH22 ARG 16 HH22 ARG 16 -3.786 11.472 1.783 136 H SER 17 HN SER 17 -6.338 7.186 -2.451 137 HA SER 17 HA SER 17 -4.691 4.958 -3.053 138 HB2 SER 17 HB2 SER 17 -4.114 6.326 -5.099 139 HB3 SER 17 HB1 SER 17 -5.842 6.067 -4.846 140 HG SER 17 HG SER 17 -4.658 8.350 -5.183 141 H ASP 18 HN ASP 18 -4.069 8.254 -2.017 142 HA ASP 18 HA ASP 18 -1.254 8.188 -2.267 143 HB2 ASP 18 HB2 ASP 18 -1.235 10.174 -0.901 144 HB3 ASP 18 HB1 ASP 18 -2.609 10.275 -1.991 145 H GLU 19 HN GLU 19 -3.467 7.075 0.174 146 HA GLU 19 HA GLU 19 -1.544 6.633 2.223 147 HB2 GLU 19 HB2 GLU 19 -4.093 6.762 2.478 148 HB3 GLU 19 HB1 GLU 19 -4.124 5.111 1.882 149 HG2 GLU 19 HG2 GLU 19 -4.219 5.074 4.264 150 HG3 GLU 19 HG1 GLU 19 -2.652 4.452 3.749 151 H LEU 20 HN LEU 20 -2.992 4.663 -0.320 152 HA LEU 20 HA LEU 20 -1.651 2.259 0.210 153 HB2 LEU 20 HB2 LEU 20 -3.481 2.256 -1.313 154 HB3 LEU 20 HB1 LEU 20 -2.712 3.451 -2.342 155 HG LEU 20 HG LEU 20 -1.006 1.803 -2.990 156 HD11 LEU 20 HD11 LEU 20 -0.987 0.472 -0.951 157 HD12 LEU 20 HD12 LEU 20 -1.253 -0.536 -2.375 158 HD13 LEU 20 HD13 LEU 20 -2.607 -0.127 -1.321 159 HD21 LEU 20 HD21 LEU 20 -3.091 2.046 -4.291 160 HD22 LEU 20 HD22 LEU 20 -3.800 0.739 -3.342 161 HD23 LEU 20 HD23 LEU 20 -2.412 0.422 -4.377 162 H GLN 21 HN GLN 21 -0.739 4.983 -1.890 163 HA GLN 21 HA GLN 21 1.709 3.955 -2.787 164 HB2 GLN 21 HB2 GLN 21 0.898 6.826 -2.277 165 HB3 GLN 21 HB1 GLN 21 2.328 6.338 -3.176 166 HG2 GLN 21 HG2 GLN 21 1.008 5.360 -4.895 167 HG3 GLN 21 HG1 GLN 21 -0.466 5.553 -3.950 168 HE21 GLN 21 HE21 GLN 21 -1.468 6.727 -5.554 169 HE22 GLN 21 HE22 GLN 21 -1.034 8.364 -5.914 170 H ARG 22 HN ARG 22 0.947 6.002 -0.010 171 HA ARG 22 HA ARG 22 3.435 6.310 1.142 172 HB2 ARG 22 HB2 ARG 22 1.376 7.412 1.917 173 HB3 ARG 22 HB1 ARG 22 0.774 5.878 2.512 174 HG2 ARG 22 HG2 ARG 22 2.659 5.798 4.101 175 HG3 ARG 22 HG1 ARG 22 3.148 7.404 3.549 176 HD2 ARG 22 HD2 ARG 22 0.944 8.277 4.213 177 HD3 ARG 22 HD1 ARG 22 0.502 6.679 4.806 178 HE ARG 22 HE ARG 22 2.875 7.945 5.939 179 HH11 ARG 22 HH11 ARG 22 -0.484 7.236 8.034 180 HH12 ARG 22 HH12 ARG 22 -0.487 6.989 6.310 181 HH21 ARG 22 HH21 ARG 22 2.869 8.260 8.192 182 HH22 ARG 22 HH22 ARG 22 1.425 7.939 9.103 183 H HIS 23 HN HIS 23 1.068 3.737 1.795 184 HA HIS 23 HA HIS 23 2.667 2.209 3.510 185 HB2 HIS 23 HB2 HIS 23 0.390 1.677 3.549 186 HB3 HIS 23 HB1 HIS 23 0.271 1.617 1.795 187 HD1 HIS 23 HD1 HIS 23 1.002 -0.549 4.771 188 HD2 HIS 23 HD2 HIS 23 1.172 -0.754 0.610 189 HE1 HIS 23 HE1 HIS 23 1.426 -2.992 4.170 190 H LYS 24 HN LYS 24 2.271 2.068 -0.013 191 HA LYS 24 HA LYS 24 3.671 -0.311 -0.451 192 HB2 LYS 24 HB2 LYS 24 2.238 0.785 -2.130 193 HB3 LYS 24 HB1 LYS 24 3.429 2.066 -2.301 194 HG2 LYS 24 HG2 LYS 24 5.053 0.454 -3.143 195 HG3 LYS 24 HG1 LYS 24 3.870 -0.841 -2.957 196 HD2 LYS 24 HD2 LYS 24 3.431 1.588 -4.688 197 HD3 LYS 24 HD1 LYS 24 4.106 0.074 -5.288 198 HE2 LYS 24 HE2 LYS 24 1.407 0.340 -3.953 199 HE3 LYS 24 HE1 LYS 24 1.659 0.315 -5.698 200 HZ1 LYS 24 HZ1 LYS 24 1.042 -1.864 -4.897 201 HZ2 LYS 24 HZ2 LYS 24 2.339 -1.874 -3.812 202 HZ3 LYS 24 HZ3 LYS 24 2.633 -1.898 -5.473 203 H ARG 25 HN ARG 25 4.816 2.861 0.290 204 HA ARG 25 HA ARG 25 7.437 2.626 -0.738 205 HB2 ARG 25 HB2 ARG 25 6.427 4.255 1.593 206 HB3 ARG 25 HB1 ARG 25 8.011 4.437 0.852 207 HG2 ARG 25 HG2 ARG 25 6.930 5.009 -1.277 208 HG3 ARG 25 HG1 ARG 25 5.356 4.885 -0.496 209 HD2 ARG 25 HD2 ARG 25 5.980 6.689 1.039 210 HD3 ARG 25 HD1 ARG 25 7.561 6.797 0.266 211 HE ARG 25 HE ARG 25 5.805 7.139 -1.787 212 HH11 ARG 25 HH11 ARG 25 6.251 8.712 1.316 213 HH12 ARG 25 HH12 ARG 25 5.696 10.257 0.750 214 HH21 ARG 25 HH21 ARG 25 5.030 10.514 -1.435 215 HH22 ARG 25 HH22 ARG 25 5.095 9.170 -2.532 216 H THR 26 HN THR 26 5.952 1.017 1.871 217 HA THR 26 HA THR 26 8.374 0.558 3.354 218 HB THR 26 HB THR 26 7.096 -1.105 4.626 219 HG1 THR 26 HG1 THR 26 4.879 -0.453 2.949 220 HG21 THR 26 HG21 THR 26 5.459 0.401 5.602 221 HG22 THR 26 HG22 THR 26 5.533 1.436 4.178 222 HG23 THR 26 HG23 THR 26 6.942 1.276 5.226 223 H HIS 27 HN HIS 27 6.804 -0.875 0.630 224 HA HIS 27 HA HIS 27 8.491 -3.252 0.735 225 HB2 HIS 27 HB2 HIS 27 6.571 -2.407 -1.447 226 HB3 HIS 27 HB1 HIS 27 7.345 -3.974 -1.283 227 HD1 HIS 27 HD1 HIS 27 6.606 -5.127 1.287 228 HD2 HIS 27 HD2 HIS 27 4.047 -2.501 -0.695 229 HE1 HIS 27 HE1 HIS 27 4.257 -5.574 2.187 230 H THR 28 HN THR 28 7.895 -0.474 -1.374 231 HA THR 28 HA THR 28 10.693 -0.558 -2.181 232 HB THR 28 HB THR 28 9.649 -1.735 -3.979 233 HG1 THR 28 HG1 THR 28 11.188 -0.025 -4.503 234 HG21 THR 28 HG21 THR 28 7.685 0.552 -4.136 235 HG22 THR 28 HG22 THR 28 7.334 -1.117 -3.690 236 HG23 THR 28 HG23 THR 28 7.829 -0.731 -5.337 237 H GLY 29 HN GLY 29 11.147 1.242 -1.002 238 HA2 GLY 29 HA2 GLY 29 10.423 3.760 -2.191 239 HA3 GLY 29 HA1 GLY 29 9.725 3.522 -0.597 240 H GLU 30 HN GLU 30 12.861 3.017 -2.185 241 HA GLU 30 HA GLU 30 14.172 4.636 -0.164 242 HB2 GLU 30 HB2 GLU 30 15.807 2.808 0.363 243 HB3 GLU 30 HB1 GLU 30 14.175 2.488 0.943 244 HG2 GLU 30 HG2 GLU 30 13.803 1.067 -1.060 245 HG3 GLU 30 HG1 GLU 30 15.489 1.322 -1.504 246 H LYS 31 HN LYS 31 13.704 4.738 -3.043 247 HA LYS 31 HA LYS 31 16.275 4.107 -4.248 248 HB2 LYS 31 HB2 LYS 31 13.753 5.242 -5.473 249 HB3 LYS 31 HB1 LYS 31 15.187 4.759 -6.364 250 HG2 LYS 31 HG2 LYS 31 14.874 2.453 -5.629 251 HG3 LYS 31 HG1 LYS 31 13.438 2.934 -4.724 252 HD2 LYS 31 HD2 LYS 31 12.360 3.638 -6.797 253 HD3 LYS 31 HD1 LYS 31 13.803 3.190 -7.709 254 HE2 LYS 31 HE2 LYS 31 13.523 0.863 -7.019 255 HE3 LYS 31 HE1 LYS 31 12.096 1.305 -6.084 256 HZ1 LYS 31 HZ1 LYS 31 11.521 0.366 -8.241 257 HZ2 LYS 31 HZ2 LYS 31 12.373 1.597 -9.024 258 HZ3 LYS 31 HZ3 LYS 31 10.996 1.968 -8.118 259 HN1 NH2 32 HN1 NH2 32 14.186 6.933 -4.666 260 HN2 NH2 32 HN2 NH2 32 15.446 8.112 -4.516 Start of MODEL 4 1 H1 ARG 1 HT1 ARG 1 -13.655 4.365 -2.468 2 H2 ARG 1 HT2 ARG 1 -13.694 5.246 -3.910 3 H3 ARG 1 HT3 ARG 1 -12.301 5.255 -2.954 4 HA ARG 1 HA ARG 1 -13.423 2.914 -4.366 5 HB2 ARG 1 HB2 ARG 1 -12.328 4.599 -5.836 6 HB3 ARG 1 HB1 ARG 1 -10.872 4.464 -4.860 7 HG2 ARG 1 HG2 ARG 1 -10.785 2.042 -5.458 8 HG3 ARG 1 HG1 ARG 1 -12.121 2.330 -6.573 9 HD2 ARG 1 HD2 ARG 1 -9.388 3.607 -6.664 10 HD3 ARG 1 HD1 ARG 1 -10.019 2.391 -7.774 11 HE ARG 1 HE ARG 1 -11.797 4.450 -7.956 12 HH11 ARG 1 HH11 ARG 1 -8.223 5.429 -9.526 13 HH12 ARG 1 HH12 ARG 1 -8.335 4.137 -8.370 14 HH21 ARG 1 HH21 ARG 1 -10.120 6.563 -10.167 15 HH22 ARG 1 HH22 ARG 1 -11.663 6.136 -9.496 16 HA PRO 2 HA PRO 2 -10.999 0.757 -1.252 17 HB2 PRO 2 HB2 PRO 2 -11.496 -1.634 -2.856 18 HB3 PRO 2 HB1 PRO 2 -12.013 -1.272 -1.203 19 HG2 PRO 2 HG2 PRO 2 -13.748 -1.378 -3.281 20 HG3 PRO 2 HG1 PRO 2 -13.983 -0.300 -1.898 21 HD2 PRO 2 HD2 PRO 2 -12.932 0.332 -4.632 22 HD3 PRO 2 HD1 PRO 2 -14.037 1.268 -3.599 23 H PHE 3 HN PHE 3 -8.891 1.209 -1.530 24 HA PHE 3 HA PHE 3 -7.490 0.298 -3.931 25 HB2 PHE 3 HB2 PHE 3 -6.538 1.920 -1.557 26 HB3 PHE 3 HB1 PHE 3 -5.542 1.499 -2.938 27 HD1 PHE 3 HD1 PHE 3 -6.024 2.457 -5.153 28 HD2 PHE 3 HD2 PHE 3 -8.131 3.688 -1.669 29 HE1 PHE 3 HE1 PHE 3 -6.804 4.464 -6.338 30 HE2 PHE 3 HE2 PHE 3 -8.918 5.695 -2.849 31 HZ PHE 3 HZ PHE 3 -8.255 6.084 -5.188 32 H NLE 4 HN NLE 4 -5.874 -1.288 -3.877 33 HA NLE 4 HA NLE 4 -5.541 -2.680 -1.321 34 HB2 NLE 4 HB1 NLE 4 -6.300 -4.039 -3.913 35 HB3 NLE 4 HB2 NLE 4 -7.379 -3.776 -2.551 36 HG2 NLE 4 HG1 NLE 4 -5.888 -5.189 -1.159 37 HG3 NLE 4 HG2 NLE 4 -4.928 -5.525 -2.602 38 HD2 NLE 4 HD1 NLE 4 -6.880 -6.519 -3.686 39 HD3 NLE 4 HD2 NLE 4 -7.858 -6.169 -2.252 40 HE1 NLE 4 HE1 NLE 4 -5.430 -7.956 -2.344 41 HE2 NLE 4 HE2 NLE 4 -7.108 -8.493 -2.256 42 HE3 NLE 4 HE3 NLE 4 -6.397 -7.601 -0.912 43 H CYS 5 HN CYS 5 -3.524 -3.133 -0.918 44 HA CYS 5 HA CYS 5 -1.483 -2.839 -2.919 45 HB2 CYS 5 HB2 CYS 5 -0.956 -2.110 -0.689 46 HB3 CYS 5 HB1 CYS 5 -1.390 -3.677 -0.020 47 H THR 6 HN THR 6 -1.388 -4.381 -4.407 48 HA THR 6 HA THR 6 -1.970 -7.143 -3.712 49 HB THR 6 HB THR 6 -1.672 -7.455 -6.235 50 HG1 THR 6 HG1 THR 6 -0.694 -5.690 -7.008 51 HG21 THR 6 HG21 THR 6 -3.823 -5.593 -5.222 52 HG22 THR 6 HG22 THR 6 -3.867 -7.356 -5.176 53 HG23 THR 6 HG23 THR 6 -3.892 -6.511 -6.724 54 H TRP 7 HN TRP 7 0.570 -5.599 -3.016 55 HA TRP 7 HA TRP 7 2.695 -6.766 -4.479 56 HB2 TRP 7 HB2 TRP 7 2.754 -4.677 -3.005 57 HB3 TRP 7 HB1 TRP 7 2.841 -5.774 -1.634 58 HD1 TRP 7 HD1 TRP 7 4.911 -4.369 -4.475 59 HE1 TRP 7 HE1 TRP 7 7.374 -5.034 -4.143 60 HE3 TRP 7 HE3 TRP 7 4.338 -7.651 -0.609 61 HZ2 TRP 7 HZ2 TRP 7 8.873 -6.725 -2.453 62 HZ3 TRP 7 HZ3 TRP 7 6.339 -8.748 0.308 63 HH2 TRP 7 HH2 TRP 7 8.555 -8.295 -0.595 64 H NVA 8 HN NVX 8 2.922 -8.919 -4.560 65 HA NVA 8 HA NVX 8 3.098 -11.096 -3.958 66 HB2 NVA 8 HB1 NVX 8 4.261 -9.624 -1.622 67 HB3 NVA 8 HB2 NVX 8 5.087 -10.534 -2.878 68 HG2 NVA 8 HG1 NVX 8 5.191 -11.681 -0.746 69 HG3 NVA 8 HG2 NVX 8 4.251 -12.615 -1.921 70 HD1 NVA 8 HD NVX 8 3.232 -10.891 0.308 71 HA CYS 9 HA CYX 9 -0.203 -11.976 -0.974 72 HB2 CYS 9 HB2 CYX 9 0.605 -13.235 1.297 73 HB3 CYS 9 HB1 CYX 9 0.705 -13.982 -0.306 74 H CYS 10 HN CYS 10 1.125 -9.330 -0.330 75 HA CYS 10 HA CYS 10 0.763 -8.771 2.409 76 HB2 CYS 10 HB2 CYS 10 2.110 -7.358 0.936 77 HB3 CYS 10 HB1 CYS 10 0.673 -6.916 0.027 78 H GLY 11 HN GLY 11 -1.297 -7.701 -0.315 79 HA2 GLY 11 HA2 GLY 11 -3.556 -7.359 -0.445 80 HA3 GLY 11 HA1 GLY 11 -3.694 -8.686 0.693 81 H LYS 12 HN LYS 12 -2.584 -5.312 0.832 82 HA LYS 12 HA LYS 12 -4.204 -4.964 3.263 83 HB2 LYS 12 HB2 LYS 12 -1.763 -4.532 3.483 84 HB3 LYS 12 HB1 LYS 12 -1.891 -3.290 2.248 85 HG2 LYS 12 HG2 LYS 12 -1.832 -2.197 4.338 86 HG3 LYS 12 HG1 LYS 12 -3.494 -2.090 3.744 87 HD2 LYS 12 HD2 LYS 12 -4.135 -3.943 5.205 88 HD3 LYS 12 HD1 LYS 12 -2.469 -4.072 5.776 89 HE2 LYS 12 HE2 LYS 12 -2.587 -1.813 6.681 90 HE3 LYS 12 HE1 LYS 12 -4.236 -1.644 6.077 91 HZ1 LYS 12 HZ1 LYS 12 -3.338 -3.609 8.113 92 HZ2 LYS 12 HZ2 LYS 12 -4.920 -3.429 7.542 93 HZ3 LYS 12 HZ3 LYS 12 -4.197 -2.184 8.426 94 H ARG 13 HN ARG 13 -5.819 -3.424 3.303 95 HA ARG 13 HA ARG 13 -6.359 -2.183 0.690 96 HB2 ARG 13 HB2 ARG 13 -8.247 -3.200 2.807 97 HB3 ARG 13 HB1 ARG 13 -8.770 -2.220 1.444 98 HG2 ARG 13 HG2 ARG 13 -8.041 -3.900 -0.111 99 HG3 ARG 13 HG1 ARG 13 -7.342 -4.852 1.200 100 HD2 ARG 13 HD2 ARG 13 -10.266 -4.178 0.914 101 HD3 ARG 13 HD1 ARG 13 -9.533 -5.713 0.450 102 HE ARG 13 HE ARG 13 -8.809 -5.653 2.964 103 HH11 ARG 13 HH11 ARG 13 -11.889 -4.733 1.589 104 HH12 ARG 13 HH12 ARG 13 -12.791 -5.153 3.011 105 HH21 ARG 13 HH21 ARG 13 -9.994 -6.206 4.838 106 HH22 ARG 13 HH22 ARG 13 -11.714 -5.994 4.858 107 H PHE 14 HN PHE 14 -7.119 -0.117 0.543 108 HA PHE 14 HA PHE 14 -7.099 1.545 2.967 109 HB2 PHE 14 HB2 PHE 14 -5.692 2.309 0.397 110 HB3 PHE 14 HB1 PHE 14 -5.684 3.198 1.914 111 HD1 PHE 14 HD1 PHE 14 -4.213 0.529 0.007 112 HD2 PHE 14 HD2 PHE 14 -4.484 2.297 3.863 113 HE1 PHE 14 HE1 PHE 14 -2.170 -0.650 0.687 114 HE2 PHE 14 HE2 PHE 14 -2.442 1.116 4.551 115 HZ PHE 14 HZ PHE 14 -1.328 -0.416 2.980 116 H THR 15 HN THR 15 -8.092 3.669 2.586 117 HA THR 15 HA THR 15 -10.170 3.540 0.515 118 HB THR 15 HB THR 15 -11.247 5.371 1.880 119 HG1 THR 15 HG1 THR 15 -10.070 6.204 3.412 120 HG21 THR 15 HG21 THR 15 -10.726 2.750 3.295 121 HG22 THR 15 HG22 THR 15 -11.986 3.051 2.097 122 HG23 THR 15 HG23 THR 15 -12.042 3.867 3.659 123 H ARG 16 HN ARG 16 -7.229 4.942 1.223 124 HA ARG 16 HA ARG 16 -7.784 7.260 -0.502 125 HB2 ARG 16 HB2 ARG 16 -5.806 7.170 1.788 126 HB3 ARG 16 HB1 ARG 16 -6.206 8.569 0.806 127 HG2 ARG 16 HG2 ARG 16 -8.534 8.431 1.672 128 HG3 ARG 16 HG1 ARG 16 -8.002 7.146 2.756 129 HD2 ARG 16 HD2 ARG 16 -6.932 9.967 2.695 130 HD3 ARG 16 HD1 ARG 16 -8.058 9.320 3.883 131 HE ARG 16 HE ARG 16 -5.884 7.663 4.014 132 HH11 ARG 16 HH11 ARG 16 -5.120 11.332 5.464 133 HH12 ARG 16 HH12 ARG 16 -6.443 11.093 4.368 134 HH21 ARG 16 HH21 ARG 16 -3.810 9.568 6.097 135 HH22 ARG 16 HH22 ARG 16 -4.123 7.968 5.487 136 H SER 17 HN SER 17 -6.444 7.590 -2.172 137 HA SER 17 HA SER 17 -4.838 5.440 -3.059 138 HB2 SER 17 HB2 SER 17 -4.223 7.122 -4.895 139 HB3 SER 17 HB1 SER 17 -5.929 6.709 -4.725 140 HG SER 17 HG SER 17 -5.813 8.912 -4.865 141 H ASP 18 HN ASP 18 -4.039 8.624 -1.733 142 HA ASP 18 HA ASP 18 -1.238 8.421 -2.043 143 HB2 ASP 18 HB2 ASP 18 -2.886 10.005 -0.064 144 HB3 ASP 18 HB1 ASP 18 -1.140 10.147 -0.210 145 H GLU 19 HN GLU 19 -3.452 7.057 0.206 146 HA GLU 19 HA GLU 19 -1.570 6.477 2.273 147 HB2 GLU 19 HB2 GLU 19 -4.104 6.603 2.521 148 HB3 GLU 19 HB1 GLU 19 -4.165 5.027 1.748 149 HG2 GLU 19 HG2 GLU 19 -4.269 4.650 4.066 150 HG3 GLU 19 HG1 GLU 19 -2.644 4.196 3.553 151 H LEU 20 HN LEU 20 -3.017 4.675 -0.406 152 HA LEU 20 HA LEU 20 -1.689 2.241 -0.035 153 HB2 LEU 20 HB2 LEU 20 -3.493 2.358 -1.587 154 HB3 LEU 20 HB1 LEU 20 -2.699 3.615 -2.520 155 HG LEU 20 HG LEU 20 -0.958 1.972 -3.189 156 HD11 LEU 20 HD11 LEU 20 -2.748 -0.011 -1.797 157 HD12 LEU 20 HD12 LEU 20 -1.117 0.456 -1.303 158 HD13 LEU 20 HD13 LEU 20 -1.367 -0.408 -2.820 159 HD21 LEU 20 HD21 LEU 20 -3.775 1.118 -3.831 160 HD22 LEU 20 HD22 LEU 20 -2.334 0.759 -4.777 161 HD23 LEU 20 HD23 LEU 20 -2.895 2.423 -4.624 162 H GLN 21 HN GLN 21 -0.740 5.101 -1.914 163 HA GLN 21 HA GLN 21 1.686 4.070 -2.885 164 HB2 GLN 21 HB2 GLN 21 1.022 6.952 -2.244 165 HB3 GLN 21 HB1 GLN 21 2.326 6.402 -3.286 166 HG2 GLN 21 HG2 GLN 21 -0.624 6.093 -3.777 167 HG3 GLN 21 HG1 GLN 21 0.480 7.180 -4.616 168 HE21 GLN 21 HE21 GLN 21 -1.233 5.113 -5.687 169 HE22 GLN 21 HE22 GLN 21 -0.202 3.996 -6.520 170 H ARG 22 HN ARG 22 0.973 6.005 -0.004 171 HA ARG 22 HA ARG 22 3.534 6.220 1.058 172 HB2 ARG 22 HB2 ARG 22 1.621 7.457 1.930 173 HB3 ARG 22 HB1 ARG 22 0.872 5.965 2.465 174 HG2 ARG 22 HG2 ARG 22 2.660 5.632 4.085 175 HG3 ARG 22 HG1 ARG 22 3.432 7.124 3.537 176 HD2 ARG 22 HD2 ARG 22 0.643 6.961 4.679 177 HD3 ARG 22 HD1 ARG 22 2.075 7.407 5.608 178 HE ARG 22 HE ARG 22 2.299 9.318 4.042 179 HH11 ARG 22 HH11 ARG 22 -1.719 9.248 4.002 180 HH12 ARG 22 HH12 ARG 22 -0.854 7.801 4.436 181 HH21 ARG 22 HH21 ARG 22 1.143 11.190 3.477 182 HH22 ARG 22 HH22 ARG 22 -0.594 11.161 3.460 183 H HIS 23 HN HIS 23 1.077 3.724 1.595 184 HA HIS 23 HA HIS 23 2.555 2.156 3.382 185 HB2 HIS 23 HB2 HIS 23 0.255 1.692 3.314 186 HB3 HIS 23 HB1 HIS 23 0.235 1.587 1.558 187 HD1 HIS 23 HD1 HIS 23 0.792 -0.512 4.625 188 HD2 HIS 23 HD2 HIS 23 1.128 -0.821 0.480 189 HE1 HIS 23 HE1 HIS 23 1.242 -2.975 4.102 190 H LYS 24 HN LYS 24 2.226 1.925 -0.155 191 HA LYS 24 HA LYS 24 3.625 -0.487 -0.400 192 HB2 LYS 24 HB2 LYS 24 2.179 0.447 -2.167 193 HB3 LYS 24 HB1 LYS 24 3.376 1.701 -2.465 194 HG2 LYS 24 HG2 LYS 24 4.926 0.173 -3.325 195 HG3 LYS 24 HG1 LYS 24 4.050 -1.211 -2.673 196 HD2 LYS 24 HD2 LYS 24 3.755 -1.010 -5.092 197 HD3 LYS 24 HD1 LYS 24 2.229 -0.819 -4.231 198 HE2 LYS 24 HE2 LYS 24 2.304 1.566 -4.515 199 HE3 LYS 24 HE1 LYS 24 3.927 1.479 -5.198 200 HZ1 LYS 24 HZ1 LYS 24 2.271 1.733 -6.925 201 HZ2 LYS 24 HZ2 LYS 24 1.470 0.342 -6.408 202 HZ3 LYS 24 HZ3 LYS 24 3.025 0.226 -7.063 203 H ARG 25 HN ARG 25 4.798 2.715 0.128 204 HA ARG 25 HA ARG 25 7.415 2.310 -0.891 205 HB2 ARG 25 HB2 ARG 25 6.464 4.220 1.237 206 HB3 ARG 25 HB1 ARG 25 8.057 4.255 0.495 207 HG2 ARG 25 HG2 ARG 25 6.917 4.566 -1.715 208 HG3 ARG 25 HG1 ARG 25 5.408 4.773 -0.827 209 HD2 ARG 25 HD2 ARG 25 6.331 6.937 -1.297 210 HD3 ARG 25 HD1 ARG 25 6.465 6.626 0.432 211 HE ARG 25 HE ARG 25 8.742 6.206 -1.387 212 HH11 ARG 25 HH11 ARG 25 7.352 7.717 1.458 213 HH12 ARG 25 HH12 ARG 25 8.868 8.350 2.013 214 HH21 ARG 25 HH21 ARG 25 10.785 7.975 0.803 215 HH22 ARG 25 HH22 ARG 25 10.720 7.048 -0.664 216 H THR 26 HN THR 26 5.865 0.977 1.810 217 HA THR 26 HA THR 26 8.234 0.596 3.391 218 HB THR 26 HB THR 26 6.912 -1.007 4.700 219 HG1 THR 26 HG1 THR 26 4.776 -0.467 2.885 220 HG21 THR 26 HG21 THR 26 5.378 1.514 4.059 221 HG22 THR 26 HG22 THR 26 6.708 1.380 5.208 222 HG23 THR 26 HG23 THR 26 5.192 0.534 5.514 223 H HIS 27 HN HIS 27 6.718 -0.996 0.718 224 HA HIS 27 HA HIS 27 8.437 -3.342 0.950 225 HB2 HIS 27 HB2 HIS 27 6.586 -2.592 -1.323 226 HB3 HIS 27 HB1 HIS 27 7.350 -4.151 -1.064 227 HD1 HIS 27 HD1 HIS 27 6.482 -5.221 1.497 228 HD2 HIS 27 HD2 HIS 27 4.051 -2.622 -0.675 229 HE1 HIS 27 HE1 HIS 27 4.090 -5.618 2.293 230 H THR 28 HN THR 28 7.739 -0.854 -1.467 231 HA THR 28 HA THR 28 10.497 -1.118 -2.449 232 HB THR 28 HB THR 28 9.490 -0.434 -4.694 233 HG1 THR 28 HG1 THR 28 7.414 0.165 -3.746 234 HG21 THR 28 HG21 THR 28 10.274 -2.699 -4.309 235 HG22 THR 28 HG22 THR 28 8.760 -2.750 -5.212 236 HG23 THR 28 HG23 THR 28 8.769 -3.109 -3.483 237 H GLY 29 HN GLY 29 10.739 0.648 -0.762 238 HA2 GLY 29 HA2 GLY 29 9.832 3.273 -1.531 239 HA3 GLY 29 HA1 GLY 29 11.012 2.903 -0.279 240 H GLU 30 HN GLU 30 12.722 1.345 -1.893 241 HA GLU 30 HA GLU 30 14.507 1.465 -3.283 242 HB2 GLU 30 HB2 GLU 30 12.699 3.232 -4.939 243 HB3 GLU 30 HB1 GLU 30 14.111 2.357 -5.515 244 HG2 GLU 30 HG2 GLU 30 11.517 1.187 -4.530 245 HG3 GLU 30 HG1 GLU 30 12.142 1.173 -6.177 246 H LYS 31 HN LYS 31 14.279 3.496 -1.177 247 HA LYS 31 HA LYS 31 16.178 5.412 -2.330 248 HB2 LYS 31 HB2 LYS 31 13.881 6.023 -0.474 249 HB3 LYS 31 HB1 LYS 31 15.248 7.105 -0.666 250 HG2 LYS 31 HG2 LYS 31 14.735 7.251 -3.082 251 HG3 LYS 31 HG1 LYS 31 13.299 6.266 -2.801 252 HD2 LYS 31 HD2 LYS 31 12.388 7.942 -1.318 253 HD3 LYS 31 HD1 LYS 31 13.867 8.897 -1.438 254 HE2 LYS 31 HE2 LYS 31 13.448 9.224 -3.837 255 HE3 LYS 31 HE1 LYS 31 11.960 8.287 -3.699 256 HZ1 LYS 31 HZ1 LYS 31 11.573 10.693 -3.637 257 HZ2 LYS 31 HZ2 LYS 31 12.516 10.815 -2.240 258 HZ3 LYS 31 HZ3 LYS 31 11.068 9.941 -2.210 259 HN1 NH2 32 HN1 NH2 32 14.894 5.035 0.935 260 HN2 NH2 32 HN2 NH2 32 16.401 4.601 1.674 Start of MODEL 5 1 H1 ARG 1 HT1 ARG 1 -13.827 3.215 -1.857 2 H2 ARG 1 HT2 ARG 1 -14.136 4.300 -3.111 3 H3 ARG 1 HT3 ARG 1 -12.727 4.451 -2.191 4 HA ARG 1 HA ARG 1 -13.401 2.225 -4.012 5 HB2 ARG 1 HB2 ARG 1 -11.278 4.376 -4.182 6 HB3 ARG 1 HB1 ARG 1 -11.429 3.022 -5.290 7 HG2 ARG 1 HG2 ARG 1 -13.632 3.843 -5.978 8 HG3 ARG 1 HG1 ARG 1 -13.447 5.219 -4.889 9 HD2 ARG 1 HD2 ARG 1 -11.435 5.907 -6.135 10 HD3 ARG 1 HD1 ARG 1 -11.676 4.553 -7.239 11 HE ARG 1 HE ARG 1 -13.981 6.229 -7.071 12 HH11 ARG 1 HH11 ARG 1 -11.249 6.902 -9.935 13 HH12 ARG 1 HH12 ARG 1 -10.824 5.936 -8.557 14 HH21 ARG 1 HH21 ARG 1 -13.353 7.770 -10.135 15 HH22 ARG 1 HH22 ARG 1 -14.547 7.471 -8.909 16 HA PRO 2 HA PRO 2 -10.617 0.093 -1.281 17 HB2 PRO 2 HB2 PRO 2 -10.622 -2.302 -2.511 18 HB3 PRO 2 HB1 PRO 2 -12.009 -1.714 -1.580 19 HG2 PRO 2 HG2 PRO 2 -11.601 -1.811 -4.530 20 HG3 PRO 2 HG1 PRO 2 -13.078 -2.073 -3.594 21 HD2 PRO 2 HD2 PRO 2 -12.420 0.273 -4.921 22 HD3 PRO 2 HD1 PRO 2 -13.601 0.145 -3.600 23 H PHE 3 HN PHE 3 -8.698 1.196 -1.675 24 HA PHE 3 HA PHE 3 -7.059 0.480 -3.958 25 HB2 PHE 3 HB2 PHE 3 -6.457 2.168 -1.521 26 HB3 PHE 3 HB1 PHE 3 -5.378 1.964 -2.892 27 HD1 PHE 3 HD1 PHE 3 -6.242 2.691 -5.192 28 HD2 PHE 3 HD2 PHE 3 -8.063 3.829 -1.523 29 HE1 PHE 3 HE1 PHE 3 -7.330 4.583 -6.326 30 HE2 PHE 3 HE2 PHE 3 -9.159 5.719 -2.648 31 HZ PHE 3 HZ PHE 3 -8.807 6.065 -5.102 32 H NLE 4 HN NLE 4 -6.302 -1.548 -3.918 33 HA NLE 4 HA NLE 4 -5.529 -2.669 -1.318 34 HB2 NLE 4 HB1 NLE 4 -6.296 -4.106 -3.865 35 HB3 NLE 4 HB2 NLE 4 -7.367 -3.816 -2.502 36 HG2 NLE 4 HG1 NLE 4 -5.865 -5.175 -1.082 37 HG3 NLE 4 HG2 NLE 4 -4.889 -5.528 -2.511 38 HD2 NLE 4 HD1 NLE 4 -6.805 -6.595 -3.579 39 HD3 NLE 4 HD2 NLE 4 -7.814 -6.206 -2.178 40 HE1 NLE 4 HE1 NLE 4 -7.039 -8.517 -2.084 41 HE2 NLE 4 HE2 NLE 4 -6.363 -7.570 -0.759 42 HE3 NLE 4 HE3 NLE 4 -5.367 -7.966 -2.160 43 H CYS 5 HN CYS 5 -3.519 -3.189 -0.925 44 HA CYS 5 HA CYS 5 -1.484 -2.932 -2.948 45 HB2 CYS 5 HB2 CYS 5 -1.000 -2.152 -0.695 46 HB3 CYS 5 HB1 CYS 5 -1.338 -3.749 -0.041 47 H THR 6 HN THR 6 -1.388 -4.523 -4.390 48 HA THR 6 HA THR 6 -1.964 -7.267 -3.610 49 HB THR 6 HB THR 6 -1.722 -7.648 -6.124 50 HG1 THR 6 HG1 THR 6 -2.210 -5.269 -7.017 51 HG21 THR 6 HG21 THR 6 -3.912 -7.466 -5.064 52 HG22 THR 6 HG22 THR 6 -3.922 -6.648 -6.627 53 HG23 THR 6 HG23 THR 6 -3.820 -5.707 -5.140 54 H TRP 7 HN TRP 7 0.600 -5.720 -2.991 55 HA TRP 7 HA TRP 7 2.694 -6.913 -4.477 56 HB2 TRP 7 HB2 TRP 7 2.811 -4.814 -3.027 57 HB3 TRP 7 HB1 TRP 7 2.898 -5.895 -1.645 58 HD1 TRP 7 HD1 TRP 7 4.944 -4.604 -4.564 59 HE1 TRP 7 HE1 TRP 7 7.402 -5.296 -4.248 60 HE3 TRP 7 HE3 TRP 7 4.387 -7.741 -0.573 61 HZ2 TRP 7 HZ2 TRP 7 8.903 -6.951 -2.520 62 HZ3 TRP 7 HZ3 TRP 7 6.385 -8.836 0.352 63 HH2 TRP 7 HH2 TRP 7 8.593 -8.450 -0.602 64 H NVA 8 HN NVX 8 2.869 -9.081 -4.552 65 HA NVA 8 HA NVX 8 3.010 -11.254 -3.935 66 HB2 NVA 8 HB1 NVX 8 4.311 -9.799 -1.661 67 HB3 NVA 8 HB2 NVX 8 5.060 -10.728 -2.951 68 HG2 NVA 8 HG1 NVX 8 5.229 -11.887 -0.830 69 HG3 NVA 8 HG2 NVX 8 4.200 -12.789 -1.953 70 HD1 NVA 8 HD NVX 8 3.355 -11.027 0.316 71 HA CYS 9 HA CYX 9 -0.172 -12.018 -0.806 72 HB2 CYS 9 HB2 CYX 9 0.712 -13.240 1.471 73 HB3 CYS 9 HB1 CYX 9 0.686 -14.036 -0.111 74 H CYS 10 HN CYS 10 1.012 -9.358 -0.387 75 HA CYS 10 HA CYS 10 0.798 -8.707 2.375 76 HB2 CYS 10 HB2 CYS 10 2.065 -7.353 0.729 77 HB3 CYS 10 HB1 CYS 10 0.550 -6.893 -0.030 78 H GLY 11 HN GLY 11 -1.331 -7.624 -0.297 79 HA2 GLY 11 HA2 GLY 11 -3.603 -7.389 -0.413 80 HA3 GLY 11 HA1 GLY 11 -3.686 -8.722 0.724 81 H LYS 12 HN LYS 12 -2.980 -5.237 0.672 82 HA LYS 12 HA LYS 12 -4.578 -4.988 3.131 83 HB2 LYS 12 HB2 LYS 12 -2.069 -4.720 3.436 84 HB3 LYS 12 HB1 LYS 12 -2.186 -3.279 2.437 85 HG2 LYS 12 HG2 LYS 12 -3.531 -2.169 4.039 86 HG3 LYS 12 HG1 LYS 12 -3.754 -3.656 4.973 87 HD2 LYS 12 HD2 LYS 12 -1.360 -3.707 5.460 88 HD3 LYS 12 HD1 LYS 12 -1.133 -2.219 4.542 89 HE2 LYS 12 HE2 LYS 12 -2.591 -1.033 6.113 90 HE3 LYS 12 HE1 LYS 12 -2.831 -2.526 7.019 91 HZ1 LYS 12 HZ1 LYS 12 -0.245 -1.112 6.648 92 HZ2 LYS 12 HZ2 LYS 12 -0.450 -2.570 7.479 93 HZ3 LYS 12 HZ3 LYS 12 -1.164 -1.156 8.066 94 H ARG 13 HN ARG 13 -6.161 -3.471 3.058 95 HA ARG 13 HA ARG 13 -6.423 -2.052 0.496 96 HB2 ARG 13 HB2 ARG 13 -8.558 -2.939 2.440 97 HB3 ARG 13 HB1 ARG 13 -8.857 -2.056 0.951 98 HG2 ARG 13 HG2 ARG 13 -8.012 -3.906 -0.353 99 HG3 ARG 13 HG1 ARG 13 -7.605 -4.784 1.123 100 HD2 ARG 13 HD2 ARG 13 -9.973 -4.810 1.749 101 HD3 ARG 13 HD1 ARG 13 -10.374 -3.940 0.271 102 HE ARG 13 HE ARG 13 -9.635 -5.905 -0.970 103 HH11 ARG 13 HH11 ARG 13 -10.227 -6.326 2.456 104 HH12 ARG 13 HH12 ARG 13 -10.573 -8.019 2.320 105 HH21 ARG 13 HH21 ARG 13 -10.088 -8.140 -1.149 106 HH22 ARG 13 HH22 ARG 13 -10.500 -9.049 0.268 107 H PHE 14 HN PHE 14 -6.914 0.073 0.405 108 HA PHE 14 HA PHE 14 -7.156 1.568 2.933 109 HB2 PHE 14 HB2 PHE 14 -5.559 2.449 0.516 110 HB3 PHE 14 HB1 PHE 14 -5.686 3.292 2.054 111 HD1 PHE 14 HD1 PHE 14 -4.126 0.567 0.239 112 HD2 PHE 14 HD2 PHE 14 -4.548 2.452 4.027 113 HE1 PHE 14 HE1 PHE 14 -2.151 -0.650 1.058 114 HE2 PHE 14 HE2 PHE 14 -2.576 1.241 4.854 115 HZ PHE 14 HZ PHE 14 -1.378 -0.310 3.367 116 H THR 15 HN THR 15 -8.243 3.638 2.696 117 HA THR 15 HA THR 15 -10.183 3.619 0.504 118 HB THR 15 HB THR 15 -11.169 3.832 2.706 119 HG1 THR 15 HG1 THR 15 -11.276 6.009 0.941 120 HG21 THR 15 HG21 THR 15 -10.722 5.770 4.153 121 HG22 THR 15 HG22 THR 15 -9.471 6.306 3.035 122 HG23 THR 15 HG23 THR 15 -9.275 4.792 3.912 123 H ARG 16 HN ARG 16 -7.229 4.941 1.169 124 HA ARG 16 HA ARG 16 -7.707 7.170 -0.688 125 HB2 ARG 16 HB2 ARG 16 -5.926 7.188 1.761 126 HB3 ARG 16 HB1 ARG 16 -5.970 8.460 0.553 127 HG2 ARG 16 HG2 ARG 16 -8.291 8.922 1.095 128 HG3 ARG 16 HG1 ARG 16 -8.282 7.611 2.274 129 HD2 ARG 16 HD2 ARG 16 -6.617 10.123 2.369 130 HD3 ARG 16 HD1 ARG 16 -7.996 9.744 3.393 131 HE ARG 16 HE ARG 16 -5.343 8.497 3.509 132 HH11 ARG 16 HH11 ARG 16 -8.136 8.210 6.381 133 HH12 ARG 16 HH12 ARG 16 -8.533 8.965 4.873 134 HH21 ARG 16 HH21 ARG 16 -6.018 7.400 6.746 135 HH22 ARG 16 HH22 ARG 16 -4.799 7.535 5.507 136 H SER 17 HN SER 17 -6.285 7.354 -2.329 137 HA SER 17 HA SER 17 -4.586 5.139 -2.886 138 HB2 SER 17 HB2 SER 17 -3.976 6.560 -4.914 139 HB3 SER 17 HB1 SER 17 -5.680 6.141 -4.742 140 HG SER 17 HG SER 17 -4.830 8.492 -5.126 141 H ASP 18 HN ASP 18 -4.100 8.399 -1.709 142 HA ASP 18 HA ASP 18 -1.288 8.482 -1.902 143 HB2 ASP 18 HB2 ASP 18 -3.067 9.817 0.154 144 HB3 ASP 18 HB1 ASP 18 -1.388 10.225 -0.165 145 H GLU 19 HN GLU 19 -3.479 7.086 0.416 146 HA GLU 19 HA GLU 19 -1.535 6.525 2.421 147 HB2 GLU 19 HB2 GLU 19 -4.087 6.681 2.687 148 HB3 GLU 19 HB1 GLU 19 -4.134 5.054 2.028 149 HG2 GLU 19 HG2 GLU 19 -4.220 4.922 4.407 150 HG3 GLU 19 HG1 GLU 19 -2.656 4.315 3.865 151 H LEU 20 HN LEU 20 -3.015 4.719 -0.234 152 HA LEU 20 HA LEU 20 -1.691 2.277 0.169 153 HB2 LEU 20 HB2 LEU 20 -3.518 2.362 -1.360 154 HB3 LEU 20 HB1 LEU 20 -2.732 3.590 -2.335 155 HG LEU 20 HG LEU 20 -1.003 1.935 -2.988 156 HD11 LEU 20 HD11 LEU 20 -1.129 0.476 -1.045 157 HD12 LEU 20 HD12 LEU 20 -1.378 -0.434 -2.536 158 HD13 LEU 20 HD13 LEU 20 -2.756 -0.025 -1.516 159 HD21 LEU 20 HD21 LEU 20 -2.360 0.715 -4.543 160 HD22 LEU 20 HD22 LEU 20 -3.035 2.334 -4.360 161 HD23 LEU 20 HD23 LEU 20 -3.795 0.962 -3.555 162 H GLN 21 HN GLN 21 -0.775 5.084 -1.819 163 HA GLN 21 HA GLN 21 1.645 4.035 -2.781 164 HB2 GLN 21 HB2 GLN 21 0.521 6.059 -3.672 165 HB3 GLN 21 HB1 GLN 21 0.977 6.929 -2.214 166 HG2 GLN 21 HG2 GLN 21 2.466 7.457 -4.052 167 HG3 GLN 21 HG1 GLN 21 3.330 6.632 -2.756 168 HE21 GLN 21 HE21 GLN 21 2.088 6.376 -5.994 169 HE22 GLN 21 HE22 GLN 21 2.982 4.961 -6.437 170 H ARG 22 HN ARG 22 0.930 6.004 0.065 171 HA ARG 22 HA ARG 22 3.466 6.289 1.145 172 HB2 ARG 22 HB2 ARG 22 1.439 7.389 2.012 173 HB3 ARG 22 HB1 ARG 22 0.840 5.843 2.578 174 HG2 ARG 22 HG2 ARG 22 2.768 5.696 4.113 175 HG3 ARG 22 HG1 ARG 22 3.256 7.313 3.595 176 HD2 ARG 22 HD2 ARG 22 1.079 8.185 4.332 177 HD3 ARG 22 HD1 ARG 22 0.628 6.575 4.882 178 HE ARG 22 HE ARG 22 3.042 7.722 6.032 179 HH11 ARG 22 HH11 ARG 22 -0.389 7.277 8.079 180 HH12 ARG 22 HH12 ARG 22 -0.369 7.000 6.362 181 HH21 ARG 22 HH21 ARG 22 3.018 8.088 8.297 182 HH22 ARG 22 HH22 ARG 22 1.533 7.890 9.177 183 H HIS 23 HN HIS 23 1.078 3.730 1.763 184 HA HIS 23 HA HIS 23 2.669 2.122 3.406 185 HB2 HIS 23 HB2 HIS 23 0.364 1.629 3.404 186 HB3 HIS 23 HB1 HIS 23 0.291 1.567 1.647 187 HD1 HIS 23 HD1 HIS 23 1.140 -0.574 4.643 188 HD2 HIS 23 HD2 HIS 23 1.092 -0.805 0.474 189 HE1 HIS 23 HE1 HIS 23 1.578 -3.015 4.033 190 H LYS 24 HN LYS 24 2.239 2.111 -0.102 191 HA LYS 24 HA LYS 24 3.584 -0.237 -0.712 192 HB2 LYS 24 HB2 LYS 24 2.234 1.176 -2.283 193 HB3 LYS 24 HB1 LYS 24 3.596 2.281 -2.380 194 HG2 LYS 24 HG2 LYS 24 3.625 0.864 -4.294 195 HG3 LYS 24 HG1 LYS 24 4.976 0.415 -3.253 196 HD2 LYS 24 HD2 LYS 24 3.718 -1.475 -2.397 197 HD3 LYS 24 HD1 LYS 24 2.313 -1.000 -3.349 198 HE2 LYS 24 HE2 LYS 24 4.994 -1.830 -4.459 199 HE3 LYS 24 HE1 LYS 24 3.545 -2.833 -4.405 200 HZ1 LYS 24 HZ1 LYS 24 2.438 -1.212 -5.831 201 HZ2 LYS 24 HZ2 LYS 24 3.811 -1.853 -6.575 202 HZ3 LYS 24 HZ3 LYS 24 3.858 -0.298 -5.917 203 H ARG 25 HN ARG 25 4.849 2.901 0.143 204 HA ARG 25 HA ARG 25 7.471 2.523 -0.840 205 HB2 ARG 25 HB2 ARG 25 6.401 4.308 1.330 206 HB3 ARG 25 HB1 ARG 25 8.081 4.327 0.816 207 HG2 ARG 25 HG2 ARG 25 7.359 4.883 -1.468 208 HG3 ARG 25 HG1 ARG 25 5.687 4.927 -0.907 209 HD2 ARG 25 HD2 ARG 25 6.237 6.734 0.628 210 HD3 ARG 25 HD1 ARG 25 7.923 6.663 0.128 211 HE ARG 25 HE ARG 25 6.759 7.150 -2.200 212 HH11 ARG 25 HH11 ARG 25 6.143 8.565 0.938 213 HH12 ARG 25 HH12 ARG 25 5.671 10.105 0.297 214 HH21 ARG 25 HH21 ARG 25 5.683 10.462 -1.971 215 HH22 ARG 25 HH22 ARG 25 6.171 9.195 -3.051 216 H THR 26 HN THR 26 5.905 0.980 1.726 217 HA THR 26 HA THR 26 8.221 0.509 3.343 218 HB THR 26 HB THR 26 6.901 -1.249 4.435 219 HG1 THR 26 HG1 THR 26 4.741 -0.618 2.700 220 HG21 THR 26 HG21 THR 26 6.557 1.056 5.166 221 HG22 THR 26 HG22 THR 26 5.057 0.138 5.274 222 HG23 THR 26 HG23 THR 26 5.303 1.268 3.944 223 H HIS 27 HN HIS 27 6.711 -1.029 0.583 224 HA HIS 27 HA HIS 27 8.491 -3.320 0.681 225 HB2 HIS 27 HB2 HIS 27 6.609 -2.499 -1.541 226 HB3 HIS 27 HB1 HIS 27 7.391 -4.059 -1.355 227 HD1 HIS 27 HD1 HIS 27 6.569 -5.300 1.121 228 HD2 HIS 27 HD2 HIS 27 4.097 -2.513 -0.755 229 HE1 HIS 27 HE1 HIS 27 4.202 -5.719 1.983 230 H THR 28 HN THR 28 8.037 -0.364 -1.163 231 HA THR 28 HA THR 28 10.817 -0.273 -1.842 232 HB THR 28 HB THR 28 9.996 -1.760 -3.626 233 HG1 THR 28 HG1 THR 28 10.793 -0.472 -5.379 234 HG21 THR 28 HG21 THR 28 7.683 -1.040 -3.778 235 HG22 THR 28 HG22 THR 28 8.462 -0.881 -5.353 236 HG23 THR 28 HG23 THR 28 8.190 0.547 -4.355 237 H GLY 29 HN GLY 29 11.471 1.795 -2.158 238 HA2 GLY 29 HA2 GLY 29 9.698 3.768 -1.130 239 HA3 GLY 29 HA1 GLY 29 11.356 4.029 -1.634 240 H GLU 30 HN GLU 30 11.009 3.166 -4.357 241 HA GLU 30 HA GLU 30 8.912 4.736 -5.520 242 HB2 GLU 30 HB2 GLU 30 10.586 6.475 -4.860 243 HB3 GLU 30 HB1 GLU 30 11.767 5.680 -5.891 244 HG2 GLU 30 HG2 GLU 30 10.740 7.649 -6.942 245 HG3 GLU 30 HG1 GLU 30 10.467 6.163 -7.851 246 H LYS 31 HN LYS 31 8.714 4.407 -7.754 247 HA LYS 31 HA LYS 31 10.627 2.806 -9.187 248 HB2 LYS 31 HB2 LYS 31 9.429 1.072 -7.889 249 HB3 LYS 31 HB1 LYS 31 7.904 1.638 -8.553 250 HG2 LYS 31 HG2 LYS 31 8.723 1.061 -10.817 251 HG3 LYS 31 HG1 LYS 31 10.177 0.390 -10.079 252 HD2 LYS 31 HD2 LYS 31 7.362 -0.531 -9.509 253 HD3 LYS 31 HD1 LYS 31 8.479 -1.328 -10.619 254 HE2 LYS 31 HE2 LYS 31 10.019 -1.761 -8.785 255 HE3 LYS 31 HE1 LYS 31 8.955 -0.911 -7.666 256 HZ1 LYS 31 HZ1 LYS 31 8.658 -3.290 -7.498 257 HZ2 LYS 31 HZ2 LYS 31 8.292 -3.398 -9.145 258 HZ3 LYS 31 HZ3 LYS 31 7.248 -2.574 -8.100 259 HN1 NH2 32 HN1 NH2 32 10.637 4.366 -10.725 260 HN2 NH2 32 HN2 NH2 32 9.271 4.787 -11.702 Start of MODEL 6 1 H1 ARG 1 HT1 ARG 1 -12.098 4.692 -3.521 2 H2 ARG 1 HT2 ARG 1 -13.465 3.793 -3.097 3 H3 ARG 1 HT3 ARG 1 -13.351 4.479 -4.636 4 HA ARG 1 HA ARG 1 -12.929 2.121 -4.723 5 HB2 ARG 1 HB2 ARG 1 -11.758 3.641 -6.297 6 HB3 ARG 1 HB1 ARG 1 -10.425 3.763 -5.156 7 HG2 ARG 1 HG2 ARG 1 -10.175 1.265 -5.351 8 HG3 ARG 1 HG1 ARG 1 -11.323 1.339 -6.687 9 HD2 ARG 1 HD2 ARG 1 -8.652 2.732 -6.532 10 HD3 ARG 1 HD1 ARG 1 -9.052 1.338 -7.533 11 HE ARG 1 HE ARG 1 -10.835 3.327 -8.240 12 HH11 ARG 1 HH11 ARG 1 -7.101 3.890 -9.619 13 HH12 ARG 1 HH12 ARG 1 -7.372 2.846 -8.263 14 HH21 ARG 1 HH21 ARG 1 -8.887 4.943 -10.636 15 HH22 ARG 1 HH22 ARG 1 -10.493 4.700 -10.034 16 HA PRO 2 HA PRO 2 -10.557 0.545 -1.231 17 HB2 PRO 2 HB2 PRO 2 -10.760 -2.093 -2.386 18 HB3 PRO 2 HB1 PRO 2 -11.578 -1.459 -0.954 19 HG2 PRO 2 HG2 PRO 2 -12.863 -2.111 -3.286 20 HG3 PRO 2 HG1 PRO 2 -13.465 -0.920 -2.126 21 HD2 PRO 2 HD2 PRO 2 -12.004 -0.483 -4.703 22 HD3 PRO 2 HD1 PRO 2 -13.360 0.427 -4.002 23 H PHE 3 HN PHE 3 -8.530 1.309 -1.685 24 HA PHE 3 HA PHE 3 -7.001 0.347 -3.930 25 HB2 PHE 3 HB2 PHE 3 -6.228 2.085 -1.575 26 HB3 PHE 3 HB1 PHE 3 -5.198 1.762 -2.960 27 HD1 PHE 3 HD1 PHE 3 -5.854 2.607 -5.208 28 HD2 PHE 3 HD2 PHE 3 -7.940 3.704 -1.666 29 HE1 PHE 3 HE1 PHE 3 -6.846 4.520 -6.390 30 HE2 PHE 3 HE2 PHE 3 -8.940 5.617 -2.844 31 HZ PHE 3 HZ PHE 3 -8.405 6.010 -5.230 32 H NLE 4 HN NLE 4 -6.280 -1.682 -3.856 33 HA NLE 4 HA NLE 4 -5.547 -2.783 -1.230 34 HB2 NLE 4 HB1 NLE 4 -6.435 -4.246 -3.720 35 HB3 NLE 4 HB2 NLE 4 -7.457 -3.875 -2.340 36 HG2 NLE 4 HG1 NLE 4 -5.969 -5.266 -0.924 37 HG3 NLE 4 HG2 NLE 4 -5.066 -5.704 -2.375 38 HD2 NLE 4 HD1 NLE 4 -7.082 -6.685 -3.347 39 HD3 NLE 4 HD2 NLE 4 -8.002 -6.230 -1.904 40 HE1 NLE 4 HE1 NLE 4 -5.641 -8.103 -1.980 41 HE2 NLE 4 HE2 NLE 4 -7.332 -8.573 -1.811 42 HE3 NLE 4 HE3 NLE 4 -6.545 -7.642 -0.538 43 H CYS 5 HN CYS 5 -3.503 -3.016 -0.871 44 HA CYS 5 HA CYS 5 -1.497 -2.894 -2.860 45 HB2 CYS 5 HB2 CYS 5 -1.056 -2.200 -0.560 46 HB3 CYS 5 HB1 CYS 5 -1.338 -3.841 0.007 47 H THR 6 HN THR 6 -1.576 -4.429 -4.386 48 HA THR 6 HA THR 6 -2.042 -7.211 -3.662 49 HB THR 6 HB THR 6 -1.527 -6.230 -6.461 50 HG1 THR 6 HG1 THR 6 -3.351 -5.173 -4.908 51 HG21 THR 6 HG21 THR 6 -3.107 -8.016 -7.036 52 HG22 THR 6 HG22 THR 6 -3.337 -8.372 -5.326 53 HG23 THR 6 HG23 THR 6 -1.768 -8.650 -6.079 54 H TRP 7 HN TRP 7 0.421 -5.862 -2.875 55 HA TRP 7 HA TRP 7 2.525 -6.872 -4.553 56 HB2 TRP 7 HB2 TRP 7 2.633 -4.766 -3.103 57 HB3 TRP 7 HB1 TRP 7 2.795 -5.848 -1.729 58 HD1 TRP 7 HD1 TRP 7 4.716 -4.480 -4.696 59 HE1 TRP 7 HE1 TRP 7 7.198 -5.129 -4.471 60 HE3 TRP 7 HE3 TRP 7 4.353 -7.681 -0.735 61 HZ2 TRP 7 HZ2 TRP 7 8.786 -6.777 -2.818 62 HZ3 TRP 7 HZ3 TRP 7 6.403 -8.751 0.108 63 HH2 TRP 7 HH2 TRP 7 8.571 -8.309 -0.912 64 H NVA 8 HN NVX 8 2.823 -9.023 -4.614 65 HA NVA 8 HA NVX 8 3.000 -11.195 -3.990 66 HB2 NVA 8 HB1 NVX 8 4.263 -9.689 -1.728 67 HB3 NVA 8 HB2 NVX 8 5.032 -10.625 -2.999 68 HG2 NVA 8 HG1 NVX 8 5.218 -11.736 -0.852 69 HG3 NVA 8 HG2 NVX 8 4.231 -12.685 -1.973 70 HD1 NVA 8 HD NVX 8 3.314 -10.927 0.268 71 HA CYS 9 HA CYX 9 -0.184 -11.988 -0.856 72 HB2 CYS 9 HB2 CYX 9 0.707 -13.240 1.385 73 HB3 CYS 9 HB1 CYX 9 0.743 -14.000 -0.214 74 H CYS 10 HN CYS 10 1.053 -9.326 -0.370 75 HA CYS 10 HA CYS 10 0.831 -8.707 2.387 76 HB2 CYS 10 HB2 CYS 10 2.084 -7.335 0.757 77 HB3 CYS 10 HB1 CYS 10 0.571 -6.882 -0.008 78 H GLY 11 HN GLY 11 -1.323 -7.571 -0.235 79 HA2 GLY 11 HA2 GLY 11 -3.601 -7.410 -0.358 80 HA3 GLY 11 HA1 GLY 11 -3.655 -8.742 0.780 81 H LYS 12 HN LYS 12 -2.903 -5.257 0.816 82 HA LYS 12 HA LYS 12 -4.651 -5.035 3.179 83 HB2 LYS 12 HB2 LYS 12 -2.161 -3.447 2.526 84 HB3 LYS 12 HB1 LYS 12 -3.262 -3.069 3.845 85 HG2 LYS 12 HG2 LYS 12 -2.779 -5.225 4.873 86 HG3 LYS 12 HG1 LYS 12 -1.672 -5.610 3.548 87 HD2 LYS 12 HD2 LYS 12 -0.290 -3.695 4.142 88 HD3 LYS 12 HD1 LYS 12 -1.397 -3.286 5.451 89 HE2 LYS 12 HE2 LYS 12 0.562 -4.461 6.299 90 HE3 LYS 12 HE1 LYS 12 -0.900 -5.411 6.543 91 HZ1 LYS 12 HZ1 LYS 12 0.997 -6.727 5.735 92 HZ2 LYS 12 HZ2 LYS 12 1.014 -5.821 4.307 93 HZ3 LYS 12 HZ3 LYS 12 -0.324 -6.786 4.684 94 H ARG 13 HN ARG 13 -6.230 -3.496 3.113 95 HA ARG 13 HA ARG 13 -6.491 -2.098 0.539 96 HB2 ARG 13 HB2 ARG 13 -8.609 -2.991 2.496 97 HB3 ARG 13 HB1 ARG 13 -8.934 -2.054 1.045 98 HG2 ARG 13 HG2 ARG 13 -8.122 -3.871 -0.338 99 HG3 ARG 13 HG1 ARG 13 -7.703 -4.797 1.104 100 HD2 ARG 13 HD2 ARG 13 -10.046 -4.861 1.757 101 HD3 ARG 13 HD1 ARG 13 -10.477 -3.892 0.352 102 HE ARG 13 HE ARG 13 -9.649 -5.814 -1.004 103 HH11 ARG 13 HH11 ARG 13 -10.701 -6.326 2.298 104 HH12 ARG 13 HH12 ARG 13 -11.196 -7.962 2.020 105 HH21 ARG 13 HH21 ARG 13 -10.303 -7.972 -1.367 106 HH22 ARG 13 HH22 ARG 13 -10.978 -8.897 -0.065 107 H PHE 14 HN PHE 14 -6.863 0.026 0.431 108 HA PHE 14 HA PHE 14 -7.149 1.562 2.928 109 HB2 PHE 14 HB2 PHE 14 -5.454 2.410 0.566 110 HB3 PHE 14 HB1 PHE 14 -5.563 3.199 2.135 111 HD1 PHE 14 HD1 PHE 14 -4.020 0.577 0.198 112 HD2 PHE 14 HD2 PHE 14 -4.549 2.142 4.115 113 HE1 PHE 14 HE1 PHE 14 -2.107 -0.754 0.984 114 HE2 PHE 14 HE2 PHE 14 -2.642 0.810 4.909 115 HZ PHE 14 HZ PHE 14 -1.418 -0.639 3.342 116 H THR 15 HN THR 15 -8.361 3.502 2.701 117 HA THR 15 HA THR 15 -10.058 3.565 0.324 118 HB THR 15 HB THR 15 -11.287 5.356 1.676 119 HG1 THR 15 HG1 THR 15 -10.371 5.926 3.488 120 HG21 THR 15 HG21 THR 15 -12.141 3.084 1.466 121 HG22 THR 15 HG22 THR 15 -12.400 3.677 3.106 122 HG23 THR 15 HG23 THR 15 -11.087 2.547 2.774 123 H ARG 16 HN ARG 16 -7.167 4.736 1.027 124 HA ARG 16 HA ARG 16 -7.581 7.245 -0.451 125 HB2 ARG 16 HB2 ARG 16 -5.628 6.834 1.826 126 HB3 ARG 16 HB1 ARG 16 -5.862 8.320 0.919 127 HG2 ARG 16 HG2 ARG 16 -7.973 7.013 2.618 128 HG3 ARG 16 HG1 ARG 16 -6.915 8.319 3.159 129 HD2 ARG 16 HD2 ARG 16 -7.799 9.752 1.373 130 HD3 ARG 16 HD1 ARG 16 -8.866 8.448 0.861 131 HE ARG 16 HE ARG 16 -9.363 8.893 3.557 132 HH11 ARG 16 HH11 ARG 16 -10.961 11.624 1.078 133 HH12 ARG 16 HH12 ARG 16 -9.629 10.648 0.545 134 HH21 ARG 16 HH21 ARG 16 -11.796 11.360 3.209 135 HH22 ARG 16 HH22 ARG 16 -11.091 10.195 4.281 136 H SER 17 HN SER 17 -6.346 7.411 -2.211 137 HA SER 17 HA SER 17 -4.716 5.274 -3.075 138 HB2 SER 17 HB2 SER 17 -4.117 6.887 -4.944 139 HB3 SER 17 HB1 SER 17 -5.843 6.582 -4.730 140 HG SER 17 HG SER 17 -4.666 8.904 -4.761 141 H ASP 18 HN ASP 18 -3.966 8.483 -1.785 142 HA ASP 18 HA ASP 18 -1.161 8.295 -2.082 143 HB2 ASP 18 HB2 ASP 18 -1.015 10.204 -0.635 144 HB3 ASP 18 HB1 ASP 18 -2.434 10.421 -1.650 145 H GLU 19 HN GLU 19 -3.382 7.034 0.258 146 HA GLU 19 HA GLU 19 -1.431 6.478 2.263 147 HB2 GLU 19 HB2 GLU 19 -3.907 6.682 2.682 148 HB3 GLU 19 HB1 GLU 19 -4.103 5.123 1.894 149 HG2 GLU 19 HG2 GLU 19 -2.783 4.045 3.578 150 HG3 GLU 19 HG1 GLU 19 -2.394 5.594 4.324 151 H LEU 20 HN LEU 20 -2.955 4.658 -0.358 152 HA LEU 20 HA LEU 20 -1.608 2.228 0.045 153 HB2 LEU 20 HB2 LEU 20 -3.435 2.296 -1.490 154 HB3 LEU 20 HB1 LEU 20 -2.654 3.527 -2.467 155 HG LEU 20 HG LEU 20 -0.900 1.872 -3.083 156 HD11 LEU 20 HD11 LEU 20 -1.306 -0.498 -2.638 157 HD12 LEU 20 HD12 LEU 20 -2.681 -0.067 -1.620 158 HD13 LEU 20 HD13 LEU 20 -1.049 0.418 -1.153 159 HD21 LEU 20 HD21 LEU 20 -2.930 2.274 -4.480 160 HD22 LEU 20 HD22 LEU 20 -3.665 0.863 -3.713 161 HD23 LEU 20 HD23 LEU 20 -2.206 0.680 -4.679 162 H GLN 21 HN GLN 21 -0.708 5.103 -1.828 163 HA GLN 21 HA GLN 21 1.741 4.118 -2.809 164 HB2 GLN 21 HB2 GLN 21 1.015 6.980 -2.145 165 HB3 GLN 21 HB1 GLN 21 2.330 6.463 -3.190 166 HG2 GLN 21 HG2 GLN 21 -0.607 6.050 -3.694 167 HG3 GLN 21 HG1 GLN 21 0.436 7.227 -4.489 168 HE21 GLN 21 HE21 GLN 21 -1.145 5.063 -5.625 169 HE22 GLN 21 HE22 GLN 21 -0.035 4.057 -6.492 170 H ARG 22 HN ARG 22 0.961 6.048 0.033 171 HA ARG 22 HA ARG 22 3.419 6.306 1.253 172 HB2 ARG 22 HB2 ARG 22 1.560 7.445 2.163 173 HB3 ARG 22 HB1 ARG 22 0.625 5.973 2.302 174 HG2 ARG 22 HG2 ARG 22 2.160 5.227 4.099 175 HG3 ARG 22 HG1 ARG 22 2.948 6.809 4.013 176 HD2 ARG 22 HD2 ARG 22 0.884 7.916 4.567 177 HD3 ARG 22 HD1 ARG 22 0.004 6.392 4.506 178 HE ARG 22 HE ARG 22 2.054 6.176 6.407 179 HH11 ARG 22 HH11 ARG 22 -1.352 7.967 7.572 180 HH12 ARG 22 HH12 ARG 22 -0.979 7.829 5.883 181 HH21 ARG 22 HH21 ARG 22 1.572 6.359 8.652 182 HH22 ARG 22 HH22 ARG 22 0.101 7.136 9.146 183 H HIS 23 HN HIS 23 1.035 3.721 1.835 184 HA HIS 23 HA HIS 23 2.647 2.133 3.467 185 HB2 HIS 23 HB2 HIS 23 0.356 1.602 3.488 186 HB3 HIS 23 HB1 HIS 23 0.258 1.554 1.730 187 HD1 HIS 23 HD1 HIS 23 1.266 -0.573 4.692 188 HD2 HIS 23 HD2 HIS 23 1.006 -0.814 0.533 189 HE1 HIS 23 HE1 HIS 23 1.765 -2.991 4.064 190 H LYS 24 HN LYS 24 2.244 2.169 -0.038 191 HA LYS 24 HA LYS 24 3.651 -0.137 -0.688 192 HB2 LYS 24 HB2 LYS 24 2.306 1.244 -2.266 193 HB3 LYS 24 HB1 LYS 24 3.599 2.431 -2.280 194 HG2 LYS 24 HG2 LYS 24 3.873 1.156 -4.227 195 HG3 LYS 24 HG1 LYS 24 5.109 0.583 -3.106 196 HD2 LYS 24 HD2 LYS 24 4.129 -1.336 -4.134 197 HD3 LYS 24 HD1 LYS 24 3.548 -1.269 -2.470 198 HE2 LYS 24 HE2 LYS 24 1.439 -0.337 -3.193 199 HE3 LYS 24 HE1 LYS 24 2.016 -0.233 -4.855 200 HZ1 LYS 24 HZ1 LYS 24 2.175 -2.640 -4.912 201 HZ2 LYS 24 HZ2 LYS 24 0.600 -2.156 -4.531 202 HZ3 LYS 24 HZ3 LYS 24 1.622 -2.739 -3.316 203 H ARG 25 HN ARG 25 4.819 2.971 0.346 204 HA ARG 25 HA ARG 25 7.460 2.813 -0.600 205 HB2 ARG 25 HB2 ARG 25 6.458 4.168 1.904 206 HB3 ARG 25 HB1 ARG 25 8.018 4.452 1.145 207 HG2 ARG 25 HG2 ARG 25 6.831 5.232 -0.882 208 HG3 ARG 25 HG1 ARG 25 5.308 5.065 -0.011 209 HD2 ARG 25 HD2 ARG 25 7.613 6.849 0.765 210 HD3 ARG 25 HD1 ARG 25 6.113 7.376 0.011 211 HE ARG 25 HE ARG 25 6.067 6.049 2.640 212 HH11 ARG 25 HH11 ARG 25 5.310 8.795 0.597 213 HH12 ARG 25 HH12 ARG 25 4.516 9.676 1.863 214 HH21 ARG 25 HH21 ARG 25 4.344 8.779 3.964 215 HH22 ARG 25 HH22 ARG 25 5.027 7.217 4.304 216 H THR 26 HN THR 26 5.908 0.995 1.844 217 HA THR 26 HA THR 26 8.263 0.408 3.364 218 HB THR 26 HB THR 26 6.947 -1.382 4.411 219 HG1 THR 26 HG1 THR 26 4.780 -0.588 2.740 220 HG21 THR 26 HG21 THR 26 5.400 1.197 4.126 221 HG22 THR 26 HG22 THR 26 6.726 0.911 5.252 222 HG23 THR 26 HG23 THR 26 5.215 0.019 5.423 223 H HIS 27 HN HIS 27 6.725 -0.932 0.522 224 HA HIS 27 HA HIS 27 8.502 -3.246 0.542 225 HB2 HIS 27 HB2 HIS 27 6.537 -2.441 -1.607 226 HB3 HIS 27 HB1 HIS 27 7.341 -3.993 -1.445 227 HD1 HIS 27 HD1 HIS 27 6.602 -5.214 1.084 228 HD2 HIS 27 HD2 HIS 27 4.047 -2.509 -0.798 229 HE1 HIS 27 HE1 HIS 27 4.260 -5.661 1.993 230 H THR 28 HN THR 28 7.772 -0.457 -1.516 231 HA THR 28 HA THR 28 10.445 -0.732 -2.713 232 HB THR 28 HB THR 28 9.429 0.248 -4.800 233 HG1 THR 28 HG1 THR 28 7.489 1.009 -3.700 234 HG21 THR 28 HG21 THR 28 8.352 -2.419 -3.865 235 HG22 THR 28 HG22 THR 28 9.904 -2.139 -4.656 236 HG23 THR 28 HG23 THR 28 8.403 -1.872 -5.542 237 H GLY 29 HN GLY 29 10.730 0.757 -0.728 238 HA2 GLY 29 HA2 GLY 29 10.737 3.493 -1.783 239 HA3 GLY 29 HA1 GLY 29 10.003 3.218 -0.209 240 H GLU 30 HN GLU 30 12.713 1.372 -1.310 241 HA GLU 30 HA GLU 30 14.237 1.929 1.002 242 HB2 GLU 30 HB2 GLU 30 14.379 -0.162 -0.356 243 HB3 GLU 30 HB1 GLU 30 15.179 0.756 -1.624 244 HG2 GLU 30 HG2 GLU 30 16.774 -0.495 -0.294 245 HG3 GLU 30 HG1 GLU 30 17.029 1.242 -0.127 246 H LYS 31 HN LYS 31 14.234 3.243 -2.248 247 HA LYS 31 HA LYS 31 15.720 5.535 -1.303 248 HB2 LYS 31 HB2 LYS 31 17.415 3.849 -2.171 249 HB3 LYS 31 HB1 LYS 31 16.691 4.063 -3.758 250 HG2 LYS 31 HG2 LYS 31 18.681 5.423 -3.548 251 HG3 LYS 31 HG1 LYS 31 17.253 6.452 -3.680 252 HD2 LYS 31 HD2 LYS 31 17.251 6.797 -1.276 253 HD3 LYS 31 HD1 LYS 31 18.626 5.708 -1.099 254 HE2 LYS 31 HE2 LYS 31 20.009 7.225 -2.412 255 HE3 LYS 31 HE1 LYS 31 18.633 8.301 -2.642 256 HZ1 LYS 31 HZ1 LYS 31 20.081 9.087 -0.879 257 HZ2 LYS 31 HZ2 LYS 31 19.886 7.635 -0.033 258 HZ3 LYS 31 HZ3 LYS 31 18.567 8.666 -0.252 259 HN1 NH2 32 HN1 NH2 32 13.780 6.596 -1.649 260 HN2 NH2 32 HN2 NH2 32 13.154 6.918 -3.231 Start of MODEL 7 1 H1 ARG 1 HT1 ARG 1 -14.022 4.759 -3.407 2 H2 ARG 1 HT2 ARG 1 -13.948 5.680 -4.825 3 H3 ARG 1 HT3 ARG 1 -12.730 5.816 -3.663 4 HA ARG 1 HA ARG 1 -13.329 3.401 -5.262 5 HB2 ARG 1 HB2 ARG 1 -11.037 5.372 -5.375 6 HB3 ARG 1 HB1 ARG 1 -11.055 3.834 -6.222 7 HG2 ARG 1 HG2 ARG 1 -13.005 4.569 -7.507 8 HG3 ARG 1 HG1 ARG 1 -12.968 6.119 -6.661 9 HD2 ARG 1 HD2 ARG 1 -10.804 4.986 -8.433 10 HD3 ARG 1 HD1 ARG 1 -11.888 6.319 -8.829 11 HE ARG 1 HE ARG 1 -10.714 7.225 -6.602 12 HH11 ARG 1 HH11 ARG 1 -7.856 6.628 -9.357 13 HH12 ARG 1 HH12 ARG 1 -9.365 5.788 -9.493 14 HH21 ARG 1 HH21 ARG 1 -7.494 8.073 -7.607 15 HH22 ARG 1 HH22 ARG 1 -8.727 8.318 -6.408 16 HA PRO 2 HA PRO 2 -10.986 1.549 -1.927 17 HB2 PRO 2 HB2 PRO 2 -11.220 -1.012 -2.660 18 HB3 PRO 2 HB1 PRO 2 -12.609 -0.105 -2.040 19 HG2 PRO 2 HG2 PRO 2 -11.930 -0.861 -4.838 20 HG3 PRO 2 HG1 PRO 2 -13.514 -0.748 -4.063 21 HD2 PRO 2 HD2 PRO 2 -12.341 1.190 -5.715 22 HD3 PRO 2 HD1 PRO 2 -13.736 1.437 -4.648 23 H PHE 3 HN PHE 3 -8.878 1.003 -1.654 24 HA PHE 3 HA PHE 3 -7.318 0.353 -4.070 25 HB2 PHE 3 HB2 PHE 3 -6.507 2.083 -1.721 26 HB3 PHE 3 HB1 PHE 3 -5.431 1.589 -3.019 27 HD1 PHE 3 HD1 PHE 3 -5.708 2.491 -5.282 28 HD2 PHE 3 HD2 PHE 3 -8.150 3.784 -2.046 29 HE1 PHE 3 HE1 PHE 3 -6.398 4.458 -6.591 30 HE2 PHE 3 HE2 PHE 3 -8.851 5.744 -3.352 31 HZ PHE 3 HZ PHE 3 -8.012 6.037 -5.680 32 H NLE 4 HN NLE 4 -5.778 -1.251 -3.857 33 HA NLE 4 HA NLE 4 -5.455 -2.488 -1.230 34 HB2 NLE 4 HB1 NLE 4 -6.379 -3.992 -3.687 35 HB3 NLE 4 HB2 NLE 4 -7.377 -3.607 -2.292 36 HG2 NLE 4 HG1 NLE 4 -5.868 -4.981 -0.888 37 HG3 NLE 4 HG2 NLE 4 -4.985 -5.432 -2.349 38 HD2 NLE 4 HD1 NLE 4 -7.016 -6.424 -3.282 39 HD3 NLE 4 HD2 NLE 4 -7.914 -5.961 -1.827 40 HE1 NLE 4 HE1 NLE 4 -6.414 -7.356 -0.476 41 HE2 NLE 4 HE2 NLE 4 -5.557 -7.840 -1.941 42 HE3 NLE 4 HE3 NLE 4 -7.245 -8.299 -1.714 43 H CYS 5 HN CYS 5 -3.474 -3.188 -0.886 44 HA CYS 5 HA CYS 5 -1.487 -2.974 -2.965 45 HB2 CYS 5 HB2 CYS 5 -0.881 -2.211 -0.756 46 HB3 CYS 5 HB1 CYS 5 -1.304 -3.769 -0.057 47 H THR 6 HN THR 6 -1.287 -4.563 -4.383 48 HA THR 6 HA THR 6 -1.940 -7.299 -3.572 49 HB THR 6 HB THR 6 -3.122 -6.429 -5.539 50 HG1 THR 6 HG1 THR 6 -1.413 -8.630 -5.691 51 HG21 THR 6 HG21 THR 6 -1.888 -6.049 -7.652 52 HG22 THR 6 HG22 THR 6 -0.374 -6.184 -6.758 53 HG23 THR 6 HG23 THR 6 -1.493 -4.870 -6.402 54 H TRP 7 HN TRP 7 0.576 -5.932 -2.875 55 HA TRP 7 HA TRP 7 2.679 -7.068 -4.434 56 HB2 TRP 7 HB2 TRP 7 2.871 -5.035 -2.933 57 HB3 TRP 7 HB1 TRP 7 2.834 -6.137 -1.566 58 HD1 TRP 7 HD1 TRP 7 5.077 -4.964 -4.400 59 HE1 TRP 7 HE1 TRP 7 7.487 -5.753 -3.954 60 HE3 TRP 7 HE3 TRP 7 4.196 -8.025 -0.407 61 HZ2 TRP 7 HZ2 TRP 7 8.827 -7.453 -2.146 62 HZ3 TRP 7 HZ3 TRP 7 6.099 -9.190 0.621 63 HH2 TRP 7 HH2 TRP 7 8.364 -8.914 -0.230 64 H NVA 8 HN NVX 8 2.732 -9.257 -4.592 65 HA NVA 8 HA NVX 8 2.862 -11.446 -4.024 66 HB2 NVA 8 HB1 NVX 8 4.208 -10.028 -1.761 67 HB3 NVA 8 HB2 NVX 8 4.911 -11.034 -3.017 68 HG2 NVA 8 HG1 NVX 8 5.029 -12.113 -0.845 69 HG3 NVA 8 HG2 NVX 8 3.986 -13.019 -1.950 70 HD1 NVA 8 HD NVX 8 3.159 -11.152 0.241 71 HA CYS 9 HA CYX 9 -0.381 -12.068 -0.867 72 HB2 CYS 9 HB2 CYX 9 0.403 -13.403 1.338 73 HB3 CYS 9 HB1 CYX 9 0.490 -14.130 -0.275 74 H CYS 10 HN CYS 10 0.957 -9.481 -0.397 75 HA CYS 10 HA CYS 10 0.871 -8.845 2.365 76 HB2 CYS 10 HB2 CYS 10 2.109 -7.510 0.693 77 HB3 CYS 10 HB1 CYS 10 0.587 -7.024 -0.035 78 H GLY 11 HN GLY 11 -1.339 -7.766 -0.224 79 HA2 GLY 11 HA2 GLY 11 -3.593 -7.396 -0.238 80 HA3 GLY 11 HA1 GLY 11 -3.691 -8.712 0.916 81 H LYS 12 HN LYS 12 -2.752 -5.273 0.844 82 HA LYS 12 HA LYS 12 -4.320 -4.941 3.315 83 HB2 LYS 12 HB2 LYS 12 -1.796 -4.599 3.507 84 HB3 LYS 12 HB1 LYS 12 -2.011 -3.177 2.495 85 HG2 LYS 12 HG2 LYS 12 -3.332 -2.095 4.120 86 HG3 LYS 12 HG1 LYS 12 -3.501 -3.577 5.072 87 HD2 LYS 12 HD2 LYS 12 -1.065 -3.536 5.495 88 HD3 LYS 12 HD1 LYS 12 -0.962 -2.004 4.625 89 HE2 LYS 12 HE2 LYS 12 -1.040 -1.605 7.014 90 HE3 LYS 12 HE1 LYS 12 -2.507 -0.996 6.250 91 HZ1 LYS 12 HZ1 LYS 12 -2.264 -3.588 7.678 92 HZ2 LYS 12 HZ2 LYS 12 -3.672 -2.981 6.969 93 HZ3 LYS 12 HZ3 LYS 12 -2.987 -2.190 8.297 94 H ARG 13 HN ARG 13 -5.836 -3.319 3.348 95 HA ARG 13 HA ARG 13 -6.352 -2.143 0.701 96 HB2 ARG 13 HB2 ARG 13 -8.328 -2.939 2.839 97 HB3 ARG 13 HB1 ARG 13 -8.736 -2.255 1.270 98 HG2 ARG 13 HG2 ARG 13 -7.811 -4.197 0.154 99 HG3 ARG 13 HG1 ARG 13 -7.318 -4.872 1.708 100 HD2 ARG 13 HD2 ARG 13 -9.686 -4.935 2.396 101 HD3 ARG 13 HD1 ARG 13 -10.142 -4.328 0.803 102 HE ARG 13 HE ARG 13 -8.583 -6.786 0.881 103 HH11 ARG 13 HH11 ARG 13 -11.719 -5.278 0.579 104 HH12 ARG 13 HH12 ARG 13 -12.460 -6.665 -0.151 105 HH21 ARG 13 HH21 ARG 13 -9.548 -8.622 -0.081 106 HH22 ARG 13 HH22 ARG 13 -11.222 -8.573 -0.529 107 H PHE 14 HN PHE 14 -7.046 -0.076 0.491 108 HA PHE 14 HA PHE 14 -7.164 1.648 2.869 109 HB2 PHE 14 HB2 PHE 14 -5.622 2.401 0.376 110 HB3 PHE 14 HB1 PHE 14 -5.655 3.254 1.914 111 HD1 PHE 14 HD1 PHE 14 -4.179 0.561 0.011 112 HD2 PHE 14 HD2 PHE 14 -4.478 2.348 3.856 113 HE1 PHE 14 HE1 PHE 14 -2.165 -0.653 0.727 114 HE2 PHE 14 HE2 PHE 14 -2.466 1.134 4.583 115 HZ PHE 14 HZ PHE 14 -1.341 -0.420 3.008 116 H THR 15 HN THR 15 -8.240 3.702 2.413 117 HA THR 15 HA THR 15 -10.171 3.456 0.216 118 HB THR 15 HB THR 15 -10.264 5.450 2.490 119 HG1 THR 15 HG1 THR 15 -10.511 3.672 3.659 120 HG21 THR 15 HG21 THR 15 -12.658 5.491 1.995 121 HG22 THR 15 HG22 THR 15 -12.429 4.293 0.723 122 HG23 THR 15 HG23 THR 15 -11.724 5.900 0.555 123 H ARG 16 HN ARG 16 -7.357 5.103 1.134 124 HA ARG 16 HA ARG 16 -7.790 7.095 -0.987 125 HB2 ARG 16 HB2 ARG 16 -6.313 7.362 1.628 126 HB3 ARG 16 HB1 ARG 16 -6.042 8.464 0.289 127 HG2 ARG 16 HG2 ARG 16 -8.646 7.998 1.714 128 HG3 ARG 16 HG1 ARG 16 -7.602 9.415 1.861 129 HD2 ARG 16 HD2 ARG 16 -9.195 8.516 -0.531 130 HD3 ARG 16 HD1 ARG 16 -9.349 10.017 0.375 131 HE ARG 16 HE ARG 16 -6.780 10.039 -0.591 132 HH11 ARG 16 HH11 ARG 16 -9.495 10.585 -3.505 133 HH12 ARG 16 HH12 ARG 16 -9.999 9.921 -1.983 134 HH21 ARG 16 HH21 ARG 16 -7.282 11.161 -3.832 135 HH22 ARG 16 HH22 ARG 16 -6.120 10.898 -2.563 136 H SER 17 HN SER 17 -6.333 7.246 -2.557 137 HA SER 17 HA SER 17 -4.490 5.162 -3.016 138 HB2 SER 17 HB2 SER 17 -3.752 6.804 -4.891 139 HB3 SER 17 HB1 SER 17 -5.395 6.163 -4.940 140 HG SER 17 HG SER 17 -4.923 8.593 -5.128 141 H ASP 18 HN ASP 18 -4.227 8.401 -1.757 142 HA ASP 18 HA ASP 18 -1.459 8.749 -1.738 143 HB2 ASP 18 HB2 ASP 18 -3.189 9.687 0.536 144 HB3 ASP 18 HB1 ASP 18 -1.842 10.509 -0.236 145 H GLU 19 HN GLU 19 -3.590 7.012 0.407 146 HA GLU 19 HA GLU 19 -1.646 6.563 2.457 147 HB2 GLU 19 HB2 GLU 19 -4.202 6.648 2.691 148 HB3 GLU 19 HB1 GLU 19 -4.199 5.019 2.034 149 HG2 GLU 19 HG2 GLU 19 -2.903 4.216 3.878 150 HG3 GLU 19 HG1 GLU 19 -2.710 5.852 4.507 151 H LEU 20 HN LEU 20 -3.022 4.729 -0.221 152 HA LEU 20 HA LEU 20 -1.601 2.337 0.135 153 HB2 LEU 20 HB2 LEU 20 -3.402 2.406 -1.434 154 HB3 LEU 20 HB1 LEU 20 -2.639 3.693 -2.348 155 HG LEU 20 HG LEU 20 -0.838 2.120 -3.009 156 HD11 LEU 20 HD11 LEU 20 -1.157 -0.277 -2.657 157 HD12 LEU 20 HD12 LEU 20 -2.556 0.061 -1.639 158 HD13 LEU 20 HD13 LEU 20 -0.948 0.587 -1.135 159 HD21 LEU 20 HD21 LEU 20 -2.798 2.499 -4.445 160 HD22 LEU 20 HD22 LEU 20 -3.602 1.132 -3.674 161 HD23 LEU 20 HD23 LEU 20 -2.137 0.875 -4.616 162 H GLN 21 HN GLN 21 -0.760 5.298 -1.631 163 HA GLN 21 HA GLN 21 1.716 4.455 -2.624 164 HB2 GLN 21 HB2 GLN 21 0.752 7.208 -1.838 165 HB3 GLN 21 HB1 GLN 21 2.274 6.911 -2.667 166 HG2 GLN 21 HG2 GLN 21 1.106 5.982 -4.563 167 HG3 GLN 21 HG1 GLN 21 -0.437 6.149 -3.727 168 HE21 GLN 21 HE21 GLN 21 -1.272 7.460 -5.343 169 HE22 GLN 21 HE22 GLN 21 -0.770 9.106 -5.547 170 H ARG 22 HN ARG 22 0.898 6.097 0.419 171 HA ARG 22 HA ARG 22 3.450 6.286 1.517 172 HB2 ARG 22 HB2 ARG 22 1.526 7.341 2.570 173 HB3 ARG 22 HB1 ARG 22 0.809 5.775 2.897 174 HG2 ARG 22 HG2 ARG 22 2.718 5.250 4.375 175 HG3 ARG 22 HG1 ARG 22 3.325 6.887 4.114 176 HD2 ARG 22 HD2 ARG 22 1.328 7.826 5.096 177 HD3 ARG 22 HD1 ARG 22 0.609 6.225 5.245 178 HE ARG 22 HE ARG 22 3.117 6.448 6.616 179 HH11 ARG 22 HH11 ARG 22 -0.321 7.053 8.596 180 HH12 ARG 22 HH12 ARG 22 -0.301 7.136 6.864 181 HH21 ARG 22 HH21 ARG 22 3.105 6.342 8.885 182 HH22 ARG 22 HH22 ARG 22 1.626 6.605 9.755 183 H HIS 23 HN HIS 23 1.074 3.666 1.822 184 HA HIS 23 HA HIS 23 2.663 1.937 3.355 185 HB2 HIS 23 HB2 HIS 23 0.325 1.503 3.250 186 HB3 HIS 23 HB1 HIS 23 0.342 1.448 1.490 187 HD1 HIS 23 HD1 HIS 23 1.191 -0.667 4.519 188 HD2 HIS 23 HD2 HIS 23 1.131 -0.933 0.354 189 HE1 HIS 23 HE1 HIS 23 1.651 -3.105 3.933 190 H LYS 24 HN LYS 24 2.233 2.215 -0.134 191 HA LYS 24 HA LYS 24 3.630 0.027 -1.042 192 HB2 LYS 24 HB2 LYS 24 2.373 1.556 -2.478 193 HB3 LYS 24 HB1 LYS 24 3.563 2.818 -2.201 194 HG2 LYS 24 HG2 LYS 24 3.986 1.933 -4.336 195 HG3 LYS 24 HG1 LYS 24 5.256 1.315 -3.281 196 HD2 LYS 24 HD2 LYS 24 4.156 -0.821 -3.123 197 HD3 LYS 24 HD1 LYS 24 2.758 -0.210 -4.010 198 HE2 LYS 24 HE2 LYS 24 4.173 0.144 -5.985 199 HE3 LYS 24 HE1 LYS 24 5.563 -0.481 -5.098 200 HZ1 LYS 24 HZ1 LYS 24 3.097 -2.010 -5.727 201 HZ2 LYS 24 HZ2 LYS 24 4.459 -2.608 -4.922 202 HZ3 LYS 24 HZ3 LYS 24 4.573 -2.147 -6.540 203 H ARG 25 HN ARG 25 4.881 3.025 0.262 204 HA ARG 25 HA ARG 25 7.524 2.815 -0.685 205 HB2 ARG 25 HB2 ARG 25 6.455 4.198 1.770 206 HB3 ARG 25 HB1 ARG 25 8.086 4.398 1.147 207 HG2 ARG 25 HG2 ARG 25 7.189 5.299 -0.936 208 HG3 ARG 25 HG1 ARG 25 5.550 5.096 -0.320 209 HD2 ARG 25 HD2 ARG 25 6.257 7.394 -0.058 210 HD3 ARG 25 HD1 ARG 25 6.069 6.636 1.520 211 HE ARG 25 HE ARG 25 8.749 6.423 0.661 212 HH11 ARG 25 HH11 ARG 25 6.445 8.750 1.887 213 HH12 ARG 25 HH12 ARG 25 7.662 9.778 2.579 214 HH21 ARG 25 HH21 ARG 25 9.880 9.232 2.390 215 HH22 ARG 25 HH22 ARG 25 10.353 7.781 1.560 216 H THR 26 HN THR 26 5.923 0.944 1.673 217 HA THR 26 HA THR 26 8.225 0.345 3.272 218 HB THR 26 HB THR 26 6.895 -1.507 4.201 219 HG1 THR 26 HG1 THR 26 4.737 -0.689 2.542 220 HG21 THR 26 HG21 THR 26 5.336 1.066 3.951 221 HG22 THR 26 HG22 THR 26 6.601 0.733 5.134 222 HG23 THR 26 HG23 THR 26 5.088 -0.172 5.181 223 H HIS 27 HN HIS 27 6.651 -1.147 0.474 224 HA HIS 27 HA HIS 27 8.536 -3.346 0.450 225 HB2 HIS 27 HB2 HIS 27 6.594 -2.563 -1.730 226 HB3 HIS 27 HB1 HIS 27 7.403 -4.109 -1.540 227 HD1 HIS 27 HD1 HIS 27 6.652 -5.321 0.970 228 HD2 HIS 27 HD2 HIS 27 4.087 -2.625 -0.915 229 HE1 HIS 27 HE1 HIS 27 4.313 -5.771 1.886 230 H THR 28 HN THR 28 7.990 -0.326 -1.239 231 HA THR 28 HA THR 28 10.741 -0.279 -2.088 232 HB THR 28 HB THR 28 9.779 -1.486 -3.963 233 HG1 THR 28 HG1 THR 28 11.373 0.103 -4.430 234 HG21 THR 28 HG21 THR 28 7.447 -0.804 -3.770 235 HG22 THR 28 HG22 THR 28 8.049 -0.476 -5.395 236 HG23 THR 28 HG23 THR 28 7.874 0.843 -4.237 237 H GLY 29 HN GLY 29 11.455 1.721 -1.757 238 HA2 GLY 29 HA2 GLY 29 9.669 3.979 -2.285 239 HA3 GLY 29 HA1 GLY 29 10.352 3.832 -0.673 240 H GLU 30 HN GLU 30 12.889 3.018 -1.155 241 HA GLU 30 HA GLU 30 14.072 5.437 -2.218 242 HB2 GLU 30 HB2 GLU 30 15.334 2.986 -0.960 243 HB3 GLU 30 HB1 GLU 30 16.195 4.459 -1.383 244 HG2 GLU 30 HG2 GLU 30 13.978 4.230 0.643 245 HG3 GLU 30 HG1 GLU 30 15.698 4.361 0.996 246 H LYS 31 HN LYS 31 13.023 4.654 -4.328 247 HA LYS 31 HA LYS 31 14.965 3.024 -5.824 248 HB2 LYS 31 HB2 LYS 31 12.791 1.848 -5.408 249 HB3 LYS 31 HB1 LYS 31 11.974 3.136 -6.279 250 HG2 LYS 31 HG2 LYS 31 12.246 1.243 -7.728 251 HG3 LYS 31 HG1 LYS 31 13.279 2.557 -8.294 252 HD2 LYS 31 HD2 LYS 31 15.216 1.517 -7.289 253 HD3 LYS 31 HD1 LYS 31 14.209 0.246 -6.591 254 HE2 LYS 31 HE2 LYS 31 15.338 -0.555 -8.592 255 HE3 LYS 31 HE1 LYS 31 13.595 -0.497 -8.843 256 HZ1 LYS 31 HZ1 LYS 31 15.556 1.515 -9.796 257 HZ2 LYS 31 HZ2 LYS 31 13.883 1.603 -10.018 258 HZ3 LYS 31 HZ3 LYS 31 14.767 0.366 -10.751 259 HN1 NH2 32 HN1 NH2 32 12.132 4.967 -6.687 260 HN2 NH2 32 HN2 NH2 32 12.974 6.042 -7.753 Start of MODEL 8 1 H1 ARG 1 HT1 ARG 1 -13.700 3.142 -3.298 2 H2 ARG 1 HT2 ARG 1 -13.878 3.745 -4.864 3 H3 ARG 1 HT3 ARG 1 -12.514 4.153 -3.952 4 HA ARG 1 HA ARG 1 -13.210 1.453 -4.932 5 HB2 ARG 1 HB2 ARG 1 -11.015 3.371 -5.746 6 HB3 ARG 1 HB1 ARG 1 -11.155 1.709 -6.302 7 HG2 ARG 1 HG2 ARG 1 -13.262 2.224 -7.383 8 HG3 ARG 1 HG1 ARG 1 -13.185 3.879 -6.787 9 HD2 ARG 1 HD2 ARG 1 -11.095 4.203 -8.054 10 HD3 ARG 1 HD1 ARG 1 -11.249 2.564 -8.690 11 HE ARG 1 HE ARG 1 -13.590 3.635 -9.408 12 HH11 ARG 1 HH11 ARG 1 -10.670 5.778 -11.146 13 HH12 ARG 1 HH12 ARG 1 -10.323 4.871 -9.708 14 HH21 ARG 1 HH21 ARG 1 -12.775 5.756 -12.042 15 HH22 ARG 1 HH22 ARG 1 -14.039 4.838 -11.287 16 HA PRO 2 HA PRO 2 -10.646 0.230 -1.463 17 HB2 PRO 2 HB2 PRO 2 -10.542 -2.379 -2.815 18 HB3 PRO 2 HB1 PRO 2 -11.174 -1.970 -1.215 19 HG2 PRO 2 HG2 PRO 2 -12.794 -2.633 -3.263 20 HG3 PRO 2 HG1 PRO 2 -13.268 -1.454 -2.032 21 HD2 PRO 2 HD2 PRO 2 -12.281 -0.989 -4.817 22 HD3 PRO 2 HD1 PRO 2 -13.559 -0.144 -3.916 23 H PHE 3 HN PHE 3 -8.681 1.178 -1.753 24 HA PHE 3 HA PHE 3 -6.959 0.456 -3.948 25 HB2 PHE 3 HB2 PHE 3 -6.493 2.147 -1.488 26 HB3 PHE 3 HB1 PHE 3 -5.303 1.912 -2.755 27 HD1 PHE 3 HD1 PHE 3 -5.814 2.722 -5.073 28 HD2 PHE 3 HD2 PHE 3 -8.210 3.721 -1.704 29 HE1 PHE 3 HE1 PHE 3 -6.782 4.602 -6.325 30 HE2 PHE 3 HE2 PHE 3 -9.186 5.602 -2.950 31 HZ PHE 3 HZ PHE 3 -8.463 6.029 -5.294 32 H NLE 4 HN NLE 4 -6.267 -1.576 -3.898 33 HA NLE 4 HA NLE 4 -5.587 -2.791 -1.317 34 HB2 NLE 4 HB1 NLE 4 -6.173 -4.060 -4.000 35 HB3 NLE 4 HB2 NLE 4 -7.322 -3.889 -2.683 36 HG2 NLE 4 HG1 NLE 4 -6.085 -5.420 -1.317 37 HG3 NLE 4 HG2 NLE 4 -4.774 -5.476 -2.497 38 HD2 NLE 4 HD1 NLE 4 -6.220 -7.459 -2.645 39 HD3 NLE 4 HD2 NLE 4 -6.271 -6.503 -4.132 40 HE1 NLE 4 HE1 NLE 4 -8.312 -6.401 -1.913 41 HE2 NLE 4 HE2 NLE 4 -8.508 -7.244 -3.450 42 HE3 NLE 4 HE3 NLE 4 -8.368 -5.486 -3.420 43 H CYS 5 HN CYS 5 -3.543 -3.286 -0.832 44 HA CYS 5 HA CYS 5 -1.453 -2.937 -2.783 45 HB2 CYS 5 HB2 CYS 5 -1.023 -2.321 -0.460 46 HB3 CYS 5 HB1 CYS 5 -1.328 -3.977 0.054 47 H THR 6 HN THR 6 -1.256 -4.408 -4.308 48 HA THR 6 HA THR 6 -1.926 -7.188 -3.766 49 HB THR 6 HB THR 6 -2.897 -6.106 -5.751 50 HG1 THR 6 HG1 THR 6 -1.070 -8.246 -6.167 51 HG21 THR 6 HG21 THR 6 -0.049 -5.924 -6.739 52 HG22 THR 6 HG22 THR 6 -1.073 -4.565 -6.276 53 HG23 THR 6 HG23 THR 6 -1.495 -5.547 -7.676 54 H TRP 7 HN TRP 7 0.641 -5.690 -2.973 55 HA TRP 7 HA TRP 7 2.782 -6.859 -4.412 56 HB2 TRP 7 HB2 TRP 7 2.931 -4.832 -2.923 57 HB3 TRP 7 HB1 TRP 7 2.799 -5.910 -1.541 58 HD1 TRP 7 HD1 TRP 7 5.231 -4.728 -4.195 59 HE1 TRP 7 HE1 TRP 7 7.595 -5.560 -3.612 60 HE3 TRP 7 HE3 TRP 7 4.056 -7.872 -0.341 61 HZ2 TRP 7 HZ2 TRP 7 8.799 -7.314 -1.757 62 HZ3 TRP 7 HZ3 TRP 7 5.874 -9.085 0.784 63 HH2 TRP 7 HH2 TRP 7 8.193 -8.812 0.090 64 H NVA 8 HN NVX 8 2.861 -9.035 -4.584 65 HA NVA 8 HA NVX 8 2.949 -11.231 -4.047 66 HB2 NVA 8 HB1 NVX 8 4.231 -9.871 -1.714 67 HB3 NVA 8 HB2 NVX 8 4.963 -10.875 -2.956 68 HG2 NVA 8 HG1 NVX 8 4.984 -11.984 -0.798 69 HG3 NVA 8 HG2 NVX 8 3.961 -12.858 -1.951 70 HD1 NVA 8 HD NVX 8 3.094 -10.982 0.218 71 HA CYS 9 HA CYX 9 -0.418 -11.855 -1.021 72 HB2 CYS 9 HB2 CYX 9 0.226 -13.332 1.104 73 HB3 CYS 9 HB1 CYX 9 0.483 -13.955 -0.537 74 H CYS 10 HN CYS 10 0.922 -9.317 -0.419 75 HA CYS 10 HA CYS 10 0.902 -8.780 2.347 76 HB2 CYS 10 HB2 CYS 10 1.989 -7.366 0.606 77 HB3 CYS 10 HB1 CYS 10 0.397 -6.850 0.077 78 H GLY 11 HN GLY 11 -1.497 -7.821 -0.123 79 HA2 GLY 11 HA2 GLY 11 -3.773 -7.618 -0.019 80 HA3 GLY 11 HA1 GLY 11 -3.712 -8.875 1.203 81 H LYS 12 HN LYS 12 -3.139 -5.389 0.833 82 HA LYS 12 HA LYS 12 -4.612 -5.003 3.339 83 HB2 LYS 12 HB2 LYS 12 -2.134 -4.792 3.704 84 HB3 LYS 12 HB1 LYS 12 -2.135 -3.446 2.574 85 HG2 LYS 12 HG2 LYS 12 -3.464 -2.119 4.022 86 HG3 LYS 12 HG1 LYS 12 -3.792 -3.498 5.080 87 HD2 LYS 12 HD2 LYS 12 -1.495 -3.598 5.759 88 HD3 LYS 12 HD1 LYS 12 -1.046 -2.355 4.593 89 HE2 LYS 12 HE2 LYS 12 -1.191 -1.425 6.834 90 HE3 LYS 12 HE1 LYS 12 -2.434 -0.737 5.795 91 HZ1 LYS 12 HZ1 LYS 12 -2.844 -2.911 7.769 92 HZ2 LYS 12 HZ2 LYS 12 -4.040 -2.241 6.779 93 HZ3 LYS 12 HZ3 LYS 12 -3.305 -1.296 7.968 94 H ARG 13 HN ARG 13 -6.184 -3.531 3.186 95 HA ARG 13 HA ARG 13 -6.424 -2.160 0.602 96 HB2 ARG 13 HB2 ARG 13 -8.548 -2.951 2.599 97 HB3 ARG 13 HB1 ARG 13 -8.856 -2.086 1.099 98 HG2 ARG 13 HG2 ARG 13 -8.014 -3.984 -0.177 99 HG3 ARG 13 HG1 ARG 13 -7.679 -4.845 1.325 100 HD2 ARG 13 HD2 ARG 13 -10.053 -4.813 1.884 101 HD3 ARG 13 HD1 ARG 13 -10.398 -3.914 0.408 102 HE ARG 13 HE ARG 13 -9.072 -6.477 0.072 103 HH11 ARG 13 HH11 ARG 13 -12.096 -4.713 0.082 104 HH12 ARG 13 HH12 ARG 13 -12.942 -5.902 -0.852 105 HH21 ARG 13 HH21 ARG 13 -10.180 -8.041 -1.172 106 HH22 ARG 13 HH22 ARG 13 -11.848 -7.788 -1.579 107 H PHE 14 HN PHE 14 -6.934 -0.042 0.440 108 HA PHE 14 HA PHE 14 -7.137 1.553 2.904 109 HB2 PHE 14 HB2 PHE 14 -5.532 2.342 0.459 110 HB3 PHE 14 HB1 PHE 14 -5.657 3.234 1.968 111 HD1 PHE 14 HD1 PHE 14 -4.151 0.392 0.271 112 HD2 PHE 14 HD2 PHE 14 -4.464 2.517 3.938 113 HE1 PHE 14 HE1 PHE 14 -2.175 -0.798 1.123 114 HE2 PHE 14 HE2 PHE 14 -2.490 1.336 4.798 115 HZ PHE 14 HZ PHE 14 -1.346 -0.325 3.387 116 H THR 15 HN THR 15 -8.157 3.671 2.517 117 HA THR 15 HA THR 15 -10.093 3.512 0.315 118 HB THR 15 HB THR 15 -11.311 5.295 1.640 119 HG1 THR 15 HG1 THR 15 -9.783 4.484 3.867 120 HG21 THR 15 HG21 THR 15 -10.831 2.623 2.969 121 HG22 THR 15 HG22 THR 15 -12.032 2.970 1.725 122 HG23 THR 15 HG23 THR 15 -12.177 3.704 3.321 123 H ARG 16 HN ARG 16 -7.187 4.847 0.885 124 HA ARG 16 HA ARG 16 -7.724 7.113 -0.901 125 HB2 ARG 16 HB2 ARG 16 -5.954 7.207 1.554 126 HB3 ARG 16 HB1 ARG 16 -6.116 8.494 0.372 127 HG2 ARG 16 HG2 ARG 16 -8.505 8.686 0.957 128 HG3 ARG 16 HG1 ARG 16 -8.264 7.462 2.208 129 HD2 ARG 16 HD2 ARG 16 -8.164 9.698 3.169 130 HD3 ARG 16 HD1 ARG 16 -6.596 8.902 3.282 131 HE ARG 16 HE ARG 16 -7.096 10.715 1.038 132 HH11 ARG 16 HH11 ARG 16 -4.268 11.327 3.828 133 HH12 ARG 16 HH12 ARG 16 -5.421 10.049 4.044 134 HH21 ARG 16 HH21 ARG 16 -4.357 12.654 1.959 135 HH22 ARG 16 HH22 ARG 16 -5.579 12.387 0.754 136 H SER 17 HN SER 17 -6.226 7.417 -2.475 137 HA SER 17 HA SER 17 -4.499 5.241 -3.077 138 HB2 SER 17 HB2 SER 17 -5.648 6.581 -4.820 139 HB3 SER 17 HB1 SER 17 -4.640 7.966 -4.398 140 HG SER 17 HG SER 17 -3.110 5.789 -4.862 141 H ASP 18 HN ASP 18 -4.001 8.452 -1.730 142 HA ASP 18 HA ASP 18 -1.171 8.455 -1.863 143 HB2 ASP 18 HB2 ASP 18 -3.100 9.934 -0.076 144 HB3 ASP 18 HB1 ASP 18 -1.359 10.147 0.032 145 H GLU 19 HN GLU 19 -3.452 7.042 0.328 146 HA GLU 19 HA GLU 19 -1.599 6.544 2.450 147 HB2 GLU 19 HB2 GLU 19 -4.137 6.695 2.657 148 HB3 GLU 19 HB1 GLU 19 -4.198 5.096 1.937 149 HG2 GLU 19 HG2 GLU 19 -4.362 4.877 4.303 150 HG3 GLU 19 HG1 GLU 19 -2.798 4.252 3.784 151 H LEU 20 HN LEU 20 -3.018 4.648 -0.182 152 HA LEU 20 HA LEU 20 -1.610 2.256 0.273 153 HB2 LEU 20 HB2 LEU 20 -3.481 2.258 -1.212 154 HB3 LEU 20 HB1 LEU 20 -2.747 3.476 -2.239 155 HG LEU 20 HG LEU 20 -1.022 1.852 -2.921 156 HD11 LEU 20 HD11 LEU 20 -1.260 -0.500 -2.362 157 HD12 LEU 20 HD12 LEU 20 -2.626 -0.125 -1.313 158 HD13 LEU 20 HD13 LEU 20 -1.014 0.467 -0.908 159 HD21 LEU 20 HD21 LEU 20 -2.413 0.522 -4.354 160 HD22 LEU 20 HD22 LEU 20 -3.128 2.127 -4.199 161 HD23 LEU 20 HD23 LEU 20 -3.803 0.766 -3.302 162 H GLN 21 HN GLN 21 -0.816 5.120 -1.650 163 HA GLN 21 HA GLN 21 1.631 4.235 -2.688 164 HB2 GLN 21 HB2 GLN 21 0.498 6.252 -3.481 165 HB3 GLN 21 HB1 GLN 21 0.754 7.031 -1.927 166 HG2 GLN 21 HG2 GLN 21 2.324 7.885 -3.515 167 HG3 GLN 21 HG1 GLN 21 3.183 6.932 -2.308 168 HE21 GLN 21 HE21 GLN 21 3.920 7.680 -5.043 169 HE22 GLN 21 HE22 GLN 21 4.241 6.192 -5.870 170 H ARG 22 HN ARG 22 0.899 6.043 0.269 171 HA ARG 22 HA ARG 22 3.449 6.283 1.334 172 HB2 ARG 22 HB2 ARG 22 1.511 7.400 2.297 173 HB3 ARG 22 HB1 ARG 22 0.805 5.856 2.732 174 HG2 ARG 22 HG2 ARG 22 2.550 5.462 4.351 175 HG3 ARG 22 HG1 ARG 22 3.366 6.951 3.866 176 HD2 ARG 22 HD2 ARG 22 0.587 6.785 5.031 177 HD3 ARG 22 HD1 ARG 22 2.039 7.236 5.927 178 HE ARG 22 HE ARG 22 2.198 9.137 4.279 179 HH11 ARG 22 HH11 ARG 22 -1.786 9.127 4.771 180 HH12 ARG 22 HH12 ARG 22 -0.894 7.662 5.050 181 HH21 ARG 22 HH21 ARG 22 1.012 11.030 3.872 182 HH22 ARG 22 HH22 ARG 22 -0.710 11.034 4.087 183 H HIS 23 HN HIS 23 1.087 3.686 1.747 184 HA HIS 23 HA HIS 23 2.656 2.058 3.411 185 HB2 HIS 23 HB2 HIS 23 0.338 1.599 3.362 186 HB3 HIS 23 HB1 HIS 23 0.308 1.508 1.605 187 HD1 HIS 23 HD1 HIS 23 1.065 -0.584 4.654 188 HD2 HIS 23 HD2 HIS 23 1.154 -0.877 0.497 189 HE1 HIS 23 HE1 HIS 23 1.543 -3.030 4.099 190 H LYS 24 HN LYS 24 2.243 2.073 -0.124 191 HA LYS 24 HA LYS 24 3.671 -0.264 -0.660 192 HB2 LYS 24 HB2 LYS 24 2.260 0.898 -2.320 193 HB3 LYS 24 HB1 LYS 24 3.459 2.180 -2.420 194 HG2 LYS 24 HG2 LYS 24 5.096 0.623 -3.297 195 HG3 LYS 24 HG1 LYS 24 3.945 -0.705 -3.136 196 HD2 LYS 24 HD2 LYS 24 2.445 0.461 -4.720 197 HD3 LYS 24 HD1 LYS 24 3.674 1.708 -4.926 198 HE2 LYS 24 HE2 LYS 24 4.130 -1.219 -5.491 199 HE3 LYS 24 HE1 LYS 24 3.647 -0.044 -6.714 200 HZ1 LYS 24 HZ1 LYS 24 6.132 0.111 -5.085 201 HZ2 LYS 24 HZ2 LYS 24 5.673 1.176 -6.323 202 HZ3 LYS 24 HZ3 LYS 24 6.042 -0.431 -6.686 203 H ARG 25 HN ARG 25 4.809 2.900 0.181 204 HA ARG 25 HA ARG 25 7.434 2.613 -0.865 205 HB2 ARG 25 HB2 ARG 25 6.348 4.407 1.297 206 HB3 ARG 25 HB1 ARG 25 7.996 4.497 0.690 207 HG2 ARG 25 HG2 ARG 25 7.135 4.956 -1.557 208 HG3 ARG 25 HG1 ARG 25 5.489 4.906 -0.928 209 HD2 ARG 25 HD2 ARG 25 5.988 6.802 0.535 210 HD3 ARG 25 HD1 ARG 25 7.645 6.832 -0.065 211 HE ARG 25 HE ARG 25 6.191 7.078 -2.322 212 HH11 ARG 25 HH11 ARG 25 6.172 8.801 0.726 213 HH12 ARG 25 HH12 ARG 25 5.593 10.281 0.029 214 HH21 ARG 25 HH21 ARG 25 5.200 10.421 -2.223 215 HH22 ARG 25 HH22 ARG 25 5.459 9.042 -3.244 216 H THR 26 HN THR 26 5.944 0.979 1.637 217 HA THR 26 HA THR 26 8.300 0.577 3.239 218 HB THR 26 HB THR 26 7.054 -1.254 4.311 219 HG1 THR 26 HG1 THR 26 4.858 -0.622 2.613 220 HG21 THR 26 HG21 THR 26 6.685 1.025 5.107 221 HG22 THR 26 HG22 THR 26 5.214 0.062 5.247 222 HG23 THR 26 HG23 THR 26 5.382 1.230 3.937 223 H HIS 27 HN HIS 27 6.703 -1.030 0.552 224 HA HIS 27 HA HIS 27 8.569 -3.241 0.542 225 HB2 HIS 27 HB2 HIS 27 6.583 -2.487 -1.610 226 HB3 HIS 27 HB1 HIS 27 7.383 -4.037 -1.404 227 HD1 HIS 27 HD1 HIS 27 6.690 -5.096 1.228 228 HD2 HIS 27 HD2 HIS 27 4.065 -2.602 -0.842 229 HE1 HIS 27 HE1 HIS 27 4.360 -5.556 2.154 230 H THR 28 HN THR 28 7.739 -0.559 -1.621 231 HA THR 28 HA THR 28 10.402 -0.803 -2.847 232 HB THR 28 HB THR 28 9.360 0.375 -4.812 233 HG1 THR 28 HG1 THR 28 7.523 1.178 -3.605 234 HG21 THR 28 HG21 THR 28 8.160 -2.285 -4.031 235 HG22 THR 28 HG22 THR 28 9.700 -2.040 -4.855 236 HG23 THR 28 HG23 THR 28 8.190 -1.620 -5.663 237 H GLY 29 HN GLY 29 11.113 0.520 -0.998 238 HA2 GLY 29 HA2 GLY 29 10.472 3.372 -1.409 239 HA3 GLY 29 HA1 GLY 29 10.890 2.685 0.154 240 H GLU 30 HN GLU 30 12.237 4.876 -0.927 241 HA GLU 30 HA GLU 30 14.874 3.693 -1.502 242 HB2 GLU 30 HB2 GLU 30 13.728 6.292 -2.551 243 HB3 GLU 30 HB1 GLU 30 15.402 5.792 -2.749 244 HG2 GLU 30 HG2 GLU 30 14.690 3.855 -4.039 245 HG3 GLU 30 HG1 GLU 30 13.003 4.324 -3.827 246 H LYS 31 HN LYS 31 15.188 3.652 0.773 247 HA LYS 31 HA LYS 31 15.161 6.158 2.226 248 HB2 LYS 31 HB2 LYS 31 15.928 3.367 3.106 249 HB3 LYS 31 HB1 LYS 31 15.790 4.761 4.165 250 HG2 LYS 31 HG2 LYS 31 13.407 4.924 3.628 251 HG3 LYS 31 HG1 LYS 31 13.553 3.508 2.588 252 HD2 LYS 31 HD2 LYS 31 14.216 2.152 4.499 253 HD3 LYS 31 HD1 LYS 31 14.137 3.567 5.550 254 HE2 LYS 31 HE2 LYS 31 11.830 2.323 4.053 255 HE3 LYS 31 HE1 LYS 31 12.133 2.194 5.784 256 HZ1 LYS 31 HZ1 LYS 31 11.507 4.683 4.292 257 HZ2 LYS 31 HZ2 LYS 31 11.874 4.613 5.943 258 HZ3 LYS 31 HZ3 LYS 31 10.478 3.866 5.353 259 HN1 NH2 32 HN1 NH2 32 16.811 7.053 0.793 260 HN2 NH2 32 HN2 NH2 32 18.477 6.774 1.171 Start of MODEL 9 1 H1 ARG 1 HT1 ARG 1 -12.814 4.213 -2.466 2 H2 ARG 1 HT2 ARG 1 -13.981 3.005 -2.295 3 H3 ARG 1 HT3 ARG 1 -14.109 4.132 -3.547 4 HA ARG 1 HA ARG 1 -13.333 2.027 -4.385 5 HB2 ARG 1 HB2 ARG 1 -11.247 4.218 -4.344 6 HB3 ARG 1 HB1 ARG 1 -11.170 2.817 -5.400 7 HG2 ARG 1 HG2 ARG 1 -13.362 3.517 -6.361 8 HG3 ARG 1 HG1 ARG 1 -13.239 4.998 -5.412 9 HD2 ARG 1 HD2 ARG 1 -11.092 5.496 -6.523 10 HD3 ARG 1 HD1 ARG 1 -11.289 4.046 -7.505 11 HE ARG 1 HE ARG 1 -13.473 5.932 -7.656 12 HH11 ARG 1 HH11 ARG 1 -10.728 5.616 -10.570 13 HH12 ARG 1 HH12 ARG 1 -10.438 4.867 -9.031 14 HH21 ARG 1 HH21 ARG 1 -12.672 6.789 -10.932 15 HH22 ARG 1 HH22 ARG 1 -13.853 6.929 -9.671 16 HA PRO 2 HA PRO 2 -10.653 -0.178 -1.599 17 HB2 PRO 2 HB2 PRO 2 -10.440 -2.472 -2.952 18 HB3 PRO 2 HB1 PRO 2 -11.966 -1.983 -2.198 19 HG2 PRO 2 HG2 PRO 2 -11.137 -1.866 -5.061 20 HG3 PRO 2 HG1 PRO 2 -12.718 -2.249 -4.371 21 HD2 PRO 2 HD2 PRO 2 -11.963 0.219 -5.417 22 HD3 PRO 2 HD1 PRO 2 -13.340 -0.060 -4.331 23 H PHE 3 HN PHE 3 -8.736 1.031 -1.733 24 HA PHE 3 HA PHE 3 -6.901 0.498 -3.921 25 HB2 PHE 3 HB2 PHE 3 -6.618 2.158 -1.411 26 HB3 PHE 3 HB1 PHE 3 -5.344 1.964 -2.604 27 HD1 PHE 3 HD1 PHE 3 -5.755 2.738 -4.955 28 HD2 PHE 3 HD2 PHE 3 -8.332 3.740 -1.721 29 HE1 PHE 3 HE1 PHE 3 -6.679 4.598 -6.273 30 HE2 PHE 3 HE2 PHE 3 -9.261 5.600 -3.032 31 HZ PHE 3 HZ PHE 3 -8.438 6.031 -5.313 32 H NLE 4 HN NLE 4 -6.393 -1.611 -3.817 33 HA NLE 4 HA NLE 4 -5.545 -2.752 -1.260 34 HB2 NLE 4 HB1 NLE 4 -6.296 -4.055 -3.884 35 HB3 NLE 4 HB2 NLE 4 -7.301 -3.955 -2.447 36 HG2 NLE 4 HG1 NLE 4 -5.750 -5.397 -1.242 37 HG3 NLE 4 HG2 NLE 4 -4.709 -5.475 -2.667 38 HD2 NLE 4 HD1 NLE 4 -6.567 -6.499 -3.935 39 HD3 NLE 4 HD2 NLE 4 -7.553 -6.477 -2.466 40 HE1 NLE 4 HE1 NLE 4 -4.931 -7.928 -2.804 41 HE2 NLE 4 HE2 NLE 4 -6.531 -8.667 -2.820 42 HE3 NLE 4 HE3 NLE 4 -5.927 -7.909 -1.350 43 H CYS 5 HN CYS 5 -3.497 -3.136 -0.845 44 HA CYS 5 HA CYS 5 -1.448 -2.714 -2.801 45 HB2 CYS 5 HB2 CYS 5 -0.987 -2.135 -0.500 46 HB3 CYS 5 HB1 CYS 5 -1.344 -3.772 0.027 47 H THR 6 HN THR 6 -1.100 -4.143 -4.351 48 HA THR 6 HA THR 6 -1.870 -6.920 -3.908 49 HB THR 6 HB THR 6 -1.563 -7.070 -6.424 50 HG1 THR 6 HG1 THR 6 -0.846 -5.361 -7.436 51 HG21 THR 6 HG21 THR 6 -3.683 -5.909 -6.893 52 HG22 THR 6 HG22 THR 6 -3.571 -5.096 -5.333 53 HG23 THR 6 HG23 THR 6 -3.765 -6.846 -5.401 54 H TRP 7 HN TRP 7 0.686 -5.643 -2.947 55 HA TRP 7 HA TRP 7 2.807 -6.857 -4.414 56 HB2 TRP 7 HB2 TRP 7 3.031 -4.889 -2.843 57 HB3 TRP 7 HB1 TRP 7 2.831 -6.017 -1.510 58 HD1 TRP 7 HD1 TRP 7 5.282 -5.150 -4.331 59 HE1 TRP 7 HE1 TRP 7 7.617 -6.024 -3.689 60 HE3 TRP 7 HE3 TRP 7 4.055 -7.689 -0.068 61 HZ2 TRP 7 HZ2 TRP 7 8.777 -7.577 -1.636 62 HZ3 TRP 7 HZ3 TRP 7 5.839 -8.836 1.174 63 HH2 TRP 7 HH2 TRP 7 8.148 -8.782 0.405 64 H NVA 8 HN NVX 8 2.740 -8.994 -4.668 65 HA NVA 8 HA NVX 8 2.258 -11.188 -4.319 66 HB2 NVA 8 HB1 NVX 8 4.611 -10.784 -3.511 67 HB3 NVA 8 HB2 NVX 8 3.832 -12.258 -2.955 68 HG2 NVA 8 HG1 NVX 8 4.239 -9.731 -1.386 69 HG3 NVA 8 HG2 NVX 8 5.045 -11.286 -1.146 70 HD1 NVA 8 HD NVX 8 2.931 -10.542 0.278 71 HA CYS 9 HA CYX 9 -0.199 -12.138 -0.690 72 HB2 CYS 9 HB2 CYX 9 1.250 -12.896 1.567 73 HB3 CYS 9 HB1 CYX 9 1.013 -13.891 0.123 74 H CYS 10 HN CYS 10 1.034 -9.256 -0.310 75 HA CYS 10 HA CYS 10 0.620 -8.656 2.436 76 HB2 CYS 10 HB2 CYS 10 2.035 -7.298 0.929 77 HB3 CYS 10 HB1 CYS 10 0.599 -6.800 0.053 78 H GLY 11 HN GLY 11 -1.273 -7.492 -0.361 79 HA2 GLY 11 HA2 GLY 11 -3.513 -7.144 -0.625 80 HA3 GLY 11 HA1 GLY 11 -3.722 -8.541 0.414 81 H LYS 12 HN LYS 12 -2.446 -5.289 1.075 82 HA LYS 12 HA LYS 12 -4.407 -5.064 3.241 83 HB2 LYS 12 HB2 LYS 12 -1.900 -4.663 3.615 84 HB3 LYS 12 HB1 LYS 12 -2.120 -3.169 2.712 85 HG2 LYS 12 HG2 LYS 12 -3.580 -2.284 4.339 86 HG3 LYS 12 HG1 LYS 12 -3.735 -3.847 5.155 87 HD2 LYS 12 HD2 LYS 12 -1.284 -3.729 5.652 88 HD3 LYS 12 HD1 LYS 12 -1.293 -2.083 5.020 89 HE2 LYS 12 HE2 LYS 12 -2.960 -3.081 7.326 90 HE3 LYS 12 HE1 LYS 12 -1.473 -2.144 7.472 91 HZ1 LYS 12 HZ1 LYS 12 -3.458 -0.769 7.679 92 HZ2 LYS 12 HZ2 LYS 12 -3.951 -1.212 6.125 93 HZ3 LYS 12 HZ3 LYS 12 -2.533 -0.316 6.340 94 H ARG 13 HN ARG 13 -5.985 -3.524 3.234 95 HA ARG 13 HA ARG 13 -6.357 -2.206 0.632 96 HB2 ARG 13 HB2 ARG 13 -8.405 -3.129 2.650 97 HB3 ARG 13 HB1 ARG 13 -8.769 -2.359 1.112 98 HG2 ARG 13 HG2 ARG 13 -7.940 -4.208 -0.112 99 HG3 ARG 13 HG1 ARG 13 -7.224 -4.920 1.334 100 HD2 ARG 13 HD2 ARG 13 -9.293 -6.064 0.674 101 HD3 ARG 13 HD1 ARG 13 -9.436 -5.311 2.260 102 HE ARG 13 HE ARG 13 -10.394 -3.455 0.471 103 HH11 ARG 13 HH11 ARG 13 -11.191 -6.725 1.415 104 HH12 ARG 13 HH12 ARG 13 -12.869 -6.571 1.007 105 HH21 ARG 13 HH21 ARG 13 -12.600 -3.244 -0.066 106 HH22 ARG 13 HH22 ARG 13 -13.673 -4.591 0.152 107 H PHE 14 HN PHE 14 -6.886 -0.096 0.482 108 HA PHE 14 HA PHE 14 -7.172 1.464 2.967 109 HB2 PHE 14 HB2 PHE 14 -5.579 2.341 0.545 110 HB3 PHE 14 HB1 PHE 14 -5.718 3.184 2.082 111 HD1 PHE 14 HD1 PHE 14 -4.138 0.457 0.280 112 HD2 PHE 14 HD2 PHE 14 -4.533 2.393 4.043 113 HE1 PHE 14 HE1 PHE 14 -2.143 -0.726 1.092 114 HE2 PHE 14 HE2 PHE 14 -2.539 1.209 4.863 115 HZ PHE 14 HZ PHE 14 -1.344 -0.347 3.385 116 H THR 15 HN THR 15 -8.189 3.585 2.608 117 HA THR 15 HA THR 15 -10.174 3.460 0.455 118 HB THR 15 HB THR 15 -11.221 5.375 1.782 119 HG1 THR 15 HG1 THR 15 -10.506 5.438 4.004 120 HG21 THR 15 HG21 THR 15 -12.132 3.126 1.884 121 HG22 THR 15 HG22 THR 15 -12.160 3.849 3.490 122 HG23 THR 15 HG23 THR 15 -10.924 2.662 3.080 123 H ARG 16 HN ARG 16 -7.210 4.766 0.947 124 HA ARG 16 HA ARG 16 -7.760 7.040 -0.822 125 HB2 ARG 16 HB2 ARG 16 -6.023 7.080 1.656 126 HB3 ARG 16 HB1 ARG 16 -6.106 8.379 0.478 127 HG2 ARG 16 HG2 ARG 16 -8.496 8.655 0.983 128 HG3 ARG 16 HG1 ARG 16 -8.363 7.392 2.209 129 HD2 ARG 16 HD2 ARG 16 -8.226 9.606 3.222 130 HD3 ARG 16 HD1 ARG 16 -6.708 8.734 3.407 131 HE ARG 16 HE ARG 16 -7.029 10.664 1.214 132 HH11 ARG 16 HH11 ARG 16 -4.174 10.852 4.040 133 HH12 ARG 16 HH12 ARG 16 -5.463 9.705 4.198 134 HH21 ARG 16 HH21 ARG 16 -4.108 12.265 2.230 135 HH22 ARG 16 HH22 ARG 16 -5.338 12.180 1.008 136 H SER 17 HN SER 17 -6.254 7.402 -2.375 137 HA SER 17 HA SER 17 -4.542 5.228 -3.053 138 HB2 SER 17 HB2 SER 17 -3.887 6.789 -4.955 139 HB3 SER 17 HB1 SER 17 -5.600 6.384 -4.848 140 HG SER 17 HG SER 17 -4.395 8.800 -4.675 141 H ASP 18 HN ASP 18 -4.077 8.468 -1.773 142 HA ASP 18 HA ASP 18 -1.270 8.566 -1.845 143 HB2 ASP 18 HB2 ASP 18 -3.187 9.804 0.143 144 HB3 ASP 18 HB1 ASP 18 -1.478 10.199 0.034 145 H GLU 19 HN GLU 19 -3.503 7.017 0.326 146 HA GLU 19 HA GLU 19 -1.612 6.524 2.407 147 HB2 GLU 19 HB2 GLU 19 -4.231 6.572 2.500 148 HB3 GLU 19 HB1 GLU 19 -4.093 4.887 2.020 149 HG2 GLU 19 HG2 GLU 19 -4.282 5.058 4.416 150 HG3 GLU 19 HG1 GLU 19 -2.682 4.456 3.973 151 H LEU 20 HN LEU 20 -3.047 4.613 -0.196 152 HA LEU 20 HA LEU 20 -1.631 2.234 0.229 153 HB2 LEU 20 HB2 LEU 20 -3.491 2.228 -1.260 154 HB3 LEU 20 HB1 LEU 20 -2.778 3.476 -2.266 155 HG LEU 20 HG LEU 20 -1.019 1.886 -2.962 156 HD11 LEU 20 HD11 LEU 20 -1.251 -0.479 -2.459 157 HD12 LEU 20 HD12 LEU 20 -2.623 -0.132 -1.409 158 HD13 LEU 20 HD13 LEU 20 -1.016 0.463 -0.987 159 HD21 LEU 20 HD21 LEU 20 -2.399 0.546 -4.423 160 HD22 LEU 20 HD22 LEU 20 -3.072 2.171 -4.288 161 HD23 LEU 20 HD23 LEU 20 -3.806 0.832 -3.402 162 H GLN 21 HN GLN 21 -0.836 5.083 -1.728 163 HA GLN 21 HA GLN 21 1.553 4.086 -2.819 164 HB2 GLN 21 HB2 GLN 21 0.263 6.151 -3.536 165 HB3 GLN 21 HB1 GLN 21 0.999 6.984 -2.173 166 HG2 GLN 21 HG2 GLN 21 2.208 7.468 -4.197 167 HG3 GLN 21 HG1 GLN 21 3.218 6.523 -3.105 168 HE21 GLN 21 HE21 GLN 21 4.525 5.798 -4.786 169 HE22 GLN 21 HE22 GLN 21 3.986 4.616 -5.929 170 H ARG 22 HN ARG 22 0.921 5.991 0.102 171 HA ARG 22 HA ARG 22 3.574 6.261 0.978 172 HB2 ARG 22 HB2 ARG 22 1.682 7.534 1.920 173 HB3 ARG 22 HB1 ARG 22 1.047 6.061 2.628 174 HG2 ARG 22 HG2 ARG 22 2.968 5.880 4.077 175 HG3 ARG 22 HG1 ARG 22 3.702 7.298 3.320 176 HD2 ARG 22 HD2 ARG 22 1.809 8.662 4.069 177 HD3 ARG 22 HD1 ARG 22 1.095 7.247 4.838 178 HE ARG 22 HE ARG 22 3.406 7.292 6.088 179 HH11 ARG 22 HH11 ARG 22 1.828 10.954 6.602 180 HH12 ARG 22 HH12 ARG 22 1.328 9.979 5.261 181 HH21 ARG 22 HH21 ARG 22 4.055 8.556 7.877 182 HH22 ARG 22 HH22 ARG 22 3.382 10.140 8.100 183 H HIS 23 HN HIS 23 1.122 3.807 1.705 184 HA HIS 23 HA HIS 23 2.679 2.212 3.403 185 HB2 HIS 23 HB2 HIS 23 0.367 1.757 3.409 186 HB3 HIS 23 HB1 HIS 23 0.293 1.651 1.655 187 HD1 HIS 23 HD1 HIS 23 1.030 -0.435 4.705 188 HD2 HIS 23 HD2 HIS 23 1.132 -0.766 0.548 189 HE1 HIS 23 HE1 HIS 23 1.452 -2.895 4.172 190 H LYS 24 HN LYS 24 2.251 2.131 -0.112 191 HA LYS 24 HA LYS 24 3.575 -0.248 -0.659 192 HB2 LYS 24 HB2 LYS 24 2.227 1.177 -2.253 193 HB3 LYS 24 HB1 LYS 24 3.649 2.196 -2.426 194 HG2 LYS 24 HG2 LYS 24 3.567 0.680 -4.266 195 HG3 LYS 24 HG1 LYS 24 4.905 0.207 -3.218 196 HD2 LYS 24 HD2 LYS 24 3.525 -1.539 -2.225 197 HD3 LYS 24 HD1 LYS 24 2.162 -1.049 -3.230 198 HE2 LYS 24 HE2 LYS 24 4.802 -2.123 -4.224 199 HE3 LYS 24 HE1 LYS 24 3.284 -3.017 -4.145 200 HZ1 LYS 24 HZ1 LYS 24 2.331 -1.373 -5.688 201 HZ2 LYS 24 HZ2 LYS 24 3.626 -2.223 -6.361 202 HZ3 LYS 24 HZ3 LYS 24 3.848 -0.636 -5.825 203 H ARG 25 HN ARG 25 4.868 2.870 0.161 204 HA ARG 25 HA ARG 25 7.496 2.464 -0.824 205 HB2 ARG 25 HB2 ARG 25 6.529 4.277 1.386 206 HB3 ARG 25 HB1 ARG 25 8.128 4.339 0.659 207 HG2 ARG 25 HG2 ARG 25 7.087 4.851 -1.519 208 HG3 ARG 25 HG1 ARG 25 5.508 4.880 -0.729 209 HD2 ARG 25 HD2 ARG 25 6.316 6.690 0.746 210 HD3 ARG 25 HD1 ARG 25 7.854 6.675 -0.111 211 HE ARG 25 HE ARG 25 5.832 7.047 -1.997 212 HH11 ARG 25 HH11 ARG 25 7.266 8.733 0.709 213 HH12 ARG 25 HH12 ARG 25 6.892 10.312 0.093 214 HH21 ARG 25 HH21 ARG 25 5.792 10.542 -1.906 215 HH22 ARG 25 HH22 ARG 25 5.331 9.136 -2.813 216 H THR 26 HN THR 26 5.906 0.908 1.685 217 HA THR 26 HA THR 26 8.203 0.502 3.369 218 HB THR 26 HB THR 26 6.871 -1.251 4.473 219 HG1 THR 26 HG1 THR 26 4.691 -0.601 2.784 220 HG21 THR 26 HG21 THR 26 6.576 1.065 5.189 221 HG22 THR 26 HG22 THR 26 5.057 0.174 5.311 222 HG23 THR 26 HG23 THR 26 5.318 1.289 3.971 223 H HIS 27 HN HIS 27 6.706 -1.114 0.640 224 HA HIS 27 HA HIS 27 8.525 -3.376 0.838 225 HB2 HIS 27 HB2 HIS 27 6.627 -2.781 -1.431 226 HB3 HIS 27 HB1 HIS 27 7.385 -4.316 -1.051 227 HD1 HIS 27 HD1 HIS 27 6.522 -5.233 1.539 228 HD2 HIS 27 HD2 HIS 27 4.102 -2.689 -0.709 229 HE1 HIS 27 HE1 HIS 27 4.138 -5.537 2.402 230 H THR 28 HN THR 28 7.674 -1.000 -1.652 231 HA THR 28 HA THR 28 10.362 -0.485 -2.390 232 HB THR 28 HB THR 28 10.335 -2.682 -3.344 233 HG1 THR 28 HG1 THR 28 11.351 -1.810 -4.954 234 HG21 THR 28 HG21 THR 28 8.700 -3.372 -5.060 235 HG22 THR 28 HG22 THR 28 7.796 -1.885 -4.770 236 HG23 THR 28 HG23 THR 28 7.951 -3.089 -3.489 237 H GLY 29 HN GLY 29 9.549 1.628 -2.151 238 HA2 GLY 29 HA2 GLY 29 8.319 2.654 -4.580 239 HA3 GLY 29 HA1 GLY 29 7.409 2.910 -3.099 240 H GLU 30 HN GLU 30 10.769 2.846 -2.674 241 HA GLU 30 HA GLU 30 10.896 5.785 -2.713 242 HB2 GLU 30 HB2 GLU 30 10.644 4.898 -0.404 243 HB3 GLU 30 HB1 GLU 30 12.100 3.941 -0.634 244 HG2 GLU 30 HG2 GLU 30 13.402 5.990 -0.908 245 HG3 GLU 30 HG1 GLU 30 11.942 6.946 -0.655 246 H LYS 31 HN LYS 31 11.753 5.040 -4.917 247 HA LYS 31 HA LYS 31 14.515 4.094 -4.772 248 HB2 LYS 31 HB2 LYS 31 12.681 4.474 -7.144 249 HB3 LYS 31 HB1 LYS 31 14.332 3.885 -7.244 250 HG2 LYS 31 HG2 LYS 31 13.747 1.936 -5.932 251 HG3 LYS 31 HG1 LYS 31 12.097 2.534 -5.746 252 HD2 LYS 31 HD2 LYS 31 11.783 2.415 -8.168 253 HD3 LYS 31 HD1 LYS 31 13.437 1.829 -8.354 254 HE2 LYS 31 HE2 LYS 31 12.896 -0.161 -7.061 255 HE3 LYS 31 HE1 LYS 31 11.254 0.434 -6.805 256 HZ1 LYS 31 HZ1 LYS 31 12.461 -0.232 -9.436 257 HZ2 LYS 31 HZ2 LYS 31 10.884 0.325 -9.187 258 HZ3 LYS 31 HZ3 LYS 31 11.350 -1.186 -8.592 259 HN1 NH2 32 HN1 NH2 32 12.769 6.523 -6.665 260 HN2 NH2 32 HN2 NH2 32 14.015 7.722 -6.614 Start of MODEL 10 1 H1 ARG 1 HT1 ARG 1 -14.701 3.355 -5.078 2 H2 ARG 1 HT2 ARG 1 -13.415 4.074 -4.249 3 H3 ARG 1 HT3 ARG 1 -14.426 2.980 -3.453 4 HA ARG 1 HA ARG 1 -13.684 1.197 -4.880 5 HB2 ARG 1 HB2 ARG 1 -11.801 3.301 -5.967 6 HB3 ARG 1 HB1 ARG 1 -11.717 1.585 -6.336 7 HG2 ARG 1 HG2 ARG 1 -13.939 1.719 -7.376 8 HG3 ARG 1 HG1 ARG 1 -13.970 3.453 -7.044 9 HD2 ARG 1 HD2 ARG 1 -12.017 1.979 -8.806 10 HD3 ARG 1 HD1 ARG 1 -13.284 3.083 -9.332 11 HE ARG 1 HE ARG 1 -12.016 4.840 -8.079 12 HH11 ARG 1 HH11 ARG 1 -8.847 2.756 -9.420 13 HH12 ARG 1 HH12 ARG 1 -10.389 1.981 -9.280 14 HH21 ARG 1 HH21 ARG 1 -8.610 4.964 -8.831 15 HH22 ARG 1 HH22 ARG 1 -9.974 5.860 -8.242 16 HA PRO 2 HA PRO 2 -10.731 0.939 -1.536 17 HB2 PRO 2 HB2 PRO 2 -10.466 -1.727 -1.471 18 HB3 PRO 2 HB1 PRO 2 -11.948 -0.928 -0.919 19 HG2 PRO 2 HG2 PRO 2 -11.402 -2.359 -3.475 20 HG3 PRO 2 HG1 PRO 2 -12.879 -2.324 -2.505 21 HD2 PRO 2 HD2 PRO 2 -12.404 -0.807 -4.790 22 HD3 PRO 2 HD1 PRO 2 -13.650 -0.467 -3.571 23 H PHE 3 HN PHE 3 -8.602 1.167 -1.563 24 HA PHE 3 HA PHE 3 -7.116 0.378 -3.947 25 HB2 PHE 3 HB2 PHE 3 -6.356 2.119 -1.594 26 HB3 PHE 3 HB1 PHE 3 -5.322 1.801 -2.978 27 HD1 PHE 3 HD1 PHE 3 -5.991 2.593 -5.226 28 HD2 PHE 3 HD2 PHE 3 -8.090 3.735 -1.704 29 HE1 PHE 3 HE1 PHE 3 -7.021 4.460 -6.451 30 HE2 PHE 3 HE2 PHE 3 -9.125 5.603 -2.922 31 HZ PHE 3 HZ PHE 3 -8.595 5.969 -5.299 32 H NLE 4 HN NLE 4 -6.349 -1.615 -3.910 33 HA NLE 4 HA NLE 4 -5.615 -2.798 -1.325 34 HB2 NLE 4 HB1 NLE 4 -6.316 -4.150 -3.939 35 HB3 NLE 4 HB2 NLE 4 -7.421 -3.911 -2.593 36 HG2 NLE 4 HG1 NLE 4 -5.958 -5.327 -1.189 37 HG3 NLE 4 HG2 NLE 4 -4.946 -5.626 -2.605 38 HD2 NLE 4 HD1 NLE 4 -6.839 -6.637 -3.767 39 HD3 NLE 4 HD2 NLE 4 -7.884 -6.301 -2.377 40 HE1 NLE 4 HE1 NLE 4 -7.127 -8.619 -2.365 41 HE2 NLE 4 HE2 NLE 4 -6.480 -7.737 -0.982 42 HE3 NLE 4 HE3 NLE 4 -5.450 -8.078 -2.372 43 H CYS 5 HN CYS 5 -3.581 -3.233 -0.896 44 HA CYS 5 HA CYS 5 -1.501 -2.707 -2.771 45 HB2 CYS 5 HB2 CYS 5 -1.166 -2.291 -0.386 46 HB3 CYS 5 HB1 CYS 5 -1.402 -4.000 -0.040 47 H THR 6 HN THR 6 -1.495 -4.046 -4.483 48 HA THR 6 HA THR 6 -1.737 -6.919 -4.117 49 HB THR 6 HB THR 6 -1.203 -5.530 -6.735 50 HG1 THR 6 HG1 THR 6 -3.252 -5.048 -5.109 51 HG21 THR 6 HG21 THR 6 -2.763 -8.016 -5.996 52 HG22 THR 6 HG22 THR 6 -1.146 -7.989 -6.699 53 HG23 THR 6 HG23 THR 6 -2.521 -7.397 -7.629 54 H TRP 7 HN TRP 7 0.355 -6.413 -2.777 55 HA TRP 7 HA TRP 7 2.683 -6.906 -4.505 56 HB2 TRP 7 HB2 TRP 7 2.730 -4.780 -3.154 57 HB3 TRP 7 HB1 TRP 7 2.685 -5.768 -1.701 58 HD1 TRP 7 HD1 TRP 7 5.016 -4.616 -4.461 59 HE1 TRP 7 HE1 TRP 7 7.429 -5.278 -3.858 60 HE3 TRP 7 HE3 TRP 7 4.060 -7.573 -0.404 61 HZ2 TRP 7 HZ2 TRP 7 8.746 -6.847 -1.916 62 HZ3 TRP 7 HZ3 TRP 7 5.952 -8.612 0.765 63 HH2 TRP 7 HH2 TRP 7 8.243 -8.258 0.025 64 H NVA 8 HN NVX 8 3.070 -9.049 -4.500 65 HA NVA 8 HA NVX 8 3.257 -11.206 -3.827 66 HB2 NVA 8 HB1 NVX 8 4.246 -9.636 -1.477 67 HB3 NVA 8 HB2 NVX 8 5.151 -10.630 -2.607 68 HG2 NVA 8 HG1 NVX 8 5.077 -11.640 -0.400 69 HG3 NVA 8 HG2 NVX 8 4.227 -12.640 -1.588 70 HD1 NVA 8 HD NVX 8 3.052 -10.785 0.448 71 HA CYS 9 HA CYX 9 -0.303 -11.830 -1.021 72 HB2 CYS 9 HB2 CYX 9 0.267 -13.196 1.210 73 HB3 CYS 9 HB1 CYX 9 0.616 -13.876 -0.390 74 H CYS 10 HN CYS 10 0.928 -9.218 -0.403 75 HA CYS 10 HA CYS 10 0.559 -8.651 2.363 76 HB2 CYS 10 HB2 CYS 10 1.991 -7.323 0.810 77 HB3 CYS 10 HB1 CYS 10 0.538 -6.739 0.019 78 H GLY 11 HN GLY 11 -1.335 -7.407 -0.414 79 HA2 GLY 11 HA2 GLY 11 -3.587 -7.109 -0.684 80 HA3 GLY 11 HA1 GLY 11 -3.766 -8.520 0.338 81 H LYS 12 HN LYS 12 -2.458 -5.350 1.238 82 HA LYS 12 HA LYS 12 -4.583 -5.099 3.229 83 HB2 LYS 12 HB2 LYS 12 -2.183 -4.724 3.880 84 HB3 LYS 12 HB1 LYS 12 -2.169 -3.318 2.824 85 HG2 LYS 12 HG2 LYS 12 -3.782 -2.198 4.163 86 HG3 LYS 12 HG1 LYS 12 -4.070 -3.650 5.130 87 HD2 LYS 12 HD2 LYS 12 -1.766 -3.547 5.959 88 HD3 LYS 12 HD1 LYS 12 -1.488 -2.087 5.009 89 HE2 LYS 12 HE2 LYS 12 -3.294 -0.964 6.266 90 HE3 LYS 12 HE1 LYS 12 -3.488 -2.417 7.244 91 HZ1 LYS 12 HZ1 LYS 12 -1.001 -0.806 7.076 92 HZ2 LYS 12 HZ2 LYS 12 -1.254 -2.149 8.069 93 HZ3 LYS 12 HZ3 LYS 12 -2.124 -0.723 8.334 94 H ARG 13 HN ARG 13 -6.129 -3.497 3.153 95 HA ARG 13 HA ARG 13 -6.260 -2.092 0.571 96 HB2 ARG 13 HB2 ARG 13 -8.519 -3.009 2.355 97 HB3 ARG 13 HB1 ARG 13 -8.713 -2.143 0.838 98 HG2 ARG 13 HG2 ARG 13 -7.683 -3.997 -0.360 99 HG3 ARG 13 HG1 ARG 13 -7.467 -4.862 1.162 100 HD2 ARG 13 HD2 ARG 13 -10.092 -4.053 -0.083 101 HD3 ARG 13 HD1 ARG 13 -9.425 -5.683 -0.022 102 HE ARG 13 HE ARG 13 -9.750 -4.454 2.560 103 HH11 ARG 13 HH11 ARG 13 -11.292 -6.354 0.064 104 HH12 ARG 13 HH12 ARG 13 -12.467 -7.042 1.139 105 HH21 ARG 13 HH21 ARG 13 -11.300 -5.345 3.974 106 HH22 ARG 13 HH22 ARG 13 -12.464 -6.479 3.366 107 H PHE 14 HN PHE 14 -6.864 0.018 0.457 108 HA PHE 14 HA PHE 14 -7.131 1.505 2.982 109 HB2 PHE 14 HB2 PHE 14 -5.499 2.391 0.590 110 HB3 PHE 14 HB1 PHE 14 -5.650 3.234 2.128 111 HD1 PHE 14 HD1 PHE 14 -4.111 0.449 0.363 112 HD2 PHE 14 HD2 PHE 14 -4.490 2.456 4.090 113 HE1 PHE 14 HE1 PHE 14 -2.149 -0.766 1.210 114 HE2 PHE 14 HE2 PHE 14 -2.528 1.247 4.947 115 HZ PHE 14 HZ PHE 14 -1.356 -0.363 3.503 116 H THR 15 HN THR 15 -8.193 3.576 2.742 117 HA THR 15 HA THR 15 -10.134 3.584 0.554 118 HB THR 15 HB THR 15 -11.184 5.450 1.932 119 HG1 THR 15 HG1 THR 15 -9.506 4.467 4.013 120 HG21 THR 15 HG21 THR 15 -10.874 2.726 3.208 121 HG22 THR 15 HG22 THR 15 -12.068 3.177 1.991 122 HG23 THR 15 HG23 THR 15 -12.132 3.896 3.599 123 H ARG 16 HN ARG 16 -7.154 4.796 1.100 124 HA ARG 16 HA ARG 16 -7.618 7.151 -0.594 125 HB2 ARG 16 HB2 ARG 16 -5.732 6.932 1.760 126 HB3 ARG 16 HB1 ARG 16 -5.775 8.286 0.645 127 HG2 ARG 16 HG2 ARG 16 -8.016 8.841 1.355 128 HG3 ARG 16 HG1 ARG 16 -8.054 7.426 2.412 129 HD2 ARG 16 HD2 ARG 16 -6.273 8.325 3.759 130 HD3 ARG 16 HD1 ARG 16 -6.054 9.669 2.647 131 HE ARG 16 HE ARG 16 -8.694 9.717 3.567 132 HH11 ARG 16 HH11 ARG 16 -5.925 11.281 6.016 133 HH12 ARG 16 HH12 ARG 16 -5.457 10.133 4.807 134 HH21 ARG 16 HH21 ARG 16 -8.131 11.899 6.229 135 HH22 ARG 16 HH22 ARG 16 -9.326 11.226 5.168 136 H SER 17 HN SER 17 -6.298 7.318 -2.310 137 HA SER 17 HA SER 17 -4.727 5.084 -3.077 138 HB2 SER 17 HB2 SER 17 -4.097 6.692 -4.997 139 HB3 SER 17 HB1 SER 17 -5.795 6.241 -4.830 140 HG SER 17 HG SER 17 -4.890 8.645 -4.942 141 H ASP 18 HN ASP 18 -3.965 8.334 -1.928 142 HA ASP 18 HA ASP 18 -1.149 8.102 -2.207 143 HB2 ASP 18 HB2 ASP 18 -2.792 9.891 -0.410 144 HB3 ASP 18 HB1 ASP 18 -1.058 10.041 -0.651 145 H GLU 19 HN GLU 19 -3.411 7.034 0.157 146 HA GLU 19 HA GLU 19 -1.528 6.623 2.269 147 HB2 GLU 19 HB2 GLU 19 -4.034 6.896 2.536 148 HB3 GLU 19 HB1 GLU 19 -4.205 5.272 1.895 149 HG2 GLU 19 HG2 GLU 19 -3.051 4.342 3.754 150 HG3 GLU 19 HG1 GLU 19 -2.616 5.942 4.355 151 H LEU 20 HN LEU 20 -3.047 4.631 -0.225 152 HA LEU 20 HA LEU 20 -1.697 2.232 0.294 153 HB2 LEU 20 HB2 LEU 20 -3.509 2.192 -1.240 154 HB3 LEU 20 HB1 LEU 20 -2.780 3.429 -2.248 155 HG LEU 20 HG LEU 20 -0.988 1.826 -2.868 156 HD11 LEU 20 HD11 LEU 20 -1.236 -0.523 -2.354 157 HD12 LEU 20 HD12 LEU 20 -2.668 -0.181 -1.383 158 HD13 LEU 20 HD13 LEU 20 -1.088 0.422 -0.872 159 HD21 LEU 20 HD21 LEU 20 -2.289 0.544 -4.405 160 HD22 LEU 20 HD22 LEU 20 -3.054 2.123 -4.230 161 HD23 LEU 20 HD23 LEU 20 -3.731 0.718 -3.409 162 H GLN 21 HN GLN 21 -0.811 4.982 -1.771 163 HA GLN 21 HA GLN 21 1.594 3.927 -2.732 164 HB2 GLN 21 HB2 GLN 21 0.703 6.773 -2.310 165 HB3 GLN 21 HB1 GLN 21 2.231 6.356 -3.073 166 HG2 GLN 21 HG2 GLN 21 -0.488 5.512 -4.052 167 HG3 GLN 21 HG1 GLN 21 0.471 6.841 -4.703 168 HE21 GLN 21 HE21 GLN 21 2.333 6.390 -5.872 169 HE22 GLN 21 HE22 GLN 21 2.648 4.819 -6.531 170 H ARG 22 HN ARG 22 0.972 5.962 0.126 171 HA ARG 22 HA ARG 22 3.628 6.171 0.977 172 HB2 ARG 22 HB2 ARG 22 1.770 7.495 1.944 173 HB3 ARG 22 HB1 ARG 22 1.164 6.046 2.726 174 HG2 ARG 22 HG2 ARG 22 3.224 5.867 4.017 175 HG3 ARG 22 HG1 ARG 22 3.843 7.320 3.231 176 HD2 ARG 22 HD2 ARG 22 1.997 8.616 4.172 177 HD3 ARG 22 HD1 ARG 22 1.368 7.162 4.948 178 HE ARG 22 HE ARG 22 3.990 7.433 5.793 179 HH11 ARG 22 HH11 ARG 22 1.434 9.991 7.546 180 HH12 ARG 22 HH12 ARG 22 1.012 9.253 6.034 181 HH21 ARG 22 HH21 ARG 22 4.554 8.392 7.779 182 HH22 ARG 22 HH22 ARG 22 3.455 9.494 8.545 183 H HIS 23 HN HIS 23 1.133 3.808 1.892 184 HA HIS 23 HA HIS 23 2.703 2.180 3.518 185 HB2 HIS 23 HB2 HIS 23 0.401 1.720 3.569 186 HB3 HIS 23 HB1 HIS 23 0.277 1.667 1.813 187 HD1 HIS 23 HD1 HIS 23 0.996 -0.521 4.781 188 HD2 HIS 23 HD2 HIS 23 1.125 -0.715 0.616 189 HE1 HIS 23 HE1 HIS 23 1.422 -2.965 4.170 190 H LYS 24 HN LYS 24 2.185 2.051 0.020 191 HA LYS 24 HA LYS 24 3.531 -0.298 -0.558 192 HB2 LYS 24 HB2 LYS 24 2.161 0.893 -2.181 193 HB3 LYS 24 HB1 LYS 24 3.321 2.210 -2.227 194 HG2 LYS 24 HG2 LYS 24 5.000 0.651 -3.140 195 HG3 LYS 24 HG1 LYS 24 3.766 -0.612 -3.172 196 HD2 LYS 24 HD2 LYS 24 3.563 2.030 -4.615 197 HD3 LYS 24 HD1 LYS 24 4.086 0.518 -5.360 198 HE2 LYS 24 HE2 LYS 24 1.927 -0.490 -4.907 199 HE3 LYS 24 HE1 LYS 24 1.405 0.951 -4.035 200 HZ1 LYS 24 HZ1 LYS 24 0.563 0.822 -6.334 201 HZ2 LYS 24 HZ2 LYS 24 2.148 0.924 -6.907 202 HZ3 LYS 24 HZ3 LYS 24 1.475 2.213 -6.038 203 H ARG 25 HN ARG 25 4.821 2.877 0.138 204 HA ARG 25 HA ARG 25 7.408 2.397 -0.929 205 HB2 ARG 25 HB2 ARG 25 6.459 4.392 1.115 206 HB3 ARG 25 HB1 ARG 25 8.082 4.376 0.439 207 HG2 ARG 25 HG2 ARG 25 7.216 4.772 -1.771 208 HG3 ARG 25 HG1 ARG 25 5.560 4.654 -1.179 209 HD2 ARG 25 HD2 ARG 25 6.150 6.973 -1.461 210 HD3 ARG 25 HD1 ARG 25 5.967 6.621 0.255 211 HE ARG 25 HE ARG 25 8.674 6.344 -0.548 212 HH11 ARG 25 HH11 ARG 25 6.225 8.744 0.131 213 HH12 ARG 25 HH12 ARG 25 7.363 9.953 0.633 214 HH21 ARG 25 HH21 ARG 25 9.616 9.488 0.621 215 HH22 ARG 25 HH22 ARG 25 10.181 7.933 0.097 216 H THR 26 HN THR 26 5.917 1.051 1.769 217 HA THR 26 HA THR 26 8.278 0.658 3.344 218 HB THR 26 HB THR 26 7.023 -1.124 4.491 219 HG1 THR 26 HG1 THR 26 4.808 -0.524 2.813 220 HG21 THR 26 HG21 THR 26 5.191 0.251 5.381 221 HG22 THR 26 HG22 THR 26 5.397 1.381 4.043 222 HG23 THR 26 HG23 THR 26 6.687 1.172 5.229 223 H HIS 27 HN HIS 27 6.660 -1.013 0.726 224 HA HIS 27 HA HIS 27 8.468 -3.258 0.769 225 HB2 HIS 27 HB2 HIS 27 6.574 -2.424 -1.438 226 HB3 HIS 27 HB1 HIS 27 7.337 -3.994 -1.249 227 HD1 HIS 27 HD1 HIS 27 6.563 -5.090 1.356 228 HD2 HIS 27 HD2 HIS 27 4.029 -2.528 -0.747 229 HE1 HIS 27 HE1 HIS 27 4.206 -5.490 2.253 230 H THR 28 HN THR 28 7.840 -0.522 -1.409 231 HA THR 28 HA THR 28 10.597 -0.140 -1.967 232 HB THR 28 HB THR 28 10.363 -2.126 -3.323 233 HG1 THR 28 HG1 THR 28 11.527 -0.234 -4.175 234 HG21 THR 28 HG21 THR 28 8.780 -2.229 -5.212 235 HG22 THR 28 HG22 THR 28 8.063 -0.709 -4.676 236 HG23 THR 28 HG23 THR 28 7.956 -2.144 -3.654 237 H GLY 29 HN GLY 29 10.932 1.876 -2.719 238 HA2 GLY 29 HA2 GLY 29 8.573 3.427 -3.548 239 HA3 GLY 29 HA1 GLY 29 10.065 4.106 -2.913 240 H GLU 30 HN GLU 30 11.731 2.352 -4.560 241 HA GLU 30 HA GLU 30 11.086 2.847 -7.306 242 HB2 GLU 30 HB2 GLU 30 11.951 5.078 -6.460 243 HB3 GLU 30 HB1 GLU 30 13.492 4.284 -6.169 244 HG2 GLU 30 HG2 GLU 30 13.667 3.744 -8.541 245 HG3 GLU 30 HG1 GLU 30 12.120 4.534 -8.833 246 H LYS 31 HN LYS 31 12.401 1.634 -8.685 247 HA LYS 31 HA LYS 31 13.583 -0.200 -9.282 248 HB2 LYS 31 HB2 LYS 31 15.488 1.283 -8.686 249 HB3 LYS 31 HB1 LYS 31 15.439 0.654 -7.047 250 HG2 LYS 31 HG2 LYS 31 17.217 -0.398 -8.307 251 HG3 LYS 31 HG1 LYS 31 15.978 -1.583 -7.888 252 HD2 LYS 31 HD2 LYS 31 15.031 -1.376 -10.142 253 HD3 LYS 31 HD1 LYS 31 16.281 -0.202 -10.555 254 HE2 LYS 31 HE2 LYS 31 17.998 -1.913 -10.125 255 HE3 LYS 31 HE1 LYS 31 16.727 -3.081 -9.770 256 HZ1 LYS 31 HZ1 LYS 31 17.153 -1.710 -12.369 257 HZ2 LYS 31 HZ2 LYS 31 15.911 -2.806 -12.037 258 HZ3 LYS 31 HZ3 LYS 31 17.520 -3.322 -12.025 259 HN1 NH2 32 HN1 NH2 32 11.662 -1.263 -8.355 260 HN2 NH2 32 HN2 NH2 32 11.889 -2.375 -7.049
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