NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
597358 | 2n88 | 25837 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 49 HT1 GLY 49 23.615 -0.929 -1.913 2 H2 GLY 49 HT2 GLY 49 23.548 0.304 -3.074 3 H3 GLY 49 HT3 GLY 49 24.624 -0.990 -3.276 4 HA2 GLY 49 HA1 GLY 49 22.691 -1.222 -4.717 5 HA3 GLY 49 HA2 GLY 49 22.801 -2.529 -3.543 6 H LEU 50 HN LEU 50 20.869 -3.051 -2.780 7 HA LEU 50 HA LEU 50 18.983 -0.852 -2.238 8 HB2 LEU 50 HB2 LEU 50 18.412 -3.659 -3.163 9 HB3 LEU 50 HB1 LEU 50 17.179 -2.602 -2.508 10 HG LEU 50 HG LEU 50 17.885 -0.973 -4.391 11 HD11 LEU 50 HD11 LEU 50 18.745 -2.079 -6.404 12 HD12 LEU 50 HD12 LEU 50 18.987 -3.560 -5.476 13 HD13 LEU 50 HD13 LEU 50 19.910 -2.111 -5.081 14 HD21 LEU 50 HD21 LEU 50 16.429 -3.544 -4.984 15 HD22 LEU 50 HD22 LEU 50 16.341 -2.072 -5.952 16 HD23 LEU 50 HD23 LEU 50 15.732 -2.076 -4.297 17 H GLU 51 HN GLU 51 20.868 -1.651 -0.284 18 HA GLU 51 HA GLU 51 19.440 -3.262 1.619 19 HB2 GLU 51 HB2 GLU 51 21.072 -2.214 3.299 20 HB3 GLU 51 HB1 GLU 51 21.741 -3.256 2.057 21 HG2 GLU 51 HG2 GLU 51 21.667 -0.303 1.643 22 HG3 GLU 51 HG1 GLU 51 22.914 -1.031 2.655 23 H TYR 52 HN TYR 52 17.758 -2.685 2.690 24 HA TYR 52 HA TYR 52 16.074 -1.476 3.618 25 HB2 TYR 52 HB2 TYR 52 17.952 0.877 3.334 26 HB3 TYR 52 HB1 TYR 52 16.337 0.994 4.016 27 HD1 TYR 52 HD2 TYR 52 15.817 -0.227 6.136 28 HD2 TYR 52 HD1 TYR 52 19.783 0.120 4.637 29 HE1 TYR 52 HE2 TYR 52 16.699 -0.795 8.357 30 HE2 TYR 52 HE1 TYR 52 20.674 -0.440 6.859 31 HH TYR 52 HH TYR 52 19.971 -0.365 9.192 32 H ALA 53 HN ALA 53 14.509 0.319 2.953 33 HA ALA 53 HA ALA 53 14.660 1.067 0.160 34 HB1 ALA 53 HB1 ALA 53 13.783 -1.214 0.071 35 HB2 ALA 53 HB2 ALA 53 12.572 -0.039 -0.446 36 HB3 ALA 53 HB3 ALA 53 12.477 -0.757 1.163 37 H VAL 54 HN VAL 54 13.085 2.653 -0.410 38 HA VAL 54 HA VAL 54 11.874 3.939 1.957 39 HB VAL 54 HB VAL 54 12.961 5.371 -0.474 40 HG11 VAL 54 HG11 VAL 54 11.148 6.556 0.639 41 HG12 VAL 54 HG12 VAL 54 12.684 7.387 0.887 42 HG13 VAL 54 HG13 VAL 54 11.988 6.414 2.183 43 HG21 VAL 54 HG21 VAL 54 14.788 6.115 0.994 44 HG22 VAL 54 HG22 VAL 54 14.789 4.365 0.773 45 HG23 VAL 54 HG23 VAL 54 14.176 5.064 2.272 46 H ALA 55 HN ALA 55 9.780 3.367 1.794 47 HA ALA 55 HA ALA 55 8.302 3.211 -0.606 48 HB1 ALA 55 HB1 ALA 55 7.619 2.056 1.425 49 HB2 ALA 55 HB2 ALA 55 6.341 3.136 0.864 50 HB3 ALA 55 HB3 ALA 55 7.355 3.603 2.231 51 H GLU 56 HN GLU 56 7.742 4.835 -1.883 52 HA GLU 56 HA GLU 56 7.881 7.556 -0.968 53 HB2 GLU 56 HB2 GLU 56 7.097 6.383 -3.642 54 HB3 GLU 56 HB1 GLU 56 7.253 8.104 -3.320 55 HG2 GLU 56 HG2 GLU 56 9.455 6.059 -3.141 56 HG3 GLU 56 HG1 GLU 56 9.226 7.237 -4.433 57 H SER 57 HN SER 57 5.364 5.354 -2.148 58 HA SER 57 HA SER 57 3.330 6.619 -0.582 59 HB2 SER 57 HB2 SER 57 1.928 7.160 -2.676 60 HB3 SER 57 HB1 SER 57 3.229 8.275 -2.265 61 HG SER 57 HG SER 57 4.538 7.139 -3.798 62 H VAL 58 HN VAL 58 1.120 5.644 -1.183 63 HA VAL 58 HA VAL 58 1.444 2.895 -2.199 64 HB VAL 58 HB VAL 58 -0.609 3.906 -0.209 65 HG11 VAL 58 HG11 VAL 58 -1.255 1.558 0.004 66 HG12 VAL 58 HG12 VAL 58 -0.097 1.123 -1.253 67 HG13 VAL 58 HG13 VAL 58 -1.484 2.140 -1.645 68 HG21 VAL 58 HG21 VAL 58 0.556 2.441 1.395 69 HG22 VAL 58 HG22 VAL 58 1.580 3.752 0.813 70 HG23 VAL 58 HG23 VAL 58 1.791 2.120 0.178 71 H ILE 59 HN ILE 59 0.331 2.459 -4.043 72 HA ILE 59 HA ILE 59 -1.661 4.482 -4.852 73 HB ILE 59 HB ILE 59 -0.854 4.577 -7.061 74 HG12 ILE 59 HG12 ILE 59 -0.358 2.195 -7.421 75 HG13 ILE 59 HG11 ILE 59 0.969 3.214 -7.957 76 HG21 ILE 59 HG21 ILE 59 1.519 4.585 -5.206 77 HG22 ILE 59 HG22 ILE 59 0.411 5.924 -5.502 78 HG23 ILE 59 HG23 ILE 59 1.458 5.346 -6.798 79 HD11 ILE 59 HD11 ILE 59 0.833 1.488 -5.506 80 HD12 ILE 59 HD12 ILE 59 2.089 2.696 -5.764 81 HD13 ILE 59 HD13 ILE 59 1.925 1.343 -6.886 82 H GLY 60 HN GLY 60 -1.312 1.283 -4.162 83 HA2 GLY 60 HA2 GLY 60 -3.569 0.599 -5.924 84 HA3 GLY 60 HA1 GLY 60 -2.175 -0.464 -5.849 85 H LYS 61 HN LYS 61 -4.896 -1.139 -5.200 86 HA LYS 61 HA LYS 61 -4.486 -2.097 -2.477 87 HB2 LYS 61 HB2 LYS 61 -5.679 0.067 -2.257 88 HB3 LYS 61 HB1 LYS 61 -6.952 -0.549 -3.296 89 HG2 LYS 61 HG2 LYS 61 -7.456 -2.279 -1.626 90 HG3 LYS 61 HG1 LYS 61 -6.204 -1.605 -0.578 91 HD2 LYS 61 HD2 LYS 61 -7.418 0.563 -0.622 92 HD3 LYS 61 HD1 LYS 61 -8.713 -0.224 -1.526 93 HE2 LYS 61 HE2 LYS 61 -9.062 -1.778 0.331 94 HE3 LYS 61 HE1 LYS 61 -7.758 -1.001 1.228 95 HZ1 LYS 61 HZ1 LYS 61 -9.062 1.079 1.143 96 HZ2 LYS 61 HZ2 LYS 61 -9.836 -0.160 2.001 97 HZ3 LYS 61 HZ3 LYS 61 -10.343 0.226 0.427 98 H ARG 62 HN ARG 62 -5.105 -4.185 -2.345 99 HA ARG 62 HA ARG 62 -7.234 -5.113 -4.174 100 HB2 ARG 62 HB2 ARG 62 -4.888 -6.747 -3.178 101 HB3 ARG 62 HB1 ARG 62 -6.198 -7.331 -4.191 102 HG2 ARG 62 HG2 ARG 62 -4.211 -5.225 -4.978 103 HG3 ARG 62 HG1 ARG 62 -4.149 -6.926 -5.448 104 HD2 ARG 62 HD2 ARG 62 -6.374 -6.658 -6.507 105 HD3 ARG 62 HD1 ARG 62 -6.301 -4.935 -6.130 106 HE ARG 62 HE ARG 62 -4.105 -6.067 -7.697 107 HH11 ARG 62 HH11 ARG 62 -7.057 -4.187 -7.593 108 HH12 ARG 62 HH12 ARG 62 -6.812 -3.482 -9.162 109 HH21 ARG 62 HH21 ARG 62 -3.761 -5.133 -9.752 110 HH22 ARG 62 HH22 ARG 62 -4.937 -4.024 -10.401 111 H VAL 63 HN VAL 63 -9.009 -5.411 -2.975 112 HA VAL 63 HA VAL 63 -8.727 -6.453 -0.250 113 HB VAL 63 HB VAL 63 -11.164 -5.381 -1.689 114 HG11 VAL 63 HG11 VAL 63 -10.852 -6.251 1.184 115 HG12 VAL 63 HG12 VAL 63 -11.792 -7.082 -0.059 116 HG13 VAL 63 HG13 VAL 63 -12.278 -5.479 0.490 117 HG21 VAL 63 HG21 VAL 63 -9.435 -4.194 0.477 118 HG22 VAL 63 HG22 VAL 63 -10.964 -3.514 -0.075 119 HG23 VAL 63 HG23 VAL 63 -9.596 -3.620 -1.182 120 H GLY 64 HN GLY 64 -8.796 -8.615 -0.003 121 HA2 GLY 64 HA2 GLY 64 -10.141 -10.225 -2.037 122 HA3 GLY 64 HA1 GLY 64 -9.138 -10.832 -0.723 123 H ASP 65 HN ASP 65 -12.161 -10.858 -1.841 124 HA ASP 65 HA ASP 65 -13.598 -10.400 0.629 125 HB2 ASP 65 HB2 ASP 65 -14.581 -11.512 -2.012 126 HB3 ASP 65 HB1 ASP 65 -15.595 -11.019 -0.660 127 H ASP 66 HN ASP 66 -12.400 -13.092 -1.254 128 HA ASP 66 HA ASP 66 -13.957 -15.041 0.211 129 HB2 ASP 66 HB2 ASP 66 -13.435 -15.218 -2.247 130 HB3 ASP 66 HB1 ASP 66 -11.766 -15.560 -1.806 131 H GLY 67 HN GLY 67 -11.775 -13.374 1.524 132 HA2 GLY 67 HA2 GLY 67 -10.814 -14.070 3.601 133 HA3 GLY 67 HA1 GLY 67 -10.582 -15.670 2.915 134 H LYS 68 HN LYS 68 -9.709 -13.228 0.769 135 HA LYS 68 HA LYS 68 -6.894 -13.798 1.153 136 HB2 LYS 68 HB2 LYS 68 -7.671 -13.778 -1.126 137 HB3 LYS 68 HB1 LYS 68 -8.402 -12.193 -0.922 138 HG2 LYS 68 HG2 LYS 68 -6.332 -12.082 -2.205 139 HG3 LYS 68 HG1 LYS 68 -6.211 -11.181 -0.693 140 HD2 LYS 68 HD2 LYS 68 -5.106 -13.208 0.303 141 HD3 LYS 68 HD1 LYS 68 -5.051 -13.888 -1.324 142 HE2 LYS 68 HE2 LYS 68 -3.861 -11.221 -0.590 143 HE3 LYS 68 HE1 LYS 68 -2.951 -12.730 -0.576 144 HZ1 LYS 68 HZ1 LYS 68 -3.131 -12.939 -2.875 145 HZ2 LYS 68 HZ2 LYS 68 -2.817 -11.285 -2.645 146 HZ3 LYS 68 HZ3 LYS 68 -4.392 -11.812 -2.992 147 H THR 69 HN THR 69 -5.461 -12.473 2.079 148 HA THR 69 HA THR 69 -6.203 -10.310 3.672 149 HB THR 69 HB THR 69 -3.472 -10.881 2.497 150 HG1 THR 69 HG1 THR 69 -3.625 -11.659 5.019 151 HG21 THR 69 HG21 THR 69 -3.671 -8.640 3.479 152 HG22 THR 69 HG22 THR 69 -2.614 -9.675 4.440 153 HG23 THR 69 HG23 THR 69 -4.261 -9.354 4.981 154 H ILE 70 HN ILE 70 -6.269 -8.147 3.364 155 HA ILE 70 HA ILE 70 -6.417 -7.136 0.694 156 HB ILE 70 HB ILE 70 -6.405 -5.612 3.308 157 HG12 ILE 70 HG12 ILE 70 -8.734 -6.586 1.631 158 HG13 ILE 70 HG11 ILE 70 -8.228 -7.273 3.171 159 HG21 ILE 70 HG21 ILE 70 -7.285 -4.787 0.539 160 HG22 ILE 70 HG22 ILE 70 -5.872 -4.191 1.409 161 HG23 ILE 70 HG23 ILE 70 -7.492 -3.828 2.005 162 HD11 ILE 70 HD11 ILE 70 -9.217 -4.464 2.759 163 HD12 ILE 70 HD12 ILE 70 -8.775 -5.203 4.298 164 HD13 ILE 70 HD13 ILE 70 -10.168 -5.805 3.397 165 H GLU 71 HN GLU 71 -4.743 -6.614 -0.495 166 HA GLU 71 HA GLU 71 -2.199 -5.995 0.824 167 HB2 GLU 71 HB2 GLU 71 -2.808 -6.966 -1.966 168 HB3 GLU 71 HB1 GLU 71 -1.204 -6.486 -1.427 169 HG2 GLU 71 HG2 GLU 71 -1.157 -8.239 0.194 170 HG3 GLU 71 HG1 GLU 71 -2.831 -8.653 -0.148 171 H TYR 72 HN TYR 72 -0.923 -4.333 0.121 172 HA TYR 72 HA TYR 72 -2.275 -2.235 -1.442 173 HB2 TYR 72 HB2 TYR 72 -0.814 -2.077 1.151 174 HB3 TYR 72 HB1 TYR 72 -0.641 -0.736 0.023 175 HD1 TYR 72 HD1 TYR 72 -2.868 0.218 -0.930 176 HD2 TYR 72 HD2 TYR 72 -2.579 -2.064 2.648 177 HE1 TYR 72 HE1 TYR 72 -4.988 1.192 -0.142 178 HE2 TYR 72 HE2 TYR 72 -4.696 -1.101 3.445 179 HH TYR 72 HH TYR 72 -6.055 0.927 3.063 180 H LEU 73 HN LEU 73 -1.206 -1.560 -3.171 181 HA LEU 73 HA LEU 73 1.434 -2.581 -3.714 182 HB2 LEU 73 HB2 LEU 73 -0.598 -2.007 -5.354 183 HB3 LEU 73 HB1 LEU 73 0.204 -0.454 -5.399 184 HG LEU 73 HG LEU 73 1.293 -3.112 -6.306 185 HD11 LEU 73 HD11 LEU 73 1.553 -1.925 -8.442 186 HD12 LEU 73 HD12 LEU 73 0.797 -0.504 -7.723 187 HD13 LEU 73 HD13 LEU 73 -0.125 -1.995 -7.902 188 HD21 LEU 73 HD21 LEU 73 3.372 -1.916 -6.879 189 HD22 LEU 73 HD22 LEU 73 3.096 -2.025 -5.140 190 HD23 LEU 73 HD23 LEU 73 2.781 -0.511 -5.991 191 H VAL 74 HN VAL 74 3.008 -1.684 -2.575 192 HA VAL 74 HA VAL 74 2.928 1.162 -1.966 193 HB VAL 74 HB VAL 74 5.040 -0.843 -1.163 194 HG11 VAL 74 HG11 VAL 74 4.306 1.880 -0.107 195 HG12 VAL 74 HG12 VAL 74 5.768 1.451 -0.995 196 HG13 VAL 74 HG13 VAL 74 5.494 0.800 0.621 197 HG21 VAL 74 HG21 VAL 74 2.919 -1.618 -0.304 198 HG22 VAL 74 HG22 VAL 74 2.555 -0.012 0.328 199 HG23 VAL 74 HG23 VAL 74 3.885 -0.947 1.011 200 H LYS 75 HN LYS 75 3.883 2.573 -3.245 201 HA LYS 75 HA LYS 75 5.778 1.619 -5.249 202 HB2 LYS 75 HB2 LYS 75 3.791 3.129 -5.788 203 HB3 LYS 75 HB1 LYS 75 4.678 4.412 -4.981 204 HG2 LYS 75 HG2 LYS 75 6.432 4.308 -6.581 205 HG3 LYS 75 HG1 LYS 75 5.766 2.838 -7.296 206 HD2 LYS 75 HD2 LYS 75 3.720 4.139 -7.869 207 HD3 LYS 75 HD1 LYS 75 4.558 5.594 -7.323 208 HE2 LYS 75 HE2 LYS 75 6.299 5.215 -8.993 209 HE3 LYS 75 HE1 LYS 75 5.469 3.758 -9.534 210 HZ1 LYS 75 HZ1 LYS 75 3.559 5.147 -10.140 211 HZ2 LYS 75 HZ2 LYS 75 4.957 5.586 -10.990 212 HZ3 LYS 75 HZ3 LYS 75 4.427 6.535 -9.692 213 H TRP 76 HN TRP 76 7.666 1.385 -4.301 214 HA TRP 76 HA TRP 76 8.730 3.293 -2.408 215 HB2 TRP 76 HB2 TRP 76 10.081 0.910 -3.719 216 HB3 TRP 76 HB1 TRP 76 10.655 1.781 -2.301 217 HD1 TRP 76 HD1 TRP 76 7.628 -0.424 -3.335 218 HE1 TRP 76 HE1 TRP 76 6.826 -1.705 -1.252 219 HE3 TRP 76 HE3 TRP 76 10.812 1.563 0.117 220 HZ2 TRP 76 HZ2 TRP 76 7.466 -1.835 1.496 221 HZ3 TRP 76 HZ3 TRP 76 10.656 0.801 2.447 222 HH2 TRP 76 HH2 TRP 76 9.018 -0.869 3.121 223 H THR 77 HN THR 77 11.075 4.094 -2.865 224 HA THR 77 HA THR 77 11.265 5.263 -5.476 225 HB THR 77 HB THR 77 12.319 6.453 -3.686 226 HG1 THR 77 HG1 THR 77 14.041 5.311 -5.597 227 HG21 THR 77 HG21 THR 77 13.901 3.939 -3.182 228 HG22 THR 77 HG22 THR 77 12.714 4.692 -2.113 229 HG23 THR 77 HG23 THR 77 14.247 5.500 -2.440 230 H ASP 78 HN ASP 78 11.869 2.304 -4.110 231 HA ASP 78 HA ASP 78 13.640 1.267 -6.161 232 HB2 ASP 78 HB2 ASP 78 12.174 -0.301 -4.034 233 HB3 ASP 78 HB1 ASP 78 13.662 -0.737 -4.869 234 H MET 79 HN MET 79 10.962 2.364 -6.786 235 HA MET 79 HA MET 79 8.880 0.545 -6.782 236 HB2 MET 79 HB2 MET 79 7.796 2.022 -8.420 237 HB3 MET 79 HB1 MET 79 8.529 2.909 -7.091 238 HG2 MET 79 HG2 MET 79 10.473 3.395 -8.539 239 HG3 MET 79 HG1 MET 79 9.639 2.594 -9.869 240 HE1 MET 79 HE1 MET 79 9.982 4.798 -11.334 241 HE2 MET 79 HE2 MET 79 10.783 5.587 -9.975 242 HE3 MET 79 HE3 MET 79 9.465 6.403 -10.814 243 H SER 80 HN SER 80 11.576 0.459 -8.892 244 HA SER 80 HA SER 80 10.424 -0.724 -11.161 245 HB2 SER 80 HB2 SER 80 12.830 0.040 -10.901 246 HB3 SER 80 HB1 SER 80 13.123 -1.440 -9.989 247 HG SER 80 HG SER 80 12.871 -2.630 -11.778 248 H ASP 81 HN ASP 81 11.173 -1.938 -7.982 249 HA ASP 81 HA ASP 81 10.005 -4.537 -8.724 250 HB2 ASP 81 HB2 ASP 81 12.072 -3.855 -6.631 251 HB3 ASP 81 HB1 ASP 81 11.182 -5.372 -6.616 252 H ALA 82 HN ALA 82 8.437 -2.245 -8.117 253 HA ALA 82 HA ALA 82 7.588 -1.934 -5.500 254 HB1 ALA 82 HB1 ALA 82 6.782 -0.515 -7.311 255 HB2 ALA 82 HB2 ALA 82 5.428 -1.201 -6.408 256 HB3 ALA 82 HB3 ALA 82 5.871 -1.867 -7.982 257 H THR 83 HN THR 83 6.256 -3.016 -4.129 258 HA THR 83 HA THR 83 5.309 -5.643 -5.035 259 HB THR 83 HB THR 83 7.406 -6.004 -3.876 260 HG1 THR 83 HG1 THR 83 5.541 -6.778 -1.922 261 HG21 THR 83 HG21 THR 83 7.664 -5.429 -1.491 262 HG22 THR 83 HG22 THR 83 6.138 -4.545 -1.558 263 HG23 THR 83 HG23 THR 83 7.516 -4.002 -2.517 264 H TRP 84 HN TRP 84 3.504 -6.431 -4.124 265 HA TRP 84 HA TRP 84 1.767 -4.588 -2.742 266 HB2 TRP 84 HB2 TRP 84 1.408 -7.458 -3.633 267 HB3 TRP 84 HB1 TRP 84 0.158 -6.536 -2.803 268 HD1 TRP 84 HD1 TRP 84 2.035 -6.673 -6.154 269 HE1 TRP 84 HE1 TRP 84 0.647 -5.396 -7.915 270 HE3 TRP 84 HE3 TRP 84 -1.585 -4.763 -3.095 271 HZ2 TRP 84 HZ2 TRP 84 -1.680 -3.807 -7.982 272 HZ3 TRP 84 HZ3 TRP 84 -3.348 -3.372 -4.087 273 HH2 TRP 84 HH2 TRP 84 -3.396 -2.904 -6.479 274 H GLU 85 HN GLU 85 2.178 -4.250 -0.682 275 HA GLU 85 HA GLU 85 2.964 -6.499 1.031 276 HB2 GLU 85 HB2 GLU 85 3.096 -3.508 1.486 277 HB3 GLU 85 HB1 GLU 85 3.580 -4.719 2.664 278 HG2 GLU 85 HG2 GLU 85 4.794 -4.618 -0.060 279 HG3 GLU 85 HG1 GLU 85 5.401 -3.614 1.256 280 HA PRO 86 HA PRO 86 -1.047 -6.439 2.931 281 HB2 PRO 86 HB2 PRO 86 -0.441 -7.625 5.284 282 HB3 PRO 86 HB1 PRO 86 -0.486 -8.518 3.761 283 HG2 PRO 86 HG2 PRO 86 1.868 -7.440 5.257 284 HG3 PRO 86 HG1 PRO 86 1.685 -8.999 4.433 285 HD2 PRO 86 HD2 PRO 86 3.007 -6.862 3.341 286 HD3 PRO 86 HD1 PRO 86 2.187 -8.103 2.372 287 H GLN 87 HN GLN 87 -2.214 -5.111 4.277 288 HA GLN 87 HA GLN 87 -1.421 -2.629 4.917 289 HB2 GLN 87 HB2 GLN 87 -3.359 -4.231 6.583 290 HB3 GLN 87 HB1 GLN 87 -3.274 -2.478 6.495 291 HG2 GLN 87 HG2 GLN 87 -3.840 -2.626 4.088 292 HG3 GLN 87 HG1 GLN 87 -4.056 -4.365 4.289 293 HE21 GLN 87 HE21 GLN 87 -4.898 -2.052 6.748 294 HE22 GLN 87 HE22 GLN 87 -6.613 -2.243 6.629 295 H ASP 88 HN ASP 88 -1.263 -5.360 7.158 296 HA ASP 88 HA ASP 88 -0.511 -4.052 9.475 297 HB2 ASP 88 HB2 ASP 88 0.394 -6.793 8.575 298 HB3 ASP 88 HB1 ASP 88 0.334 -6.208 10.234 299 H ASN 89 HN ASN 89 1.420 -4.910 6.706 300 HA ASN 89 HA ASN 89 3.899 -4.176 8.094 301 HB2 ASN 89 HB2 ASN 89 3.794 -6.312 6.793 302 HB3 ASN 89 HB1 ASN 89 3.538 -5.365 5.332 303 HD21 ASN 89 HD21 ASN 89 5.249 -4.219 4.446 304 HD22 ASN 89 HD22 ASN 89 6.887 -4.485 4.929 305 H VAL 90 HN VAL 90 1.640 -3.074 5.737 306 HA VAL 90 HA VAL 90 3.338 -1.239 4.376 307 HB VAL 90 HB VAL 90 0.310 -1.174 4.629 308 HG11 VAL 90 HG11 VAL 90 0.385 0.163 2.596 309 HG12 VAL 90 HG12 VAL 90 2.148 0.098 2.595 310 HG13 VAL 90 HG13 VAL 90 1.295 0.953 3.881 311 HG21 VAL 90 HG21 VAL 90 2.071 -2.391 2.508 312 HG22 VAL 90 HG22 VAL 90 0.311 -2.288 2.461 313 HG23 VAL 90 HG23 VAL 90 1.107 -3.274 3.690 314 H ASP 91 HN ASP 91 3.837 0.816 4.807 315 HA ASP 91 HA ASP 91 3.633 1.926 7.357 316 HB2 ASP 91 HB2 ASP 91 5.289 2.594 5.618 317 HB3 ASP 91 HB1 ASP 91 3.996 3.409 4.746 318 H SER 92 HN SER 92 1.914 2.682 8.380 319 HA SER 92 HA SER 92 -0.597 2.827 7.044 320 HB2 SER 92 HB2 SER 92 -1.398 3.570 9.361 321 HB3 SER 92 HB1 SER 92 -0.664 1.970 9.246 322 HG SER 92 HG SER 92 0.542 2.711 10.807 323 H THR 93 HN THR 93 1.817 5.130 7.828 324 HA THR 93 HA THR 93 0.200 7.459 7.838 325 HB THR 93 HB THR 93 3.101 7.272 6.996 326 HG1 THR 93 HG1 THR 93 3.610 6.995 9.045 327 HG21 THR 93 HG21 THR 93 3.215 9.566 7.878 328 HG22 THR 93 HG22 THR 93 1.489 9.509 8.236 329 HG23 THR 93 HG23 THR 93 2.046 9.434 6.563 330 H LEU 94 HN LEU 94 2.041 5.746 5.354 331 HA LEU 94 HA LEU 94 1.246 7.419 3.195 332 HB2 LEU 94 HB2 LEU 94 2.203 4.555 3.194 333 HB3 LEU 94 HB1 LEU 94 2.076 5.583 1.778 334 HG LEU 94 HG LEU 94 3.842 6.245 4.127 335 HD11 LEU 94 HD11 LEU 94 4.559 4.132 3.192 336 HD12 LEU 94 HD12 LEU 94 5.695 5.414 2.764 337 HD13 LEU 94 HD13 LEU 94 4.540 4.824 1.568 338 HD21 LEU 94 HD21 LEU 94 3.225 8.130 2.719 339 HD22 LEU 94 HD22 LEU 94 3.748 7.246 1.286 340 HD23 LEU 94 HD23 LEU 94 4.929 7.725 2.506 341 H VAL 95 HN VAL 95 -0.020 4.406 4.569 342 HA VAL 95 HA VAL 95 -2.007 3.868 2.691 343 HB VAL 95 HB VAL 95 -1.907 3.331 5.654 344 HG11 VAL 95 HG11 VAL 95 -3.820 1.803 5.317 345 HG12 VAL 95 HG12 VAL 95 -4.028 2.452 3.690 346 HG13 VAL 95 HG13 VAL 95 -4.268 3.495 5.092 347 HG21 VAL 95 HG21 VAL 95 -1.703 1.614 3.205 348 HG22 VAL 95 HG22 VAL 95 -1.587 1.044 4.873 349 HG23 VAL 95 HG23 VAL 95 -0.363 2.138 4.225 350 H LEU 96 HN LEU 96 -2.073 6.007 5.495 351 HA LEU 96 HA LEU 96 -4.725 6.815 5.413 352 HB2 LEU 96 HB2 LEU 96 -2.219 8.309 6.142 353 HB3 LEU 96 HB1 LEU 96 -3.809 9.032 6.292 354 HG LEU 96 HG LEU 96 -2.830 6.576 7.748 355 HD11 LEU 96 HD11 LEU 96 -1.857 8.627 8.600 356 HD12 LEU 96 HD12 LEU 96 -3.047 7.995 9.738 357 HD13 LEU 96 HD13 LEU 96 -3.455 9.365 8.705 358 HD21 LEU 96 HD21 LEU 96 -5.474 8.016 7.942 359 HD22 LEU 96 HD22 LEU 96 -4.960 6.636 8.914 360 HD23 LEU 96 HD23 LEU 96 -5.216 6.448 7.178 361 H LEU 97 HN LEU 97 -2.019 7.743 3.400 362 HA LEU 97 HA LEU 97 -3.276 10.007 2.211 363 HB2 LEU 97 HB2 LEU 97 -1.046 8.335 1.056 364 HB3 LEU 97 HB1 LEU 97 -1.422 10.006 0.681 365 HG LEU 97 HG LEU 97 -0.371 8.982 3.318 366 HD11 LEU 97 HD11 LEU 97 1.330 8.946 1.610 367 HD12 LEU 97 HD12 LEU 97 1.633 10.279 2.724 368 HD13 LEU 97 HD13 LEU 97 0.933 10.598 1.138 369 HD21 LEU 97 HD21 LEU 97 -1.867 10.867 3.636 370 HD22 LEU 97 HD22 LEU 97 -0.986 11.790 2.417 371 HD23 LEU 97 HD23 LEU 97 -0.194 11.343 3.928 372 H TYR 98 HN TYR 98 -3.193 6.576 1.552 373 HA TYR 98 HA TYR 98 -4.394 6.902 -1.066 374 HB2 TYR 98 HB2 TYR 98 -2.820 5.039 -0.684 375 HB3 TYR 98 HB1 TYR 98 -3.919 4.365 0.519 376 HD1 TYR 98 HD2 TYR 98 -3.488 5.080 -3.084 377 HD2 TYR 98 HD1 TYR 98 -5.846 3.108 -0.140 378 HE1 TYR 98 HE2 TYR 98 -4.688 3.871 -4.860 379 HE2 TYR 98 HE1 TYR 98 -7.050 1.899 -1.906 380 HH TYR 98 HH TYR 98 -6.016 1.884 -5.182 381 H GLN 99 HN GLN 99 -5.364 5.697 2.147 382 HA GLN 99 HA GLN 99 -8.037 5.176 1.604 383 HB2 GLN 99 HB2 GLN 99 -6.815 6.377 4.086 384 HB3 GLN 99 HB1 GLN 99 -8.484 5.835 3.985 385 HG2 GLN 99 HG2 GLN 99 -7.624 3.565 3.386 386 HG3 GLN 99 HG1 GLN 99 -6.001 4.159 3.740 387 HE21 GLN 99 HE21 GLN 99 -9.101 3.285 5.082 388 HE22 GLN 99 HE22 GLN 99 -8.591 3.251 6.739 389 H GLN 100 HN GLN 100 -6.474 8.297 2.219 390 HA GLN 100 HA GLN 100 -8.913 9.768 2.155 391 HB2 GLN 100 HB2 GLN 100 -6.049 10.654 1.847 392 HB3 GLN 100 HB1 GLN 100 -7.411 11.764 1.885 393 HG2 GLN 100 HG2 GLN 100 -6.551 9.899 4.082 394 HG3 GLN 100 HG1 GLN 100 -6.374 11.652 4.053 395 HE21 GLN 100 HE21 GLN 100 -8.181 12.947 4.332 396 HE22 GLN 100 HE22 GLN 100 -9.654 12.335 5.003 397 H GLN 101 HN GLN 101 -6.955 8.428 -0.320 398 HA GLN 101 HA GLN 101 -7.811 10.227 -2.401 399 HB2 GLN 101 HB2 GLN 101 -6.497 7.509 -2.491 400 HB3 GLN 101 HB1 GLN 101 -6.917 8.424 -3.931 401 HG2 GLN 101 HG2 GLN 101 -5.443 10.231 -3.214 402 HG3 GLN 101 HG1 GLN 101 -5.016 9.310 -1.775 403 HE21 GLN 101 HE21 GLN 101 -5.515 7.835 -4.913 404 HE22 GLN 101 HE22 GLN 101 -3.856 7.421 -5.181 405 H GLN 102 HN GLN 102 -9.200 7.666 -0.713 406 HA GLN 102 HA GLN 102 -10.914 6.716 -2.813 407 HB2 GLN 102 HB2 GLN 102 -10.948 6.288 0.176 408 HB3 GLN 102 HB1 GLN 102 -12.062 5.513 -0.941 409 HG2 GLN 102 HG2 GLN 102 -9.080 5.241 -1.096 410 HG3 GLN 102 HG1 GLN 102 -10.134 4.114 -0.245 411 HE21 GLN 102 HE21 GLN 102 -9.118 5.314 -3.339 412 HE22 GLN 102 HE22 GLN 102 -9.838 4.056 -4.289 413 HA PRO 103 HA PRO 103 -14.031 9.884 -2.312 414 HB2 PRO 103 HB2 PRO 103 -15.940 8.593 -3.793 415 HB3 PRO 103 HB1 PRO 103 -14.630 9.535 -4.509 416 HG2 PRO 103 HG2 PRO 103 -14.874 6.579 -4.165 417 HG3 PRO 103 HG1 PRO 103 -14.214 7.498 -5.529 418 HD2 PRO 103 HD2 PRO 103 -12.639 6.285 -3.674 419 HD3 PRO 103 HD1 PRO 103 -12.166 7.774 -4.518 420 H MET 104 HN MET 104 -14.411 9.630 -0.152 421 HA MET 104 HA MET 104 -15.862 7.279 0.780 422 HB2 MET 104 HB2 MET 104 -13.751 7.972 1.876 423 HB3 MET 104 HB1 MET 104 -14.507 9.492 2.323 424 HG2 MET 104 HG2 MET 104 -16.142 8.269 3.678 425 HG3 MET 104 HG1 MET 104 -15.357 6.753 3.240 426 HE1 MET 104 HE1 MET 104 -15.858 7.379 6.221 427 HE2 MET 104 HE2 MET 104 -14.293 7.034 6.960 428 HE3 MET 104 HE3 MET 104 -14.928 5.976 5.698 429 H ASN 105 HN ASN 105 -17.924 7.332 1.302 430 HA ASN 105 HA ASN 105 -19.999 8.034 1.888 431 HB2 ASN 105 HB2 ASN 105 -18.442 10.409 2.896 432 HB3 ASN 105 HB1 ASN 105 -20.196 10.338 3.003 433 HD21 ASN 105 HD21 ASN 105 -18.276 7.454 3.326 434 HD22 ASN 105 HD22 ASN 105 -18.513 7.254 5.028 435 H GLU 106 HN GLU 106 -20.250 7.960 -0.458 436 HA GLU 106 HA GLU 106 -20.398 10.498 -1.844 437 HB2 GLU 106 HB2 GLU 106 -21.165 7.701 -2.691 438 HB3 GLU 106 HB1 GLU 106 -21.212 9.110 -3.740 439 HG2 GLU 106 HG2 GLU 106 -18.729 8.063 -2.406 440 HG3 GLU 106 HG1 GLU 106 -19.216 7.693 -4.060 Start of MODEL 2 1 H1 GLY 49 HT1 GLY 49 13.961 -7.746 7.240 2 H2 GLY 49 HT2 GLY 49 13.983 -6.707 8.583 3 H3 GLY 49 HT3 GLY 49 14.879 -8.151 8.608 4 HA2 GLY 49 HA1 GLY 49 16.303 -6.218 8.233 5 HA3 GLY 49 HA2 GLY 49 16.344 -7.363 6.899 6 H LEU 50 HN LEU 50 13.703 -5.123 7.586 7 HA LEU 50 HA LEU 50 14.012 -4.103 4.865 8 HB2 LEU 50 HB2 LEU 50 11.823 -4.995 5.652 9 HB3 LEU 50 HB1 LEU 50 11.753 -3.697 6.827 10 HG LEU 50 HG LEU 50 11.721 -2.053 4.969 11 HD11 LEU 50 HD11 LEU 50 11.299 -2.841 2.697 12 HD12 LEU 50 HD12 LEU 50 11.516 -4.507 3.232 13 HD13 LEU 50 HD13 LEU 50 12.871 -3.380 3.285 14 HD21 LEU 50 HD21 LEU 50 9.639 -2.804 5.977 15 HD22 LEU 50 HD22 LEU 50 9.576 -4.171 4.865 16 HD23 LEU 50 HD23 LEU 50 9.427 -2.525 4.249 17 H GLU 51 HN GLU 51 16.006 -3.142 6.340 18 HA GLU 51 HA GLU 51 15.314 -0.567 7.447 19 HB2 GLU 51 HB2 GLU 51 17.744 -0.242 7.676 20 HB3 GLU 51 HB1 GLU 51 17.219 -1.768 8.374 21 HG2 GLU 51 HG2 GLU 51 18.031 -2.961 6.431 22 HG3 GLU 51 HG1 GLU 51 18.498 -1.441 5.668 23 H TYR 52 HN TYR 52 16.282 -1.894 4.414 24 HA TYR 52 HA TYR 52 16.711 0.765 3.269 25 HB2 TYR 52 HB2 TYR 52 17.051 -1.955 1.980 26 HB3 TYR 52 HB1 TYR 52 17.507 -0.406 1.277 27 HD1 TYR 52 HD1 TYR 52 18.894 0.984 3.375 28 HD2 TYR 52 HD2 TYR 52 18.973 -3.162 2.419 29 HE1 TYR 52 HE1 TYR 52 21.121 0.799 4.397 30 HE2 TYR 52 HE2 TYR 52 21.202 -3.359 3.441 31 HH TYR 52 HH TYR 52 22.495 -1.095 5.475 32 H ALA 53 HN ALA 53 15.808 0.683 0.818 33 HA ALA 53 HA ALA 53 13.982 0.932 -0.488 34 HB1 ALA 53 HB1 ALA 53 12.178 -0.703 -0.382 35 HB2 ALA 53 HB2 ALA 53 12.786 -1.297 1.163 36 HB3 ALA 53 HB3 ALA 53 13.749 -1.501 -0.300 37 H VAL 54 HN VAL 54 13.136 2.870 -0.160 38 HA VAL 54 HA VAL 54 11.531 3.304 2.265 39 HB VAL 54 HB VAL 54 12.649 5.425 0.429 40 HG11 VAL 54 HG11 VAL 54 11.503 5.577 3.218 41 HG12 VAL 54 HG12 VAL 54 10.725 6.140 1.738 42 HG13 VAL 54 HG13 VAL 54 12.194 6.927 2.314 43 HG21 VAL 54 HG21 VAL 54 14.407 5.774 2.060 44 HG22 VAL 54 HG22 VAL 54 14.457 4.115 1.464 45 HG23 VAL 54 HG23 VAL 54 13.780 4.462 3.054 46 H ALA 55 HN ALA 55 9.465 2.830 1.828 47 HA ALA 55 HA ALA 55 8.103 3.042 -0.566 48 HB1 ALA 55 HB1 ALA 55 6.063 3.043 0.778 49 HB2 ALA 55 HB2 ALA 55 7.006 3.425 2.216 50 HB3 ALA 55 HB3 ALA 55 7.233 1.880 1.398 51 H GLU 56 HN GLU 56 7.706 4.732 -1.807 52 HA GLU 56 HA GLU 56 7.911 7.431 -0.829 53 HB2 GLU 56 HB2 GLU 56 7.125 6.356 -3.548 54 HB3 GLU 56 HB1 GLU 56 7.418 8.049 -3.180 55 HG2 GLU 56 HG2 GLU 56 9.499 5.918 -2.801 56 HG3 GLU 56 HG1 GLU 56 9.292 6.806 -4.309 57 H SER 57 HN SER 57 5.374 5.377 -2.214 58 HA SER 57 HA SER 57 3.335 6.478 -0.540 59 HB2 SER 57 HB2 SER 57 3.274 7.118 -3.496 60 HB3 SER 57 HB1 SER 57 1.883 7.268 -2.431 61 HG SER 57 HG SER 57 4.049 8.528 -1.398 62 H VAL 58 HN VAL 58 1.102 5.597 -1.418 63 HA VAL 58 HA VAL 58 1.524 2.867 -2.460 64 HB VAL 58 HB VAL 58 -0.627 3.850 -0.569 65 HG11 VAL 58 HG11 VAL 58 -1.313 1.495 -0.446 66 HG12 VAL 58 HG12 VAL 58 -0.137 1.100 -1.700 67 HG13 VAL 58 HG13 VAL 58 -1.498 2.158 -2.070 68 HG21 VAL 58 HG21 VAL 58 1.498 3.622 0.562 69 HG22 VAL 58 HG22 VAL 58 1.713 2.008 -0.111 70 HG23 VAL 58 HG23 VAL 58 0.422 2.310 1.048 71 H ILE 59 HN ILE 59 0.401 2.343 -4.302 72 HA ILE 59 HA ILE 59 -1.566 4.342 -5.222 73 HB ILE 59 HB ILE 59 -0.751 4.364 -7.427 74 HG12 ILE 59 HG12 ILE 59 -0.233 1.970 -7.691 75 HG13 ILE 59 HG11 ILE 59 1.076 2.985 -8.276 76 HG21 ILE 59 HG21 ILE 59 0.497 5.777 -5.924 77 HG22 ILE 59 HG22 ILE 59 1.558 5.152 -7.190 78 HG23 ILE 59 HG23 ILE 59 1.612 4.457 -5.569 79 HD11 ILE 59 HD11 ILE 59 2.003 1.123 -7.122 80 HD12 ILE 59 HD12 ILE 59 0.986 1.422 -5.713 81 HD13 ILE 59 HD13 ILE 59 2.267 2.562 -6.136 82 H GLY 60 HN GLY 60 -1.151 1.159 -4.448 83 HA2 GLY 60 HA2 GLY 60 -3.439 0.414 -6.138 84 HA3 GLY 60 HA1 GLY 60 -2.036 -0.637 -6.066 85 H LYS 61 HN LYS 61 -4.765 -1.263 -5.316 86 HA LYS 61 HA LYS 61 -4.244 -2.186 -2.597 87 HB2 LYS 61 HB2 LYS 61 -5.457 -0.045 -2.356 88 HB3 LYS 61 HB1 LYS 61 -6.744 -0.669 -3.377 89 HG2 LYS 61 HG2 LYS 61 -7.152 -2.442 -1.702 90 HG3 LYS 61 HG1 LYS 61 -5.944 -1.686 -0.660 91 HD2 LYS 61 HD2 LYS 61 -7.276 0.401 -0.709 92 HD3 LYS 61 HD1 LYS 61 -8.509 -0.443 -1.646 93 HE2 LYS 61 HE2 LYS 61 -8.721 -2.072 0.219 94 HE3 LYS 61 HE1 LYS 61 -7.598 -1.085 1.151 95 HZ1 LYS 61 HZ1 LYS 61 -10.238 -0.192 0.113 96 HZ2 LYS 61 HZ2 LYS 61 -9.157 0.753 1.017 97 HZ3 LYS 61 HZ3 LYS 61 -9.889 -0.600 1.723 98 H ARG 62 HN ARG 62 -4.974 -4.235 -2.295 99 HA ARG 62 HA ARG 62 -7.147 -5.175 -4.045 100 HB2 ARG 62 HB2 ARG 62 -4.651 -6.704 -3.285 101 HB3 ARG 62 HB1 ARG 62 -6.078 -7.448 -3.993 102 HG2 ARG 62 HG2 ARG 62 -4.377 -5.326 -5.274 103 HG3 ARG 62 HG1 ARG 62 -4.377 -7.046 -5.672 104 HD2 ARG 62 HD2 ARG 62 -6.617 -6.937 -6.475 105 HD3 ARG 62 HD1 ARG 62 -6.815 -5.302 -5.849 106 HE ARG 62 HE ARG 62 -4.849 -5.868 -7.972 107 HH11 ARG 62 HH11 ARG 62 -7.721 -4.198 -6.852 108 HH12 ARG 62 HH12 ARG 62 -7.774 -3.100 -8.193 109 HH21 ARG 62 HH21 ARG 62 -4.901 -4.437 -9.753 110 HH22 ARG 62 HH22 ARG 62 -6.164 -3.245 -9.858 111 H VAL 63 HN VAL 63 -8.823 -5.376 -2.763 112 HA VAL 63 HA VAL 63 -8.506 -6.501 -0.071 113 HB VAL 63 HB VAL 63 -10.977 -5.385 -1.421 114 HG11 VAL 63 HG11 VAL 63 -11.518 -6.996 0.317 115 HG12 VAL 63 HG12 VAL 63 -11.938 -5.364 0.836 116 HG13 VAL 63 HG13 VAL 63 -10.481 -6.141 1.457 117 HG21 VAL 63 HG21 VAL 63 -10.658 -3.444 0.063 118 HG22 VAL 63 HG22 VAL 63 -9.346 -3.635 -1.098 119 HG23 VAL 63 HG23 VAL 63 -9.113 -4.118 0.581 120 H GLY 64 HN GLY 64 -8.753 -8.668 0.158 121 HA2 GLY 64 HA2 GLY 64 -9.642 -10.322 -1.952 122 HA3 GLY 64 HA1 GLY 64 -9.457 -10.814 -0.271 123 H ASP 65 HN ASP 65 -11.607 -10.756 -2.650 124 HA ASP 65 HA ASP 65 -13.868 -9.497 -1.476 125 HB2 ASP 65 HB2 ASP 65 -13.784 -11.603 -3.647 126 HB3 ASP 65 HB1 ASP 65 -15.151 -10.563 -3.266 127 H ASP 66 HN ASP 66 -12.472 -12.675 -1.307 128 HA ASP 66 HA ASP 66 -14.821 -13.741 0.072 129 HB2 ASP 66 HB2 ASP 66 -13.687 -15.096 -1.671 130 HB3 ASP 66 HB1 ASP 66 -12.225 -15.102 -0.690 131 H GLY 67 HN GLY 67 -12.330 -11.873 0.947 132 HA2 GLY 67 HA2 GLY 67 -12.031 -11.405 3.316 133 HA3 GLY 67 HA1 GLY 67 -12.132 -13.136 3.611 134 H LYS 68 HN LYS 68 -10.381 -12.564 0.850 135 HA LYS 68 HA LYS 68 -7.922 -13.442 1.868 136 HB2 LYS 68 HB2 LYS 68 -8.926 -13.366 -0.561 137 HB3 LYS 68 HB1 LYS 68 -8.180 -11.780 -0.627 138 HG2 LYS 68 HG2 LYS 68 -6.595 -14.207 0.109 139 HG3 LYS 68 HG1 LYS 68 -6.906 -13.790 -1.575 140 HD2 LYS 68 HD2 LYS 68 -5.954 -11.507 -1.033 141 HD3 LYS 68 HD1 LYS 68 -5.402 -12.209 0.490 142 HE2 LYS 68 HE2 LYS 68 -4.175 -13.931 -0.774 143 HE3 LYS 68 HE1 LYS 68 -4.686 -13.170 -2.280 144 HZ1 LYS 68 HZ1 LYS 68 -3.540 -11.109 -1.432 145 HZ2 LYS 68 HZ2 LYS 68 -2.530 -12.393 -1.853 146 HZ3 LYS 68 HZ3 LYS 68 -2.855 -12.080 -0.221 147 H THR 69 HN THR 69 -6.010 -12.272 2.317 148 HA THR 69 HA THR 69 -6.373 -10.005 3.883 149 HB THR 69 HB THR 69 -3.775 -10.881 2.621 150 HG1 THR 69 HG1 THR 69 -3.592 -12.192 4.534 151 HG21 THR 69 HG21 THR 69 -4.347 -9.476 5.232 152 HG22 THR 69 HG22 THR 69 -3.738 -8.700 3.771 153 HG23 THR 69 HG23 THR 69 -2.756 -9.908 4.603 154 H ILE 70 HN ILE 70 -6.199 -7.862 3.570 155 HA ILE 70 HA ILE 70 -6.320 -6.858 0.884 156 HB ILE 70 HB ILE 70 -6.212 -5.341 3.499 157 HG12 ILE 70 HG12 ILE 70 -8.589 -6.177 1.819 158 HG13 ILE 70 HG11 ILE 70 -8.138 -6.875 3.371 159 HG21 ILE 70 HG21 ILE 70 -7.045 -4.460 0.737 160 HG22 ILE 70 HG22 ILE 70 -5.594 -3.955 1.602 161 HG23 ILE 70 HG23 ILE 70 -7.185 -3.493 2.204 162 HD11 ILE 70 HD11 ILE 70 -9.980 -5.303 3.587 163 HD12 ILE 70 HD12 ILE 70 -8.978 -4.023 2.904 164 HD13 ILE 70 HD13 ILE 70 -8.554 -4.737 4.459 165 H GLU 71 HN GLU 71 -4.562 -6.572 -0.284 166 HA GLU 71 HA GLU 71 -2.054 -5.840 1.063 167 HB2 GLU 71 HB2 GLU 71 -2.544 -7.106 -1.635 168 HB3 GLU 71 HB1 GLU 71 -0.960 -6.653 -1.014 169 HG2 GLU 71 HG2 GLU 71 -0.990 -8.297 0.618 170 HG3 GLU 71 HG1 GLU 71 -2.739 -8.480 0.529 171 H TYR 72 HN TYR 72 -0.668 -4.340 0.015 172 HA TYR 72 HA TYR 72 -2.106 -2.388 -1.654 173 HB2 TYR 72 HB2 TYR 72 -0.469 -1.952 0.814 174 HB3 TYR 72 HB1 TYR 72 -0.541 -0.697 -0.419 175 HD1 TYR 72 HD2 TYR 72 -2.797 0.155 -1.129 176 HD2 TYR 72 HD1 TYR 72 -2.211 -2.190 2.375 177 HE1 TYR 72 HE2 TYR 72 -4.946 0.959 -0.229 178 HE2 TYR 72 HE1 TYR 72 -4.359 -1.399 3.277 179 HH TYR 72 HH TYR 72 -5.894 0.484 3.017 180 H LEU 73 HN LEU 73 -1.122 -1.807 -3.447 181 HA LEU 73 HA LEU 73 1.527 -2.759 -4.059 182 HB2 LEU 73 HB2 LEU 73 -0.567 -2.303 -5.632 183 HB3 LEU 73 HB1 LEU 73 0.133 -0.704 -5.718 184 HG LEU 73 HG LEU 73 1.373 -3.297 -6.637 185 HD11 LEU 73 HD11 LEU 73 0.648 -0.773 -8.104 186 HD12 LEU 73 HD12 LEU 73 -0.222 -2.305 -8.169 187 HD13 LEU 73 HD13 LEU 73 1.418 -2.194 -8.808 188 HD21 LEU 73 HD21 LEU 73 2.666 -0.582 -6.494 189 HD22 LEU 73 HD22 LEU 73 3.329 -1.992 -7.322 190 HD23 LEU 73 HD23 LEU 73 3.122 -2.014 -5.568 191 H VAL 74 HN VAL 74 3.189 -1.782 -3.161 192 HA VAL 74 HA VAL 74 2.921 1.019 -2.370 193 HB VAL 74 HB VAL 74 5.076 -0.935 -1.564 194 HG11 VAL 74 HG11 VAL 74 4.205 1.712 -0.415 195 HG12 VAL 74 HG12 VAL 74 5.695 1.392 -1.302 196 HG13 VAL 74 HG13 VAL 74 5.432 0.652 0.277 197 HG21 VAL 74 HG21 VAL 74 2.895 -1.771 -0.850 198 HG22 VAL 74 HG22 VAL 74 2.538 -0.218 -0.094 199 HG23 VAL 74 HG23 VAL 74 3.846 -1.223 0.530 200 H LYS 75 HN LYS 75 3.938 2.553 -3.419 201 HA LYS 75 HA LYS 75 5.866 1.845 -5.486 202 HB2 LYS 75 HB2 LYS 75 3.919 3.478 -5.820 203 HB3 LYS 75 HB1 LYS 75 4.799 4.588 -4.781 204 HG2 LYS 75 HG2 LYS 75 5.260 5.236 -6.989 205 HG3 LYS 75 HG1 LYS 75 6.710 4.412 -6.411 206 HD2 LYS 75 HD2 LYS 75 6.154 2.430 -7.621 207 HD3 LYS 75 HD1 LYS 75 4.554 3.058 -8.026 208 HE2 LYS 75 HE2 LYS 75 5.655 4.874 -9.311 209 HE3 LYS 75 HE1 LYS 75 7.212 4.117 -8.984 210 HZ1 LYS 75 HZ1 LYS 75 6.498 2.160 -10.191 211 HZ2 LYS 75 HZ2 LYS 75 6.326 3.535 -11.173 212 HZ3 LYS 75 HZ3 LYS 75 4.963 2.839 -10.448 213 H TRP 76 HN TRP 76 7.720 1.359 -4.367 214 HA TRP 76 HA TRP 76 8.706 3.068 -2.258 215 HB2 TRP 76 HB2 TRP 76 10.094 0.789 -3.700 216 HB3 TRP 76 HB1 TRP 76 10.598 1.519 -2.182 217 HD1 TRP 76 HD1 TRP 76 7.700 -0.617 -3.600 218 HE1 TRP 76 HE1 TRP 76 6.726 -2.022 -1.678 219 HE3 TRP 76 HE3 TRP 76 10.478 1.239 0.256 220 HZ2 TRP 76 HZ2 TRP 76 7.092 -2.292 1.106 221 HZ3 TRP 76 HZ3 TRP 76 10.107 0.348 2.516 222 HH2 TRP 76 HH2 TRP 76 8.446 -1.388 2.929 223 H THR 77 HN THR 77 11.006 3.990 -2.436 224 HA THR 77 HA THR 77 11.494 5.270 -4.946 225 HB THR 77 HB THR 77 12.299 6.315 -2.913 226 HG1 THR 77 HG1 THR 77 14.723 5.531 -4.106 227 HG21 THR 77 HG21 THR 77 12.695 4.337 -1.561 228 HG22 THR 77 HG22 THR 77 14.128 5.364 -1.587 229 HG23 THR 77 HG23 THR 77 14.076 3.899 -2.569 230 H ASP 78 HN ASP 78 12.214 2.283 -3.523 231 HA ASP 78 HA ASP 78 14.042 1.342 -5.545 232 HB2 ASP 78 HB2 ASP 78 12.545 -0.061 -3.322 233 HB3 ASP 78 HB1 ASP 78 13.659 -0.870 -4.418 234 H MET 79 HN MET 79 11.473 2.425 -6.390 235 HA MET 79 HA MET 79 9.352 0.659 -6.557 236 HB2 MET 79 HB2 MET 79 8.456 2.149 -8.289 237 HB3 MET 79 HB1 MET 79 9.116 3.040 -6.925 238 HG2 MET 79 HG2 MET 79 11.170 3.457 -8.221 239 HG3 MET 79 HG1 MET 79 10.449 2.620 -9.594 240 HE1 MET 79 HE1 MET 79 10.280 5.759 -7.249 241 HE2 MET 79 HE2 MET 79 8.709 4.997 -7.007 242 HE3 MET 79 HE3 MET 79 8.815 6.553 -7.829 243 H SER 80 HN SER 80 12.238 0.376 -8.348 244 HA SER 80 HA SER 80 11.273 -0.810 -10.707 245 HB2 SER 80 HB2 SER 80 13.668 -0.205 -10.247 246 HB3 SER 80 HB1 SER 80 13.766 -1.592 -9.163 247 HG SER 80 HG SER 80 13.408 -2.958 -10.909 248 H ASP 81 HN ASP 81 11.348 -1.853 -7.425 249 HA ASP 81 HA ASP 81 10.254 -4.474 -8.205 250 HB2 ASP 81 HB2 ASP 81 11.899 -3.671 -5.815 251 HB3 ASP 81 HB1 ASP 81 10.888 -5.111 -5.784 252 H ALA 82 HN ALA 82 8.631 -2.142 -8.122 253 HA ALA 82 HA ALA 82 7.228 -1.645 -5.793 254 HB1 ALA 82 HB1 ALA 82 6.111 -1.844 -8.588 255 HB2 ALA 82 HB2 ALA 82 6.774 -0.401 -7.819 256 HB3 ALA 82 HB3 ALA 82 5.279 -1.119 -7.210 257 H THR 83 HN THR 83 6.122 -2.892 -4.457 258 HA THR 83 HA THR 83 5.210 -5.511 -5.441 259 HB THR 83 HB THR 83 7.314 -5.929 -4.385 260 HG1 THR 83 HG1 THR 83 5.949 -6.696 -2.152 261 HG21 THR 83 HG21 THR 83 7.852 -5.242 -2.116 262 HG22 THR 83 HG22 THR 83 6.291 -4.434 -1.976 263 HG23 THR 83 HG23 THR 83 7.494 -3.833 -3.119 264 H TRP 84 HN TRP 84 3.450 -6.410 -4.443 265 HA TRP 84 HA TRP 84 1.717 -4.646 -2.958 266 HB2 TRP 84 HB2 TRP 84 1.398 -7.542 -3.787 267 HB3 TRP 84 HB1 TRP 84 0.150 -6.593 -2.992 268 HD1 TRP 84 HD1 TRP 84 1.983 -6.892 -6.352 269 HE1 TRP 84 HE1 TRP 84 0.556 -5.729 -8.157 270 HE3 TRP 84 HE3 TRP 84 -1.597 -4.835 -3.356 271 HZ2 TRP 84 HZ2 TRP 84 -1.763 -4.145 -8.289 272 HZ3 TRP 84 HZ3 TRP 84 -3.384 -3.504 -4.400 273 HH2 TRP 84 HH2 TRP 84 -3.464 -3.169 -6.813 274 H GLU 85 HN GLU 85 2.264 -4.318 -0.911 275 HA GLU 85 HA GLU 85 3.235 -6.590 0.673 276 HB2 GLU 85 HB2 GLU 85 3.480 -3.611 1.130 277 HB3 GLU 85 HB1 GLU 85 4.033 -4.836 2.265 278 HG2 GLU 85 HG2 GLU 85 5.016 -4.496 -0.546 279 HG3 GLU 85 HG1 GLU 85 5.851 -3.935 0.899 280 HA PRO 86 HA PRO 86 -0.430 -6.547 3.124 281 HB2 PRO 86 HB2 PRO 86 0.514 -7.549 5.449 282 HB3 PRO 86 HB1 PRO 86 0.359 -8.532 3.989 283 HG2 PRO 86 HG2 PRO 86 2.791 -7.246 5.158 284 HG3 PRO 86 HG1 PRO 86 2.616 -8.847 4.419 285 HD2 PRO 86 HD2 PRO 86 3.660 -6.665 3.117 286 HD3 PRO 86 HD1 PRO 86 2.869 -8.025 2.296 287 H GLN 87 HN GLN 87 -1.519 -5.187 4.431 288 HA GLN 87 HA GLN 87 -0.890 -2.628 4.838 289 HB2 GLN 87 HB2 GLN 87 -2.564 -4.347 6.661 290 HB3 GLN 87 HB1 GLN 87 -2.562 -2.592 6.689 291 HG2 GLN 87 HG2 GLN 87 -3.478 -2.488 4.489 292 HG3 GLN 87 HG1 GLN 87 -3.301 -4.232 4.281 293 HE21 GLN 87 HE21 GLN 87 -5.686 -2.487 4.187 294 HE22 GLN 87 HE22 GLN 87 -6.793 -3.145 5.345 295 H ASP 88 HN ASP 88 -0.332 -5.134 7.294 296 HA ASP 88 HA ASP 88 0.509 -3.415 9.340 297 HB2 ASP 88 HB2 ASP 88 0.984 -6.342 8.831 298 HB3 ASP 88 HB1 ASP 88 1.615 -5.535 10.262 299 H ASN 89 HN ASN 89 2.274 -4.770 6.657 300 HA ASN 89 HA ASN 89 4.844 -3.873 7.690 301 HB2 ASN 89 HB2 ASN 89 4.722 -5.922 6.310 302 HB3 ASN 89 HB1 ASN 89 4.097 -4.973 4.965 303 HD21 ASN 89 HD21 ASN 89 5.680 -5.054 3.500 304 HD22 ASN 89 HD22 ASN 89 7.322 -4.599 3.789 305 H VAL 90 HN VAL 90 2.384 -2.931 5.413 306 HA VAL 90 HA VAL 90 3.867 -0.970 4.011 307 HB VAL 90 HB VAL 90 0.860 -1.155 4.332 308 HG11 VAL 90 HG11 VAL 90 0.808 0.031 2.196 309 HG12 VAL 90 HG12 VAL 90 2.569 0.127 2.204 310 HG13 VAL 90 HG13 VAL 90 1.634 0.983 3.431 311 HG21 VAL 90 HG21 VAL 90 2.653 -2.379 2.240 312 HG22 VAL 90 HG22 VAL 90 0.890 -2.426 2.258 313 HG23 VAL 90 HG23 VAL 90 1.806 -3.252 3.518 314 H ASP 91 HN ASP 91 4.144 1.159 4.344 315 HA ASP 91 HA ASP 91 3.997 2.250 6.898 316 HB2 ASP 91 HB2 ASP 91 5.524 3.136 5.235 317 HB3 ASP 91 HB1 ASP 91 4.173 3.666 4.235 318 H SER 92 HN SER 92 2.495 3.157 8.037 319 HA SER 92 HA SER 92 -0.206 2.988 7.182 320 HB2 SER 92 HB2 SER 92 -0.709 3.890 9.455 321 HB3 SER 92 HB1 SER 92 0.383 2.505 9.484 322 HG SER 92 HG SER 92 2.134 4.012 9.652 323 H THR 93 HN THR 93 2.123 5.536 7.290 324 HA THR 93 HA THR 93 0.327 7.735 7.332 325 HB THR 93 HB THR 93 3.124 7.635 6.174 326 HG1 THR 93 HG1 THR 93 2.212 7.434 8.736 327 HG21 THR 93 HG21 THR 93 1.850 9.650 5.572 328 HG22 THR 93 HG22 THR 93 3.167 10.028 6.684 329 HG23 THR 93 HG23 THR 93 1.509 9.939 7.278 330 H LEU 94 HN LEU 94 2.095 6.085 4.740 331 HA LEU 94 HA LEU 94 0.945 7.544 2.611 332 HB2 LEU 94 HB2 LEU 94 2.018 4.729 2.530 333 HB3 LEU 94 HB1 LEU 94 1.889 5.848 1.180 334 HG LEU 94 HG LEU 94 3.658 6.303 3.578 335 HD11 LEU 94 HD11 LEU 94 4.407 4.332 2.420 336 HD12 LEU 94 HD12 LEU 94 5.507 5.672 2.087 337 HD13 LEU 94 HD13 LEU 94 4.330 5.172 0.870 338 HD21 LEU 94 HD21 LEU 94 4.718 7.971 2.128 339 HD22 LEU 94 HD22 LEU 94 3.019 8.341 2.423 340 HD23 LEU 94 HD23 LEU 94 3.516 7.644 0.880 341 H VAL 95 HN VAL 95 0.116 4.458 4.138 342 HA VAL 95 HA VAL 95 -1.973 3.698 2.465 343 HB VAL 95 HB VAL 95 -1.510 3.201 5.402 344 HG11 VAL 95 HG11 VAL 95 -3.719 2.052 3.690 345 HG12 VAL 95 HG12 VAL 95 -3.932 3.142 5.060 346 HG13 VAL 95 HG13 VAL 95 -3.296 1.516 5.316 347 HG21 VAL 95 HG21 VAL 95 -1.393 1.477 2.947 348 HG22 VAL 95 HG22 VAL 95 -1.028 0.953 4.594 349 HG23 VAL 95 HG23 VAL 95 -0.013 2.161 3.805 350 H LEU 96 HN LEU 96 -2.037 5.777 5.321 351 HA LEU 96 HA LEU 96 -4.778 6.242 5.439 352 HB2 LEU 96 HB2 LEU 96 -3.154 6.942 7.152 353 HB3 LEU 96 HB1 LEU 96 -2.523 8.151 6.054 354 HG LEU 96 HG LEU 96 -4.710 9.306 6.089 355 HD11 LEU 96 HD11 LEU 96 -5.417 7.303 8.225 356 HD12 LEU 96 HD12 LEU 96 -6.093 7.342 6.597 357 HD13 LEU 96 HD13 LEU 96 -6.395 8.678 7.708 358 HD21 LEU 96 HD21 LEU 96 -4.514 10.195 8.354 359 HD22 LEU 96 HD22 LEU 96 -2.927 9.990 7.610 360 HD23 LEU 96 HD23 LEU 96 -3.498 8.827 8.807 361 H LEU 97 HN LEU 97 -2.334 7.505 3.303 362 HA LEU 97 HA LEU 97 -3.909 9.700 2.315 363 HB2 LEU 97 HB2 LEU 97 -1.468 8.432 1.065 364 HB3 LEU 97 HB1 LEU 97 -2.098 10.043 0.760 365 HG LEU 97 HG LEU 97 -0.865 9.078 3.337 366 HD11 LEU 97 HD11 LEU 97 0.128 11.034 1.273 367 HD12 LEU 97 HD12 LEU 97 0.754 9.408 1.548 368 HD13 LEU 97 HD13 LEU 97 0.922 10.642 2.797 369 HD21 LEU 97 HD21 LEU 97 -1.078 11.382 4.089 370 HD22 LEU 97 HD22 LEU 97 -2.658 10.688 3.728 371 HD23 LEU 97 HD23 LEU 97 -1.906 11.806 2.591 372 H TYR 98 HN TYR 98 -3.485 6.355 1.558 373 HA TYR 98 HA TYR 98 -4.743 6.646 -1.049 374 HB2 TYR 98 HB2 TYR 98 -2.895 4.976 -0.652 375 HB3 TYR 98 HB1 TYR 98 -4.015 4.073 0.366 376 HD1 TYR 98 HD1 TYR 98 -3.275 5.135 -3.076 377 HD2 TYR 98 HD2 TYR 98 -5.805 2.782 -0.600 378 HE1 TYR 98 HE1 TYR 98 -4.165 4.011 -5.071 379 HE2 TYR 98 HE2 TYR 98 -6.707 1.650 -2.587 380 HH TYR 98 HH TYR 98 -5.276 2.003 -5.702 381 H GLN 99 HN GLN 99 -5.428 5.163 2.102 382 HA GLN 99 HA GLN 99 -8.024 4.271 1.465 383 HB2 GLN 99 HB2 GLN 99 -6.893 5.036 4.157 384 HB3 GLN 99 HB1 GLN 99 -8.385 4.139 3.901 385 HG2 GLN 99 HG2 GLN 99 -6.956 2.449 2.643 386 HG3 GLN 99 HG1 GLN 99 -5.570 3.274 3.352 387 HE21 GLN 99 HE21 GLN 99 -7.083 3.863 5.834 388 HE22 GLN 99 HE22 GLN 99 -7.123 2.361 6.700 389 H GLN 100 HN GLN 100 -6.853 7.424 2.516 390 HA GLN 100 HA GLN 100 -9.398 8.503 3.123 391 HB2 GLN 100 HB2 GLN 100 -8.372 10.637 3.103 392 HB3 GLN 100 HB1 GLN 100 -7.143 9.523 3.687 393 HG2 GLN 100 HG2 GLN 100 -6.153 9.465 1.441 394 HG3 GLN 100 HG1 GLN 100 -7.354 10.637 0.899 395 HE21 GLN 100 HE21 GLN 100 -5.872 10.693 4.055 396 HE22 GLN 100 HE22 GLN 100 -4.971 12.148 3.818 397 H GLN 101 HN GLN 101 -7.923 7.627 0.180 398 HA GLN 101 HA GLN 101 -9.690 9.340 -1.406 399 HB2 GLN 101 HB2 GLN 101 -7.429 7.516 -2.245 400 HB3 GLN 101 HB1 GLN 101 -8.365 8.527 -3.336 401 HG2 GLN 101 HG2 GLN 101 -7.557 10.521 -2.176 402 HG3 GLN 101 HG1 GLN 101 -6.615 9.502 -1.089 403 HE21 GLN 101 HE21 GLN 101 -5.900 7.621 -3.215 404 HE22 GLN 101 HE22 GLN 101 -4.708 8.421 -4.176 405 H GLN 102 HN GLN 102 -10.040 6.578 0.145 406 HA GLN 102 HA GLN 102 -11.187 4.959 -1.975 407 HB2 GLN 102 HB2 GLN 102 -11.022 4.561 1.021 408 HB3 GLN 102 HB1 GLN 102 -11.750 3.406 -0.086 409 HG2 GLN 102 HG2 GLN 102 -8.882 4.312 -0.186 410 HG3 GLN 102 HG1 GLN 102 -9.447 2.822 0.566 411 HE21 GLN 102 HE21 GLN 102 -8.885 4.484 -2.430 412 HE22 GLN 102 HE22 GLN 102 -9.046 3.101 -3.454 413 HA PRO 103 HA PRO 103 -15.328 6.463 -1.517 414 HB2 PRO 103 HB2 PRO 103 -16.321 3.751 -2.032 415 HB3 PRO 103 HB1 PRO 103 -16.479 5.205 -3.021 416 HG2 PRO 103 HG2 PRO 103 -14.897 3.141 -3.741 417 HG3 PRO 103 HG1 PRO 103 -14.500 4.823 -4.135 418 HD2 PRO 103 HD2 PRO 103 -13.404 3.076 -1.963 419 HD3 PRO 103 HD1 PRO 103 -12.561 4.230 -3.019 420 H MET 104 HN MET 104 -15.406 6.878 0.655 421 HA MET 104 HA MET 104 -15.743 4.847 2.636 422 HB2 MET 104 HB2 MET 104 -14.691 7.072 3.028 423 HB3 MET 104 HB1 MET 104 -16.269 7.816 2.823 424 HG2 MET 104 HG2 MET 104 -17.106 6.794 4.792 425 HG3 MET 104 HG1 MET 104 -15.700 5.739 4.919 426 HE1 MET 104 HE1 MET 104 -13.281 6.560 5.650 427 HE2 MET 104 HE2 MET 104 -12.865 8.260 5.861 428 HE3 MET 104 HE3 MET 104 -13.319 7.656 4.268 429 H ASN 105 HN ASN 105 -17.833 6.769 0.654 430 HA ASN 105 HA ASN 105 -20.090 5.174 1.665 431 HB2 ASN 105 HB2 ASN 105 -20.419 7.548 2.263 432 HB3 ASN 105 HB1 ASN 105 -20.229 7.998 0.572 433 HD21 ASN 105 HD21 ASN 105 -22.247 8.899 0.438 434 HD22 ASN 105 HD22 ASN 105 -23.706 7.962 0.450 435 H GLU 106 HN GLU 106 -19.405 7.293 -1.108 436 HA GLU 106 HA GLU 106 -18.977 5.164 -2.915 437 HB2 GLU 106 HB2 GLU 106 -21.482 5.025 -2.631 438 HB3 GLU 106 HB1 GLU 106 -21.587 6.641 -3.316 439 HG2 GLU 106 HG2 GLU 106 -22.060 4.999 -5.010 440 HG3 GLU 106 HG1 GLU 106 -20.544 5.817 -5.382 Start of MODEL 3 1 H1 GLY 49 HT1 GLY 49 20.389 4.930 -7.436 2 H2 GLY 49 HT2 GLY 49 18.947 4.054 -7.245 3 H3 GLY 49 HT3 GLY 49 19.727 4.094 -8.750 4 HA2 GLY 49 HA1 GLY 49 20.111 1.985 -7.643 5 HA3 GLY 49 HA2 GLY 49 21.604 2.885 -7.881 6 H LEU 50 HN LEU 50 19.127 2.023 -5.533 7 HA LEU 50 HA LEU 50 21.125 2.447 -3.402 8 HB2 LEU 50 HB2 LEU 50 18.146 2.923 -3.308 9 HB3 LEU 50 HB1 LEU 50 19.166 2.868 -1.883 10 HG LEU 50 HG LEU 50 19.394 4.873 -4.131 11 HD11 LEU 50 HD11 LEU 50 18.421 5.193 -1.293 12 HD12 LEU 50 HD12 LEU 50 17.409 5.197 -2.738 13 HD13 LEU 50 HD13 LEU 50 18.592 6.481 -2.488 14 HD21 LEU 50 HD21 LEU 50 21.560 4.391 -3.148 15 HD22 LEU 50 HD22 LEU 50 20.902 4.634 -1.530 16 HD23 LEU 50 HD23 LEU 50 21.006 5.991 -2.652 17 H GLU 51 HN GLU 51 21.309 0.860 -1.880 18 HA GLU 51 HA GLU 51 20.190 -1.711 -2.579 19 HB2 GLU 51 HB2 GLU 51 22.012 -0.966 -0.285 20 HB3 GLU 51 HB1 GLU 51 21.645 -2.597 -0.833 21 HG2 GLU 51 HG2 GLU 51 22.677 -2.044 -3.013 22 HG3 GLU 51 HG1 GLU 51 23.140 -0.475 -2.353 23 H TYR 52 HN TYR 52 19.131 0.848 -0.871 24 HA TYR 52 HA TYR 52 17.445 -0.824 0.864 25 HB2 TYR 52 HB2 TYR 52 18.203 2.089 1.192 26 HB3 TYR 52 HB1 TYR 52 17.084 1.212 2.228 27 HD1 TYR 52 HD2 TYR 52 17.913 -0.562 3.732 28 HD2 TYR 52 HD1 TYR 52 20.579 1.835 1.438 29 HE1 TYR 52 HE2 TYR 52 19.782 -1.281 5.160 30 HE2 TYR 52 HE1 TYR 52 22.453 1.122 2.860 31 HH TYR 52 HH TYR 52 22.210 -1.481 5.055 32 H ALA 53 HN ALA 53 15.287 0.501 1.283 33 HA ALA 53 HA ALA 53 14.373 1.676 -1.222 34 HB1 ALA 53 HB1 ALA 53 13.030 -0.703 0.049 35 HB2 ALA 53 HB2 ALA 53 13.974 -0.725 -1.440 36 HB3 ALA 53 HB3 ALA 53 12.463 0.182 -1.370 37 H VAL 54 HN VAL 54 13.143 3.370 -0.861 38 HA VAL 54 HA VAL 54 11.807 3.632 1.746 39 HB VAL 54 HB VAL 54 12.404 5.833 -0.247 40 HG11 VAL 54 HG11 VAL 54 11.471 5.949 2.621 41 HG12 VAL 54 HG12 VAL 54 10.498 6.304 1.193 42 HG13 VAL 54 HG13 VAL 54 11.865 7.338 1.608 43 HG21 VAL 54 HG21 VAL 54 13.880 5.121 2.286 44 HG22 VAL 54 HG22 VAL 54 14.168 6.551 1.295 45 HG23 VAL 54 HG23 VAL 54 14.488 4.944 0.641 46 H ALA 55 HN ALA 55 9.700 3.183 1.697 47 HA ALA 55 HA ALA 55 8.153 2.990 -0.653 48 HB1 ALA 55 HB1 ALA 55 7.569 1.790 1.380 49 HB2 ALA 55 HB2 ALA 55 6.233 2.826 0.876 50 HB3 ALA 55 HB3 ALA 55 7.272 3.318 2.213 51 H GLU 56 HN GLU 56 7.597 4.611 -1.923 52 HA GLU 56 HA GLU 56 7.622 7.343 -1.054 53 HB2 GLU 56 HB2 GLU 56 6.588 6.180 -3.649 54 HB3 GLU 56 HB1 GLU 56 6.942 7.873 -3.341 55 HG2 GLU 56 HG2 GLU 56 9.315 7.267 -2.989 56 HG3 GLU 56 HG1 GLU 56 8.920 5.608 -3.430 57 H SER 57 HN SER 57 5.082 5.193 -2.304 58 HA SER 57 HA SER 57 3.135 6.143 -0.439 59 HB2 SER 57 HB2 SER 57 2.837 6.930 -3.353 60 HB3 SER 57 HB1 SER 57 1.545 7.023 -2.160 61 HG SER 57 HG SER 57 3.836 8.269 -1.340 62 H VAL 58 HN VAL 58 0.956 5.147 -0.956 63 HA VAL 58 HA VAL 58 1.305 2.497 -2.151 64 HB VAL 58 HB VAL 58 -1.018 3.598 -0.549 65 HG11 VAL 58 HG11 VAL 58 -1.652 1.794 -2.080 66 HG12 VAL 58 HG12 VAL 58 -1.751 1.279 -0.396 67 HG13 VAL 58 HG13 VAL 58 -0.389 0.771 -1.394 68 HG21 VAL 58 HG21 VAL 58 1.225 1.767 0.296 69 HG22 VAL 58 HG22 VAL 58 -0.172 2.204 1.281 70 HG23 VAL 58 HG23 VAL 58 0.996 3.439 0.809 71 H ILE 59 HN ILE 59 0.478 2.063 -4.135 72 HA ILE 59 HA ILE 59 -1.360 4.074 -5.263 73 HB ILE 59 HB ILE 59 -0.355 3.964 -7.397 74 HG12 ILE 59 HG12 ILE 59 0.082 1.532 -7.483 75 HG13 ILE 59 HG11 ILE 59 1.462 2.476 -8.030 76 HG21 ILE 59 HG21 ILE 59 1.818 4.063 -5.316 77 HG22 ILE 59 HG22 ILE 59 0.825 5.408 -5.881 78 HG23 ILE 59 HG23 ILE 59 1.981 4.641 -6.974 79 HD11 ILE 59 HD11 ILE 59 1.137 1.036 -5.413 80 HD12 ILE 59 HD12 ILE 59 2.460 2.155 -5.762 81 HD13 ILE 59 HD13 ILE 59 2.275 0.684 -6.716 82 H GLY 60 HN GLY 60 -1.149 0.921 -4.321 83 HA2 GLY 60 HA2 GLY 60 -3.278 0.154 -6.196 84 HA3 GLY 60 HA1 GLY 60 -1.905 -0.916 -5.968 85 H LYS 61 HN LYS 61 -4.800 -1.282 -5.437 86 HA LYS 61 HA LYS 61 -4.512 -2.303 -2.710 87 HB2 LYS 61 HB2 LYS 61 -5.608 -0.150 -2.418 88 HB3 LYS 61 HB1 LYS 61 -6.802 -0.560 -3.639 89 HG2 LYS 61 HG2 LYS 61 -7.564 -2.424 -2.183 90 HG3 LYS 61 HG1 LYS 61 -6.463 -1.832 -0.936 91 HD2 LYS 61 HD2 LYS 61 -7.633 0.307 -0.903 92 HD3 LYS 61 HD1 LYS 61 -8.709 -0.252 -2.188 93 HE2 LYS 61 HE2 LYS 61 -9.402 -2.116 -0.657 94 HE3 LYS 61 HE1 LYS 61 -8.488 -1.314 0.622 95 HZ1 LYS 61 HZ1 LYS 61 -10.936 -0.820 0.537 96 HZ2 LYS 61 HZ2 LYS 61 -10.645 0.039 -0.899 97 HZ3 LYS 61 HZ3 LYS 61 -9.922 0.539 0.552 98 H ARG 62 HN ARG 62 -5.139 -4.371 -2.656 99 HA ARG 62 HA ARG 62 -7.316 -5.190 -4.466 100 HB2 ARG 62 HB2 ARG 62 -4.852 -6.758 -3.705 101 HB3 ARG 62 HB1 ARG 62 -6.280 -7.498 -4.418 102 HG2 ARG 62 HG2 ARG 62 -4.581 -5.357 -5.678 103 HG3 ARG 62 HG1 ARG 62 -4.593 -7.069 -6.104 104 HD2 ARG 62 HD2 ARG 62 -6.867 -6.925 -6.852 105 HD3 ARG 62 HD1 ARG 62 -7.002 -5.272 -6.259 106 HE ARG 62 HE ARG 62 -4.948 -5.702 -8.249 107 HH11 ARG 62 HH11 ARG 62 -8.272 -4.839 -7.628 108 HH12 ARG 62 HH12 ARG 62 -8.469 -3.975 -9.121 109 HH21 ARG 62 HH21 ARG 62 -5.178 -4.546 -10.206 110 HH22 ARG 62 HH22 ARG 62 -6.707 -3.813 -10.597 111 H VAL 63 HN VAL 63 -9.055 -5.815 -3.460 112 HA VAL 63 HA VAL 63 -8.890 -6.552 -0.620 113 HB VAL 63 HB VAL 63 -11.342 -5.911 -2.277 114 HG11 VAL 63 HG11 VAL 63 -10.980 -6.188 0.703 115 HG12 VAL 63 HG12 VAL 63 -11.844 -7.306 -0.354 116 HG13 VAL 63 HG13 VAL 63 -12.460 -5.672 -0.107 117 HG21 VAL 63 HG21 VAL 63 -9.891 -3.962 -2.106 118 HG22 VAL 63 HG22 VAL 63 -9.823 -4.155 -0.354 119 HG23 VAL 63 HG23 VAL 63 -11.349 -3.746 -1.138 120 H GLY 64 HN GLY 64 -8.935 -8.664 -0.115 121 HA2 GLY 64 HA2 GLY 64 -9.565 -10.636 -2.099 122 HA3 GLY 64 HA1 GLY 64 -9.181 -10.943 -0.411 123 H ASP 65 HN ASP 65 -11.494 -11.384 -2.619 124 HA ASP 65 HA ASP 65 -13.822 -10.663 -1.049 125 HB2 ASP 65 HB2 ASP 65 -13.793 -10.597 -3.563 126 HB3 ASP 65 HB1 ASP 65 -13.677 -12.353 -3.557 127 H ASP 66 HN ASP 66 -11.691 -13.276 -1.396 128 HA ASP 66 HA ASP 66 -13.492 -15.302 -0.367 129 HB2 ASP 66 HB2 ASP 66 -10.507 -15.412 -0.862 130 HB3 ASP 66 HB1 ASP 66 -11.531 -16.786 -0.463 131 H GLY 67 HN GLY 67 -12.816 -12.877 1.245 132 HA2 GLY 67 HA2 GLY 67 -12.478 -12.447 3.496 133 HA3 GLY 67 HA1 GLY 67 -12.241 -14.175 3.743 134 H LYS 68 HN LYS 68 -10.445 -12.691 1.283 135 HA LYS 68 HA LYS 68 -7.981 -13.285 2.661 136 HB2 LYS 68 HB2 LYS 68 -8.542 -12.268 -0.131 137 HB3 LYS 68 HB1 LYS 68 -6.945 -12.691 0.476 138 HG2 LYS 68 HG2 LYS 68 -9.239 -14.636 0.416 139 HG3 LYS 68 HG1 LYS 68 -8.096 -14.444 -0.916 140 HD2 LYS 68 HD2 LYS 68 -6.350 -15.346 0.269 141 HD3 LYS 68 HD1 LYS 68 -7.027 -14.877 1.829 142 HE2 LYS 68 HE2 LYS 68 -8.247 -17.005 0.085 143 HE3 LYS 68 HE1 LYS 68 -7.024 -17.353 1.307 144 HZ1 LYS 68 HZ1 LYS 68 -9.750 -16.254 1.739 145 HZ2 LYS 68 HZ2 LYS 68 -8.550 -16.239 2.934 146 HZ3 LYS 68 HZ3 LYS 68 -9.110 -17.715 2.317 147 H THR 69 HN THR 69 -6.456 -11.856 3.263 148 HA THR 69 HA THR 69 -7.277 -9.374 4.236 149 HB THR 69 HB THR 69 -4.432 -10.244 3.684 150 HG1 THR 69 HG1 THR 69 -6.253 -10.887 5.781 151 HG21 THR 69 HG21 THR 69 -4.723 -7.884 4.336 152 HG22 THR 69 HG22 THR 69 -3.867 -8.818 5.566 153 HG23 THR 69 HG23 THR 69 -5.569 -8.404 5.790 154 H ILE 70 HN ILE 70 -6.985 -7.289 3.549 155 HA ILE 70 HA ILE 70 -6.823 -6.846 0.735 156 HB ILE 70 HB ILE 70 -6.798 -4.829 2.993 157 HG12 ILE 70 HG12 ILE 70 -9.109 -5.840 1.323 158 HG13 ILE 70 HG11 ILE 70 -8.796 -6.287 2.997 159 HG21 ILE 70 HG21 ILE 70 -7.355 -4.498 0.047 160 HG22 ILE 70 HG22 ILE 70 -5.971 -3.863 0.939 161 HG23 ILE 70 HG23 ILE 70 -7.589 -3.251 1.273 162 HD11 ILE 70 HD11 ILE 70 -9.136 -3.990 3.694 163 HD12 ILE 70 HD12 ILE 70 -10.539 -4.595 2.813 164 HD13 ILE 70 HD13 ILE 70 -9.401 -3.507 2.018 165 H GLU 71 HN GLU 71 -5.033 -6.614 -0.410 166 HA GLU 71 HA GLU 71 -2.532 -6.065 1.023 167 HB2 GLU 71 HB2 GLU 71 -3.057 -7.389 -1.639 168 HB3 GLU 71 HB1 GLU 71 -1.447 -6.949 -1.079 169 HG2 GLU 71 HG2 GLU 71 -1.646 -8.412 0.809 170 HG3 GLU 71 HG1 GLU 71 -3.320 -8.758 0.403 171 H TYR 72 HN TYR 72 -1.037 -4.625 0.196 172 HA TYR 72 HA TYR 72 -2.243 -2.546 -1.498 173 HB2 TYR 72 HB2 TYR 72 -0.836 -2.309 1.125 174 HB3 TYR 72 HB1 TYR 72 -0.707 -0.995 -0.040 175 HD1 TYR 72 HD1 TYR 72 -3.088 -0.428 -1.165 176 HD2 TYR 72 HD2 TYR 72 -2.481 -2.062 2.721 177 HE1 TYR 72 HE1 TYR 72 -5.269 0.470 -0.446 178 HE2 TYR 72 HE2 TYR 72 -4.650 -1.159 3.461 179 HH TYR 72 HH TYR 72 -6.245 0.578 2.823 180 H LEU 73 HN LEU 73 -1.152 -1.974 -3.194 181 HA LEU 73 HA LEU 73 1.513 -2.975 -3.650 182 HB2 LEU 73 HB2 LEU 73 -0.204 -2.862 -5.438 183 HB3 LEU 73 HB1 LEU 73 -0.175 -1.117 -5.329 184 HG LEU 73 HG LEU 73 2.146 -1.070 -6.089 185 HD11 LEU 73 HD11 LEU 73 3.233 -3.117 -6.893 186 HD12 LEU 73 HD12 LEU 73 1.882 -4.069 -6.278 187 HD13 LEU 73 HD13 LEU 73 2.915 -3.177 -5.159 188 HD21 LEU 73 HD21 LEU 73 0.352 -0.975 -7.740 189 HD22 LEU 73 HD22 LEU 73 0.370 -2.733 -7.867 190 HD23 LEU 73 HD23 LEU 73 1.773 -1.799 -8.385 191 H VAL 74 HN VAL 74 3.129 -2.005 -2.669 192 HA VAL 74 HA VAL 74 2.952 0.873 -2.143 193 HB VAL 74 HB VAL 74 4.881 -1.144 -0.980 194 HG11 VAL 74 HG11 VAL 74 4.304 1.710 -0.203 195 HG12 VAL 74 HG12 VAL 74 5.763 1.123 -1.003 196 HG13 VAL 74 HG13 VAL 74 5.390 0.609 0.642 197 HG21 VAL 74 HG21 VAL 74 3.542 -0.911 1.088 198 HG22 VAL 74 HG22 VAL 74 2.641 -1.652 -0.235 199 HG23 VAL 74 HG23 VAL 74 2.363 0.039 0.184 200 H LYS 75 HN LYS 75 4.100 2.237 -3.310 201 HA LYS 75 HA LYS 75 6.034 1.217 -5.217 202 HB2 LYS 75 HB2 LYS 75 4.439 2.891 -5.983 203 HB3 LYS 75 HB1 LYS 75 4.968 4.006 -4.729 204 HG2 LYS 75 HG2 LYS 75 5.954 4.692 -6.774 205 HG3 LYS 75 HG1 LYS 75 7.231 3.998 -5.777 206 HD2 LYS 75 HD2 LYS 75 7.623 3.093 -7.892 207 HD3 LYS 75 HD1 LYS 75 6.747 1.815 -7.046 208 HE2 LYS 75 HE2 LYS 75 5.888 2.103 -9.304 209 HE3 LYS 75 HE1 LYS 75 4.670 2.532 -8.106 210 HZ1 LYS 75 HZ1 LYS 75 5.166 4.863 -8.458 211 HZ2 LYS 75 HZ2 LYS 75 4.755 4.127 -9.929 212 HZ3 LYS 75 HZ3 LYS 75 6.376 4.468 -9.576 213 H TRP 76 HN TRP 76 8.065 0.947 -4.599 214 HA TRP 76 HA TRP 76 9.179 2.677 -2.517 215 HB2 TRP 76 HB2 TRP 76 10.338 0.164 -3.750 216 HB3 TRP 76 HB1 TRP 76 10.999 1.044 -2.377 217 HD1 TRP 76 HD1 TRP 76 7.935 -1.114 -3.311 218 HE1 TRP 76 HE1 TRP 76 6.977 -2.135 -1.150 219 HE3 TRP 76 HE3 TRP 76 10.933 1.229 0.090 220 HZ2 TRP 76 HZ2 TRP 76 7.444 -1.960 1.631 221 HZ3 TRP 76 HZ3 TRP 76 10.621 0.742 2.479 222 HH2 TRP 76 HH2 TRP 76 8.908 -0.824 3.232 223 H THR 77 HN THR 77 10.799 4.118 -2.944 224 HA THR 77 HA THR 77 10.640 5.290 -5.433 225 HB THR 77 HB THR 77 11.211 6.555 -3.458 226 HG1 THR 77 HG1 THR 77 11.838 7.662 -5.204 227 HG21 THR 77 HG21 THR 77 12.661 4.965 -2.316 228 HG22 THR 77 HG22 THR 77 13.468 6.523 -2.499 229 HG23 THR 77 HG23 THR 77 13.896 5.179 -3.558 230 H ASP 78 HN ASP 78 13.428 3.408 -4.219 231 HA ASP 78 HA ASP 78 14.593 3.495 -6.900 232 HB2 ASP 78 HB2 ASP 78 15.863 3.894 -4.633 233 HB3 ASP 78 HB1 ASP 78 15.904 2.135 -4.572 234 H MET 79 HN MET 79 12.217 1.882 -5.952 235 HA MET 79 HA MET 79 13.144 -0.775 -6.775 236 HB2 MET 79 HB2 MET 79 12.914 -0.482 -4.225 237 HB3 MET 79 HB1 MET 79 11.184 -0.419 -4.519 238 HG2 MET 79 HG2 MET 79 11.745 -2.639 -3.894 239 HG3 MET 79 HG1 MET 79 11.348 -2.646 -5.612 240 HE1 MET 79 HE1 MET 79 14.688 -1.317 -4.002 241 HE2 MET 79 HE2 MET 79 15.689 -2.769 -4.027 242 HE3 MET 79 HE3 MET 79 14.278 -2.690 -2.972 243 H SER 80 HN SER 80 11.940 1.098 -8.371 244 HA SER 80 HA SER 80 9.282 1.403 -8.660 245 HB2 SER 80 HB2 SER 80 11.080 0.681 -10.972 246 HB3 SER 80 HB1 SER 80 9.665 1.736 -10.997 247 HG SER 80 HG SER 80 11.956 2.649 -10.840 248 H ASP 81 HN ASP 81 10.959 -1.625 -9.125 249 HA ASP 81 HA ASP 81 8.790 -3.050 -10.315 250 HB2 ASP 81 HB2 ASP 81 10.063 -5.074 -9.631 251 HB3 ASP 81 HB1 ASP 81 11.040 -3.916 -10.525 252 H ALA 82 HN ALA 82 7.674 -1.567 -8.411 253 HA ALA 82 HA ALA 82 7.689 -2.090 -5.764 254 HB1 ALA 82 HB1 ALA 82 5.282 -1.375 -7.414 255 HB2 ALA 82 HB2 ALA 82 6.494 -0.255 -6.792 256 HB3 ALA 82 HB3 ALA 82 5.453 -1.135 -5.675 257 H THR 83 HN THR 83 6.348 -3.138 -4.304 258 HA THR 83 HA THR 83 5.373 -5.747 -5.237 259 HB THR 83 HB THR 83 7.431 -6.239 -4.229 260 HG1 THR 83 HG1 THR 83 5.974 -6.501 -1.854 261 HG21 THR 83 HG21 THR 83 8.178 -5.314 -2.077 262 HG22 THR 83 HG22 THR 83 6.723 -4.321 -2.009 263 HG23 THR 83 HG23 THR 83 7.915 -4.052 -3.282 264 H TRP 84 HN TRP 84 3.719 -6.737 -3.985 265 HA TRP 84 HA TRP 84 1.924 -4.817 -2.745 266 HB2 TRP 84 HB2 TRP 84 1.634 -7.752 -3.419 267 HB3 TRP 84 HB1 TRP 84 0.378 -6.814 -2.619 268 HD1 TRP 84 HD1 TRP 84 2.171 -7.114 -6.016 269 HE1 TRP 84 HE1 TRP 84 0.681 -6.012 -7.808 270 HE3 TRP 84 HE3 TRP 84 -1.449 -5.153 -2.982 271 HZ2 TRP 84 HZ2 TRP 84 -1.710 -4.523 -7.918 272 HZ3 TRP 84 HZ3 TRP 84 -3.305 -3.912 -4.012 273 HH2 TRP 84 HH2 TRP 84 -3.431 -3.603 -6.429 274 H GLU 85 HN GLU 85 2.438 -4.315 -0.709 275 HA GLU 85 HA GLU 85 3.459 -6.376 1.083 276 HB2 GLU 85 HB2 GLU 85 3.078 -3.405 1.485 277 HB3 GLU 85 HB1 GLU 85 3.831 -4.492 2.640 278 HG2 GLU 85 HG2 GLU 85 4.862 -3.692 -0.072 279 HG3 GLU 85 HG1 GLU 85 5.549 -3.333 1.505 280 HA PRO 86 HA PRO 86 -0.443 -6.737 3.245 281 HB2 PRO 86 HB2 PRO 86 0.419 -7.800 5.553 282 HB3 PRO 86 HB1 PRO 86 0.492 -8.710 4.038 283 HG2 PRO 86 HG2 PRO 86 2.670 -7.236 5.465 284 HG3 PRO 86 HG1 PRO 86 2.726 -8.824 4.677 285 HD2 PRO 86 HD2 PRO 86 3.631 -6.499 3.529 286 HD3 PRO 86 HD1 PRO 86 3.078 -7.914 2.612 287 H GLN 87 HN GLN 87 -1.635 -5.702 4.786 288 HA GLN 87 HA GLN 87 -1.234 -3.041 5.154 289 HB2 GLN 87 HB2 GLN 87 -2.926 -4.943 6.762 290 HB3 GLN 87 HB1 GLN 87 -3.007 -3.196 6.939 291 HG2 GLN 87 HG2 GLN 87 -3.782 -2.933 4.703 292 HG3 GLN 87 HG1 GLN 87 -3.486 -4.634 4.343 293 HE21 GLN 87 HE21 GLN 87 -5.543 -2.380 6.060 294 HE22 GLN 87 HE22 GLN 87 -6.846 -3.488 6.330 295 H ASP 88 HN ASP 88 -0.220 -5.579 7.384 296 HA ASP 88 HA ASP 88 0.335 -3.810 9.558 297 HB2 ASP 88 HB2 ASP 88 1.203 -6.641 8.972 298 HB3 ASP 88 HB1 ASP 88 1.713 -5.778 10.418 299 H ASN 89 HN ASN 89 2.105 -4.850 6.764 300 HA ASN 89 HA ASN 89 4.609 -3.717 7.764 301 HB2 ASN 89 HB2 ASN 89 4.655 -5.884 6.544 302 HB3 ASN 89 HB1 ASN 89 4.000 -5.074 5.123 303 HD21 ASN 89 HD21 ASN 89 5.326 -3.822 3.868 304 HD22 ASN 89 HD22 ASN 89 7.039 -3.768 4.068 305 H VAL 90 HN VAL 90 2.055 -3.140 5.458 306 HA VAL 90 HA VAL 90 3.203 -1.078 3.953 307 HB VAL 90 HB VAL 90 0.292 -1.475 4.698 308 HG11 VAL 90 HG11 VAL 90 0.752 0.799 3.895 309 HG12 VAL 90 HG12 VAL 90 -0.208 -0.119 2.735 310 HG13 VAL 90 HG13 VAL 90 1.516 0.126 2.454 311 HG21 VAL 90 HG21 VAL 90 0.102 -2.555 2.528 312 HG22 VAL 90 HG22 VAL 90 1.273 -3.394 3.546 313 HG23 VAL 90 HG23 VAL 90 1.827 -2.330 2.251 314 H ASP 91 HN ASP 91 3.771 0.916 4.469 315 HA ASP 91 HA ASP 91 3.688 1.976 7.031 316 HB2 ASP 91 HB2 ASP 91 5.232 2.733 5.255 317 HB3 ASP 91 HB1 ASP 91 3.882 3.499 4.424 318 H SER 92 HN SER 92 2.214 3.022 8.184 319 HA SER 92 HA SER 92 -0.478 3.012 7.219 320 HB2 SER 92 HB2 SER 92 0.644 4.064 9.828 321 HB3 SER 92 HB1 SER 92 -1.062 3.795 9.476 322 HG SER 92 HG SER 92 0.819 1.694 9.234 323 H THR 93 HN THR 93 2.017 5.385 7.500 324 HA THR 93 HA THR 93 0.391 7.714 7.526 325 HB THR 93 HB THR 93 3.152 7.539 6.317 326 HG1 THR 93 HG1 THR 93 3.795 6.870 8.207 327 HG21 THR 93 HG21 THR 93 2.023 9.685 6.087 328 HG22 THR 93 HG22 THR 93 3.359 9.819 7.230 329 HG23 THR 93 HG23 THR 93 1.699 9.721 7.820 330 H LEU 94 HN LEU 94 1.969 5.824 5.016 331 HA LEU 94 HA LEU 94 1.053 7.435 2.851 332 HB2 LEU 94 HB2 LEU 94 2.032 4.582 2.775 333 HB3 LEU 94 HB1 LEU 94 1.992 5.722 1.439 334 HG LEU 94 HG LEU 94 3.699 6.063 3.904 335 HD11 LEU 94 HD11 LEU 94 4.399 4.104 2.668 336 HD12 LEU 94 HD12 LEU 94 5.568 5.410 2.472 337 HD13 LEU 94 HD13 LEU 94 4.436 5.038 1.171 338 HD21 LEU 94 HD21 LEU 94 4.835 7.761 2.570 339 HD22 LEU 94 HD22 LEU 94 3.128 8.153 2.780 340 HD23 LEU 94 HD23 LEU 94 3.699 7.492 1.248 341 H VAL 95 HN VAL 95 0.014 4.355 4.311 342 HA VAL 95 HA VAL 95 -1.919 3.841 2.334 343 HB VAL 95 HB VAL 95 -1.000 2.249 4.194 344 HG11 VAL 95 HG11 VAL 95 -3.472 3.297 5.552 345 HG12 VAL 95 HG12 VAL 95 -1.812 3.470 6.125 346 HG13 VAL 95 HG13 VAL 95 -2.558 1.869 6.031 347 HG21 VAL 95 HG21 VAL 95 -2.457 1.570 2.393 348 HG22 VAL 95 HG22 VAL 95 -3.862 2.165 3.278 349 HG23 VAL 95 HG23 VAL 95 -2.940 0.797 3.904 350 H LEU 96 HN LEU 96 -2.034 5.716 5.310 351 HA LEU 96 HA LEU 96 -4.794 6.176 5.382 352 HB2 LEU 96 HB2 LEU 96 -3.201 6.758 7.201 353 HB3 LEU 96 HB1 LEU 96 -2.597 8.074 6.214 354 HG LEU 96 HG LEU 96 -4.808 9.151 6.290 355 HD11 LEU 96 HD11 LEU 96 -6.168 7.128 6.532 356 HD12 LEU 96 HD12 LEU 96 -6.536 8.317 7.782 357 HD13 LEU 96 HD13 LEU 96 -5.544 6.909 8.167 358 HD21 LEU 96 HD21 LEU 96 -3.108 9.714 7.954 359 HD22 LEU 96 HD22 LEU 96 -3.712 8.433 9.004 360 HD23 LEU 96 HD23 LEU 96 -4.734 9.820 8.631 361 H LEU 97 HN LEU 97 -2.237 7.616 3.422 362 HA LEU 97 HA LEU 97 -3.956 9.746 2.530 363 HB2 LEU 97 HB2 LEU 97 -2.156 10.473 1.127 364 HB3 LEU 97 HB1 LEU 97 -1.587 10.176 2.749 365 HG LEU 97 HG LEU 97 -0.711 7.957 1.883 366 HD11 LEU 97 HD11 LEU 97 -0.428 7.654 -0.430 367 HD12 LEU 97 HD12 LEU 97 -0.975 9.296 -0.783 368 HD13 LEU 97 HD13 LEU 97 -2.124 8.099 -0.181 369 HD21 LEU 97 HD21 LEU 97 1.309 8.984 0.984 370 HD22 LEU 97 HD22 LEU 97 0.725 9.864 2.399 371 HD23 LEU 97 HD23 LEU 97 0.450 10.512 0.781 372 H TYR 98 HN TYR 98 -3.353 6.527 1.669 373 HA TYR 98 HA TYR 98 -4.468 6.753 -0.983 374 HB2 TYR 98 HB2 TYR 98 -2.933 4.883 -0.313 375 HB3 TYR 98 HB1 TYR 98 -4.205 4.277 0.743 376 HD1 TYR 98 HD1 TYR 98 -6.212 3.241 -0.187 377 HD2 TYR 98 HD2 TYR 98 -3.100 4.662 -2.713 378 HE1 TYR 98 HE1 TYR 98 -7.173 1.982 -2.071 379 HE2 TYR 98 HE2 TYR 98 -4.044 3.405 -4.597 380 HH TYR 98 HH TYR 98 -7.153 2.076 -4.555 381 H GLN 99 HN GLN 99 -5.548 6.045 2.268 382 HA GLN 99 HA GLN 99 -8.251 5.458 1.593 383 HB2 GLN 99 HB2 GLN 99 -7.103 6.470 4.201 384 HB3 GLN 99 HB1 GLN 99 -8.698 5.761 3.987 385 HG2 GLN 99 HG2 GLN 99 -7.680 3.648 3.319 386 HG3 GLN 99 HG1 GLN 99 -6.078 4.353 3.524 387 HE21 GLN 99 HE21 GLN 99 -5.466 2.905 5.070 388 HE22 GLN 99 HE22 GLN 99 -6.113 2.889 6.677 389 H GLN 100 HN GLN 100 -6.429 8.387 2.109 390 HA GLN 100 HA GLN 100 -8.617 10.165 2.290 391 HB2 GLN 100 HB2 GLN 100 -5.878 10.660 1.098 392 HB3 GLN 100 HB1 GLN 100 -7.045 11.906 1.519 393 HG2 GLN 100 HG2 GLN 100 -5.654 10.028 3.418 394 HG3 GLN 100 HG1 GLN 100 -5.344 11.751 3.217 395 HE21 GLN 100 HE21 GLN 100 -7.484 9.354 4.508 396 HE22 GLN 100 HE22 GLN 100 -8.443 10.424 5.474 397 H GLN 101 HN GLN 101 -7.118 8.496 -0.369 398 HA GLN 101 HA GLN 101 -8.498 9.955 -2.437 399 HB2 GLN 101 HB2 GLN 101 -7.154 7.247 -2.563 400 HB3 GLN 101 HB1 GLN 101 -7.654 8.214 -3.940 401 HG2 GLN 101 HG2 GLN 101 -6.034 9.930 -3.322 402 HG3 GLN 101 HG1 GLN 101 -5.531 8.951 -1.942 403 HE21 GLN 101 HE21 GLN 101 -3.995 9.882 -4.239 404 HE22 GLN 101 HE22 GLN 101 -3.338 8.455 -4.972 405 H GLN 102 HN GLN 102 -9.323 7.604 -0.200 406 HA GLN 102 HA GLN 102 -11.433 6.418 -1.822 407 HB2 GLN 102 HB2 GLN 102 -10.216 5.781 0.847 408 HB3 GLN 102 HB1 GLN 102 -11.777 5.109 0.398 409 HG2 GLN 102 HG2 GLN 102 -9.279 4.799 -1.244 410 HG3 GLN 102 HG1 GLN 102 -9.824 3.629 -0.044 411 HE21 GLN 102 HE21 GLN 102 -12.631 3.939 -0.601 412 HE22 GLN 102 HE22 GLN 102 -12.920 3.197 -2.141 413 HA PRO 103 HA PRO 103 -14.454 9.192 -0.083 414 HB2 PRO 103 HB2 PRO 103 -16.406 7.132 -0.858 415 HB3 PRO 103 HB1 PRO 103 -16.261 8.801 -1.413 416 HG2 PRO 103 HG2 PRO 103 -15.653 6.712 -3.000 417 HG3 PRO 103 HG1 PRO 103 -14.790 8.258 -3.099 418 HD2 PRO 103 HD2 PRO 103 -13.953 5.697 -1.802 419 HD3 PRO 103 HD1 PRO 103 -12.985 6.857 -2.738 420 H MET 104 HN MET 104 -14.249 9.121 2.086 421 HA MET 104 HA MET 104 -14.537 6.853 3.724 422 HB2 MET 104 HB2 MET 104 -13.431 8.971 4.411 423 HB3 MET 104 HB1 MET 104 -15.001 9.760 4.439 424 HG2 MET 104 HG2 MET 104 -14.302 9.165 6.677 425 HG3 MET 104 HG1 MET 104 -15.735 8.252 6.212 426 HE1 MET 104 HE1 MET 104 -11.470 6.489 6.334 427 HE2 MET 104 HE2 MET 104 -11.861 8.147 6.793 428 HE3 MET 104 HE3 MET 104 -11.995 7.643 5.107 429 H ASN 105 HN ASN 105 -16.762 9.322 2.650 430 HA ASN 105 HA ASN 105 -18.953 7.427 3.000 431 HB2 ASN 105 HB2 ASN 105 -19.025 9.030 4.940 432 HB3 ASN 105 HB1 ASN 105 -19.199 10.347 3.785 433 HD21 ASN 105 HD21 ASN 105 -21.222 10.956 4.504 434 HD22 ASN 105 HD22 ASN 105 -22.637 9.981 4.270 435 H GLU 106 HN GLU 106 -18.353 10.772 1.980 436 HA GLU 106 HA GLU 106 -18.799 10.033 -0.798 437 HB2 GLU 106 HB2 GLU 106 -21.018 10.735 0.033 438 HB3 GLU 106 HB1 GLU 106 -20.332 12.257 0.577 439 HG2 GLU 106 HG2 GLU 106 -21.531 12.542 -1.505 440 HG3 GLU 106 HG1 GLU 106 -19.810 12.855 -1.727 Start of MODEL 4 1 H1 GLY 49 HT1 GLY 49 18.015 2.446 -4.068 2 H2 GLY 49 HT2 GLY 49 18.715 1.767 -2.683 3 H3 GLY 49 HT3 GLY 49 19.697 2.475 -3.860 4 HA2 GLY 49 HA1 GLY 49 18.686 4.645 -3.399 5 HA3 GLY 49 HA2 GLY 49 17.750 3.886 -2.118 6 H LEU 50 HN LEU 50 18.595 4.847 -0.337 7 HA LEU 50 HA LEU 50 21.293 5.446 0.100 8 HB2 LEU 50 HB2 LEU 50 19.071 4.899 2.057 9 HB3 LEU 50 HB1 LEU 50 20.667 5.418 2.553 10 HG LEU 50 HG LEU 50 19.279 7.338 2.590 11 HD11 LEU 50 HD11 LEU 50 20.904 7.395 0.054 12 HD12 LEU 50 HD12 LEU 50 21.493 7.732 1.682 13 HD13 LEU 50 HD13 LEU 50 20.312 8.805 0.932 14 HD21 LEU 50 HD21 LEU 50 17.451 6.495 1.208 15 HD22 LEU 50 HD22 LEU 50 18.450 6.681 -0.233 16 HD23 LEU 50 HD23 LEU 50 17.959 8.103 0.687 17 H GLU 51 HN GLU 51 19.448 2.867 1.614 18 HA GLU 51 HA GLU 51 21.766 1.086 1.240 19 HB2 GLU 51 HB2 GLU 51 19.759 1.047 3.505 20 HB3 GLU 51 HB1 GLU 51 21.032 -0.140 3.260 21 HG2 GLU 51 HG2 GLU 51 22.714 1.612 3.573 22 HG3 GLU 51 HG1 GLU 51 21.426 2.788 3.846 23 H TYR 52 HN TYR 52 18.265 1.299 1.638 24 HA TYR 52 HA TYR 52 17.972 -0.940 -0.248 25 HB2 TYR 52 HB2 TYR 52 16.225 -0.448 2.177 26 HB3 TYR 52 HB1 TYR 52 16.111 -1.800 1.055 27 HD1 TYR 52 HD1 TYR 52 18.327 -3.233 0.847 28 HD2 TYR 52 HD2 TYR 52 17.354 -0.765 4.168 29 HE1 TYR 52 HE1 TYR 52 19.875 -4.525 2.249 30 HE2 TYR 52 HE2 TYR 52 18.904 -2.049 5.585 31 HH TYR 52 HH TYR 52 21.224 -4.119 4.364 32 H ALA 53 HN ALA 53 15.089 -0.796 -0.176 33 HA ALA 53 HA ALA 53 14.727 1.611 -1.777 34 HB1 ALA 53 HB1 ALA 53 12.592 0.624 -2.424 35 HB2 ALA 53 HB2 ALA 53 12.838 -0.685 -1.268 36 HB3 ALA 53 HB3 ALA 53 13.912 -0.522 -2.657 37 H VAL 54 HN VAL 54 13.097 3.157 -1.356 38 HA VAL 54 HA VAL 54 12.102 3.150 1.414 39 HB VAL 54 HB VAL 54 12.766 5.570 -0.275 40 HG11 VAL 54 HG11 VAL 54 11.888 5.348 2.604 41 HG12 VAL 54 HG12 VAL 54 10.938 5.999 1.268 42 HG13 VAL 54 HG13 VAL 54 12.397 6.833 1.802 43 HG21 VAL 54 HG21 VAL 54 14.224 4.387 2.086 44 HG22 VAL 54 HG22 VAL 54 14.618 5.915 1.297 45 HG23 VAL 54 HG23 VAL 54 14.782 4.396 0.414 46 H ALA 55 HN ALA 55 9.973 2.986 1.586 47 HA ALA 55 HA ALA 55 8.185 3.074 -0.583 48 HB1 ALA 55 HB1 ALA 55 6.432 2.898 1.099 49 HB2 ALA 55 HB2 ALA 55 7.589 3.308 2.367 50 HB3 ALA 55 HB3 ALA 55 7.763 1.799 1.467 51 H GLU 56 HN GLU 56 7.508 4.784 -1.665 52 HA GLU 56 HA GLU 56 7.701 7.448 -0.552 53 HB2 GLU 56 HB2 GLU 56 6.528 6.559 -3.193 54 HB3 GLU 56 HB1 GLU 56 6.939 8.205 -2.737 55 HG2 GLU 56 HG2 GLU 56 9.315 7.475 -2.547 56 HG3 GLU 56 HG1 GLU 56 8.825 5.917 -3.218 57 H SER 57 HN SER 57 5.124 5.437 -1.912 58 HA SER 57 HA SER 57 3.239 6.170 0.114 59 HB2 SER 57 HB2 SER 57 2.784 7.167 -2.715 60 HB3 SER 57 HB1 SER 57 1.588 7.200 -1.426 61 HG SER 57 HG SER 57 3.914 8.375 -0.662 62 H VAL 58 HN VAL 58 0.979 5.257 -0.645 63 HA VAL 58 HA VAL 58 1.459 2.709 -2.029 64 HB VAL 58 HB VAL 58 -0.858 3.538 -0.264 65 HG11 VAL 58 HG11 VAL 58 -0.206 0.867 -1.498 66 HG12 VAL 58 HG12 VAL 58 -1.546 1.922 -1.947 67 HG13 VAL 58 HG13 VAL 58 -1.508 1.177 -0.348 68 HG21 VAL 58 HG21 VAL 58 0.091 1.935 1.342 69 HG22 VAL 58 HG22 VAL 58 1.190 3.273 1.005 70 HG23 VAL 58 HG23 VAL 58 1.470 1.696 0.266 71 H ILE 59 HN ILE 59 0.354 2.205 -3.898 72 HA ILE 59 HA ILE 59 -1.509 4.259 -4.898 73 HB ILE 59 HB ILE 59 -0.598 4.288 -7.067 74 HG12 ILE 59 HG12 ILE 59 -0.075 1.908 -7.337 75 HG13 ILE 59 HG11 ILE 59 1.280 2.912 -7.827 76 HG21 ILE 59 HG21 ILE 59 1.684 5.090 -6.737 77 HG22 ILE 59 HG22 ILE 59 1.703 4.366 -5.130 78 HG23 ILE 59 HG23 ILE 59 0.591 5.686 -5.489 79 HD11 ILE 59 HD11 ILE 59 2.114 1.026 -6.642 80 HD12 ILE 59 HD12 ILE 59 1.008 1.311 -5.299 81 HD13 ILE 59 HD13 ILE 59 2.325 2.445 -5.615 82 H GLY 60 HN GLY 60 -1.229 1.123 -4.042 83 HA2 GLY 60 HA2 GLY 60 -3.411 0.359 -5.851 84 HA3 GLY 60 HA1 GLY 60 -2.009 -0.694 -5.732 85 H LYS 61 HN LYS 61 -4.878 -1.106 -5.011 86 HA LYS 61 HA LYS 61 -4.386 -2.101 -2.297 87 HB2 LYS 61 HB2 LYS 61 -5.589 -0.004 -1.977 88 HB3 LYS 61 HB1 LYS 61 -6.821 -0.512 -3.125 89 HG2 LYS 61 HG2 LYS 61 -7.458 -2.340 -1.626 90 HG3 LYS 61 HG1 LYS 61 -6.238 -1.806 -0.468 91 HD2 LYS 61 HD2 LYS 61 -7.395 0.361 -0.283 92 HD3 LYS 61 HD1 LYS 61 -8.627 -0.220 -1.405 93 HE2 LYS 61 HE2 LYS 61 -9.227 -1.996 0.146 94 HE3 LYS 61 HE1 LYS 61 -7.969 -1.469 1.262 95 HZ1 LYS 61 HZ1 LYS 61 -10.344 0.122 0.440 96 HZ2 LYS 61 HZ2 LYS 61 -9.135 0.637 1.509 97 HZ3 LYS 61 HZ3 LYS 61 -10.138 -0.655 1.935 98 H ARG 62 HN ARG 62 -4.908 -4.183 -2.147 99 HA ARG 62 HA ARG 62 -7.217 -5.111 -3.719 100 HB2 ARG 62 HB2 ARG 62 -4.628 -6.502 -3.108 101 HB3 ARG 62 HB1 ARG 62 -6.097 -7.441 -3.344 102 HG2 ARG 62 HG2 ARG 62 -4.793 -5.585 -5.321 103 HG3 ARG 62 HG1 ARG 62 -4.908 -7.344 -5.414 104 HD2 ARG 62 HD2 ARG 62 -7.138 -5.334 -5.619 105 HD3 ARG 62 HD1 ARG 62 -6.562 -6.429 -6.871 106 HE ARG 62 HE ARG 62 -7.400 -8.267 -5.371 107 HH11 ARG 62 HH11 ARG 62 -8.857 -5.051 -5.314 108 HH12 ARG 62 HH12 ARG 62 -10.379 -5.633 -4.701 109 HH21 ARG 62 HH21 ARG 62 -9.393 -8.989 -4.565 110 HH22 ARG 62 HH22 ARG 62 -10.672 -7.849 -4.255 111 H VAL 63 HN VAL 63 -8.863 -5.226 -2.375 112 HA VAL 63 HA VAL 63 -8.414 -6.279 0.328 113 HB VAL 63 HB VAL 63 -9.594 -4.176 0.360 114 HG11 VAL 63 HG11 VAL 63 -11.586 -5.444 -1.516 115 HG12 VAL 63 HG12 VAL 63 -10.469 -4.134 -1.901 116 HG13 VAL 63 HG13 VAL 63 -11.772 -3.872 -0.741 117 HG21 VAL 63 HG21 VAL 63 -10.301 -5.863 1.983 118 HG22 VAL 63 HG22 VAL 63 -11.541 -6.425 0.861 119 HG23 VAL 63 HG23 VAL 63 -11.632 -4.797 1.534 120 H GLY 64 HN GLY 64 -8.979 -8.327 0.764 121 HA2 GLY 64 HA2 GLY 64 -9.902 -9.954 -1.391 122 HA3 GLY 64 HA1 GLY 64 -9.614 -10.483 0.260 123 H ASP 65 HN ASP 65 -11.878 -10.180 -2.042 124 HA ASP 65 HA ASP 65 -14.141 -9.571 -0.358 125 HB2 ASP 65 HB2 ASP 65 -15.461 -10.091 -2.375 126 HB3 ASP 65 HB1 ASP 65 -14.194 -8.920 -2.703 127 H ASP 66 HN ASP 66 -12.477 -12.293 -1.642 128 HA ASP 66 HA ASP 66 -14.281 -14.317 -0.727 129 HB2 ASP 66 HB2 ASP 66 -12.457 -15.862 -1.269 130 HB3 ASP 66 HB1 ASP 66 -12.687 -14.699 -2.571 131 H GLY 67 HN GLY 67 -12.123 -12.263 0.829 132 HA2 GLY 67 HA2 GLY 67 -12.020 -12.323 3.261 133 HA3 GLY 67 HA1 GLY 67 -11.951 -14.077 3.153 134 H LYS 68 HN LYS 68 -10.141 -12.739 0.708 135 HA LYS 68 HA LYS 68 -7.627 -13.492 1.718 136 HB2 LYS 68 HB2 LYS 68 -8.099 -13.309 -0.683 137 HB3 LYS 68 HB1 LYS 68 -8.351 -11.578 -0.519 138 HG2 LYS 68 HG2 LYS 68 -6.198 -11.916 -1.461 139 HG3 LYS 68 HG1 LYS 68 -5.975 -11.370 0.202 140 HD2 LYS 68 HD2 LYS 68 -5.675 -13.746 0.878 141 HD3 LYS 68 HD1 LYS 68 -5.751 -14.198 -0.825 142 HE2 LYS 68 HE2 LYS 68 -3.709 -12.381 0.447 143 HE3 LYS 68 HE1 LYS 68 -3.442 -14.045 -0.068 144 HZ1 LYS 68 HZ1 LYS 68 -3.886 -11.648 -1.742 145 HZ2 LYS 68 HZ2 LYS 68 -4.146 -13.208 -2.355 146 HZ3 LYS 68 HZ3 LYS 68 -2.609 -12.764 -1.797 147 H THR 69 HN THR 69 -6.007 -12.347 2.676 148 HA THR 69 HA THR 69 -6.520 -10.092 4.239 149 HB THR 69 HB THR 69 -3.849 -11.020 3.150 150 HG1 THR 69 HG1 THR 69 -4.549 -11.671 5.744 151 HG21 THR 69 HG21 THR 69 -4.501 -9.405 5.617 152 HG22 THR 69 HG22 THR 69 -3.787 -8.768 4.136 153 HG23 THR 69 HG23 THR 69 -2.894 -9.934 5.116 154 H ILE 70 HN ILE 70 -6.130 -7.906 3.948 155 HA ILE 70 HA ILE 70 -6.356 -6.944 1.273 156 HB ILE 70 HB ILE 70 -5.883 -5.374 3.815 157 HG12 ILE 70 HG12 ILE 70 -8.485 -6.033 2.412 158 HG13 ILE 70 HG11 ILE 70 -7.921 -6.788 3.900 159 HG21 ILE 70 HG21 ILE 70 -6.841 -3.494 2.565 160 HG22 ILE 70 HG22 ILE 70 -6.937 -4.506 1.124 161 HG23 ILE 70 HG23 ILE 70 -5.365 -4.097 1.812 162 HD11 ILE 70 HD11 ILE 70 -9.579 -5.080 4.353 163 HD12 ILE 70 HD12 ILE 70 -8.583 -3.873 3.538 164 HD13 ILE 70 HD13 ILE 70 -8.015 -4.625 5.029 165 H GLU 71 HN GLU 71 -4.731 -6.718 -0.061 166 HA GLU 71 HA GLU 71 -2.030 -6.304 1.004 167 HB2 GLU 71 HB2 GLU 71 -2.992 -7.312 -1.678 168 HB3 GLU 71 HB1 GLU 71 -1.304 -6.974 -1.312 169 HG2 GLU 71 HG2 GLU 71 -1.223 -8.675 0.320 170 HG3 GLU 71 HG1 GLU 71 -2.970 -8.869 0.293 171 H TYR 72 HN TYR 72 -0.768 -4.656 0.315 172 HA TYR 72 HA TYR 72 -2.138 -2.570 -1.251 173 HB2 TYR 72 HB2 TYR 72 -0.673 -2.379 1.332 174 HB3 TYR 72 HB1 TYR 72 -0.564 -1.029 0.206 175 HD1 TYR 72 HD1 TYR 72 -2.868 -0.250 -0.797 176 HD2 TYR 72 HD2 TYR 72 -2.405 -2.375 2.869 177 HE1 TYR 72 HE1 TYR 72 -5.043 0.607 -0.017 178 HE2 TYR 72 HE2 TYR 72 -4.578 -1.521 3.650 179 HH TYR 72 HH TYR 72 -6.069 0.421 3.195 180 H LEU 73 HN LEU 73 -1.148 -1.891 -2.967 181 HA LEU 73 HA LEU 73 1.499 -2.805 -3.615 182 HB2 LEU 73 HB2 LEU 73 -0.341 -2.610 -5.277 183 HB3 LEU 73 HB1 LEU 73 -0.305 -0.873 -5.079 184 HG LEU 73 HG LEU 73 1.981 -0.806 -5.969 185 HD11 LEU 73 HD11 LEU 73 2.952 -2.800 -6.992 186 HD12 LEU 73 HD12 LEU 73 1.610 -3.767 -6.377 187 HD13 LEU 73 HD13 LEU 73 2.734 -3.001 -5.253 188 HD21 LEU 73 HD21 LEU 73 1.430 -1.368 -8.286 189 HD22 LEU 73 HD22 LEU 73 0.095 -0.537 -7.489 190 HD23 LEU 73 HD23 LEU 73 0.026 -2.281 -7.732 191 H VAL 74 HN VAL 74 3.036 -1.886 -2.409 192 HA VAL 74 HA VAL 74 2.896 0.944 -1.740 193 HB VAL 74 HB VAL 74 4.939 -1.140 -0.951 194 HG11 VAL 74 HG11 VAL 74 5.602 0.475 0.769 195 HG12 VAL 74 HG12 VAL 74 4.470 1.650 0.100 196 HG13 VAL 74 HG13 VAL 74 5.853 1.112 -0.855 197 HG21 VAL 74 HG21 VAL 74 2.764 -1.687 -0.048 198 HG22 VAL 74 HG22 VAL 74 2.572 -0.040 0.553 199 HG23 VAL 74 HG23 VAL 74 3.814 -1.089 1.239 200 H LYS 75 HN LYS 75 3.854 2.438 -2.943 201 HA LYS 75 HA LYS 75 5.615 1.652 -5.096 202 HB2 LYS 75 HB2 LYS 75 3.876 3.359 -5.456 203 HB3 LYS 75 HB1 LYS 75 4.626 4.385 -4.243 204 HG2 LYS 75 HG2 LYS 75 5.248 5.210 -6.379 205 HG3 LYS 75 HG1 LYS 75 6.671 4.444 -5.672 206 HD2 LYS 75 HD2 LYS 75 6.209 2.419 -6.996 207 HD3 LYS 75 HD1 LYS 75 4.829 3.235 -7.733 208 HE2 LYS 75 HE2 LYS 75 7.724 4.062 -7.931 209 HE3 LYS 75 HE1 LYS 75 6.755 3.324 -9.206 210 HZ1 LYS 75 HZ1 LYS 75 6.960 5.733 -9.463 211 HZ2 LYS 75 HZ2 LYS 75 6.215 5.971 -7.961 212 HZ3 LYS 75 HZ3 LYS 75 5.342 5.270 -9.239 213 H TRP 76 HN TRP 76 7.633 1.213 -4.537 214 HA TRP 76 HA TRP 76 9.013 2.824 -2.534 215 HB2 TRP 76 HB2 TRP 76 9.977 0.421 -4.103 216 HB3 TRP 76 HB1 TRP 76 10.814 1.174 -2.751 217 HD1 TRP 76 HD1 TRP 76 7.694 -0.950 -3.506 218 HE1 TRP 76 HE1 TRP 76 6.977 -2.140 -1.341 219 HE3 TRP 76 HE3 TRP 76 10.983 1.219 -0.270 220 HZ2 TRP 76 HZ2 TRP 76 7.726 -2.152 1.392 221 HZ3 TRP 76 HZ3 TRP 76 10.928 0.563 2.097 222 HH2 TRP 76 HH2 TRP 76 9.331 -1.092 2.912 223 H THR 77 HN THR 77 10.597 4.242 -3.012 224 HA THR 77 HA THR 77 10.640 5.435 -5.547 225 HB THR 77 HB THR 77 11.189 6.646 -3.467 226 HG1 THR 77 HG1 THR 77 12.447 6.845 -5.816 227 HG21 THR 77 HG21 THR 77 12.540 4.925 -2.363 228 HG22 THR 77 HG22 THR 77 13.412 6.456 -2.468 229 HG23 THR 77 HG23 THR 77 13.805 5.139 -3.574 230 H ASP 78 HN ASP 78 12.627 2.934 -4.162 231 HA ASP 78 HA ASP 78 14.461 2.970 -6.442 232 HB2 ASP 78 HB2 ASP 78 15.319 2.698 -4.088 233 HB3 ASP 78 HB1 ASP 78 14.475 1.154 -4.016 234 H MET 79 HN MET 79 12.095 0.957 -4.836 235 HA MET 79 HA MET 79 12.287 -1.129 -6.848 236 HB2 MET 79 HB2 MET 79 12.178 -1.613 -4.362 237 HB3 MET 79 HB1 MET 79 10.505 -1.079 -4.414 238 HG2 MET 79 HG2 MET 79 10.006 -2.844 -6.046 239 HG3 MET 79 HG1 MET 79 11.677 -3.393 -5.941 240 HE1 MET 79 HE1 MET 79 10.967 -5.832 -5.351 241 HE2 MET 79 HE2 MET 79 9.266 -5.382 -5.491 242 HE3 MET 79 HE3 MET 79 9.835 -6.258 -4.067 243 H SER 80 HN SER 80 11.353 1.262 -7.852 244 HA SER 80 HA SER 80 8.734 1.947 -7.861 245 HB2 SER 80 HB2 SER 80 10.449 1.730 -10.336 246 HB3 SER 80 HB1 SER 80 9.062 2.800 -10.105 247 HG SER 80 HG SER 80 10.261 3.769 -8.351 248 H ASP 81 HN ASP 81 10.046 -0.927 -9.394 249 HA ASP 81 HA ASP 81 7.610 -1.815 -10.587 250 HB2 ASP 81 HB2 ASP 81 10.100 -3.313 -9.756 251 HB3 ASP 81 HB1 ASP 81 8.732 -4.077 -10.560 252 H ALA 82 HN ALA 82 6.766 -0.885 -8.353 253 HA ALA 82 HA ALA 82 7.202 -1.807 -5.884 254 HB1 ALA 82 HB1 ALA 82 5.828 0.115 -6.507 255 HB2 ALA 82 HB2 ALA 82 5.057 -0.889 -5.277 256 HB3 ALA 82 HB3 ALA 82 4.522 -0.980 -6.957 257 H THR 83 HN THR 83 6.161 -3.058 -4.375 258 HA THR 83 HA THR 83 5.009 -5.551 -5.423 259 HB THR 83 HB THR 83 7.135 -6.019 -4.443 260 HG1 THR 83 HG1 THR 83 5.857 -6.770 -2.153 261 HG21 THR 83 HG21 THR 83 7.429 -3.943 -3.191 262 HG22 THR 83 HG22 THR 83 7.754 -5.345 -2.174 263 HG23 THR 83 HG23 THR 83 6.229 -4.473 -2.013 264 H TRP 84 HN TRP 84 3.306 -6.517 -4.310 265 HA TRP 84 HA TRP 84 1.632 -4.724 -2.776 266 HB2 TRP 84 HB2 TRP 84 1.223 -7.600 -3.641 267 HB3 TRP 84 HB1 TRP 84 0.022 -6.627 -2.800 268 HD1 TRP 84 HD1 TRP 84 1.857 -6.796 -6.192 269 HE1 TRP 84 HE1 TRP 84 0.405 -5.595 -7.944 270 HE3 TRP 84 HE3 TRP 84 -1.812 -5.000 -3.124 271 HZ2 TRP 84 HZ2 TRP 84 -1.983 -4.107 -8.025 272 HZ3 TRP 84 HZ3 TRP 84 -3.646 -3.703 -4.120 273 HH2 TRP 84 HH2 TRP 84 -3.731 -3.264 -6.521 274 H GLU 85 HN GLU 85 2.212 -4.442 -0.735 275 HA GLU 85 HA GLU 85 3.275 -6.718 0.782 276 HB2 GLU 85 HB2 GLU 85 3.359 -3.749 1.367 277 HB3 GLU 85 HB1 GLU 85 4.045 -4.997 2.398 278 HG2 GLU 85 HG2 GLU 85 4.872 -4.425 -0.426 279 HG3 GLU 85 HG1 GLU 85 5.731 -3.886 1.011 280 HA PRO 86 HA PRO 86 -0.338 -6.914 3.307 281 HB2 PRO 86 HB2 PRO 86 0.682 -7.954 5.566 282 HB3 PRO 86 HB1 PRO 86 0.613 -8.880 4.059 283 HG2 PRO 86 HG2 PRO 86 2.931 -7.417 5.278 284 HG3 PRO 86 HG1 PRO 86 2.893 -9.024 4.529 285 HD2 PRO 86 HD2 PRO 86 3.753 -6.765 3.233 286 HD3 PRO 86 HD1 PRO 86 3.044 -8.166 2.405 287 H GLN 87 HN GLN 87 -1.460 -5.846 4.839 288 HA GLN 87 HA GLN 87 -1.094 -3.198 5.170 289 HB2 GLN 87 HB2 GLN 87 -2.586 -5.042 7.031 290 HB3 GLN 87 HB1 GLN 87 -2.791 -3.297 6.963 291 HG2 GLN 87 HG2 GLN 87 -3.669 -3.419 4.749 292 HG3 GLN 87 HG1 GLN 87 -3.280 -5.137 4.636 293 HE21 GLN 87 HE21 GLN 87 -5.416 -2.755 5.994 294 HE22 GLN 87 HE22 GLN 87 -6.638 -3.868 6.519 295 H ASP 88 HN ASP 88 0.021 -5.647 7.501 296 HA ASP 88 HA ASP 88 0.503 -3.659 9.525 297 HB2 ASP 88 HB2 ASP 88 1.304 -6.572 9.402 298 HB3 ASP 88 HB1 ASP 88 1.518 -5.533 10.808 299 H ASN 89 HN ASN 89 2.339 -5.118 6.988 300 HA ASN 89 HA ASN 89 4.850 -4.022 7.953 301 HB2 ASN 89 HB2 ASN 89 4.911 -6.115 6.698 302 HB3 ASN 89 HB1 ASN 89 4.117 -5.344 5.328 303 HD21 ASN 89 HD21 ASN 89 5.303 -4.169 3.911 304 HD22 ASN 89 HD22 ASN 89 7.025 -4.032 3.976 305 H VAL 90 HN VAL 90 2.368 -3.328 5.589 306 HA VAL 90 HA VAL 90 3.589 -1.134 4.305 307 HB VAL 90 HB VAL 90 0.646 -1.727 4.727 308 HG11 VAL 90 HG11 VAL 90 1.992 0.082 2.725 309 HG12 VAL 90 HG12 VAL 90 1.005 0.602 4.093 310 HG13 VAL 90 HG13 VAL 90 0.274 -0.311 2.771 311 HG21 VAL 90 HG21 VAL 90 0.751 -2.662 2.462 312 HG22 VAL 90 HG22 VAL 90 1.785 -3.535 3.593 313 HG23 VAL 90 HG23 VAL 90 2.494 -2.398 2.446 314 H ASP 91 HN ASP 91 3.826 0.955 4.915 315 HA ASP 91 HA ASP 91 3.324 1.739 7.584 316 HB2 ASP 91 HB2 ASP 91 5.155 2.746 6.336 317 HB3 ASP 91 HB1 ASP 91 4.018 3.439 5.180 318 H SER 92 HN SER 92 1.635 2.611 8.495 319 HA SER 92 HA SER 92 -0.836 2.642 7.114 320 HB2 SER 92 HB2 SER 92 -1.541 3.648 9.451 321 HB3 SER 92 HB1 SER 92 -1.062 1.956 9.303 322 HG SER 92 HG SER 92 0.000 3.727 10.887 323 H THR 93 HN THR 93 1.440 5.112 8.008 324 HA THR 93 HA THR 93 -0.340 7.324 7.793 325 HB THR 93 HB THR 93 2.672 7.324 7.469 326 HG1 THR 93 HG1 THR 93 2.770 7.044 9.566 327 HG21 THR 93 HG21 THR 93 2.500 9.650 8.236 328 HG22 THR 93 HG22 THR 93 0.744 9.504 8.278 329 HG23 THR 93 HG23 THR 93 1.599 9.397 6.741 330 H LEU 94 HN LEU 94 2.103 5.927 5.633 331 HA LEU 94 HA LEU 94 1.568 7.563 3.405 332 HB2 LEU 94 HB2 LEU 94 2.602 4.724 3.477 333 HB3 LEU 94 HB1 LEU 94 2.714 5.818 2.108 334 HG LEU 94 HG LEU 94 4.005 6.371 4.777 335 HD11 LEU 94 HD11 LEU 94 6.096 5.659 3.738 336 HD12 LEU 94 HD12 LEU 94 5.211 5.155 2.298 337 HD13 LEU 94 HD13 LEU 94 4.937 4.334 3.836 338 HD21 LEU 94 HD21 LEU 94 4.383 7.568 2.036 339 HD22 LEU 94 HD22 LEU 94 5.326 7.972 3.472 340 HD23 LEU 94 HD23 LEU 94 3.602 8.343 3.415 341 H VAL 95 HN VAL 95 0.318 4.363 4.337 342 HA VAL 95 HA VAL 95 -1.140 3.935 1.976 343 HB VAL 95 HB VAL 95 -0.546 2.223 3.805 344 HG11 VAL 95 HG11 VAL 95 -1.634 3.359 5.678 345 HG12 VAL 95 HG12 VAL 95 -2.271 1.732 5.429 346 HG13 VAL 95 HG13 VAL 95 -3.199 3.133 4.898 347 HG21 VAL 95 HG21 VAL 95 -1.735 1.631 1.808 348 HG22 VAL 95 HG22 VAL 95 -3.246 2.238 2.485 349 HG23 VAL 95 HG23 VAL 95 -2.471 0.820 3.188 350 H LEU 96 HN LEU 96 -1.951 5.606 4.963 351 HA LEU 96 HA LEU 96 -4.702 5.887 4.587 352 HB2 LEU 96 HB2 LEU 96 -3.394 6.472 6.641 353 HB3 LEU 96 HB1 LEU 96 -2.827 7.909 5.818 354 HG LEU 96 HG LEU 96 -5.775 7.517 6.070 355 HD11 LEU 96 HD11 LEU 96 -4.934 6.984 8.298 356 HD12 LEU 96 HD12 LEU 96 -5.737 8.553 8.287 357 HD13 LEU 96 HD13 LEU 96 -3.976 8.465 8.299 358 HD21 LEU 96 HD21 LEU 96 -5.732 9.947 6.254 359 HD22 LEU 96 HD22 LEU 96 -4.849 9.421 4.820 360 HD23 LEU 96 HD23 LEU 96 -3.969 9.929 6.262 361 H LEU 97 HN LEU 97 -1.992 7.588 3.156 362 HA LEU 97 HA LEU 97 -3.424 9.798 2.114 363 HB2 LEU 97 HB2 LEU 97 -0.952 8.519 0.941 364 HB3 LEU 97 HB1 LEU 97 -1.492 10.172 0.721 365 HG LEU 97 HG LEU 97 -0.506 8.975 3.309 366 HD11 LEU 97 HD11 LEU 97 1.280 9.289 1.692 367 HD12 LEU 97 HD12 LEU 97 1.407 10.460 3.004 368 HD13 LEU 97 HD13 LEU 97 0.771 10.958 1.436 369 HD21 LEU 97 HD21 LEU 97 -1.323 11.795 2.637 370 HD22 LEU 97 HD22 LEU 97 -0.619 11.258 4.163 371 HD23 LEU 97 HD23 LEU 97 -2.210 10.675 3.670 372 H TYR 98 HN TYR 98 -2.989 6.522 1.115 373 HA TYR 98 HA TYR 98 -4.033 6.997 -1.555 374 HB2 TYR 98 HB2 TYR 98 -2.265 5.360 -1.344 375 HB3 TYR 98 HB1 TYR 98 -3.182 4.466 -0.135 376 HD1 TYR 98 HD2 TYR 98 -3.640 5.722 -3.627 377 HD2 TYR 98 HD1 TYR 98 -4.237 2.562 -0.849 378 HE1 TYR 98 HE2 TYR 98 -4.634 4.354 -5.411 379 HE2 TYR 98 HE1 TYR 98 -5.232 1.183 -2.622 380 HH TYR 98 HH TYR 98 -5.056 2.028 -5.936 381 H GLN 99 HN GLN 99 -5.016 5.515 1.482 382 HA GLN 99 HA GLN 99 -7.473 4.461 0.622 383 HB2 GLN 99 HB2 GLN 99 -6.732 5.497 3.364 384 HB3 GLN 99 HB1 GLN 99 -8.110 4.468 3.000 385 HG2 GLN 99 HG2 GLN 99 -6.586 2.709 2.239 386 HG3 GLN 99 HG1 GLN 99 -5.213 3.738 2.640 387 HE21 GLN 99 HE21 GLN 99 -6.603 4.774 5.031 388 HE22 GLN 99 HE22 GLN 99 -6.484 3.518 6.210 389 H GLN 100 HN GLN 100 -6.530 7.704 1.556 390 HA GLN 100 HA GLN 100 -9.174 8.756 1.682 391 HB2 GLN 100 HB2 GLN 100 -6.508 10.098 1.237 392 HB3 GLN 100 HB1 GLN 100 -8.021 10.974 1.412 393 HG2 GLN 100 HG2 GLN 100 -6.745 9.189 3.470 394 HG3 GLN 100 HG1 GLN 100 -6.810 10.951 3.500 395 HE21 GLN 100 HE21 GLN 100 -8.775 11.974 3.925 396 HE22 GLN 100 HE22 GLN 100 -10.101 11.136 4.666 397 H GLN 101 HN GLN 101 -7.047 7.972 -0.918 398 HA GLN 101 HA GLN 101 -8.513 9.608 -2.837 399 HB2 GLN 101 HB2 GLN 101 -6.192 7.711 -3.252 400 HB3 GLN 101 HB1 GLN 101 -6.880 8.766 -4.479 401 HG2 GLN 101 HG2 GLN 101 -5.455 9.602 -1.968 402 HG3 GLN 101 HG1 GLN 101 -4.859 9.733 -3.621 403 HE21 GLN 101 HE21 GLN 101 -5.744 11.301 -4.995 404 HE22 GLN 101 HE22 GLN 101 -6.626 12.661 -4.366 405 H GLN 102 HN GLN 102 -8.486 6.442 -1.587 406 HA GLN 102 HA GLN 102 -9.817 5.179 -3.809 407 HB2 GLN 102 HB2 GLN 102 -9.196 4.344 -0.983 408 HB3 GLN 102 HB1 GLN 102 -10.229 3.370 -2.018 409 HG2 GLN 102 HG2 GLN 102 -7.403 4.161 -2.668 410 HG3 GLN 102 HG1 GLN 102 -7.886 2.614 -1.974 411 HE21 GLN 102 HE21 GLN 102 -7.870 4.603 -4.815 412 HE22 GLN 102 HE22 GLN 102 -8.348 3.373 -5.928 413 HA PRO 103 HA PRO 103 -13.976 6.212 -2.553 414 HB2 PRO 103 HB2 PRO 103 -14.881 3.718 -3.780 415 HB3 PRO 103 HB1 PRO 103 -15.190 5.376 -4.297 416 HG2 PRO 103 HG2 PRO 103 -13.600 3.687 -5.692 417 HG3 PRO 103 HG1 PRO 103 -13.337 5.440 -5.653 418 HD2 PRO 103 HD2 PRO 103 -11.929 3.278 -4.127 419 HD3 PRO 103 HD1 PRO 103 -11.257 4.724 -4.913 420 H MET 104 HN MET 104 -13.551 5.903 -0.396 421 HA MET 104 HA MET 104 -14.274 3.276 0.701 422 HB2 MET 104 HB2 MET 104 -11.857 3.728 0.813 423 HB3 MET 104 HB1 MET 104 -12.181 5.218 1.680 424 HG2 MET 104 HG2 MET 104 -13.194 3.885 3.508 425 HG3 MET 104 HG1 MET 104 -12.729 2.418 2.648 426 HE1 MET 104 HE1 MET 104 -9.722 5.485 4.341 427 HE2 MET 104 HE2 MET 104 -11.471 5.616 4.538 428 HE3 MET 104 HE3 MET 104 -10.746 5.802 2.940 429 H ASN 105 HN ASN 105 -16.410 4.033 0.946 430 HA ASN 105 HA ASN 105 -16.785 6.360 2.696 431 HB2 ASN 105 HB2 ASN 105 -18.713 4.887 0.894 432 HB3 ASN 105 HB1 ASN 105 -19.189 6.185 1.984 433 HD21 ASN 105 HD21 ASN 105 -16.730 7.696 1.553 434 HD22 ASN 105 HD22 ASN 105 -16.872 8.398 -0.022 435 H GLU 106 HN GLU 106 -17.803 3.007 2.280 436 HA GLU 106 HA GLU 106 -18.753 1.486 3.648 437 HB2 GLU 106 HB2 GLU 106 -17.325 3.084 5.782 438 HB3 GLU 106 HB1 GLU 106 -18.051 1.503 6.029 439 HG2 GLU 106 HG2 GLU 106 -15.781 2.128 4.157 440 HG3 GLU 106 HG1 GLU 106 -15.645 1.343 5.730 Start of MODEL 5 1 H1 GLY 49 HT1 GLY 49 18.644 2.306 9.751 2 H2 GLY 49 HT2 GLY 49 19.200 0.713 9.621 3 H3 GLY 49 HT3 GLY 49 17.539 1.021 9.768 4 HA2 GLY 49 HA1 GLY 49 17.572 2.182 7.628 5 HA3 GLY 49 HA2 GLY 49 19.270 1.743 7.472 6 H LEU 50 HN LEU 50 17.059 1.019 5.729 7 HA LEU 50 HA LEU 50 16.771 -1.855 6.285 8 HB2 LEU 50 HB2 LEU 50 15.173 -0.010 4.513 9 HB3 LEU 50 HB1 LEU 50 14.978 -1.749 4.505 10 HG LEU 50 HG LEU 50 13.221 -0.893 5.825 11 HD11 LEU 50 HD11 LEU 50 15.384 -1.847 7.696 12 HD12 LEU 50 HD12 LEU 50 14.285 -2.865 6.762 13 HD13 LEU 50 HD13 LEU 50 13.652 -1.826 8.039 14 HD21 LEU 50 HD21 LEU 50 15.277 0.716 7.332 15 HD22 LEU 50 HD22 LEU 50 13.563 0.610 7.735 16 HD23 LEU 50 HD23 LEU 50 14.068 1.344 6.213 17 H GLU 51 HN GLU 51 18.902 -0.073 4.793 18 HA GLU 51 HA GLU 51 20.312 -0.217 3.034 19 HB2 GLU 51 HB2 GLU 51 19.461 -3.117 3.029 20 HB3 GLU 51 HB1 GLU 51 20.867 -2.464 2.197 21 HG2 GLU 51 HG2 GLU 51 21.695 -1.696 4.450 22 HG3 GLU 51 HG1 GLU 51 20.396 -2.654 5.157 23 H TYR 52 HN TYR 52 18.681 1.148 2.016 24 HA TYR 52 HA TYR 52 17.701 1.881 0.126 25 HB2 TYR 52 HB2 TYR 52 18.465 -0.829 -0.966 26 HB3 TYR 52 HB1 TYR 52 17.704 0.435 -1.928 27 HD1 TYR 52 HD1 TYR 52 18.925 2.467 -2.500 28 HD2 TYR 52 HD2 TYR 52 20.781 -0.651 -0.283 29 HE1 TYR 52 HE1 TYR 52 21.124 3.459 -2.958 30 HE2 TYR 52 HE2 TYR 52 22.987 0.332 -0.736 31 HH TYR 52 HH TYR 52 23.385 3.461 -1.959 32 H ALA 53 HN ALA 53 15.871 1.220 -1.480 33 HA ALA 53 HA ALA 53 13.697 0.737 -1.797 34 HB1 ALA 53 HB1 ALA 53 14.353 -1.605 -1.417 35 HB2 ALA 53 HB2 ALA 53 12.710 -1.248 -0.885 36 HB3 ALA 53 HB3 ALA 53 14.007 -1.401 0.302 37 H VAL 54 HN VAL 54 13.264 2.792 -0.982 38 HA VAL 54 HA VAL 54 12.044 2.830 1.696 39 HB VAL 54 HB VAL 54 12.903 5.160 -0.039 40 HG11 VAL 54 HG11 VAL 54 12.446 6.540 1.944 41 HG12 VAL 54 HG12 VAL 54 11.807 5.121 2.774 42 HG13 VAL 54 HG13 VAL 54 10.992 5.748 1.342 43 HG21 VAL 54 HG21 VAL 54 14.648 5.502 1.651 44 HG22 VAL 54 HG22 VAL 54 14.809 3.940 0.850 45 HG23 VAL 54 HG23 VAL 54 14.131 4.031 2.476 46 H ALA 55 HN ALA 55 9.880 2.705 1.751 47 HA ALA 55 HA ALA 55 8.209 2.819 -0.503 48 HB1 ALA 55 HB1 ALA 55 7.491 3.184 2.404 49 HB2 ALA 55 HB2 ALA 55 7.624 1.640 1.563 50 HB3 ALA 55 HB3 ALA 55 6.372 2.791 1.101 51 H GLU 56 HN GLU 56 7.458 4.496 -1.616 52 HA GLU 56 HA GLU 56 7.806 7.189 -0.564 53 HB2 GLU 56 HB2 GLU 56 6.768 6.306 -3.262 54 HB3 GLU 56 HB1 GLU 56 7.226 7.941 -2.806 55 HG2 GLU 56 HG2 GLU 56 9.542 7.145 -2.456 56 HG3 GLU 56 HG1 GLU 56 9.048 5.561 -3.052 57 H SER 57 HN SER 57 5.176 5.310 -2.063 58 HA SER 57 HA SER 57 3.241 6.273 -0.169 59 HB2 SER 57 HB2 SER 57 3.053 7.174 -3.062 60 HB3 SER 57 HB1 SER 57 1.776 7.357 -1.859 61 HG SER 57 HG SER 57 4.120 8.346 -0.939 62 H VAL 58 HN VAL 58 1.027 5.382 -0.726 63 HA VAL 58 HA VAL 58 1.313 2.772 -2.047 64 HB VAL 58 HB VAL 58 -0.806 3.775 -0.133 65 HG11 VAL 58 HG11 VAL 58 -0.467 1.041 -1.360 66 HG12 VAL 58 HG12 VAL 58 -1.748 2.196 -1.735 67 HG13 VAL 58 HG13 VAL 58 -1.651 1.479 -0.125 68 HG21 VAL 58 HG21 VAL 58 1.391 1.740 0.239 69 HG22 VAL 58 HG22 VAL 58 0.162 2.162 1.430 70 HG23 VAL 58 HG23 VAL 58 1.352 3.362 0.930 71 H ILE 59 HN ILE 59 0.213 2.336 -3.905 72 HA ILE 59 HA ILE 59 -1.688 4.394 -4.813 73 HB ILE 59 HB ILE 59 -0.812 4.469 -7.008 74 HG12 ILE 59 HG12 ILE 59 -0.227 2.161 -7.429 75 HG13 ILE 59 HG11 ILE 59 1.179 3.169 -7.745 76 HG21 ILE 59 HG21 ILE 59 1.461 5.302 -6.676 77 HG22 ILE 59 HG22 ILE 59 1.493 4.560 -5.076 78 HG23 ILE 59 HG23 ILE 59 0.357 5.864 -5.421 79 HD11 ILE 59 HD11 ILE 59 1.894 1.192 -6.649 80 HD12 ILE 59 HD12 ILE 59 0.700 1.399 -5.366 81 HD13 ILE 59 HD13 ILE 59 2.052 2.529 -5.508 82 H GLY 60 HN GLY 60 -1.542 1.290 -3.955 83 HA2 GLY 60 HA2 GLY 60 -3.755 0.592 -5.724 84 HA3 GLY 60 HA1 GLY 60 -2.357 -0.464 -5.765 85 H LYS 61 HN LYS 61 -5.006 -1.243 -4.995 86 HA LYS 61 HA LYS 61 -4.438 -2.229 -2.305 87 HB2 LYS 61 HB2 LYS 61 -5.744 -0.175 -1.969 88 HB3 LYS 61 HB1 LYS 61 -6.997 -0.789 -3.035 89 HG2 LYS 61 HG2 LYS 61 -7.489 -2.576 -1.466 90 HG3 LYS 61 HG1 LYS 61 -6.187 -2.025 -0.407 91 HD2 LYS 61 HD2 LYS 61 -7.335 0.150 -0.188 92 HD3 LYS 61 HD1 LYS 61 -8.661 -0.474 -1.170 93 HE2 LYS 61 HE2 LYS 61 -9.107 -2.188 0.507 94 HE3 LYS 61 HE1 LYS 61 -7.751 -1.610 1.475 95 HZ1 LYS 61 HZ1 LYS 61 -9.812 -0.733 2.335 96 HZ2 LYS 61 HZ2 LYS 61 -10.220 -0.089 0.826 97 HZ3 LYS 61 HZ3 LYS 61 -8.899 0.537 1.682 98 H ARG 62 HN ARG 62 -4.948 -4.323 -2.129 99 HA ARG 62 HA ARG 62 -6.982 -5.446 -3.950 100 HB2 ARG 62 HB2 ARG 62 -4.402 -6.642 -2.953 101 HB3 ARG 62 HB1 ARG 62 -5.724 -7.654 -3.517 102 HG2 ARG 62 HG2 ARG 62 -4.347 -5.538 -5.147 103 HG3 ARG 62 HG1 ARG 62 -4.031 -7.274 -5.236 104 HD2 ARG 62 HD2 ARG 62 -6.340 -7.668 -5.895 105 HD3 ARG 62 HD1 ARG 62 -6.675 -5.942 -5.772 106 HE ARG 62 HE ARG 62 -4.601 -6.840 -7.637 107 HH11 ARG 62 HH11 ARG 62 -7.814 -5.564 -7.093 108 HH12 ARG 62 HH12 ARG 62 -8.021 -5.001 -8.725 109 HH21 ARG 62 HH21 ARG 62 -4.864 -6.117 -9.801 110 HH22 ARG 62 HH22 ARG 62 -6.357 -5.357 -10.274 111 H VAL 63 HN VAL 63 -8.705 -6.306 -2.978 112 HA VAL 63 HA VAL 63 -8.424 -7.139 -0.171 113 HB VAL 63 HB VAL 63 -9.755 -5.122 -0.203 114 HG11 VAL 63 HG11 VAL 63 -11.557 -6.514 -2.178 115 HG12 VAL 63 HG12 VAL 63 -10.485 -5.161 -2.529 116 HG13 VAL 63 HG13 VAL 63 -11.855 -4.940 -1.440 117 HG21 VAL 63 HG21 VAL 63 -11.846 -5.951 0.800 118 HG22 VAL 63 HG22 VAL 63 -10.425 -6.812 1.391 119 HG23 VAL 63 HG23 VAL 63 -11.476 -7.565 0.193 120 H GLY 64 HN GLY 64 -8.845 -9.225 0.180 121 HA2 GLY 64 HA2 GLY 64 -9.616 -10.874 -2.034 122 HA3 GLY 64 HA1 GLY 64 -9.268 -11.418 -0.399 123 H ASP 65 HN ASP 65 -11.576 -11.419 -2.648 124 HA ASP 65 HA ASP 65 -13.930 -10.755 -1.201 125 HB2 ASP 65 HB2 ASP 65 -13.452 -12.512 -3.615 126 HB3 ASP 65 HB1 ASP 65 -15.055 -12.224 -2.953 127 H ASP 66 HN ASP 66 -11.946 -13.601 -1.482 128 HA ASP 66 HA ASP 66 -13.844 -15.312 -0.118 129 HB2 ASP 66 HB2 ASP 66 -10.992 -15.771 -1.008 130 HB3 ASP 66 HB1 ASP 66 -12.000 -17.000 -0.253 131 H GLY 67 HN GLY 67 -12.624 -12.875 1.180 132 HA2 GLY 67 HA2 GLY 67 -12.109 -12.372 3.384 133 HA3 GLY 67 HA1 GLY 67 -12.040 -14.098 3.726 134 H LYS 68 HN LYS 68 -10.256 -13.002 1.045 135 HA LYS 68 HA LYS 68 -7.776 -13.828 2.191 136 HB2 LYS 68 HB2 LYS 68 -8.325 -12.372 -0.404 137 HB3 LYS 68 HB1 LYS 68 -6.808 -13.146 0.032 138 HG2 LYS 68 HG2 LYS 68 -9.444 -14.559 -0.313 139 HG3 LYS 68 HG1 LYS 68 -8.153 -14.496 -1.513 140 HD2 LYS 68 HD2 LYS 68 -6.666 -15.697 -0.052 141 HD3 LYS 68 HD1 LYS 68 -7.839 -15.625 1.264 142 HE2 LYS 68 HE2 LYS 68 -9.379 -17.008 -0.008 143 HE3 LYS 68 HE1 LYS 68 -8.253 -17.043 -1.364 144 HZ1 LYS 68 HZ1 LYS 68 -6.713 -18.293 -0.100 145 HZ2 LYS 68 HZ2 LYS 68 -8.217 -19.046 0.095 146 HZ3 LYS 68 HZ3 LYS 68 -7.586 -18.074 1.336 147 H THR 69 HN THR 69 -5.971 -12.570 2.605 148 HA THR 69 HA THR 69 -6.460 -10.320 4.161 149 HB THR 69 HB THR 69 -3.834 -11.136 2.904 150 HG1 THR 69 HG1 THR 69 -4.067 -11.896 5.461 151 HG21 THR 69 HG21 THR 69 -3.814 -8.897 3.893 152 HG22 THR 69 HG22 THR 69 -2.840 -10.021 4.844 153 HG23 THR 69 HG23 THR 69 -4.447 -9.554 5.403 154 H ILE 70 HN ILE 70 -6.388 -8.162 3.816 155 HA ILE 70 HA ILE 70 -6.427 -7.157 1.140 156 HB ILE 70 HB ILE 70 -6.314 -5.615 3.739 157 HG12 ILE 70 HG12 ILE 70 -8.687 -6.413 2.035 158 HG13 ILE 70 HG11 ILE 70 -8.280 -7.101 3.603 159 HG21 ILE 70 HG21 ILE 70 -7.071 -4.755 0.947 160 HG22 ILE 70 HG22 ILE 70 -5.632 -4.266 1.843 161 HG23 ILE 70 HG23 ILE 70 -7.230 -3.763 2.397 162 HD11 ILE 70 HD11 ILE 70 -8.643 -4.924 4.646 163 HD12 ILE 70 HD12 ILE 70 -10.076 -5.485 3.788 164 HD13 ILE 70 HD13 ILE 70 -9.048 -4.241 3.073 165 H GLU 71 HN GLU 71 -4.734 -6.672 -0.037 166 HA GLU 71 HA GLU 71 -2.203 -6.032 1.316 167 HB2 GLU 71 HB2 GLU 71 -2.699 -7.429 -1.316 168 HB3 GLU 71 HB1 GLU 71 -1.115 -6.861 -0.801 169 HG2 GLU 71 HG2 GLU 71 -1.059 -8.352 1.019 170 HG3 GLU 71 HG1 GLU 71 -2.768 -8.737 0.846 171 H TYR 72 HN TYR 72 -0.824 -4.521 0.263 172 HA TYR 72 HA TYR 72 -2.313 -2.541 -1.337 173 HB2 TYR 72 HB2 TYR 72 -0.653 -2.164 1.122 174 HB3 TYR 72 HB1 TYR 72 -0.731 -0.877 -0.077 175 HD1 TYR 72 HD1 TYR 72 -3.088 -0.124 -0.800 176 HD2 TYR 72 HD2 TYR 72 -2.274 -2.293 2.772 177 HE1 TYR 72 HE1 TYR 72 -5.210 0.672 0.171 178 HE2 TYR 72 HE2 TYR 72 -4.387 -1.500 3.746 179 HH TYR 72 HH TYR 72 -5.972 0.301 3.494 180 H LEU 73 HN LEU 73 -1.336 -1.800 -3.089 181 HA LEU 73 HA LEU 73 1.306 -2.731 -3.766 182 HB2 LEU 73 HB2 LEU 73 -0.828 -2.163 -5.278 183 HB3 LEU 73 HB1 LEU 73 -0.057 -0.599 -5.339 184 HG LEU 73 HG LEU 73 1.050 -3.216 -6.332 185 HD11 LEU 73 HD11 LEU 73 1.107 -2.068 -8.478 186 HD12 LEU 73 HD12 LEU 73 0.426 -0.623 -7.732 187 HD13 LEU 73 HD13 LEU 73 -0.527 -2.105 -7.817 188 HD21 LEU 73 HD21 LEU 73 2.855 -2.032 -5.255 189 HD22 LEU 73 HD22 LEU 73 2.450 -0.560 -6.140 190 HD23 LEU 73 HD23 LEU 73 3.047 -1.977 -7.006 191 H VAL 74 HN VAL 74 2.852 -1.846 -2.563 192 HA VAL 74 HA VAL 74 2.765 0.999 -1.915 193 HB VAL 74 HB VAL 74 4.724 -1.120 -1.012 194 HG11 VAL 74 HG11 VAL 74 5.373 0.528 0.689 195 HG12 VAL 74 HG12 VAL 74 4.294 1.707 -0.061 196 HG13 VAL 74 HG13 VAL 74 5.693 1.098 -0.951 197 HG21 VAL 74 HG21 VAL 74 3.537 -1.000 1.142 198 HG22 VAL 74 HG22 VAL 74 2.503 -1.593 -0.162 199 HG23 VAL 74 HG23 VAL 74 2.343 0.070 0.406 200 H LYS 75 HN LYS 75 3.801 2.422 -3.119 201 HA LYS 75 HA LYS 75 5.602 1.515 -5.200 202 HB2 LYS 75 HB2 LYS 75 3.760 3.584 -4.966 203 HB3 LYS 75 HB1 LYS 75 5.307 4.408 -4.865 204 HG2 LYS 75 HG2 LYS 75 4.460 2.559 -7.087 205 HG3 LYS 75 HG1 LYS 75 4.425 4.322 -7.149 206 HD2 LYS 75 HD2 LYS 75 6.880 4.304 -6.701 207 HD3 LYS 75 HD1 LYS 75 6.842 2.550 -6.868 208 HE2 LYS 75 HE2 LYS 75 5.958 4.489 -8.999 209 HE3 LYS 75 HE1 LYS 75 7.557 3.754 -8.927 210 HZ1 LYS 75 HZ1 LYS 75 6.138 2.559 -10.442 211 HZ2 LYS 75 HZ2 LYS 75 4.978 2.299 -9.236 212 HZ3 LYS 75 HZ3 LYS 75 6.509 1.573 -9.123 213 H TRP 76 HN TRP 76 7.569 0.990 -4.408 214 HA TRP 76 HA TRP 76 8.876 2.651 -2.417 215 HB2 TRP 76 HB2 TRP 76 9.910 0.205 -3.878 216 HB3 TRP 76 HB1 TRP 76 10.666 0.975 -2.487 217 HD1 TRP 76 HD1 TRP 76 7.473 -1.011 -3.380 218 HE1 TRP 76 HE1 TRP 76 6.643 -2.200 -1.254 219 HE3 TRP 76 HE3 TRP 76 10.820 0.889 -0.034 220 HZ2 TRP 76 HZ2 TRP 76 7.329 -2.306 1.488 221 HZ3 TRP 76 HZ3 TRP 76 10.677 0.186 2.317 222 HH2 TRP 76 HH2 TRP 76 8.963 -1.384 3.059 223 H THR 77 HN THR 77 10.962 3.643 -2.791 224 HA THR 77 HA THR 77 11.031 4.943 -5.336 225 HB THR 77 HB THR 77 11.602 6.260 -3.410 226 HG1 THR 77 HG1 THR 77 12.789 6.603 -5.443 227 HG21 THR 77 HG21 THR 77 13.913 4.369 -2.970 228 HG22 THR 77 HG22 THR 77 12.479 4.511 -1.955 229 HG23 THR 77 HG23 THR 77 13.611 5.857 -2.068 230 H ASP 78 HN ASP 78 13.292 2.737 -3.679 231 HA ASP 78 HA ASP 78 14.913 2.451 -6.047 232 HB2 ASP 78 HB2 ASP 78 14.977 0.741 -3.547 233 HB3 ASP 78 HB1 ASP 78 16.256 0.928 -4.744 234 H MET 79 HN MET 79 12.485 0.647 -4.330 235 HA MET 79 HA MET 79 12.493 -1.512 -6.264 236 HB2 MET 79 HB2 MET 79 10.895 -1.070 -3.742 237 HB3 MET 79 HB1 MET 79 10.634 -2.429 -4.827 238 HG2 MET 79 HG2 MET 79 12.949 -3.149 -4.457 239 HG3 MET 79 HG1 MET 79 13.170 -1.809 -3.331 240 HE1 MET 79 HE1 MET 79 9.939 -4.025 -3.801 241 HE2 MET 79 HE2 MET 79 10.233 -5.304 -2.622 242 HE3 MET 79 HE3 MET 79 11.264 -5.165 -4.046 243 H SER 80 HN SER 80 11.897 0.963 -7.345 244 HA SER 80 HA SER 80 9.337 1.845 -7.609 245 HB2 SER 80 HB2 SER 80 10.054 2.253 -10.088 246 HB3 SER 80 HB1 SER 80 10.949 3.037 -8.785 247 HG SER 80 HG SER 80 12.590 2.130 -9.776 248 H ASP 81 HN ASP 81 10.618 -1.132 -8.870 249 HA ASP 81 HA ASP 81 8.342 -1.934 -10.393 250 HB2 ASP 81 HB2 ASP 81 9.359 -4.243 -10.107 251 HB3 ASP 81 HB1 ASP 81 10.405 -3.043 -10.858 252 H ALA 82 HN ALA 82 7.314 -0.854 -8.245 253 HA ALA 82 HA ALA 82 7.279 -1.865 -5.757 254 HB1 ALA 82 HB1 ALA 82 5.224 -0.686 -5.420 255 HB2 ALA 82 HB2 ALA 82 4.880 -0.713 -7.149 256 HB3 ALA 82 HB3 ALA 82 6.242 0.228 -6.535 257 H THR 83 HN THR 83 5.923 -3.096 -4.475 258 HA THR 83 HA THR 83 4.524 -5.271 -5.868 259 HB THR 83 HB THR 83 6.762 -6.044 -5.194 260 HG1 THR 83 HG1 THR 83 6.064 -7.888 -4.125 261 HG21 THR 83 HG21 THR 83 7.142 -4.524 -3.324 262 HG22 THR 83 HG22 THR 83 7.363 -6.200 -2.824 263 HG23 THR 83 HG23 THR 83 5.886 -5.339 -2.391 264 H TRP 84 HN TRP 84 3.080 -6.497 -4.452 265 HA TRP 84 HA TRP 84 1.501 -4.668 -2.865 266 HB2 TRP 84 HB2 TRP 84 0.988 -7.536 -3.683 267 HB3 TRP 84 HB1 TRP 84 -0.169 -6.489 -2.866 268 HD1 TRP 84 HD1 TRP 84 1.670 -6.800 -6.243 269 HE1 TRP 84 HE1 TRP 84 0.287 -5.562 -8.028 270 HE3 TRP 84 HE3 TRP 84 -1.926 -4.789 -3.231 271 HZ2 TRP 84 HZ2 TRP 84 -2.024 -3.962 -8.145 272 HZ3 TRP 84 HZ3 TRP 84 -3.683 -3.413 -4.255 273 HH2 TRP 84 HH2 TRP 84 -3.733 -3.007 -6.663 274 H GLU 85 HN GLU 85 2.115 -4.375 -0.864 275 HA GLU 85 HA GLU 85 3.182 -6.610 0.714 276 HB2 GLU 85 HB2 GLU 85 3.202 -3.616 1.139 277 HB3 GLU 85 HB1 GLU 85 3.791 -4.768 2.330 278 HG2 GLU 85 HG2 GLU 85 4.849 -4.633 -0.470 279 HG3 GLU 85 HG1 GLU 85 5.529 -3.697 0.861 280 HA PRO 86 HA PRO 86 -0.509 -6.813 3.190 281 HB2 PRO 86 HB2 PRO 86 0.491 -7.830 5.473 282 HB3 PRO 86 HB1 PRO 86 0.396 -8.792 3.993 283 HG2 PRO 86 HG2 PRO 86 2.746 -7.371 5.178 284 HG3 PRO 86 HG1 PRO 86 2.665 -8.985 4.448 285 HD2 PRO 86 HD2 PRO 86 3.587 -6.775 3.126 286 HD3 PRO 86 HD1 PRO 86 2.836 -8.161 2.312 287 H GLN 87 HN GLN 87 -1.596 -5.677 4.750 288 HA GLN 87 HA GLN 87 -0.936 -3.043 5.168 289 HB2 GLN 87 HB2 GLN 87 -2.786 -4.800 6.781 290 HB3 GLN 87 HB1 GLN 87 -2.730 -3.048 6.913 291 HG2 GLN 87 HG2 GLN 87 -3.404 -2.845 4.583 292 HG3 GLN 87 HG1 GLN 87 -3.438 -4.603 4.433 293 HE21 GLN 87 HE21 GLN 87 -5.569 -2.602 4.111 294 HE22 GLN 87 HE22 GLN 87 -6.826 -3.075 5.199 295 H ASP 88 HN ASP 88 -0.101 -5.775 7.167 296 HA ASP 88 HA ASP 88 0.612 -4.453 9.527 297 HB2 ASP 88 HB2 ASP 88 0.415 -6.912 9.287 298 HB3 ASP 88 HB1 ASP 88 1.882 -6.920 8.316 299 H ASN 89 HN ASN 89 2.441 -5.079 6.582 300 HA ASN 89 HA ASN 89 4.838 -3.827 7.671 301 HB2 ASN 89 HB2 ASN 89 5.097 -5.887 6.367 302 HB3 ASN 89 HB1 ASN 89 4.303 -5.127 4.990 303 HD21 ASN 89 HD21 ASN 89 5.453 -3.820 3.660 304 HD22 ASN 89 HD22 ASN 89 7.154 -3.564 3.803 305 H VAL 90 HN VAL 90 2.223 -3.178 5.482 306 HA VAL 90 HA VAL 90 3.380 -1.056 4.027 307 HB VAL 90 HB VAL 90 0.458 -1.540 4.662 308 HG11 VAL 90 HG11 VAL 90 0.016 -0.186 2.671 309 HG12 VAL 90 HG12 VAL 90 1.743 0.133 2.506 310 HG13 VAL 90 HG13 VAL 90 0.861 0.747 3.908 311 HG21 VAL 90 HG21 VAL 90 0.375 -2.578 2.449 312 HG22 VAL 90 HG22 VAL 90 1.483 -3.428 3.524 313 HG23 VAL 90 HG23 VAL 90 2.115 -2.352 2.280 314 H ASP 91 HN ASP 91 3.772 0.986 4.540 315 HA ASP 91 HA ASP 91 3.492 1.985 7.157 316 HB2 ASP 91 HB2 ASP 91 5.226 2.774 5.598 317 HB3 ASP 91 HB1 ASP 91 3.984 3.493 4.577 318 H SER 92 HN SER 92 1.894 3.031 8.133 319 HA SER 92 HA SER 92 -0.669 3.039 6.883 320 HB2 SER 92 HB2 SER 92 -1.377 3.961 9.142 321 HB3 SER 92 HB1 SER 92 -0.567 2.393 9.173 322 HG SER 92 HG SER 92 0.528 3.488 10.673 323 H THR 93 HN THR 93 1.727 5.448 7.631 324 HA THR 93 HA THR 93 0.020 7.722 7.463 325 HB THR 93 HB THR 93 2.965 7.758 6.827 326 HG1 THR 93 HG1 THR 93 3.423 7.167 8.795 327 HG21 THR 93 HG21 THR 93 1.156 9.706 8.259 328 HG22 THR 93 HG22 THR 93 1.723 9.854 6.597 329 HG23 THR 93 HG23 THR 93 2.871 9.941 7.933 330 H LEU 94 HN LEU 94 2.074 5.946 5.250 331 HA LEU 94 HA LEU 94 1.615 7.665 3.015 332 HB2 LEU 94 HB2 LEU 94 2.641 4.830 3.086 333 HB3 LEU 94 HB1 LEU 94 2.773 5.944 1.735 334 HG LEU 94 HG LEU 94 4.065 6.334 4.433 335 HD11 LEU 94 HD11 LEU 94 5.070 4.482 3.277 336 HD12 LEU 94 HD12 LEU 94 6.161 5.869 3.244 337 HD13 LEU 94 HD13 LEU 94 5.228 5.442 1.807 338 HD21 LEU 94 HD21 LEU 94 3.531 8.437 3.313 339 HD22 LEU 94 HD22 LEU 94 4.362 7.878 1.860 340 HD23 LEU 94 HD23 LEU 94 5.271 8.154 3.347 341 H VAL 95 HN VAL 95 0.291 4.534 4.078 342 HA VAL 95 HA VAL 95 -1.296 4.134 1.777 343 HB VAL 95 HB VAL 95 -0.714 2.418 3.608 344 HG11 VAL 95 HG11 VAL 95 -1.627 3.661 5.510 345 HG12 VAL 95 HG12 VAL 95 -2.366 2.066 5.337 346 HG13 VAL 95 HG13 VAL 95 -3.242 3.508 4.821 347 HG21 VAL 95 HG21 VAL 95 -2.059 1.879 1.692 348 HG22 VAL 95 HG22 VAL 95 -3.488 2.569 2.463 349 HG23 VAL 95 HG23 VAL 95 -2.738 1.120 3.134 350 H LEU 96 HN LEU 96 -1.770 5.954 4.710 351 HA LEU 96 HA LEU 96 -4.501 6.488 4.559 352 HB2 LEU 96 HB2 LEU 96 -3.042 7.093 6.459 353 HB3 LEU 96 HB1 LEU 96 -2.284 8.327 5.472 354 HG LEU 96 HG LEU 96 -4.501 9.465 5.297 355 HD11 LEU 96 HD11 LEU 96 -5.914 7.521 5.750 356 HD12 LEU 96 HD12 LEU 96 -6.262 8.848 6.859 357 HD13 LEU 96 HD13 LEU 96 -5.308 7.469 7.405 358 HD21 LEU 96 HD21 LEU 96 -4.443 10.394 7.553 359 HD22 LEU 96 HD22 LEU 96 -2.817 10.198 6.897 360 HD23 LEU 96 HD23 LEU 96 -3.433 9.049 8.084 361 H LEU 97 HN LEU 97 -1.792 7.795 2.759 362 HA LEU 97 HA LEU 97 -3.087 10.100 1.739 363 HB2 LEU 97 HB2 LEU 97 -0.860 8.533 0.437 364 HB3 LEU 97 HB1 LEU 97 -1.260 10.218 0.167 365 HG LEU 97 HG LEU 97 -0.146 9.046 2.715 366 HD11 LEU 97 HD11 LEU 97 1.089 10.849 0.644 367 HD12 LEU 97 HD12 LEU 97 1.495 9.157 0.938 368 HD13 LEU 97 HD13 LEU 97 1.833 10.372 2.171 369 HD21 LEU 97 HD21 LEU 97 0.004 11.365 3.476 370 HD22 LEU 97 HD22 LEU 97 -1.667 10.881 3.181 371 HD23 LEU 97 HD23 LEU 97 -0.824 11.897 2.012 372 H TYR 98 HN TYR 98 -3.137 6.760 0.919 373 HA TYR 98 HA TYR 98 -4.286 7.203 -1.714 374 HB2 TYR 98 HB2 TYR 98 -2.692 5.365 -1.399 375 HB3 TYR 98 HB1 TYR 98 -3.740 4.650 -0.179 376 HD1 TYR 98 HD2 TYR 98 -3.765 5.692 -3.765 377 HD2 TYR 98 HD1 TYR 98 -5.251 3.019 -0.805 378 HE1 TYR 98 HE2 TYR 98 -4.922 4.409 -5.513 379 HE2 TYR 98 HE1 TYR 98 -6.409 1.729 -2.549 380 HH TYR 98 HH TYR 98 -5.786 2.139 -5.862 381 H GLN 99 HN GLN 99 -5.243 6.027 1.474 382 HA GLN 99 HA GLN 99 -7.864 5.240 0.661 383 HB2 GLN 99 HB2 GLN 99 -6.658 5.687 3.385 384 HB3 GLN 99 HB1 GLN 99 -8.292 5.086 3.130 385 HG2 GLN 99 HG2 GLN 99 -5.801 3.757 2.089 386 HG3 GLN 99 HG1 GLN 99 -6.649 3.292 3.561 387 HE21 GLN 99 HE21 GLN 99 -6.777 3.375 0.085 388 HE22 GLN 99 HE22 GLN 99 -8.084 2.253 -0.102 389 H GLN 100 HN GLN 100 -6.478 8.234 1.763 390 HA GLN 100 HA GLN 100 -8.934 9.449 2.510 391 HB2 GLN 100 HB2 GLN 100 -6.270 10.616 1.710 392 HB3 GLN 100 HB1 GLN 100 -7.643 11.611 2.178 393 HG2 GLN 100 HG2 GLN 100 -6.323 9.523 3.894 394 HG3 GLN 100 HG1 GLN 100 -6.089 11.267 4.023 395 HE21 GLN 100 HE21 GLN 100 -7.734 12.534 4.860 396 HE22 GLN 100 HE22 GLN 100 -9.053 11.865 5.756 397 H GLN 101 HN GLN 101 -7.393 8.843 -0.512 398 HA GLN 101 HA GLN 101 -8.853 10.793 -2.035 399 HB2 GLN 101 HB2 GLN 101 -7.417 8.305 -2.986 400 HB3 GLN 101 HB1 GLN 101 -7.916 9.663 -3.986 401 HG2 GLN 101 HG2 GLN 101 -6.338 11.106 -2.910 402 HG3 GLN 101 HG1 GLN 101 -5.931 9.855 -1.737 403 HE21 GLN 101 HE21 GLN 101 -4.213 11.286 -3.616 404 HE22 GLN 101 HE22 GLN 101 -3.443 10.055 -4.570 405 H GLN 102 HN GLN 102 -9.326 7.559 -0.950 406 HA GLN 102 HA GLN 102 -11.325 6.818 -2.850 407 HB2 GLN 102 HB2 GLN 102 -10.580 5.614 -0.178 408 HB3 GLN 102 HB1 GLN 102 -11.693 4.889 -1.329 409 HG2 GLN 102 HG2 GLN 102 -8.767 5.416 -1.758 410 HG3 GLN 102 HG1 GLN 102 -9.529 3.848 -1.498 411 HE21 GLN 102 HE21 GLN 102 -10.834 2.975 -3.145 412 HE22 GLN 102 HE22 GLN 102 -10.665 3.496 -4.786 413 HA PRO 103 HA PRO 103 -14.845 8.660 -0.889 414 HB2 PRO 103 HB2 PRO 103 -16.492 6.525 -2.011 415 HB3 PRO 103 HB1 PRO 103 -16.456 8.238 -2.429 416 HG2 PRO 103 HG2 PRO 103 -15.543 6.306 -4.091 417 HG3 PRO 103 HG1 PRO 103 -14.869 7.945 -4.056 418 HD2 PRO 103 HD2 PRO 103 -13.800 5.429 -2.831 419 HD3 PRO 103 HD1 PRO 103 -12.931 6.735 -3.666 420 H MET 104 HN MET 104 -14.979 8.419 1.220 421 HA MET 104 HA MET 104 -15.380 5.790 2.416 422 HB2 MET 104 HB2 MET 104 -13.754 7.361 3.414 423 HB3 MET 104 HB1 MET 104 -15.049 8.514 3.692 424 HG2 MET 104 HG2 MET 104 -14.495 7.355 5.735 425 HG3 MET 104 HG1 MET 104 -16.129 6.948 5.217 426 HE1 MET 104 HE1 MET 104 -14.790 5.255 7.418 427 HE2 MET 104 HE2 MET 104 -15.073 3.604 6.868 428 HE3 MET 104 HE3 MET 104 -16.344 4.817 6.708 429 H ASN 105 HN ASN 105 -17.227 8.188 1.111 430 HA ASN 105 HA ASN 105 -19.460 7.916 2.976 431 HB2 ASN 105 HB2 ASN 105 -19.046 9.635 0.521 432 HB3 ASN 105 HB1 ASN 105 -20.583 9.538 1.370 433 HD21 ASN 105 HD21 ASN 105 -17.497 9.435 3.011 434 HD22 ASN 105 HD22 ASN 105 -17.625 10.987 3.767 435 H GLU 106 HN GLU 106 -21.016 6.457 2.679 436 HA GLU 106 HA GLU 106 -21.092 4.981 0.166 437 HB2 GLU 106 HB2 GLU 106 -21.107 3.761 2.336 438 HB3 GLU 106 HB1 GLU 106 -22.665 4.493 2.704 439 HG2 GLU 106 HG2 GLU 106 -23.693 3.372 0.844 440 HG3 GLU 106 HG1 GLU 106 -22.132 2.755 0.305 Start of MODEL 6 1 H1 GLY 49 HT1 GLY 49 20.868 5.690 3.056 2 H2 GLY 49 HT2 GLY 49 19.447 6.411 3.647 3 H3 GLY 49 HT3 GLY 49 20.959 6.927 4.213 4 HA2 GLY 49 HA1 GLY 49 20.046 8.514 2.641 5 HA3 GLY 49 HA2 GLY 49 21.535 7.791 2.056 6 H LEU 50 HN LEU 50 18.217 6.516 2.112 7 HA LEU 50 HA LEU 50 16.882 5.654 0.497 8 HB2 LEU 50 HB2 LEU 50 18.181 7.915 -0.997 9 HB3 LEU 50 HB1 LEU 50 16.975 6.892 -1.750 10 HG LEU 50 HG LEU 50 15.851 8.843 -1.029 11 HD11 LEU 50 HD11 LEU 50 14.663 6.759 -0.590 12 HD12 LEU 50 HD12 LEU 50 14.238 8.014 0.573 13 HD13 LEU 50 HD13 LEU 50 15.337 6.716 1.039 14 HD21 LEU 50 HD21 LEU 50 17.526 9.703 0.512 15 HD22 LEU 50 HD22 LEU 50 17.102 8.458 1.687 16 HD23 LEU 50 HD23 LEU 50 15.927 9.700 1.254 17 H GLU 51 HN GLU 51 19.284 4.273 0.902 18 HA GLU 51 HA GLU 51 20.189 3.536 -1.781 19 HB2 GLU 51 HB2 GLU 51 21.961 2.273 -0.653 20 HB3 GLU 51 HB1 GLU 51 21.951 3.956 -0.154 21 HG2 GLU 51 HG2 GLU 51 20.653 1.778 1.453 22 HG3 GLU 51 HG1 GLU 51 22.346 2.227 1.642 23 H TYR 52 HN TYR 52 18.006 2.548 0.583 24 HA TYR 52 HA TYR 52 17.805 -0.091 -0.708 25 HB2 TYR 52 HB2 TYR 52 17.279 0.572 2.198 26 HB3 TYR 52 HB1 TYR 52 16.918 -0.974 1.441 27 HD1 TYR 52 HD1 TYR 52 19.060 -1.994 0.131 28 HD2 TYR 52 HD2 TYR 52 19.205 0.680 3.432 29 HE1 TYR 52 HE1 TYR 52 21.323 -2.796 0.673 30 HE2 TYR 52 HE2 TYR 52 21.465 -0.106 3.980 31 HH TYR 52 HH TYR 52 23.405 -1.732 1.950 32 H ALA 53 HN ALA 53 15.473 -0.982 0.176 33 HA ALA 53 HA ALA 53 13.596 0.476 -1.336 34 HB1 ALA 53 HB1 ALA 53 11.975 -1.166 -0.572 35 HB2 ALA 53 HB2 ALA 53 13.094 -1.717 0.674 36 HB3 ALA 53 HB3 ALA 53 13.487 -1.953 -1.030 37 H VAL 54 HN VAL 54 12.867 2.409 -0.742 38 HA VAL 54 HA VAL 54 11.700 2.658 1.952 39 HB VAL 54 HB VAL 54 12.859 4.891 0.263 40 HG11 VAL 54 HG11 VAL 54 10.904 5.595 1.573 41 HG12 VAL 54 HG12 VAL 54 12.392 6.341 2.156 42 HG13 VAL 54 HG13 VAL 54 11.679 4.990 3.039 43 HG21 VAL 54 HG21 VAL 54 14.530 5.088 2.057 44 HG22 VAL 54 HG22 VAL 54 14.605 3.524 1.247 45 HG23 VAL 54 HG23 VAL 54 13.846 3.660 2.833 46 H ALA 55 HN ALA 55 9.567 2.740 1.907 47 HA ALA 55 HA ALA 55 8.055 2.852 -0.466 48 HB1 ALA 55 HB1 ALA 55 6.117 2.870 0.985 49 HB2 ALA 55 HB2 ALA 55 7.120 3.322 2.363 50 HB3 ALA 55 HB3 ALA 55 7.320 1.741 1.608 51 H GLU 56 HN GLU 56 7.745 4.571 -1.711 52 HA GLU 56 HA GLU 56 7.913 7.249 -0.665 53 HB2 GLU 56 HB2 GLU 56 7.058 6.290 -3.405 54 HB3 GLU 56 HB1 GLU 56 7.423 7.952 -2.964 55 HG2 GLU 56 HG2 GLU 56 9.738 7.239 -2.421 56 HG3 GLU 56 HG1 GLU 56 9.343 5.635 -3.040 57 H SER 57 HN SER 57 5.343 5.366 -2.269 58 HA SER 57 HA SER 57 3.368 6.243 -0.386 59 HB2 SER 57 HB2 SER 57 3.182 7.218 -3.248 60 HB3 SER 57 HB1 SER 57 1.868 7.298 -2.076 61 HG SER 57 HG SER 57 4.187 8.374 -1.122 62 H VAL 58 HN VAL 58 1.150 5.426 -1.082 63 HA VAL 58 HA VAL 58 1.449 2.774 -2.330 64 HB VAL 58 HB VAL 58 -0.750 3.832 -0.541 65 HG11 VAL 58 HG11 VAL 58 -1.543 1.547 -0.432 66 HG12 VAL 58 HG12 VAL 58 -0.244 1.024 -1.507 67 HG13 VAL 58 HG13 VAL 58 -1.505 2.100 -2.108 68 HG21 VAL 58 HG21 VAL 58 1.540 1.971 0.074 69 HG22 VAL 58 HG22 VAL 58 0.190 2.313 1.158 70 HG23 VAL 58 HG23 VAL 58 1.305 3.602 0.702 71 H ILE 59 HN ILE 59 0.454 2.399 -4.258 72 HA ILE 59 HA ILE 59 -1.466 4.449 -5.169 73 HB ILE 59 HB ILE 59 -0.614 4.447 -7.371 74 HG12 ILE 59 HG12 ILE 59 -0.087 2.036 -7.575 75 HG13 ILE 59 HG11 ILE 59 1.203 3.063 -8.188 76 HG21 ILE 59 HG21 ILE 59 1.693 4.555 -5.444 77 HG22 ILE 59 HG22 ILE 59 0.589 5.872 -5.850 78 HG23 ILE 59 HG23 ILE 59 1.690 5.234 -7.073 79 HD11 ILE 59 HD11 ILE 59 2.384 2.713 -6.008 80 HD12 ILE 59 HD12 ILE 59 2.207 1.278 -7.014 81 HD13 ILE 59 HD13 ILE 59 1.151 1.510 -5.619 82 H GLY 60 HN GLY 60 -0.951 1.159 -4.625 83 HA2 GLY 60 HA2 GLY 60 -3.243 0.504 -6.373 84 HA3 GLY 60 HA1 GLY 60 -1.878 -0.580 -6.189 85 H LYS 61 HN LYS 61 -4.617 -1.213 -5.668 86 HA LYS 61 HA LYS 61 -4.474 -1.900 -2.828 87 HB2 LYS 61 HB2 LYS 61 -5.694 0.157 -2.838 88 HB3 LYS 61 HB1 LYS 61 -6.704 -0.386 -4.167 89 HG2 LYS 61 HG2 LYS 61 -7.558 -2.183 -2.615 90 HG3 LYS 61 HG1 LYS 61 -6.740 -1.309 -1.313 91 HD2 LYS 61 HD2 LYS 61 -8.055 0.617 -1.650 92 HD3 LYS 61 HD1 LYS 61 -8.669 0.022 -3.193 93 HE2 LYS 61 HE2 LYS 61 -9.551 -1.943 -1.690 94 HE3 LYS 61 HE1 LYS 61 -9.432 -0.724 -0.421 95 HZ1 LYS 61 HZ1 LYS 61 -11.622 -0.638 -1.359 96 HZ2 LYS 61 HZ2 LYS 61 -11.000 -0.534 -2.937 97 HZ3 LYS 61 HZ3 LYS 61 -10.786 0.752 -1.859 98 H ARG 62 HN ARG 62 -4.962 -4.004 -2.562 99 HA ARG 62 HA ARG 62 -7.055 -5.159 -4.291 100 HB2 ARG 62 HB2 ARG 62 -4.542 -6.483 -3.260 101 HB3 ARG 62 HB1 ARG 62 -5.911 -7.383 -3.893 102 HG2 ARG 62 HG2 ARG 62 -4.277 -5.368 -5.413 103 HG3 ARG 62 HG1 ARG 62 -4.162 -7.123 -5.558 104 HD2 ARG 62 HD2 ARG 62 -6.470 -7.216 -6.329 105 HD3 ARG 62 HD1 ARG 62 -6.610 -5.469 -6.161 106 HE ARG 62 HE ARG 62 -5.052 -6.918 -8.183 107 HH11 ARG 62 HH11 ARG 62 -6.200 -3.873 -6.865 108 HH12 ARG 62 HH12 ARG 62 -5.911 -2.988 -8.331 109 HH21 ARG 62 HH21 ARG 62 -4.644 -5.740 -10.100 110 HH22 ARG 62 HH22 ARG 62 -4.954 -4.028 -10.139 111 H VAL 63 HN VAL 63 -8.813 -5.374 -3.054 112 HA VAL 63 HA VAL 63 -8.452 -6.250 -0.272 113 HB VAL 63 HB VAL 63 -9.700 -4.194 -0.377 114 HG11 VAL 63 HG11 VAL 63 -11.617 -5.582 -2.242 115 HG12 VAL 63 HG12 VAL 63 -10.457 -4.331 -2.695 116 HG13 VAL 63 HG13 VAL 63 -11.786 -3.949 -1.599 117 HG21 VAL 63 HG21 VAL 63 -10.437 -5.793 1.298 118 HG22 VAL 63 HG22 VAL 63 -11.566 -6.505 0.146 119 HG23 VAL 63 HG23 VAL 63 -11.800 -4.847 0.700 120 H GLY 64 HN GLY 64 -9.016 -8.271 0.279 121 HA2 GLY 64 HA2 GLY 64 -10.335 -9.895 -1.769 122 HA3 GLY 64 HA1 GLY 64 -9.502 -10.499 -0.343 123 H ASP 65 HN ASP 65 -12.417 -10.266 -1.722 124 HA ASP 65 HA ASP 65 -14.008 -9.664 0.619 125 HB2 ASP 65 HB2 ASP 65 -14.736 -10.724 -2.120 126 HB3 ASP 65 HB1 ASP 65 -15.915 -10.413 -0.852 127 H ASP 66 HN ASP 66 -12.438 -12.345 -0.715 128 HA ASP 66 HA ASP 66 -14.174 -14.323 0.526 129 HB2 ASP 66 HB2 ASP 66 -12.728 -15.964 -0.577 130 HB3 ASP 66 HB1 ASP 66 -13.279 -14.748 -1.725 131 H GLY 67 HN GLY 67 -12.206 -12.326 1.883 132 HA2 GLY 67 HA2 GLY 67 -11.474 -12.641 4.136 133 HA3 GLY 67 HA1 GLY 67 -11.162 -14.329 3.760 134 H LYS 68 HN LYS 68 -10.009 -12.999 1.139 135 HA LYS 68 HA LYS 68 -7.303 -13.274 1.791 136 HB2 LYS 68 HB2 LYS 68 -8.333 -13.401 -0.508 137 HB3 LYS 68 HB1 LYS 68 -8.436 -11.647 -0.493 138 HG2 LYS 68 HG2 LYS 68 -6.050 -11.448 -0.388 139 HG3 LYS 68 HG1 LYS 68 -5.869 -13.192 -0.197 140 HD2 LYS 68 HD2 LYS 68 -7.028 -13.422 -2.438 141 HD3 LYS 68 HD1 LYS 68 -6.831 -11.680 -2.618 142 HE2 LYS 68 HE2 LYS 68 -4.545 -13.570 -2.090 143 HE3 LYS 68 HE1 LYS 68 -5.054 -13.093 -3.707 144 HZ1 LYS 68 HZ1 LYS 68 -4.513 -10.836 -3.233 145 HZ2 LYS 68 HZ2 LYS 68 -3.179 -11.787 -2.809 146 HZ3 LYS 68 HZ3 LYS 68 -4.197 -11.176 -1.601 147 H THR 69 HN THR 69 -5.802 -11.914 2.503 148 HA THR 69 HA THR 69 -6.503 -9.637 3.969 149 HB THR 69 HB THR 69 -3.770 -10.366 2.900 150 HG1 THR 69 HG1 THR 69 -5.411 -11.531 4.787 151 HG21 THR 69 HG21 THR 69 -4.561 -8.835 5.379 152 HG22 THR 69 HG22 THR 69 -3.966 -8.103 3.889 153 HG23 THR 69 HG23 THR 69 -2.918 -9.170 4.827 154 H ILE 70 HN ILE 70 -6.323 -7.455 3.584 155 HA ILE 70 HA ILE 70 -6.478 -6.597 0.851 156 HB ILE 70 HB ILE 70 -6.244 -4.888 3.338 157 HG12 ILE 70 HG12 ILE 70 -8.734 -5.824 1.887 158 HG13 ILE 70 HG11 ILE 70 -8.175 -6.443 3.438 159 HG21 ILE 70 HG21 ILE 70 -7.224 -4.259 0.553 160 HG22 ILE 70 HG22 ILE 70 -5.748 -3.661 1.310 161 HG23 ILE 70 HG23 ILE 70 -7.320 -3.166 1.932 162 HD11 ILE 70 HD11 ILE 70 -9.071 -3.625 2.861 163 HD12 ILE 70 HD12 ILE 70 -8.463 -4.206 4.413 164 HD13 ILE 70 HD13 ILE 70 -9.967 -4.856 3.755 165 H GLU 71 HN GLU 71 -4.690 -6.616 -0.312 166 HA GLU 71 HA GLU 71 -2.150 -5.881 0.946 167 HB2 GLU 71 HB2 GLU 71 -2.795 -7.463 -1.543 168 HB3 GLU 71 HB1 GLU 71 -1.161 -6.976 -1.104 169 HG2 GLU 71 HG2 GLU 71 -1.057 -8.403 0.681 170 HG3 GLU 71 HG1 GLU 71 -2.803 -8.412 0.911 171 H TYR 72 HN TYR 72 -0.810 -4.346 0.059 172 HA TYR 72 HA TYR 72 -2.176 -2.503 -1.790 173 HB2 TYR 72 HB2 TYR 72 -0.642 -1.998 0.723 174 HB3 TYR 72 HB1 TYR 72 -0.658 -0.771 -0.541 175 HD1 TYR 72 HD2 TYR 72 -2.987 -0.095 -1.446 176 HD2 TYR 72 HD1 TYR 72 -2.360 -2.036 2.290 177 HE1 TYR 72 HE2 TYR 72 -5.163 0.742 -0.648 178 HE2 TYR 72 HE1 TYR 72 -4.534 -1.213 3.095 179 HH TYR 72 HH TYR 72 -6.086 0.661 2.599 180 H LEU 73 HN LEU 73 -1.126 -1.728 -3.477 181 HA LEU 73 HA LEU 73 1.521 -2.724 -4.070 182 HB2 LEU 73 HB2 LEU 73 -0.245 -2.569 -5.800 183 HB3 LEU 73 HB1 LEU 73 -0.238 -0.833 -5.627 184 HG LEU 73 HG LEU 73 2.089 -0.749 -6.417 185 HD11 LEU 73 HD11 LEU 73 3.105 -2.741 -7.411 186 HD12 LEU 73 HD12 LEU 73 1.740 -3.711 -6.856 187 HD13 LEU 73 HD13 LEU 73 2.820 -2.956 -5.683 188 HD21 LEU 73 HD21 LEU 73 0.181 -2.207 -8.241 189 HD22 LEU 73 HD22 LEU 73 1.617 -1.320 -8.753 190 HD23 LEU 73 HD23 LEU 73 0.271 -0.461 -8.002 191 H VAL 74 HN VAL 74 3.158 -1.780 -3.123 192 HA VAL 74 HA VAL 74 3.002 1.080 -2.480 193 HB VAL 74 HB VAL 74 4.838 -1.039 -1.353 194 HG11 VAL 74 HG11 VAL 74 4.359 1.805 -0.477 195 HG12 VAL 74 HG12 VAL 74 5.804 1.203 -1.295 196 HG13 VAL 74 HG13 VAL 74 5.405 0.634 0.328 197 HG21 VAL 74 HG21 VAL 74 2.409 0.245 -0.110 198 HG22 VAL 74 HG22 VAL 74 3.479 -0.933 0.656 199 HG23 VAL 74 HG23 VAL 74 2.496 -1.403 -0.733 200 H LYS 75 HN LYS 75 4.302 2.474 -3.499 201 HA LYS 75 HA LYS 75 6.248 1.417 -5.389 202 HB2 LYS 75 HB2 LYS 75 4.531 3.290 -5.885 203 HB3 LYS 75 HB1 LYS 75 5.615 4.330 -4.971 204 HG2 LYS 75 HG2 LYS 75 6.111 4.587 -7.287 205 HG3 LYS 75 HG1 LYS 75 7.443 3.696 -6.543 206 HD2 LYS 75 HD2 LYS 75 6.510 1.596 -7.375 207 HD3 LYS 75 HD1 LYS 75 5.152 2.473 -8.081 208 HE2 LYS 75 HE2 LYS 75 6.763 3.718 -9.503 209 HE3 LYS 75 HE1 LYS 75 8.057 2.708 -8.857 210 HZ1 LYS 75 HZ1 LYS 75 7.211 1.920 -11.011 211 HZ2 LYS 75 HZ2 LYS 75 5.680 1.685 -10.320 212 HZ3 LYS 75 HZ3 LYS 75 7.000 0.767 -9.788 213 H TRP 76 HN TRP 76 8.159 0.955 -4.508 214 HA TRP 76 HA TRP 76 9.251 2.628 -2.373 215 HB2 TRP 76 HB2 TRP 76 10.368 0.087 -3.585 216 HB3 TRP 76 HB1 TRP 76 10.923 0.874 -2.116 217 HD1 TRP 76 HD1 TRP 76 7.837 -1.044 -3.447 218 HE1 TRP 76 HE1 TRP 76 6.665 -2.156 -1.446 219 HE3 TRP 76 HE3 TRP 76 10.697 0.857 0.331 220 HZ2 TRP 76 HZ2 TRP 76 6.924 -2.210 1.367 221 HZ3 TRP 76 HZ3 TRP 76 10.178 0.216 2.650 222 HH2 TRP 76 HH2 TRP 76 8.325 -1.292 3.155 223 H THR 77 HN THR 77 11.140 3.788 -2.588 224 HA THR 77 HA THR 77 11.674 4.901 -5.111 225 HB THR 77 HB THR 77 12.065 6.176 -3.089 226 HG1 THR 77 HG1 THR 77 13.390 7.103 -4.466 227 HG21 THR 77 HG21 THR 77 13.944 5.703 -1.597 228 HG22 THR 77 HG22 THR 77 14.315 4.246 -2.520 229 HG23 THR 77 HG23 THR 77 12.798 4.359 -1.625 230 H ASP 78 HN ASP 78 13.345 2.348 -3.328 231 HA ASP 78 HA ASP 78 15.272 2.047 -5.503 232 HB2 ASP 78 HB2 ASP 78 16.366 1.788 -3.460 233 HB3 ASP 78 HB1 ASP 78 15.023 0.909 -2.740 234 H MET 79 HN MET 79 12.620 0.392 -3.967 235 HA MET 79 HA MET 79 12.830 -1.874 -5.759 236 HB2 MET 79 HB2 MET 79 12.336 -2.068 -3.259 237 HB3 MET 79 HB1 MET 79 10.731 -1.463 -3.637 238 HG2 MET 79 HG2 MET 79 10.347 -3.354 -5.117 239 HG3 MET 79 HG1 MET 79 11.971 -3.952 -4.785 240 HE1 MET 79 HE1 MET 79 9.477 -5.818 -4.477 241 HE2 MET 79 HE2 MET 79 9.816 -6.592 -2.930 242 HE3 MET 79 HE3 MET 79 11.122 -6.313 -4.082 243 H SER 80 HN SER 80 12.291 0.509 -7.050 244 HA SER 80 HA SER 80 9.684 1.243 -7.537 245 HB2 SER 80 HB2 SER 80 11.933 1.079 -9.552 246 HB3 SER 80 HB1 SER 80 10.475 2.059 -9.708 247 HG SER 80 HG SER 80 11.137 3.164 -7.779 248 H ASP 81 HN ASP 81 11.208 -1.708 -8.399 249 HA ASP 81 HA ASP 81 9.240 -2.705 -10.200 250 HB2 ASP 81 HB2 ASP 81 11.027 -4.215 -8.272 251 HB3 ASP 81 HB1 ASP 81 10.128 -4.926 -9.607 252 H ALA 82 HN ALA 82 7.752 -1.388 -8.492 253 HA ALA 82 HA ALA 82 7.362 -1.992 -5.899 254 HB1 ALA 82 HB1 ALA 82 5.179 -0.951 -6.077 255 HB2 ALA 82 HB2 ALA 82 5.196 -1.182 -7.828 256 HB3 ALA 82 HB3 ALA 82 6.363 -0.100 -7.068 257 H THR 83 HN THR 83 6.011 -3.159 -4.643 258 HA THR 83 HA THR 83 4.897 -5.591 -5.860 259 HB THR 83 HB THR 83 7.095 -6.076 -4.871 260 HG1 THR 83 HG1 THR 83 5.603 -7.307 -2.942 261 HG21 THR 83 HG21 THR 83 7.170 -4.305 -3.201 262 HG22 THR 83 HG22 THR 83 7.445 -5.881 -2.454 263 HG23 THR 83 HG23 THR 83 5.875 -5.087 -2.292 264 H TRP 84 HN TRP 84 3.277 -6.657 -4.569 265 HA TRP 84 HA TRP 84 1.619 -4.756 -3.131 266 HB2 TRP 84 HB2 TRP 84 1.101 -7.623 -3.969 267 HB3 TRP 84 HB1 TRP 84 -0.081 -6.565 -3.204 268 HD1 TRP 84 HD1 TRP 84 1.860 -6.958 -6.513 269 HE1 TRP 84 HE1 TRP 84 0.583 -5.678 -8.351 270 HE3 TRP 84 HE3 TRP 84 -1.750 -4.767 -3.629 271 HZ2 TRP 84 HZ2 TRP 84 -1.664 -3.998 -8.552 272 HZ3 TRP 84 HZ3 TRP 84 -3.427 -3.347 -4.728 273 HH2 TRP 84 HH2 TRP 84 -3.385 -2.969 -7.135 274 H GLU 85 HN GLU 85 2.178 -4.474 -1.109 275 HA GLU 85 HA GLU 85 3.136 -6.745 0.486 276 HB2 GLU 85 HB2 GLU 85 3.320 -3.761 0.952 277 HB3 GLU 85 HB1 GLU 85 3.902 -4.979 2.079 278 HG2 GLU 85 HG2 GLU 85 4.868 -4.664 -0.741 279 HG3 GLU 85 HG1 GLU 85 5.676 -3.986 0.671 280 HA PRO 86 HA PRO 86 -0.517 -6.719 3.032 281 HB2 PRO 86 HB2 PRO 86 0.525 -7.626 5.350 282 HB3 PRO 86 HB1 PRO 86 0.334 -8.667 3.934 283 HG2 PRO 86 HG2 PRO 86 2.790 -7.260 4.924 284 HG3 PRO 86 HG1 PRO 86 2.612 -8.926 4.337 285 HD2 PRO 86 HD2 PRO 86 3.578 -6.916 2.777 286 HD3 PRO 86 HD1 PRO 86 2.652 -8.286 2.126 287 H GLN 87 HN GLN 87 -1.527 -5.461 4.532 288 HA GLN 87 HA GLN 87 -0.896 -2.831 4.696 289 HB2 GLN 87 HB2 GLN 87 -2.595 -4.443 6.589 290 HB3 GLN 87 HB1 GLN 87 -2.560 -2.685 6.552 291 HG2 GLN 87 HG2 GLN 87 -3.343 -2.728 4.237 292 HG3 GLN 87 HG1 GLN 87 -3.401 -4.490 4.300 293 HE21 GLN 87 HE21 GLN 87 -5.542 -2.545 3.850 294 HE22 GLN 87 HE22 GLN 87 -6.727 -2.857 5.069 295 H ASP 88 HN ASP 88 0.136 -5.288 7.002 296 HA ASP 88 HA ASP 88 0.922 -3.458 9.026 297 HB2 ASP 88 HB2 ASP 88 0.573 -5.887 9.429 298 HB3 ASP 88 HB1 ASP 88 2.037 -6.219 8.505 299 H ASN 89 HN ASN 89 2.651 -4.977 6.351 300 HA ASN 89 HA ASN 89 5.163 -3.741 7.010 301 HB2 ASN 89 HB2 ASN 89 5.049 -5.912 5.827 302 HB3 ASN 89 HB1 ASN 89 4.283 -5.114 4.455 303 HD21 ASN 89 HD21 ASN 89 5.516 -3.819 3.105 304 HD22 ASN 89 HD22 ASN 89 7.241 -3.837 3.131 305 H VAL 90 HN VAL 90 2.389 -2.999 5.091 306 HA VAL 90 HA VAL 90 3.581 -0.915 3.536 307 HB VAL 90 HB VAL 90 0.645 -1.357 4.165 308 HG11 VAL 90 HG11 VAL 90 0.271 -0.086 2.109 309 HG12 VAL 90 HG12 VAL 90 2.008 0.177 1.958 310 HG13 VAL 90 HG13 VAL 90 1.126 0.870 3.320 311 HG21 VAL 90 HG21 VAL 90 2.296 -2.334 1.840 312 HG22 VAL 90 HG22 VAL 90 0.547 -2.499 2.005 313 HG23 VAL 90 HG23 VAL 90 1.623 -3.329 3.131 314 H ASP 91 HN ASP 91 3.848 1.181 4.044 315 HA ASP 91 HA ASP 91 3.585 2.075 6.702 316 HB2 ASP 91 HB2 ASP 91 5.236 3.031 5.156 317 HB3 ASP 91 HB1 ASP 91 3.931 3.706 4.181 318 H SER 92 HN SER 92 1.780 2.513 7.719 319 HA SER 92 HA SER 92 -0.697 2.693 6.337 320 HB2 SER 92 HB2 SER 92 -0.373 1.606 8.582 321 HB3 SER 92 HB1 SER 92 -0.204 3.218 9.274 322 HG SER 92 HG SER 92 -2.289 3.455 9.192 323 H THR 93 HN THR 93 1.584 4.992 7.473 324 HA THR 93 HA THR 93 -0.081 7.246 7.769 325 HB THR 93 HB THR 93 2.762 7.313 6.742 326 HG1 THR 93 HG1 THR 93 3.321 6.438 8.576 327 HG21 THR 93 HG21 THR 93 1.566 9.462 6.792 328 HG22 THR 93 HG22 THR 93 2.873 9.424 7.972 329 HG23 THR 93 HG23 THR 93 1.205 9.219 8.500 330 H LEU 94 HN LEU 94 1.690 5.919 5.006 331 HA LEU 94 HA LEU 94 0.665 7.775 3.096 332 HB2 LEU 94 HB2 LEU 94 1.837 5.019 2.676 333 HB3 LEU 94 HB1 LEU 94 1.620 6.242 1.436 334 HG LEU 94 HG LEU 94 3.374 6.694 3.840 335 HD11 LEU 94 HD11 LEU 94 5.264 6.087 2.413 336 HD12 LEU 94 HD12 LEU 94 4.142 5.578 1.150 337 HD13 LEU 94 HD13 LEU 94 4.186 4.720 2.692 338 HD21 LEU 94 HD21 LEU 94 4.377 8.394 2.409 339 HD22 LEU 94 HD22 LEU 94 2.647 8.675 2.605 340 HD23 LEU 94 HD23 LEU 94 3.262 7.971 1.110 341 H VAL 95 HN VAL 95 -0.267 4.559 4.221 342 HA VAL 95 HA VAL 95 -2.237 3.985 2.321 343 HB VAL 95 HB VAL 95 -2.028 3.160 5.216 344 HG11 VAL 95 HG11 VAL 95 -3.943 2.158 3.111 345 HG12 VAL 95 HG12 VAL 95 -4.376 3.000 4.601 346 HG13 VAL 95 HG13 VAL 95 -3.654 1.389 4.670 347 HG21 VAL 95 HG21 VAL 95 -1.487 1.801 2.605 348 HG22 VAL 95 HG22 VAL 95 -1.378 1.029 4.189 349 HG23 VAL 95 HG23 VAL 95 -0.288 2.358 3.774 350 H LEU 96 HN LEU 96 -2.419 5.860 5.300 351 HA LEU 96 HA LEU 96 -5.161 6.332 5.356 352 HB2 LEU 96 HB2 LEU 96 -3.604 6.976 7.144 353 HB3 LEU 96 HB1 LEU 96 -2.928 8.218 6.109 354 HG LEU 96 HG LEU 96 -5.132 9.360 6.089 355 HD11 LEU 96 HD11 LEU 96 -5.873 7.273 8.131 356 HD12 LEU 96 HD12 LEU 96 -6.553 7.432 6.510 357 HD13 LEU 96 HD13 LEU 96 -6.831 8.694 7.712 358 HD21 LEU 96 HD21 LEU 96 -3.410 10.049 7.660 359 HD22 LEU 96 HD22 LEU 96 -3.968 8.847 8.819 360 HD23 LEU 96 HD23 LEU 96 -5.009 10.199 8.386 361 H LEU 97 HN LEU 97 -2.659 7.680 3.341 362 HA LEU 97 HA LEU 97 -4.258 9.856 2.343 363 HB2 LEU 97 HB2 LEU 97 -1.791 8.708 1.052 364 HB3 LEU 97 HB1 LEU 97 -2.412 10.343 0.927 365 HG LEU 97 HG LEU 97 -1.172 9.110 3.388 366 HD11 LEU 97 HD11 LEU 97 0.634 10.717 2.986 367 HD12 LEU 97 HD12 LEU 97 -0.154 11.218 1.488 368 HD13 LEU 97 HD13 LEU 97 0.461 9.574 1.652 369 HD21 LEU 97 HD21 LEU 97 -2.159 11.916 2.906 370 HD22 LEU 97 HD22 LEU 97 -1.335 11.334 4.353 371 HD23 LEU 97 HD23 LEU 97 -2.931 10.713 3.936 372 H TYR 98 HN TYR 98 -3.828 6.522 1.619 373 HA TYR 98 HA TYR 98 -4.975 6.759 -1.044 374 HB2 TYR 98 HB2 TYR 98 -3.199 5.039 -0.438 375 HB3 TYR 98 HB1 TYR 98 -4.445 4.203 0.483 376 HD1 TYR 98 HD2 TYR 98 -6.292 3.081 -0.666 377 HD2 TYR 98 HD1 TYR 98 -3.222 5.051 -2.853 378 HE1 TYR 98 HE2 TYR 98 -7.022 1.935 -2.715 379 HE2 TYR 98 HE1 TYR 98 -3.945 3.911 -4.906 380 HH TYR 98 HH TYR 98 -5.158 1.936 -5.587 381 H GLN 99 HN GLN 99 -5.811 5.320 2.102 382 HA GLN 99 HA GLN 99 -8.438 4.594 1.569 383 HB2 GLN 99 HB2 GLN 99 -7.199 5.660 4.105 384 HB3 GLN 99 HB1 GLN 99 -8.841 5.041 4.033 385 HG2 GLN 99 HG2 GLN 99 -7.994 2.864 3.343 386 HG3 GLN 99 HG1 GLN 99 -6.343 3.486 3.407 387 HE21 GLN 99 HE21 GLN 99 -9.139 2.573 5.268 388 HE22 GLN 99 HE22 GLN 99 -8.339 2.495 6.804 389 H GLN 100 HN GLN 100 -7.178 7.806 2.429 390 HA GLN 100 HA GLN 100 -9.717 8.966 2.902 391 HB2 GLN 100 HB2 GLN 100 -8.606 11.065 3.033 392 HB3 GLN 100 HB1 GLN 100 -7.533 9.864 3.735 393 HG2 GLN 100 HG2 GLN 100 -6.258 9.807 1.635 394 HG3 GLN 100 HG1 GLN 100 -7.305 11.070 0.989 395 HE21 GLN 100 HE21 GLN 100 -6.246 10.914 4.317 396 HE22 GLN 100 HE22 GLN 100 -5.250 12.329 4.272 397 H GLN 101 HN GLN 101 -8.161 8.140 -0.015 398 HA GLN 101 HA GLN 101 -10.033 9.854 -1.505 399 HB2 GLN 101 HB2 GLN 101 -8.580 9.349 -3.502 400 HB3 GLN 101 HB1 GLN 101 -7.827 10.330 -2.254 401 HG2 GLN 101 HG2 GLN 101 -6.551 8.476 -1.471 402 HG3 GLN 101 HG1 GLN 101 -7.431 7.364 -2.519 403 HE21 GLN 101 HE21 GLN 101 -4.560 8.057 -2.308 404 HE22 GLN 101 HE22 GLN 101 -4.086 8.502 -3.909 405 H GLN 102 HN GLN 102 -10.151 7.056 -0.171 406 HA GLN 102 HA GLN 102 -11.299 5.627 -2.471 407 HB2 GLN 102 HB2 GLN 102 -10.159 4.692 0.150 408 HB3 GLN 102 HB1 GLN 102 -11.269 3.675 -0.760 409 HG2 GLN 102 HG2 GLN 102 -8.675 4.774 -1.820 410 HG3 GLN 102 HG1 GLN 102 -8.904 3.149 -1.170 411 HE21 GLN 102 HE21 GLN 102 -9.602 5.309 -3.798 412 HE22 GLN 102 HE22 GLN 102 -10.175 4.107 -4.901 413 HA PRO 103 HA PRO 103 -15.250 6.160 -0.425 414 HB2 PRO 103 HB2 PRO 103 -16.746 4.701 -2.135 415 HB3 PRO 103 HB1 PRO 103 -16.148 6.308 -2.558 416 HG2 PRO 103 HG2 PRO 103 -15.142 3.633 -3.396 417 HG3 PRO 103 HG1 PRO 103 -15.225 5.142 -4.319 418 HD2 PRO 103 HD2 PRO 103 -12.942 4.140 -3.098 419 HD3 PRO 103 HD1 PRO 103 -13.183 5.828 -3.580 420 H MET 104 HN MET 104 -14.710 5.035 1.437 421 HA MET 104 HA MET 104 -15.083 2.115 1.356 422 HB2 MET 104 HB2 MET 104 -12.729 2.701 1.465 423 HB3 MET 104 HB1 MET 104 -13.024 3.741 2.846 424 HG2 MET 104 HG2 MET 104 -13.638 1.804 4.189 425 HG3 MET 104 HG1 MET 104 -13.373 0.751 2.799 426 HE1 MET 104 HE1 MET 104 -12.001 0.345 5.675 427 HE2 MET 104 HE2 MET 104 -10.359 -0.083 5.196 428 HE3 MET 104 HE3 MET 104 -11.737 -0.743 4.314 429 H ASN 105 HN ASN 105 -16.825 1.593 2.514 430 HA ASN 105 HA ASN 105 -17.590 3.222 4.812 431 HB2 ASN 105 HB2 ASN 105 -19.411 2.573 3.372 432 HB3 ASN 105 HB1 ASN 105 -18.943 0.878 3.461 433 HD21 ASN 105 HD21 ASN 105 -20.938 0.251 4.224 434 HD22 ASN 105 HD22 ASN 105 -21.463 0.582 5.845 435 H GLU 106 HN GLU 106 -16.350 2.818 6.526 436 HA GLU 106 HA GLU 106 -15.296 0.209 7.086 437 HB2 GLU 106 HB2 GLU 106 -14.217 2.476 7.628 438 HB3 GLU 106 HB1 GLU 106 -15.332 2.548 8.985 439 HG2 GLU 106 HG2 GLU 106 -13.327 1.710 9.853 440 HG3 GLU 106 HG1 GLU 106 -14.396 0.316 9.702 Start of MODEL 7 1 H1 GLY 49 HT1 GLY 49 21.105 -5.019 3.956 2 H2 GLY 49 HT2 GLY 49 22.125 -5.635 2.748 3 H3 GLY 49 HT3 GLY 49 21.839 -6.535 4.153 4 HA2 GLY 49 HA1 GLY 49 20.576 -7.415 2.285 5 HA3 GLY 49 HA2 GLY 49 19.524 -6.814 3.563 6 H LEU 50 HN LEU 50 17.792 -5.925 2.642 7 HA LEU 50 HA LEU 50 17.968 -4.501 0.131 8 HB2 LEU 50 HB2 LEU 50 15.670 -4.824 2.067 9 HB3 LEU 50 HB1 LEU 50 15.552 -4.097 0.477 10 HG LEU 50 HG LEU 50 16.261 -6.977 1.044 11 HD11 LEU 50 HD11 LEU 50 14.087 -7.455 0.014 12 HD12 LEU 50 HD12 LEU 50 13.756 -5.725 -0.069 13 HD13 LEU 50 HD13 LEU 50 13.928 -6.516 1.498 14 HD21 LEU 50 HD21 LEU 50 17.376 -6.201 -0.956 15 HD22 LEU 50 HD22 LEU 50 15.871 -5.508 -1.560 16 HD23 LEU 50 HD23 LEU 50 16.032 -7.256 -1.393 17 H GLU 51 HN GLU 51 19.625 -3.061 1.128 18 HA GLU 51 HA GLU 51 18.945 -1.237 3.185 19 HB2 GLU 51 HB2 GLU 51 21.074 -0.885 1.074 20 HB3 GLU 51 HB1 GLU 51 21.024 -0.141 2.665 21 HG2 GLU 51 HG2 GLU 51 21.408 -3.067 2.075 22 HG3 GLU 51 HG1 GLU 51 22.646 -1.930 2.601 23 H TYR 52 HN TYR 52 18.451 -1.237 -0.242 24 HA TYR 52 HA TYR 52 17.659 1.590 -0.130 25 HB2 TYR 52 HB2 TYR 52 18.629 -0.003 -2.512 26 HB3 TYR 52 HB1 TYR 52 18.111 1.680 -2.556 27 HD1 TYR 52 HD2 TYR 52 19.424 3.386 -1.262 28 HD2 TYR 52 HD1 TYR 52 20.827 -0.581 -1.881 29 HE1 TYR 52 HE2 TYR 52 21.701 4.106 -0.681 30 HE2 TYR 52 HE1 TYR 52 23.108 0.127 -1.302 31 HH TYR 52 HH TYR 52 24.450 2.158 -1.238 32 H ALA 53 HN ALA 53 15.548 1.406 0.369 33 HA ALA 53 HA ALA 53 13.763 0.999 -1.764 34 HB1 ALA 53 HB1 ALA 53 12.438 -0.853 -0.929 35 HB2 ALA 53 HB2 ALA 53 13.560 -1.080 0.413 36 HB3 ALA 53 HB3 ALA 53 14.093 -1.383 -1.240 37 H VAL 54 HN VAL 54 13.086 3.025 -1.193 38 HA VAL 54 HA VAL 54 11.803 3.308 1.434 39 HB VAL 54 HB VAL 54 12.504 5.418 -0.615 40 HG11 VAL 54 HG11 VAL 54 10.486 6.014 0.616 41 HG12 VAL 54 HG12 VAL 54 11.840 7.036 1.103 42 HG13 VAL 54 HG13 VAL 54 11.315 5.711 2.143 43 HG21 VAL 54 HG21 VAL 54 14.455 4.500 0.508 44 HG22 VAL 54 HG22 VAL 54 13.700 4.771 2.078 45 HG23 VAL 54 HG23 VAL 54 14.146 6.144 1.065 46 H ALA 55 HN ALA 55 9.731 2.824 1.494 47 HA ALA 55 HA ALA 55 7.988 2.762 -0.722 48 HB1 ALA 55 HB1 ALA 55 7.599 1.462 1.318 49 HB2 ALA 55 HB2 ALA 55 6.215 2.489 0.940 50 HB3 ALA 55 HB3 ALA 55 7.334 2.954 2.220 51 H GLU 56 HN GLU 56 7.390 4.493 -1.847 52 HA GLU 56 HA GLU 56 7.513 7.128 -0.722 53 HB2 GLU 56 HB2 GLU 56 6.635 6.089 -3.418 54 HB3 GLU 56 HB1 GLU 56 6.658 7.798 -3.001 55 HG2 GLU 56 HG2 GLU 56 9.068 6.001 -2.884 56 HG3 GLU 56 HG1 GLU 56 8.646 7.009 -4.270 57 H SER 57 HN SER 57 4.885 5.222 -2.183 58 HA SER 57 HA SER 57 2.999 5.927 -0.179 59 HB2 SER 57 HB2 SER 57 2.854 7.375 -2.825 60 HB3 SER 57 HB1 SER 57 1.446 7.165 -1.792 61 HG SER 57 HG SER 57 3.726 8.178 -0.572 62 H VAL 58 HN VAL 58 0.776 5.162 -0.824 63 HA VAL 58 HA VAL 58 1.021 2.689 -2.366 64 HB VAL 58 HB VAL 58 -1.024 3.682 -0.381 65 HG11 VAL 58 HG11 VAL 58 -1.190 1.164 -2.027 66 HG12 VAL 58 HG12 VAL 58 -2.232 2.576 -2.201 67 HG13 VAL 58 HG13 VAL 58 -2.275 1.626 -0.714 68 HG21 VAL 58 HG21 VAL 58 0.993 2.712 0.551 69 HG22 VAL 58 HG22 VAL 58 0.779 1.272 -0.442 70 HG23 VAL 58 HG23 VAL 58 -0.385 1.646 0.829 71 H ILE 59 HN ILE 59 -0.077 2.322 -4.246 72 HA ILE 59 HA ILE 59 -1.910 4.444 -5.161 73 HB ILE 59 HB ILE 59 -1.022 4.503 -7.334 74 HG12 ILE 59 HG12 ILE 59 -0.677 2.106 -7.707 75 HG13 ILE 59 HG11 ILE 59 0.746 3.023 -8.183 76 HG21 ILE 59 HG21 ILE 59 1.296 4.357 -5.421 77 HG22 ILE 59 HG22 ILE 59 0.315 5.776 -5.792 78 HG23 ILE 59 HG23 ILE 59 1.354 5.073 -7.032 79 HD11 ILE 59 HD11 ILE 59 0.386 1.366 -5.700 80 HD12 ILE 59 HD12 ILE 59 1.784 2.399 -6.016 81 HD13 ILE 59 HD13 ILE 59 1.441 1.034 -7.077 82 H GLY 60 HN GLY 60 -1.888 1.400 -4.213 83 HA2 GLY 60 HA2 GLY 60 -4.086 0.687 -5.990 84 HA3 GLY 60 HA1 GLY 60 -2.712 -0.408 -5.965 85 H LYS 61 HN LYS 61 -5.460 -0.940 -5.176 86 HA LYS 61 HA LYS 61 -4.987 -1.823 -2.421 87 HB2 LYS 61 HB2 LYS 61 -6.132 0.279 -2.118 88 HB3 LYS 61 HB1 LYS 61 -7.348 -0.164 -3.308 89 HG2 LYS 61 HG2 LYS 61 -7.997 -2.057 -1.803 90 HG3 LYS 61 HG1 LYS 61 -6.925 -1.359 -0.586 91 HD2 LYS 61 HD2 LYS 61 -8.210 0.698 -0.597 92 HD3 LYS 61 HD1 LYS 61 -9.249 0.064 -1.877 93 HE2 LYS 61 HE2 LYS 61 -9.911 -1.775 -0.344 94 HE3 LYS 61 HE1 LYS 61 -8.973 -0.997 0.930 95 HZ1 LYS 61 HZ1 LYS 61 -11.302 -0.418 1.101 96 HZ2 LYS 61 HZ2 LYS 61 -11.303 0.184 -0.484 97 HZ3 LYS 61 HZ3 LYS 61 -10.388 0.959 0.717 98 H ARG 62 HN ARG 62 -5.512 -3.915 -2.275 99 HA ARG 62 HA ARG 62 -7.927 -4.802 -3.672 100 HB2 ARG 62 HB2 ARG 62 -5.237 -6.138 -3.753 101 HB3 ARG 62 HB1 ARG 62 -6.717 -7.060 -3.970 102 HG2 ARG 62 HG2 ARG 62 -5.719 -4.800 -5.692 103 HG3 ARG 62 HG1 ARG 62 -5.830 -6.508 -6.121 104 HD2 ARG 62 HD2 ARG 62 -8.095 -4.594 -5.602 105 HD3 ARG 62 HD1 ARG 62 -7.679 -5.372 -7.127 106 HE ARG 62 HE ARG 62 -8.185 -7.517 -5.737 107 HH11 ARG 62 HH11 ARG 62 -9.917 -4.462 -5.639 108 HH12 ARG 62 HH12 ARG 62 -11.403 -5.193 -5.114 109 HH21 ARG 62 HH21 ARG 62 -10.128 -8.465 -5.059 110 HH22 ARG 62 HH22 ARG 62 -11.531 -7.470 -4.781 111 H VAL 63 HN VAL 63 -9.299 -5.244 -2.127 112 HA VAL 63 HA VAL 63 -8.456 -6.664 0.284 113 HB VAL 63 HB VAL 63 -11.220 -5.752 -0.559 114 HG11 VAL 63 HG11 VAL 63 -11.259 -7.642 1.000 115 HG12 VAL 63 HG12 VAL 63 -11.864 -6.169 1.756 116 HG13 VAL 63 HG13 VAL 63 -10.235 -6.742 2.118 117 HG21 VAL 63 HG21 VAL 63 -10.936 -3.956 1.075 118 HG22 VAL 63 HG22 VAL 63 -9.722 -3.863 -0.201 119 HG23 VAL 63 HG23 VAL 63 -9.285 -4.497 1.385 120 H GLY 64 HN GLY 64 -8.632 -8.832 0.477 121 HA2 GLY 64 HA2 GLY 64 -9.325 -10.346 -1.849 122 HA3 GLY 64 HA1 GLY 64 -8.817 -10.993 -0.297 123 H ASP 65 HN ASP 65 -11.214 -11.094 -2.425 124 HA ASP 65 HA ASP 65 -13.513 -10.943 -0.697 125 HB2 ASP 65 HB2 ASP 65 -13.260 -12.224 -3.432 126 HB3 ASP 65 HB1 ASP 65 -14.761 -11.821 -2.608 127 H ASP 66 HN ASP 66 -11.154 -13.257 -1.583 128 HA ASP 66 HA ASP 66 -12.678 -15.588 -0.783 129 HB2 ASP 66 HB2 ASP 66 -9.743 -15.271 -1.462 130 HB3 ASP 66 HB1 ASP 66 -10.553 -16.805 -1.181 131 H GLY 67 HN GLY 67 -11.311 -13.159 0.916 132 HA2 GLY 67 HA2 GLY 67 -11.008 -13.236 3.301 133 HA3 GLY 67 HA1 GLY 67 -10.508 -14.917 3.140 134 H LYS 68 HN LYS 68 -9.183 -13.382 0.630 135 HA LYS 68 HA LYS 68 -6.528 -13.462 1.444 136 HB2 LYS 68 HB2 LYS 68 -7.122 -13.472 -0.887 137 HB3 LYS 68 HB1 LYS 68 -7.911 -11.910 -0.747 138 HG2 LYS 68 HG2 LYS 68 -5.728 -10.859 -0.345 139 HG3 LYS 68 HG1 LYS 68 -4.951 -12.435 -0.531 140 HD2 LYS 68 HD2 LYS 68 -5.718 -12.601 -2.808 141 HD3 LYS 68 HD1 LYS 68 -6.672 -11.127 -2.635 142 HE2 LYS 68 HE2 LYS 68 -4.620 -10.682 -3.858 143 HE3 LYS 68 HE1 LYS 68 -4.615 -9.843 -2.309 144 HZ1 LYS 68 HZ1 LYS 68 -3.321 -12.482 -2.614 145 HZ2 LYS 68 HZ2 LYS 68 -3.041 -11.286 -1.438 146 HZ3 LYS 68 HZ3 LYS 68 -2.510 -11.054 -3.030 147 H THR 69 HN THR 69 -5.161 -12.013 2.317 148 HA THR 69 HA THR 69 -6.115 -10.046 4.051 149 HB THR 69 HB THR 69 -3.319 -10.294 2.929 150 HG1 THR 69 HG1 THR 69 -3.104 -11.570 4.987 151 HG21 THR 69 HG21 THR 69 -3.676 -8.234 4.195 152 HG22 THR 69 HG22 THR 69 -2.641 -9.341 5.099 153 HG23 THR 69 HG23 THR 69 -4.339 -9.162 5.541 154 H ILE 70 HN ILE 70 -6.133 -7.804 3.965 155 HA ILE 70 HA ILE 70 -6.575 -6.654 1.389 156 HB ILE 70 HB ILE 70 -6.215 -5.266 4.056 157 HG12 ILE 70 HG12 ILE 70 -8.735 -6.145 2.627 158 HG13 ILE 70 HG11 ILE 70 -8.065 -6.893 4.071 159 HG21 ILE 70 HG21 ILE 70 -5.901 -3.751 2.179 160 HG22 ILE 70 HG22 ILE 70 -7.425 -3.406 2.998 161 HG23 ILE 70 HG23 ILE 70 -7.425 -4.288 1.471 162 HD11 ILE 70 HD11 ILE 70 -9.086 -4.071 3.876 163 HD12 ILE 70 HD12 ILE 70 -8.457 -4.851 5.329 164 HD13 ILE 70 HD13 ILE 70 -9.947 -5.436 4.586 165 H GLU 71 HN GLU 71 -4.921 -6.444 0.067 166 HA GLU 71 HA GLU 71 -2.320 -5.640 1.156 167 HB2 GLU 71 HB2 GLU 71 -3.105 -7.214 -1.286 168 HB3 GLU 71 HB1 GLU 71 -1.488 -6.548 -1.085 169 HG2 GLU 71 HG2 GLU 71 -1.021 -7.909 0.744 170 HG3 GLU 71 HG1 GLU 71 -2.721 -8.273 1.023 171 H TYR 72 HN TYR 72 -1.233 -3.959 0.368 172 HA TYR 72 HA TYR 72 -2.654 -2.217 -1.523 173 HB2 TYR 72 HB2 TYR 72 -0.986 -1.614 0.894 174 HB3 TYR 72 HB1 TYR 72 -1.132 -0.428 -0.396 175 HD1 TYR 72 HD1 TYR 72 -3.552 0.161 -1.125 176 HD2 TYR 72 HD2 TYR 72 -2.544 -1.628 2.597 177 HE1 TYR 72 HE1 TYR 72 -5.670 0.985 -0.158 178 HE2 TYR 72 HE2 TYR 72 -4.653 -0.819 3.577 179 HH TYR 72 HH TYR 72 -6.319 0.906 3.207 180 H LEU 73 HN LEU 73 -1.627 -1.569 -3.302 181 HA LEU 73 HA LEU 73 0.962 -2.651 -3.919 182 HB2 LEU 73 HB2 LEU 73 -1.128 -2.021 -5.454 183 HB3 LEU 73 HB1 LEU 73 -0.277 -0.498 -5.560 184 HG LEU 73 HG LEU 73 0.708 -3.205 -6.453 185 HD11 LEU 73 HD11 LEU 73 -0.812 -2.133 -7.997 186 HD12 LEU 73 HD12 LEU 73 0.826 -2.128 -8.647 187 HD13 LEU 73 HD13 LEU 73 0.151 -0.655 -7.952 188 HD21 LEU 73 HD21 LEU 73 2.585 -2.082 -5.454 189 HD22 LEU 73 HD22 LEU 73 2.222 -0.606 -6.351 190 HD23 LEU 73 HD23 LEU 73 2.746 -2.054 -7.210 191 H VAL 74 HN VAL 74 2.626 -1.791 -2.855 192 HA VAL 74 HA VAL 74 2.610 1.052 -2.194 193 HB VAL 74 HB VAL 74 4.648 -1.031 -1.394 194 HG11 VAL 74 HG11 VAL 74 5.441 1.265 -1.233 195 HG12 VAL 74 HG12 VAL 74 5.213 0.571 0.372 196 HG13 VAL 74 HG13 VAL 74 4.025 1.702 -0.278 197 HG21 VAL 74 HG21 VAL 74 2.221 -0.077 0.127 198 HG22 VAL 74 HG22 VAL 74 3.481 -1.140 0.758 199 HG23 VAL 74 HG23 VAL 74 2.450 -1.681 -0.567 200 H LYS 75 HN LYS 75 3.647 2.469 -3.401 201 HA LYS 75 HA LYS 75 5.423 1.547 -5.508 202 HB2 LYS 75 HB2 LYS 75 3.668 3.262 -5.947 203 HB3 LYS 75 HB1 LYS 75 4.489 4.349 -4.836 204 HG2 LYS 75 HG2 LYS 75 5.124 5.021 -6.994 205 HG3 LYS 75 HG1 LYS 75 6.510 4.152 -6.333 206 HD2 LYS 75 HD2 LYS 75 5.831 2.141 -7.565 207 HD3 LYS 75 HD1 LYS 75 4.450 3.021 -8.227 208 HE2 LYS 75 HE2 LYS 75 6.063 4.652 -9.206 209 HE3 LYS 75 HE1 LYS 75 7.374 3.596 -8.687 210 HZ1 LYS 75 HZ1 LYS 75 6.868 3.158 -10.968 211 HZ2 LYS 75 HZ2 LYS 75 5.222 2.951 -10.630 212 HZ3 LYS 75 HZ3 LYS 75 6.348 1.820 -10.058 213 H TRP 76 HN TRP 76 7.414 1.076 -4.749 214 HA TRP 76 HA TRP 76 8.706 2.835 -2.815 215 HB2 TRP 76 HB2 TRP 76 9.794 0.346 -4.146 216 HB3 TRP 76 HB1 TRP 76 10.475 1.173 -2.755 217 HD1 TRP 76 HD1 TRP 76 7.209 -0.734 -3.652 218 HE1 TRP 76 HE1 TRP 76 6.397 -1.948 -1.534 219 HE3 TRP 76 HE3 TRP 76 10.754 0.911 -0.374 220 HZ2 TRP 76 HZ2 TRP 76 7.176 -2.178 1.173 221 HZ3 TRP 76 HZ3 TRP 76 10.657 0.141 1.959 222 HH2 TRP 76 HH2 TRP 76 8.901 -1.377 2.715 223 H THR 77 HN THR 77 10.670 3.907 -3.256 224 HA THR 77 HA THR 77 10.718 4.941 -5.954 225 HB THR 77 HB THR 77 10.940 6.494 -4.079 226 HG1 THR 77 HG1 THR 77 12.786 7.615 -4.877 227 HG21 THR 77 HG21 THR 77 13.554 5.093 -3.511 228 HG22 THR 77 HG22 THR 77 12.112 5.063 -2.495 229 HG23 THR 77 HG23 THR 77 12.990 6.574 -2.736 230 H ASP 78 HN ASP 78 12.682 2.859 -3.972 231 HA ASP 78 HA ASP 78 14.717 2.597 -6.052 232 HB2 ASP 78 HB2 ASP 78 14.522 1.075 -3.448 233 HB3 ASP 78 HB1 ASP 78 15.943 1.283 -4.466 234 H MET 79 HN MET 79 12.375 0.703 -4.284 235 HA MET 79 HA MET 79 12.705 -1.648 -5.901 236 HB2 MET 79 HB2 MET 79 12.211 -1.688 -3.430 237 HB3 MET 79 HB1 MET 79 10.591 -1.122 -3.810 238 HG2 MET 79 HG2 MET 79 10.615 -3.523 -3.468 239 HG3 MET 79 HG1 MET 79 10.189 -3.131 -5.134 240 HE1 MET 79 HE1 MET 79 12.160 -6.495 -5.533 241 HE2 MET 79 HE2 MET 79 10.663 -5.633 -5.887 242 HE3 MET 79 HE3 MET 79 11.067 -6.051 -4.223 243 H SER 80 HN SER 80 12.025 0.475 -7.500 244 HA SER 80 HA SER 80 9.461 1.070 -8.174 245 HB2 SER 80 HB2 SER 80 11.524 0.314 -10.241 246 HB3 SER 80 HB1 SER 80 10.243 1.521 -10.377 247 HG SER 80 HG SER 80 11.316 2.805 -8.894 248 H ASP 81 HN ASP 81 10.908 -2.057 -8.440 249 HA ASP 81 HA ASP 81 8.865 -3.327 -9.961 250 HB2 ASP 81 HB2 ASP 81 11.108 -4.328 -9.552 251 HB3 ASP 81 HB1 ASP 81 10.695 -4.502 -7.849 252 H ALA 82 HN ALA 82 7.500 -1.642 -8.434 253 HA ALA 82 HA ALA 82 7.010 -1.912 -5.795 254 HB1 ALA 82 HB1 ALA 82 4.851 -0.868 -6.169 255 HB2 ALA 82 HB2 ALA 82 4.931 -1.290 -7.879 256 HB3 ALA 82 HB3 ALA 82 6.087 -0.143 -7.200 257 H THR 83 HN THR 83 5.901 -3.113 -4.440 258 HA THR 83 HA THR 83 4.683 -5.565 -5.509 259 HB THR 83 HB THR 83 6.805 -6.110 -4.504 260 HG1 THR 83 HG1 THR 83 5.655 -7.088 -2.368 261 HG21 THR 83 HG21 THR 83 7.313 -5.599 -2.154 262 HG22 THR 83 HG22 THR 83 5.820 -4.668 -2.041 263 HG23 THR 83 HG23 THR 83 7.114 -4.134 -3.114 264 H TRP 84 HN TRP 84 2.956 -6.461 -4.371 265 HA TRP 84 HA TRP 84 1.304 -4.575 -2.959 266 HB2 TRP 84 HB2 TRP 84 0.901 -7.478 -3.709 267 HB3 TRP 84 HB1 TRP 84 -0.301 -6.517 -2.851 268 HD1 TRP 84 HD1 TRP 84 1.501 -6.639 -6.261 269 HE1 TRP 84 HE1 TRP 84 0.014 -5.461 -8.002 270 HE3 TRP 84 HE3 TRP 84 -2.177 -4.948 -3.153 271 HZ2 TRP 84 HZ2 TRP 84 -2.412 -4.016 -8.044 272 HZ3 TRP 84 HZ3 TRP 84 -4.043 -3.672 -4.119 273 HH2 TRP 84 HH2 TRP 84 -4.157 -3.217 -6.513 274 H GLU 85 HN GLU 85 1.825 -4.137 -0.960 275 HA GLU 85 HA GLU 85 2.800 -6.266 0.804 276 HB2 GLU 85 HB2 GLU 85 2.924 -3.257 0.934 277 HB3 GLU 85 HB1 GLU 85 3.333 -4.267 2.313 278 HG2 GLU 85 HG2 GLU 85 4.658 -4.414 -0.374 279 HG3 GLU 85 HG1 GLU 85 5.290 -3.521 1.009 280 HA PRO 86 HA PRO 86 -1.100 -6.303 2.950 281 HB2 PRO 86 HB2 PRO 86 -0.225 -7.408 5.280 282 HB3 PRO 86 HB1 PRO 86 -0.465 -8.351 3.805 283 HG2 PRO 86 HG2 PRO 86 2.067 -7.265 4.967 284 HG3 PRO 86 HG1 PRO 86 1.767 -8.838 4.206 285 HD2 PRO 86 HD2 PRO 86 2.977 -6.763 2.912 286 HD3 PRO 86 HD1 PRO 86 1.997 -7.988 2.078 287 H GLN 87 HN GLN 87 -2.093 -4.723 4.111 288 HA GLN 87 HA GLN 87 -0.690 -2.403 4.725 289 HB2 GLN 87 HB2 GLN 87 -2.834 -1.826 6.062 290 HB3 GLN 87 HB1 GLN 87 -2.882 -1.933 4.314 291 HG2 GLN 87 HG2 GLN 87 -4.828 -2.977 5.138 292 HG3 GLN 87 HG1 GLN 87 -3.760 -4.269 4.601 293 HE21 GLN 87 HE21 GLN 87 -4.933 -2.525 7.390 294 HE22 GLN 87 HE22 GLN 87 -4.666 -3.795 8.544 295 H ASP 88 HN ASP 88 -1.399 -5.091 6.761 296 HA ASP 88 HA ASP 88 -0.777 -4.189 9.278 297 HB2 ASP 88 HB2 ASP 88 -1.389 -6.499 8.875 298 HB3 ASP 88 HB1 ASP 88 0.061 -6.758 7.915 299 H ASN 89 HN ASN 89 1.430 -4.994 6.647 300 HA ASN 89 HA ASN 89 3.759 -4.261 8.247 301 HB2 ASN 89 HB2 ASN 89 3.919 -6.286 6.899 302 HB3 ASN 89 HB1 ASN 89 3.491 -5.391 5.446 303 HD21 ASN 89 HD21 ASN 89 5.042 -4.253 4.372 304 HD22 ASN 89 HD22 ASN 89 6.712 -4.290 4.795 305 H VAL 90 HN VAL 90 1.758 -3.032 5.689 306 HA VAL 90 HA VAL 90 3.546 -1.077 4.656 307 HB VAL 90 HB VAL 90 0.520 -0.972 4.628 308 HG11 VAL 90 HG11 VAL 90 0.796 0.310 2.589 309 HG12 VAL 90 HG12 VAL 90 2.550 0.174 2.720 310 HG13 VAL 90 HG13 VAL 90 1.644 1.095 3.926 311 HG21 VAL 90 HG21 VAL 90 1.311 -3.130 3.795 312 HG22 VAL 90 HG22 VAL 90 2.367 -2.299 2.651 313 HG23 VAL 90 HG23 VAL 90 0.615 -2.147 2.506 314 H ASP 91 HN ASP 91 3.967 0.975 5.305 315 HA ASP 91 HA ASP 91 3.429 1.842 7.908 316 HB2 ASP 91 HB2 ASP 91 5.308 2.807 6.853 317 HB3 ASP 91 HB1 ASP 91 4.369 3.297 5.444 318 H SER 92 HN SER 92 1.805 2.866 8.822 319 HA SER 92 HA SER 92 -0.675 2.983 7.488 320 HB2 SER 92 HB2 SER 92 -0.323 2.483 9.919 321 HB3 SER 92 HB1 SER 92 0.010 4.194 10.168 322 HG SER 92 HG SER 92 -2.067 4.681 9.822 323 H THR 93 HN THR 93 1.796 5.345 8.064 324 HA THR 93 HA THR 93 0.157 7.653 7.781 325 HB THR 93 HB THR 93 3.127 7.424 7.252 326 HG1 THR 93 HG1 THR 93 1.634 7.350 9.594 327 HG21 THR 93 HG21 THR 93 3.157 9.796 7.888 328 HG22 THR 93 HG22 THR 93 1.402 9.768 8.065 329 HG23 THR 93 HG23 THR 93 2.132 9.522 6.479 330 H LEU 94 HN LEU 94 2.387 5.996 5.550 331 HA LEU 94 HA LEU 94 1.682 7.633 3.331 332 HB2 LEU 94 HB2 LEU 94 3.230 6.432 2.127 333 HB3 LEU 94 HB1 LEU 94 3.802 6.281 3.773 334 HG LEU 94 HG LEU 94 2.515 4.013 3.746 335 HD11 LEU 94 HD11 LEU 94 1.521 4.551 1.517 336 HD12 LEU 94 HD12 LEU 94 2.345 2.991 1.613 337 HD13 LEU 94 HD13 LEU 94 3.132 4.361 0.826 338 HD21 LEU 94 HD21 LEU 94 4.940 4.305 3.995 339 HD22 LEU 94 HD22 LEU 94 5.099 4.422 2.242 340 HD23 LEU 94 HD23 LEU 94 4.548 2.917 2.980 341 H VAL 95 HN VAL 95 0.699 4.453 4.434 342 HA VAL 95 HA VAL 95 -0.947 3.783 2.249 343 HB VAL 95 HB VAL 95 -0.276 2.365 4.373 344 HG11 VAL 95 HG11 VAL 95 -2.115 2.015 5.926 345 HG12 VAL 95 HG12 VAL 95 -3.011 3.332 5.169 346 HG13 VAL 95 HG13 VAL 95 -1.501 3.667 6.015 347 HG21 VAL 95 HG21 VAL 95 -1.321 1.445 2.411 348 HG22 VAL 95 HG22 VAL 95 -2.894 2.053 2.926 349 HG23 VAL 95 HG23 VAL 95 -2.092 0.787 3.858 350 H LEU 96 HN LEU 96 -1.584 5.737 5.119 351 HA LEU 96 HA LEU 96 -4.335 6.122 4.778 352 HB2 LEU 96 HB2 LEU 96 -3.063 6.731 6.807 353 HB3 LEU 96 HB1 LEU 96 -2.304 8.041 5.922 354 HG LEU 96 HG LEU 96 -4.525 9.102 5.633 355 HD11 LEU 96 HD11 LEU 96 -5.918 7.109 5.760 356 HD12 LEU 96 HD12 LEU 96 -6.413 8.295 6.968 357 HD13 LEU 96 HD13 LEU 96 -5.469 6.885 7.451 358 HD21 LEU 96 HD21 LEU 96 -3.814 8.490 8.500 359 HD22 LEU 96 HD22 LEU 96 -4.740 9.875 7.918 360 HD23 LEU 96 HD23 LEU 96 -3.038 9.711 7.492 361 H LEU 97 HN LEU 97 -1.599 7.504 3.129 362 HA LEU 97 HA LEU 97 -2.867 9.823 2.118 363 HB2 LEU 97 HB2 LEU 97 -0.620 8.258 0.852 364 HB3 LEU 97 HB1 LEU 97 -1.034 9.934 0.542 365 HG LEU 97 HG LEU 97 0.028 8.822 3.132 366 HD11 LEU 97 HD11 LEU 97 1.296 10.620 1.073 367 HD12 LEU 97 HD12 LEU 97 1.721 8.938 1.394 368 HD13 LEU 97 HD13 LEU 97 2.004 10.171 2.624 369 HD21 LEU 97 HD21 LEU 97 0.103 11.141 3.877 370 HD22 LEU 97 HD22 LEU 97 -1.548 10.642 3.505 371 HD23 LEU 97 HD23 LEU 97 -0.654 11.655 2.370 372 H TYR 98 HN TYR 98 -2.841 6.481 1.174 373 HA TYR 98 HA TYR 98 -4.141 7.067 -1.367 374 HB2 TYR 98 HB2 TYR 98 -2.542 5.199 -1.281 375 HB3 TYR 98 HB1 TYR 98 -3.550 4.390 -0.082 376 HD1 TYR 98 HD1 TYR 98 -3.526 5.619 -3.586 377 HD2 TYR 98 HD2 TYR 98 -5.352 3.034 -0.748 378 HE1 TYR 98 HE1 TYR 98 -4.824 4.569 -5.391 379 HE2 TYR 98 HE2 TYR 98 -6.652 1.975 -2.545 380 HH TYR 98 HH TYR 98 -7.463 2.528 -4.803 381 H GLN 99 HN GLN 99 -4.919 5.812 1.823 382 HA GLN 99 HA GLN 99 -7.576 5.059 1.252 383 HB2 GLN 99 HB2 GLN 99 -6.451 6.032 3.881 384 HB3 GLN 99 HB1 GLN 99 -7.949 5.136 3.666 385 HG2 GLN 99 HG2 GLN 99 -6.572 3.282 2.673 386 HG3 GLN 99 HG1 GLN 99 -5.145 4.163 3.213 387 HE21 GLN 99 HE21 GLN 99 -4.740 4.349 5.426 388 HE22 GLN 99 HE22 GLN 99 -5.490 3.301 6.581 389 H GLN 100 HN GLN 100 -6.106 8.148 1.958 390 HA GLN 100 HA GLN 100 -8.588 9.546 2.245 391 HB2 GLN 100 HB2 GLN 100 -5.768 10.507 1.762 392 HB3 GLN 100 HB1 GLN 100 -7.137 11.595 1.946 393 HG2 GLN 100 HG2 GLN 100 -7.544 10.723 4.183 394 HG3 GLN 100 HG1 GLN 100 -6.196 9.605 4.001 395 HE21 GLN 100 HE21 GLN 100 -6.100 12.887 2.790 396 HE22 GLN 100 HE22 GLN 100 -4.945 13.474 3.941 397 H GLN 101 HN GLN 101 -6.870 8.302 -0.397 398 HA GLN 101 HA GLN 101 -8.052 10.127 -2.337 399 HB2 GLN 101 HB2 GLN 101 -6.373 7.635 -2.713 400 HB3 GLN 101 HB1 GLN 101 -6.922 8.688 -4.013 401 HG2 GLN 101 HG2 GLN 101 -5.601 10.504 -3.183 402 HG3 GLN 101 HG1 GLN 101 -5.174 9.591 -1.737 403 HE21 GLN 101 HE21 GLN 101 -2.992 9.732 -2.110 404 HE22 GLN 101 HE22 GLN 101 -2.197 8.877 -3.387 405 H GLN 102 HN GLN 102 -8.588 7.050 -0.876 406 HA GLN 102 HA GLN 102 -10.520 6.013 -2.655 407 HB2 GLN 102 HB2 GLN 102 -9.976 5.606 0.280 408 HB3 GLN 102 HB1 GLN 102 -11.290 4.782 -0.542 409 HG2 GLN 102 HG2 GLN 102 -8.377 4.575 -1.260 410 HG3 GLN 102 HG1 GLN 102 -9.300 3.385 -0.341 411 HE21 GLN 102 HE21 GLN 102 -11.050 2.328 -1.400 412 HE22 GLN 102 HE22 GLN 102 -11.013 2.088 -3.114 413 HA PRO 103 HA PRO 103 -14.055 8.558 -1.717 414 HB2 PRO 103 HB2 PRO 103 -16.045 6.726 -2.116 415 HB3 PRO 103 HB1 PRO 103 -15.193 7.535 -3.436 416 HG2 PRO 103 HG2 PRO 103 -14.765 4.803 -2.294 417 HG3 PRO 103 HG1 PRO 103 -14.758 5.323 -3.990 418 HD2 PRO 103 HD2 PRO 103 -12.480 4.885 -2.602 419 HD3 PRO 103 HD1 PRO 103 -12.600 6.124 -3.867 420 H MET 104 HN MET 104 -13.792 8.941 0.448 421 HA MET 104 HA MET 104 -14.017 7.105 2.537 422 HB2 MET 104 HB2 MET 104 -13.013 9.366 2.718 423 HB3 MET 104 HB1 MET 104 -14.617 10.070 2.590 424 HG2 MET 104 HG2 MET 104 -15.273 8.952 4.664 425 HG3 MET 104 HG1 MET 104 -13.657 8.263 4.796 426 HE1 MET 104 HE1 MET 104 -13.498 9.233 7.267 427 HE2 MET 104 HE2 MET 104 -15.099 9.955 7.108 428 HE3 MET 104 HE3 MET 104 -13.743 10.934 7.668 429 H ASN 105 HN ASN 105 -16.430 9.293 1.146 430 HA ASN 105 HA ASN 105 -18.508 7.492 2.168 431 HB2 ASN 105 HB2 ASN 105 -18.527 9.434 3.637 432 HB3 ASN 105 HB1 ASN 105 -18.601 10.516 2.249 433 HD21 ASN 105 HD21 ASN 105 -20.353 8.154 4.135 434 HD22 ASN 105 HD22 ASN 105 -21.935 8.622 3.593 435 H GLU 106 HN GLU 106 -19.211 6.568 0.399 436 HA GLU 106 HA GLU 106 -20.447 8.105 -1.684 437 HB2 GLU 106 HB2 GLU 106 -18.086 8.143 -2.420 438 HB3 GLU 106 HB1 GLU 106 -18.035 6.390 -2.339 439 HG2 GLU 106 HG2 GLU 106 -18.268 7.147 -4.627 440 HG3 GLU 106 HG1 GLU 106 -19.694 6.246 -4.118 Start of MODEL 8 1 H1 GLY 49 HT1 GLY 49 22.068 8.255 1.624 2 H2 GLY 49 HT2 GLY 49 21.013 8.615 0.353 3 H3 GLY 49 HT3 GLY 49 22.655 9.026 0.231 4 HA2 GLY 49 HA1 GLY 49 22.199 7.083 -1.097 5 HA3 GLY 49 HA2 GLY 49 23.270 6.693 0.243 6 H LEU 50 HN LEU 50 19.996 6.437 -0.996 7 HA LEU 50 HA LEU 50 19.145 4.716 1.168 8 HB2 LEU 50 HB2 LEU 50 17.830 5.342 -1.478 9 HB3 LEU 50 HB1 LEU 50 17.080 4.479 -0.149 10 HG LEU 50 HG LEU 50 17.992 7.358 -0.055 11 HD11 LEU 50 HD11 LEU 50 15.616 7.900 -0.044 12 HD12 LEU 50 HD12 LEU 50 15.223 6.195 -0.258 13 HD13 LEU 50 HD13 LEU 50 16.083 7.067 -1.527 14 HD21 LEU 50 HD21 LEU 50 16.421 5.725 1.935 15 HD22 LEU 50 HD22 LEU 50 16.805 7.441 2.069 16 HD23 LEU 50 HD23 LEU 50 18.099 6.243 2.119 17 H GLU 51 HN GLU 51 20.195 2.831 1.251 18 HA GLU 51 HA GLU 51 21.026 1.418 -1.110 19 HB2 GLU 51 HB2 GLU 51 20.969 0.433 1.747 20 HB3 GLU 51 HB1 GLU 51 21.914 -0.231 0.420 21 HG2 GLU 51 HG2 GLU 51 23.202 1.838 0.300 22 HG3 GLU 51 HG1 GLU 51 22.255 2.504 1.630 23 H TYR 52 HN TYR 52 18.474 1.139 1.275 24 HA TYR 52 HA TYR 52 17.365 -1.176 -0.125 25 HB2 TYR 52 HB2 TYR 52 16.631 0.075 2.530 26 HB3 TYR 52 HB1 TYR 52 15.838 -1.333 1.835 27 HD1 TYR 52 HD1 TYR 52 16.992 -3.486 1.721 28 HD2 TYR 52 HD2 TYR 52 18.834 -0.092 3.508 29 HE1 TYR 52 HE1 TYR 52 18.681 -4.948 2.744 30 HE2 TYR 52 HE2 TYR 52 20.528 -1.547 4.537 31 HH TYR 52 HH TYR 52 20.905 -3.821 5.136 32 H ALA 53 HN ALA 53 14.971 -1.169 -0.396 33 HA ALA 53 HA ALA 53 14.206 1.117 -1.902 34 HB1 ALA 53 HB1 ALA 53 13.505 -1.153 -2.512 35 HB2 ALA 53 HB2 ALA 53 12.122 -0.080 -2.292 36 HB3 ALA 53 HB3 ALA 53 12.543 -1.243 -1.037 37 H VAL 54 HN VAL 54 12.976 2.811 -1.354 38 HA VAL 54 HA VAL 54 11.750 2.842 1.319 39 HB VAL 54 HB VAL 54 12.732 5.181 -0.334 40 HG11 VAL 54 HG11 VAL 54 10.775 5.781 0.989 41 HG12 VAL 54 HG12 VAL 54 12.228 6.543 1.639 42 HG13 VAL 54 HG13 VAL 54 11.542 5.129 2.439 43 HG21 VAL 54 HG21 VAL 54 14.416 5.444 1.427 44 HG22 VAL 54 HG22 VAL 54 14.563 3.888 0.611 45 HG23 VAL 54 HG23 VAL 54 13.821 3.980 2.209 46 H ALA 55 HN ALA 55 9.610 3.216 1.459 47 HA ALA 55 HA ALA 55 8.003 2.982 -0.859 48 HB1 ALA 55 HB1 ALA 55 7.207 3.697 1.957 49 HB2 ALA 55 HB2 ALA 55 7.360 2.063 1.312 50 HB3 ALA 55 HB3 ALA 55 6.125 3.150 0.676 51 H GLU 56 HN GLU 56 7.484 4.516 -2.236 52 HA GLU 56 HA GLU 56 7.718 7.320 -1.639 53 HB2 GLU 56 HB2 GLU 56 6.583 5.857 -4.032 54 HB3 GLU 56 HB1 GLU 56 6.764 7.602 -3.933 55 HG2 GLU 56 HG2 GLU 56 9.054 5.670 -3.686 56 HG3 GLU 56 HG1 GLU 56 8.547 6.415 -5.204 57 H SER 57 HN SER 57 5.006 5.207 -2.558 58 HA SER 57 HA SER 57 3.215 6.383 -0.667 59 HB2 SER 57 HB2 SER 57 2.801 6.969 -3.611 60 HB3 SER 57 HB1 SER 57 1.576 7.213 -2.369 61 HG SER 57 HG SER 57 3.892 8.394 -1.653 62 H VAL 58 HN VAL 58 1.019 5.403 -0.877 63 HA VAL 58 HA VAL 58 1.178 2.694 -2.011 64 HB VAL 58 HB VAL 58 -0.768 3.779 0.042 65 HG11 VAL 58 HG11 VAL 58 -1.318 1.408 0.407 66 HG12 VAL 58 HG12 VAL 58 -0.250 0.974 -0.928 67 HG13 VAL 58 HG13 VAL 58 -1.693 1.940 -1.234 68 HG21 VAL 58 HG21 VAL 58 1.668 2.040 0.419 69 HG22 VAL 58 HG22 VAL 58 0.502 2.464 1.674 70 HG23 VAL 58 HG23 VAL 58 1.497 3.719 0.934 71 H ILE 59 HN ILE 59 -0.034 2.251 -3.782 72 HA ILE 59 HA ILE 59 -2.090 4.245 -4.501 73 HB ILE 59 HB ILE 59 -1.440 4.297 -6.774 74 HG12 ILE 59 HG12 ILE 59 -0.889 1.907 -7.083 75 HG13 ILE 59 HG11 ILE 59 0.345 2.957 -7.763 76 HG21 ILE 59 HG21 ILE 59 -0.115 5.716 -5.337 77 HG22 ILE 59 HG22 ILE 59 0.861 5.128 -6.683 78 HG23 ILE 59 HG23 ILE 59 1.046 4.415 -5.081 79 HD11 ILE 59 HD11 ILE 59 1.688 2.562 -5.684 80 HD12 ILE 59 HD12 ILE 59 1.442 1.149 -6.706 81 HD13 ILE 59 HD13 ILE 59 0.490 1.341 -5.231 82 H GLY 60 HN GLY 60 -1.611 1.066 -3.791 83 HA2 GLY 60 HA2 GLY 60 -3.976 0.306 -5.361 84 HA3 GLY 60 HA1 GLY 60 -2.553 -0.717 -5.398 85 H LYS 61 HN LYS 61 -5.266 -1.323 -4.471 86 HA LYS 61 HA LYS 61 -4.481 -2.476 -1.915 87 HB2 LYS 61 HB2 LYS 61 -5.612 -0.384 -1.290 88 HB3 LYS 61 HB1 LYS 61 -7.014 -0.850 -2.242 89 HG2 LYS 61 HG2 LYS 61 -7.355 -2.784 -0.776 90 HG3 LYS 61 HG1 LYS 61 -5.965 -2.282 0.188 91 HD2 LYS 61 HD2 LYS 61 -7.126 -0.127 0.631 92 HD3 LYS 61 HD1 LYS 61 -8.541 -0.761 -0.210 93 HE2 LYS 61 HE2 LYS 61 -8.680 -2.589 1.414 94 HE3 LYS 61 HE1 LYS 61 -7.264 -1.956 2.250 95 HZ1 LYS 61 HZ1 LYS 61 -9.257 -1.275 3.382 96 HZ2 LYS 61 HZ2 LYS 61 -9.897 -0.608 1.959 97 HZ3 LYS 61 HZ3 LYS 61 -8.529 0.091 2.682 98 H ARG 62 HN ARG 62 -4.833 -4.587 -2.173 99 HA ARG 62 HA ARG 62 -7.141 -5.385 -3.806 100 HB2 ARG 62 HB2 ARG 62 -4.540 -6.764 -3.248 101 HB3 ARG 62 HB1 ARG 62 -5.954 -7.688 -3.730 102 HG2 ARG 62 HG2 ARG 62 -4.521 -5.560 -5.289 103 HG3 ARG 62 HG1 ARG 62 -4.699 -7.271 -5.685 104 HD2 ARG 62 HD2 ARG 62 -6.853 -5.163 -5.656 105 HD3 ARG 62 HD1 ARG 62 -6.193 -5.996 -7.063 106 HE ARG 62 HE ARG 62 -7.165 -8.036 -5.588 107 HH11 ARG 62 HH11 ARG 62 -8.554 -4.984 -6.601 108 HH12 ARG 62 HH12 ARG 62 -10.177 -5.594 -6.685 109 HH21 ARG 62 HH21 ARG 62 -9.306 -8.844 -5.665 110 HH22 ARG 62 HH22 ARG 62 -10.604 -7.805 -6.152 111 H VAL 63 HN VAL 63 -8.832 -5.733 -2.630 112 HA VAL 63 HA VAL 63 -8.657 -7.159 -0.099 113 HB VAL 63 HB VAL 63 -11.109 -6.254 -1.630 114 HG11 VAL 63 HG11 VAL 63 -10.777 -7.155 1.229 115 HG12 VAL 63 HG12 VAL 63 -11.591 -8.037 -0.066 116 HG13 VAL 63 HG13 VAL 63 -12.264 -6.517 0.524 117 HG21 VAL 63 HG21 VAL 63 -9.736 -4.334 -1.026 118 HG22 VAL 63 HG22 VAL 63 -9.680 -4.885 0.648 119 HG23 VAL 63 HG23 VAL 63 -11.211 -4.377 -0.061 120 H GLY 64 HN GLY 64 -8.851 -9.343 0.004 121 HA2 GLY 64 HA2 GLY 64 -8.875 -10.944 -2.287 122 HA3 GLY 64 HA1 GLY 64 -9.244 -11.507 -0.662 123 H ASP 65 HN ASP 65 -10.421 -11.541 -3.634 124 HA ASP 65 HA ASP 65 -13.024 -10.462 -3.406 125 HB2 ASP 65 HB2 ASP 65 -12.023 -12.603 -5.298 126 HB3 ASP 65 HB1 ASP 65 -13.504 -11.668 -5.489 127 H ASP 66 HN ASP 66 -11.616 -13.484 -2.524 128 HA ASP 66 HA ASP 66 -14.226 -14.703 -2.013 129 HB2 ASP 66 HB2 ASP 66 -11.429 -15.833 -1.768 130 HB3 ASP 66 HB1 ASP 66 -12.912 -16.735 -1.478 131 H GLY 67 HN GLY 67 -12.729 -12.470 -0.431 132 HA2 GLY 67 HA2 GLY 67 -12.945 -11.888 1.833 133 HA3 GLY 67 HA1 GLY 67 -13.310 -13.568 2.210 134 H LYS 68 HN LYS 68 -10.628 -12.772 0.223 135 HA LYS 68 HA LYS 68 -8.812 -13.994 2.109 136 HB2 LYS 68 HB2 LYS 68 -8.270 -12.919 -0.667 137 HB3 LYS 68 HB1 LYS 68 -7.185 -13.923 0.287 138 HG2 LYS 68 HG2 LYS 68 -8.978 -15.683 0.282 139 HG3 LYS 68 HG1 LYS 68 -9.839 -14.694 -0.895 140 HD2 LYS 68 HD2 LYS 68 -7.872 -14.825 -2.384 141 HD3 LYS 68 HD1 LYS 68 -7.092 -15.898 -1.219 142 HE2 LYS 68 HE2 LYS 68 -9.682 -16.417 -2.679 143 HE3 LYS 68 HE1 LYS 68 -8.127 -17.174 -3.018 144 HZ1 LYS 68 HZ1 LYS 68 -9.636 -18.575 -1.689 145 HZ2 LYS 68 HZ2 LYS 68 -9.594 -17.430 -0.442 146 HZ3 LYS 68 HZ3 LYS 68 -8.177 -18.250 -0.888 147 H THR 69 HN THR 69 -6.810 -13.005 2.747 148 HA THR 69 HA THR 69 -7.289 -10.637 4.105 149 HB THR 69 HB THR 69 -4.561 -11.737 3.422 150 HG1 THR 69 HG1 THR 69 -4.912 -13.319 4.821 151 HG21 THR 69 HG21 THR 69 -3.926 -10.807 5.586 152 HG22 THR 69 HG22 THR 69 -5.576 -10.231 5.831 153 HG23 THR 69 HG23 THR 69 -4.591 -9.549 4.538 154 H ILE 70 HN ILE 70 -6.874 -8.550 3.772 155 HA ILE 70 HA ILE 70 -6.504 -7.626 1.086 156 HB ILE 70 HB ILE 70 -6.715 -6.062 3.664 157 HG12 ILE 70 HG12 ILE 70 -8.855 -6.745 1.638 158 HG13 ILE 70 HG11 ILE 70 -8.677 -7.515 3.211 159 HG21 ILE 70 HG21 ILE 70 -7.045 -5.196 0.794 160 HG22 ILE 70 HG22 ILE 70 -5.739 -4.734 1.886 161 HG23 ILE 70 HG23 ILE 70 -7.388 -4.193 2.204 162 HD11 ILE 70 HD11 ILE 70 -9.107 -5.373 4.301 163 HD12 ILE 70 HD12 ILE 70 -10.432 -5.838 3.234 164 HD13 ILE 70 HD13 ILE 70 -9.280 -4.607 2.722 165 H GLU 71 HN GLU 71 -4.712 -6.820 0.160 166 HA GLU 71 HA GLU 71 -2.453 -6.098 1.903 167 HB2 GLU 71 HB2 GLU 71 -2.358 -7.693 -0.655 168 HB3 GLU 71 HB1 GLU 71 -0.939 -6.926 0.051 169 HG2 GLU 71 HG2 GLU 71 -1.138 -8.248 2.035 170 HG3 GLU 71 HG1 GLU 71 -2.670 -8.913 1.483 171 H TYR 72 HN TYR 72 -0.924 -4.611 0.883 172 HA TYR 72 HA TYR 72 -2.420 -2.696 -0.791 173 HB2 TYR 72 HB2 TYR 72 -0.691 -2.324 1.598 174 HB3 TYR 72 HB1 TYR 72 -0.644 -1.082 0.353 175 HD1 TYR 72 HD2 TYR 72 -2.957 -0.206 -0.449 176 HD2 TYR 72 HD1 TYR 72 -2.295 -2.184 3.264 177 HE1 TYR 72 HE2 TYR 72 -5.008 0.814 0.465 178 HE2 TYR 72 HE1 TYR 72 -4.344 -1.174 4.179 179 HH TYR 72 HH TYR 72 -5.785 0.785 3.771 180 H LEU 73 HN LEU 73 -1.499 -1.825 -2.541 181 HA LEU 73 HA LEU 73 1.089 -2.863 -3.382 182 HB2 LEU 73 HB2 LEU 73 -0.765 -2.870 -4.987 183 HB3 LEU 73 HB1 LEU 73 -0.917 -1.138 -4.831 184 HG LEU 73 HG LEU 73 1.295 -0.826 -5.833 185 HD11 LEU 73 HD11 LEU 73 2.323 -2.904 -5.064 186 HD12 LEU 73 HD12 LEU 73 2.496 -2.702 -6.808 187 HD13 LEU 73 HD13 LEU 73 1.295 -3.822 -6.164 188 HD21 LEU 73 HD21 LEU 73 0.724 -1.545 -8.108 189 HD22 LEU 73 HD22 LEU 73 -0.661 -0.835 -7.277 190 HD23 LEU 73 HD23 LEU 73 -0.545 -2.586 -7.456 191 H VAL 74 HN VAL 74 2.816 -1.818 -2.783 192 HA VAL 74 HA VAL 74 2.593 1.063 -2.244 193 HB VAL 74 HB VAL 74 4.679 -0.845 -1.184 194 HG11 VAL 74 HG11 VAL 74 3.945 1.968 -0.376 195 HG12 VAL 74 HG12 VAL 74 5.392 1.484 -1.259 196 HG13 VAL 74 HG13 VAL 74 5.158 0.954 0.406 197 HG21 VAL 74 HG21 VAL 74 2.191 0.178 0.173 198 HG22 VAL 74 HG22 VAL 74 3.476 -0.752 0.947 199 HG23 VAL 74 HG23 VAL 74 2.501 -1.484 -0.329 200 H LYS 75 HN LYS 75 3.735 2.408 -3.438 201 HA LYS 75 HA LYS 75 5.445 1.327 -5.516 202 HB2 LYS 75 HB2 LYS 75 3.762 3.019 -6.092 203 HB3 LYS 75 HB1 LYS 75 4.486 4.143 -4.955 204 HG2 LYS 75 HG2 LYS 75 5.074 4.673 -7.257 205 HG3 LYS 75 HG1 LYS 75 6.497 4.249 -6.306 206 HD2 LYS 75 HD2 LYS 75 6.584 2.069 -7.294 207 HD3 LYS 75 HD1 LYS 75 5.033 2.321 -8.101 208 HE2 LYS 75 HE2 LYS 75 5.962 4.013 -9.504 209 HE3 LYS 75 HE1 LYS 75 7.475 4.009 -8.602 210 HZ1 LYS 75 HZ1 LYS 75 7.706 2.805 -10.668 211 HZ2 LYS 75 HZ2 LYS 75 6.427 1.770 -10.254 212 HZ3 LYS 75 HZ3 LYS 75 7.866 1.736 -9.360 213 H TRP 76 HN TRP 76 7.349 0.742 -4.596 214 HA TRP 76 HA TRP 76 8.722 2.571 -2.816 215 HB2 TRP 76 HB2 TRP 76 9.610 -0.101 -3.916 216 HB3 TRP 76 HB1 TRP 76 10.431 0.813 -2.656 217 HD1 TRP 76 HD1 TRP 76 7.033 -0.958 -3.239 218 HE1 TRP 76 HE1 TRP 76 6.166 -1.804 -0.976 219 HE3 TRP 76 HE3 TRP 76 10.665 0.963 -0.212 220 HZ2 TRP 76 HZ2 TRP 76 6.922 -1.667 1.746 221 HZ3 TRP 76 HZ3 TRP 76 10.519 0.559 2.208 222 HH2 TRP 76 HH2 TRP 76 8.687 -0.729 3.167 223 H THR 77 HN THR 77 10.881 3.345 -3.260 224 HA THR 77 HA THR 77 10.617 4.740 -5.742 225 HB THR 77 HB THR 77 11.107 5.929 -3.674 226 HG1 THR 77 HG1 THR 77 12.327 7.363 -4.691 227 HG21 THR 77 HG21 THR 77 12.494 4.281 -2.552 228 HG22 THR 77 HG22 THR 77 13.349 5.820 -2.666 229 HG23 THR 77 HG23 THR 77 13.765 4.496 -3.758 230 H ASP 78 HN ASP 78 12.667 2.035 -4.865 231 HA ASP 78 HA ASP 78 15.019 3.161 -6.002 232 HB2 ASP 78 HB2 ASP 78 15.215 1.499 -4.258 233 HB3 ASP 78 HB1 ASP 78 14.415 0.296 -5.268 234 H MET 79 HN MET 79 13.278 0.204 -7.222 235 HA MET 79 HA MET 79 13.394 1.489 -9.849 236 HB2 MET 79 HB2 MET 79 15.474 0.180 -9.684 237 HB3 MET 79 HB1 MET 79 14.530 -1.272 -9.390 238 HG2 MET 79 HG2 MET 79 13.507 -1.038 -11.608 239 HG3 MET 79 HG1 MET 79 14.501 0.390 -11.902 240 HE1 MET 79 HE1 MET 79 15.565 -0.578 -14.117 241 HE2 MET 79 HE2 MET 79 14.490 -1.963 -13.950 242 HE3 MET 79 HE3 MET 79 16.207 -2.215 -14.253 243 H SER 80 HN SER 80 12.741 -1.811 -8.724 244 HA SER 80 HA SER 80 10.171 -1.715 -10.168 245 HB2 SER 80 HB2 SER 80 11.816 -3.211 -11.219 246 HB3 SER 80 HB1 SER 80 12.009 -4.078 -9.698 247 HG SER 80 HG SER 80 9.806 -4.683 -9.850 248 H ASP 81 HN ASP 81 10.940 -1.190 -7.267 249 HA ASP 81 HA ASP 81 10.387 -3.566 -5.809 250 HB2 ASP 81 HB2 ASP 81 10.583 -0.774 -4.702 251 HB3 ASP 81 HB1 ASP 81 10.909 -2.293 -3.871 252 H ALA 82 HN ALA 82 8.132 -1.846 -7.341 253 HA ALA 82 HA ALA 82 6.234 -1.303 -5.308 254 HB1 ALA 82 HB1 ALA 82 5.716 -1.957 -8.205 255 HB2 ALA 82 HB2 ALA 82 6.035 -0.347 -7.555 256 HB3 ALA 82 HB3 ALA 82 4.574 -1.219 -7.079 257 H THR 83 HN THR 83 5.860 -2.893 -3.907 258 HA THR 83 HA THR 83 5.025 -5.515 -4.950 259 HB THR 83 HB THR 83 7.163 -5.831 -3.934 260 HG1 THR 83 HG1 THR 83 5.878 -6.670 -1.674 261 HG21 THR 83 HG21 THR 83 7.675 -5.129 -1.639 262 HG22 THR 83 HG22 THR 83 6.105 -4.336 -1.536 263 HG23 THR 83 HG23 THR 83 7.313 -3.751 -2.680 264 H TRP 84 HN TRP 84 3.414 -6.613 -3.804 265 HA TRP 84 HA TRP 84 1.580 -4.901 -2.354 266 HB2 TRP 84 HB2 TRP 84 1.408 -7.801 -3.212 267 HB3 TRP 84 HB1 TRP 84 0.134 -6.962 -2.331 268 HD1 TRP 84 HD1 TRP 84 1.792 -7.093 -5.785 269 HE1 TRP 84 HE1 TRP 84 0.257 -5.893 -7.473 270 HE3 TRP 84 HE3 TRP 84 -1.672 -5.196 -2.539 271 HZ2 TRP 84 HZ2 TRP 84 -2.104 -4.366 -7.436 272 HZ3 TRP 84 HZ3 TRP 84 -3.538 -3.880 -3.450 273 HH2 TRP 84 HH2 TRP 84 -3.750 -3.472 -5.846 274 H GLU 85 HN GLU 85 2.069 -4.528 -0.331 275 HA GLU 85 HA GLU 85 3.321 -6.658 1.259 276 HB2 GLU 85 HB2 GLU 85 3.318 -3.660 1.655 277 HB3 GLU 85 HB1 GLU 85 4.081 -4.815 2.738 278 HG2 GLU 85 HG2 GLU 85 4.795 -4.440 -0.151 279 HG3 GLU 85 HG1 GLU 85 5.665 -3.723 1.203 280 HA PRO 86 HA PRO 86 -0.132 -6.801 4.087 281 HB2 PRO 86 HB2 PRO 86 1.234 -7.326 6.387 282 HB3 PRO 86 HB1 PRO 86 0.939 -8.547 5.143 283 HG2 PRO 86 HG2 PRO 86 3.393 -6.911 5.647 284 HG3 PRO 86 HG1 PRO 86 3.256 -8.636 5.258 285 HD2 PRO 86 HD2 PRO 86 3.909 -6.784 3.391 286 HD3 PRO 86 HD1 PRO 86 2.955 -8.232 3.004 287 H GLN 87 HN GLN 87 -1.175 -5.392 5.361 288 HA GLN 87 HA GLN 87 -0.619 -2.733 5.256 289 HB2 GLN 87 HB2 GLN 87 -2.308 -4.087 7.359 290 HB3 GLN 87 HB1 GLN 87 -2.423 -2.405 6.858 291 HG2 GLN 87 HG2 GLN 87 -3.056 -3.162 4.595 292 HG3 GLN 87 HG1 GLN 87 -3.022 -4.826 5.176 293 HE21 GLN 87 HE21 GLN 87 -4.153 -2.115 7.077 294 HE22 GLN 87 HE22 GLN 87 -5.822 -2.585 7.104 295 H ASP 88 HN ASP 88 0.414 -4.953 7.783 296 HA ASP 88 HA ASP 88 1.085 -2.933 9.684 297 HB2 ASP 88 HB2 ASP 88 2.188 -4.697 10.924 298 HB3 ASP 88 HB1 ASP 88 0.669 -5.320 10.290 299 H ASN 89 HN ASN 89 2.723 -4.419 7.000 300 HA ASN 89 HA ASN 89 5.284 -3.200 7.677 301 HB2 ASN 89 HB2 ASN 89 5.233 -5.468 6.689 302 HB3 ASN 89 HB1 ASN 89 4.436 -4.824 5.260 303 HD21 ASN 89 HD21 ASN 89 5.628 -3.712 3.745 304 HD22 ASN 89 HD22 ASN 89 7.353 -3.662 3.763 305 H VAL 90 HN VAL 90 2.507 -2.693 5.700 306 HA VAL 90 HA VAL 90 3.627 -0.807 3.895 307 HB VAL 90 HB VAL 90 0.720 -1.131 4.717 308 HG11 VAL 90 HG11 VAL 90 1.957 0.105 2.260 309 HG12 VAL 90 HG12 VAL 90 1.217 0.991 3.591 310 HG13 VAL 90 HG13 VAL 90 0.233 -0.070 2.584 311 HG21 VAL 90 HG21 VAL 90 2.243 -2.363 2.422 312 HG22 VAL 90 HG22 VAL 90 0.511 -2.514 2.722 313 HG23 VAL 90 HG23 VAL 90 1.666 -3.211 3.857 314 H ASP 91 HN ASP 91 4.012 1.300 4.145 315 HA ASP 91 HA ASP 91 4.093 2.515 6.653 316 HB2 ASP 91 HB2 ASP 91 5.490 3.244 4.775 317 HB3 ASP 91 HB1 ASP 91 4.061 3.826 3.927 318 H SER 92 HN SER 92 2.588 3.355 7.879 319 HA SER 92 HA SER 92 -0.131 3.268 7.048 320 HB2 SER 92 HB2 SER 92 0.597 2.693 9.338 321 HB3 SER 92 HB1 SER 92 1.046 4.377 9.604 322 HG SER 92 HG SER 92 -1.491 4.226 8.699 323 H THR 93 HN THR 93 2.236 5.793 7.231 324 HA THR 93 HA THR 93 0.421 7.994 7.305 325 HB THR 93 HB THR 93 3.266 7.894 6.264 326 HG1 THR 93 HG1 THR 93 3.312 7.346 8.419 327 HG21 THR 93 HG21 THR 93 3.282 10.313 6.681 328 HG22 THR 93 HG22 THR 93 1.584 10.245 7.153 329 HG23 THR 93 HG23 THR 93 2.054 9.877 5.493 330 H LEU 94 HN LEU 94 2.190 6.318 4.746 331 HA LEU 94 HA LEU 94 1.113 7.788 2.586 332 HB2 LEU 94 HB2 LEU 94 2.168 4.963 2.639 333 HB3 LEU 94 HB1 LEU 94 1.929 5.937 1.197 334 HG LEU 94 HG LEU 94 3.830 6.655 3.427 335 HD11 LEU 94 HD11 LEU 94 4.523 4.598 2.346 336 HD12 LEU 94 HD12 LEU 94 5.598 5.929 1.913 337 HD13 LEU 94 HD13 LEU 94 4.383 5.366 0.763 338 HD21 LEU 94 HD21 LEU 94 3.041 8.570 2.140 339 HD22 LEU 94 HD22 LEU 94 3.482 7.755 0.640 340 HD23 LEU 94 HD23 LEU 94 4.736 8.230 1.785 341 H VAL 95 HN VAL 95 0.156 4.724 4.108 342 HA VAL 95 HA VAL 95 -2.026 4.114 2.486 343 HB VAL 95 HB VAL 95 -1.537 3.571 5.414 344 HG11 VAL 95 HG11 VAL 95 -3.954 3.572 5.094 345 HG12 VAL 95 HG12 VAL 95 -3.351 1.925 5.305 346 HG13 VAL 95 HG13 VAL 95 -3.779 2.508 3.697 347 HG21 VAL 95 HG21 VAL 95 -1.202 1.295 4.558 348 HG22 VAL 95 HG22 VAL 95 -0.068 2.468 3.887 349 HG23 VAL 95 HG23 VAL 95 -1.439 1.913 2.924 350 H LEU 96 HN LEU 96 -1.799 6.192 5.315 351 HA LEU 96 HA LEU 96 -4.464 6.910 5.587 352 HB2 LEU 96 HB2 LEU 96 -2.544 7.467 7.108 353 HB3 LEU 96 HB1 LEU 96 -2.048 8.691 5.962 354 HG LEU 96 HG LEU 96 -3.333 9.443 8.039 355 HD11 LEU 96 HD11 LEU 96 -4.342 10.277 5.330 356 HD12 LEU 96 HD12 LEU 96 -2.916 10.911 6.152 357 HD13 LEU 96 HD13 LEU 96 -4.523 11.192 6.827 358 HD21 LEU 96 HD21 LEU 96 -5.629 8.332 6.437 359 HD22 LEU 96 HD22 LEU 96 -5.775 9.363 7.861 360 HD23 LEU 96 HD23 LEU 96 -5.068 7.754 8.007 361 H LEU 97 HN LEU 97 -1.982 8.045 3.365 362 HA LEU 97 HA LEU 97 -3.490 10.238 2.325 363 HB2 LEU 97 HB2 LEU 97 -1.183 8.776 1.044 364 HB3 LEU 97 HB1 LEU 97 -1.737 10.400 0.674 365 HG LEU 97 HG LEU 97 -0.482 9.514 3.268 366 HD11 LEU 97 HD11 LEU 97 1.388 10.934 2.579 367 HD12 LEU 97 HD12 LEU 97 0.593 11.218 1.031 368 HD13 LEU 97 HD13 LEU 97 1.129 9.595 1.464 369 HD21 LEU 97 HD21 LEU 97 -0.491 11.887 3.843 370 HD22 LEU 97 HD22 LEU 97 -2.126 11.266 3.614 371 HD23 LEU 97 HD23 LEU 97 -1.370 12.244 2.357 372 H TYR 98 HN TYR 98 -3.270 6.860 1.673 373 HA TYR 98 HA TYR 98 -4.481 7.030 -0.950 374 HB2 TYR 98 HB2 TYR 98 -2.918 5.229 -0.599 375 HB3 TYR 98 HB1 TYR 98 -3.786 4.685 0.831 376 HD1 TYR 98 HD2 TYR 98 -3.966 4.923 -2.858 377 HD2 TYR 98 HD1 TYR 98 -5.633 3.210 0.660 378 HE1 TYR 98 HE2 TYR 98 -5.300 3.393 -4.244 379 HE2 TYR 98 HE1 TYR 98 -6.974 1.678 -0.716 380 HH TYR 98 HH TYR 98 -6.470 1.318 -4.106 381 H GLN 99 HN GLN 99 -5.398 5.757 2.242 382 HA GLN 99 HA GLN 99 -8.048 5.130 1.571 383 HB2 GLN 99 HB2 GLN 99 -6.880 5.854 4.258 384 HB3 GLN 99 HB1 GLN 99 -8.461 5.123 4.012 385 HG2 GLN 99 HG2 GLN 99 -7.377 3.179 2.963 386 HG3 GLN 99 HG1 GLN 99 -5.806 3.905 3.286 387 HE21 GLN 99 HE21 GLN 99 -6.664 4.959 5.871 388 HE22 GLN 99 HE22 GLN 99 -6.710 3.605 6.943 389 H GLN 100 HN GLN 100 -6.628 8.210 2.588 390 HA GLN 100 HA GLN 100 -9.086 9.508 3.123 391 HB2 GLN 100 HB2 GLN 100 -6.408 10.606 2.278 392 HB3 GLN 100 HB1 GLN 100 -7.790 11.636 2.627 393 HG2 GLN 100 HG2 GLN 100 -6.485 9.722 4.548 394 HG3 GLN 100 HG1 GLN 100 -6.274 11.470 4.524 395 HE21 GLN 100 HE21 GLN 100 -9.065 11.994 3.916 396 HE22 GLN 100 HE22 GLN 100 -9.950 11.678 5.369 397 H GLN 101 HN GLN 101 -7.662 8.508 0.182 398 HA GLN 101 HA GLN 101 -9.219 10.367 -1.433 399 HB2 GLN 101 HB2 GLN 101 -7.376 8.112 -2.245 400 HB3 GLN 101 HB1 GLN 101 -8.155 9.232 -3.355 401 HG2 GLN 101 HG2 GLN 101 -6.949 11.087 -2.335 402 HG3 GLN 101 HG1 GLN 101 -6.167 9.967 -1.220 403 HE21 GLN 101 HE21 GLN 101 -5.903 7.898 -3.291 404 HE22 GLN 101 HE22 GLN 101 -4.611 8.422 -4.311 405 H GLN 102 HN GLN 102 -9.709 7.474 0.119 406 HA GLN 102 HA GLN 102 -11.387 6.270 -1.917 407 HB2 GLN 102 HB2 GLN 102 -10.511 5.422 0.835 408 HB3 GLN 102 HB1 GLN 102 -11.768 4.556 -0.038 409 HG2 GLN 102 HG2 GLN 102 -8.977 5.019 -1.061 410 HG3 GLN 102 HG1 GLN 102 -9.535 3.541 -0.278 411 HE21 GLN 102 HE21 GLN 102 -8.512 4.003 -2.991 412 HE22 GLN 102 HE22 GLN 102 -9.742 3.436 -4.060 413 HA PRO 103 HA PRO 103 -15.106 8.227 -0.539 414 HB2 PRO 103 HB2 PRO 103 -16.857 6.417 -1.617 415 HB3 PRO 103 HB1 PRO 103 -16.052 7.680 -2.555 416 HG2 PRO 103 HG2 PRO 103 -15.350 4.786 -2.279 417 HG3 PRO 103 HG1 PRO 103 -15.326 5.812 -3.724 418 HD2 PRO 103 HD2 PRO 103 -13.085 5.183 -2.369 419 HD3 PRO 103 HD1 PRO 103 -13.290 6.750 -3.176 420 H MET 104 HN MET 104 -15.407 8.114 1.566 421 HA MET 104 HA MET 104 -16.524 5.653 2.702 422 HB2 MET 104 HB2 MET 104 -14.115 5.676 3.194 423 HB3 MET 104 HB1 MET 104 -14.272 7.275 3.906 424 HG2 MET 104 HG2 MET 104 -14.144 5.590 5.630 425 HG3 MET 104 HG1 MET 104 -15.725 6.365 5.643 426 HE1 MET 104 HE1 MET 104 -14.437 3.624 3.111 427 HE2 MET 104 HE2 MET 104 -14.948 2.146 3.928 428 HE3 MET 104 HE3 MET 104 -13.695 3.159 4.641 429 H ASN 105 HN ASN 105 -15.660 9.023 3.415 430 HA ASN 105 HA ASN 105 -16.713 10.691 4.527 431 HB2 ASN 105 HB2 ASN 105 -18.217 10.384 2.542 432 HB3 ASN 105 HB1 ASN 105 -19.252 9.375 3.544 433 HD21 ASN 105 HD21 ASN 105 -20.552 10.318 5.080 434 HD22 ASN 105 HD22 ASN 105 -20.798 12.031 5.195 435 H GLU 106 HN GLU 106 -15.918 9.603 6.467 436 HA GLU 106 HA GLU 106 -18.159 9.017 8.271 437 HB2 GLU 106 HB2 GLU 106 -17.082 6.885 7.765 438 HB3 GLU 106 HB1 GLU 106 -15.507 7.559 8.148 439 HG2 GLU 106 HG2 GLU 106 -16.192 6.199 9.970 440 HG3 GLU 106 HG1 GLU 106 -16.276 7.880 10.486 Start of MODEL 9 1 H1 GLY 49 HT1 GLY 49 19.078 -4.072 -6.381 2 H2 GLY 49 HT2 GLY 49 19.000 -4.151 -8.070 3 H3 GLY 49 HT3 GLY 49 18.729 -2.678 -7.283 4 HA2 GLY 49 HA1 GLY 49 21.288 -4.172 -7.446 5 HA3 GLY 49 HA2 GLY 49 20.918 -2.631 -8.211 6 H LEU 50 HN LEU 50 20.116 -0.926 -6.594 7 HA LEU 50 HA LEU 50 21.811 -0.990 -4.209 8 HB2 LEU 50 HB2 LEU 50 20.281 1.201 -5.603 9 HB3 LEU 50 HB1 LEU 50 20.884 1.412 -3.972 10 HG LEU 50 HG LEU 50 22.432 2.440 -5.469 11 HD11 LEU 50 HD11 LEU 50 23.499 -0.203 -4.503 12 HD12 LEU 50 HD12 LEU 50 23.445 1.310 -3.601 13 HD13 LEU 50 HD13 LEU 50 24.487 1.166 -5.014 14 HD21 LEU 50 HD21 LEU 50 22.593 -0.193 -6.930 15 HD22 LEU 50 HD22 LEU 50 23.546 1.249 -7.275 16 HD23 LEU 50 HD23 LEU 50 21.801 1.268 -7.519 17 H GLU 51 HN GLU 51 20.797 -2.252 -2.739 18 HA GLU 51 HA GLU 51 17.944 -2.335 -2.505 19 HB2 GLU 51 HB2 GLU 51 19.968 -3.485 -0.583 20 HB3 GLU 51 HB1 GLU 51 18.298 -3.992 -0.809 21 HG2 GLU 51 HG2 GLU 51 20.596 -4.346 -2.712 22 HG3 GLU 51 HG1 GLU 51 19.713 -5.602 -1.849 23 H TYR 52 HN TYR 52 18.366 0.166 -2.232 24 HA TYR 52 HA TYR 52 17.989 0.753 0.623 25 HB2 TYR 52 HB2 TYR 52 19.526 2.368 -1.410 26 HB3 TYR 52 HB1 TYR 52 19.063 2.963 0.178 27 HD1 TYR 52 HD1 TYR 52 21.292 0.694 -1.655 28 HD2 TYR 52 HD2 TYR 52 20.184 2.163 2.183 29 HE1 TYR 52 HE1 TYR 52 23.343 -0.267 -0.699 30 HE2 TYR 52 HE2 TYR 52 22.232 1.208 3.143 31 HH TYR 52 HH TYR 52 24.816 0.146 1.301 32 H ALA 53 HN ALA 53 15.759 0.785 0.380 33 HA ALA 53 HA ALA 53 14.727 2.842 -1.416 34 HB1 ALA 53 HB1 ALA 53 14.760 0.691 -2.604 35 HB2 ALA 53 HB2 ALA 53 13.134 1.352 -2.401 36 HB3 ALA 53 HB3 ALA 53 13.683 0.027 -1.373 37 H VAL 54 HN VAL 54 12.706 3.629 -0.914 38 HA VAL 54 HA VAL 54 11.689 2.929 1.753 39 HB VAL 54 HB VAL 54 11.921 5.757 0.692 40 HG11 VAL 54 HG11 VAL 54 11.346 6.404 2.986 41 HG12 VAL 54 HG12 VAL 54 11.166 4.703 3.416 42 HG13 VAL 54 HG13 VAL 54 10.074 5.435 2.239 43 HG21 VAL 54 HG21 VAL 54 14.145 4.901 1.136 44 HG22 VAL 54 HG22 VAL 54 13.640 4.354 2.736 45 HG23 VAL 54 HG23 VAL 54 13.694 6.079 2.368 46 H ALA 55 HN ALA 55 9.483 2.909 1.911 47 HA ALA 55 HA ALA 55 7.969 2.752 -0.463 48 HB1 ALA 55 HB1 ALA 55 7.062 2.996 2.403 49 HB2 ALA 55 HB2 ALA 55 7.388 1.496 1.534 50 HB3 ALA 55 HB3 ALA 55 6.044 2.527 1.043 51 H GLU 56 HN GLU 56 7.463 4.401 -1.690 52 HA GLU 56 HA GLU 56 7.410 7.119 -0.827 53 HB2 GLU 56 HB2 GLU 56 6.458 5.788 -3.372 54 HB3 GLU 56 HB1 GLU 56 6.533 7.528 -3.137 55 HG2 GLU 56 HG2 GLU 56 8.966 5.825 -2.791 56 HG3 GLU 56 HG1 GLU 56 8.444 6.365 -4.387 57 H SER 57 HN SER 57 4.879 4.947 -2.042 58 HA SER 57 HA SER 57 2.890 5.853 -0.226 59 HB2 SER 57 HB2 SER 57 2.747 6.853 -3.076 60 HB3 SER 57 HB1 SER 57 1.367 6.828 -1.988 61 HG SER 57 HG SER 57 3.617 8.042 -0.957 62 H VAL 58 HN VAL 58 0.703 4.977 -0.900 63 HA VAL 58 HA VAL 58 1.041 2.407 -2.287 64 HB VAL 58 HB VAL 58 -1.156 3.350 -0.434 65 HG11 VAL 58 HG11 VAL 58 -1.981 1.065 -0.516 66 HG12 VAL 58 HG12 VAL 58 -0.716 0.635 -1.667 67 HG13 VAL 58 HG13 VAL 58 -1.975 1.783 -2.126 68 HG21 VAL 58 HG21 VAL 58 0.932 2.953 0.740 69 HG22 VAL 58 HG22 VAL 58 1.065 1.357 0.002 70 HG23 VAL 58 HG23 VAL 58 -0.244 1.701 1.132 71 H ILE 59 HN ILE 59 -0.004 2.038 -4.202 72 HA ILE 59 HA ILE 59 -1.959 4.092 -5.035 73 HB ILE 59 HB ILE 59 -1.156 4.177 -7.239 74 HG12 ILE 59 HG12 ILE 59 -0.775 1.781 -7.620 75 HG13 ILE 59 HG11 ILE 59 0.599 2.734 -8.160 76 HG21 ILE 59 HG21 ILE 59 1.228 4.071 -5.404 77 HG22 ILE 59 HG22 ILE 59 0.203 5.467 -5.736 78 HG23 ILE 59 HG23 ILE 59 1.218 4.796 -7.011 79 HD11 ILE 59 HD11 ILE 59 1.448 0.812 -7.099 80 HD12 ILE 59 HD12 ILE 59 0.386 1.024 -5.705 81 HD13 ILE 59 HD13 ILE 59 1.705 2.155 -5.988 82 H GLY 60 HN GLY 60 -1.501 0.862 -4.404 83 HA2 GLY 60 HA2 GLY 60 -3.854 0.178 -6.040 84 HA3 GLY 60 HA1 GLY 60 -2.454 -0.888 -6.006 85 H LYS 61 HN LYS 61 -5.262 -1.327 -5.167 86 HA LYS 61 HA LYS 61 -4.701 -2.288 -2.449 87 HB2 LYS 61 HB2 LYS 61 -5.916 -0.111 -2.304 88 HB3 LYS 61 HB1 LYS 61 -7.224 -0.817 -3.240 89 HG2 LYS 61 HG2 LYS 61 -7.387 -2.564 -1.396 90 HG3 LYS 61 HG1 LYS 61 -6.351 -1.489 -0.451 91 HD2 LYS 61 HD2 LYS 61 -8.529 -0.877 0.161 92 HD3 LYS 61 HD1 LYS 61 -8.057 0.340 -1.030 93 HE2 LYS 61 HE2 LYS 61 -9.161 -1.103 -2.768 94 HE3 LYS 61 HE1 LYS 61 -9.805 -2.068 -1.442 95 HZ1 LYS 61 HZ1 LYS 61 -10.743 0.138 -0.600 96 HZ2 LYS 61 HZ2 LYS 61 -11.494 -0.582 -1.939 97 HZ3 LYS 61 HZ3 LYS 61 -10.441 0.724 -2.165 98 H ARG 62 HN ARG 62 -5.210 -4.397 -2.327 99 HA ARG 62 HA ARG 62 -7.472 -5.327 -3.977 100 HB2 ARG 62 HB2 ARG 62 -5.047 -6.922 -3.124 101 HB3 ARG 62 HB1 ARG 62 -6.460 -7.589 -3.929 102 HG2 ARG 62 HG2 ARG 62 -4.438 -5.676 -5.042 103 HG3 ARG 62 HG1 ARG 62 -4.811 -7.315 -5.580 104 HD2 ARG 62 HD2 ARG 62 -6.527 -4.859 -5.820 105 HD3 ARG 62 HD1 ARG 62 -5.802 -5.795 -7.126 106 HE ARG 62 HE ARG 62 -7.409 -7.585 -5.839 107 HH11 ARG 62 HH11 ARG 62 -7.876 -4.430 -7.274 108 HH12 ARG 62 HH12 ARG 62 -9.553 -4.713 -7.659 109 HH21 ARG 62 HH21 ARG 62 -9.600 -7.959 -6.310 110 HH22 ARG 62 HH22 ARG 62 -10.541 -6.724 -7.095 111 H VAL 63 HN VAL 63 -9.160 -5.493 -2.707 112 HA VAL 63 HA VAL 63 -8.859 -6.573 0.003 113 HB VAL 63 HB VAL 63 -11.348 -5.557 -1.395 114 HG11 VAL 63 HG11 VAL 63 -10.860 -6.196 1.514 115 HG12 VAL 63 HG12 VAL 63 -11.829 -7.154 0.394 116 HG13 VAL 63 HG13 VAL 63 -12.346 -5.527 0.836 117 HG21 VAL 63 HG21 VAL 63 -11.104 -3.554 -0.019 118 HG22 VAL 63 HG22 VAL 63 -9.712 -3.778 -1.078 119 HG23 VAL 63 HG23 VAL 63 -9.591 -4.183 0.633 120 H GLY 64 HN GLY 64 -9.172 -8.710 0.374 121 HA2 GLY 64 HA2 GLY 64 -10.143 -10.372 -1.795 122 HA3 GLY 64 HA1 GLY 64 -9.578 -10.927 -0.227 123 H ASP 65 HN ASP 65 -12.197 -10.864 -2.131 124 HA ASP 65 HA ASP 65 -14.201 -10.075 -0.216 125 HB2 ASP 65 HB2 ASP 65 -14.362 -11.382 -2.931 126 HB3 ASP 65 HB1 ASP 65 -15.786 -11.048 -1.953 127 H ASP 66 HN ASP 66 -12.474 -12.919 -0.925 128 HA ASP 66 HA ASP 66 -14.439 -14.732 0.185 129 HB2 ASP 66 HB2 ASP 66 -11.558 -15.160 -0.630 130 HB3 ASP 66 HB1 ASP 66 -12.629 -16.434 -0.066 131 H GLY 67 HN GLY 67 -12.826 -12.440 1.638 132 HA2 GLY 67 HA2 GLY 67 -12.559 -12.246 3.982 133 HA3 GLY 67 HA1 GLY 67 -12.409 -13.998 4.084 134 H LYS 68 HN LYS 68 -10.665 -12.262 1.661 135 HA LYS 68 HA LYS 68 -8.163 -13.144 2.819 136 HB2 LYS 68 HB2 LYS 68 -8.737 -13.367 0.377 137 HB3 LYS 68 HB1 LYS 68 -8.632 -11.616 0.260 138 HG2 LYS 68 HG2 LYS 68 -6.269 -11.875 1.186 139 HG3 LYS 68 HG1 LYS 68 -6.451 -13.590 0.807 140 HD2 LYS 68 HD2 LYS 68 -7.022 -12.939 -1.527 141 HD3 LYS 68 HD1 LYS 68 -6.636 -11.271 -1.103 142 HE2 LYS 68 HE2 LYS 68 -4.367 -12.135 -0.373 143 HE3 LYS 68 HE1 LYS 68 -4.793 -13.648 -1.169 144 HZ1 LYS 68 HZ1 LYS 68 -5.246 -12.125 -3.189 145 HZ2 LYS 68 HZ2 LYS 68 -3.647 -12.518 -2.792 146 HZ3 LYS 68 HZ3 LYS 68 -4.271 -11.002 -2.358 147 H THR 69 HN THR 69 -6.481 -11.803 3.389 148 HA THR 69 HA THR 69 -7.011 -9.357 4.609 149 HB THR 69 HB THR 69 -4.331 -10.241 3.523 150 HG1 THR 69 HG1 THR 69 -4.212 -11.671 5.099 151 HG21 THR 69 HG21 THR 69 -3.425 -8.966 5.390 152 HG22 THR 69 HG22 THR 69 -5.056 -8.551 5.917 153 HG23 THR 69 HG23 THR 69 -4.444 -7.940 4.379 154 H ILE 70 HN ILE 70 -6.783 -7.237 3.965 155 HA ILE 70 HA ILE 70 -6.875 -6.655 1.165 156 HB ILE 70 HB ILE 70 -6.575 -4.735 3.486 157 HG12 ILE 70 HG12 ILE 70 -9.046 -5.687 2.019 158 HG13 ILE 70 HG11 ILE 70 -8.621 -6.062 3.685 159 HG21 ILE 70 HG21 ILE 70 -7.435 -3.054 1.905 160 HG22 ILE 70 HG22 ILE 70 -7.404 -4.262 0.620 161 HG23 ILE 70 HG23 ILE 70 -5.897 -3.739 1.373 162 HD11 ILE 70 HD11 ILE 70 -8.825 -3.683 4.253 163 HD12 ILE 70 HD12 ILE 70 -10.325 -4.348 3.602 164 HD13 ILE 70 HD13 ILE 70 -9.292 -3.341 2.585 165 H GLU 71 HN GLU 71 -5.189 -6.487 -0.109 166 HA GLU 71 HA GLU 71 -2.543 -6.014 1.071 167 HB2 GLU 71 HB2 GLU 71 -3.316 -7.162 -1.618 168 HB3 GLU 71 HB1 GLU 71 -1.668 -6.962 -1.029 169 HG2 GLU 71 HG2 GLU 71 -1.950 -8.571 0.643 170 HG3 GLU 71 HG1 GLU 71 -3.699 -8.552 0.471 171 H TYR 72 HN TYR 72 -1.058 -4.674 -0.084 172 HA TYR 72 HA TYR 72 -2.363 -2.549 -1.641 173 HB2 TYR 72 HB2 TYR 72 -0.685 -2.249 0.829 174 HB3 TYR 72 HB1 TYR 72 -0.776 -0.956 -0.362 175 HD1 TYR 72 HD1 TYR 72 -3.361 -0.585 -1.165 176 HD2 TYR 72 HD2 TYR 72 -2.059 -1.958 2.645 177 HE1 TYR 72 HE1 TYR 72 -5.469 0.219 -0.157 178 HE2 TYR 72 HE2 TYR 72 -4.149 -1.158 3.663 179 HH TYR 72 HH TYR 72 -5.898 0.538 3.177 180 H LEU 73 HN LEU 73 -1.276 -1.802 -3.318 181 HA LEU 73 HA LEU 73 1.340 -2.902 -3.930 182 HB2 LEU 73 HB2 LEU 73 -0.703 -2.333 -5.542 183 HB3 LEU 73 HB1 LEU 73 0.067 -0.760 -5.573 184 HG LEU 73 HG LEU 73 1.298 -3.378 -6.460 185 HD11 LEU 73 HD11 LEU 73 -0.322 -2.446 -8.022 186 HD12 LEU 73 HD12 LEU 73 1.320 -2.353 -8.663 187 HD13 LEU 73 HD13 LEU 73 0.544 -0.910 -8.008 188 HD21 LEU 73 HD21 LEU 73 3.220 -2.058 -7.179 189 HD22 LEU 73 HD22 LEU 73 3.007 -2.010 -5.427 190 HD23 LEU 73 HD23 LEU 73 2.524 -0.631 -6.415 191 H VAL 74 HN VAL 74 2.970 -2.020 -2.899 192 HA VAL 74 HA VAL 74 2.891 0.812 -2.177 193 HB VAL 74 HB VAL 74 4.946 -1.266 -1.404 194 HG11 VAL 74 HG11 VAL 74 5.519 0.315 0.374 195 HG12 VAL 74 HG12 VAL 74 4.330 1.454 -0.258 196 HG13 VAL 74 HG13 VAL 74 5.741 1.025 -1.225 197 HG21 VAL 74 HG21 VAL 74 2.782 -1.948 -0.557 198 HG22 VAL 74 HG22 VAL 74 2.515 -0.340 0.118 199 HG23 VAL 74 HG23 VAL 74 3.795 -1.367 0.766 200 H LYS 75 HN LYS 75 3.961 2.282 -3.317 201 HA LYS 75 HA LYS 75 5.871 1.469 -5.346 202 HB2 LYS 75 HB2 LYS 75 4.658 4.104 -4.549 203 HB3 LYS 75 HB1 LYS 75 6.046 4.040 -5.626 204 HG2 LYS 75 HG2 LYS 75 3.353 2.806 -6.096 205 HG3 LYS 75 HG1 LYS 75 4.010 4.234 -6.892 206 HD2 LYS 75 HD2 LYS 75 5.943 2.629 -7.568 207 HD3 LYS 75 HD1 LYS 75 4.770 1.358 -7.218 208 HE2 LYS 75 HE2 LYS 75 4.679 1.896 -9.563 209 HE3 LYS 75 HE1 LYS 75 3.193 2.451 -8.787 210 HZ1 LYS 75 HZ1 LYS 75 4.039 4.684 -8.756 211 HZ2 LYS 75 HZ2 LYS 75 4.160 4.088 -10.338 212 HZ3 LYS 75 HZ3 LYS 75 5.541 4.179 -9.357 213 H TRP 76 HN TRP 76 7.887 1.020 -4.688 214 HA TRP 76 HA TRP 76 9.018 2.601 -2.525 215 HB2 TRP 76 HB2 TRP 76 10.184 0.217 -3.977 216 HB3 TRP 76 HB1 TRP 76 10.891 1.017 -2.582 217 HD1 TRP 76 HD1 TRP 76 7.724 -1.022 -3.490 218 HE1 TRP 76 HE1 TRP 76 6.899 -2.205 -1.367 219 HE3 TRP 76 HE3 TRP 76 11.017 0.969 -0.144 220 HZ2 TRP 76 HZ2 TRP 76 7.560 -2.278 1.379 221 HZ3 TRP 76 HZ3 TRP 76 10.857 0.292 2.214 222 HH2 TRP 76 HH2 TRP 76 9.158 -1.299 2.957 223 H THR 77 HN THR 77 11.137 3.574 -2.812 224 HA THR 77 HA THR 77 10.691 5.345 -5.019 225 HB THR 77 HB THR 77 10.998 6.187 -2.751 226 HG1 THR 77 HG1 THR 77 12.433 7.871 -3.324 227 HG21 THR 77 HG21 THR 77 13.212 6.214 -1.717 228 HG22 THR 77 HG22 THR 77 13.844 5.233 -3.042 229 HG23 THR 77 HG23 THR 77 12.628 4.567 -1.949 230 H ASP 78 HN ASP 78 12.915 2.712 -4.707 231 HA ASP 78 HA ASP 78 15.194 4.204 -5.616 232 HB2 ASP 78 HB2 ASP 78 15.502 2.190 -4.260 233 HB3 ASP 78 HB1 ASP 78 14.824 1.207 -5.557 234 H MET 79 HN MET 79 13.540 1.465 -7.353 235 HA MET 79 HA MET 79 13.263 3.343 -9.571 236 HB2 MET 79 HB2 MET 79 15.418 2.215 -9.976 237 HB3 MET 79 HB1 MET 79 14.593 0.662 -9.970 238 HG2 MET 79 HG2 MET 79 15.029 1.392 -12.236 239 HG3 MET 79 HG1 MET 79 13.296 1.341 -11.925 240 HE1 MET 79 HE1 MET 79 13.746 4.338 -14.446 241 HE2 MET 79 HE2 MET 79 12.980 2.773 -14.171 242 HE3 MET 79 HE3 MET 79 14.725 2.873 -14.394 243 H SER 80 HN SER 80 12.988 -0.177 -9.282 244 HA SER 80 HA SER 80 10.205 0.019 -10.236 245 HB2 SER 80 HB2 SER 80 11.831 -0.924 -11.885 246 HB3 SER 80 HB1 SER 80 12.160 -2.234 -10.753 247 HG SER 80 HG SER 80 9.819 -2.638 -10.862 248 H ASP 81 HN ASP 81 11.555 -0.268 -7.483 249 HA ASP 81 HA ASP 81 11.205 -2.971 -6.684 250 HB2 ASP 81 HB2 ASP 81 11.501 -1.518 -4.348 251 HB3 ASP 81 HB1 ASP 81 12.792 -2.243 -5.297 252 H ALA 82 HN ALA 82 8.715 -1.398 -7.483 253 HA ALA 82 HA ALA 82 7.067 -1.157 -5.188 254 HB1 ALA 82 HB1 ALA 82 5.188 -1.150 -6.765 255 HB2 ALA 82 HB2 ALA 82 6.277 -1.658 -8.058 256 HB3 ALA 82 HB3 ALA 82 6.488 -0.079 -7.299 257 H THR 83 HN THR 83 5.800 -2.603 -4.141 258 HA THR 83 HA THR 83 5.577 -5.330 -5.176 259 HB THR 83 HB THR 83 6.054 -6.102 -2.753 260 HG1 THR 83 HG1 THR 83 7.532 -4.731 -1.649 261 HG21 THR 83 HG21 THR 83 8.453 -6.320 -3.215 262 HG22 THR 83 HG22 THR 83 8.313 -5.128 -4.507 263 HG23 THR 83 HG23 THR 83 7.482 -6.679 -4.642 264 H TRP 84 HN TRP 84 3.760 -6.424 -4.530 265 HA TRP 84 HA TRP 84 1.702 -4.961 -3.139 266 HB2 TRP 84 HB2 TRP 84 1.855 -7.747 -4.291 267 HB3 TRP 84 HB1 TRP 84 0.482 -7.221 -3.322 268 HD1 TRP 84 HD1 TRP 84 2.031 -6.842 -6.767 269 HE1 TRP 84 HE1 TRP 84 0.394 -5.549 -8.286 270 HE3 TRP 84 HE3 TRP 84 -1.374 -5.401 -3.238 271 HZ2 TRP 84 HZ2 TRP 84 -2.011 -4.110 -8.009 272 HZ3 TRP 84 HZ3 TRP 84 -3.317 -4.069 -3.947 273 HH2 TRP 84 HH2 TRP 84 -3.629 -3.438 -6.286 274 H GLU 85 HN GLU 85 1.936 -4.677 -1.049 275 HA GLU 85 HA GLU 85 2.944 -6.905 0.595 276 HB2 GLU 85 HB2 GLU 85 3.157 -3.915 0.925 277 HB3 GLU 85 HB1 GLU 85 3.476 -5.030 2.247 278 HG2 GLU 85 HG2 GLU 85 4.921 -5.025 -0.386 279 HG3 GLU 85 HG1 GLU 85 5.513 -4.273 1.096 280 HA PRO 86 HA PRO 86 -0.906 -6.685 2.842 281 HB2 PRO 86 HB2 PRO 86 -0.207 -8.013 5.060 282 HB3 PRO 86 HB1 PRO 86 -0.288 -8.833 3.496 283 HG2 PRO 86 HG2 PRO 86 2.096 -7.855 5.003 284 HG3 PRO 86 HG1 PRO 86 1.899 -9.340 4.057 285 HD2 PRO 86 HD2 PRO 86 3.143 -7.019 3.163 286 HD3 PRO 86 HD1 PRO 86 2.496 -8.303 2.120 287 H GLN 87 HN GLN 87 -1.882 -5.575 4.555 288 HA GLN 87 HA GLN 87 -0.858 -3.090 5.203 289 HB2 GLN 87 HB2 GLN 87 -2.943 -4.655 6.730 290 HB3 GLN 87 HB1 GLN 87 -2.681 -2.922 6.844 291 HG2 GLN 87 HG2 GLN 87 -3.289 -2.685 4.484 292 HG3 GLN 87 HG1 GLN 87 -3.575 -4.422 4.392 293 HE21 GLN 87 HE21 GLN 87 -5.426 -2.222 3.931 294 HE22 GLN 87 HE22 GLN 87 -6.727 -2.444 5.046 295 H ASP 88 HN ASP 88 -0.231 -6.095 6.755 296 HA ASP 88 HA ASP 88 0.567 -5.200 9.307 297 HB2 ASP 88 HB2 ASP 88 0.176 -7.564 8.820 298 HB3 ASP 88 HB1 ASP 88 1.511 -7.573 7.675 299 H ASN 89 HN ASN 89 2.158 -5.318 6.208 300 HA ASN 89 HA ASN 89 4.666 -4.377 7.405 301 HB2 ASN 89 HB2 ASN 89 4.892 -6.341 5.989 302 HB3 ASN 89 HB1 ASN 89 4.086 -5.516 4.661 303 HD21 ASN 89 HD21 ASN 89 5.228 -4.143 3.386 304 HD22 ASN 89 HD22 ASN 89 6.930 -3.909 3.520 305 H VAL 90 HN VAL 90 2.076 -3.462 5.270 306 HA VAL 90 HA VAL 90 3.416 -1.270 4.029 307 HB VAL 90 HB VAL 90 0.416 -1.599 4.317 308 HG11 VAL 90 HG11 VAL 90 0.361 -0.309 2.244 309 HG12 VAL 90 HG12 VAL 90 2.120 -0.161 2.286 310 HG13 VAL 90 HG13 VAL 90 1.137 0.587 3.547 311 HG21 VAL 90 HG21 VAL 90 2.260 -2.703 2.201 312 HG22 VAL 90 HG22 VAL 90 0.499 -2.722 2.133 313 HG23 VAL 90 HG23 VAL 90 1.345 -3.639 3.381 314 H ASP 91 HN ASP 91 3.901 0.623 4.871 315 HA ASP 91 HA ASP 91 3.224 1.467 7.455 316 HB2 ASP 91 HB2 ASP 91 5.176 2.329 6.266 317 HB3 ASP 91 HB1 ASP 91 4.133 3.106 5.078 318 H SER 92 HN SER 92 1.442 2.323 8.268 319 HA SER 92 HA SER 92 -0.879 2.532 6.660 320 HB2 SER 92 HB2 SER 92 -0.941 1.739 8.991 321 HB3 SER 92 HB1 SER 92 -0.464 3.343 9.544 322 HG SER 92 HG SER 92 -2.824 2.798 8.041 323 H THR 93 HN THR 93 1.456 4.845 7.754 324 HA THR 93 HA THR 93 -0.137 7.177 7.529 325 HB THR 93 HB THR 93 2.843 6.985 7.068 326 HG1 THR 93 HG1 THR 93 3.100 6.786 9.183 327 HG21 THR 93 HG21 THR 93 1.842 9.157 6.516 328 HG22 THR 93 HG22 THR 93 2.867 9.273 7.945 329 HG23 THR 93 HG23 THR 93 1.114 9.232 8.121 330 H LEU 94 HN LEU 94 1.955 5.426 5.302 331 HA LEU 94 HA LEU 94 1.502 7.151 3.075 332 HB2 LEU 94 HB2 LEU 94 2.371 4.266 3.120 333 HB3 LEU 94 HB1 LEU 94 2.545 5.380 1.769 334 HG LEU 94 HG LEU 94 3.873 5.793 4.447 335 HD11 LEU 94 HD11 LEU 94 4.669 3.727 3.446 336 HD12 LEU 94 HD12 LEU 94 5.909 4.981 3.389 337 HD13 LEU 94 HD13 LEU 94 4.997 4.575 1.933 338 HD21 LEU 94 HD21 LEU 94 4.340 7.025 1.732 339 HD22 LEU 94 HD22 LEU 94 5.263 7.367 3.198 340 HD23 LEU 94 HD23 LEU 94 3.559 7.809 3.105 341 H VAL 95 HN VAL 95 0.039 4.176 4.277 342 HA VAL 95 HA VAL 95 -1.724 3.686 2.162 343 HB VAL 95 HB VAL 95 -2.089 3.142 5.114 344 HG11 VAL 95 HG11 VAL 95 -3.654 2.088 2.764 345 HG12 VAL 95 HG12 VAL 95 -4.266 3.156 4.026 346 HG13 VAL 95 HG13 VAL 95 -3.782 1.506 4.423 347 HG21 VAL 95 HG21 VAL 95 -1.445 0.892 4.501 348 HG22 VAL 95 HG22 VAL 95 -0.194 2.051 4.046 349 HG23 VAL 95 HG23 VAL 95 -1.280 1.396 2.819 350 H LEU 96 HN LEU 96 -1.939 5.883 4.892 351 HA LEU 96 HA LEU 96 -4.576 6.725 4.595 352 HB2 LEU 96 HB2 LEU 96 -2.115 8.199 5.512 353 HB3 LEU 96 HB1 LEU 96 -3.721 8.900 5.580 354 HG LEU 96 HG LEU 96 -2.839 6.405 7.036 355 HD11 LEU 96 HD11 LEU 96 -3.061 7.790 9.046 356 HD12 LEU 96 HD12 LEU 96 -3.388 9.198 8.036 357 HD13 LEU 96 HD13 LEU 96 -1.815 8.404 7.959 358 HD21 LEU 96 HD21 LEU 96 -5.436 7.936 7.129 359 HD22 LEU 96 HD22 LEU 96 -5.007 6.570 8.159 360 HD23 LEU 96 HD23 LEU 96 -5.196 6.340 6.420 361 H LEU 97 HN LEU 97 -1.689 7.540 2.775 362 HA LEU 97 HA LEU 97 -2.735 9.825 1.458 363 HB2 LEU 97 HB2 LEU 97 -0.635 7.918 0.417 364 HB3 LEU 97 HB1 LEU 97 -0.867 9.592 -0.056 365 HG LEU 97 HG LEU 97 0.046 8.635 2.657 366 HD11 LEU 97 HD11 LEU 97 1.748 8.368 0.943 367 HD12 LEU 97 HD12 LEU 97 2.170 9.670 2.053 368 HD13 LEU 97 HD13 LEU 97 1.535 10.049 0.453 369 HD21 LEU 97 HD21 LEU 97 0.389 10.992 3.159 370 HD22 LEU 97 HD22 LEU 97 -1.307 10.663 2.798 371 HD23 LEU 97 HD23 LEU 97 -0.281 11.432 1.587 372 H TYR 98 HN TYR 98 -3.043 6.415 1.015 373 HA TYR 98 HA TYR 98 -4.325 6.689 -1.583 374 HB2 TYR 98 HB2 TYR 98 -2.862 4.737 -1.132 375 HB3 TYR 98 HB1 TYR 98 -3.949 4.237 0.156 376 HD1 TYR 98 HD1 TYR 98 -3.677 4.708 -3.504 377 HD2 TYR 98 HD2 TYR 98 -5.913 2.993 -0.316 378 HE1 TYR 98 HE1 TYR 98 -4.989 3.412 -5.130 379 HE2 TYR 98 HE2 TYR 98 -7.230 1.694 -1.934 380 HH TYR 98 HH TYR 98 -6.341 1.346 -5.182 381 H GLN 99 HN GLN 99 -5.206 5.369 1.622 382 HA GLN 99 HA GLN 99 -7.896 4.965 1.121 383 HB2 GLN 99 HB2 GLN 99 -6.531 5.658 3.707 384 HB3 GLN 99 HB1 GLN 99 -8.221 5.189 3.603 385 HG2 GLN 99 HG2 GLN 99 -7.423 3.080 2.470 386 HG3 GLN 99 HG1 GLN 99 -5.797 3.549 2.963 387 HE21 GLN 99 HE21 GLN 99 -8.924 2.481 4.037 388 HE22 GLN 99 HE22 GLN 99 -8.450 2.047 5.650 389 H GLN 100 HN GLN 100 -6.357 8.022 2.027 390 HA GLN 100 HA GLN 100 -8.769 9.318 2.755 391 HB2 GLN 100 HB2 GLN 100 -6.074 10.380 1.955 392 HB3 GLN 100 HB1 GLN 100 -7.416 11.446 2.341 393 HG2 GLN 100 HG2 GLN 100 -6.173 9.407 4.172 394 HG3 GLN 100 HG1 GLN 100 -5.983 11.158 4.260 395 HE21 GLN 100 HE21 GLN 100 -7.682 12.414 4.987 396 HE22 GLN 100 HE22 GLN 100 -9.035 11.747 5.843 397 H GLN 101 HN GLN 101 -7.390 8.600 -0.316 398 HA GLN 101 HA GLN 101 -9.389 10.353 -1.577 399 HB2 GLN 101 HB2 GLN 101 -8.032 10.150 -3.647 400 HB3 GLN 101 HB1 GLN 101 -7.180 10.929 -2.329 401 HG2 GLN 101 HG2 GLN 101 -5.538 9.560 -3.099 402 HG3 GLN 101 HG1 GLN 101 -6.277 8.495 -1.906 403 HE21 GLN 101 HE21 GLN 101 -7.767 9.267 -4.961 404 HE22 GLN 101 HE22 GLN 101 -7.595 7.697 -5.670 405 H GLN 102 HN GLN 102 -9.000 7.281 -0.609 406 HA GLN 102 HA GLN 102 -10.163 6.006 -2.946 407 HB2 GLN 102 HB2 GLN 102 -8.311 4.834 -2.024 408 HB3 GLN 102 HB1 GLN 102 -8.912 5.030 -0.385 409 HG2 GLN 102 HG2 GLN 102 -9.194 2.771 -1.077 410 HG3 GLN 102 HG1 GLN 102 -10.764 3.543 -0.906 411 HE21 GLN 102 HE21 GLN 102 -8.743 4.199 -3.643 412 HE22 GLN 102 HE22 GLN 102 -9.693 3.354 -4.813 413 HA PRO 103 HA PRO 103 -14.182 6.543 -1.039 414 HB2 PRO 103 HB2 PRO 103 -15.528 4.935 -2.804 415 HB3 PRO 103 HB1 PRO 103 -15.108 6.622 -3.127 416 HG2 PRO 103 HG2 PRO 103 -13.724 4.121 -4.007 417 HG3 PRO 103 HG1 PRO 103 -14.054 5.603 -4.924 418 HD2 PRO 103 HD2 PRO 103 -11.630 5.084 -3.880 419 HD3 PRO 103 HD1 PRO 103 -12.277 6.736 -3.971 420 H MET 104 HN MET 104 -14.477 5.533 0.816 421 HA MET 104 HA MET 104 -14.108 2.690 1.139 422 HB2 MET 104 HB2 MET 104 -13.562 4.331 2.935 423 HB3 MET 104 HB1 MET 104 -15.269 4.735 3.051 424 HG2 MET 104 HG2 MET 104 -15.728 2.376 3.672 425 HG3 MET 104 HG1 MET 104 -13.989 2.088 3.691 426 HE1 MET 104 HE1 MET 104 -12.317 3.232 5.412 427 HE2 MET 104 HE2 MET 104 -12.814 4.441 6.598 428 HE3 MET 104 HE3 MET 104 -12.880 4.814 4.875 429 H ASN 105 HN ASN 105 -15.707 2.247 -0.611 430 HA ASN 105 HA ASN 105 -18.485 2.675 0.248 431 HB2 ASN 105 HB2 ASN 105 -17.834 3.726 -1.900 432 HB3 ASN 105 HB1 ASN 105 -17.458 2.128 -2.544 433 HD21 ASN 105 HD21 ASN 105 -20.129 2.776 -0.390 434 HD22 ASN 105 HD22 ASN 105 -21.387 2.495 -1.542 435 H GLU 106 HN GLU 106 -18.472 0.818 1.595 436 HA GLU 106 HA GLU 106 -19.651 -1.358 0.176 437 HB2 GLU 106 HB2 GLU 106 -17.162 -1.913 0.161 438 HB3 GLU 106 HB1 GLU 106 -17.284 -2.067 1.910 439 HG2 GLU 106 HG2 GLU 106 -18.965 -3.812 1.645 440 HG3 GLU 106 HG1 GLU 106 -18.838 -3.669 -0.106
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