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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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6522 |
1j6q ![]() ![]() |
5007 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name 1 H SER 32 H SER 32 16.980 -3.706 14.415 2 HA SER 32 HA SER 32 17.295 -4.498 12.280 3 1HB SER 32 HB3 SER 32 15.203 -6.250 12.056 4 2HB SER 32 HB2 SER 32 16.634 -6.456 13.057 5 HG SER 32 HG SER 32 14.335 -5.146 14.057 6 H ASN 33 H ASN 33 13.723 -4.425 11.861 7 HA ASN 33 HA ASN 33 13.828 -2.132 10.262 8 1HB ASN 33 HB2 ASN 33 14.537 -4.461 8.754 9 2HB ASN 33 HB3 ASN 33 12.858 -4.123 8.344 10 1HD2 ASN 33 HD21 ASN 33 15.897 -2.282 8.946 11 2HD2 ASN 33 HD22 ASN 33 15.712 -1.218 7.548 12 H LEU 34 H LEU 34 11.849 -1.220 10.320 13 HA LEU 34 HA LEU 34 9.908 -2.548 11.998 14 1HB LEU 34 HB2 LEU 34 9.950 0.212 10.710 15 2HB LEU 34 HB3 LEU 34 8.743 -0.369 11.854 16 HG LEU 34 HG LEU 34 11.112 -0.982 13.176 17 1HD1 LEU 34 HD11 LEU 34 12.441 0.369 11.572 18 2HD1 LEU 34 HD12 LEU 34 11.411 1.777 11.913 19 3HD1 LEU 34 HD13 LEU 34 12.432 1.086 13.190 20 1HD2 LEU 34 HD21 LEU 34 9.373 1.502 13.448 21 2HD2 LEU 34 HD22 LEU 34 10.474 0.851 14.684 22 3HD2 LEU 34 HD23 LEU 34 9.060 -0.089 14.182 23 H ASN 35 H ASN 35 9.761 -4.243 10.151 24 HA ASN 35 HA ASN 35 7.791 -3.641 8.057 25 1HB ASN 35 HB2 ASN 35 8.868 -6.297 9.101 26 2HB ASN 35 HB3 ASN 35 7.816 -6.076 7.690 27 1HD2 ASN 35 HD21 ASN 35 11.083 -6.262 8.646 28 2HD2 ASN 35 HD22 ASN 35 11.738 -5.706 7.119 29 H LEU 36 H LEU 36 6.461 -2.588 9.935 30 HA LEU 36 HA LEU 36 4.618 -4.613 11.129 31 1HB LEU 36 HB2 LEU 36 3.999 -3.203 12.767 32 2HB LEU 36 HB3 LEU 36 5.726 -2.892 12.664 33 HG LEU 36 HG LEU 36 3.529 -1.107 11.454 34 1HD1 LEU 36 HD11 LEU 36 5.077 -0.838 14.053 35 2HD1 LEU 36 HD12 LEU 36 3.973 0.372 13.361 36 3HD1 LEU 36 HD13 LEU 36 3.345 -1.199 13.881 37 1HD2 LEU 36 HD21 LEU 36 5.362 0.598 11.407 38 2HD2 LEU 36 HD22 LEU 36 6.511 -0.671 11.874 39 3HD2 LEU 36 HD23 LEU 36 5.664 -0.751 10.307 40 H PHE 37 H PHE 37 2.335 -3.991 11.157 41 HA PHE 37 HA PHE 37 1.481 -3.169 8.461 42 1HB PHE 37 HB2 PHE 37 -0.054 -4.443 10.759 43 2HB PHE 37 HB3 PHE 37 -0.673 -4.140 9.146 44 HD1 PHE 37 HD1 PHE 37 -0.056 -5.569 7.261 45 HD2 PHE 37 HD2 PHE 37 1.679 -6.237 11.147 46 HE1 PHE 37 HE1 PHE 37 0.759 -7.803 6.526 47 HE2 PHE 37 HE2 PHE 37 2.526 -8.435 10.394 48 HZ PHE 37 HZ PHE 37 2.032 -9.244 8.093 49 H TYR 38 H TYR 38 0.891 -1.056 8.213 50 HA TYR 38 HA TYR 38 -0.190 0.464 10.532 51 1HB TYR 38 HB2 TYR 38 2.314 0.704 9.290 52 2HB TYR 38 HB3 TYR 38 1.350 1.861 8.394 53 HD1 TYR 38 HD1 TYR 38 1.189 1.053 12.110 54 HD2 TYR 38 HD2 TYR 38 2.738 3.685 9.095 55 HE1 TYR 38 HE1 TYR 38 1.705 2.705 13.835 56 HE2 TYR 38 HE2 TYR 38 3.254 5.374 10.821 57 HH TYR 38 HH TYR 38 2.500 4.798 14.269 58 H THR 39 H THR 39 -1.881 1.982 10.098 59 HA THR 39 HA THR 39 -3.535 1.232 7.900 60 HB THR 39 HB THR 39 -4.714 3.431 9.058 61 HG1 THR 39 HG1 THR 39 -4.049 3.507 11.202 62 1HG2 THR 39 HG21 THR 39 -5.823 1.847 10.604 63 2HG2 THR 39 HG22 THR 39 -5.705 1.176 8.971 64 3HG2 THR 39 HG23 THR 39 -4.587 0.621 10.240 65 HA PRO 40 HA PRO 40 -2.067 4.145 4.884 66 1HB PRO 40 HB2 PRO 40 -4.414 4.868 3.583 67 2HB PRO 40 HB3 PRO 40 -3.481 3.378 3.305 68 1HG PRO 40 HG2 PRO 40 -5.906 3.749 5.063 69 2HG PRO 40 HG3 PRO 40 -5.554 2.423 3.912 70 1HD PRO 40 HD2 PRO 40 -5.156 2.102 6.555 71 2HD PRO 40 HD3 PRO 40 -3.981 1.441 5.377 72 H SER 41 H SER 41 -5.119 5.190 6.566 73 HA SER 41 HA SER 41 -4.942 7.863 6.492 74 1HB SER 41 HB2 SER 41 -5.540 6.478 9.118 75 2HB SER 41 HB3 SER 41 -6.455 7.760 8.300 76 HG SER 41 HG SER 41 -7.341 5.528 8.195 77 H GLU 42 H GLU 42 -3.034 5.731 8.569 78 HA GLU 42 HA GLU 42 -1.968 7.712 10.322 79 1HB GLU 42 HB2 GLU 42 -2.023 5.069 10.443 80 2HB GLU 42 HB3 GLU 42 -0.541 5.141 9.493 81 1HG GLU 42 HG2 GLU 42 0.001 4.950 11.795 82 2HG GLU 42 HG3 GLU 42 0.468 6.573 11.271 83 H ILE 43 H ILE 43 -0.778 6.088 7.385 84 HA ILE 43 HA ILE 43 1.499 7.937 7.112 85 HB ILE 43 HB ILE 43 2.084 6.516 5.159 86 1HG1 ILE 43 HG12 ILE 43 -0.152 4.692 6.121 87 2HG1 ILE 43 HG13 ILE 43 -0.210 5.691 4.657 88 1HG2 ILE 43 HG21 ILE 43 2.960 6.220 7.489 89 2HG2 ILE 43 HG22 ILE 43 1.637 5.073 7.788 90 3HG2 ILE 43 HG23 ILE 43 2.898 4.704 6.590 91 1HD1 ILE 43 HD11 ILE 43 1.640 3.358 5.268 92 2HD1 ILE 43 HD12 ILE 43 0.399 3.493 4.016 93 3HD1 ILE 43 HD13 ILE 43 1.879 4.471 3.896 94 H VAL 44 H VAL 44 -0.835 9.276 7.095 95 HA VAL 44 HA VAL 44 -0.514 10.765 4.593 96 HB VAL 44 HB VAL 44 -3.219 9.774 5.573 97 1HG1 VAL 44 HG11 VAL 44 -4.223 11.339 3.903 98 2HG1 VAL 44 HG12 VAL 44 -3.450 12.212 5.225 99 3HG1 VAL 44 HG13 VAL 44 -2.626 12.073 3.655 100 1HG2 VAL 44 HG21 VAL 44 -2.269 8.314 3.987 101 2HG2 VAL 44 HG22 VAL 44 -3.558 9.209 3.192 102 3HG2 VAL 44 HG23 VAL 44 -1.865 9.649 2.874 103 H ASN 45 H ASN 45 -2.287 10.515 7.731 104 HA ASN 45 HA ASN 45 -2.343 13.384 8.045 105 1HB ASN 45 HB2 ASN 45 -2.971 11.117 9.944 106 2HB ASN 45 HB3 ASN 45 -3.180 12.828 10.342 107 1HD2 ASN 45 HD21 ASN 45 -4.362 10.236 8.177 108 2HD2 ASN 45 HD22 ASN 45 -5.840 11.092 7.738 109 H GLY 46 H GLY 46 -0.048 13.771 7.702 110 1HA GLY 46 HA1 GLY 46 1.761 14.888 8.660 111 2HA GLY 46 HA2 GLY 46 1.051 14.606 10.254 112 H LYS 47 H LYS 47 2.361 12.582 7.631 113 HA LYS 47 HA LYS 47 4.414 11.334 9.267 114 1HB LYS 47 HB2 LYS 47 2.051 9.742 8.310 115 2HB LYS 47 HB3 LYS 47 3.624 9.051 8.796 116 1HG LYS 47 HG2 LYS 47 3.352 10.501 10.940 117 2HG LYS 47 HG3 LYS 47 1.640 10.618 10.474 118 1HD LYS 47 HD2 LYS 47 1.384 8.273 10.612 119 2HD LYS 47 HD3 LYS 47 3.125 7.994 10.886 120 1HE LYS 47 HE2 LYS 47 2.993 9.502 12.879 121 2HE LYS 47 HE3 LYS 47 1.242 9.613 12.689 122 1HZ LYS 47 HZ1 LYS 47 2.515 6.964 13.155 123 2HZ LYS 47 HZ2 LYS 47 1.925 7.955 14.343 124 3HZ LYS 47 HZ3 LYS 47 0.946 7.409 13.199 125 H THR 48 H THR 48 3.310 9.452 6.640 126 HA THR 48 HA THR 48 5.619 9.792 5.069 127 HB THR 48 HB THR 48 2.883 8.592 4.525 128 HG1 THR 48 HG1 THR 48 4.192 6.677 4.940 129 1HG2 THR 48 HG21 THR 48 4.049 7.261 2.745 130 2HG2 THR 48 HG22 THR 48 3.787 8.952 2.371 131 3HG2 THR 48 HG23 THR 48 5.405 8.425 2.869 132 H ASP 49 H ASP 49 2.254 10.742 4.138 133 HA ASP 49 HA ASP 49 2.614 12.105 1.807 134 1HB ASP 49 HB2 ASP 49 0.420 12.017 2.679 135 2HB ASP 49 HB3 ASP 49 0.930 12.620 4.266 136 H THR 50 H THR 50 2.844 13.628 4.987 137 HA THR 50 HA THR 50 3.948 16.039 3.975 138 HB THR 50 HB THR 50 3.890 15.387 6.898 139 HG1 THR 50 HG1 THR 50 1.601 15.229 5.222 140 1HG2 THR 50 HG21 THR 50 2.684 17.523 7.019 141 2HG2 THR 50 HG22 THR 50 4.171 17.721 6.065 142 3HG2 THR 50 HG23 THR 50 2.596 17.601 5.246 143 H GLY 51 H GLY 51 5.498 13.127 4.601 144 1HA GLY 51 HA1 GLY 51 7.530 12.395 5.194 145 2HA GLY 51 HA2 GLY 51 8.113 13.850 4.380 146 H VAL 52 H VAL 52 6.232 13.557 7.454 147 HA VAL 52 HA VAL 52 8.354 15.288 8.697 148 HB VAL 52 HB VAL 52 6.788 15.676 10.523 149 1HG1 VAL 52 HG11 VAL 52 5.373 17.227 9.264 150 2HG1 VAL 52 HG12 VAL 52 7.035 17.243 8.650 151 3HG1 VAL 52 HG13 VAL 52 5.769 16.389 7.754 152 1HG2 VAL 52 HG21 VAL 52 5.348 13.695 10.378 153 2HG2 VAL 52 HG22 VAL 52 4.402 15.180 10.216 154 3HG2 VAL 52 HG23 VAL 52 4.772 14.213 8.776 155 H LYS 53 H LYS 53 6.787 12.149 9.296 156 HA LYS 53 HA LYS 53 8.858 11.609 11.377 157 1HB LYS 53 HB2 LYS 53 6.048 10.611 11.003 158 2HB LYS 53 HB3 LYS 53 7.226 9.671 11.943 159 1HG LYS 53 HG2 LYS 53 6.724 12.628 12.454 160 2HG LYS 53 HG3 LYS 53 5.679 11.374 13.135 161 1HD LYS 53 HD2 LYS 53 7.584 10.303 14.249 162 2HD LYS 53 HD3 LYS 53 8.706 11.503 13.575 163 1HE LYS 53 HE2 LYS 53 7.568 13.322 14.756 164 2HE LYS 53 HE3 LYS 53 6.320 12.207 15.327 165 1HZ LYS 53 HZ1 LYS 53 7.972 12.654 17.014 166 2HZ LYS 53 HZ2 LYS 53 8.033 11.065 16.599 167 3HZ LYS 53 HZ3 LYS 53 9.184 12.107 16.051 168 HA PRO 54 HA PRO 54 9.657 7.848 8.836 169 1HB PRO 54 HB2 PRO 54 8.041 6.829 6.903 170 2HB PRO 54 HB3 PRO 54 7.749 6.557 8.647 171 1HG PRO 54 HG2 PRO 54 6.479 8.652 6.866 172 2HG PRO 54 HG3 PRO 54 5.650 7.520 7.967 173 1HD PRO 54 HD2 PRO 54 6.268 10.087 8.699 174 2HD PRO 54 HD3 PRO 54 6.351 8.718 9.861 175 H GLU 55 H GLU 55 11.393 8.721 7.712 176 HA GLU 55 HA GLU 55 11.194 10.419 5.406 177 1HB GLU 55 HB2 GLU 55 13.439 8.582 6.376 178 2HB GLU 55 HB3 GLU 55 13.605 9.914 5.231 179 1HG GLU 55 HG2 GLU 55 12.966 11.531 7.004 180 2HG GLU 55 HG3 GLU 55 12.822 10.213 8.178 181 H ALA 56 H ALA 56 11.622 9.728 3.203 182 HA ALA 56 HA ALA 56 10.434 7.300 2.433 183 1HB ALA 56 HB1 ALA 56 11.173 7.881 0.150 184 2HB ALA 56 HB2 ALA 56 10.630 9.328 1.000 185 3HB ALA 56 HB3 ALA 56 12.360 9.025 0.818 186 H GLY 57 H GLY 57 11.591 5.477 1.156 187 1HA GLY 57 HA1 GLY 57 13.358 4.081 0.755 188 2HA GLY 57 HA2 GLY 57 14.420 5.046 1.774 189 H GLN 58 H GLN 58 11.674 4.395 3.614 190 HA GLN 58 HA GLN 58 13.055 2.191 5.073 191 1HB GLN 58 HB2 GLN 58 10.775 4.056 5.825 192 2HB GLN 58 HB3 GLN 58 11.434 2.775 6.858 193 1HG GLN 58 HG2 GLN 58 13.673 3.840 6.779 194 2HG GLN 58 HG3 GLN 58 13.025 5.158 5.788 195 1HE2 GLN 58 HE21 GLN 58 11.336 6.549 6.730 196 2HE2 GLN 58 HE22 GLN 58 11.278 6.693 8.498 197 H ARG 59 H ARG 59 11.974 0.231 5.608 198 HA ARG 59 HA ARG 59 9.732 -0.489 3.828 199 1HB ARG 59 HB2 ARG 59 11.270 -2.122 5.892 200 2HB ARG 59 HB3 ARG 59 9.811 -2.625 5.069 201 1HG ARG 59 HG2 ARG 59 11.164 -2.200 2.849 202 2HG ARG 59 HG3 ARG 59 12.571 -2.396 3.919 203 1HD ARG 59 HD2 ARG 59 11.610 -4.552 4.750 204 2HD ARG 59 HD3 ARG 59 10.172 -4.286 3.741 205 HE ARG 59 HE ARG 59 12.709 -4.436 2.292 206 1HH1 ARG 59 HH22 ARG 59 9.888 -6.363 3.563 207 2HH1 ARG 59 HH21 ARG 59 9.959 -7.438 2.202 208 1HH2 ARG 59 HH11 ARG 59 12.832 -6.185 0.693 209 2HH2 ARG 59 HH12 ARG 59 11.584 -7.413 0.720 210 H ILE 60 H ILE 60 7.695 -0.812 4.472 211 HA ILE 60 HA ILE 60 6.979 -1.270 7.237 212 HB ILE 60 HB ILE 60 5.229 0.381 7.394 213 1HG1 ILE 60 HG12 ILE 60 6.159 1.505 4.727 214 2HG1 ILE 60 HG13 ILE 60 4.670 0.596 4.982 215 1HG2 ILE 60 HG21 ILE 60 7.505 1.004 8.206 216 2HG2 ILE 60 HG22 ILE 60 7.776 1.897 6.690 217 3HG2 ILE 60 HG23 ILE 60 6.495 2.387 7.815 218 1HD1 ILE 60 HD11 ILE 60 4.095 2.902 4.925 219 2HD1 ILE 60 HD12 ILE 60 3.849 2.291 6.573 220 3HD1 ILE 60 HD13 ILE 60 5.259 3.309 6.195 221 H ARG 61 H ARG 61 4.412 -1.870 7.156 222 HA ARG 61 HA ARG 61 3.728 -2.720 4.385 223 1HB ARG 61 HB2 ARG 61 2.541 -4.098 6.759 224 2HB ARG 61 HB3 ARG 61 2.765 -4.667 5.106 225 1HG ARG 61 HG2 ARG 61 5.298 -4.739 5.647 226 2HG ARG 61 HG3 ARG 61 4.844 -4.361 7.307 227 1HD ARG 61 HD2 ARG 61 3.222 -6.381 7.093 228 2HD ARG 61 HD3 ARG 61 4.237 -6.890 5.745 229 HE ARG 61 HE ARG 61 5.209 -6.257 8.533 230 1HH1 ARG 61 HH22 ARG 61 5.592 -8.449 5.751 231 2HH1 ARG 61 HH21 ARG 61 6.469 -9.618 6.666 232 1HH2 ARG 61 HH11 ARG 61 6.529 -7.524 9.558 233 2HH2 ARG 61 HH12 ARG 61 7.061 -9.087 8.952 234 H VAL 62 H VAL 62 1.983 -1.600 3.615 235 HA VAL 62 HA VAL 62 0.398 -0.024 5.571 236 HB VAL 62 HB VAL 62 0.926 1.114 3.521 237 1HG1 VAL 62 HG11 VAL 62 -0.178 0.491 1.388 238 2HG1 VAL 62 HG12 VAL 62 1.030 -0.702 1.889 239 3HG1 VAL 62 HG13 VAL 62 -0.714 -1.029 2.104 240 1HG2 VAL 62 HG21 VAL 62 -1.325 1.907 3.014 241 2HG2 VAL 62 HG22 VAL 62 -2.047 0.450 3.703 242 3HG2 VAL 62 HG23 VAL 62 -1.184 1.596 4.752 243 H GLY 63 H GLY 63 -1.709 -0.705 6.164 244 1HA GLY 63 HA1 GLY 63 -2.820 -3.122 4.796 245 2HA GLY 63 HA2 GLY 63 -2.676 -3.078 6.557 246 H GLY 64 H GLY 64 -4.847 -2.667 4.083 247 1HA GLY 64 HA1 GLY 64 -6.699 -1.024 5.544 248 2HA GLY 64 HA2 GLY 64 -5.864 -0.075 4.295 249 H MET 65 H MET 65 -8.181 0.039 3.541 250 HA MET 65 HA MET 65 -9.106 -2.425 2.181 251 1HB MET 65 HB2 MET 65 -11.331 -1.551 2.213 252 2HB MET 65 HB3 MET 65 -10.618 -1.715 3.820 253 1HG MET 65 HG2 MET 65 -10.122 0.759 3.763 254 2HG MET 65 HG3 MET 65 -10.984 0.842 2.229 255 1HE MET 65 HE1 MET 65 -12.824 0.011 6.383 256 2HE MET 65 HE2 MET 65 -11.948 -1.251 5.495 257 3HE MET 65 HE3 MET 65 -11.089 0.209 6.041 258 H VAL 66 H VAL 66 -9.308 -2.587 0.146 259 HA VAL 66 HA VAL 66 -8.057 -0.671 -1.618 260 HB VAL 66 HB VAL 66 -9.612 -3.241 -2.150 261 1HG1 VAL 66 HG11 VAL 66 -7.913 -1.491 -3.954 262 2HG1 VAL 66 HG12 VAL 66 -9.598 -1.986 -4.197 263 3HG1 VAL 66 HG13 VAL 66 -8.316 -3.190 -4.305 264 1HG2 VAL 66 HG21 VAL 66 -6.631 -2.692 -1.860 265 2HG2 VAL 66 HG22 VAL 66 -7.340 -4.225 -2.416 266 3HG2 VAL 66 HG23 VAL 66 -7.628 -3.663 -0.767 267 H THR 67 H THR 67 -9.037 1.152 -2.431 268 HA THR 67 HA THR 67 -11.820 1.578 -2.616 269 HB THR 67 HB THR 67 -9.559 2.765 -4.272 270 HG1 THR 67 HG1 THR 67 -9.548 4.325 -2.600 271 1HG2 THR 67 HG21 THR 67 -11.795 3.337 -5.180 272 2HG2 THR 67 HG22 THR 67 -12.343 3.819 -3.553 273 3HG2 THR 67 HG23 THR 67 -11.073 4.742 -4.386 274 H VAL 68 H VAL 68 -13.194 0.534 -3.850 275 HA VAL 68 HA VAL 68 -12.743 -1.608 -5.387 276 HB VAL 68 HB VAL 68 -14.903 -0.996 -4.498 277 1HG1 VAL 68 HG11 VAL 68 -15.249 0.932 -6.836 278 2HG1 VAL 68 HG12 VAL 68 -16.436 0.528 -5.591 279 3HG1 VAL 68 HG13 VAL 68 -14.974 1.420 -5.148 280 1HG2 VAL 68 HG21 VAL 68 -16.306 -1.888 -6.269 281 2HG2 VAL 68 HG22 VAL 68 -15.088 -1.503 -7.497 282 3HG2 VAL 68 HG23 VAL 68 -14.748 -2.733 -6.260 283 H GLY 69 H GLY 69 -12.931 1.686 -6.741 284 1HA GLY 69 HA1 GLY 69 -12.094 0.626 -9.433 285 2HA GLY 69 HA2 GLY 69 -13.111 2.041 -9.155 286 H SER 70 H SER 70 -9.981 0.870 -7.768 287 HA SER 70 HA SER 70 -8.687 3.316 -8.933 288 1HB SER 70 HB2 SER 70 -8.245 2.319 -6.107 289 2HB SER 70 HB3 SER 70 -7.513 3.741 -6.895 290 HG SER 70 HG SER 70 -9.933 4.182 -7.342 291 H MET 71 H MET 71 -8.576 -0.029 -8.861 292 HA MET 71 HA MET 71 -5.717 -0.390 -8.914 293 1HB MET 71 HB2 MET 71 -7.191 -2.224 -8.331 294 2HB MET 71 HB3 MET 71 -8.149 -1.948 -9.779 295 1HG MET 71 HG2 MET 71 -7.070 -3.953 -10.057 296 2HG MET 71 HG3 MET 71 -6.418 -2.808 -11.217 297 1HE MET 71 HE1 MET 71 -2.752 -2.480 -10.204 298 2HE MET 71 HE2 MET 71 -4.052 -1.362 -9.792 299 3HE MET 71 HE3 MET 71 -4.042 -2.140 -11.393 300 H VAL 72 H VAL 72 -4.541 0.676 -10.575 301 HA VAL 72 HA VAL 72 -5.640 0.422 -13.339 302 HB VAL 72 HB VAL 72 -4.763 2.567 -13.961 303 1HG1 VAL 72 HG11 VAL 72 -6.602 2.854 -11.546 304 2HG1 VAL 72 HG12 VAL 72 -6.434 3.981 -12.903 305 3HG1 VAL 72 HG13 VAL 72 -7.120 2.369 -13.175 306 1HG2 VAL 72 HG21 VAL 72 -4.052 4.233 -12.280 307 2HG2 VAL 72 HG22 VAL 72 -4.093 2.983 -11.019 308 3HG2 VAL 72 HG23 VAL 72 -2.942 2.859 -12.381 309 H ARG 73 H ARG 73 -4.080 0.114 -14.976 310 HA ARG 73 HA ARG 73 -1.490 -0.935 -14.006 311 1HB ARG 73 HB2 ARG 73 -1.945 -3.085 -15.077 312 2HB ARG 73 HB3 ARG 73 -3.220 -2.731 -13.889 313 1HG ARG 73 HG2 ARG 73 -4.687 -1.925 -15.737 314 2HG ARG 73 HG3 ARG 73 -3.460 -2.486 -16.898 315 1HD ARG 73 HD2 ARG 73 -3.650 -4.774 -15.997 316 2HD ARG 73 HD3 ARG 73 -4.848 -4.204 -14.803 317 HE ARG 73 HE ARG 73 -5.680 -3.493 -17.444 318 1HH1 ARG 73 HH22 ARG 73 -5.378 -6.301 -15.344 319 2HH1 ARG 73 HH21 ARG 73 -6.690 -7.193 -16.048 320 1HH2 ARG 73 HH11 ARG 73 -7.441 -4.635 -18.423 321 2HH2 ARG 73 HH12 ARG 73 -7.886 -6.213 -17.861 322 H ASP 74 H ASP 74 0.142 -0.984 -15.573 323 HA ASP 74 HA ASP 74 -0.252 0.652 -17.943 324 1HB ASP 74 HB2 ASP 74 2.022 -1.071 -16.863 325 2HB ASP 74 HB3 ASP 74 2.081 -0.323 -18.458 326 HA PRO 75 HA PRO 75 -0.996 -2.930 -20.677 327 1HB PRO 75 HB2 PRO 75 -0.200 -1.908 -23.101 328 2HB PRO 75 HB3 PRO 75 -1.707 -1.354 -22.313 329 1HG PRO 75 HG2 PRO 75 1.022 -0.033 -22.208 330 2HG PRO 75 HG3 PRO 75 -0.547 0.735 -22.587 331 1HD PRO 75 HD2 PRO 75 0.548 0.831 -20.093 332 2HD PRO 75 HD3 PRO 75 -1.220 0.671 -20.308 333 H ASN 76 H ASN 76 2.025 -1.308 -20.154 334 HA ASN 76 HA ASN 76 3.860 -3.172 -21.153 335 1HB ASN 76 HB2 ASN 76 3.890 -1.783 -18.423 336 2HB ASN 76 HB3 ASN 76 5.262 -2.559 -19.216 337 1HD2 ASN 76 HD21 ASN 76 4.124 0.561 -18.614 338 2HD2 ASN 76 HD22 ASN 76 4.769 1.261 -20.073 339 H SER 77 H SER 77 1.481 -3.499 -18.528 340 HA SER 77 HA SER 77 0.690 -5.257 -17.421 341 1HB SER 77 HB2 SER 77 2.176 -7.001 -19.432 342 2HB SER 77 HB3 SER 77 0.835 -7.474 -18.389 343 HG SER 77 HG SER 77 0.750 -5.477 -20.425 344 H LEU 78 H LEU 78 3.220 -4.089 -16.700 345 HA LEU 78 HA LEU 78 4.159 -6.030 -14.667 346 1HB LEU 78 HB2 LEU 78 6.482 -5.720 -15.340 347 2HB LEU 78 HB3 LEU 78 5.466 -6.593 -16.479 348 HG LEU 78 HG LEU 78 5.167 -4.142 -17.580 349 1HD1 LEU 78 HD11 LEU 78 6.429 -3.009 -15.865 350 2HD1 LEU 78 HD12 LEU 78 7.860 -3.993 -16.216 351 3HD1 LEU 78 HD13 LEU 78 7.221 -2.858 -17.443 352 1HD2 LEU 78 HD21 LEU 78 6.869 -4.731 -19.154 353 2HD2 LEU 78 HD22 LEU 78 7.599 -5.881 -17.989 354 3HD2 LEU 78 HD23 LEU 78 5.973 -6.175 -18.652 355 H HIS 79 H HIS 79 2.843 -3.102 -15.074 356 HA HIS 79 HA HIS 79 4.158 -1.962 -12.744 357 1HB HIS 79 HB2 HIS 79 3.711 -0.569 -15.409 358 2HB HIS 79 HB3 HIS 79 3.862 0.297 -13.884 359 HD1 HIS 79 HD1 HIS 79 6.401 -1.265 -12.692 360 HD2 HIS 79 HD2 HIS 79 5.896 0.121 -16.637 361 HE1 HIS 79 HE1 HIS 79 8.735 -0.936 -13.650 362 H VAL 80 H VAL 80 2.558 -1.520 -11.381 363 HA VAL 80 HA VAL 80 -0.213 -1.111 -12.293 364 HB VAL 80 HB VAL 80 -0.556 -2.976 -10.334 365 1HG1 VAL 80 HG11 VAL 80 -0.304 -3.538 -13.303 366 2HG1 VAL 80 HG12 VAL 80 -1.104 -4.597 -12.125 367 3HG1 VAL 80 HG13 VAL 80 -1.732 -2.966 -12.395 368 1HG2 VAL 80 HG21 VAL 80 1.778 -4.104 -11.948 369 2HG2 VAL 80 HG22 VAL 80 1.863 -3.606 -10.248 370 3HG2 VAL 80 HG23 VAL 80 0.819 -4.944 -10.729 371 H GLN 81 H GLN 81 -1.378 0.187 -10.847 372 HA GLN 81 HA GLN 81 -0.184 0.533 -8.157 373 1HB GLN 81 HB2 GLN 81 -0.262 3.007 -8.405 374 2HB GLN 81 HB3 GLN 81 0.968 2.239 -9.432 375 1HG GLN 81 HG2 GLN 81 -0.379 2.463 -11.407 376 2HG GLN 81 HG3 GLN 81 -1.798 2.897 -10.434 377 1HE2 GLN 81 HE21 GLN 81 -2.299 4.960 -11.002 378 2HE2 GLN 81 HE22 GLN 81 -1.129 6.263 -11.003 379 H PHE 82 H PHE 82 -1.586 1.538 -6.663 380 HA PHE 82 HA PHE 82 -4.445 1.640 -7.393 381 1HB PHE 82 HB2 PHE 82 -5.052 -0.223 -5.919 382 2HB PHE 82 HB3 PHE 82 -4.057 -0.753 -7.244 383 HD1 PHE 82 HD1 PHE 82 -3.816 0.169 -3.600 384 HD2 PHE 82 HD2 PHE 82 -2.091 -2.021 -6.893 385 HE1 PHE 82 HE1 PHE 82 -2.430 -1.137 -2.015 386 HE2 PHE 82 HE2 PHE 82 -0.640 -3.245 -5.306 387 HZ PHE 82 HZ PHE 82 -0.860 -2.867 -2.863 388 H ALA 83 H ALA 83 -5.792 2.287 -5.648 389 HA ALA 83 HA ALA 83 -4.338 3.926 -3.635 390 1HB ALA 83 HB1 ALA 83 -5.858 5.102 -5.260 391 2HB ALA 83 HB2 ALA 83 -7.221 4.218 -4.522 392 3HB ALA 83 HB3 ALA 83 -6.227 5.313 -3.547 393 H VAL 84 H VAL 84 -4.592 3.425 -1.534 394 HA VAL 84 HA VAL 84 -6.731 1.479 -0.722 395 HB VAL 84 HB VAL 84 -3.764 1.255 -0.332 396 1HG1 VAL 84 HG11 VAL 84 -4.372 1.560 1.995 397 2HG1 VAL 84 HG12 VAL 84 -5.755 0.450 1.827 398 3HG1 VAL 84 HG13 VAL 84 -4.091 -0.156 1.705 399 1HG2 VAL 84 HG21 VAL 84 -5.173 -0.264 -1.798 400 2HG2 VAL 84 HG22 VAL 84 -4.289 -1.124 -0.518 401 3HG2 VAL 84 HG23 VAL 84 -6.019 -0.799 -0.336 402 H HIS 85 H HIS 85 -7.853 2.054 1.058 403 HA HIS 85 HA HIS 85 -6.970 4.472 2.563 404 1HB HIS 85 HB2 HIS 85 -9.018 5.582 2.230 405 2HB HIS 85 HB3 HIS 85 -8.556 5.030 0.628 406 HD1 HIS 85 HD1 HIS 85 -11.420 4.907 2.987 407 HD2 HIS 85 HD2 HIS 85 -9.863 2.569 -0.141 408 HE1 HIS 85 HE1 HIS 85 -13.336 3.459 2.136 409 H ASP 86 H ASP 86 -9.156 4.770 4.165 410 HA ASP 86 HA ASP 86 -9.772 2.215 5.477 411 1HB ASP 86 HB2 ASP 86 -7.784 3.305 6.628 412 2HB ASP 86 HB3 ASP 86 -8.807 4.738 6.869 413 H SER 87 H SER 87 -11.621 2.841 7.096 414 HA SER 87 HA SER 87 -13.753 4.313 5.855 415 1HB SER 87 HB2 SER 87 -13.263 3.591 8.782 416 2HB SER 87 HB3 SER 87 -14.819 4.022 8.039 417 HG SER 87 HG SER 87 -14.357 2.154 6.592 418 H LEU 88 H LEU 88 -11.052 5.099 8.039 419 HA LEU 88 HA LEU 88 -11.901 7.739 8.695 420 1HB LEU 88 HB2 LEU 88 -9.146 6.497 8.562 421 2HB LEU 88 HB3 LEU 88 -9.473 8.064 9.306 422 HG LEU 88 HG LEU 88 -10.840 5.497 10.242 423 1HD1 LEU 88 HD11 LEU 88 -8.413 5.229 10.472 424 2HD1 LEU 88 HD12 LEU 88 -9.185 5.433 12.051 425 3HD1 LEU 88 HD13 LEU 88 -8.305 6.792 11.316 426 1HD2 LEU 88 HD21 LEU 88 -11.207 6.789 12.308 427 2HD2 LEU 88 HD22 LEU 88 -11.978 7.579 10.931 428 3HD2 LEU 88 HD23 LEU 88 -10.445 8.213 11.570 429 H GLY 89 H GLY 89 -11.079 6.646 5.604 430 1HA GLY 89 HA1 GLY 89 -11.059 7.810 3.662 431 2HA GLY 89 HA2 GLY 89 -11.575 9.226 4.586 432 H GLY 90 H GLY 90 -8.495 7.635 5.265 433 1HA GLY 90 HA1 GLY 90 -6.983 9.949 4.085 434 2HA GLY 90 HA2 GLY 90 -6.440 8.856 5.350 435 H GLU 91 H GLU 91 -7.455 8.975 1.929 436 HA GLU 91 HA GLU 91 -6.576 6.327 1.285 437 1HB GLU 91 HB2 GLU 91 -8.338 7.572 0.066 438 2HB GLU 91 HB3 GLU 91 -7.114 8.689 -0.565 439 1HG GLU 91 HG2 GLU 91 -6.057 6.929 -1.823 440 2HG GLU 91 HG3 GLU 91 -7.008 5.673 -1.012 441 H ILE 92 H ILE 92 -4.630 5.570 0.665 442 HA ILE 92 HA ILE 92 -2.432 7.478 0.127 443 HB ILE 92 HB ILE 92 -2.552 5.588 2.188 444 1HG1 ILE 92 HG12 ILE 92 -1.117 7.336 2.496 445 2HG1 ILE 92 HG13 ILE 92 -0.078 5.925 2.426 446 1HG2 ILE 92 HG21 ILE 92 -0.713 4.385 0.099 447 2HG2 ILE 92 HG22 ILE 92 -0.931 3.873 1.775 448 3HG2 ILE 92 HG23 ILE 92 -2.272 3.706 0.642 449 1HD1 ILE 92 HD11 ILE 92 0.996 7.711 1.343 450 2HD1 ILE 92 HD12 ILE 92 0.500 6.594 0.049 451 3HD1 ILE 92 HD13 ILE 92 -0.397 8.117 0.358 452 H LEU 93 H LEU 93 -1.018 6.857 -1.564 453 HA LEU 93 HA LEU 93 -2.245 5.042 -3.561 454 1HB LEU 93 HB2 LEU 93 -1.001 7.683 -3.662 455 2HB LEU 93 HB3 LEU 93 -0.068 6.589 -4.663 456 HG LEU 93 HG LEU 93 -3.082 6.674 -4.957 457 1HD1 LEU 93 HD11 LEU 93 -1.072 8.547 -6.288 458 2HD1 LEU 93 HD12 LEU 93 -2.788 8.383 -6.717 459 3HD1 LEU 93 HD13 LEU 93 -2.333 9.020 -5.126 460 1HD2 LEU 93 HD21 LEU 93 -2.445 5.968 -7.261 461 2HD2 LEU 93 HD22 LEU 93 -0.724 6.144 -6.844 462 3HD2 LEU 93 HD23 LEU 93 -1.703 4.880 -6.068 463 H VAL 94 H VAL 94 -1.255 3.193 -4.088 464 HA VAL 94 HA VAL 94 1.517 2.665 -3.112 465 HB VAL 94 HB VAL 94 -0.793 0.747 -3.542 466 1HG1 VAL 94 HG11 VAL 94 1.352 -0.362 -3.854 467 2HG1 VAL 94 HG12 VAL 94 1.988 0.359 -2.362 468 3HG1 VAL 94 HG13 VAL 94 0.693 -0.847 -2.286 469 1HG2 VAL 94 HG21 VAL 94 0.311 1.935 -0.966 470 2HG2 VAL 94 HG22 VAL 94 -1.339 2.105 -1.601 471 3HG2 VAL 94 HG23 VAL 94 -0.779 0.532 -1.029 472 H THR 95 H THR 95 2.939 1.874 -4.616 473 HA THR 95 HA THR 95 1.991 1.497 -7.417 474 HB THR 95 HB THR 95 4.455 2.263 -7.871 475 HG1 THR 95 HG1 THR 95 4.588 2.354 -5.279 476 1HG2 THR 95 HG21 THR 95 3.818 4.663 -7.794 477 2HG2 THR 95 HG22 THR 95 2.520 3.667 -8.468 478 3HG2 THR 95 HG23 THR 95 2.406 4.254 -6.794 479 H TYR 96 H TYR 96 2.880 -0.321 -8.495 480 HA TYR 96 HA TYR 96 4.588 -2.182 -6.950 481 1HB TYR 96 HB2 TYR 96 2.071 -2.404 -6.520 482 2HB TYR 96 HB3 TYR 96 1.874 -2.824 -8.197 483 HD1 TYR 96 HD1 TYR 96 3.380 -4.887 -9.012 484 HD2 TYR 96 HD2 TYR 96 2.250 -4.089 -4.942 485 HE1 TYR 96 HE1 TYR 96 3.631 -7.303 -8.471 486 HE2 TYR 96 HE2 TYR 96 2.473 -6.490 -4.424 487 HH TYR 96 HH TYR 96 3.618 -8.426 -5.142 488 H ASP 97 H ASP 97 6.174 -3.014 -8.337 489 HA ASP 97 HA ASP 97 5.826 -2.531 -11.235 490 1HB ASP 97 HB2 ASP 97 8.263 -2.187 -11.168 491 2HB ASP 97 HB3 ASP 97 7.408 -1.068 -10.096 492 H ASP 98 H ASP 98 4.733 -4.861 -10.517 493 HA ASP 98 HA ASP 98 6.056 -6.628 -12.257 494 1HB ASP 98 HB2 ASP 98 7.337 -7.122 -10.077 495 2HB ASP 98 HB3 ASP 98 5.813 -7.696 -9.396 496 H LEU 99 H LEU 99 4.559 -8.812 -12.074 497 HA LEU 99 HA LEU 99 1.783 -7.863 -12.247 498 1HB LEU 99 HB2 LEU 99 2.941 -10.667 -12.446 499 2HB LEU 99 HB3 LEU 99 1.239 -10.237 -12.592 500 HG LEU 99 HG LEU 99 2.177 -8.489 -14.406 501 1HD1 LEU 99 HD11 LEU 99 4.131 -10.832 -14.564 502 2HD1 LEU 99 HD12 LEU 99 3.930 -9.566 -15.791 503 3HD1 LEU 99 HD13 LEU 99 4.558 -9.148 -14.195 504 1HD2 LEU 99 HD21 LEU 99 1.581 -10.128 -16.142 505 2HD2 LEU 99 HD22 LEU 99 1.648 -11.437 -14.939 506 3HD2 LEU 99 HD23 LEU 99 0.427 -10.151 -14.800 507 H LEU 100 H LEU 100 0.458 -7.647 -10.618 508 HA LEU 100 HA LEU 100 0.866 -8.481 -7.922 509 1HB LEU 100 HB2 LEU 100 -1.539 -7.650 -9.614 510 2HB LEU 100 HB3 LEU 100 -1.752 -8.004 -7.909 511 HG LEU 100 HG LEU 100 0.394 -6.033 -8.737 512 1HD1 LEU 100 HD11 LEU 100 -1.599 -5.249 -9.915 513 2HD1 LEU 100 HD12 LEU 100 -2.565 -5.398 -8.447 514 3HD1 LEU 100 HD13 LEU 100 -1.264 -4.204 -8.515 515 1HD2 LEU 100 HD21 LEU 100 -0.064 -5.095 -6.546 516 2HD2 LEU 100 HD22 LEU 100 -1.420 -6.205 -6.288 517 3HD2 LEU 100 HD23 LEU 100 0.231 -6.836 -6.390 518 HA PRO 101 HA PRO 101 -0.304 -12.731 -8.024 519 1HB PRO 101 HB2 PRO 101 -1.740 -13.163 -5.707 520 2HB PRO 101 HB3 PRO 101 -0.008 -12.789 -5.759 521 1HG PRO 101 HG2 PRO 101 -2.252 -10.782 -5.312 522 2HG PRO 101 HG3 PRO 101 -0.796 -11.043 -4.325 523 1HD PRO 101 HD2 PRO 101 -0.850 -9.120 -6.201 524 2HD PRO 101 HD3 PRO 101 0.616 -10.120 -6.027 525 H ASP 102 H ASP 102 -3.433 -12.232 -6.431 526 HA ASP 102 HA ASP 102 -4.850 -13.350 -8.607 527 1HB ASP 102 HB2 ASP 102 -5.952 -11.787 -6.226 528 2HB ASP 102 HB3 ASP 102 -6.759 -13.061 -7.156 529 H LEU 103 H LEU 103 -3.609 -11.167 -9.784 530 HA LEU 103 HA LEU 103 -3.635 -9.129 -10.627 531 1HB LEU 103 HB2 LEU 103 -5.244 -8.668 -12.159 532 2HB LEU 103 HB3 LEU 103 -5.345 -10.410 -12.004 533 HG LEU 103 HG LEU 103 -7.261 -9.143 -10.157 534 1HD1 LEU 103 HD11 LEU 103 -7.480 -8.281 -13.051 535 2HD1 LEU 103 HD12 LEU 103 -8.676 -8.012 -11.758 536 3HD1 LEU 103 HD13 LEU 103 -7.092 -7.226 -11.673 537 1HD2 LEU 103 HD21 LEU 103 -8.878 -10.473 -11.395 538 2HD2 LEU 103 HD22 LEU 103 -7.697 -10.779 -12.687 539 3HD2 LEU 103 HD23 LEU 103 -7.438 -11.452 -11.061 540 H PHE 104 H PHE 104 -4.568 -9.346 -7.661 541 HA PHE 104 HA PHE 104 -5.244 -8.018 -5.971 542 1HB PHE 104 HB2 PHE 104 -3.621 -6.458 -6.784 543 2HB PHE 104 HB3 PHE 104 -4.758 -5.784 -7.943 544 HD1 PHE 104 HD1 PHE 104 -6.451 -4.213 -7.347 545 HD2 PHE 104 HD2 PHE 104 -3.745 -5.819 -4.400 546 HE1 PHE 104 HE1 PHE 104 -6.705 -2.162 -6.004 547 HE2 PHE 104 HE2 PHE 104 -4.044 -3.762 -3.045 548 HZ PHE 104 HZ PHE 104 -5.518 -1.947 -3.828 549 H ARG 105 H ARG 105 -7.203 -9.223 -6.228 550 HA ARG 105 HA ARG 105 -9.551 -8.310 -7.556 551 1HB ARG 105 HB2 ARG 105 -9.148 -9.827 -4.945 552 2HB ARG 105 HB3 ARG 105 -10.721 -9.619 -5.737 553 1HG ARG 105 HG2 ARG 105 -9.998 -10.876 -7.680 554 2HG ARG 105 HG3 ARG 105 -8.331 -10.882 -7.120 555 1HD ARG 105 HD2 ARG 105 -9.199 -13.075 -6.671 556 2HD ARG 105 HD3 ARG 105 -8.857 -12.238 -5.177 557 HE ARG 105 HE ARG 105 -11.045 -12.354 -4.568 558 1HH1 ARG 105 HH22 ARG 105 -10.844 -12.845 -8.035 559 2HH1 ARG 105 HH21 ARG 105 -12.480 -13.398 -8.244 560 1HH2 ARG 105 HH11 ARG 105 -13.231 -13.079 -4.764 561 2HH2 ARG 105 HH12 ARG 105 -13.880 -13.513 -6.312 562 H GLU 106 H GLU 106 -10.477 -6.314 -7.306 563 HA GLU 106 HA GLU 106 -9.751 -4.638 -5.129 564 1HB GLU 106 HB2 GLU 106 -11.946 -4.180 -7.196 565 2HB GLU 106 HB3 GLU 106 -11.056 -2.980 -6.251 566 1HG GLU 106 HG2 GLU 106 -9.929 -2.791 -8.204 567 2HG GLU 106 HG3 GLU 106 -8.926 -4.033 -7.447 568 H GLY 107 H GLY 107 -11.488 -3.306 -3.944 569 1HA GLY 107 HA1 GLY 107 -13.246 -3.137 -2.500 570 2HA GLY 107 HA2 GLY 107 -14.100 -4.308 -3.516 571 H GLN 108 H GLN 108 -11.127 -4.603 -1.493 572 HA GLN 108 HA GLN 108 -12.462 -6.131 0.576 573 1HB GLN 108 HB2 GLN 108 -10.930 -8.066 0.364 574 2HB GLN 108 HB3 GLN 108 -11.932 -7.887 -1.080 575 1HG GLN 108 HG2 GLN 108 -10.012 -6.725 -2.225 576 2HG GLN 108 HG3 GLN 108 -9.029 -6.954 -0.775 577 1HE2 GLN 108 HE21 GLN 108 -11.235 -9.097 -2.670 578 2HE2 GLN 108 HE22 GLN 108 -10.056 -10.403 -2.764 579 H GLY 109 H GLY 109 -10.416 -6.797 2.111 580 1HA GLY 109 HA1 GLY 109 -8.669 -4.393 2.332 581 2HA GLY 109 HA2 GLY 109 -8.984 -5.547 3.606 582 H ILE 110 H ILE 110 -6.400 -4.655 2.377 583 HA ILE 110 HA ILE 110 -5.316 -7.369 2.118 584 HB ILE 110 HB ILE 110 -3.940 -6.984 0.237 585 1HG1 ILE 110 HG12 ILE 110 -5.220 -4.726 -1.065 586 2HG1 ILE 110 HG13 ILE 110 -4.594 -4.203 0.497 587 1HG2 ILE 110 HG21 ILE 110 -6.784 -6.463 -0.645 588 2HG2 ILE 110 HG22 ILE 110 -5.475 -7.185 -1.591 589 3HG2 ILE 110 HG23 ILE 110 -6.116 -8.046 -0.185 590 1HD1 ILE 110 HD11 ILE 110 -2.865 -3.966 -1.173 591 2HD1 ILE 110 HD12 ILE 110 -2.399 -5.275 -0.071 592 3HD1 ILE 110 HD13 ILE 110 -3.043 -5.673 -1.681 593 H VAL 111 H VAL 111 -2.899 -7.273 2.300 594 HA VAL 111 HA VAL 111 -1.968 -4.803 3.660 595 HB VAL 111 HB VAL 111 -0.500 -6.202 5.047 596 1HG1 VAL 111 HG11 VAL 111 -2.656 -5.297 5.912 597 2HG1 VAL 111 HG12 VAL 111 -3.471 -6.800 5.445 598 3HG1 VAL 111 HG13 VAL 111 -2.208 -6.815 6.694 599 1HG2 VAL 111 HG21 VAL 111 -0.490 -8.287 3.760 600 2HG2 VAL 111 HG22 VAL 111 -1.055 -8.603 5.408 601 3HG2 VAL 111 HG23 VAL 111 -2.222 -8.531 4.091 602 H ALA 112 H ALA 112 -0.150 -3.993 2.871 603 HA ALA 112 HA ALA 112 1.175 -5.400 0.584 604 1HB ALA 112 HB1 ALA 112 0.270 -2.512 0.682 605 2HB ALA 112 HB2 ALA 112 1.098 -3.324 -0.654 606 3HB ALA 112 HB3 ALA 112 -0.553 -3.803 -0.196 607 H GLN 113 H GLN 113 3.304 -5.614 0.950 608 HA GLN 113 HA GLN 113 4.671 -3.614 2.694 609 1HB GLN 113 HB2 GLN 113 4.534 -5.792 3.731 610 2HB GLN 113 HB3 GLN 113 5.005 -6.547 2.222 611 1HG GLN 113 HG2 GLN 113 7.274 -5.451 2.398 612 2HG GLN 113 HG3 GLN 113 6.801 -4.753 3.945 613 1HE2 GLN 113 HE21 GLN 113 5.632 -7.998 3.356 614 2HE2 GLN 113 HE22 GLN 113 7.125 -8.796 3.583 615 H GLY 114 H GLY 114 6.560 -2.814 2.079 616 1HA GLY 114 HA1 GLY 114 8.373 -3.796 0.314 617 2HA GLY 114 HA2 GLY 114 7.419 -2.713 -0.693 618 H VAL 115 H VAL 115 8.248 -0.643 -0.655 619 HA VAL 115 HA VAL 115 9.473 0.337 1.854 620 HB VAL 115 HB VAL 115 11.261 -0.799 0.585 621 1HG1 VAL 115 HG11 VAL 115 10.731 1.197 -1.661 622 2HG1 VAL 115 HG12 VAL 115 12.025 -0.010 -1.595 623 3HG1 VAL 115 HG13 VAL 115 10.343 -0.537 -1.725 624 1HG2 VAL 115 HG21 VAL 115 12.899 1.003 0.456 625 2HG2 VAL 115 HG22 VAL 115 11.611 2.215 0.546 626 3HG2 VAL 115 HG23 VAL 115 11.909 1.112 1.911 627 H LEU 116 H LEU 116 9.481 2.543 2.073 628 HA LEU 116 HA LEU 116 7.566 4.069 0.538 629 1HB LEU 116 HB2 LEU 116 9.777 4.692 2.547 630 2HB LEU 116 HB3 LEU 116 8.959 5.986 1.660 631 HG LEU 116 HG LEU 116 8.069 5.445 3.986 632 1HD1 LEU 116 HD11 LEU 116 5.749 5.846 3.192 633 2HD1 LEU 116 HD12 LEU 116 6.296 5.525 1.530 634 3HD1 LEU 116 HD13 LEU 116 6.967 6.900 2.422 635 1HD2 LEU 116 HD21 LEU 116 7.874 2.982 3.830 636 2HD2 LEU 116 HD22 LEU 116 6.307 3.762 4.104 637 3HD2 LEU 116 HD23 LEU 116 6.695 3.145 2.500 638 H GLY 117 H GLY 117 7.827 4.716 -1.548 639 1HA GLY 117 HA1 GLY 117 10.598 4.627 -2.676 640 2HA GLY 117 HA2 GLY 117 9.075 4.505 -3.562 641 H GLU 118 H GLU 118 8.028 6.369 -4.215 642 HA GLU 118 HA GLU 118 9.643 8.798 -4.176 643 1HB GLU 118 HB2 GLU 118 8.437 7.982 -6.210 644 2HB GLU 118 HB3 GLU 118 6.902 8.350 -5.400 645 1HG GLU 118 HG2 GLU 118 7.751 10.723 -5.079 646 2HG GLU 118 HG3 GLU 118 9.172 10.283 -6.018 647 H ASP 119 H ASP 119 9.548 8.902 -1.862 648 HA ASP 119 HA ASP 119 8.568 9.595 0.160 649 1HB ASP 119 HB2 ASP 119 10.352 11.055 -0.868 650 2HB ASP 119 HB3 ASP 119 9.071 12.092 -1.515 651 H GLY 120 H GLY 120 6.463 8.717 -0.308 652 1HA GLY 120 HA1 GLY 120 4.192 10.037 0.476 653 2HA GLY 120 HA2 GLY 120 4.346 10.534 -1.212 654 H LYS 121 H LYS 121 5.232 8.492 -2.603 655 HA LYS 121 HA LYS 121 2.993 6.565 -2.471 656 1HB LYS 121 HB2 LYS 121 4.980 7.374 -4.576 657 2HB LYS 121 HB3 LYS 121 4.458 5.701 -4.573 658 1HG LYS 121 HG2 LYS 121 2.983 6.833 -6.041 659 2HG LYS 121 HG3 LYS 121 2.126 6.297 -4.616 660 1HD LYS 121 HD2 LYS 121 1.373 8.554 -5.280 661 2HD LYS 121 HD3 LYS 121 2.100 8.565 -3.676 662 1HE LYS 121 HE2 LYS 121 2.827 10.521 -5.014 663 2HE LYS 121 HE3 LYS 121 4.169 9.488 -4.535 664 1HZ LYS 121 HZ1 LYS 121 2.975 9.603 -7.226 665 2HZ LYS 121 HZ2 LYS 121 4.139 8.525 -6.748 666 3HZ LYS 121 HZ3 LYS 121 4.482 10.086 -6.753 667 H LEU 122 H LEU 122 3.151 4.411 -2.161 668 HA LEU 122 HA LEU 122 5.592 3.435 -0.759 669 1HB LEU 122 HB2 LEU 122 2.981 1.998 -1.090 670 2HB LEU 122 HB3 LEU 122 4.288 1.710 0.063 671 HG LEU 122 HG LEU 122 2.269 3.990 -0.001 672 1HD1 LEU 122 HD11 LEU 122 1.557 3.029 2.073 673 2HD1 LEU 122 HD12 LEU 122 2.994 1.969 2.137 674 3HD1 LEU 122 HD13 LEU 122 1.733 1.696 0.918 675 1HD2 LEU 122 HD21 LEU 122 4.671 3.754 1.822 676 2HD2 LEU 122 HD22 LEU 122 4.329 5.068 0.663 677 3HD2 LEU 122 HD23 LEU 122 3.298 4.850 2.072 678 H ALA 123 H ALA 123 7.030 2.188 -2.017 679 HA ALA 123 HA ALA 123 6.034 1.040 -4.586 680 1HB ALA 123 HB1 ALA 123 8.419 0.431 -4.916 681 2HB ALA 123 HB2 ALA 123 8.209 2.180 -4.694 682 3HB ALA 123 HB3 ALA 123 8.833 1.185 -3.361 683 H ALA 124 H ALA 124 4.744 -0.646 -3.945 684 HA ALA 124 HA ALA 124 5.640 -2.430 -1.732 685 1HB ALA 124 HB1 ALA 124 2.908 -2.105 -2.951 686 2HB ALA 124 HB2 ALA 124 3.362 -3.159 -1.590 687 3HB ALA 124 HB3 ALA 124 3.488 -1.396 -1.414 688 H THR 125 H THR 125 5.545 -4.660 -2.023 689 HA THR 125 HA THR 125 4.990 -5.753 -4.677 690 HB THR 125 HB THR 125 7.253 -5.129 -5.032 691 HG1 THR 125 HG1 THR 125 6.407 -7.063 -5.936 692 1HG2 THR 125 HG21 THR 125 8.119 -5.260 -2.685 693 2HG2 THR 125 HG22 THR 125 8.008 -7.036 -2.774 694 3HG2 THR 125 HG23 THR 125 9.107 -6.161 -3.850 695 H GLU 126 H GLU 126 5.876 -6.396 -1.234 696 HA GLU 126 HA GLU 126 4.961 -9.197 -1.458 697 1HB GLU 126 HB2 GLU 126 6.128 -7.436 0.715 698 2HB GLU 126 HB3 GLU 126 5.465 -9.050 1.052 699 1HG GLU 126 HG2 GLU 126 7.175 -10.053 -0.372 700 2HG GLU 126 HG3 GLU 126 7.743 -8.457 -0.883 701 H VAL 127 H VAL 127 2.854 -8.378 -2.322 702 HA VAL 127 HA VAL 127 1.038 -7.323 -0.216 703 HB VAL 127 HB VAL 127 -0.746 -7.368 -1.844 704 1HG1 VAL 127 HG11 VAL 127 0.268 -5.310 -1.645 705 2HG1 VAL 127 HG12 VAL 127 1.747 -5.771 -2.489 706 3HG1 VAL 127 HG13 VAL 127 0.221 -5.555 -3.387 707 1HG2 VAL 127 HG21 VAL 127 -0.166 -9.142 -3.327 708 2HG2 VAL 127 HG22 VAL 127 -0.236 -7.659 -4.265 709 3HG2 VAL 127 HG23 VAL 127 1.341 -8.361 -3.833 710 H LEU 128 H LEU 128 -0.196 -8.571 1.009 711 HA LEU 128 HA LEU 128 -0.482 -11.468 0.263 712 1HB LEU 128 HB2 LEU 128 -0.511 -10.398 3.095 713 2HB LEU 128 HB3 LEU 128 -0.605 -12.052 2.542 714 HG LEU 128 HG LEU 128 1.502 -11.774 3.482 715 1HD1 LEU 128 HD11 LEU 128 1.465 -13.068 1.359 716 2HD1 LEU 128 HD12 LEU 128 2.016 -11.620 0.491 717 3HD1 LEU 128 HD13 LEU 128 3.046 -12.352 1.726 718 1HD2 LEU 128 HD21 LEU 128 3.152 -10.115 2.987 719 2HD2 LEU 128 HD22 LEU 128 2.165 -9.394 1.719 720 3HD2 LEU 128 HD23 LEU 128 1.645 -9.284 3.406 721 H ALA 129 H ALA 129 -2.507 -11.594 -0.546 722 HA ALA 129 HA ALA 129 -4.714 -9.921 0.449 723 1HB ALA 129 HB1 ALA 129 -4.658 -10.624 -1.908 724 2HB ALA 129 HB2 ALA 129 -4.692 -12.331 -1.416 725 3HB ALA 129 HB3 ALA 129 -6.079 -11.276 -1.073 726 H LYS 130 H LYS 130 -3.764 -10.808 2.715 727 HA LYS 130 HA LYS 130 -4.615 -13.483 3.391 728 1HB LYS 130 HB2 LYS 130 -4.024 -13.106 5.592 729 2HB LYS 130 HB3 LYS 130 -2.793 -12.357 4.573 730 1HG LYS 130 HG2 LYS 130 -3.768 -10.115 5.066 731 2HG LYS 130 HG3 LYS 130 -5.020 -10.892 6.063 732 1HD LYS 130 HD2 LYS 130 -3.206 -11.941 7.455 733 2HD LYS 130 HD3 LYS 130 -2.005 -11.015 6.533 734 1HE LYS 130 HE2 LYS 130 -3.082 -8.894 7.295 735 2HE LYS 130 HE3 LYS 130 -4.294 -9.825 8.187 736 1HZ LYS 130 HZ1 LYS 130 -2.555 -9.069 9.625 737 2HZ LYS 130 HZ2 LYS 130 -2.525 -10.709 9.552 738 3HZ LYS 130 HZ3 LYS 130 -1.396 -9.822 8.741 739 H HIS 131 H HIS 131 -6.244 -10.414 3.240 740 HA HIS 131 HA HIS 131 -8.758 -11.458 4.417 741 1HB HIS 131 HB2 HIS 131 -7.683 -8.859 3.648 742 2HB HIS 131 HB3 HIS 131 -9.223 -9.108 2.843 743 HD1 HIS 131 HD1 HIS 131 -11.158 -10.231 5.011 744 HD2 HIS 131 HD2 HIS 131 -8.235 -7.201 5.479 745 HE1 HIS 131 HE1 HIS 131 -11.988 -8.683 6.792
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