NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_dress | stage | position | program | type |
2027 | 1bbn | 4094 | cing | dress | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 1 1H GLU 1 HT3 GLU 1 -20.156 19.152 7.431 2 2H GLU 1 HT2 GLU 1 -19.028 19.450 6.197 3 3H GLU 1 HT1 GLU 1 -20.679 19.731 5.927 4 HA GLU 1 HA GLU 1 -21.159 17.600 5.539 5 1HB GLU 1 HB2 GLU 1 -19.309 16.412 4.460 6 2HB GLU 1 HB1 GLU 1 -19.293 18.114 3.999 7 1HG GLU 1 HG2 GLU 1 -17.761 17.821 6.392 8 2HG GLU 1 HG1 GLU 1 -17.233 16.596 5.236 9 H ALA 2 HN ALA 2 -21.142 15.416 6.235 10 HA ALA 2 HA ALA 2 -19.399 14.311 8.203 11 1HB ALA 2 HB1 ALA 2 -21.490 16.070 9.217 12 2HB ALA 2 HB3 ALA 2 -21.668 14.428 9.836 13 3HB ALA 2 HB2 ALA 2 -20.158 15.305 10.084 14 H GLU 3 HN GLU 3 -22.731 14.504 7.031 15 HA GLU 3 HA GLU 3 -23.093 11.591 7.318 16 1HB GLU 3 HB2 GLU 3 -24.825 13.924 6.632 17 2HB GLU 3 HB1 GLU 3 -25.281 12.355 5.968 18 1HG GLU 3 HG2 GLU 3 -24.822 11.551 8.458 19 2HG GLU 3 HG1 GLU 3 -25.170 13.242 8.822 20 H ALA 4 HN ALA 4 -22.143 10.366 5.775 21 HA ALA 4 HA ALA 4 -22.806 10.612 3.008 22 1HB ALA 4 HB3 ALA 4 -21.023 12.537 3.606 23 2HB ALA 4 HB2 ALA 4 -19.901 11.201 3.344 24 3HB ALA 4 HB1 ALA 4 -21.001 11.692 2.057 25 H HIS 5 HN HIS 5 -20.669 9.377 1.826 26 HA HIS 5 HA HIS 5 -20.402 6.891 3.464 27 1HB HIS 5 HB2 HIS 5 -20.310 7.271 0.452 28 2HB HIS 5 HB1 HIS 5 -20.082 5.733 1.287 29 HD1 HIS 5 HD1 HIS 5 -22.154 4.461 1.934 30 HD2 HIS 5 HD2 HIS 5 -23.004 8.398 0.864 31 HE1 HIS 5 HE1 HIS 5 -24.677 4.661 1.889 32 H LYS 6 HN LYS 6 -18.421 7.177 4.483 33 HA LYS 6 HA LYS 6 -16.205 8.611 3.463 34 1HB LYS 6 HB2 LYS 6 -16.480 6.372 5.458 35 2HB LYS 6 HB1 LYS 6 -14.879 6.904 4.960 36 1HG LYS 6 HG2 LYS 6 -15.581 8.124 6.981 37 2HG LYS 6 HG1 LYS 6 -15.429 9.224 5.615 38 1HD LYS 6 HD2 LYS 6 -17.472 9.759 6.808 39 2HD LYS 6 HD1 LYS 6 -17.912 9.040 5.264 40 1HE LYS 6 HE2 LYS 6 -17.894 6.792 6.669 41 2HE LYS 6 HE1 LYS 6 -18.128 7.891 8.024 42 1HZ LYS 6 HZ1 LYS 6 -19.922 8.871 6.382 43 2HZ LYS 6 HZ3 LYS 6 -19.908 7.283 5.790 44 3HZ LYS 6 HZ2 LYS 6 -20.275 7.575 7.422 45 H CYS 7 HN CYS 7 -15.841 8.159 1.329 46 HA CYS 7 HA CYS 7 -14.235 5.918 0.605 47 1HB CYS 7 HB2 CYS 7 -16.253 4.605 0.808 48 2HB CYS 7 HB1 CYS 7 -17.170 5.784 -0.129 49 H ASP 8 HN ASP 8 -16.466 8.470 -0.373 50 HA ASP 8 HA ASP 8 -15.502 8.640 -3.095 51 1HB ASP 8 HB2 ASP 8 -17.739 9.512 -1.880 52 2HB ASP 8 HB1 ASP 8 -16.781 10.992 -1.797 53 H ILE 9 HN ILE 9 -14.931 10.579 -0.142 54 HA ILE 9 HA ILE 9 -12.904 12.160 -1.592 55 HB ILE 9 HB ILE 9 -13.969 12.311 1.236 56 1HG1 ILE 9 HG12 ILE 9 -14.263 14.122 -1.184 57 2HG1 ILE 9 HG11 ILE 9 -15.508 13.037 -0.564 58 1HG2 ILE 9 HG21 ILE 9 -11.919 14.027 -0.199 59 2HG2 ILE 9 HG23 ILE 9 -12.695 14.470 1.321 60 3HG2 ILE 9 HG22 ILE 9 -11.649 13.052 1.246 61 1HD1 ILE 9 HD12 ILE 9 -14.680 14.511 1.670 62 2HD1 ILE 9 HD11 ILE 9 -14.763 15.690 0.362 63 3HD1 ILE 9 HD13 ILE 9 -16.181 14.726 0.770 64 H THR 10 HN THR 10 -12.827 10.506 1.585 65 HA THR 10 HA THR 10 -10.020 10.486 1.837 66 HB THR 10 HB THR 10 -12.028 8.488 2.906 67 HG1 THR 10 HG1 THR 10 -12.154 9.847 4.605 68 1HG2 THR 10 HG22 THR 10 -9.115 8.989 3.471 69 2HG2 THR 10 HG21 THR 10 -10.172 8.335 4.722 70 3HG2 THR 10 HG23 THR 10 -9.943 7.453 3.211 71 H LEU 11 HN LEU 11 -12.106 8.123 0.204 72 HA LEU 11 HA LEU 11 -9.866 6.292 -0.211 73 1HB LEU 11 HB2 LEU 11 -12.685 6.177 -0.357 74 2HB LEU 11 HB1 LEU 11 -12.064 5.687 -1.923 75 HG LEU 11 HG LEU 11 -10.733 3.945 -0.924 76 1HD1 LEU 11 HD12 LEU 11 -11.030 5.596 1.453 77 2HD1 LEU 11 HD11 LEU 11 -11.436 3.913 1.790 78 3HD1 LEU 11 HD13 LEU 11 -9.855 4.322 1.123 79 1HD2 LEU 11 HD23 LEU 11 -13.257 3.664 -1.167 80 2HD2 LEU 11 HD22 LEU 11 -12.462 2.540 -0.070 81 3HD2 LEU 11 HD21 LEU 11 -13.359 3.917 0.572 82 H GLN 12 HN GLN 12 -11.758 8.460 -2.397 83 HA GLN 12 HA GLN 12 -10.339 7.669 -4.737 84 1HB GLN 12 HB2 GLN 12 -11.381 9.407 -5.824 85 2HB GLN 12 HB1 GLN 12 -12.402 9.333 -4.396 86 1HG GLN 12 HG2 GLN 12 -11.057 11.126 -3.343 87 2HG GLN 12 HG1 GLN 12 -10.037 11.201 -4.782 88 1HE2 GLN 12 HE22 GLN 12 -12.240 13.341 -6.470 89 2HE2 GLN 12 HE21 GLN 12 -10.670 12.716 -6.309 90 H GLU 13 HN GLU 13 -9.522 9.899 -2.155 91 HA GLU 13 HA GLU 13 -7.149 10.955 -3.457 92 1HB GLU 13 HB2 GLU 13 -8.580 11.503 -1.090 93 2HB GLU 13 HB1 GLU 13 -6.992 10.948 -0.557 94 1HG GLU 13 HG2 GLU 13 -5.936 12.571 -2.126 95 2HG GLU 13 HG1 GLU 13 -7.540 13.172 -2.542 96 H ILE 14 HN ILE 14 -7.923 8.291 -1.283 97 HA ILE 14 HA ILE 14 -5.218 7.432 -0.799 98 HB ILE 14 HB ILE 14 -7.918 6.510 -0.242 99 1HG1 ILE 14 HG12 ILE 14 -5.490 5.453 1.139 100 2HG1 ILE 14 HG11 ILE 14 -5.806 7.187 1.233 101 1HG2 ILE 14 HG22 ILE 14 -5.857 4.423 -1.006 102 2HG2 ILE 14 HG21 ILE 14 -7.331 4.083 -0.103 103 3HG2 ILE 14 HG23 ILE 14 -7.434 4.676 -1.759 104 1HD1 ILE 14 HD12 ILE 14 -8.171 5.474 1.683 105 2HD1 ILE 14 HD11 ILE 14 -6.918 5.343 2.916 106 3HD1 ILE 14 HD13 ILE 14 -7.639 6.911 2.557 107 H ILE 15 HN ILE 15 -7.300 7.219 -3.560 108 HA ILE 15 HA ILE 15 -6.023 4.871 -4.728 109 HB ILE 15 HB ILE 15 -8.027 6.918 -5.646 110 1HG1 ILE 15 HG12 ILE 15 -8.348 4.009 -6.122 111 2HG1 ILE 15 HG11 ILE 15 -8.286 4.496 -4.427 112 1HG2 ILE 15 HG21 ILE 15 -6.295 5.152 -7.347 113 2HG2 ILE 15 HG23 ILE 15 -7.959 5.466 -7.838 114 3HG2 ILE 15 HG22 ILE 15 -6.830 6.806 -7.643 115 1HD1 ILE 15 HD11 ILE 15 -9.952 6.260 -6.078 116 2HD1 ILE 15 HD13 ILE 15 -10.539 4.600 -6.025 117 3HD1 ILE 15 HD12 ILE 15 -10.315 5.503 -4.527 118 H LYS 16 HN LYS 16 -5.983 8.393 -5.355 119 HA LYS 16 HA LYS 16 -3.998 8.328 -7.396 120 1HB LYS 16 HB2 LYS 16 -5.217 10.351 -5.647 121 2HB LYS 16 HB1 LYS 16 -3.547 10.719 -6.083 122 1HG LYS 16 HG2 LYS 16 -4.058 10.519 -8.446 123 2HG LYS 16 HG1 LYS 16 -5.691 9.959 -8.087 124 1HD LYS 16 HD2 LYS 16 -4.567 12.690 -7.392 125 2HD LYS 16 HD1 LYS 16 -5.709 12.347 -8.692 126 1HE LYS 16 HE2 LYS 16 -7.127 11.260 -6.750 127 2HE LYS 16 HE1 LYS 16 -6.150 12.312 -5.725 128 1HZ LYS 16 HZ2 LYS 16 -6.808 14.055 -7.553 129 2HZ LYS 16 HZ1 LYS 16 -8.133 13.012 -7.760 130 3HZ LYS 16 HZ3 LYS 16 -7.841 13.718 -6.246 131 H THR 17 HN THR 17 -3.777 8.273 -3.889 132 HA THR 17 HA THR 17 -0.919 8.695 -3.745 133 HB THR 17 HB THR 17 -2.691 7.231 -1.763 134 HG1 THR 17 HG1 THR 17 -2.825 9.363 -0.820 135 1HG2 THR 17 HG22 THR 17 -0.044 7.347 -1.670 136 2HG2 THR 17 HG21 THR 17 -0.363 8.966 -1.045 137 3HG2 THR 17 HG23 THR 17 -1.008 7.554 -0.208 138 H LEU 18 HN LEU 18 -3.030 5.876 -3.980 139 HA LEU 18 HA LEU 18 -1.018 3.873 -3.627 140 1HB LEU 18 HB2 LEU 18 -3.594 3.637 -3.628 141 2HB LEU 18 HB1 LEU 18 -3.475 3.608 -5.382 142 HG LEU 18 HG LEU 18 -3.555 1.333 -4.310 143 1HD1 LEU 18 HD13 LEU 18 -2.151 2.170 -6.484 144 2HD1 LEU 18 HD12 LEU 18 -0.876 1.394 -5.544 145 3HD1 LEU 18 HD11 LEU 18 -2.312 0.481 -6.004 146 1HD2 LEU 18 HD21 LEU 18 -1.738 2.403 -2.534 147 2HD2 LEU 18 HD23 LEU 18 -2.092 0.688 -2.713 148 3HD2 LEU 18 HD22 LEU 18 -0.721 1.399 -3.563 149 H ASN 19 HN ASN 19 -2.008 5.822 -6.373 150 HA ASN 19 HA ASN 19 -0.465 4.243 -8.293 151 1HB ASN 19 HB2 ASN 19 -2.564 5.910 -8.610 152 2HB ASN 19 HB1 ASN 19 -1.251 7.045 -8.924 153 1HD2 ASN 19 HD22 ASN 19 -1.838 5.639 -12.235 154 2HD2 ASN 19 HD21 ASN 19 -2.479 6.811 -11.188 155 H SER 20 HN SER 20 0.056 6.983 -6.181 156 HA SER 20 HA SER 20 2.355 8.081 -7.491 157 1HB SER 20 HB2 SER 20 1.081 8.290 -4.831 158 2HB SER 20 HB1 SER 20 2.816 8.594 -4.846 159 HG SER 20 HG SER 20 2.500 10.191 -6.362 160 H LEU 21 HN LEU 21 1.976 5.536 -5.024 161 HA LEU 21 HA LEU 21 4.818 5.100 -4.702 162 1HB LEU 21 HB2 LEU 21 2.440 3.306 -4.126 163 2HB LEU 21 HB1 LEU 21 4.098 2.927 -3.662 164 HG LEU 21 HG LEU 21 3.266 5.635 -2.884 165 1HD1 LEU 21 HD13 LEU 21 1.274 3.741 -2.591 166 2HD1 LEU 21 HD12 LEU 21 2.106 3.664 -1.039 167 3HD1 LEU 21 HD11 LEU 21 1.443 5.196 -1.608 168 1HD2 LEU 21 HD22 LEU 21 4.864 3.360 -1.897 169 2HD2 LEU 21 HD21 LEU 21 5.138 5.092 -1.709 170 3HD2 LEU 21 HD23 LEU 21 4.025 4.253 -0.629 171 H THR 22 HN THR 22 2.603 4.267 -7.199 172 HA THR 22 HA THR 22 3.971 1.876 -8.125 173 HB THR 22 HB THR 22 2.279 3.554 -9.935 174 HG1 THR 22 HG1 THR 22 0.688 2.034 -8.501 175 1HG2 THR 22 HG23 THR 22 3.152 1.367 -10.667 176 2HG2 THR 22 HG22 THR 22 2.370 0.596 -9.287 177 3HG2 THR 22 HG21 THR 22 1.394 1.342 -10.550 178 H GLU 23 HN GLU 23 4.909 5.104 -8.168 179 HA GLU 23 HA GLU 23 5.951 5.315 -10.849 180 1HB GLU 23 HB2 GLU 23 5.493 7.173 -9.072 181 2HB GLU 23 HB1 GLU 23 7.111 6.776 -8.490 182 1HG GLU 23 HG2 GLU 23 8.141 7.608 -10.366 183 2HG GLU 23 HG1 GLU 23 6.803 7.163 -11.426 184 H GLN 24 HN GLN 24 7.618 4.785 -7.729 185 HA GLN 24 HA GLN 24 9.908 3.612 -9.250 186 1HB GLN 24 HB2 GLN 24 9.897 5.486 -7.235 187 2HB GLN 24 HB1 GLN 24 10.231 3.997 -6.351 188 1HG GLN 24 HG2 GLN 24 12.009 3.486 -8.081 189 2HG GLN 24 HG1 GLN 24 11.768 5.119 -8.704 190 1HE2 GLN 24 HE22 GLN 24 13.225 6.695 -5.810 191 2HE2 GLN 24 HE21 GLN 24 12.058 6.928 -7.021 192 H LYS 25 HN LYS 25 8.334 1.750 -9.500 193 HA LYS 25 HA LYS 25 8.440 -0.019 -7.093 194 1HB LYS 25 HB2 LYS 25 6.489 -1.195 -8.134 195 2HB LYS 25 HB1 LYS 25 6.145 0.486 -7.723 196 1HG LYS 25 HG2 LYS 25 6.482 1.180 -10.018 197 2HG LYS 25 HG1 LYS 25 7.037 -0.434 -10.467 198 1HD LYS 25 HD2 LYS 25 4.292 0.088 -9.314 199 2HD LYS 25 HD1 LYS 25 4.610 0.072 -11.050 200 1HE LYS 25 HE2 LYS 25 4.718 -2.190 -11.101 201 2HE LYS 25 HE1 LYS 25 5.747 -2.243 -9.669 202 1HZ LYS 25 HZ1 LYS 25 2.864 -1.636 -9.457 203 2HZ LYS 25 HZ3 LYS 25 3.420 -3.239 -9.492 204 3HZ LYS 25 HZ2 LYS 25 3.925 -2.193 -8.253 205 H THR 26 HN THR 26 10.734 -0.035 -8.515 206 HA THR 26 HA THR 26 10.583 -2.649 -9.942 207 HB THR 26 HB THR 26 12.659 -0.978 -11.069 208 HG1 THR 26 HG1 THR 26 10.920 0.329 -12.178 209 1HG2 THR 26 HG21 THR 26 11.570 -3.052 -12.018 210 2HG2 THR 26 HG23 THR 26 10.141 -2.071 -12.344 211 3HG2 THR 26 HG22 THR 26 11.668 -1.696 -13.141 212 H LEU 27 HN LEU 27 12.716 -0.193 -8.499 213 HA LEU 27 HA LEU 27 14.757 -2.252 -7.902 214 1HB LEU 27 HB2 LEU 27 14.863 0.455 -8.508 215 2HB LEU 27 HB1 LEU 27 15.114 0.438 -6.761 216 HG LEU 27 HG LEU 27 16.688 -1.673 -7.650 217 1HD1 LEU 27 HD11 LEU 27 16.234 -0.738 -9.988 218 2HD1 LEU 27 HD13 LEU 27 17.170 0.675 -9.499 219 3HD1 LEU 27 HD12 LEU 27 17.933 -0.914 -9.548 220 1HD2 LEU 27 HD21 LEU 27 16.999 0.952 -6.459 221 2HD2 LEU 27 HD23 LEU 27 17.982 -0.494 -6.224 222 3HD2 LEU 27 HD22 LEU 27 18.345 0.612 -7.547 223 H CYS 28 HN CYS 28 12.277 -0.362 -6.274 224 HA CYS 28 HA CYS 28 13.207 -1.321 -3.636 225 1HB CYS 28 HB2 CYS 28 11.874 0.981 -4.462 226 2HB CYS 28 HB1 CYS 28 10.620 0.029 -3.666 227 H THR 29 HN THR 29 10.999 -2.253 -6.129 228 HA THR 29 HA THR 29 9.311 -3.808 -4.286 229 HB THR 29 HB THR 29 8.287 -4.587 -6.523 230 HG1 THR 29 HG1 THR 29 9.882 -4.002 -7.920 231 1HG2 THR 29 HG21 THR 29 8.073 -2.134 -5.010 232 2HG2 THR 29 HG23 THR 29 7.681 -1.847 -6.702 233 3HG2 THR 29 HG22 THR 29 6.800 -3.070 -5.791 234 H GLU 30 HN GLU 30 12.342 -4.342 -5.193 235 HA GLU 30 HA GLU 30 11.927 -7.170 -5.999 236 1HB GLU 30 HB2 GLU 30 14.509 -7.134 -6.129 237 2HB GLU 30 HB1 GLU 30 13.635 -6.184 -7.327 238 1HG GLU 30 HG2 GLU 30 14.204 -4.173 -6.348 239 2HG GLU 30 HG1 GLU 30 14.468 -4.888 -4.757 240 H LEU 31 HN LEU 31 10.998 -6.582 -3.504 241 HA LEU 31 HA LEU 31 12.855 -8.059 -1.718 242 1HB LEU 31 HB2 LEU 31 11.105 -5.760 -0.783 243 2HB LEU 31 HB1 LEU 31 12.338 -6.611 0.141 244 HG LEU 31 HG LEU 31 13.234 -5.280 -2.372 245 1HD1 LEU 31 HD13 LEU 31 11.600 -3.725 -1.090 246 2HD1 LEU 31 HD12 LEU 31 12.873 -3.647 0.128 247 3HD1 LEU 31 HD11 LEU 31 13.190 -3.092 -1.516 248 1HD2 LEU 31 HD21 LEU 31 14.303 -6.243 0.173 249 2HD2 LEU 31 HD23 LEU 31 15.142 -5.944 -1.349 250 3HD2 LEU 31 HD22 LEU 31 14.868 -4.619 -0.218 251 H THR 32 HN THR 32 11.604 -9.915 -2.011 252 HA THR 32 HA THR 32 8.911 -10.281 -2.297 253 HB THR 32 HB THR 32 9.253 -12.430 -0.883 254 HG1 THR 32 HG1 THR 32 11.003 -12.289 0.257 255 1HG2 THR 32 HG22 THR 32 9.678 -11.842 -3.482 256 2HG2 THR 32 HG21 THR 32 11.315 -12.304 -3.017 257 3HG2 THR 32 HG23 THR 32 9.982 -13.440 -2.802 258 H VAL 33 HN VAL 33 7.086 -10.054 -1.135 259 HA VAL 33 HA VAL 33 7.296 -9.531 1.797 260 HB VAL 33 HB VAL 33 5.393 -7.954 1.530 261 1HG1 VAL 33 HG13 VAL 33 7.999 -7.456 1.044 262 2HG1 VAL 33 HG12 VAL 33 7.316 -6.977 -0.511 263 3HG1 VAL 33 HG11 VAL 33 6.758 -6.205 0.974 264 1HG2 VAL 33 HG22 VAL 33 4.916 -9.255 -0.833 265 2HG2 VAL 33 HG21 VAL 33 4.264 -7.665 -0.438 266 3HG2 VAL 33 HG23 VAL 33 5.730 -7.801 -1.408 267 H THR 34 HN THR 34 4.192 -9.452 1.716 268 HA THR 34 HA THR 34 3.873 -12.418 1.491 269 HB THR 34 HB THR 34 3.283 -10.597 3.607 270 HG1 THR 34 HG1 THR 34 3.677 -12.489 4.392 271 1HG2 THR 34 HG21 THR 34 1.131 -10.155 2.481 272 2HG2 THR 34 HG23 THR 34 0.795 -11.886 2.449 273 3HG2 THR 34 HG22 THR 34 0.899 -11.037 3.987 274 H ASP 35 HN ASP 35 2.187 -13.209 0.234 275 HA ASP 35 HA ASP 35 0.830 -11.268 -1.532 276 1HB ASP 35 HB2 ASP 35 1.886 -13.628 -2.149 277 2HB ASP 35 HB1 ASP 35 0.304 -14.216 -1.643 278 H ILE 36 HN ILE 36 -0.996 -10.359 -0.628 279 HA ILE 36 HA ILE 36 -2.710 -12.079 1.083 280 HB ILE 36 HB ILE 36 -3.628 -10.110 1.979 281 1HG1 ILE 36 HG12 ILE 36 -2.590 -8.711 -0.508 282 2HG1 ILE 36 HG11 ILE 36 -4.278 -8.998 -0.088 283 1HG2 ILE 36 HG21 ILE 36 -1.176 -10.432 2.466 284 2HG2 ILE 36 HG23 ILE 36 -0.822 -9.283 1.175 285 3HG2 ILE 36 HG22 ILE 36 -1.714 -8.759 2.603 286 1HD1 ILE 36 HD13 ILE 36 -3.263 -7.710 2.156 287 2HD1 ILE 36 HD12 ILE 36 -2.486 -6.875 0.811 288 3HD1 ILE 36 HD11 ILE 36 -4.244 -6.967 0.893 289 H PHE 37 HN PHE 37 -2.521 -11.979 -2.047 290 HA PHE 37 HA PHE 37 -5.467 -11.658 -2.472 291 1HB PHE 37 HB2 PHE 37 -3.227 -11.290 -4.487 292 2HB PHE 37 HB1 PHE 37 -4.949 -11.130 -4.826 293 HD1 PHE 37 HD2 PHE 37 -6.266 -9.441 -3.297 294 HD2 PHE 37 HD1 PHE 37 -2.006 -9.404 -3.850 295 HE1 PHE 37 HE2 PHE 37 -6.192 -7.073 -2.567 296 HE2 PHE 37 HE1 PHE 37 -1.931 -7.035 -3.121 297 HZ PHE 37 HZ PHE 37 -4.026 -5.869 -2.480 298 H ALA 38 HN ALA 38 -3.872 -14.056 -1.614 299 HA ALA 38 HA ALA 38 -4.081 -15.793 -4.010 300 1HB ALA 38 HB1 ALA 38 -2.991 -16.301 -1.227 301 2HB ALA 38 HB3 ALA 38 -3.026 -17.506 -2.515 302 3HB ALA 38 HB2 ALA 38 -2.050 -16.049 -2.698 303 H ALA 39 HN ALA 39 -5.633 -15.202 -0.912 304 HA ALA 39 HA ALA 39 -7.748 -17.136 -1.721 305 1HB ALA 39 HB3 ALA 39 -5.969 -17.354 0.574 306 2HB ALA 39 HB2 ALA 39 -7.661 -17.295 1.068 307 3HB ALA 39 HB1 ALA 39 -7.115 -18.532 -0.065 308 H SER 40 HN SER 40 -8.908 -15.162 -2.310 309 HA SER 40 HA SER 40 -9.778 -13.529 0.036 310 1HB SER 40 HB2 SER 40 -8.979 -12.797 -2.579 311 2HB SER 40 HB1 SER 40 -10.717 -12.520 -2.503 312 HG SER 40 HG SER 40 -9.804 -10.704 -1.685 313 H LYS 41 HN LYS 41 -11.652 -14.327 0.875 314 HA LYS 41 HA LYS 41 -13.745 -15.236 -1.062 315 1HB LYS 41 HB2 LYS 41 -12.642 -16.527 1.361 316 2HB LYS 41 HB1 LYS 41 -14.402 -16.547 1.239 317 1HG LYS 41 HG2 LYS 41 -14.182 -17.459 -1.082 318 2HG LYS 41 HG1 LYS 41 -12.438 -17.558 -0.839 319 1HD LYS 41 HD2 LYS 41 -12.935 -18.966 1.229 320 2HD LYS 41 HD1 LYS 41 -14.601 -19.052 0.655 321 1HE LYS 41 HE2 LYS 41 -12.670 -19.650 -1.456 322 2HE LYS 41 HE1 LYS 41 -12.538 -20.760 -0.091 323 1HZ LYS 41 HZ1 LYS 41 -15.248 -20.170 -0.874 324 2HZ LYS 41 HZ3 LYS 41 -14.350 -20.964 -2.074 325 3HZ LYS 41 HZ2 LYS 41 -14.515 -21.665 -0.536 326 H ASP 42 HN ASP 42 -13.670 -14.564 2.454 327 HA ASP 42 HA ASP 42 -16.072 -12.845 2.044 328 1HB ASP 42 HB2 ASP 42 -15.052 -14.520 4.300 329 2HB ASP 42 HB1 ASP 42 -16.013 -13.094 4.694 330 H THR 43 HN THR 43 -13.104 -12.083 1.717 331 HA THR 43 HA THR 43 -12.794 -10.109 3.894 332 HB THR 43 HB THR 43 -10.701 -9.537 2.421 333 HG1 THR 43 HG1 THR 43 -10.092 -11.345 1.163 334 1HG2 THR 43 HG21 THR 43 -11.278 -11.630 4.360 335 2HG2 THR 43 HG23 THR 43 -9.929 -12.066 3.310 336 3HG2 THR 43 HG22 THR 43 -9.874 -10.570 4.242 337 H THR 44 HN THR 44 -13.355 -7.983 3.660 338 HA THR 44 HA THR 44 -14.399 -7.157 1.006 339 HB THR 44 HB THR 44 -14.815 -5.131 2.963 340 HG1 THR 44 HG1 THR 44 -16.169 -7.139 4.060 341 1HG2 THR 44 HG22 THR 44 -16.452 -7.086 1.394 342 2HG2 THR 44 HG21 THR 44 -17.237 -6.165 2.678 343 3HG2 THR 44 HG23 THR 44 -16.457 -5.323 1.340 344 H GLU 45 HN GLU 45 -14.115 -4.404 1.217 345 HA GLU 45 HA GLU 45 -11.354 -4.106 0.425 346 1HB GLU 45 HB2 GLU 45 -11.914 -1.756 0.079 347 2HB GLU 45 HB1 GLU 45 -13.214 -2.765 -0.547 348 1HG GLU 45 HG2 GLU 45 -14.330 -2.467 1.750 349 2HG GLU 45 HG1 GLU 45 -13.163 -1.172 2.019 350 H LYS 46 HN LYS 46 -13.204 -3.032 3.299 351 HA LYS 46 HA LYS 46 -11.076 -1.618 4.543 352 1HB LYS 46 HB2 LYS 46 -12.326 -1.958 6.646 353 2HB LYS 46 HB1 LYS 46 -13.401 -1.477 5.332 354 1HG LYS 46 HG2 LYS 46 -13.691 -4.050 4.965 355 2HG LYS 46 HG1 LYS 46 -13.080 -4.179 6.617 356 1HD LYS 46 HD2 LYS 46 -15.086 -2.091 6.422 357 2HD LYS 46 HD1 LYS 46 -15.725 -3.631 5.846 358 1HE LYS 46 HE2 LYS 46 -14.626 -4.623 7.991 359 2HE LYS 46 HE1 LYS 46 -14.609 -2.954 8.560 360 1HZ LYS 46 HZ2 LYS 46 -17.098 -3.162 7.618 361 2HZ LYS 46 HZ1 LYS 46 -16.843 -4.753 8.159 362 3HZ LYS 46 HZ3 LYS 46 -16.674 -3.454 9.237 363 H GLU 47 HN GLU 47 -11.981 -5.069 4.777 364 HA GLU 47 HA GLU 47 -9.962 -5.723 6.710 365 1HB GLU 47 HB2 GLU 47 -11.867 -7.162 5.022 366 2HB GLU 47 HB1 GLU 47 -10.338 -8.027 5.194 367 1HG GLU 47 HG2 GLU 47 -10.504 -7.678 7.682 368 2HG GLU 47 HG1 GLU 47 -12.119 -7.016 7.428 369 H THR 48 HN THR 48 -9.970 -5.648 3.161 370 HA THR 48 HA THR 48 -7.337 -6.816 2.897 371 HB THR 48 HB THR 48 -8.832 -5.033 0.955 372 HG1 THR 48 HG1 THR 48 -9.207 -7.279 0.082 373 1HG2 THR 48 HG21 THR 48 -6.344 -6.676 0.830 374 2HG2 THR 48 HG23 THR 48 -7.389 -6.663 -0.590 375 3HG2 THR 48 HG22 THR 48 -6.724 -5.152 0.030 376 H PHE 49 HN PHE 49 -8.401 -3.619 3.754 377 HA PHE 49 HA PHE 49 -5.881 -2.373 2.875 378 1HB PHE 49 HB2 PHE 49 -8.290 -1.319 4.365 379 2HB PHE 49 HB1 PHE 49 -6.849 -0.345 4.065 380 HD1 PHE 49 HD2 PHE 49 -5.971 -1.045 1.426 381 HD2 PHE 49 HD1 PHE 49 -9.975 -0.664 2.921 382 HE1 PHE 49 HE2 PHE 49 -6.783 -0.616 -0.867 383 HE2 PHE 49 HE1 PHE 49 -10.789 -0.236 0.633 384 HZ PHE 49 HZ PHE 49 -9.196 -0.210 -1.272 385 H CYS 50 HN CYS 50 -7.371 -3.470 5.873 386 HA CYS 50 HA CYS 50 -5.327 -2.320 7.572 387 1HB CYS 50 HB2 CYS 50 -7.545 -2.962 8.449 388 2HB CYS 50 HB1 CYS 50 -7.228 -4.649 8.045 389 NH1 ARG 51 NH2 ARG 51 -7.715 -11.631 5.047 390 NH2 ARG 51 NH1 ARG 51 -6.233 -13.130 5.859 391 H ARG 51 HN ARG 51 -5.797 -5.436 5.940 392 HA ARG 51 HA ARG 51 -3.499 -6.741 7.117 393 1HB ARG 51 HB2 ARG 51 -5.277 -7.226 4.754 394 2HB ARG 51 HB1 ARG 51 -3.726 -8.063 4.813 395 1HG ARG 51 HG2 ARG 51 -4.274 -9.195 6.805 396 2HG ARG 51 HG1 ARG 51 -5.582 -8.074 7.188 397 1HD ARG 51 HD2 ARG 51 -7.064 -9.304 6.018 398 2HD ARG 51 HD1 ARG 51 -6.020 -9.296 4.598 399 HE ARG 51 HE ARG 51 -4.856 -11.151 6.319 400 1HH1 ARG 51 HH21 ARG 51 -7.982 -10.692 4.840 401 2HH1 ARG 51 HH22 ARG 51 -8.338 -12.382 4.824 402 1HH2 ARG 51 HH11 ARG 51 -5.350 -13.339 6.281 403 2HH2 ARG 51 HH12 ARG 51 -6.866 -13.869 5.631 404 H ALA 52 HN ALA 52 -4.039 -5.225 3.925 405 HA ALA 52 HA ALA 52 -1.287 -5.327 3.119 406 1HB ALA 52 HB2 ALA 52 -3.306 -4.937 1.623 407 2HB ALA 52 HB1 ALA 52 -3.329 -3.280 2.230 408 3HB ALA 52 HB3 ALA 52 -1.932 -3.871 1.329 409 H ALA 53 HN ALA 53 -2.914 -3.335 5.410 410 HA ALA 53 HA ALA 53 -1.114 -1.050 5.147 411 1HB ALA 53 HB3 ALA 53 -3.387 -1.834 6.902 412 2HB ALA 53 HB2 ALA 53 -2.200 -0.733 7.600 413 3HB ALA 53 HB1 ALA 53 -3.052 -0.288 6.121 414 H THR 54 HN THR 54 -1.354 -3.996 7.059 415 HA THR 54 HA THR 54 0.736 -3.309 8.937 416 HB THR 54 HB THR 54 -0.578 -5.884 8.072 417 HG1 THR 54 HG1 THR 54 -0.331 -4.482 10.525 418 1HG2 THR 54 HG21 THR 54 1.896 -5.520 9.760 419 2HG2 THR 54 HG23 THR 54 0.837 -6.917 9.959 420 3HG2 THR 54 HG22 THR 54 1.642 -6.633 8.416 421 H VAL 55 HN VAL 55 0.620 -5.135 5.884 422 HA VAL 55 HA VAL 55 3.426 -5.762 5.809 423 HB VAL 55 HB VAL 55 1.478 -5.404 3.501 424 1HG1 VAL 55 HG11 VAL 55 4.300 -6.053 3.653 425 2HG1 VAL 55 HG13 VAL 55 3.393 -7.407 2.979 426 3HG1 VAL 55 HG12 VAL 55 3.292 -5.816 2.226 427 1HG2 VAL 55 HG22 VAL 55 0.766 -7.046 5.273 428 2HG2 VAL 55 HG21 VAL 55 1.075 -7.793 3.706 429 3HG2 VAL 55 HG23 VAL 55 2.269 -7.926 4.995 430 H LEU 56 HN LEU 56 1.500 -3.004 4.779 431 HA LEU 56 HA LEU 56 3.600 -1.650 3.328 432 1HB LEU 56 HB2 LEU 56 0.856 -1.117 4.139 433 2HB LEU 56 HB1 LEU 56 1.874 0.303 4.378 434 HG LEU 56 HG LEU 56 2.763 -0.411 1.953 435 1HD1 LEU 56 HD11 LEU 56 -0.112 -1.378 2.060 436 2HD1 LEU 56 HD13 LEU 56 0.841 -1.193 0.588 437 3HD1 LEU 56 HD12 LEU 56 1.310 -2.388 1.797 438 1HD2 LEU 56 HD21 LEU 56 1.621 1.740 2.773 439 2HD2 LEU 56 HD23 LEU 56 1.392 1.333 1.073 440 3HD2 LEU 56 HD22 LEU 56 0.107 1.011 2.237 441 NH1 ARG 57 NH2 ARG 57 2.049 -1.056 13.886 442 NH2 ARG 57 NH1 ARG 57 3.056 0.825 14.629 443 H ARG 57 HN ARG 57 2.716 -1.936 6.701 444 HA ARG 57 HA ARG 57 4.178 0.343 7.672 445 1HB ARG 57 HB2 ARG 57 2.412 -0.932 8.952 446 2HB ARG 57 HB1 ARG 57 3.577 -2.243 9.137 447 1HG ARG 57 HG2 ARG 57 5.148 -0.635 10.228 448 2HG ARG 57 HG1 ARG 57 3.892 0.602 10.138 449 1HD ARG 57 HD2 ARG 57 2.407 -1.195 11.336 450 2HD ARG 57 HD1 ARG 57 3.954 -1.909 11.792 451 HE ARG 57 HE ARG 57 4.230 0.759 12.475 452 1HH1 ARG 57 HH21 ARG 57 1.915 -1.756 13.186 453 2HH1 ARG 57 HH22 ARG 57 1.529 -1.102 14.738 454 1HH2 ARG 57 HH11 ARG 57 3.702 1.576 14.496 455 2HH2 ARG 57 HH12 ARG 57 2.528 0.764 15.476 456 H GLN 58 HN GLN 58 4.962 -3.120 7.362 457 HA GLN 58 HA GLN 58 7.640 -2.895 8.373 458 1HB GLN 58 HB2 GLN 58 5.966 -4.936 7.184 459 2HB GLN 58 HB1 GLN 58 7.591 -5.002 6.503 460 1HG GLN 58 HG2 GLN 58 8.331 -4.744 9.023 461 2HG GLN 58 HG1 GLN 58 6.714 -5.371 9.348 462 1HE2 GLN 58 HE22 GLN 58 8.865 -8.362 9.057 463 2HE2 GLN 58 HE21 GLN 58 8.656 -7.079 10.149 464 H PHE 59 HN PHE 59 6.210 -2.254 5.238 465 HA PHE 59 HA PHE 59 8.688 -2.319 3.745 466 1HB PHE 59 HB2 PHE 59 6.375 -2.486 2.743 467 2HB PHE 59 HB1 PHE 59 6.172 -0.767 3.076 468 HD1 PHE 59 HD2 PHE 59 8.034 0.827 2.144 469 HD2 PHE 59 HD1 PHE 59 7.375 -3.172 0.733 470 HE1 PHE 59 HE2 PHE 59 9.228 1.376 0.049 471 HE2 PHE 59 HE1 PHE 59 8.579 -2.624 -1.363 472 HZ PHE 59 HZ PHE 59 9.503 -0.350 -1.708 473 OH TYR 60 OH TYR 60 6.420 4.396 10.903 474 H TYR 60 HN TYR 60 6.843 0.295 5.332 475 HA TYR 60 HA TYR 60 8.877 2.257 4.503 476 1HB TYR 60 HB2 TYR 60 7.259 3.780 4.859 477 2HB TYR 60 HB1 TYR 60 6.169 2.416 5.106 478 HD1 TYR 60 HD2 TYR 60 5.706 1.575 7.397 479 HD2 TYR 60 HD1 TYR 60 8.060 5.100 6.710 480 HE1 TYR 60 HE2 TYR 60 5.420 2.226 9.772 481 HE2 TYR 60 HE1 TYR 60 7.774 5.754 9.086 482 HH TYR 60 HH TYR 60 6.351 5.353 10.943 483 H SER 61 HN SER 61 8.542 0.090 7.118 484 HA SER 61 HA SER 61 9.934 1.881 9.013 485 1HB SER 61 HB2 SER 61 8.104 -0.116 9.406 486 2HB SER 61 HB1 SER 61 9.614 -0.959 9.740 487 HG SER 61 HG SER 61 8.925 0.027 11.619 488 H HIS 62 HN HIS 62 10.536 -1.257 7.401 489 HA HIS 62 HA HIS 62 13.342 -1.185 8.300 490 1HB HIS 62 HB2 HIS 62 11.507 -3.196 7.148 491 2HB HIS 62 HB1 HIS 62 13.196 -3.351 6.667 492 HD1 HIS 62 HD1 HIS 62 14.337 -4.954 8.187 493 HD2 HIS 62 HD2 HIS 62 11.603 -2.580 10.254 494 HE1 HIS 62 HE1 HIS 62 14.510 -5.620 10.625 495 H HIS 63 HN HIS 63 11.772 -1.600 5.089 496 HA HIS 63 HA HIS 63 14.169 -1.173 3.617 497 1HB HIS 63 HB2 HIS 63 11.292 -0.718 2.796 498 2HB HIS 63 HB1 HIS 63 12.658 -0.730 1.683 499 HD1 HIS 63 HD1 HIS 63 14.274 -3.076 2.381 500 HD2 HIS 63 HD2 HIS 63 10.118 -3.208 2.672 501 HE1 HIS 63 HE1 HIS 63 13.629 -5.523 2.310 502 H GLU 64 HN GLU 64 12.106 1.122 5.207 503 HA GLU 64 HA GLU 64 12.519 3.426 3.629 504 1HB GLU 64 HB2 GLU 64 11.109 3.987 5.327 505 2HB GLU 64 HB1 GLU 64 11.880 2.876 6.461 506 1HG GLU 64 HG2 GLU 64 13.660 4.419 6.905 507 2HG GLU 64 HG1 GLU 64 13.180 5.457 5.561 508 H LYS 65 HN LYS 65 14.706 1.797 5.855 509 HA LYS 65 HA LYS 65 16.807 3.768 5.060 510 1HB LYS 65 HB2 LYS 65 15.788 3.421 7.628 511 2HB LYS 65 HB1 LYS 65 17.282 2.487 7.645 512 1HG LYS 65 HG2 LYS 65 18.440 4.496 6.632 513 2HG LYS 65 HG1 LYS 65 16.954 5.405 6.907 514 1HD LYS 65 HD2 LYS 65 17.221 5.422 9.193 515 2HD LYS 65 HD1 LYS 65 18.049 3.863 9.211 516 1HE LYS 65 HE2 LYS 65 20.110 4.806 8.609 517 2HE LYS 65 HE1 LYS 65 19.360 6.260 7.951 518 1HZ LYS 65 HZ1 LYS 65 18.619 6.745 10.281 519 2HZ LYS 65 HZ3 LYS 65 19.642 5.495 10.800 520 3HZ LYS 65 HZ2 LYS 65 20.294 6.854 10.017 521 H ASP 66 HN ASP 66 16.552 1.567 3.509 522 HA ASP 66 HA ASP 66 18.670 -0.293 4.518 523 1HB ASP 66 HB2 ASP 66 16.091 -0.812 3.368 524 2HB ASP 66 HB1 ASP 66 17.335 -1.434 2.284 525 H THR 67 HN THR 67 20.518 -0.400 3.331 526 HA THR 67 HA THR 67 21.111 1.498 1.304 527 HB THR 67 HB THR 67 22.748 -0.815 0.869 528 HG1 THR 67 HG1 THR 67 23.459 -0.622 3.260 529 1HG2 THR 67 HG22 THR 67 23.104 1.871 2.193 530 2HG2 THR 67 HG21 THR 67 24.434 0.725 2.029 531 3HG2 THR 67 HG23 THR 67 23.637 1.364 0.591 532 NH1 ARG 68 NH2 ARG 68 20.233 -6.993 -0.579 533 NH2 ARG 68 NH1 ARG 68 20.195 -7.835 1.514 534 H ARG 68 HN ARG 68 19.593 -1.638 1.124 535 HA ARG 68 HA ARG 68 19.998 -2.365 -1.550 536 1HB ARG 68 HB2 ARG 68 17.770 -2.731 0.407 537 2HB ARG 68 HB1 ARG 68 17.455 -3.128 -1.281 538 1HG ARG 68 HG2 ARG 68 19.519 -4.558 -1.261 539 2HG ARG 68 HG1 ARG 68 19.645 -4.268 0.475 540 1HD ARG 68 HD2 ARG 68 17.080 -5.027 0.381 541 2HD ARG 68 HD1 ARG 68 17.648 -5.901 -1.037 542 HE ARG 68 HE ARG 68 18.079 -6.631 1.702 543 1HH1 ARG 68 HH21 ARG 68 19.810 -6.466 -1.311 544 2HH1 ARG 68 HH22 ARG 68 21.100 -7.463 -0.742 545 1HH2 ARG 68 HH11 ARG 68 19.739 -7.946 2.398 546 2HH2 ARG 68 HH12 ARG 68 21.056 -8.307 1.333 547 H CYS 69 HN CYS 69 17.116 -0.561 -0.399 548 HA CYS 69 HA CYS 69 16.387 0.227 -3.075 549 1HB CYS 69 HB2 CYS 69 14.907 0.056 -0.937 550 2HB CYS 69 HB1 CYS 69 15.468 1.698 -0.617 551 H LEU 70 HN LEU 70 18.436 1.679 -0.624 552 HA LEU 70 HA LEU 70 18.415 4.369 -1.497 553 1HB LEU 70 HB2 LEU 70 20.465 2.624 -0.179 554 2HB LEU 70 HB1 LEU 70 20.963 4.204 -0.779 555 HG LEU 70 HG LEU 70 18.649 3.718 1.123 556 1HD1 LEU 70 HD12 LEU 70 21.427 3.759 1.624 557 2HD1 LEU 70 HD11 LEU 70 20.824 5.337 2.135 558 3HD1 LEU 70 HD13 LEU 70 20.131 3.865 2.816 559 1HD2 LEU 70 HD21 LEU 70 19.596 6.030 -0.444 560 2HD2 LEU 70 HD23 LEU 70 18.028 5.756 0.316 561 3HD2 LEU 70 HD22 LEU 70 19.375 6.374 1.271 562 H GLY 71 HN GLY 71 21.049 2.095 -2.321 563 1HA GLY 71 HA2 GLY 71 21.523 1.612 -4.721 564 2HA GLY 71 HA1 GLY 71 21.023 3.268 -5.073 565 H ALA 72 HN ALA 72 22.797 4.433 -5.624 566 HA ALA 72 HA ALA 72 25.029 4.629 -3.737 567 1HB ALA 72 HB2 ALA 72 25.201 2.793 -5.907 568 2HB ALA 72 HB1 ALA 72 26.244 4.159 -6.297 569 3HB ALA 72 HB3 ALA 72 26.482 3.271 -4.793 570 H THR 73 HN THR 73 23.013 6.416 -4.864 571 HA THR 73 HA THR 73 24.871 8.420 -6.046 572 HB THR 73 HB THR 73 22.743 9.080 -7.469 573 HG1 THR 73 HG1 THR 73 21.892 6.846 -8.096 574 1HG2 THR 73 HG22 THR 73 25.094 8.037 -8.110 575 2HG2 THR 73 HG21 THR 73 24.117 6.607 -8.444 576 3HG2 THR 73 HG23 THR 73 23.790 8.116 -9.295 577 H ALA 74 HN ALA 74 24.045 10.645 -5.790 578 HA ALA 74 HA ALA 74 22.682 10.977 -3.223 579 1HB ALA 74 HB3 ALA 74 24.540 12.474 -3.908 580 2HB ALA 74 HB2 ALA 74 23.563 13.052 -5.258 581 3HB ALA 74 HB1 ALA 74 23.058 13.382 -3.600 582 H GLN 75 HN GLN 75 21.872 11.216 -6.631 583 HA GLN 75 HA GLN 75 19.429 12.686 -6.367 584 1HB GLN 75 HB2 GLN 75 20.592 10.829 -8.413 585 2HB GLN 75 HB1 GLN 75 18.887 11.262 -8.534 586 1HG GLN 75 HG2 GLN 75 19.656 13.703 -8.296 587 2HG GLN 75 HG1 GLN 75 21.284 13.099 -8.612 588 1HE2 GLN 75 HE22 GLN 75 20.497 13.590 -12.040 589 2HE2 GLN 75 HE21 GLN 75 21.411 14.144 -10.721 590 H GLN 76 HN GLN 76 20.050 9.166 -6.514 591 HA GLN 76 HA GLN 76 17.328 8.387 -6.141 592 1HB GLN 76 HB2 GLN 76 19.950 7.089 -6.133 593 2HB GLN 76 HB1 GLN 76 18.819 6.350 -4.996 594 1HG GLN 76 HG2 GLN 76 17.164 6.056 -6.748 595 2HG GLN 76 HG1 GLN 76 18.168 6.940 -7.898 596 1HE2 GLN 76 HE22 GLN 76 18.684 3.181 -8.216 597 2HE2 GLN 76 HE21 GLN 76 17.275 4.125 -8.158 598 H PHE 77 HN PHE 77 19.578 9.750 -3.904 599 HA PHE 77 HA PHE 77 18.435 8.551 -1.512 600 1HB PHE 77 HB2 PHE 77 20.748 9.877 -1.997 601 2HB PHE 77 HB1 PHE 77 19.779 11.198 -1.346 602 HD1 PHE 77 HD2 PHE 77 18.696 10.947 0.916 603 HD2 PHE 77 HD1 PHE 77 21.568 8.132 -0.594 604 HE1 PHE 77 HE2 PHE 77 19.053 10.080 3.213 605 HE2 PHE 77 HE1 PHE 77 21.927 7.266 1.703 606 HZ PHE 77 HZ PHE 77 20.669 8.240 3.606 607 H HIS 78 HN HIS 78 18.070 11.648 -3.225 608 HA HIS 78 HA HIS 78 16.147 12.747 -1.375 609 1HB HIS 78 HB2 HIS 78 17.512 14.106 -2.966 610 2HB HIS 78 HB1 HIS 78 16.577 13.427 -4.299 611 HD1 HIS 78 HD1 HIS 78 14.004 14.051 -4.381 612 HD2 HIS 78 HD2 HIS 78 16.219 16.156 -1.545 613 HE1 HIS 78 HE1 HIS 78 12.572 16.014 -3.667 614 NH1 ARG 79 NH2 ARG 79 12.344 11.620 -9.337 615 NH2 ARG 79 NH1 ARG 79 14.076 11.860 -10.766 616 H ARG 79 HN ARG 79 15.889 10.870 -4.361 617 HA ARG 79 HA ARG 79 13.032 11.092 -4.647 618 1HB ARG 79 HB2 ARG 79 15.220 9.661 -5.911 619 2HB ARG 79 HB1 ARG 79 13.826 8.604 -5.699 620 1HG ARG 79 HG2 ARG 79 12.427 10.513 -6.699 621 2HG ARG 79 HG1 ARG 79 13.965 11.231 -7.188 622 1HD ARG 79 HD2 ARG 79 14.192 8.561 -7.941 623 2HD ARG 79 HD1 ARG 79 12.527 8.961 -8.343 624 HE ARG 79 HE ARG 79 14.873 9.779 -9.776 625 1HH1 ARG 79 HH21 ARG 79 11.862 11.105 -8.632 626 2HH1 ARG 79 HH22 ARG 79 11.942 12.461 -9.699 627 1HH2 ARG 79 HH11 ARG 79 14.935 11.527 -11.153 628 2HH2 ARG 79 HH12 ARG 79 13.658 12.698 -11.120 629 H HIS 80 HN HIS 80 15.148 8.772 -3.009 630 HA HIS 80 HA HIS 80 13.150 6.874 -2.276 631 1HB HIS 80 HB2 HIS 80 15.629 6.516 -2.133 632 2HB HIS 80 HB1 HIS 80 15.663 7.596 -0.741 633 HD1 HIS 80 HD1 HIS 80 12.863 5.137 -1.310 634 HD2 HIS 80 HD2 HIS 80 16.212 5.553 1.137 635 HE1 HIS 80 HE1 HIS 80 12.685 3.335 0.463 636 H LYS 81 HN LYS 81 14.311 9.821 -0.667 637 HA LYS 81 HA LYS 81 12.896 9.494 1.779 638 1HB LYS 81 HB2 LYS 81 14.618 11.353 0.861 639 2HB LYS 81 HB1 LYS 81 13.107 12.236 0.645 640 1HG LYS 81 HG2 LYS 81 12.518 11.798 3.007 641 2HG LYS 81 HG1 LYS 81 14.044 10.939 3.222 642 1HD LYS 81 HD2 LYS 81 14.700 13.426 2.047 643 2HD LYS 81 HD1 LYS 81 13.544 13.778 3.331 644 1HE LYS 81 HE2 LYS 81 14.983 12.184 4.782 645 2HE LYS 81 HE1 LYS 81 16.216 12.398 3.539 646 1HZ LYS 81 HZ2 LYS 81 15.001 14.861 4.378 647 2HZ LYS 81 HZ1 LYS 81 15.802 14.053 5.639 648 3HZ LYS 81 HZ3 LYS 81 16.644 14.459 4.224 649 H GLN 82 HN GLN 82 11.862 10.736 -1.362 650 HA GLN 82 HA GLN 82 9.318 11.747 -0.451 651 1HB GLN 82 HB2 GLN 82 10.596 11.166 -3.079 652 2HB GLN 82 HB1 GLN 82 8.834 11.247 -3.048 653 1HG GLN 82 HG2 GLN 82 9.265 13.447 -1.650 654 2HG GLN 82 HG1 GLN 82 10.837 13.398 -2.448 655 1HE2 GLN 82 HE22 GLN 82 7.753 14.833 -4.503 656 2HE2 GLN 82 HE21 GLN 82 7.809 14.707 -2.811 657 H LEU 83 HN LEU 83 10.459 8.586 -1.488 658 HA LEU 83 HA LEU 83 7.846 7.419 -1.867 659 1HB LEU 83 HB2 LEU 83 9.942 6.438 -2.790 660 2HB LEU 83 HB1 LEU 83 10.457 6.051 -1.148 661 HG LEU 83 HG LEU 83 7.804 5.072 -1.439 662 1HD1 LEU 83 HD13 LEU 83 8.491 5.270 -3.934 663 2HD1 LEU 83 HD12 LEU 83 9.587 3.932 -3.588 664 3HD1 LEU 83 HD11 LEU 83 7.847 3.725 -3.377 665 1HD2 LEU 83 HD21 LEU 83 10.563 3.876 -1.179 666 2HD2 LEU 83 HD23 LEU 83 9.284 3.969 0.033 667 3HD2 LEU 83 HD22 LEU 83 9.142 2.841 -1.315 668 H ILE 84 HN ILE 84 10.103 7.522 0.883 669 HA ILE 84 HA ILE 84 8.559 5.866 2.627 670 HB ILE 84 HB ILE 84 10.351 8.165 3.445 671 1HG1 ILE 84 HG12 ILE 84 11.702 6.908 1.962 672 2HG1 ILE 84 HG11 ILE 84 12.078 6.232 3.547 673 1HG2 ILE 84 HG21 ILE 84 8.941 6.021 4.828 674 2HG2 ILE 84 HG23 ILE 84 10.676 5.962 5.131 675 3HG2 ILE 84 HG22 ILE 84 9.767 7.428 5.498 676 1HD1 ILE 84 HD11 ILE 84 10.280 4.491 3.110 677 2HD1 ILE 84 HD13 ILE 84 10.225 5.082 1.448 678 3HD1 ILE 84 HD12 ILE 84 11.707 4.367 2.082 679 NH1 ARG 85 NH2 ARG 85 9.342 15.943 3.296 680 NH2 ARG 85 NH1 ARG 85 8.180 16.688 5.085 681 H ARG 85 HN ARG 85 8.410 9.337 1.931 682 HA ARG 85 HA ARG 85 6.616 9.973 4.092 683 1HB ARG 85 HB2 ARG 85 7.828 11.352 1.870 684 2HB ARG 85 HB1 ARG 85 6.114 11.759 1.965 685 1HG ARG 85 HG2 ARG 85 6.308 12.540 4.196 686 2HG ARG 85 HG1 ARG 85 7.883 11.776 4.412 687 1HD ARG 85 HD2 ARG 85 8.989 13.388 3.134 688 2HD ARG 85 HD1 ARG 85 7.522 13.858 2.277 689 HE ARG 85 HE ARG 85 7.005 14.543 4.912 690 1HH1 ARG 85 HH21 ARG 85 9.532 15.244 2.609 691 2HH1 ARG 85 HH22 ARG 85 9.868 16.793 3.296 692 1HH2 ARG 85 HH11 ARG 85 7.470 16.556 5.776 693 2HH2 ARG 85 HH12 ARG 85 8.716 17.532 5.072 694 H PHE 86 HN PHE 86 5.999 9.508 0.605 695 HA PHE 86 HA PHE 86 3.194 9.665 0.631 696 1HB PHE 86 HB2 PHE 86 5.243 8.592 -1.125 697 2HB PHE 86 HB1 PHE 86 3.819 7.553 -1.127 698 HD1 PHE 86 HD2 PHE 86 1.606 8.450 -1.779 699 HD2 PHE 86 HD1 PHE 86 5.168 10.836 -2.017 700 HE1 PHE 86 HE2 PHE 86 0.424 10.067 -3.239 701 HE2 PHE 86 HE1 PHE 86 3.987 12.452 -3.480 702 HZ PHE 86 HZ PHE 86 1.614 12.069 -4.091 703 H LEU 87 HN LEU 87 5.308 7.072 1.685 704 HA LEU 87 HA LEU 87 3.300 5.021 1.883 705 1HB LEU 87 HB2 LEU 87 6.099 5.331 2.444 706 2HB LEU 87 HB1 LEU 87 5.308 4.586 3.834 707 HG LEU 87 HG LEU 87 5.085 3.644 0.962 708 1HD1 LEU 87 HD11 LEU 87 7.080 3.228 2.923 709 2HD1 LEU 87 HD13 LEU 87 6.131 1.744 2.859 710 3HD1 LEU 87 HD12 LEU 87 6.888 2.369 1.395 711 1HD2 LEU 87 HD22 LEU 87 3.630 3.014 3.475 712 2HD2 LEU 87 HD21 LEU 87 3.100 2.852 1.801 713 3HD2 LEU 87 HD23 LEU 87 4.142 1.623 2.519 714 H LYS 88 HN LYS 88 4.798 7.107 4.382 715 HA LYS 88 HA LYS 88 3.347 6.238 6.611 716 1HB LYS 88 HB2 LYS 88 4.171 9.075 5.924 717 2HB LYS 88 HB1 LYS 88 3.689 8.523 7.528 718 1HG LYS 88 HG2 LYS 88 5.556 6.917 7.550 719 2HG LYS 88 HG1 LYS 88 6.035 7.445 5.936 720 1HD LYS 88 HD2 LYS 88 7.027 9.329 6.718 721 2HD LYS 88 HD1 LYS 88 5.708 9.658 7.842 722 1HE LYS 88 HE2 LYS 88 6.706 7.584 9.138 723 2HE LYS 88 HE1 LYS 88 8.172 7.997 8.248 724 1HZ LYS 88 HZ2 LYS 88 6.941 10.319 9.323 725 2HZ LYS 88 HZ1 LYS 88 7.246 9.185 10.551 726 3HZ LYS 88 HZ3 LYS 88 8.516 9.729 9.565 727 NH1 ARG 89 NH2 ARG 89 -1.063 14.484 1.670 728 NH2 ARG 89 NH1 ARG 89 -1.476 13.554 -0.347 729 H ARG 89 HN ARG 89 2.371 8.588 4.139 730 HA ARG 89 HA ARG 89 -0.081 9.369 5.389 731 1HB ARG 89 HB2 ARG 89 1.082 10.524 3.453 732 2HB ARG 89 HB1 ARG 89 0.446 9.251 2.413 733 1HG ARG 89 HG2 ARG 89 -1.670 10.079 2.479 734 2HG ARG 89 HG1 ARG 89 -1.557 10.483 4.192 735 1HD ARG 89 HD2 ARG 89 -1.469 12.635 3.462 736 2HD ARG 89 HD1 ARG 89 0.214 12.267 3.091 737 HE ARG 89 HE ARG 89 -1.198 11.429 0.845 738 1HH1 ARG 89 HH21 ARG 89 -0.856 14.401 2.644 739 2HH1 ARG 89 HH22 ARG 89 -1.158 15.391 1.261 740 1HH2 ARG 89 HH11 ARG 89 -1.587 12.745 -0.925 741 2HH2 ARG 89 HH12 ARG 89 -1.569 14.467 -0.741 742 H LEU 90 HN LEU 90 0.670 6.797 3.048 743 HA LEU 90 HA LEU 90 -2.115 5.954 2.880 744 1HB LEU 90 HB2 LEU 90 -0.117 5.635 1.179 745 2HB LEU 90 HB1 LEU 90 0.139 4.151 2.098 746 HG LEU 90 HG LEU 90 -2.460 3.863 1.799 747 1HD1 LEU 90 HD13 LEU 90 -2.490 6.214 0.687 748 2HD1 LEU 90 HD12 LEU 90 -1.850 5.385 -0.731 749 3HD1 LEU 90 HD11 LEU 90 -3.421 4.925 -0.075 750 1HD2 LEU 90 HD22 LEU 90 -0.177 3.260 -0.008 751 2HD2 LEU 90 HD21 LEU 90 -1.304 2.159 0.786 752 3HD2 LEU 90 HD23 LEU 90 -1.790 3.014 -0.675 753 H ASP 91 HN ASP 91 0.326 5.411 5.216 754 HA ASP 91 HA ASP 91 -0.596 2.723 5.940 755 1HB ASP 91 HB2 ASP 91 1.772 3.599 6.298 756 2HB ASP 91 HB1 ASP 91 1.114 4.591 7.600 757 NH1 ARG 92 NH2 ARG 92 -3.625 5.055 13.490 758 NH2 ARG 92 NH1 ARG 92 -2.788 6.652 14.846 759 H ARG 92 HN ARG 92 -1.176 6.042 6.899 760 HA ARG 92 HA ARG 92 -2.793 5.204 9.207 761 1HB ARG 92 HB2 ARG 92 -1.176 7.263 9.028 762 2HB ARG 92 HB1 ARG 92 -2.503 8.024 8.161 763 1HG ARG 92 HG2 ARG 92 -2.343 8.472 10.684 764 2HG ARG 92 HG1 ARG 92 -3.916 7.987 10.063 765 1HD ARG 92 HD2 ARG 92 -3.874 5.978 11.142 766 2HD ARG 92 HD1 ARG 92 -2.127 5.788 10.955 767 HE ARG 92 HE ARG 92 -2.278 7.832 12.755 768 1HH1 ARG 92 HH21 ARG 92 -3.830 4.701 12.581 769 2HH1 ARG 92 HH22 ARG 92 -3.875 4.518 14.296 770 1HH2 ARG 92 HH11 ARG 92 -2.344 7.539 14.978 771 2HH2 ARG 92 HH12 ARG 92 -3.043 6.099 15.640 772 H ASN 93 HN ASN 93 -3.228 6.474 5.950 773 HA ASN 93 HA ASN 93 -6.102 6.917 6.349 774 1HB ASN 93 HB2 ASN 93 -4.326 7.061 3.904 775 2HB ASN 93 HB1 ASN 93 -6.053 7.419 3.882 776 1HD2 ASN 93 HD22 ASN 93 -5.423 10.735 4.849 777 2HD2 ASN 93 HD21 ASN 93 -6.310 9.653 3.887 778 H LEU 94 HN LEU 94 -4.115 4.597 4.469 779 HA LEU 94 HA LEU 94 -6.174 3.204 3.191 780 1HB LEU 94 HB2 LEU 94 -3.632 2.846 3.043 781 2HB LEU 94 HB1 LEU 94 -3.831 1.749 4.409 782 HG LEU 94 HG LEU 94 -5.799 0.812 2.853 783 1HD1 LEU 94 HD11 LEU 94 -5.052 2.669 1.157 784 2HD1 LEU 94 HD13 LEU 94 -3.749 1.542 0.777 785 3HD1 LEU 94 HD12 LEU 94 -5.429 1.055 0.552 786 1HD2 LEU 94 HD23 LEU 94 -3.224 0.012 3.587 787 2HD2 LEU 94 HD22 LEU 94 -4.449 -1.005 2.829 788 3HD2 LEU 94 HD21 LEU 94 -3.250 -0.180 1.835 789 CH2 TRP 95 CH2 TRP 95 -5.419 0.130 13.507 790 H TRP 95 HN TRP 95 -4.781 2.239 6.376 791 HA TRP 95 HA TRP 95 -7.137 0.511 6.780 792 1HB TRP 95 HB2 TRP 95 -5.883 -0.618 8.285 793 2HB TRP 95 HB1 TRP 95 -4.548 0.203 7.491 794 HD1 TRP 95 HD1 TRP 95 -4.222 2.822 8.626 795 HE1 TRP 95 HE1 TRP 95 -3.921 3.329 11.145 796 HE3 TRP 95 HE3 TRP 95 -6.244 -1.397 10.580 797 HZ2 TRP 95 HZ2 TRP 95 -4.478 2.056 13.670 798 HZ3 TRP 95 HZ3 TRP 95 -6.345 -1.752 13.026 799 HH2 TRP 95 HH2 TRP 95 -5.466 -0.028 14.574 800 H GLY 96 HN GLY 96 -6.044 3.662 7.733 801 1HA GLY 96 HA2 GLY 96 -7.409 4.045 10.168 802 2HA GLY 96 HA1 GLY 96 -7.175 5.320 8.969 803 H LEU 97 HN LEU 97 -8.641 3.876 6.875 804 HA LEU 97 HA LEU 97 -11.339 4.742 7.580 805 1HB LEU 97 HB2 LEU 97 -10.085 4.679 5.230 806 2HB LEU 97 HB1 LEU 97 -10.778 3.059 5.165 807 HG LEU 97 HG LEU 97 -12.902 4.585 6.055 808 1HD1 LEU 97 HD13 LEU 97 -11.073 6.220 4.339 809 2HD1 LEU 97 HD12 LEU 97 -12.810 6.361 4.071 810 3HD1 LEU 97 HD11 LEU 97 -12.129 6.734 5.654 811 1HD2 LEU 97 HD22 LEU 97 -12.059 3.189 3.630 812 2HD2 LEU 97 HD21 LEU 97 -13.650 3.245 4.389 813 3HD2 LEU 97 HD23 LEU 97 -13.159 4.521 3.275 814 H ALA 98 HN ALA 98 -9.629 1.681 7.159 815 HA ALA 98 HA ALA 98 -11.765 -0.137 7.250 816 1HB ALA 98 HB3 ALA 98 -9.077 -0.399 7.188 817 2HB ALA 98 HB2 ALA 98 -9.367 -0.806 8.878 818 3HB ALA 98 HB1 ALA 98 -10.153 -1.735 7.602 819 H GLY 99 HN GLY 99 -10.080 1.453 9.951 820 1HA GLY 99 HA2 GLY 99 -10.830 1.853 12.145 821 2HA GLY 99 HA1 GLY 99 -12.443 1.369 11.614 822 H LEU 100 HN LEU 100 -9.336 -0.394 11.738 823 HA LEU 100 HA LEU 100 -10.740 -2.476 13.369 824 1HB LEU 100 HB2 LEU 100 -9.628 -2.775 10.848 825 2HB LEU 100 HB1 LEU 100 -8.351 -3.358 11.917 826 HG LEU 100 HG LEU 100 -10.644 -4.462 13.016 827 1HD1 LEU 100 HD11 LEU 100 -11.465 -3.638 10.538 828 2HD1 LEU 100 HD13 LEU 100 -10.902 -5.272 10.186 829 3HD1 LEU 100 HD12 LEU 100 -12.155 -5.013 11.399 830 1HD2 LEU 100 HD23 LEU 100 -8.233 -5.347 12.292 831 2HD2 LEU 100 HD22 LEU 100 -9.569 -6.465 12.559 832 3HD2 LEU 100 HD21 LEU 100 -9.141 -5.980 10.919 833 H ASN 101 HN ASN 101 -8.839 -3.935 14.409 834 HA ASN 101 HA ASN 101 -6.883 -2.028 15.634 835 1HB ASN 101 HB2 ASN 101 -8.912 -3.624 16.893 836 2HB ASN 101 HB1 ASN 101 -7.333 -4.239 17.381 837 1HD2 ASN 101 HD22 ASN 101 -6.716 -1.536 19.534 838 2HD2 ASN 101 HD21 ASN 101 -6.317 -3.112 19.045 839 H SER 102 HN SER 102 -7.250 -5.563 15.923 840 HA SER 102 HA SER 102 -4.407 -5.857 15.168 841 1HB SER 102 HB2 SER 102 -6.297 -7.323 16.804 842 2HB SER 102 HB1 SER 102 -5.525 -8.394 15.639 843 HG SER 102 HG SER 102 -4.080 -6.524 17.198 844 H CYS 103 HN CYS 103 -3.719 -7.017 13.363 845 HA CYS 103 HA CYS 103 -5.760 -8.209 11.570 846 1HB CYS 103 HB2 CYS 103 -4.018 -5.848 10.942 847 2HB CYS 103 HB1 CYS 103 -4.412 -6.997 9.661 848 HA PRO 104 HA PRO 104 -1.889 -10.639 12.304 849 1HB PRO 104 HB2 PRO 104 -3.580 -12.958 11.982 850 2HB PRO 104 HB1 PRO 104 -2.741 -12.403 13.437 851 1HG PRO 104 HG2 PRO 104 -5.564 -12.269 12.881 852 2HG PRO 104 HG1 PRO 104 -4.716 -11.697 14.325 853 1HD PRO 104 HD2 PRO 104 -5.896 -10.108 12.237 854 2HD PRO 104 HD1 PRO 104 -5.014 -9.540 13.668 855 H VAL 105 HN VAL 105 -1.219 -9.922 10.117 856 HA VAL 105 HA VAL 105 -2.350 -11.267 7.783 857 HB VAL 105 HB VAL 105 -1.002 -8.965 7.966 858 1HG1 VAL 105 HG12 VAL 105 1.048 -10.128 8.847 859 2HG1 VAL 105 HG11 VAL 105 1.202 -10.927 7.282 860 3HG1 VAL 105 HG13 VAL 105 1.337 -9.172 7.394 861 1HG2 VAL 105 HG23 VAL 105 -1.403 -10.936 5.833 862 2HG2 VAL 105 HG22 VAL 105 -1.668 -9.192 5.816 863 3HG2 VAL 105 HG21 VAL 105 -0.056 -9.844 5.519 864 H LYS 106 HN LYS 106 -1.799 -13.381 7.209 865 HA LYS 106 HA LYS 106 0.882 -14.377 7.898 866 1HB LYS 106 HB2 LYS 106 -1.383 -14.804 9.630 867 2HB LYS 106 HB1 LYS 106 -0.797 -16.345 9.004 868 1HG LYS 106 HG2 LYS 106 1.423 -15.924 9.804 869 2HG LYS 106 HG1 LYS 106 1.031 -14.246 10.190 870 1HD LYS 106 HD2 LYS 106 0.975 -15.466 12.263 871 2HD LYS 106 HD1 LYS 106 -0.701 -15.138 11.821 872 1HE LYS 106 HE2 LYS 106 -0.723 -17.432 12.407 873 2HE LYS 106 HE1 LYS 106 -0.625 -17.454 10.647 874 1HZ LYS 106 HZ2 LYS 106 1.864 -17.530 10.973 875 2HZ LYS 106 HZ1 LYS 106 1.552 -17.894 12.602 876 3HZ LYS 106 HZ3 LYS 106 1.009 -18.939 11.381 877 H GLU 107 HN GLU 107 -2.349 -15.183 6.562 878 HA GLU 107 HA GLU 107 -1.323 -17.618 5.344 879 1HB GLU 107 HB2 GLU 107 -3.486 -17.828 4.278 880 2HB GLU 107 HB1 GLU 107 -3.736 -17.305 5.940 881 1HG GLU 107 HG2 GLU 107 -3.694 -14.891 4.875 882 2HG GLU 107 HG1 GLU 107 -4.094 -15.761 3.393 883 H ALA 108 HN ALA 108 0.525 -16.891 4.210 884 HA ALA 108 HA ALA 108 0.088 -16.255 1.465 885 1HB ALA 108 HB2 ALA 108 -0.345 -14.008 2.696 886 2HB ALA 108 HB1 ALA 108 1.399 -13.980 2.940 887 3HB ALA 108 HB3 ALA 108 0.737 -14.000 1.308 888 H ASP 109 HN ASP 109 1.937 -16.708 0.313 889 HA ASP 109 HA ASP 109 4.276 -17.605 1.886 890 1HB ASP 109 HB2 ASP 109 3.199 -18.124 -0.835 891 2HB ASP 109 HB1 ASP 109 4.957 -18.110 -0.693 892 H GLN 110 HN GLN 110 6.392 -17.083 0.250 893 HA GLN 110 HA GLN 110 6.650 -14.183 0.559 894 1HB GLN 110 HB2 GLN 110 8.417 -16.385 0.515 895 2HB GLN 110 HB1 GLN 110 8.836 -15.404 -0.887 896 1HG GLN 110 HG2 GLN 110 9.964 -14.045 0.510 897 2HG GLN 110 HG1 GLN 110 8.408 -13.552 1.177 898 1HE2 GLN 110 HE22 GLN 110 9.647 -14.783 4.267 899 2HE2 GLN 110 HE21 GLN 110 9.204 -13.404 3.382 900 H SER 111 HN SER 111 5.337 -13.214 -1.001 901 HA SER 111 HA SER 111 5.683 -14.007 -3.839 902 1HB SER 111 HB2 SER 111 3.494 -13.410 -3.863 903 2HB SER 111 HB1 SER 111 3.619 -12.721 -2.249 904 HG SER 111 HG SER 111 3.077 -11.151 -3.824 905 H THR 112 HN THR 112 5.776 -11.817 -5.305 906 HA THR 112 HA THR 112 8.119 -10.326 -4.222 907 HB THR 112 HB THR 112 8.545 -9.675 -6.554 908 HG1 THR 112 HG1 THR 112 6.773 -11.312 -7.732 909 1HG2 THR 112 HG23 THR 112 8.043 -12.599 -6.001 910 2HG2 THR 112 HG22 THR 112 8.773 -12.051 -7.509 911 3HG2 THR 112 HG21 THR 112 9.577 -11.729 -5.973 912 H LEU 113 HN LEU 113 7.985 -8.074 -3.928 913 HA LEU 113 HA LEU 113 5.393 -6.945 -3.567 914 1HB LEU 113 HB2 LEU 113 7.660 -6.159 -2.578 915 2HB LEU 113 HB1 LEU 113 7.811 -5.226 -4.070 916 HG LEU 113 HG LEU 113 5.230 -4.667 -3.367 917 1HD1 LEU 113 HD13 LEU 113 6.841 -5.060 -0.834 918 2HD1 LEU 113 HD12 LEU 113 5.386 -4.066 -0.906 919 3HD1 LEU 113 HD11 LEU 113 5.291 -5.793 -1.246 920 1HD2 LEU 113 HD21 LEU 113 7.857 -3.336 -3.067 921 2HD2 LEU 113 HD23 LEU 113 6.391 -2.763 -3.860 922 3HD2 LEU 113 HD22 LEU 113 6.554 -2.646 -2.106 923 H GLU 114 HN GLU 114 7.188 -7.389 -6.477 924 HA GLU 114 HA GLU 114 6.234 -5.127 -7.949 925 1HB GLU 114 HB2 GLU 114 7.625 -7.613 -8.503 926 2HB GLU 114 HB1 GLU 114 6.411 -7.289 -9.740 927 1HG GLU 114 HG2 GLU 114 7.330 -4.991 -10.003 928 2HG GLU 114 HG1 GLU 114 8.587 -5.383 -8.828 929 H ASN 115 HN ASN 115 5.007 -8.470 -7.725 930 HA ASN 115 HA ASN 115 2.577 -7.849 -9.192 931 1HB ASN 115 HB2 ASN 115 3.907 -10.171 -8.511 932 2HB ASN 115 HB1 ASN 115 2.505 -10.213 -7.446 933 1HD2 ASN 115 HD22 ASN 115 1.354 -11.806 -10.561 934 2HD2 ASN 115 HD21 ASN 115 2.393 -12.174 -9.272 935 H PHE 116 HN PHE 116 3.532 -7.583 -5.854 936 HA PHE 116 HA PHE 116 0.879 -7.767 -4.714 937 1HB PHE 116 HB2 PHE 116 2.753 -8.036 -3.234 938 2HB PHE 116 HB1 PHE 116 3.450 -6.497 -3.737 939 HD1 PHE 116 HD1 PHE 116 0.310 -7.909 -2.246 940 HD2 PHE 116 HD2 PHE 116 3.021 -4.583 -2.468 941 HE1 PHE 116 HE1 PHE 116 -0.970 -6.746 -0.470 942 HE2 PHE 116 HE2 PHE 116 1.740 -3.421 -0.691 943 HZ PHE 116 HZ PHE 116 -0.256 -4.502 0.309 944 H LEU 117 HN LEU 117 2.965 -4.931 -5.366 945 HA LEU 117 HA LEU 117 0.964 -2.974 -4.887 946 1HB LEU 117 HB2 LEU 117 3.569 -3.037 -6.358 947 2HB LEU 117 HB1 LEU 117 2.482 -1.688 -6.683 948 HG LEU 117 HG LEU 117 3.474 -2.530 -3.940 949 1HD1 LEU 117 HD12 LEU 117 4.974 -1.282 -5.763 950 2HD1 LEU 117 HD11 LEU 117 4.056 0.117 -5.205 951 3HD1 LEU 117 HD13 LEU 117 5.025 -0.814 -4.063 952 1HD2 LEU 117 HD22 LEU 117 1.293 -0.797 -4.858 953 2HD2 LEU 117 HD21 LEU 117 1.626 -1.410 -3.238 954 3HD2 LEU 117 HD23 LEU 117 2.435 0.048 -3.812 955 H GLU 118 HN GLU 118 1.767 -4.886 -7.741 956 HA GLU 118 HA GLU 118 0.237 -3.453 -9.659 957 1HB GLU 118 HB2 GLU 118 1.688 -5.208 -10.422 958 2HB GLU 118 HB1 GLU 118 0.888 -6.399 -9.398 959 1HG GLU 118 HG2 GLU 118 -0.722 -6.773 -10.935 960 2HG GLU 118 HG1 GLU 118 -0.988 -5.047 -11.183 961 NH1 ARG 119 NH2 ARG 119 -5.326 -11.137 -9.205 962 NH2 ARG 119 NH1 ARG 119 -3.846 -11.611 -10.846 963 H ARG 119 HN ARG 119 -0.713 -6.182 -7.574 964 HA ARG 119 HA ARG 119 -3.488 -6.152 -8.364 965 1HB ARG 119 HB2 ARG 119 -2.100 -7.254 -5.900 966 2HB ARG 119 HB1 ARG 119 -3.797 -7.537 -6.288 967 1HG ARG 119 HG2 ARG 119 -1.864 -8.095 -8.466 968 2HG ARG 119 HG1 ARG 119 -1.807 -9.190 -7.085 969 1HD ARG 119 HD2 ARG 119 -4.062 -9.841 -7.358 970 2HD ARG 119 HD1 ARG 119 -4.427 -8.457 -8.388 971 HE ARG 119 HE ARG 119 -2.488 -9.859 -9.794 972 1HH1 ARG 119 HH21 ARG 119 -5.597 -10.616 -8.398 973 2HH1 ARG 119 HH22 ARG 119 -5.941 -11.836 -9.571 974 1HH2 ARG 119 HH11 ARG 119 -2.969 -11.449 -11.299 975 2HH2 ARG 119 HH12 ARG 119 -4.471 -12.306 -11.200 976 H LEU 120 HN LEU 120 -1.643 -4.152 -6.208 977 HA LEU 120 HA LEU 120 -3.875 -3.401 -4.507 978 1HB LEU 120 HB2 LEU 120 -1.065 -2.871 -4.627 979 2HB LEU 120 HB1 LEU 120 -1.915 -1.325 -4.596 980 HG LEU 120 HG LEU 120 -2.658 -3.552 -2.702 981 1HD1 LEU 120 HD12 LEU 120 -0.137 -2.667 -2.693 982 2HD1 LEU 120 HD11 LEU 120 -0.873 -1.328 -1.813 983 3HD1 LEU 120 HD13 LEU 120 -1.010 -2.973 -1.192 984 1HD2 LEU 120 HD21 LEU 120 -3.396 -0.752 -3.177 985 2HD2 LEU 120 HD23 LEU 120 -4.260 -2.002 -2.282 986 3HD2 LEU 120 HD22 LEU 120 -2.982 -1.076 -1.495 987 H LYS 121 HN LYS 121 -2.367 -2.066 -7.431 988 HA LYS 121 HA LYS 121 -4.048 0.302 -7.503 989 1HB LYS 121 HB2 LYS 121 -1.751 -0.274 -8.723 990 2HB LYS 121 HB1 LYS 121 -2.839 -0.858 -9.981 991 1HG LYS 121 HG2 LYS 121 -4.051 1.402 -9.742 992 2HG LYS 121 HG1 LYS 121 -2.622 1.935 -8.856 993 1HD LYS 121 HD2 LYS 121 -2.366 2.528 -11.207 994 2HD LYS 121 HD1 LYS 121 -1.211 1.258 -10.803 995 1HE LYS 121 HE2 LYS 121 -2.500 -0.414 -11.885 996 2HE LYS 121 HE1 LYS 121 -3.933 0.612 -11.941 997 1HZ LYS 121 HZ2 LYS 121 -1.533 1.604 -13.266 998 2HZ LYS 121 HZ1 LYS 121 -2.334 0.303 -14.007 999 3HZ LYS 121 HZ3 LYS 121 -3.163 1.754 -13.717 1000 H THR 122 HN THR 122 -4.122 -2.882 -8.995 1001 HA THR 122 HA THR 122 -6.339 -2.405 -10.741 1002 HB THR 122 HB THR 122 -6.433 -5.124 -9.939 1003 HG1 THR 122 HG1 THR 122 -4.047 -5.414 -10.462 1004 1HG2 THR 122 HG21 THR 122 -6.050 -3.560 -12.271 1005 2HG2 THR 122 HG23 THR 122 -4.713 -4.707 -12.208 1006 3HG2 THR 122 HG22 THR 122 -6.376 -5.289 -12.181 1007 H ILE 123 HN ILE 123 -6.197 -3.749 -7.471 1008 HA ILE 123 HA ILE 123 -9.009 -4.221 -7.215 1009 HB ILE 123 HB ILE 123 -6.868 -3.766 -5.124 1010 1HG1 ILE 123 HG12 ILE 123 -6.694 -5.756 -6.716 1011 2HG1 ILE 123 HG11 ILE 123 -6.744 -6.153 -4.998 1012 1HG2 ILE 123 HG23 ILE 123 -9.734 -4.713 -4.879 1013 2HG2 ILE 123 HG22 ILE 123 -8.523 -4.929 -3.614 1014 3HG2 ILE 123 HG21 ILE 123 -9.004 -3.305 -4.107 1015 1HD1 ILE 123 HD13 ILE 123 -9.168 -6.157 -6.823 1016 2HD1 ILE 123 HD12 ILE 123 -8.254 -7.597 -6.379 1017 3HD1 ILE 123 HD11 ILE 123 -9.117 -6.685 -5.142 1018 H MET 124 HN MET 124 -6.990 -1.446 -6.250 1019 HA MET 124 HA MET 124 -9.031 -0.002 -4.893 1020 1HB MET 124 HB2 MET 124 -6.672 1.090 -6.442 1021 2HB MET 124 HB1 MET 124 -7.617 1.976 -5.243 1022 1HG MET 124 HG2 MET 124 -6.543 -0.652 -4.375 1023 2HG MET 124 HG1 MET 124 -5.358 0.627 -4.626 1024 1HE MET 124 HE3 MET 124 -5.275 2.618 -3.878 1025 2HE MET 124 HE2 MET 124 -6.597 3.518 -3.141 1026 3HE MET 124 HE1 MET 124 -5.323 2.848 -2.125 1027 NH1 ARG 125 NH2 ARG 125 -6.751 3.182 -14.896 1028 NH2 ARG 125 NH1 ARG 125 -8.525 4.335 -15.683 1029 H ARG 125 HN ARG 125 -7.920 0.342 -8.257 1030 HA ARG 125 HA ARG 125 -9.850 2.310 -9.000 1031 1HB ARG 125 HB2 ARG 125 -7.642 1.363 -10.160 1032 2HB ARG 125 HB1 ARG 125 -8.819 0.373 -11.021 1033 1HG ARG 125 HG2 ARG 125 -10.048 2.417 -11.680 1034 2HG ARG 125 HG1 ARG 125 -8.842 3.402 -10.847 1035 1HD ARG 125 HD2 ARG 125 -7.131 2.798 -12.363 1036 2HD ARG 125 HD1 ARG 125 -8.031 1.404 -12.953 1037 HE ARG 125 HE ARG 125 -9.623 3.578 -13.625 1038 1HH1 ARG 125 HH21 ARG 125 -6.322 2.610 -14.200 1039 2HH1 ARG 125 HH22 ARG 125 -6.233 3.443 -15.710 1040 1HH2 ARG 125 HH11 ARG 125 -9.469 4.650 -15.587 1041 2HH2 ARG 125 HH12 ARG 125 -7.994 4.587 -16.492 1042 H GLU 126 HN GLU 126 -9.768 -1.112 -9.983 1043 HA GLU 126 HA GLU 126 -12.232 -1.285 -11.234 1044 1HB GLU 126 HB2 GLU 126 -10.307 -3.073 -10.618 1045 2HB GLU 126 HB1 GLU 126 -11.567 -3.588 -9.495 1046 1HG GLU 126 HG2 GLU 126 -13.163 -3.819 -11.311 1047 2HG GLU 126 HG1 GLU 126 -12.006 -3.151 -12.462 1048 H LYS 127 HN LYS 127 -11.703 -1.724 -7.709 1049 HA LYS 127 HA LYS 127 -14.562 -2.184 -7.320 1050 1HB LYS 127 HB2 LYS 127 -12.205 -2.671 -5.834 1051 2HB LYS 127 HB1 LYS 127 -13.196 -1.586 -4.859 1052 1HG LYS 127 HG2 LYS 127 -14.693 -3.216 -4.411 1053 2HG LYS 127 HG1 LYS 127 -14.801 -3.681 -6.108 1054 1HD LYS 127 HD2 LYS 127 -13.082 -5.236 -5.937 1055 2HD LYS 127 HD1 LYS 127 -12.344 -4.421 -4.557 1056 1HE LYS 127 HE2 LYS 127 -13.343 -6.070 -3.346 1057 2HE LYS 127 HE1 LYS 127 -14.788 -5.077 -3.528 1058 1HZ LYS 127 HZ3 LYS 127 -14.740 -6.462 -5.837 1059 2HZ LYS 127 HZ2 LYS 127 -14.131 -7.607 -4.740 1060 3HZ LYS 127 HZ1 LYS 127 -15.649 -6.893 -4.471 1061 OH TYR 128 OH TYR 128 -10.868 1.257 -0.970 1062 H TYR 128 HN TYR 128 -12.499 0.652 -7.227 1063 HA TYR 128 HA TYR 128 -14.571 2.096 -5.708 1064 1HB TYR 128 HB2 TYR 128 -11.876 2.991 -6.738 1065 2HB TYR 128 HB1 TYR 128 -13.014 4.072 -5.933 1066 HD1 TYR 128 HD2 TYR 128 -14.176 2.127 -3.930 1067 HD2 TYR 128 HD1 TYR 128 -10.124 2.886 -5.139 1068 HE1 TYR 128 HE2 TYR 128 -13.377 1.335 -1.744 1069 HE2 TYR 128 HE1 TYR 128 -9.335 2.107 -2.931 1070 HH TYR 128 HH TYR 128 -10.465 2.007 -0.529 1071 H SER 129 HN SER 129 -14.104 1.347 -8.941 1072 HA SER 129 HA SER 129 -15.017 3.849 -10.078 1073 1HB SER 129 HB2 SER 129 -14.098 1.448 -11.118 1074 2HB SER 129 HB1 SER 129 -15.813 1.416 -11.520 1075 HG SER 129 HG SER 129 -14.928 2.556 -13.141 1076 H LYS 130 HN LYS 130 -16.512 1.382 -8.205 1077 HA LYS 130 HA LYS 130 -19.207 2.380 -9.002 1078 1HB LYS 130 HB2 LYS 130 -18.424 -0.150 -9.324 1079 2HB LYS 130 HB1 LYS 130 -18.872 -0.245 -7.620 1080 1HG LYS 130 HG2 LYS 130 -21.019 1.093 -8.561 1081 2HG LYS 130 HG1 LYS 130 -20.592 0.178 -10.008 1082 1HD LYS 130 HD2 LYS 130 -20.982 -1.028 -7.254 1083 2HD LYS 130 HD1 LYS 130 -22.184 -1.057 -8.544 1084 1HE LYS 130 HE2 LYS 130 -19.459 -2.045 -9.232 1085 2HE LYS 130 HE1 LYS 130 -20.432 -3.063 -8.170 1086 1HZ LYS 130 HZ3 LYS 130 -21.318 -1.992 -10.795 1087 2HZ LYS 130 HZ2 LYS 130 -20.781 -3.579 -10.516 1088 3HZ LYS 130 HZ1 LYS 130 -22.208 -3.022 -9.783 1089 H CYS 131 HN CYS 131 -16.998 2.843 -6.629 1090 HA CYS 131 HA CYS 131 -18.271 2.232 -4.182 1091 1HB CYS 131 HB2 CYS 131 -16.078 3.128 -4.022 1092 2HB CYS 131 HB1 CYS 131 -16.485 4.520 -5.026 1093 H SER 132 HN SER 132 -18.437 5.298 -6.000 1094 HA SER 132 HA SER 132 -20.967 5.946 -4.589 1095 1HB SER 132 HB2 SER 132 -20.461 7.984 -6.422 1096 2HB SER 132 HB1 SER 132 -20.057 8.021 -4.709 1097 HG SER 132 HG SER 132 -18.010 7.429 -5.174 1098 H SER 133 HN SER 133 -22.881 6.484 -5.932 1099 HA SER 133 HA SER 133 -22.753 5.201 -8.633 1100 1HB SER 133 HB2 SER 133 -24.763 4.845 -6.420 1101 2HB SER 133 HB1 SER 133 -25.216 4.564 -8.098 1102 HG SER 133 HG SER 133 -22.836 3.421 -7.523
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