NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
498224 | 2l65 | 6726 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASN 1 H1 ASN 1 -0.769 15.738 -8.874 2 H2 ASN 1 H2 ASN 1 0.410 14.696 -9.488 3 H3 ASN 1 H3 ASN 1 0.870 16.077 -8.634 4 HD21 ASN 1 HD21 ASN 1 -0.968 10.812 -7.576 5 HD22 ASN 1 HD22 ASN 1 -0.259 10.425 -9.105 6 H TYR 2 H TYR 2 0.882 13.369 -5.328 7 HH TYR 2 HH TYR 2 7.099 13.513 -10.663 8 H ASP 3 H ASP 3 3.866 14.776 -6.855 9 H PHE 5 H PHE 5 1.985 16.988 -4.933 10 H VAL 6 H VAL 6 0.279 15.536 -1.490 11 H ARG 7 H ARG 7 -2.152 13.054 -4.115 12 HE ARG 7 HE ARG 7 -6.247 16.738 -0.478 13 HH11 ARG 7 HH11 ARG 7 -7.412 18.201 -3.427 14 HH12 ARG 7 HH12 ARG 7 -8.601 19.179 -2.628 15 HH21 ARG 7 HH21 ARG 7 -7.833 17.985 0.594 16 HH22 ARG 7 HH22 ARG 7 -8.850 19.051 -0.336 17 H HIS 8 H HIS 8 -5.085 10.909 -2.729 18 HD1 HIS 8 HD1 HIS 8 -3.817 7.271 -6.772 19 H SER 9 H SER 9 -7.564 9.289 -5.953 20 HG SER 9 HG SER 9 -10.562 11.759 -4.405 21 H VAL 10 H VAL 10 -10.235 6.878 -3.561 22 H THR 11 H THR 11 -12.218 4.319 -6.567 23 HG1 THR 11 HG1 THR 11 -14.057 6.250 -8.008 24 H VAL 12 H VAL 12 -15.465 3.206 -3.804 25 H LYS 13 H LYS 13 -16.457 -0.676 -5.523 26 HZ1 LYS 13 HZ1 LYS 13 -20.204 -1.213 -11.287 27 HZ2 LYS 13 HZ2 LYS 13 -21.037 -1.349 -9.826 28 HZ3 LYS 13 HZ3 LYS 13 -19.377 -1.703 -9.897 29 H ALA 14 H ALA 14 -17.879 -0.877 -3.047 30 H ASP 15 H ASP 15 -18.741 -3.369 0.152 31 H ARG 16 H ARG 16 -19.202 -0.688 3.695 32 HE ARG 16 HE ARG 16 -16.625 2.985 7.970 33 HH11 ARG 16 HH11 ARG 16 -17.205 0.343 10.191 34 HH12 ARG 16 HH12 ARG 16 -16.827 1.278 11.604 35 HH21 ARG 16 HH21 ARG 16 -16.148 4.241 9.832 36 HH22 ARG 16 HH22 ARG 16 -16.217 3.473 11.403 37 H LYS 17 H LYS 17 -18.068 -2.802 4.983 38 HZ1 LYS 17 HZ1 LYS 17 -21.889 -4.622 10.053 39 HZ2 LYS 17 HZ2 LYS 17 -20.825 -5.875 10.448 40 HZ3 LYS 17 HZ3 LYS 17 -21.509 -5.803 8.904 41 H THR 18 H THR 18 -17.205 -4.604 3.285 42 HG1 THR 18 HG1 THR 18 -18.144 -4.866 1.698 43 H ALA 19 H ALA 19 -15.220 -3.192 2.107 44 H PHE 20 H PHE 20 -13.409 -2.922 3.932 45 H LYS 21 H LYS 21 -12.652 -5.259 4.560 46 HZ1 LYS 21 HZ1 LYS 21 -11.249 -12.801 6.494 47 HZ2 LYS 21 HZ2 LYS 21 -10.920 -11.204 6.948 48 HZ3 LYS 21 HZ3 LYS 21 -10.860 -11.656 5.311 49 H THR 22 H THR 22 -11.246 -6.039 2.422 50 HG1 THR 22 HG1 THR 22 -11.992 -5.709 0.514 51 H PHE 23 H PHE 23 -8.904 -5.213 3.004 52 H LEU 24 H LEU 24 -7.809 -5.281 4.795 53 H GLU 25 H GLU 25 -7.131 -7.522 4.734 54 H GLY 26 H GLY 26 -8.055 -9.201 3.617 55 H PHE 27 H PHE 27 -4.924 -11.728 2.527 56 H GLU 29 H GLU 29 -5.155 -12.463 -1.100 57 H TRP 30 H TRP 30 -4.724 -11.951 -3.268 58 HE1 TRP 30 HE1 TRP 30 -6.090 -7.730 -0.839 59 H TRP 31 H TRP 31 -4.180 -9.917 -6.929 60 HE1 TRP 31 HE1 TRP 31 -4.887 -15.549 -11.757 61 H ASN 33 H ASN 33 -0.883 -8.491 -8.576 62 HD21 ASN 33 HD21 ASN 33 3.758 -6.169 -9.855 63 HD22 ASN 33 HD22 ASN 33 4.716 -6.967 -11.053 64 H ASN 34 H ASN 34 -0.265 -10.691 -8.419 65 HD21 ASN 34 HD21 ASN 34 -1.355 -12.972 -5.309 66 HD22 ASN 34 HD22 ASN 34 -2.841 -12.217 -5.763 67 H PHE 35 H PHE 35 1.871 -12.582 -9.034 68 H ARG 36 H ARG 36 1.704 -15.070 -6.494 69 HE ARG 36 HE ARG 36 6.644 -19.036 -7.458 70 HH11 ARG 36 HH11 ARG 36 8.193 -16.355 -9.097 71 HH12 ARG 36 HH12 ARG 36 9.567 -17.295 -9.597 72 HH21 ARG 36 HH21 ARG 36 8.452 -20.268 -8.111 73 HH22 ARG 36 HH22 ARG 36 9.728 -19.508 -9.007 74 H THR 37 H THR 37 4.418 -17.666 -4.339 75 HG1 THR 37 HG1 THR 37 3.598 -20.277 -3.029 76 H THR 38 H THR 38 3.581 -16.969 -0.082 77 HG1 THR 38 HG1 THR 38 5.649 -19.695 -0.844 78 H LYS 39 H LYS 39 6.996 -16.407 -1.546 79 HZ1 LYS 39 HZ1 LYS 39 13.316 -14.549 -2.105 80 HZ2 LYS 39 HZ2 LYS 39 14.260 -15.500 -1.077 81 HZ3 LYS 39 HZ3 LYS 39 13.348 -14.226 -0.440 82 H VAL 40 H VAL 40 5.694 -14.306 -2.078 83 H GLY 41 H GLY 41 3.275 -11.523 -0.454 84 H ALA 42 H ALA 42 2.301 -12.611 1.445 85 H LEU 44 H LEU 44 -0.358 -13.093 4.654 86 H GLY 45 H GLY 45 1.578 -11.151 6.225 87 H VAL 46 H VAL 46 -0.896 -8.605 6.423 88 H ASP 47 H ASP 47 0.401 -5.699 9.599 89 H LYS 48 H LYS 48 -2.212 -7.461 12.440 90 HZ1 LYS 48 HZ1 LYS 48 -7.935 -8.981 10.819 91 HZ2 LYS 48 HZ2 LYS 48 -7.865 -7.651 11.873 92 HZ3 LYS 48 HZ3 LYS 48 -7.064 -9.080 12.272 93 H LYS 49 H LYS 49 -1.052 -6.436 14.523 94 HZ1 LYS 49 HZ1 LYS 49 0.759 -12.553 16.489 95 HZ2 LYS 49 HZ2 LYS 49 1.489 -12.137 15.021 96 HZ3 LYS 49 HZ3 LYS 49 0.196 -13.230 15.041 97 H GLY 50 H GLY 50 0.643 -5.394 15.753 98 H GLY 51 H GLY 51 0.847 -3.861 14.440 99 H ARG 52 H ARG 52 1.377 -3.604 11.976 100 HE ARG 52 HE ARG 52 4.838 -6.554 14.031 101 HH11 ARG 52 HH11 ARG 52 8.020 -5.103 13.809 102 HH12 ARG 52 HH12 ARG 52 8.828 -6.483 14.473 103 HH21 ARG 52 HH21 ARG 52 5.912 -8.357 14.922 104 HH22 ARG 52 HH22 ARG 52 7.641 -8.326 15.091 105 H TRP 53 H TRP 53 4.636 -3.393 9.058 106 HE1 TRP 53 HE1 TRP 53 1.114 -0.185 6.846 107 H TYR 54 H TYR 54 3.610 -7.271 7.287 108 HH TYR 54 HH TYR 54 11.680 -6.805 10.543 109 H GLU 55 H GLU 55 6.508 -9.216 5.364 110 H ILE 56 H ILE 56 4.512 -13.330 4.963 111 H ASP 57 H ASP 57 8.295 -15.138 5.748 112 H GLU 58 H GLU 58 9.382 -18.689 3.209 113 H GLN 59 H GLN 59 11.636 -18.178 4.774 114 HE21 GLN 59 HE21 GLN 59 13.298 -16.979 2.722 115 HE22 GLN 59 HE22 GLN 59 14.710 -16.883 1.709 116 H GLY 60 H GLY 60 10.889 -17.164 6.648 117 H GLU 61 H GLU 61 10.903 -13.397 9.040 118 H GLU 62 H GLU 62 9.307 -11.716 5.129 119 H HIS 63 H HIS 63 9.467 -9.838 2.542 120 HE2 HIS 63 HE2 HIS 63 5.846 -9.663 0.065 121 H THR 64 H THR 64 9.597 -5.314 2.916 122 HG1 THR 64 HG1 THR 64 6.954 -4.437 6.996 123 H PHE 65 H PHE 65 5.800 -3.613 4.085 124 H GLY 66 H GLY 66 5.655 -1.639 5.321 125 H LEU 67 H LEU 67 5.122 1.911 7.444 126 H ILE 68 H ILE 68 2.869 0.672 11.056 127 H ARG 69 H ARG 69 0.259 4.256 10.740 128 HE ARG 69 HE ARG 69 3.574 9.009 11.433 129 HH11 ARG 69 HH11 ARG 69 3.499 8.609 14.923 130 HH12 ARG 69 HH12 ARG 69 4.486 9.999 15.222 131 HH21 ARG 69 HH21 ARG 69 4.865 10.798 11.810 132 HH22 ARG 69 HH22 ARG 69 5.277 11.255 13.438 133 H LYS 70 H LYS 70 -1.771 4.793 12.135 134 HZ1 LYS 70 HZ1 LYS 70 -4.847 9.016 14.706 135 HZ2 LYS 70 HZ2 LYS 70 -6.117 9.093 15.815 136 HZ3 LYS 70 HZ3 LYS 70 -5.767 7.628 15.037 137 H VAL 71 H VAL 71 -4.467 2.891 14.918 138 H ASP 72 H ASP 72 -7.251 4.057 12.786 139 H GLU 73 H GLU 73 -9.659 1.690 14.138 140 H ASP 75 H ASP 75 -11.680 3.255 10.036 141 H THR 76 H THR 76 -10.734 4.888 10.521 142 HG1 THR 76 HG1 THR 76 -11.175 7.917 10.135 143 H LEU 77 H LEU 77 -7.508 6.292 8.096 144 H VAL 78 H VAL 78 -3.878 5.105 9.974 145 H ILE 79 H ILE 79 -1.040 6.290 6.971 146 H GLY 80 H GLY 80 2.708 3.888 7.143 147 H TRP 81 H TRP 81 4.869 5.821 3.972 148 HE1 TRP 81 HE1 TRP 81 3.867 0.425 -0.598 149 H ARG 82 H ARG 82 7.478 2.449 2.404 150 HE ARG 82 HE ARG 82 11.938 0.843 5.317 151 HH11 ARG 82 HH11 ARG 82 10.810 -1.998 3.597 152 HH12 ARG 82 HH12 ARG 82 12.329 -2.824 3.700 153 HH21 ARG 82 HH21 ARG 82 13.940 -0.241 5.462 154 HH22 ARG 82 HH22 ARG 82 14.112 -1.820 4.763 155 H LEU 83 H LEU 83 11.595 3.188 1.191 156 H ASN 84 H ASN 84 11.864 3.000 -3.217 157 HD21 ASN 84 HD21 ASN 84 11.401 -0.937 -4.502 158 HD22 ASN 84 HD22 ASN 84 12.446 -2.116 -5.215 159 H GLY 85 H GLY 85 15.205 0.543 -4.618 160 H PHE 86 H PHE 86 19.047 0.818 -5.310 161 H GLY 87 H GLY 87 21.953 0.091 -5.116 162 H ARG 88 H ARG 88 21.665 0.981 -1.515 163 HE ARG 88 HE ARG 88 16.641 2.562 -1.273 164 HH11 ARG 88 HH11 ARG 88 19.234 1.287 0.720 165 HH12 ARG 88 HH12 ARG 88 18.338 -0.114 1.213 166 HH21 ARG 88 HH21 ARG 88 15.451 0.731 -0.593 167 HH22 ARG 88 HH22 ARG 88 16.184 -0.427 0.468 168 H ILE 89 H ILE 89 22.361 4.546 0.888 169 H ASP 90 H ASP 90 20.448 2.290 4.442 170 H ASP 92 H ASP 92 16.818 6.574 5.710 171 H ASN 93 H ASN 93 13.182 7.008 6.518 172 HD21 ASN 93 HD21 ASN 93 10.680 10.751 5.201 173 HD22 ASN 93 HD22 ASN 93 10.844 12.440 5.526 174 H SER 94 H SER 94 11.653 8.019 4.696 175 HG SER 94 HG SER 94 9.597 4.745 5.254 176 H SER 95 H SER 95 7.392 7.484 3.724 177 HG SER 95 HG SER 95 7.383 10.655 1.147 178 H GLU 96 H GLU 96 4.834 10.746 5.212 179 H PHE 97 H PHE 97 0.959 8.387 5.725 180 H THR 98 H THR 98 -2.363 10.768 4.353 181 HG1 THR 98 HG1 THR 98 -2.584 12.503 6.103 182 H VAL 99 H VAL 99 -5.136 7.905 6.170 183 H THR 100 H THR 100 -8.556 8.718 3.584 184 HG1 THR 100 HG1 THR 100 -9.396 11.054 3.476 185 H PHE 101 H PHE 101 -11.912 7.210 6.022 186 H VAL 102 H VAL 102 -14.590 6.802 2.538 187 H ALA 103 H ALA 103 -18.544 7.104 4.324 188 H ASP 104 H ASP 104 -20.646 5.071 0.928 189 H GLY 105 H GLY 105 -24.305 6.436 1.915 190 H GLN 106 H GLN 106 -23.501 3.968 2.375 191 HE21 GLN 106 HE21 GLN 106 -24.675 -1.961 3.978 192 HE22 GLN 106 HE22 GLN 106 -25.876 -2.404 5.140 193 H LYS 107 H LYS 107 -24.407 2.001 0.271 194 HZ1 LYS 107 HZ1 LYS 107 -28.945 1.323 -4.391 195 HZ2 LYS 107 HZ2 LYS 107 -28.872 2.938 -4.880 196 HZ3 LYS 107 HZ3 LYS 107 -29.314 2.558 -3.294 197 H LYS 108 H LYS 108 -22.399 2.399 -0.556 198 HZ1 LYS 108 HZ1 LYS 108 -23.324 5.190 -7.572 199 HZ2 LYS 108 HZ2 LYS 108 -24.416 5.728 -6.405 200 HZ3 LYS 108 HZ3 LYS 108 -24.914 4.615 -7.571 201 H THR 109 H THR 109 -18.395 2.604 -2.293 202 HG1 THR 109 HG1 THR 109 -18.283 1.165 -0.452 203 H ARG 110 H ARG 110 -16.351 5.563 0.244 204 HE ARG 110 HE ARG 110 -14.968 7.343 -5.902 205 HH11 ARG 110 HH11 ARG 110 -16.816 9.971 -4.476 206 HH12 ARG 110 HH12 ARG 110 -16.471 11.072 -5.771 207 HH21 ARG 110 HH21 ARG 110 -14.551 8.785 -7.600 208 HH22 ARG 110 HH22 ARG 110 -15.197 10.393 -7.549 209 H VAL 111 H VAL 111 -12.579 6.264 -1.801 210 H ASP 112 H ASP 112 -10.407 8.562 1.114 211 H VAL 113 H VAL 113 -6.880 10.388 -0.913 212 H GLU 114 H GLU 114 -4.992 11.601 2.833 213 H HIS 115 H HIS 115 -2.713 15.195 1.840 214 HE2 HIS 115 HE2 HIS 115 1.746 13.533 7.422 215 H THR 116 H THR 116 0.470 16.515 4.368 216 HG1 THR 116 HG1 THR 116 -0.825 18.206 1.704 217 H HIS 117 H HIS 117 3.479 17.001 2.716 218 HD1 HIS 117 HD1 HIS 117 4.485 17.062 8.641 219 H PHE 118 H PHE 118 4.705 15.093 3.959 220 H ASP 119 H ASP 119 5.023 15.739 1.573 221 H ARG 120 H ARG 120 5.478 17.281 0.090 222 HE ARG 120 HE ARG 120 2.480 20.678 -2.094 223 HH11 ARG 120 HH11 ARG 120 3.316 22.887 0.487 224 HH12 ARG 120 HH12 ARG 120 1.847 23.802 0.358 225 HH21 ARG 120 HH21 ARG 120 0.532 21.889 -2.263 226 HH22 ARG 120 HH22 ARG 120 0.259 23.236 -1.207 227 H MET 121 H MET 121 8.164 16.074 -1.590 228 H GLY 122 H GLY 122 9.045 15.814 -3.234 229 H THR 123 H THR 123 10.016 15.324 -6.384 230 HG1 THR 123 HG1 THR 123 10.888 17.370 -6.022 231 H LYS 124 H LYS 124 14.224 15.203 -6.153 232 HZ1 LYS 124 HZ1 LYS 124 18.660 15.182 -1.184 233 HZ2 LYS 124 HZ2 LYS 124 19.524 15.287 -2.629 234 HZ3 LYS 124 HZ3 LYS 124 19.057 13.779 -2.038 235 H HIS 125 H HIS 125 13.733 13.111 -4.986 236 HD1 HIS 125 HD1 HIS 125 13.076 13.571 -1.554 237 H ALA 126 H ALA 126 11.908 12.188 -6.381 238 H LYS 127 H LYS 127 12.386 10.964 -8.914 239 HZ1 LYS 127 HZ1 LYS 127 14.821 12.231 -15.168 240 HZ2 LYS 127 HZ2 LYS 127 15.370 13.373 -14.051 241 HZ3 LYS 127 HZ3 LYS 127 14.120 13.773 -15.114 242 H ARG 128 H ARG 128 13.715 9.043 -7.684 243 HE ARG 128 HE ARG 128 16.691 7.612 -3.915 244 HH11 ARG 128 HH11 ARG 128 18.529 10.572 -4.077 245 HH12 ARG 128 HH12 ARG 128 19.319 10.334 -2.550 246 HH21 ARG 128 HH21 ARG 128 17.724 7.287 -1.873 247 HH22 ARG 128 HH22 ARG 128 18.868 8.460 -1.305 248 H VAL 129 H VAL 129 12.000 7.433 -6.304 249 H ARG 130 H ARG 130 10.558 6.671 -8.104 250 HE ARG 130 HE ARG 130 5.862 6.847 -10.974 251 HH11 ARG 130 HH11 ARG 130 7.360 9.366 -12.897 252 HH12 ARG 130 HH12 ARG 130 6.431 8.994 -14.314 253 HH21 ARG 130 HH21 ARG 130 4.681 6.349 -12.796 254 HH22 ARG 130 HH22 ARG 130 4.898 7.264 -14.258 255 H ASN 131 H ASN 131 11.710 4.469 -8.881 256 HD21 ASN 131 HD21 ASN 131 13.802 5.656 -11.029 257 HD22 ASN 131 HD22 ASN 131 14.703 5.407 -12.485 258 H GLY 132 H GLY 132 10.459 2.344 -8.572 259 H MET 133 H MET 133 9.265 1.845 -6.791 260 H ASP 134 H ASP 134 7.478 2.740 -8.591 261 H LYS 135 H LYS 135 7.027 0.547 -10.003 262 HZ1 LYS 135 HZ1 LYS 135 12.393 -1.510 -13.149 263 HZ2 LYS 135 HZ2 LYS 135 12.428 -0.510 -14.510 264 HZ3 LYS 135 HZ3 LYS 135 11.478 -1.907 -14.512 265 H GLY 136 H GLY 136 3.931 -0.166 -10.125 266 H TRP 137 H TRP 137 3.459 0.176 -8.110 267 HE1 TRP 137 HE1 TRP 137 0.431 2.631 -2.406 268 H THR 139 H THR 139 0.310 0.472 -10.603 269 HG1 THR 139 HG1 THR 139 1.419 -0.719 -12.946 270 H ILE 140 H ILE 140 -0.844 -1.372 -9.082 271 H LEU 141 H LEU 141 -2.741 0.039 -8.077 272 H GLN 142 H GLN 142 -4.668 0.547 -9.954 273 HE21 GLN 142 HE21 GLN 142 -7.003 3.006 -14.064 274 HE22 GLN 142 HE22 GLN 142 -5.866 3.085 -15.361 275 H SER 143 H SER 143 -5.469 -1.862 -10.447 276 HG SER 143 HG SER 143 -4.309 -3.274 -11.510 277 H PHE 144 H PHE 144 -6.572 -2.550 -8.167 278 H GLN 145 H GLN 145 -8.980 -1.239 -8.008 279 HE21 GLN 145 HE21 GLN 145 -10.428 2.453 -8.568 280 HE22 GLN 145 HE22 GLN 145 -11.045 3.784 -9.484 281 H ASP 146 H ASP 146 -10.508 -2.393 -10.034 282 H LYS 147 H LYS 147 -10.594 -4.819 -9.054 283 HZ1 LYS 147 HZ1 LYS 147 -9.414 -11.370 -4.704 284 HZ2 LYS 147 HZ2 LYS 147 -9.352 -10.773 -6.288 285 HZ3 LYS 147 HZ3 LYS 147 -10.721 -10.492 -5.333 286 H ILE 148 H ILE 148 -11.985 -4.868 -6.624 287 H ASP 149 H ASP 149 -14.170 -4.066 -7.715 288 H GLU 150 H GLU 150 -15.078 -6.161 -9.109 289 H GLU 151 H GLU 151 -15.554 -7.953 -7.289 290 H GLY 152 H GLY 152 -18.514 -7.588 -7.029 291 H ALA 153 H ALA 153 -19.586 -5.510 -7.441 292 H LYS 154 H LYS 154 -19.545 -5.929 -9.749 293 HZ1 LYS 154 HZ1 LYS 154 -14.665 -7.343 -13.310 294 HZ2 LYS 154 HZ2 LYS 154 -14.384 -5.666 -13.358 295 HZ3 LYS 154 HZ3 LYS 154 -14.566 -6.535 -14.794 296 H LYS 155 H LYS 155 -19.881 -8.679 -9.588 297 HZ1 LYS 155 HZ1 LYS 155 -15.762 -14.143 -11.509 298 HZ2 LYS 155 HZ2 LYS 155 -15.329 -12.735 -12.352 299 HZ3 LYS 155 HZ3 LYS 155 -15.692 -14.163 -13.196 300 HO3 DAG 621 HO3 DAG 621 20.813 -8.367 1.912 301 HO3 DSR 625 HO3 DSR 625 16.961 -2.970 -2.460 302 HO2 MRP 627 HO2 MRP 627 4.347 -1.342 -5.620 303 HO4 MRP 627 HO4 MRP 627 3.231 -5.580 -4.627 304 HN4 EMP 628 HN4 EMP 628 25.702 -12.605 -0.808 305 HAA EMP 628 HAA EMP 628 25.488 -11.208 -1.613 306 HO8 MTC 629 HO8 MTC 629 26.344 -2.030 -0.922 307 H11 MTC 629 H11 MTC 629 27.318 -7.852 -3.584 Start of MODEL 2 1 H1 ASN 1 H1 ASN 156 -0.360 15.658 -8.149 2 H2 ASN 1 H2 ASN 156 0.879 14.984 -9.085 3 H3 ASN 1 H3 ASN 156 1.248 16.098 -7.878 4 HD21 ASN 1 HD21 ASN 156 -0.486 10.693 -8.534 5 HD22 ASN 1 HD22 ASN 156 0.229 10.833 -10.104 6 H TYR 2 H1 TYR 157 1.823 13.136 -5.161 7 HH TYR 2 HH TYR 157 5.159 10.440 -11.918 8 H ASP 3 H1 ASP 158 3.758 15.328 -5.305 9 H PHE 5 H1 PHE 160 1.952 17.416 -4.960 10 H VAL 6 H1 VAL 161 0.092 15.901 -1.610 11 H ARG 7 H1 ARG 162 -2.347 13.219 -4.202 12 HE ARG 7 HE ARG 162 -7.348 16.433 -1.683 13 HH11 ARG 7 HH11 ARG 162 -9.261 16.632 -4.596 14 HH12 ARG 7 HH12 ARG 162 -10.754 16.881 -3.749 15 HH21 ARG 7 HH21 ARG 162 -9.301 16.702 -0.561 16 HH22 ARG 7 HH22 ARG 162 -10.781 16.917 -1.446 17 H HIS 8 H1 HIS 163 -5.194 11.222 -2.726 18 HD1 HIS 8 HD1 HIS 163 -3.779 8.919 -7.136 19 H SER 9 H1 SER 164 -7.651 9.045 -5.705 20 HG SER 9 HG SER 164 -9.253 10.784 -3.163 21 H VAL 10 H1 VAL 165 -10.272 6.592 -3.405 22 H THR 11 H1 THR 166 -12.519 4.597 -6.574 23 HG1 THR 11 HG1 THR 166 -13.984 6.922 -5.595 24 H VAL 12 H1 VAL 167 -15.503 2.750 -4.118 25 H LYS 13 H1 LYS 168 -17.609 -0.357 -6.378 26 HZ1 LYS 13 HZ1 LYS 168 -18.395 -0.531 -9.852 27 HZ2 LYS 13 HZ2 LYS 168 -17.956 1.085 -9.621 28 HZ3 LYS 13 HZ3 LYS 168 -18.255 0.507 -11.182 29 H ALA 14 H1 ALA 169 -18.224 -0.446 -2.976 30 H ASP 15 H1 ASP 170 -18.414 -3.274 0.210 31 H ARG 16 H1 ARG 171 -19.139 -0.754 3.849 32 HE ARG 16 HE ARG 171 -16.187 3.057 8.011 33 HH11 ARG 16 HH11 ARG 171 -17.790 0.895 10.244 34 HH12 ARG 16 HH12 ARG 171 -17.267 1.751 11.662 35 HH21 ARG 16 HH21 ARG 171 -15.480 4.192 9.877 36 HH22 ARG 16 HH22 ARG 171 -15.934 3.617 11.462 37 H LYS 17 H1 LYS 172 -17.923 -2.979 5.052 38 HZ1 LYS 17 HZ1 LYS 172 -20.068 -7.028 10.136 39 HZ2 LYS 17 HZ2 LYS 172 -21.208 -6.802 8.913 40 HZ3 LYS 17 HZ3 LYS 172 -21.336 -5.931 10.361 41 H THR 18 H1 THR 173 -17.076 -4.865 3.378 42 HG1 THR 18 HG1 THR 173 -17.968 -4.864 1.838 43 H ALA 19 H1 ALA 174 -15.126 -3.214 2.027 44 H PHE 20 H1 PHE 175 -13.285 -2.758 3.906 45 H LYS 21 H1 LYS 176 -12.417 -5.122 4.404 46 HZ1 LYS 21 HZ1 LYS 176 -13.179 -11.142 8.139 47 HZ2 LYS 21 HZ2 LYS 176 -11.511 -11.337 7.901 48 HZ3 LYS 21 HZ3 LYS 176 -12.570 -11.378 6.578 49 H THR 22 H1 THR 177 -10.954 -5.814 2.307 50 HG1 THR 22 HG1 THR 177 -11.812 -5.649 0.469 51 H PHE 23 H1 PHE 178 -8.587 -4.946 2.845 52 H LEU 24 H1 LEU 179 -7.552 -5.322 4.557 53 H GLU 25 H1 GLU 180 -6.729 -7.475 4.732 54 H GLY 26 H1 GLY 181 -7.759 -8.979 3.801 55 H PHE 27 H1 PHE 182 -5.024 -11.980 2.433 56 H GLU 29 H1 GLU 184 -5.403 -12.706 -0.982 57 H TRP 30 H1 TRP 185 -4.737 -12.256 -3.143 58 HE1 TRP 30 HE1 TRP 185 -5.833 -8.060 -0.702 59 H TRP 31 H1 TRP 186 -4.020 -10.105 -6.872 60 HE1 TRP 31 HE1 TRP 186 -4.312 -15.353 -12.128 61 H ASN 33 H1 ASN 188 -0.906 -8.720 -8.319 62 HD21 ASN 33 HD21 ASN 188 2.620 -5.381 -9.562 63 HD22 ASN 33 HD22 ASN 188 4.114 -5.860 -10.281 64 H ASN 34 H1 ASN 189 0.218 -9.681 -6.964 65 HD21 ASN 34 HD21 ASN 189 -0.355 -11.862 -3.001 66 HD22 ASN 34 HD22 ASN 189 -1.845 -11.056 -3.329 67 H PHE 35 H1 PHE 190 2.384 -13.060 -7.981 68 H ARG 36 H1 ARG 191 2.627 -14.617 -6.260 69 HE ARG 36 HE ARG 191 6.481 -18.412 -7.654 70 HH11 ARG 36 HH11 ARG 191 8.648 -15.960 -8.894 71 HH12 ARG 36 HH12 ARG 191 9.679 -17.096 -9.704 72 HH21 ARG 36 HH21 ARG 191 7.821 -19.912 -8.741 73 HH22 ARG 36 HH22 ARG 191 9.197 -19.348 -9.630 74 H THR 37 H1 THR 192 4.433 -17.581 -3.777 75 HG1 THR 37 HG1 THR 192 1.345 -18.523 -2.965 76 H THR 38 H1 THR 193 3.632 -16.222 0.315 77 HG1 THR 38 HG1 THR 193 8.207 -17.678 0.570 78 H LYS 39 H1 LYS 194 7.181 -16.149 -1.116 79 HZ1 LYS 39 HZ1 LYS 194 12.310 -19.722 -0.990 80 HZ2 LYS 39 HZ2 LYS 194 11.018 -19.562 -2.069 81 HZ3 LYS 39 HZ3 LYS 194 10.718 -19.693 -0.412 82 H VAL 40 H1 VAL 195 5.795 -14.176 -1.678 83 H GLY 41 H1 GLY 196 3.671 -11.888 -0.674 84 H ALA 42 H1 ALA 197 2.215 -12.491 1.305 85 H LEU 44 H1 LEU 199 0.366 -13.976 5.671 86 H GLY 45 H1 GLY 200 1.523 -11.261 6.458 87 H VAL 46 H1 VAL 201 -0.965 -8.816 6.568 88 H ASP 47 H1 ASP 202 0.413 -5.879 9.608 89 H LYS 48 H1 LYS 203 -2.168 -7.575 12.658 90 HZ1 LYS 48 HZ1 LYS 203 -8.292 -9.517 12.648 91 HZ2 LYS 48 HZ2 LYS 203 -7.804 -11.082 12.253 92 HZ3 LYS 48 HZ3 LYS 203 -8.042 -9.946 11.023 93 H LYS 49 H1 LYS 204 -1.294 -6.883 14.731 94 HZ1 LYS 49 HZ1 LYS 204 3.101 -11.217 17.005 95 HZ2 LYS 49 HZ2 LYS 204 3.776 -10.666 15.554 96 HZ3 LYS 49 HZ3 LYS 204 2.197 -11.269 15.575 97 H GLY 50 H1 GLY 205 -0.126 -5.188 15.445 98 H GLY 51 H1 GLY 206 1.182 -3.761 14.220 99 H ARG 52 H1 ARG 207 1.394 -3.571 11.664 100 HE ARG 52 HE ARG 207 3.469 -5.319 13.784 101 HH11 ARG 52 HH11 ARG 207 6.785 -5.547 14.860 102 HH12 ARG 52 HH12 ARG 207 6.366 -5.862 16.511 103 HH21 ARG 52 HH21 ARG 207 2.903 -5.769 15.925 104 HH22 ARG 52 HH22 ARG 207 4.140 -6.008 17.119 105 H TRP 53 H1 TRP 208 4.454 -3.246 8.554 106 HE1 TRP 53 HE1 TRP 208 0.794 -0.242 6.851 107 H TYR 54 H1 TYR 209 3.515 -7.264 6.966 108 HH TYR 54 HH TYR 209 12.132 -7.326 9.044 109 H GLU 55 H1 GLU 210 6.411 -9.111 4.921 110 H ILE 56 H1 ILE 211 4.428 -13.216 5.108 111 H ASP 57 H1 ASP 212 8.170 -15.426 5.972 112 H GLU 58 H1 GLU 213 8.998 -18.979 3.411 113 H GLN 59 H1 GLN 214 11.330 -18.521 4.497 114 HE21 GLN 59 HE21 GLN 214 12.493 -17.178 2.192 115 HE22 GLN 59 HE22 GLN 214 13.706 -16.524 1.133 116 H GLY 60 H1 GLY 215 10.805 -17.449 6.572 117 H GLU 61 H1 GLU 216 11.988 -13.894 7.727 118 H GLU 62 H1 GLU 217 9.103 -11.412 5.358 119 H HIS 63 H1 HIS 218 9.756 -9.654 1.732 120 HE2 HIS 63 HE2 HIS 218 5.913 -9.470 -0.486 121 H THR 64 H1 THR 219 9.382 -5.160 2.556 122 HG1 THR 64 HG1 THR 219 6.822 -4.147 6.637 123 H PHE 65 H1 PHE 220 5.470 -3.750 3.655 124 H GLY 66 H1 GLY 221 5.416 -1.794 4.985 125 H LEU 67 H1 LEU 222 4.768 1.744 7.198 126 H ILE 68 H1 ILE 223 2.673 0.337 10.830 127 H ARG 69 H1 ARG 224 0.660 4.205 10.840 128 HE ARG 69 HE ARG 224 2.728 8.933 11.782 129 HH11 ARG 69 HH11 ARG 224 0.526 10.483 14.055 130 HH12 ARG 69 HH12 ARG 224 0.635 12.038 13.298 131 HH21 ARG 69 HH21 ARG 224 2.888 10.985 10.798 132 HH22 ARG 69 HH22 ARG 224 1.980 12.331 11.448 133 H LYS 70 H1 LYS 225 -1.216 4.497 12.018 134 HZ1 LYS 70 HZ1 LYS 225 -5.124 8.470 16.893 135 HZ2 LYS 70 HZ2 LYS 225 -6.146 7.626 17.941 136 HZ3 LYS 70 HZ3 LYS 225 -6.183 7.294 16.281 137 H VAL 71 H1 VAL 226 -4.140 3.238 14.665 138 H ASP 72 H1 ASP 227 -7.477 3.905 12.644 139 H GLU 73 H1 GLU 228 -9.734 1.512 14.172 140 H ASP 75 H1 ASP 230 -11.603 3.566 10.228 141 H THR 76 H1 THR 231 -10.645 5.346 11.001 142 HG1 THR 76 HG1 THR 231 -10.943 7.859 11.262 143 H LEU 77 H1 LEU 232 -7.488 6.556 8.346 144 H VAL 78 H1 VAL 233 -3.915 5.101 10.038 145 H ILE 79 H1 ILE 234 -1.114 6.210 7.047 146 H GLY 80 H1 GLY 235 2.639 3.833 7.154 147 H TRP 81 H1 TRP 236 4.923 5.782 3.938 148 HE1 TRP 81 HE1 TRP 236 4.512 0.709 -1.172 149 H ARG 82 H1 ARG 237 7.271 2.414 2.017 150 HE ARG 82 HE ARG 237 11.569 -0.176 4.730 151 HH11 ARG 82 HH11 ARG 237 10.016 -2.131 2.260 152 HH12 ARG 82 HH12 ARG 237 11.503 -2.848 1.713 153 HH21 ARG 82 HH21 ARG 237 13.516 -1.104 4.023 154 HH22 ARG 82 HH22 ARG 237 13.503 -2.237 2.707 155 H LEU 83 H1 LEU 238 11.555 2.890 1.451 156 H ASN 84 H1 ASN 239 12.025 3.237 -2.929 157 HD21 ASN 84 HD21 ASN 239 10.633 -0.380 -4.478 158 HD22 ASN 84 HD22 ASN 239 11.401 -1.797 -5.100 159 H GLY 85 H1 GLY 240 14.965 0.362 -4.586 160 H PHE 86 H1 PHE 241 19.090 1.080 -5.369 161 H GLY 87 H1 GLY 242 21.907 0.405 -5.391 162 H ARG 88 H1 ARG 243 21.830 0.975 -1.530 163 HE ARG 88 HE ARG 243 16.315 2.741 -1.230 164 HH11 ARG 88 HH11 ARG 243 18.489 1.761 1.341 165 HH12 ARG 88 HH12 ARG 243 17.481 0.447 1.857 166 HH21 ARG 88 HH21 ARG 243 14.946 1.062 -0.474 167 HH22 ARG 88 HH22 ARG 243 15.471 0.062 0.842 168 H ILE 89 H1 ILE 244 21.655 4.684 0.786 169 H ASP 90 H1 ASP 245 21.101 3.450 5.057 170 H ASP 92 H1 ASP 247 16.851 5.939 5.354 171 H ASN 93 H1 ASN 248 13.128 7.141 6.639 172 HD21 ASN 93 HD21 ASN 248 13.143 11.526 3.938 173 HD22 ASN 93 HD22 ASN 248 11.659 12.075 3.233 174 H SER 94 H1 SER 249 11.048 7.191 5.114 175 HG SER 94 HG SER 249 10.670 6.717 8.811 176 H SER 95 H1 SER 250 7.911 7.474 3.991 177 HG SER 95 HG SER 250 8.670 9.490 2.705 178 H GLU 96 H1 GLU 251 5.067 10.202 5.701 179 H PHE 97 H1 PHE 252 0.998 8.149 5.556 180 H THR 98 H1 THR 253 -2.228 10.907 4.676 181 HG1 THR 98 HG1 THR 253 -3.011 12.626 7.663 182 H VAL 99 H1 VAL 254 -5.085 7.917 6.204 183 H THR 100 H1 THR 255 -8.522 8.921 3.650 184 HG1 THR 100 HG1 THR 255 -9.249 11.332 3.699 185 H PHE 101 H1 PHE 256 -11.940 7.542 6.129 186 H VAL 102 H1 VAL 257 -14.532 7.042 2.602 187 H ALA 103 H1 ALA 258 -18.469 7.277 4.261 188 H ASP 104 H1 ASP 259 -20.750 5.389 0.897 189 H GLY 105 H1 GLY 260 -24.617 6.634 1.826 190 H GLN 106 H1 GLN 261 -23.641 4.233 2.325 191 HE21 GLN 106 HE21 GLN 261 -24.485 0.469 6.806 192 HE22 GLN 106 HE22 GLN 261 -26.034 0.472 7.567 193 H LYS 107 H1 LYS 262 -24.037 2.329 0.275 194 HZ1 LYS 107 HZ1 LYS 262 -26.557 -1.749 -4.108 195 HZ2 LYS 107 HZ2 LYS 262 -27.198 -0.922 -5.439 196 HZ3 LYS 107 HZ3 LYS 262 -28.039 -0.945 -3.976 197 H LYS 108 H1 LYS 263 -22.077 2.598 -0.383 198 HZ1 LYS 108 HZ1 LYS 263 -23.664 5.942 -6.849 199 HZ2 LYS 108 HZ2 LYS 263 -22.151 6.691 -6.946 200 HZ3 LYS 108 HZ3 LYS 263 -23.175 7.015 -5.637 201 H THR 109 H1 THR 264 -18.258 2.542 -2.254 202 HG1 THR 109 HG1 THR 264 -18.302 1.515 0.029 203 H ARG 110 H1 ARG 265 -16.524 5.811 0.094 204 HE ARG 110 HE ARG 265 -18.847 8.883 -4.194 205 HH11 ARG 110 HH11 ARG 265 -17.812 11.939 -2.813 206 HH12 ARG 110 HH12 ARG 265 -18.875 12.888 -3.805 207 HH21 ARG 110 HH21 ARG 265 -20.245 10.150 -5.491 208 HH22 ARG 110 HH22 ARG 265 -20.273 11.872 -5.301 209 H VAL 111 H1 VAL 266 -12.780 6.036 -1.751 210 H ASP 112 H1 ASP 267 -10.507 8.411 1.241 211 H VAL 113 H1 VAL 268 -6.955 10.082 -0.804 212 H GLU 114 H1 GLU 269 -5.227 11.758 2.582 213 H HIS 115 H1 HIS 270 -2.371 14.855 1.310 214 HE2 HIS 115 HE2 HIS 270 1.040 12.767 7.546 215 H THR 116 H1 THR 271 0.401 16.460 4.227 216 HG1 THR 116 HG1 THR 271 -1.280 18.089 1.939 217 H HIS 117 H1 HIS 272 3.233 16.723 2.771 218 HD1 HIS 117 HD1 HIS 272 3.481 18.117 8.312 219 H PHE 118 H1 PHE 273 4.653 15.023 4.242 220 H ASP 119 H1 ASP 274 4.557 14.963 1.859 221 H ARG 120 H1 ARG 275 5.806 16.629 0.748 222 HE ARG 120 HE ARG 275 2.720 20.830 -1.692 223 HH11 ARG 120 HH11 ARG 275 3.476 22.720 1.168 224 HH12 ARG 120 HH12 ARG 275 2.064 23.722 1.036 225 HH21 ARG 120 HH21 ARG 275 0.856 22.166 -1.871 226 HH22 ARG 120 HH22 ARG 275 0.560 23.395 -0.682 227 H MET 121 H1 MET 276 8.037 15.738 -0.991 228 H GLY 122 H1 GLY 277 8.738 15.681 -3.032 229 H THR 123 H1 THR 278 9.424 14.989 -6.424 230 HG1 THR 123 HG1 THR 278 9.992 17.306 -6.525 231 H LYS 124 H1 LYS 279 13.575 15.279 -6.247 232 HZ1 LYS 124 HZ1 LYS 279 17.948 16.453 -1.415 233 HZ2 LYS 124 HZ2 LYS 279 18.534 16.750 -2.971 234 HZ3 LYS 124 HZ3 LYS 279 18.804 15.250 -2.238 235 H HIS 125 H1 HIS 280 13.270 13.124 -5.067 236 HD1 HIS 125 HD1 HIS 280 12.553 10.345 -0.759 237 H ALA 126 H1 ALA 281 11.420 12.006 -6.305 238 H LYS 127 H1 LYS 282 12.316 10.978 -8.638 239 HZ1 LYS 127 HZ1 LYS 282 14.225 14.226 -14.900 240 HZ2 LYS 127 HZ2 LYS 282 15.229 12.901 -14.581 241 HZ3 LYS 127 HZ3 LYS 282 15.302 14.273 -13.600 242 H ARG 128 H1 ARG 283 13.788 9.038 -7.740 243 HE ARG 128 HE ARG 283 18.039 6.807 -6.363 244 HH11 ARG 128 HH11 ARG 283 19.131 8.992 -3.860 245 HH12 ARG 128 HH12 ARG 283 20.519 8.037 -3.455 246 HH21 ARG 128 HH21 ARG 283 19.866 5.548 -5.826 247 HH22 ARG 128 HH22 ARG 283 20.953 6.104 -4.593 248 H VAL 129 H1 VAL 284 12.245 7.309 -6.489 249 H ARG 130 H1 ARG 285 11.188 6.315 -8.636 250 HE ARG 130 HE ARG 285 7.145 5.838 -13.581 251 HH11 ARG 130 HH11 ARG 285 8.942 8.616 -14.758 252 HH12 ARG 130 HH12 ARG 285 7.935 8.833 -16.151 253 HH21 ARG 130 HH21 ARG 285 5.809 6.143 -15.387 254 HH22 ARG 130 HH22 ARG 285 6.127 7.442 -16.493 255 H ASN 131 H1 ASN 286 12.259 4.000 -9.151 256 HD21 ASN 131 HD21 ASN 286 14.651 4.620 -9.230 257 HD22 ASN 131 HD22 ASN 286 15.562 5.083 -10.625 258 H GLY 132 H1 GLY 287 10.572 1.975 -8.634 259 H MET 133 H1 MET 288 9.209 1.809 -6.961 260 H ASP 134 H1 ASP 289 7.579 2.872 -8.927 261 H LYS 135 H1 LYS 290 6.814 0.546 -9.919 262 HZ1 LYS 135 HZ1 LYS 290 12.559 -1.502 -12.164 263 HZ2 LYS 135 HZ2 LYS 290 13.030 -0.578 -13.501 264 HZ3 LYS 135 HZ3 LYS 290 12.217 -2.040 -13.732 265 H GLY 136 H1 GLY 291 4.256 -0.130 -9.909 266 H TRP 137 H1 TRP 292 3.558 0.131 -8.086 267 HE1 TRP 137 HE1 TRP 292 0.917 1.536 -2.098 268 H THR 139 H1 THR 294 0.325 0.494 -10.897 269 HG1 THR 139 HG1 THR 294 1.556 -1.530 -12.627 270 H ILE 140 H1 ILE 295 -0.792 -1.117 -9.190 271 H LEU 141 H1 LEU 296 -2.709 0.293 -7.991 272 H GLN 142 H1 GLN 297 -4.554 0.465 -9.852 273 HE21 GLN 142 HE21 GLN 297 -6.705 3.118 -14.167 274 HE22 GLN 142 HE22 GLN 297 -5.294 3.521 -15.077 275 H SER 143 H1 SER 298 -5.325 -1.845 -10.287 276 HG SER 143 HG SER 298 -3.961 -3.242 -10.437 277 H PHE 144 H1 PHE 299 -6.500 -2.672 -8.247 278 H GLN 145 H1 GLN 300 -8.905 -1.506 -8.250 279 HE21 GLN 145 HE21 GLN 300 -12.784 2.573 -8.329 280 HE22 GLN 145 HE22 GLN 300 -12.396 3.700 -9.584 281 H ASP 146 H1 ASP 301 -10.584 -2.611 -10.341 282 H LYS 147 H1 LYS 302 -10.671 -5.056 -9.235 283 HZ1 LYS 147 HZ1 LYS 302 -10.879 -10.667 -5.549 284 HZ2 LYS 147 HZ2 LYS 302 -9.771 -11.442 -4.520 285 HZ3 LYS 147 HZ3 LYS 302 -9.348 -11.111 -6.123 286 H ILE 148 H1 ILE 303 -11.858 -5.077 -6.670 287 H ASP 149 H1 ASP 304 -14.144 -4.026 -7.415 288 H GLU 150 H1 GLU 305 -15.174 -5.902 -8.826 289 H GLU 151 H1 GLU 306 -15.600 -7.940 -7.230 290 H GLY 152 H1 GLY 307 -19.082 -8.119 -6.813 291 H ALA 153 H1 ALA 308 -19.907 -6.004 -7.297 292 H LYS 154 H1 LYS 309 -19.778 -5.731 -9.318 293 HZ1 LYS 154 HZ1 LYS 309 -14.578 -7.710 -13.979 294 HZ2 LYS 154 HZ2 LYS 309 -14.349 -6.029 -14.030 295 HZ3 LYS 154 HZ3 LYS 309 -14.454 -6.914 -15.471 296 H LYS 155 H1 LYS 310 -19.865 -8.460 -9.654 297 HZ1 LYS 155 HZ1 LYS 310 -15.394 -13.785 -11.847 298 HZ2 LYS 155 HZ2 LYS 310 -15.167 -12.109 -11.695 299 HZ3 LYS 155 HZ3 LYS 310 -15.238 -12.821 -13.226 300 HO3 DAG 622 HO3 DAG 622 21.505 -8.090 0.622 301 HO3 DSR 630 HO3 DSR 630 17.455 -2.403 -3.164 302 HO2 MRP 632 HO2 MRP 632 4.708 -0.592 -5.609 303 HO4 MRP 632 HO4 MRP 632 3.639 -4.895 -4.875 304 HN4 EMP 633 HN4 EMP 633 26.262 -12.104 -2.622 305 HAA EMP 633 HAA EMP 633 26.011 -10.653 -3.313 306 HO8 MTC 634 HO8 MTC 634 26.899 -1.546 -1.999 307 H11 MTC 634 H11 MTC 634 27.748 -7.157 -5.118 Start of MODEL 3 1 H1 ASN 1 H1 ASN 311 -0.925 15.765 -8.841 2 H2 ASN 1 H2 ASN 311 0.453 15.066 -9.534 3 H3 ASN 1 H3 ASN 311 0.617 16.245 -8.335 4 HD21 ASN 1 HD21 ASN 311 -0.765 10.740 -8.873 5 HD22 ASN 1 HD22 ASN 311 0.045 10.862 -10.399 6 H TYR 2 H1 TYR 312 0.856 13.589 -5.379 7 HH TYR 2 HH TYR 312 5.944 11.072 -11.359 8 H ASP 3 H1 ASP 313 3.755 14.708 -7.285 9 H PHE 5 H1 PHE 315 1.909 17.252 -5.189 10 H VAL 6 H1 VAL 316 0.243 15.608 -1.667 11 H ARG 7 H1 ARG 317 -2.437 12.940 -4.108 12 HE ARG 7 HE ARG 317 -6.194 16.637 -1.736 13 HH11 ARG 7 HH11 ARG 317 -8.109 18.347 -4.130 14 HH12 ARG 7 HH12 ARG 317 -8.290 19.765 -3.145 15 HH21 ARG 7 HH21 ARG 317 -6.417 18.477 -0.458 16 HH22 ARG 7 HH22 ARG 317 -7.293 19.852 -1.060 17 H HIS 8 H1 HIS 318 -5.238 11.069 -2.760 18 HD1 HIS 8 HD1 HIS 318 -4.257 8.527 -7.450 19 H SER 9 H1 SER 319 -7.805 8.971 -5.739 20 HG SER 9 HG SER 319 -9.127 10.486 -5.641 21 H VAL 10 H1 VAL 320 -10.434 6.497 -3.364 22 H THR 11 H1 THR 321 -12.717 4.134 -6.344 23 HG1 THR 11 HG1 THR 321 -14.071 6.197 -7.217 24 H VAL 12 H1 VAL 322 -15.161 3.018 -3.177 25 H LYS 13 H1 LYS 323 -16.832 -0.398 -5.390 26 HZ1 LYS 13 HZ1 LYS 323 -18.020 0.789 -11.604 27 HZ2 LYS 13 HZ2 LYS 323 -19.677 0.684 -11.278 28 HZ3 LYS 13 HZ3 LYS 323 -18.632 -0.556 -10.773 29 H ALA 14 H1 ALA 324 -18.880 -0.875 -2.712 30 H ASP 15 H1 ASP 325 -18.274 -2.499 -0.437 31 H ARG 16 H1 ARG 326 -19.354 -0.639 3.309 32 HE ARG 16 HE ARG 326 -16.378 4.276 5.763 33 HH11 ARG 16 HH11 ARG 326 -17.272 2.945 8.860 34 HH12 ARG 16 HH12 ARG 326 -16.670 4.302 9.758 35 HH21 ARG 16 HH21 ARG 326 -15.593 6.053 6.912 36 HH22 ARG 16 HH22 ARG 326 -15.739 6.099 8.649 37 H LYS 17 H1 LYS 327 -18.142 -2.435 4.828 38 HZ1 LYS 17 HZ1 LYS 327 -18.967 -6.436 10.906 39 HZ2 LYS 17 HZ2 LYS 327 -18.028 -7.829 11.115 40 HZ3 LYS 17 HZ3 LYS 327 -19.104 -7.718 9.815 41 H THR 18 H1 THR 328 -17.082 -4.281 3.321 42 HG1 THR 18 HG1 THR 328 -17.938 -4.796 1.930 43 H ALA 19 H1 ALA 329 -15.040 -2.995 2.128 44 H PHE 20 H1 PHE 330 -13.216 -2.554 4.018 45 H LYS 21 H1 LYS 331 -12.632 -4.979 4.593 46 HZ1 LYS 21 HZ1 LYS 331 -12.839 -10.559 9.838 47 HZ2 LYS 21 HZ2 LYS 331 -11.445 -10.220 8.942 48 HZ3 LYS 21 HZ3 LYS 331 -12.615 -11.273 8.320 49 H THR 22 H1 THR 332 -11.372 -6.035 2.424 50 HG1 THR 22 HG1 THR 332 -11.969 -5.625 0.614 51 H PHE 23 H1 PHE 333 -9.109 -4.817 2.527 52 H LEU 24 H1 LEU 334 -7.721 -5.317 4.505 53 H GLU 25 H1 GLU 335 -7.756 -7.516 5.033 54 H GLY 26 H1 GLY 336 -6.116 -8.941 3.275 55 H PHE 27 H1 PHE 337 -4.535 -10.468 2.669 56 H GLU 29 H1 GLU 339 -4.994 -12.217 -1.259 57 H TRP 30 H1 TRP 340 -4.640 -11.787 -3.259 58 HE1 TRP 30 HE1 TRP 340 -6.927 -7.439 -1.241 59 H TRP 31 H1 TRP 341 -5.386 -9.918 -7.339 60 HE1 TRP 31 HE1 TRP 341 -3.446 -16.341 -8.826 61 H ASN 33 H1 ASN 343 -0.562 -9.183 -8.796 62 HD21 ASN 33 HD21 ASN 343 4.103 -6.983 -10.017 63 HD22 ASN 33 HD22 ASN 343 5.088 -7.830 -11.156 64 H ASN 34 H1 ASN 344 0.676 -9.608 -7.683 65 HD21 ASN 34 HD21 ASN 344 0.853 -10.789 -3.276 66 HD22 ASN 34 HD22 ASN 344 -0.671 -10.001 -3.495 67 H PHE 35 H1 PHE 345 2.343 -13.263 -8.372 68 H ARG 36 H1 ARG 346 3.319 -14.683 -7.119 69 HE ARG 36 HE ARG 346 6.471 -18.991 -7.759 70 HH11 ARG 36 HH11 ARG 346 9.674 -18.645 -6.344 71 HH12 ARG 36 HH12 ARG 346 10.249 -20.154 -6.980 72 HH21 ARG 36 HH21 ARG 346 7.239 -20.989 -8.579 73 HH22 ARG 36 HH22 ARG 346 8.863 -21.494 -8.234 74 H THR 37 H1 THR 347 2.618 -17.864 -4.327 75 HG1 THR 37 HG1 THR 347 0.499 -18.080 -3.427 76 H THR 38 H1 THR 348 3.279 -16.387 -0.013 77 HG1 THR 38 HG1 THR 348 5.406 -19.914 -0.319 78 H LYS 39 H1 LYS 349 6.576 -16.210 -1.643 79 HZ1 LYS 39 HZ1 LYS 349 11.982 -15.030 1.113 80 HZ2 LYS 39 HZ2 LYS 349 12.487 -16.610 0.762 81 HZ3 LYS 39 HZ3 LYS 349 10.859 -16.181 0.570 82 H VAL 40 H1 VAL 350 5.404 -14.104 -1.985 83 H GLY 41 H1 GLY 351 3.424 -11.960 -0.161 84 H ALA 42 H1 ALA 352 2.438 -12.588 1.523 85 H LEU 44 H1 LEU 354 0.259 -13.855 5.659 86 H GLY 45 H1 GLY 355 1.352 -11.100 6.521 87 H VAL 46 H1 VAL 356 -1.155 -8.524 6.714 88 H ASP 47 H1 ASP 357 0.577 -5.840 9.826 89 H LYS 48 H1 LYS 358 -1.981 -7.616 13.009 90 HZ1 LYS 48 HZ1 LYS 358 -7.890 -8.931 13.274 91 HZ2 LYS 48 HZ2 LYS 358 -7.155 -10.440 13.075 92 HZ3 LYS 48 HZ3 LYS 358 -7.743 -9.603 11.725 93 H LYS 49 H1 LYS 359 -0.847 -6.625 14.887 94 HZ1 LYS 49 HZ1 LYS 359 1.644 -10.895 15.208 95 HZ2 LYS 49 HZ2 LYS 359 3.059 -9.981 15.360 96 HZ3 LYS 49 HZ3 LYS 359 1.597 -9.214 14.967 97 H GLY 50 H1 GLY 360 0.874 -5.184 15.865 98 H GLY 51 H1 GLY 361 0.819 -3.821 14.469 99 H ARG 52 H1 ARG 362 1.291 -3.558 11.705 100 HE ARG 52 HE ARG 362 5.639 -6.840 12.661 101 HH11 ARG 52 HH11 ARG 362 6.461 -4.493 15.123 102 HH12 ARG 52 HH12 ARG 362 6.814 -5.695 16.324 103 HH21 ARG 52 HH21 ARG 362 6.122 -8.421 14.247 104 HH22 ARG 52 HH22 ARG 362 6.641 -7.918 15.824 105 H TRP 53 H1 TRP 363 4.297 -2.977 8.610 106 HE1 TRP 53 HE1 TRP 363 0.780 -0.099 6.645 107 H TYR 54 H1 TYR 364 3.462 -7.088 7.100 108 HH TYR 54 HH TYR 364 11.849 -8.121 9.962 109 H GLU 55 H1 GLU 365 6.410 -8.953 5.248 110 H ILE 56 H1 ILE 366 4.326 -12.967 5.466 111 H ASP 57 H1 ASP 367 8.100 -14.940 5.987 112 H GLU 58 H1 GLU 368 8.643 -18.691 3.544 113 H GLN 59 H1 GLN 369 10.996 -18.301 4.403 114 HE21 GLN 59 HE21 GLN 369 13.379 -14.615 2.600 115 HE22 GLN 59 HE22 GLN 369 14.980 -14.643 1.933 116 H GLY 60 H1 GLY 370 10.761 -17.358 6.603 117 H GLU 61 H1 GLU 371 12.163 -13.717 7.840 118 H GLU 62 H1 GLU 372 9.019 -11.676 5.476 119 H HIS 63 H1 HIS 373 9.501 -9.529 2.051 120 HE2 HIS 63 HE2 HIS 373 5.823 -9.144 -0.249 121 H THR 64 H1 THR 374 9.252 -5.084 2.686 122 HG1 THR 64 HG1 THR 374 6.742 -4.037 6.808 123 H PHE 65 H1 PHE 375 5.493 -3.403 3.967 124 H GLY 66 H1 GLY 376 5.854 -1.703 5.186 125 H LEU 67 H1 LEU 377 4.965 1.870 7.427 126 H ILE 68 H1 ILE 378 2.712 0.588 11.010 127 H ARG 69 H1 ARG 379 0.299 4.219 10.594 128 HE ARG 69 HE ARG 379 3.273 9.152 11.098 129 HH11 ARG 69 HH11 ARG 379 4.869 7.509 13.763 130 HH12 ARG 69 HH12 ARG 379 6.212 8.605 13.805 131 HH21 ARG 69 HH21 ARG 379 5.049 10.585 11.129 132 HH22 ARG 69 HH22 ARG 379 6.314 10.363 12.306 133 H LYS 70 H1 LYS 380 -1.692 4.577 12.063 134 HZ1 LYS 70 HZ1 LYS 380 -5.674 8.801 16.899 135 HZ2 LYS 70 HZ2 LYS 380 -6.727 7.942 17.905 136 HZ3 LYS 70 HZ3 LYS 380 -6.424 7.388 16.329 137 H VAL 71 H1 VAL 381 -4.357 2.851 14.892 138 H ASP 72 H1 ASP 382 -7.141 4.179 12.699 139 H GLU 73 H1 GLU 383 -9.498 1.891 14.048 140 H ASP 75 H1 ASP 385 -11.945 3.537 10.313 141 H THR 76 H1 THR 386 -10.757 5.453 10.524 142 HG1 THR 76 HG1 THR 386 -11.296 8.056 10.177 143 H LEU 77 H1 LEU 387 -7.577 6.272 7.729 144 H VAL 78 H1 VAL 388 -3.955 5.019 9.753 145 H ILE 79 H1 ILE 389 -1.041 5.964 6.833 146 H GLY 80 H1 GLY 390 2.765 3.713 7.302 147 H TRP 81 H1 TRP 391 4.971 5.765 4.071 148 HE1 TRP 81 HE1 TRP 391 3.814 0.666 -0.448 149 H ARG 82 H1 ARG 392 7.119 2.214 2.204 150 HE ARG 82 HE ARG 392 12.658 -0.775 4.025 151 HH11 ARG 82 HH11 ARG 392 11.369 -2.808 1.495 152 HH12 ARG 82 HH12 ARG 392 12.565 -4.046 1.680 153 HH21 ARG 82 HH21 ARG 392 14.233 -2.412 4.318 154 HH22 ARG 82 HH22 ARG 392 14.208 -3.822 3.305 155 H LEU 83 H1 LEU 393 11.491 3.386 1.885 156 H ASN 84 H1 ASN 394 12.612 3.336 -2.507 157 HD21 ASN 84 HD21 ASN 394 11.456 -1.097 -3.021 158 HD22 ASN 84 HD22 ASN 394 12.372 -2.402 -3.688 159 H GLY 85 H1 GLY 395 15.310 0.204 -3.994 160 H PHE 86 H1 PHE 396 18.976 0.873 -5.671 161 H GLY 87 H1 GLY 397 21.988 0.664 -5.369 162 H ARG 88 H1 ARG 398 22.213 1.253 -1.309 163 HE ARG 88 HE ARG 398 17.065 1.776 -1.618 164 HH11 ARG 88 HH11 ARG 398 18.693 1.969 1.465 165 HH12 ARG 88 HH12 ARG 398 17.999 0.495 2.073 166 HH21 ARG 88 HH21 ARG 398 16.145 -0.179 -0.826 167 HH22 ARG 88 HH22 ARG 398 16.533 -0.715 0.779 168 H ILE 89 H1 ILE 399 21.756 4.922 0.996 169 H ASP 90 H1 ASP 400 20.665 2.807 4.966 170 H ASP 92 H1 ASP 402 16.005 6.582 5.176 171 H ASN 93 H1 ASN 403 14.678 8.037 4.999 172 HD21 ASN 93 HD21 ASN 403 14.251 12.287 3.891 173 HD22 ASN 93 HD22 ASN 403 15.902 12.014 3.452 174 H SER 94 H1 SER 404 11.811 7.923 3.899 175 HG SER 94 HG SER 404 11.306 6.442 7.048 176 H SER 95 H1 SER 405 7.454 7.270 4.089 177 HG SER 95 HG SER 405 8.234 10.189 2.711 178 H GLU 96 H1 GLU 406 4.863 10.190 5.566 179 H PHE 97 H1 PHE 407 0.850 8.056 5.540 180 H THR 98 H1 THR 408 -2.291 10.967 4.591 181 HG1 THR 98 HG1 THR 408 -3.081 12.621 5.247 182 H VAL 99 H1 VAL 409 -5.226 8.064 6.214 183 H THR 100 H1 THR 410 -8.667 8.690 3.582 184 HG1 THR 100 HG1 THR 410 -9.579 10.991 3.782 185 H PHE 101 H1 PHE 411 -11.886 6.796 5.897 186 H VAL 102 H1 VAL 412 -14.005 7.730 2.722 187 H ALA 103 H1 ALA 413 -17.980 6.895 4.317 188 H ASP 104 H1 ASP 414 -20.445 5.837 0.707 189 H GLY 105 H1 GLY 415 -24.433 6.585 2.096 190 H GLN 106 H1 GLN 416 -23.424 4.385 2.620 191 HE21 GLN 106 HE21 GLN 416 -25.032 0.359 5.983 192 HE22 GLN 106 HE22 GLN 416 -26.308 0.489 7.142 193 H LYS 107 H1 LYS 417 -22.771 2.640 0.699 194 HZ1 LYS 107 HZ1 LYS 417 -28.265 0.929 -2.938 195 HZ2 LYS 107 HZ2 LYS 417 -28.935 2.036 -1.855 196 HZ3 LYS 107 HZ3 LYS 417 -28.389 0.537 -1.297 197 H LYS 108 H1 LYS 418 -22.265 3.019 -1.305 198 HZ1 LYS 108 HZ1 LYS 418 -23.929 5.723 -7.357 199 HZ2 LYS 108 HZ2 LYS 418 -25.018 5.618 -6.067 200 HZ3 LYS 108 HZ3 LYS 418 -25.183 4.582 -7.394 201 H THR 109 H1 THR 419 -18.088 2.574 -1.636 202 HG1 THR 109 HG1 THR 419 -18.413 1.904 0.464 203 H ARG 110 H1 ARG 420 -16.596 6.362 -0.217 204 HE ARG 110 HE ARG 420 -17.290 8.225 -5.817 205 HH11 ARG 110 HH11 ARG 420 -18.890 10.407 -3.590 206 HH12 ARG 110 HH12 ARG 420 -20.264 10.653 -4.622 207 HH21 ARG 110 HH21 ARG 420 -19.085 8.551 -7.178 208 HH22 ARG 110 HH22 ARG 420 -20.361 9.617 -6.670 209 H VAL 111 H1 VAL 421 -12.675 5.599 -1.483 210 H ASP 112 H1 ASP 422 -10.645 8.476 1.221 211 H VAL 113 H1 VAL 423 -7.037 10.052 -0.902 212 H GLU 114 H1 GLU 424 -4.896 11.488 2.513 213 H HIS 115 H1 HIS 425 -2.330 14.910 1.429 214 HE2 HIS 115 HE2 HIS 425 1.491 13.306 7.522 215 H THR 116 H1 THR 426 0.566 16.391 4.170 216 HG1 THR 116 HG1 THR 426 -0.874 17.909 1.619 217 H HIS 117 H1 HIS 427 3.541 16.787 2.589 218 HD1 HIS 117 HD1 HIS 427 4.994 16.515 8.349 219 H PHE 118 H1 PHE 428 4.888 15.017 3.965 220 H ASP 119 H1 ASP 429 5.017 15.403 1.538 221 H ARG 120 H1 ARG 430 5.746 17.020 0.116 222 HE ARG 120 HE ARG 430 2.862 20.770 -1.994 223 HH11 ARG 120 HH11 ARG 430 3.961 22.934 0.534 224 HH12 ARG 120 HH12 ARG 430 2.469 23.818 0.610 225 HH21 ARG 120 HH21 ARG 430 0.907 21.947 -1.922 226 HH22 ARG 120 HH22 ARG 430 0.715 23.239 -0.782 227 H MET 121 H1 MET 431 8.223 15.851 -0.871 228 H GLY 122 H1 GLY 432 8.896 15.479 -2.923 229 H THR 123 H1 THR 433 9.315 14.393 -6.324 230 HG1 THR 123 HG1 THR 433 9.587 16.961 -7.240 231 H LYS 124 H1 LYS 434 13.457 15.171 -6.659 232 HZ1 LYS 124 HZ1 LYS 434 17.567 15.223 -1.959 233 HZ2 LYS 124 HZ2 LYS 434 17.982 15.995 -3.401 234 HZ3 LYS 124 HZ3 LYS 434 17.733 14.328 -3.386 235 H HIS 125 H1 HIS 435 13.262 13.138 -5.214 236 HD1 HIS 125 HD1 HIS 435 13.148 13.627 -1.477 237 H ALA 126 H1 ALA 436 11.271 11.817 -5.938 238 H LYS 127 H1 LYS 437 12.013 11.059 -8.264 239 HZ1 LYS 127 HZ1 LYS 437 16.314 12.769 -14.043 240 HZ2 LYS 127 HZ2 LYS 437 14.940 13.741 -14.191 241 HZ3 LYS 127 HZ3 LYS 437 15.416 12.747 -15.478 242 H ARG 128 H1 ARG 438 13.566 8.981 -7.620 243 HE ARG 128 HE ARG 438 16.307 9.664 -4.881 244 HH11 ARG 128 HH11 ARG 438 19.435 8.356 -5.742 245 HH12 ARG 128 HH12 ARG 438 20.029 8.372 -4.111 246 HH21 ARG 128 HH21 ARG 438 17.097 9.697 -2.736 247 HH22 ARG 128 HH22 ARG 438 18.701 9.125 -2.405 248 H VAL 129 H1 VAL 439 12.336 7.174 -6.456 249 H ARG 130 H1 ARG 440 10.969 6.355 -8.472 250 HE ARG 130 HE ARG 440 6.487 6.680 -12.009 251 HH11 ARG 130 HH11 ARG 440 8.670 9.164 -13.145 252 HH12 ARG 130 HH12 ARG 440 8.486 8.745 -14.818 253 HH21 ARG 130 HH21 ARG 440 6.253 6.106 -14.203 254 HH22 ARG 130 HH22 ARG 440 7.106 7.001 -15.426 255 H ASN 131 H1 ASN 441 12.038 4.043 -9.263 256 HD21 ASN 131 HD21 ASN 441 15.061 1.789 -12.305 257 HD22 ASN 131 HD22 ASN 441 15.604 0.214 -11.840 258 H GLY 132 H1 GLY 442 10.992 1.824 -8.622 259 H MET 133 H1 MET 443 9.370 1.769 -7.600 260 H ASP 134 H1 ASP 444 7.798 2.547 -9.308 261 H LYS 135 H1 LYS 445 6.646 0.383 -10.263 262 HZ1 LYS 135 HZ1 LYS 445 12.215 -1.003 -14.151 263 HZ2 LYS 135 HZ2 LYS 445 11.656 -2.376 -13.338 264 HZ3 LYS 135 HZ3 LYS 445 11.874 -0.928 -12.496 265 H GLY 136 H1 GLY 446 4.620 -0.331 -9.360 266 H TRP 137 H1 TRP 447 3.491 0.420 -7.860 267 HE1 TRP 137 HE1 TRP 447 -0.190 4.010 -3.157 268 H THR 139 H1 THR 449 0.369 0.353 -10.786 269 HG1 THR 139 HG1 THR 449 1.858 -1.836 -11.961 270 H ILE 140 H1 ILE 450 -0.794 -1.242 -9.001 271 H LEU 141 H1 LEU 451 -2.795 0.231 -8.011 272 H GLN 142 H1 GLN 452 -4.639 0.527 -10.086 273 HE21 GLN 142 HE21 GLN 452 -6.764 1.986 -14.882 274 HE22 GLN 142 HE22 GLN 452 -5.420 2.095 -15.966 275 H SER 143 H1 SER 453 -5.365 -2.019 -10.327 276 HG SER 143 HG SER 453 -4.115 -3.555 -11.138 277 H PHE 144 H1 PHE 454 -6.564 -2.632 -8.028 278 H GLN 145 H1 GLN 455 -8.705 -1.142 -8.165 279 HE21 GLN 145 HE21 GLN 455 -13.622 0.156 -8.513 280 HE22 GLN 145 HE22 GLN 455 -14.133 1.375 -7.388 281 H ASP 146 H1 ASP 456 -10.232 -2.586 -9.900 282 H LYS 147 H1 LYS 457 -10.600 -4.754 -9.005 283 HZ1 LYS 147 HZ1 LYS 457 -11.105 -10.652 -5.641 284 HZ2 LYS 147 HZ2 LYS 457 -10.247 -11.370 -4.364 285 HZ3 LYS 147 HZ3 LYS 457 -9.525 -11.221 -5.886 286 H ILE 148 H1 ILE 458 -12.066 -4.619 -6.616 287 H ASP 149 H1 ASP 459 -14.282 -3.919 -7.784 288 H GLU 150 H1 GLU 460 -15.047 -5.798 -9.185 289 H GLU 151 H1 GLU 461 -15.473 -7.912 -7.554 290 H GLY 152 H1 GLY 462 -18.950 -7.876 -7.115 291 H ALA 153 H1 ALA 463 -19.420 -5.746 -7.569 292 H LYS 154 H1 LYS 464 -19.666 -5.980 -9.791 293 HZ1 LYS 154 HZ1 LYS 464 -15.033 -4.462 -13.258 294 HZ2 LYS 154 HZ2 LYS 464 -15.656 -5.940 -12.719 295 HZ3 LYS 154 HZ3 LYS 464 -16.263 -4.485 -12.084 296 H LYS 155 H1 LYS 465 -20.004 -8.736 -9.767 297 HZ1 LYS 155 HZ1 LYS 465 -16.702 -11.797 -13.566 298 HZ2 LYS 155 HZ2 LYS 465 -17.791 -12.649 -14.543 299 HZ3 LYS 155 HZ3 LYS 465 -17.381 -13.246 -13.014 300 HO3 DAG 623 HO3 DAG 623 21.221 -9.206 1.325 301 HO3 DSR 635 HO3 DSR 635 17.308 -3.345 -2.336 302 HO2 MRP 637 HO2 MRP 637 4.788 -1.768 -5.874 303 HO4 MRP 637 HO4 MRP 637 3.843 -6.155 -5.629 304 HN4 EMP 638 HN4 EMP 638 26.440 -12.738 -1.765 305 HAA EMP 638 HAA EMP 638 26.193 -11.240 -2.349 306 HO8 MTC 639 HO8 MTC 639 26.549 -2.265 -0.164 307 H11 MTC 639 H11 MTC 639 27.940 -7.535 -3.660 Start of MODEL 4 1 H1 ASN 1 H1 ASN 466 -1.475 14.774 -7.662 2 H2 ASN 1 H2 ASN 466 -0.150 15.768 -7.993 3 H3 ASN 1 H3 ASN 466 -0.450 15.256 -6.405 4 HD21 ASN 1 HD21 ASN 466 1.466 13.192 -11.365 5 HD22 ASN 1 HD22 ASN 466 1.652 14.857 -11.802 6 H TYR 2 H1 TYR 467 1.635 12.535 -5.854 7 HH TYR 2 HH TYR 467 4.157 12.007 -12.463 8 H ASP 3 H1 ASP 468 5.276 14.826 -6.837 9 H PHE 5 H1 PHE 470 1.564 17.032 -5.385 10 H VAL 6 H1 VAL 471 -0.036 15.626 -1.728 11 H ARG 7 H1 ARG 472 -2.547 13.665 -4.227 12 HE ARG 7 HE ARG 472 -5.003 17.525 -0.333 13 HH11 ARG 7 HH11 ARG 472 -6.615 19.229 -2.945 14 HH12 ARG 7 HH12 ARG 472 -7.018 20.597 -1.962 15 HH21 ARG 7 HH21 ARG 472 -5.551 19.293 0.953 16 HH22 ARG 7 HH22 ARG 472 -6.395 20.646 0.262 17 H HIS 8 H1 HIS 473 -5.142 11.120 -2.653 18 HD1 HIS 8 HD1 HIS 473 -3.633 7.903 -6.783 19 H SER 9 H1 SER 474 -7.706 9.207 -5.765 20 HG SER 9 HG SER 474 -9.489 11.034 -3.361 21 H VAL 10 H1 VAL 475 -10.385 6.789 -3.483 22 H THR 11 H1 THR 476 -12.482 4.356 -6.526 23 HG1 THR 11 HG1 THR 476 -14.639 6.384 -7.887 24 H VAL 12 H1 VAL 477 -15.160 3.079 -3.465 25 H LYS 13 H1 LYS 478 -16.518 -0.863 -5.144 26 HZ1 LYS 13 HZ1 LYS 478 -17.380 0.627 -11.171 27 HZ2 LYS 13 HZ2 LYS 478 -19.063 0.764 -11.069 28 HZ3 LYS 13 HZ3 LYS 478 -18.308 -0.715 -10.724 29 H ALA 14 H1 ALA 479 -19.348 -1.046 -2.546 30 H ASP 15 H1 ASP 480 -18.334 -2.517 -0.150 31 H ARG 16 H1 ARG 481 -19.426 -1.112 3.806 32 HE ARG 16 HE ARG 481 -15.789 2.617 7.911 33 HH11 ARG 16 HH11 ARG 481 -18.556 1.404 9.662 34 HH12 ARG 16 HH12 ARG 481 -17.964 1.919 11.209 35 HH21 ARG 16 HH21 ARG 481 -15.018 3.315 9.928 36 HH22 ARG 16 HH22 ARG 481 -15.941 3.003 11.370 37 H LYS 17 H1 LYS 482 -18.079 -2.883 4.920 38 HZ1 LYS 17 HZ1 LYS 482 -21.671 -5.514 10.071 39 HZ2 LYS 17 HZ2 LYS 482 -20.584 -6.730 9.645 40 HZ3 LYS 17 HZ3 LYS 482 -21.703 -6.169 8.513 41 H THR 18 H1 THR 483 -16.989 -4.599 3.220 42 HG1 THR 18 HG1 THR 483 -17.822 -4.648 1.524 43 H ALA 19 H1 ALA 484 -15.003 -3.011 1.921 44 H PHE 20 H1 PHE 485 -13.243 -2.457 3.957 45 H LYS 21 H1 LYS 486 -12.471 -4.887 4.540 46 HZ1 LYS 21 HZ1 LYS 486 -11.168 -8.767 9.999 47 HZ2 LYS 21 HZ2 LYS 486 -11.101 -10.041 8.892 48 HZ3 LYS 21 HZ3 LYS 486 -12.299 -10.021 10.092 49 H THR 22 H1 THR 487 -11.185 -5.912 2.416 50 HG1 THR 22 HG1 THR 487 -11.688 -5.347 0.602 51 H PHE 23 H1 PHE 488 -8.982 -4.483 2.568 52 H LEU 24 H1 LEU 489 -7.449 -5.858 4.041 53 H GLU 25 H1 GLU 490 -7.627 -7.687 5.298 54 H GLY 26 H1 GLY 491 -7.303 -8.493 3.414 55 H PHE 27 H1 PHE 492 -5.162 -11.605 2.004 56 H GLU 29 H1 GLU 494 -5.029 -12.489 -1.695 57 H TRP 30 H1 TRP 495 -4.348 -11.948 -3.470 58 HE1 TRP 30 HE1 TRP 495 -5.158 -7.818 -1.255 59 H TRP 31 H1 TRP 496 -4.220 -10.073 -7.663 60 HE1 TRP 31 HE1 TRP 496 -3.982 -16.661 -10.504 61 H ASN 33 H1 ASN 498 -0.779 -9.887 -9.786 62 HD21 ASN 33 HD21 ASN 498 0.964 -5.253 -8.582 63 HD22 ASN 33 HD22 ASN 498 2.283 -5.029 -7.493 64 H ASN 34 H1 ASN 499 0.063 -10.133 -7.336 65 HD21 ASN 34 HD21 ASN 499 1.263 -12.227 -3.344 66 HD22 ASN 34 HD22 ASN 499 -0.385 -11.713 -3.195 67 H PHE 35 H1 PHE 500 2.805 -13.326 -8.375 68 H ARG 36 H1 ARG 501 3.085 -14.672 -6.666 69 HE ARG 36 HE ARG 501 6.919 -19.508 -7.258 70 HH11 ARG 36 HH11 ARG 501 9.500 -17.193 -7.783 71 HH12 ARG 36 HH12 ARG 501 10.224 -18.100 -9.068 72 HH21 ARG 36 HH21 ARG 501 7.896 -20.718 -8.937 73 HH22 ARG 36 HH22 ARG 501 9.313 -20.094 -9.727 74 H THR 37 H1 THR 502 2.397 -17.808 -4.305 75 HG1 THR 37 HG1 THR 502 1.822 -19.752 -2.145 76 H THR 38 H1 THR 503 3.290 -16.355 -0.026 77 HG1 THR 38 HG1 THR 503 4.357 -19.484 1.365 78 H LYS 39 H1 LYS 504 6.168 -16.448 -1.883 79 HZ1 LYS 39 HZ1 LYS 504 10.277 -14.662 -0.759 80 HZ2 LYS 39 HZ2 LYS 504 11.850 -15.234 -0.522 81 HZ3 LYS 39 HZ3 LYS 504 10.560 -15.922 0.342 82 H VAL 40 H1 VAL 505 5.334 -14.343 -2.231 83 H GLY 41 H1 GLY 506 3.633 -11.767 -0.232 84 H ALA 42 H1 ALA 507 2.418 -12.513 1.684 85 H LEU 44 H1 LEU 509 -0.455 -12.920 4.808 86 H GLY 45 H1 GLY 510 1.339 -10.887 6.150 87 H VAL 46 H1 VAL 511 -1.219 -8.149 6.457 88 H ASP 47 H1 ASP 512 0.443 -5.609 9.747 89 H LYS 48 H1 LYS 513 -2.491 -7.102 12.445 90 HZ1 LYS 48 HZ1 LYS 513 -6.662 -8.987 12.639 91 HZ2 LYS 48 HZ2 LYS 513 -6.422 -10.487 11.907 92 HZ3 LYS 48 HZ3 LYS 513 -7.309 -9.294 11.102 93 H LYS 49 H1 LYS 514 -1.208 -6.140 14.603 94 HZ1 LYS 49 HZ1 LYS 514 0.867 -9.627 14.174 95 HZ2 LYS 49 HZ2 LYS 514 0.723 -11.212 13.578 96 HZ3 LYS 49 HZ3 LYS 514 1.615 -10.918 14.980 97 H GLY 50 H1 GLY 515 0.497 -5.274 15.792 98 H GLY 51 H1 GLY 516 0.447 -3.713 14.507 99 H ARG 52 H1 ARG 517 1.323 -3.555 12.043 100 HE ARG 52 HE ARG 517 3.872 -7.025 13.907 101 HH11 ARG 52 HH11 ARG 517 7.346 -6.673 13.626 102 HH12 ARG 52 HH12 ARG 517 7.680 -8.214 14.353 103 HH21 ARG 52 HH21 ARG 517 4.318 -9.064 14.828 104 HH22 ARG 52 HH22 ARG 517 5.963 -9.579 15.027 105 H TRP 53 H1 TRP 518 4.548 -3.358 9.096 106 HE1 TRP 53 HE1 TRP 518 0.789 -0.163 7.458 107 H TYR 54 H1 TYR 519 3.448 -7.175 7.298 108 HH TYR 54 HH TYR 519 11.925 -7.311 9.748 109 H GLU 55 H1 GLU 520 6.511 -9.179 5.431 110 H ILE 56 H1 ILE 521 4.565 -13.268 4.856 111 H ASP 57 H1 ASP 522 8.134 -15.454 6.096 112 H GLU 58 H1 GLU 523 9.375 -18.839 3.512 113 H GLN 59 H1 GLN 524 11.653 -18.201 4.675 114 HE21 GLN 59 HE21 GLN 524 12.786 -16.519 2.504 115 HE22 GLN 59 HE22 GLN 524 14.040 -15.992 1.421 116 H GLY 60 H1 GLY 525 10.971 -17.215 6.753 117 H GLU 61 H1 GLU 526 11.863 -13.510 7.940 118 H GLU 62 H1 GLU 527 8.828 -11.714 5.219 119 H HIS 63 H1 HIS 528 9.294 -9.591 1.915 120 HE2 HIS 63 HE2 HIS 528 5.755 -9.235 -0.376 121 H THR 64 H1 THR 529 9.432 -5.129 2.930 122 HG1 THR 64 HG1 THR 529 6.859 -4.168 7.005 123 H PHE 65 H1 PHE 530 5.497 -3.787 3.714 124 H GLY 66 H1 GLY 531 5.723 -1.853 5.271 125 H LEU 67 H1 LEU 532 5.068 1.686 7.530 126 H ILE 68 H1 ILE 533 2.835 0.519 11.162 127 H ARG 69 H1 ARG 534 0.243 4.166 10.891 128 HE ARG 69 HE ARG 534 4.243 8.276 11.139 129 HH11 ARG 69 HH11 ARG 534 5.261 5.913 13.534 130 HH12 ARG 69 HH12 ARG 534 6.867 6.556 13.667 131 HH21 ARG 69 HH21 ARG 534 6.355 9.087 11.265 132 HH22 ARG 69 HH22 ARG 534 7.503 8.364 12.357 133 H LYS 70 H1 LYS 535 -1.567 4.650 12.200 134 HZ1 LYS 70 HZ1 LYS 535 -6.633 9.159 16.024 135 HZ2 LYS 70 HZ2 LYS 535 -7.009 8.918 17.651 136 HZ3 LYS 70 HZ3 LYS 535 -7.774 7.986 16.460 137 H VAL 71 H1 VAL 536 -4.323 3.120 15.067 138 H ASP 72 H1 ASP 537 -6.960 4.339 13.039 139 H GLU 73 H1 GLU 538 -9.522 2.077 14.445 140 H ASP 75 H1 ASP 540 -11.453 3.598 10.269 141 H THR 76 H1 THR 541 -10.571 5.338 10.885 142 HG1 THR 76 HG1 THR 541 -11.024 7.814 11.107 143 H LEU 77 H1 LEU 542 -7.639 6.270 8.092 144 H VAL 78 H1 VAL 543 -3.902 4.868 9.843 145 H ILE 79 H1 ILE 544 -1.079 5.884 6.937 146 H GLY 80 H1 GLY 545 2.761 3.635 7.264 147 H TRP 81 H1 TRP 546 4.544 5.647 3.921 148 HE1 TRP 81 HE1 TRP 546 5.231 0.742 -1.186 149 H ARG 82 H1 ARG 547 7.223 2.397 2.138 150 HE ARG 82 HE ARG 547 11.561 0.625 5.353 151 HH11 ARG 82 HH11 ARG 547 10.266 -2.044 3.504 152 HH12 ARG 82 HH12 ARG 547 11.764 -2.922 3.476 153 HH21 ARG 82 HH21 ARG 547 13.544 -0.548 5.342 154 HH22 ARG 82 HH22 ARG 547 13.617 -2.081 4.524 155 H LEU 83 H1 LEU 548 11.497 3.568 1.562 156 H ASN 84 H1 ASN 549 11.910 3.255 -2.910 157 HD21 ASN 84 HD21 ASN 549 10.675 -0.567 -3.819 158 HD22 ASN 84 HD22 ASN 549 11.451 -2.027 -4.323 159 H GLY 85 H1 GLY 550 14.872 0.381 -4.379 160 H PHE 86 H1 PHE 551 18.945 1.051 -5.324 161 H GLY 87 H1 GLY 552 21.808 0.363 -5.257 162 H ARG 88 H1 ARG 553 21.176 1.061 -1.867 163 HE ARG 88 HE ARG 553 16.046 2.265 -1.054 164 HH11 ARG 88 HH11 ARG 553 18.334 2.110 1.593 165 HH12 ARG 88 HH12 ARG 553 17.495 0.833 2.418 166 HH21 ARG 88 HH21 ARG 553 14.914 0.598 0.052 167 HH22 ARG 88 HH22 ARG 553 15.543 -0.019 1.543 168 H ILE 89 H1 ILE 554 21.841 4.677 0.669 169 H ASP 90 H1 ASP 555 21.021 3.209 4.935 170 H ASP 92 H1 ASP 557 16.665 5.944 6.036 171 H ASN 93 H1 ASN 558 13.041 6.867 6.321 172 HD21 ASN 93 HD21 ASN 558 11.151 10.827 5.660 173 HD22 ASN 93 HD22 ASN 558 11.504 12.377 4.982 174 H SER 94 H1 SER 559 11.536 7.361 4.633 175 HG SER 94 HG SER 559 10.059 5.852 7.758 176 H SER 95 H1 SER 560 7.083 7.018 4.209 177 HG SER 95 HG SER 560 8.103 9.352 2.415 178 H GLU 96 H1 GLU 561 4.941 10.120 5.623 179 H PHE 97 H1 PHE 562 0.860 8.104 5.624 180 H THR 98 H1 THR 563 -2.339 11.007 4.671 181 HG1 THR 98 HG1 THR 563 -3.157 12.870 5.511 182 H VAL 99 H1 VAL 564 -5.209 8.126 6.310 183 H THR 100 H1 THR 565 -8.681 8.825 3.630 184 HG1 THR 100 HG1 THR 565 -9.140 11.582 4.692 185 H PHE 101 H1 PHE 566 -12.198 7.558 6.009 186 H VAL 102 H1 VAL 567 -14.544 7.495 2.528 187 H ALA 103 H1 ALA 568 -18.386 6.950 4.092 188 H ASP 104 H1 ASP 569 -20.765 5.702 0.449 189 H GLY 105 H1 GLY 570 -24.491 6.284 2.000 190 H GLN 106 H1 GLN 571 -23.415 4.142 2.371 191 HE21 GLN 106 HE21 GLN 571 -25.160 -1.873 3.286 192 HE22 GLN 106 HE22 GLN 571 -26.033 -2.253 4.733 193 H LYS 107 H1 LYS 572 -24.108 1.545 0.319 194 HZ1 LYS 107 HZ1 LYS 572 -28.366 0.567 -3.989 195 HZ2 LYS 107 HZ2 LYS 572 -28.916 2.144 -3.716 196 HZ3 LYS 107 HZ3 LYS 572 -28.828 1.047 -2.433 197 H LYS 108 H1 LYS 573 -22.419 2.816 -1.172 198 HZ1 LYS 108 HZ1 LYS 573 -24.970 5.598 -6.100 199 HZ2 LYS 108 HZ2 LYS 573 -24.804 4.925 -7.640 200 HZ3 LYS 108 HZ3 LYS 573 -23.834 6.235 -7.184 201 H THR 109 H1 THR 574 -18.219 2.400 -1.842 202 HG1 THR 109 HG1 THR 574 -17.639 0.593 0.795 203 H ARG 110 H1 ARG 575 -16.611 5.930 0.105 204 HE ARG 110 HE ARG 575 -16.512 8.784 -5.430 205 HH11 ARG 110 HH11 ARG 575 -18.583 10.716 -3.356 206 HH12 ARG 110 HH12 ARG 575 -19.393 11.495 -4.679 207 HH21 ARG 110 HH21 ARG 575 -17.587 9.807 -7.179 208 HH22 ARG 110 HH22 ARG 575 -18.826 10.976 -6.853 209 H VAL 111 H1 VAL 576 -12.575 5.992 -1.699 210 H ASP 112 H1 ASP 577 -10.550 8.522 1.152 211 H VAL 113 H1 VAL 578 -7.061 10.277 -0.981 212 H GLU 114 H1 GLU 579 -4.987 11.751 2.604 213 H HIS 115 H1 HIS 580 -2.619 15.163 1.540 214 HE2 HIS 115 HE2 HIS 580 1.522 13.196 7.426 215 H THR 116 H1 THR 581 0.231 16.703 4.228 216 HG1 THR 116 HG1 THR 581 -1.590 18.832 2.754 217 H HIS 117 H1 HIS 582 3.406 16.850 2.626 218 HD1 HIS 117 HD1 HIS 582 4.965 18.997 7.735 219 H PHE 118 H1 PHE 583 4.613 15.056 3.772 220 H ASP 119 H1 ASP 584 4.704 15.525 1.468 221 H ARG 120 H1 ARG 585 5.500 17.339 0.184 222 HE ARG 120 HE ARG 585 2.153 20.003 -2.311 223 HH11 ARG 120 HH11 ARG 585 3.156 21.588 0.649 224 HH12 ARG 120 HH12 ARG 585 1.929 22.813 0.567 225 HH21 ARG 120 HH21 ARG 585 0.521 21.614 -2.423 226 HH22 ARG 120 HH22 ARG 585 0.431 22.821 -1.178 227 H MET 121 H1 MET 586 8.110 16.390 -2.032 228 H GLY 122 H1 GLY 587 8.970 16.003 -3.648 229 H THR 123 H1 THR 588 9.766 14.952 -6.783 230 HG1 THR 123 HG1 THR 588 10.650 17.039 -6.711 231 H LYS 124 H1 LYS 589 14.119 15.016 -6.809 232 HZ1 LYS 124 HZ1 LYS 589 18.964 14.938 -1.767 233 HZ2 LYS 124 HZ2 LYS 589 19.563 15.348 -3.295 234 HZ3 LYS 124 HZ3 LYS 589 19.511 13.726 -2.818 235 H HIS 125 H1 HIS 590 13.586 13.010 -5.229 236 HD1 HIS 125 HD1 HIS 590 12.885 13.913 -1.913 237 H ALA 126 H1 ALA 591 11.519 11.947 -6.111 238 H LYS 127 H1 LYS 592 12.039 11.052 -8.597 239 HZ1 LYS 127 HZ1 LYS 592 14.334 12.924 -14.727 240 HZ2 LYS 127 HZ2 LYS 592 14.588 14.319 -13.802 241 HZ3 LYS 127 HZ3 LYS 592 13.352 14.281 -14.961 242 H ARG 128 H1 ARG 593 13.490 9.017 -7.697 243 HE ARG 128 HE ARG 593 16.335 8.153 -4.207 244 HH11 ARG 128 HH11 ARG 593 19.654 8.513 -5.221 245 HH12 ARG 128 HH12 ARG 593 20.308 7.979 -3.705 246 HH21 ARG 128 HH21 ARG 593 17.197 7.477 -2.197 247 HH22 ARG 128 HH22 ARG 593 18.915 7.402 -1.990 248 H VAL 129 H1 VAL 594 12.230 7.346 -6.260 249 H ARG 130 H1 ARG 595 10.609 6.518 -8.048 250 HE ARG 130 HE ARG 595 5.753 7.049 -10.647 251 HH11 ARG 130 HH11 ARG 595 7.042 10.098 -11.787 252 HH12 ARG 130 HH12 ARG 595 5.769 10.340 -12.937 253 HH21 ARG 130 HH21 ARG 595 4.130 7.337 -12.154 254 HH22 ARG 130 HH22 ARG 595 4.102 8.760 -13.156 255 H ASN 131 H1 ASN 596 11.743 4.303 -8.892 256 HD21 ASN 131 HD21 ASN 596 14.761 3.644 -12.139 257 HD22 ASN 131 HD22 ASN 596 15.606 2.188 -12.523 258 H GLY 132 H1 GLY 597 10.743 2.115 -8.419 259 H MET 133 H1 MET 598 9.292 1.738 -7.074 260 H ASP 134 H1 ASP 599 7.553 2.651 -8.931 261 H LYS 135 H1 LYS 600 6.819 0.373 -10.033 262 HZ1 LYS 135 HZ1 LYS 600 12.221 -2.094 -11.937 263 HZ2 LYS 135 HZ2 LYS 600 12.744 -1.500 -13.426 264 HZ3 LYS 135 HZ3 LYS 600 11.863 -2.935 -13.361 265 H GLY 136 H1 GLY 601 4.639 -0.496 -9.343 266 H TRP 137 H1 TRP 602 3.508 0.154 -7.903 267 HE1 TRP 137 HE1 TRP 602 -0.236 2.496 -2.673 268 H THR 139 H1 THR 604 0.359 0.171 -10.218 269 HG1 THR 139 HG1 THR 604 0.987 -0.307 -12.377 270 H ILE 140 H1 ILE 605 -0.882 -1.488 -8.873 271 H LEU 141 H1 LEU 606 -2.621 0.142 -8.030 272 H GLN 142 H1 GLN 607 -4.666 0.467 -9.949 273 HE21 GLN 142 HE21 GLN 607 -7.524 3.652 -13.199 274 HE22 GLN 142 HE22 GLN 607 -6.845 3.864 -14.771 275 H SER 143 H1 SER 608 -5.492 -1.752 -10.515 276 HG SER 143 HG SER 608 -4.282 -3.232 -11.533 277 H PHE 144 H1 PHE 609 -6.576 -2.582 -8.144 278 H GLN 145 H1 GLN 610 -8.924 -1.335 -8.073 279 HE21 GLN 145 HE21 GLN 610 -10.167 2.513 -8.272 280 HE22 GLN 145 HE22 GLN 610 -10.732 3.925 -9.091 281 H ASP 146 H1 ASP 611 -10.567 -2.468 -9.876 282 H LYS 147 H1 LYS 612 -10.768 -4.755 -8.856 283 HZ1 LYS 147 HZ1 LYS 612 -10.342 -9.582 -3.070 284 HZ2 LYS 147 HZ2 LYS 612 -11.210 -9.733 -4.530 285 HZ3 LYS 147 HZ3 LYS 612 -11.815 -8.769 -3.288 286 H ILE 148 H1 ILE 613 -12.255 -4.742 -6.481 287 H ASP 149 H1 ASP 614 -14.446 -3.911 -7.589 288 H GLU 150 H1 GLU 615 -15.266 -6.066 -8.905 289 H GLU 151 H1 GLU 616 -15.885 -7.800 -7.110 290 H GLY 152 H1 GLY 617 -19.422 -8.419 -6.959 291 H ALA 153 H1 ALA 618 -19.919 -6.114 -7.418 292 H LYS 154 H1 LYS 619 -19.711 -6.088 -9.723 293 HZ1 LYS 154 HZ1 LYS 619 -14.635 -7.299 -13.231 294 HZ2 LYS 154 HZ2 LYS 619 -14.450 -5.613 -13.334 295 HZ3 LYS 154 HZ3 LYS 619 -14.617 -6.532 -14.740 296 H LYS 155 H1 LYS 620 -20.087 -8.762 -9.600 297 HZ1 LYS 155 HZ1 LYS 620 -15.392 -12.481 -12.847 298 HZ2 LYS 155 HZ2 LYS 620 -15.743 -13.325 -14.278 299 HZ3 LYS 155 HZ3 LYS 620 -15.960 -14.076 -12.778 300 HO3 DAG 624 HO3 DAG 624 20.825 -9.536 1.428 301 HO3 DSR 640 HO3 DSR 640 17.250 -3.466 -2.239 302 HO2 MRP 642 HO2 MRP 642 4.828 -1.155 -5.717 303 HO4 MRP 642 HO4 MRP 642 3.623 -5.475 -5.446 304 HN4 EMP 643 HN4 EMP 643 25.805 -13.388 -1.674 305 HAA EMP 643 HAA EMP 643 25.645 -11.881 -2.263 306 HO8 MTC 644 HO8 MTC 644 26.552 -2.934 -0.121 307 H11 MTC 644 H11 MTC 644 27.604 -8.293 -3.601
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