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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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640056 |
6oq9 ![]() ![]() |
30603 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -2.957 -18.550 10.302 2 H2 GLY 1 HT2 GLY 1 -3.857 -17.124 10.408 3 H3 GLY 1 HT3 GLY 1 -3.908 -18.254 11.667 4 HA2 GLY 1 HA1 GLY 1 -1.581 -17.866 12.139 5 HA3 GLY 1 HA2 GLY 1 -1.547 -16.680 10.843 6 H SER 2 HN SER 2 -2.329 -17.300 14.113 7 HA SER 2 HA SER 2 -4.030 -15.076 14.567 8 HB2 SER 2 HB2 SER 2 -2.314 -16.560 16.563 9 HB3 SER 2 HB1 SER 2 -3.717 -15.558 16.922 10 HG SER 2 HG SER 2 -4.185 -17.567 15.086 11 H VAL 3 HN VAL 3 -0.588 -15.435 14.345 12 HA VAL 3 HA VAL 3 -0.086 -12.886 15.646 13 HB VAL 3 HB VAL 3 1.521 -14.730 15.985 14 HG11 VAL 3 HG11 VAL 3 1.333 -15.844 13.847 15 HG12 VAL 3 HG12 VAL 3 3.016 -15.438 14.181 16 HG13 VAL 3 HG13 VAL 3 2.085 -14.469 13.039 17 HG21 VAL 3 HG21 VAL 3 2.329 -12.450 16.205 18 HG22 VAL 3 HG22 VAL 3 2.684 -12.386 14.480 19 HG23 VAL 3 HG23 VAL 3 3.590 -13.477 15.525 20 H GLU 4 HN GLU 4 -0.416 -14.211 12.508 21 HA GLU 4 HA GLU 4 0.751 -12.217 10.910 22 HB2 GLU 4 HB2 GLU 4 -1.703 -13.851 10.198 23 HB3 GLU 4 HB1 GLU 4 -0.657 -12.988 9.082 24 HG2 GLU 4 HG2 GLU 4 0.097 -15.350 10.783 25 HG3 GLU 4 HG1 GLU 4 -0.204 -15.357 9.046 26 H LYS 5 HN LYS 5 -2.797 -12.446 11.618 27 HA LYS 5 HA LYS 5 -4.307 -10.818 11.962 28 HB2 LYS 5 HB2 LYS 5 -1.932 -9.057 12.625 29 HB3 LYS 5 HB1 LYS 5 -3.611 -8.755 13.052 30 HG2 LYS 5 HG2 LYS 5 -3.585 -10.747 14.487 31 HG3 LYS 5 HG1 LYS 5 -1.890 -11.011 14.068 32 HD2 LYS 5 HD2 LYS 5 -1.425 -8.708 14.974 33 HD3 LYS 5 HD1 LYS 5 -3.082 -8.694 15.581 34 HE2 LYS 5 HE2 LYS 5 -0.904 -10.644 16.315 35 HE3 LYS 5 HE1 LYS 5 -1.567 -9.375 17.340 36 HZ1 LYS 5 HZ1 LYS 5 -3.738 -10.539 17.182 37 HZ2 LYS 5 HZ2 LYS 5 -2.542 -11.440 17.951 38 HZ3 LYS 5 HZ3 LYS 5 -2.970 -11.804 16.361 39 H LEU 6 HN LEU 6 -3.750 -11.364 9.400 40 HA LEU 6 HA LEU 6 -4.176 -10.593 7.375 41 HB2 LEU 6 HB2 LEU 6 -3.833 -7.827 8.514 42 HB3 LEU 6 HB1 LEU 6 -4.191 -8.151 6.831 43 HG LEU 6 HG LEU 6 -5.955 -8.724 9.207 44 HD11 LEU 6 HD11 LEU 6 -7.468 -7.151 8.125 45 HD12 LEU 6 HD12 LEU 6 -6.298 -6.905 6.830 46 HD13 LEU 6 HD13 LEU 6 -5.912 -6.398 8.474 47 HD21 LEU 6 HD21 LEU 6 -6.211 -10.559 7.680 48 HD22 LEU 6 HD22 LEU 6 -6.311 -9.461 6.305 49 HD23 LEU 6 HD23 LEU 6 -7.602 -9.491 7.505 50 H THR 7 HN THR 7 -1.365 -8.997 8.960 51 HA THR 7 HA THR 7 0.136 -9.927 6.795 52 HB THR 7 HB THR 7 -0.584 -7.983 5.694 53 HG1 THR 7 HG1 THR 7 1.349 -7.400 5.081 54 HG21 THR 7 HG21 THR 7 -0.268 -5.702 6.611 55 HG22 THR 7 HG22 THR 7 0.241 -6.412 8.143 56 HG23 THR 7 HG23 THR 7 -1.404 -6.661 7.559 57 H ALA 8 HN ALA 8 1.630 -10.908 8.350 58 HA ALA 8 HA ALA 8 2.886 -9.241 10.370 59 HB1 ALA 8 HB1 ALA 8 2.565 -11.629 10.859 60 HB2 ALA 8 HB2 ALA 8 4.275 -11.216 10.859 61 HB3 ALA 8 HB3 ALA 8 3.580 -12.060 9.481 62 H ASP 9 HN ASP 9 3.229 -10.024 7.174 63 HA ASP 9 HA ASP 9 5.990 -9.749 6.677 64 HB2 ASP 9 HB2 ASP 9 4.424 -10.707 5.021 65 HB3 ASP 9 HB1 ASP 9 3.663 -9.135 4.825 66 H ALA 10 HN ALA 10 3.325 -7.426 6.577 67 HA ALA 10 HA ALA 10 4.762 -5.150 5.851 68 HB1 ALA 10 HB1 ALA 10 2.318 -5.181 5.875 69 HB2 ALA 10 HB2 ALA 10 2.941 -3.839 6.830 70 HB3 ALA 10 HB3 ALA 10 2.328 -5.274 7.639 71 H GLU 11 HN GLU 11 4.590 -6.744 8.969 72 HA GLU 11 HA GLU 11 5.541 -4.428 10.398 73 HB2 GLU 11 HB2 GLU 11 4.059 -6.126 11.477 74 HB3 GLU 11 HB1 GLU 11 5.363 -7.302 11.346 75 HG2 GLU 11 HG2 GLU 11 6.735 -6.015 12.826 76 HG3 GLU 11 HG1 GLU 11 5.543 -4.721 12.868 77 H LEU 12 HN LEU 12 6.804 -7.461 9.263 78 HA LEU 12 HA LEU 12 9.455 -7.041 10.217 79 HB2 LEU 12 HB2 LEU 12 10.192 -8.869 8.763 80 HB3 LEU 12 HB1 LEU 12 8.756 -9.306 9.649 81 HG LEU 12 HG LEU 12 7.502 -8.701 7.432 82 HD11 LEU 12 HD11 LEU 12 9.377 -7.668 6.301 83 HD12 LEU 12 HD12 LEU 12 8.774 -9.072 5.423 84 HD13 LEU 12 HD13 LEU 12 10.266 -9.193 6.360 85 HD21 LEU 12 HD21 LEU 12 7.841 -10.981 6.611 86 HD22 LEU 12 HD22 LEU 12 7.615 -10.930 8.358 87 HD23 LEU 12 HD23 LEU 12 9.230 -11.154 7.685 88 H GLN 13 HN GLN 13 7.750 -5.975 7.425 89 HA GLN 13 HA GLN 13 10.002 -5.056 5.927 90 HB2 GLN 13 HB2 GLN 13 7.831 -5.368 4.828 91 HB3 GLN 13 HB1 GLN 13 7.117 -4.120 5.842 92 HG2 GLN 13 HG2 GLN 13 8.615 -2.465 4.836 93 HG3 GLN 13 HG1 GLN 13 9.281 -3.722 3.794 94 HE21 GLN 13 HE21 GLN 13 6.524 -1.740 4.488 95 HE22 GLN 13 HE22 GLN 13 5.689 -2.033 3.003 96 H ARG 14 HN ARG 14 7.737 -3.470 8.132 97 HA ARG 14 HA ARG 14 8.906 -0.905 8.037 98 HB2 ARG 14 HB2 ARG 14 6.633 -1.437 9.034 99 HB3 ARG 14 HB1 ARG 14 7.461 -2.122 10.423 100 HG2 ARG 14 HG2 ARG 14 7.894 0.731 9.583 101 HG3 ARG 14 HG1 ARG 14 6.534 0.257 10.599 102 HD2 ARG 14 HD2 ARG 14 9.464 -0.145 11.216 103 HD3 ARG 14 HD1 ARG 14 8.394 1.042 11.959 104 HE ARG 14 HE ARG 14 7.242 -1.453 12.350 105 HH11 ARG 14 HH11 ARG 14 10.139 0.272 13.361 106 HH12 ARG 14 HH12 ARG 14 10.318 -0.643 14.819 107 HH21 ARG 14 HH21 ARG 14 7.477 -2.648 14.279 108 HH22 ARG 14 HH22 ARG 14 8.792 -2.310 15.350 109 H LEU 15 HN LEU 15 9.486 -3.682 10.137 110 HA LEU 15 HA LEU 15 11.403 -2.485 11.807 111 HB2 LEU 15 HB2 LEU 15 10.251 -4.599 12.309 112 HB3 LEU 15 HB1 LEU 15 11.106 -5.377 10.995 113 HG LEU 15 HG LEU 15 13.231 -5.047 12.189 114 HD11 LEU 15 HD11 LEU 15 13.201 -4.320 14.531 115 HD12 LEU 15 HD12 LEU 15 11.487 -3.933 14.383 116 HD13 LEU 15 HD13 LEU 15 12.678 -3.038 13.440 117 HD21 LEU 15 HD21 LEU 15 11.104 -6.388 13.851 118 HD22 LEU 15 HD22 LEU 15 12.838 -6.701 13.920 119 HD23 LEU 15 HD23 LEU 15 11.927 -7.106 12.468 120 H LYS 16 HN LYS 16 11.683 -4.183 8.734 121 HA LYS 16 HA LYS 16 14.484 -4.294 8.564 122 HB2 LYS 16 HB2 LYS 16 13.054 -5.571 7.039 123 HB3 LYS 16 HB1 LYS 16 12.446 -4.081 6.328 124 HG2 LYS 16 HG2 LYS 16 14.658 -3.589 5.450 125 HG3 LYS 16 HG1 LYS 16 15.283 -5.068 6.186 126 HD2 LYS 16 HD2 LYS 16 13.824 -6.416 4.815 127 HD3 LYS 16 HD1 LYS 16 13.060 -4.972 4.152 128 HE2 LYS 16 HE2 LYS 16 15.160 -4.314 3.120 129 HE3 LYS 16 HE1 LYS 16 15.964 -5.710 3.831 130 HZ1 LYS 16 HZ1 LYS 16 14.604 -7.163 2.522 131 HZ2 LYS 16 HZ2 LYS 16 15.338 -6.044 1.492 132 HZ3 LYS 16 HZ3 LYS 16 13.712 -5.869 1.903 133 H ASN 17 HN ASN 17 12.218 -1.756 7.668 134 HA ASN 17 HA ASN 17 14.292 -0.077 6.556 135 HB2 ASN 17 HB2 ASN 17 11.376 0.457 7.143 136 HB3 ASN 17 HB1 ASN 17 12.473 1.718 6.601 137 HD21 ASN 17 HD21 ASN 17 10.139 0.632 5.295 138 HD22 ASN 17 HD22 ASN 17 10.672 0.032 3.764 139 H GLU 18 HN GLU 18 12.686 -0.463 9.597 140 HA GLU 18 HA GLU 18 13.495 1.867 10.905 141 HB2 GLU 18 HB2 GLU 18 11.914 0.020 11.710 142 HB3 GLU 18 HB1 GLU 18 13.353 -0.867 12.180 143 HG2 GLU 18 HG2 GLU 18 12.524 0.217 14.106 144 HG3 GLU 18 HG1 GLU 18 13.979 1.085 13.608 145 H ARG 19 HN ARG 19 15.087 -1.253 10.457 146 HA ARG 19 HA ARG 19 17.385 -0.618 11.989 147 HB2 ARG 19 HB2 ARG 19 16.680 -2.964 11.371 148 HB3 ARG 19 HB1 ARG 19 17.261 -2.642 9.741 149 HG2 ARG 19 HG2 ARG 19 18.932 -3.858 10.940 150 HG3 ARG 19 HG1 ARG 19 19.508 -2.209 10.685 151 HD2 ARG 19 HD2 ARG 19 18.757 -1.638 12.976 152 HD3 ARG 19 HD1 ARG 19 18.301 -3.324 13.215 153 HE ARG 19 HE ARG 19 21.064 -2.734 12.484 154 HH11 ARG 19 HH11 ARG 19 18.761 -3.642 14.968 155 HH12 ARG 19 HH12 ARG 19 19.963 -4.228 16.060 156 HH21 ARG 19 HH21 ARG 19 22.670 -3.498 13.939 157 HH22 ARG 19 HH22 ARG 19 22.202 -4.146 15.472 158 H HIS 20 HN HIS 20 16.568 -0.219 8.589 159 HA HIS 20 HA HIS 20 19.059 0.542 7.578 160 HB2 HIS 20 HB2 HIS 20 16.288 1.496 6.801 161 HB3 HIS 20 HB1 HIS 20 17.736 1.980 5.937 162 HD1 HIS 20 HD1 HIS 20 15.194 0.090 4.998 163 HD2 HIS 20 HD2 HIS 20 19.133 -1.017 5.749 164 HE1 HIS 20 HE1 HIS 20 15.550 -2.033 3.721 165 H GLU 21 HN GLU 21 16.638 2.450 9.265 166 HA GLU 21 HA GLU 21 17.959 4.954 9.058 167 HB2 GLU 21 HB2 GLU 21 15.913 3.949 11.048 168 HB3 GLU 21 HB1 GLU 21 16.477 5.607 10.968 169 HG2 GLU 21 HG2 GLU 21 15.258 4.250 8.598 170 HG3 GLU 21 HG1 GLU 21 14.281 5.052 9.824 171 H GLU 22 HN GLU 22 18.304 2.243 11.196 172 HA GLU 22 HA GLU 22 19.688 3.761 13.237 173 HB2 GLU 22 HB2 GLU 22 18.224 1.788 13.780 174 HB3 GLU 22 HB1 GLU 22 19.419 0.756 13.005 175 HG2 GLU 22 HG2 GLU 22 19.705 0.705 15.388 176 HG3 GLU 22 HG1 GLU 22 21.090 1.491 14.637 177 H ALA 23 HN ALA 23 20.472 1.790 10.439 178 HA ALA 23 HA ALA 23 23.217 1.427 11.247 179 HB1 ALA 23 HB1 ALA 23 22.062 -0.315 9.923 180 HB2 ALA 23 HB2 ALA 23 23.487 0.314 9.103 181 HB3 ALA 23 HB3 ALA 23 21.888 0.832 8.590 182 H GLU 24 HN GLU 24 21.276 3.601 9.458 183 HA GLU 24 HA GLU 24 23.381 4.848 7.981 184 HB2 GLU 24 HB2 GLU 24 21.040 5.106 7.254 185 HB3 GLU 24 HB1 GLU 24 20.648 5.945 8.748 186 HG2 GLU 24 HG2 GLU 24 20.879 7.536 6.987 187 HG3 GLU 24 HG1 GLU 24 22.216 7.733 8.117 188 H LEU 25 HN LEU 25 21.670 5.595 10.982 189 HA LEU 25 HA LEU 25 23.153 7.857 11.686 190 HB2 LEU 25 HB2 LEU 25 21.788 5.828 13.451 191 HB3 LEU 25 HB1 LEU 25 22.410 7.368 14.010 192 HG LEU 25 HG LEU 25 20.199 7.012 11.983 193 HD11 LEU 25 HD11 LEU 25 19.506 6.349 14.218 194 HD12 LEU 25 HD12 LEU 25 18.734 7.859 13.738 195 HD13 LEU 25 HD13 LEU 25 20.090 7.882 14.865 196 HD21 LEU 25 HD21 LEU 25 21.456 9.047 11.578 197 HD22 LEU 25 HD22 LEU 25 21.325 9.495 13.279 198 HD23 LEU 25 HD23 LEU 25 19.881 9.438 12.269 199 H GLU 26 HN GLU 26 23.764 4.472 12.187 200 HA GLU 26 HA GLU 26 26.046 4.601 13.814 201 HB2 GLU 26 HB2 GLU 26 25.388 2.654 11.608 202 HB3 GLU 26 HB1 GLU 26 26.821 2.492 12.605 203 HG2 GLU 26 HG2 GLU 26 25.223 2.499 14.591 204 HG3 GLU 26 HG1 GLU 26 23.945 2.250 13.402 205 H ARG 27 HN ARG 27 25.781 4.814 10.326 206 HA ARG 27 HA ARG 27 28.590 5.228 9.894 207 HB2 ARG 27 HB2 ARG 27 27.235 4.199 8.143 208 HB3 ARG 27 HB1 ARG 27 26.226 5.636 8.039 209 HG2 ARG 27 HG2 ARG 27 28.059 6.919 7.180 210 HG3 ARG 27 HG1 ARG 27 29.159 5.559 7.405 211 HD2 ARG 27 HD2 ARG 27 28.480 5.740 5.089 212 HD3 ARG 27 HD1 ARG 27 27.870 4.248 5.798 213 HE ARG 27 HE ARG 27 25.792 5.979 6.091 214 HH11 ARG 27 HH11 ARG 27 27.775 5.049 3.350 215 HH12 ARG 27 HH12 ARG 27 26.499 5.242 2.199 216 HH21 ARG 27 HH21 ARG 27 24.107 6.247 4.574 217 HH22 ARG 27 HH22 ARG 27 24.403 5.922 2.892 218 H LEU 28 HN LEU 28 25.779 7.257 10.221 219 HA LEU 28 HA LEU 28 26.889 9.692 9.327 220 HB2 LEU 28 HB2 LEU 28 24.457 9.359 9.699 221 HB3 LEU 28 HB1 LEU 28 24.743 9.308 11.429 222 HG LEU 28 HG LEU 28 25.551 11.647 11.327 223 HD11 LEU 28 HD11 LEU 28 25.093 12.969 9.320 224 HD12 LEU 28 HD12 LEU 28 24.617 11.501 8.465 225 HD13 LEU 28 HD13 LEU 28 26.282 11.704 9.012 226 HD21 LEU 28 HD21 LEU 28 22.778 11.165 10.241 227 HD22 LEU 28 HD22 LEU 28 23.337 12.653 11.006 228 HD23 LEU 28 HD23 LEU 28 23.248 11.161 11.942 229 H LYS 29 HN LYS 29 26.760 8.233 12.554 230 HA LYS 29 HA LYS 29 28.084 10.390 13.844 231 HB2 LYS 29 HB2 LYS 29 27.749 7.513 14.719 232 HB3 LYS 29 HB1 LYS 29 28.414 8.791 15.722 233 HG2 LYS 29 HG2 LYS 29 26.247 10.018 15.450 234 HG3 LYS 29 HG1 LYS 29 25.608 8.575 14.662 235 HD2 LYS 29 HD2 LYS 29 26.748 8.677 17.458 236 HD3 LYS 29 HD1 LYS 29 25.032 8.679 17.065 237 HE2 LYS 29 HE2 LYS 29 26.983 6.485 16.371 238 HE3 LYS 29 HE1 LYS 29 25.856 6.448 17.723 239 HZ1 LYS 29 HZ1 LYS 29 24.987 5.219 15.854 240 HZ2 LYS 29 HZ2 LYS 29 25.131 6.568 14.846 241 HZ3 LYS 29 HZ3 LYS 29 24.029 6.584 16.125 242 H SER 30 HN SER 30 29.203 7.873 11.838 243 HA SER 30 HA SER 30 31.855 7.760 12.968 244 HB2 SER 30 HB2 SER 30 30.867 5.766 11.830 245 HB3 SER 30 HB1 SER 30 30.823 6.670 10.317 246 HG SER 30 HG SER 30 32.891 6.362 10.067 247 H GLU 31 HN GLU 31 30.262 9.137 10.135 248 HA GLU 31 HA GLU 31 32.589 10.361 9.050 249 HB2 GLU 31 HB2 GLU 31 29.652 10.911 8.624 250 HB3 GLU 31 HB1 GLU 31 30.941 11.650 7.687 251 HG2 GLU 31 HG2 GLU 31 30.412 8.693 7.849 252 HG3 GLU 31 HG1 GLU 31 29.860 9.752 6.552 253 H ARG 32 HN ARG 32 29.790 11.636 10.803 254 HA ARG 32 HA ARG 32 30.684 14.306 10.917 255 HB2 ARG 32 HB2 ARG 32 28.663 12.867 12.633 256 HB3 ARG 32 HB1 ARG 32 28.908 14.605 12.627 257 HG2 ARG 32 HG2 ARG 32 28.011 12.952 10.268 258 HG3 ARG 32 HG1 ARG 32 26.971 13.951 11.286 259 HD2 ARG 32 HD2 ARG 32 27.369 15.631 9.873 260 HD3 ARG 32 HD1 ARG 32 29.020 15.655 10.481 261 HE ARG 32 HE ARG 32 28.761 13.707 8.446 262 HH11 ARG 32 HH11 ARG 32 28.914 17.196 8.906 263 HH12 ARG 32 HH12 ARG 32 29.533 17.493 7.315 264 HH21 ARG 32 HH21 ARG 32 29.610 14.109 6.352 265 HH22 ARG 32 HH22 ARG 32 29.930 15.734 5.855 266 H HIS 33 HN HIS 33 31.585 11.577 12.740 267 HA HIS 33 HA HIS 33 32.164 12.510 15.266 268 HB2 HIS 33 HB2 HIS 33 32.457 10.159 14.279 269 HB3 HIS 33 HB1 HIS 33 34.048 10.704 13.766 270 HD1 HIS 33 HD1 HIS 33 32.376 9.091 16.486 271 HD2 HIS 33 HD2 HIS 33 35.648 11.629 16.135 272 HE1 HIS 33 HE1 HIS 33 33.663 8.817 18.616 273 H ASP 34 HN ASP 34 34.001 13.053 12.307 274 HA ASP 34 HA ASP 34 36.150 14.401 13.783 275 HB2 ASP 34 HB2 ASP 34 36.626 12.898 11.797 276 HB3 ASP 34 HB1 ASP 34 35.890 14.131 10.779 277 H HIS 35 HN HIS 35 33.234 15.189 12.654 278 HA HIS 35 HA HIS 35 33.970 17.872 11.715 279 HB2 HIS 35 HB2 HIS 35 31.329 16.416 11.539 280 HB3 HIS 35 HB1 HIS 35 31.573 18.081 11.027 281 HD2 HIS 35 HD2 HIS 35 33.625 18.254 8.889 282 HE1 HIS 35 HE1 HIS 35 32.684 14.360 7.510 283 HE2 HIS 35 HE2 HIS 35 34.084 16.415 7.143 284 H ASP 36 HN ASP 36 32.984 16.286 14.493 285 HA ASP 36 HA ASP 36 31.254 18.234 15.624 286 HB2 ASP 36 HB2 ASP 36 31.401 17.029 17.671 287 HB3 ASP 36 HB1 ASP 36 31.473 15.818 16.404 288 H LYS 37 HN LYS 37 34.679 17.894 15.456 289 HA LYS 37 HA LYS 37 35.335 19.842 17.450 290 HB2 LYS 37 HB2 LYS 37 36.912 18.058 16.553 291 HB3 LYS 37 HB1 LYS 37 37.049 19.021 15.088 292 HG2 LYS 37 HG2 LYS 37 37.956 20.872 16.424 293 HG3 LYS 37 HG1 LYS 37 37.863 19.851 17.861 294 HD2 LYS 37 HD2 LYS 37 39.352 18.216 16.741 295 HD3 LYS 37 HD1 LYS 37 39.506 19.336 15.384 296 HE2 LYS 37 HE2 LYS 37 40.408 21.029 16.949 297 HE3 LYS 37 HE1 LYS 37 40.342 19.829 18.237 298 HZ1 LYS 37 HZ1 LYS 37 41.948 19.616 15.753 299 HZ2 LYS 37 HZ2 LYS 37 41.884 18.455 16.981 300 HZ3 LYS 37 HZ3 LYS 37 42.547 19.979 17.292 301 H LYS 38 HN LYS 38 34.130 20.015 14.306 302 HA LYS 38 HA LYS 38 35.075 22.753 13.887 303 HB2 LYS 38 HB2 LYS 38 33.666 20.850 12.003 304 HB3 LYS 38 HB1 LYS 38 34.194 22.475 11.592 305 HG2 LYS 38 HG2 LYS 38 36.496 21.864 11.916 306 HG3 LYS 38 HG1 LYS 38 36.030 20.257 12.473 307 HD2 LYS 38 HD2 LYS 38 35.078 19.775 10.276 308 HD3 LYS 38 HD1 LYS 38 35.514 21.394 9.726 309 HE2 LYS 38 HE2 LYS 38 37.470 19.299 10.675 310 HE3 LYS 38 HE1 LYS 38 37.108 19.647 8.987 311 HZ1 LYS 38 HZ1 LYS 38 38.296 21.545 10.939 312 HZ2 LYS 38 HZ2 LYS 38 37.915 21.902 9.330 313 HZ3 LYS 38 HZ3 LYS 38 39.114 20.767 9.678 314 H GLU 39 HN GLU 39 32.106 20.822 14.045 315 HA GLU 39 HA GLU 39 30.649 23.092 15.055 316 HB2 GLU 39 HB2 GLU 39 30.470 23.482 12.648 317 HB3 GLU 39 HB1 GLU 39 29.920 21.834 12.399 318 HG2 GLU 39 HG2 GLU 39 28.079 23.412 12.260 319 HG3 GLU 39 HG1 GLU 39 27.872 22.315 13.622 320 H ALA 40 HN ALA 40 28.621 22.500 15.934 321 HA ALA 40 HA ALA 40 28.546 19.809 16.970 322 HB1 ALA 40 HB1 ALA 40 27.926 21.724 18.370 323 HB2 ALA 40 HB2 ALA 40 26.623 20.551 18.244 324 HB3 ALA 40 HB3 ALA 40 26.541 22.047 17.322 325 H GLU 41 HN GLU 41 28.297 18.840 14.663 326 HA GLU 41 HA GLU 41 26.318 19.193 12.861 327 HB2 GLU 41 HB2 GLU 41 27.357 16.501 13.727 328 HB3 GLU 41 HB1 GLU 41 26.696 16.922 12.155 329 HG2 GLU 41 HG2 GLU 41 29.220 18.062 13.330 330 HG3 GLU 41 HG1 GLU 41 29.147 16.748 12.161 331 H ARG 42 HN ARG 42 25.973 17.358 15.900 332 HA ARG 42 HA ARG 42 23.211 17.448 15.805 333 HB2 ARG 42 HB2 ARG 42 23.734 15.549 14.194 334 HB3 ARG 42 HB1 ARG 42 24.498 14.716 15.540 335 HG2 ARG 42 HG2 ARG 42 22.376 14.723 16.748 336 HG3 ARG 42 HG1 ARG 42 21.611 15.545 15.389 337 HD2 ARG 42 HD2 ARG 42 22.276 13.589 13.961 338 HD3 ARG 42 HD1 ARG 42 22.789 12.772 15.439 339 HE ARG 42 HE ARG 42 20.041 13.770 15.192 340 HH11 ARG 42 HH11 ARG 42 22.233 11.040 15.532 341 HH12 ARG 42 HH12 ARG 42 20.977 9.919 15.908 342 HH21 ARG 42 HH21 ARG 42 18.378 12.272 15.680 343 HH22 ARG 42 HH22 ARG 42 18.775 10.618 15.984 344 H LYS 43 HN LYS 43 22.504 16.868 17.742 345 HA LYS 43 HA LYS 43 23.955 17.373 19.995 346 HB2 LYS 43 HB2 LYS 43 21.445 15.742 19.739 347 HB3 LYS 43 HB1 LYS 43 22.165 16.115 21.300 348 HG2 LYS 43 HG2 LYS 43 21.991 18.520 20.773 349 HG3 LYS 43 HG1 LYS 43 21.181 18.106 19.264 350 HD2 LYS 43 HD2 LYS 43 20.173 17.280 21.982 351 HD3 LYS 43 HD1 LYS 43 19.662 18.754 21.162 352 HE2 LYS 43 HE2 LYS 43 19.346 15.947 20.099 353 HE3 LYS 43 HE1 LYS 43 18.071 16.911 20.839 354 HZ1 LYS 43 HZ1 LYS 43 18.340 18.537 19.053 355 HZ2 LYS 43 HZ2 LYS 43 17.935 17.013 18.447 356 HZ3 LYS 43 HZ3 LYS 43 19.523 17.569 18.333 357 H ALA 44 HN ALA 44 23.475 14.153 18.605 358 HA ALA 44 HA ALA 44 24.735 12.619 20.575 359 HB1 ALA 44 HB1 ALA 44 24.888 12.154 17.585 360 HB2 ALA 44 HB2 ALA 44 23.598 11.590 18.652 361 HB3 ALA 44 HB3 ALA 44 25.232 10.965 18.836 362 H LEU 45 HN LEU 45 26.090 14.709 18.245 363 HA LEU 45 HA LEU 45 28.857 13.901 18.833 364 HB2 LEU 45 HB2 LEU 45 27.761 15.920 16.862 365 HB3 LEU 45 HB1 LEU 45 29.470 15.702 17.158 366 HG LEU 45 HG LEU 45 28.984 14.556 15.153 367 HD11 LEU 45 HD11 LEU 45 29.093 12.491 17.336 368 HD12 LEU 45 HD12 LEU 45 30.470 13.355 16.653 369 HD13 LEU 45 HD13 LEU 45 29.534 12.251 15.646 370 HD21 LEU 45 HD21 LEU 45 26.711 13.192 16.590 371 HD22 LEU 45 HD22 LEU 45 27.244 12.835 14.948 372 HD23 LEU 45 HD23 LEU 45 26.571 14.419 15.332 373 H GLU 46 HN GLU 46 26.678 16.596 19.128 374 HA GLU 46 HA GLU 46 28.387 18.502 20.292 375 HB2 GLU 46 HB2 GLU 46 26.073 18.949 19.387 376 HB3 GLU 46 HB1 GLU 46 25.430 18.199 20.843 377 HG2 GLU 46 HG2 GLU 46 26.594 19.927 22.174 378 HG3 GLU 46 HG1 GLU 46 27.055 20.714 20.665 379 H ASP 47 HN ASP 47 26.637 15.838 21.657 380 HA ASP 47 HA ASP 47 26.786 16.559 24.404 381 HB2 ASP 47 HB2 ASP 47 25.257 14.792 23.717 382 HB3 ASP 47 HB1 ASP 47 26.596 13.803 23.141 383 H LYS 48 HN LYS 48 28.804 14.471 22.451 384 HA LYS 48 HA LYS 48 30.820 13.867 24.219 385 HB2 LYS 48 HB2 LYS 48 31.112 14.532 21.289 386 HB3 LYS 48 HB1 LYS 48 32.384 13.806 22.262 387 HG2 LYS 48 HG2 LYS 48 29.672 12.599 21.748 388 HG3 LYS 48 HG1 LYS 48 31.172 12.138 20.943 389 HD2 LYS 48 HD2 LYS 48 32.121 11.496 23.129 390 HD3 LYS 48 HD1 LYS 48 30.592 11.917 23.901 391 HE2 LYS 48 HE2 LYS 48 30.714 9.529 23.558 392 HE3 LYS 48 HE1 LYS 48 29.458 10.222 22.535 393 HZ1 LYS 48 HZ1 LYS 48 30.807 8.589 21.366 394 HZ2 LYS 48 HZ2 LYS 48 32.195 9.515 21.637 395 HZ3 LYS 48 HZ3 LYS 48 30.953 10.121 20.664 396 H LEU 49 HN LEU 49 30.582 16.838 22.289 397 HA LEU 49 HA LEU 49 32.858 18.106 23.362 398 HB2 LEU 49 HB2 LEU 49 30.323 19.422 22.386 399 HB3 LEU 49 HB1 LEU 49 31.915 20.146 22.474 400 HG LEU 49 HG LEU 49 31.173 17.865 20.645 401 HD11 LEU 49 HD11 LEU 49 31.263 19.536 18.859 402 HD12 LEU 49 HD12 LEU 49 31.490 20.802 20.067 403 HD13 LEU 49 HD13 LEU 49 29.986 19.886 20.024 404 HD21 LEU 49 HD21 LEU 49 33.536 17.897 21.242 405 HD22 LEU 49 HD22 LEU 49 33.638 19.597 20.789 406 HD23 LEU 49 HD23 LEU 49 33.310 18.376 19.560 407 H ALA 50 HN ALA 50 29.460 18.471 24.095 408 HA ALA 50 HA ALA 50 29.713 20.081 26.402 409 HB1 ALA 50 HB1 ALA 50 27.442 18.227 25.695 410 HB2 ALA 50 HB2 ALA 50 27.618 19.899 25.159 411 HB3 ALA 50 HB3 ALA 50 27.379 19.539 26.869 412 H ASP 51 HN ASP 51 31.458 18.980 27.437 413 HA ASP 51 HA ASP 51 31.179 16.426 28.647 414 HB2 ASP 51 HB2 ASP 51 33.383 17.493 28.250 415 HB3 ASP 51 HB1 ASP 51 33.020 18.665 29.512 416 H TYR 52 HN TYR 52 29.496 16.122 29.881 417 HA TYR 52 HA TYR 52 29.367 17.596 32.410 418 HB2 TYR 52 HB2 TYR 52 26.981 17.117 30.612 419 HB3 TYR 52 HB1 TYR 52 26.862 17.636 32.287 420 HD1 TYR 52 HD1 TYR 52 27.035 18.704 28.938 421 HD2 TYR 52 HD2 TYR 52 28.177 19.841 32.871 422 HE1 TYR 52 HE1 TYR 52 27.217 21.040 28.203 423 HE2 TYR 52 HE2 TYR 52 28.364 22.183 32.142 424 HH TYR 52 HH TYR 52 28.740 23.428 30.023 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -2.801 -7.466 18.132 2 H2 GLY 1 HT2 GLY 1 -1.579 -6.366 18.529 3 H3 GLY 1 HT3 GLY 1 -1.309 -7.537 17.336 4 HA2 GLY 1 HA1 GLY 1 -3.232 -5.282 17.184 5 HA3 GLY 1 HA2 GLY 1 -1.708 -5.403 16.315 6 H SER 2 HN SER 2 -4.610 -5.253 15.447 7 HA SER 2 HA SER 2 -5.384 -7.725 14.375 8 HB2 SER 2 HB2 SER 2 -6.064 -4.950 13.386 9 HB3 SER 2 HB1 SER 2 -6.938 -6.431 12.996 10 HG SER 2 HG SER 2 -7.893 -6.364 14.869 11 H VAL 3 HN VAL 3 -3.866 -4.936 12.712 12 HA VAL 3 HA VAL 3 -3.506 -6.278 10.256 13 HB VAL 3 HB VAL 3 -1.773 -4.018 11.271 14 HG11 VAL 3 HG11 VAL 3 -2.608 -4.833 8.489 15 HG12 VAL 3 HG12 VAL 3 -1.011 -5.054 9.206 16 HG13 VAL 3 HG13 VAL 3 -1.621 -3.429 8.894 17 HG21 VAL 3 HG21 VAL 3 -4.100 -3.404 11.620 18 HG22 VAL 3 HG22 VAL 3 -4.486 -3.848 9.957 19 HG23 VAL 3 HG23 VAL 3 -3.419 -2.481 10.281 20 H GLU 4 HN GLU 4 -1.623 -6.029 13.110 21 HA GLU 4 HA GLU 4 0.859 -7.073 12.306 22 HB2 GLU 4 HB2 GLU 4 0.663 -6.185 14.526 23 HB3 GLU 4 HB1 GLU 4 -0.626 -7.302 14.939 24 HG2 GLU 4 HG2 GLU 4 1.087 -9.143 14.658 25 HG3 GLU 4 HG1 GLU 4 2.298 -7.860 14.624 26 H LYS 5 HN LYS 5 -2.020 -8.733 13.445 27 HA LYS 5 HA LYS 5 -0.955 -11.371 13.056 28 HB2 LYS 5 HB2 LYS 5 -2.623 -10.848 14.785 29 HB3 LYS 5 HB1 LYS 5 -3.780 -10.441 13.531 30 HG2 LYS 5 HG2 LYS 5 -3.589 -12.803 12.715 31 HG3 LYS 5 HG1 LYS 5 -2.629 -13.149 14.157 32 HD2 LYS 5 HD2 LYS 5 -4.941 -13.756 14.553 33 HD3 LYS 5 HD1 LYS 5 -4.511 -12.369 15.557 34 HE2 LYS 5 HE2 LYS 5 -5.564 -10.871 13.921 35 HE3 LYS 5 HE1 LYS 5 -5.998 -12.262 12.932 36 HZ1 LYS 5 HZ1 LYS 5 -7.337 -13.065 14.797 37 HZ2 LYS 5 HZ2 LYS 5 -7.854 -11.567 14.229 38 HZ3 LYS 5 HZ3 LYS 5 -6.971 -11.660 15.664 39 H LEU 6 HN LEU 6 -2.891 -9.155 11.207 40 HA LEU 6 HA LEU 6 -3.803 -11.145 9.329 41 HB2 LEU 6 HB2 LEU 6 -3.991 -8.136 9.210 42 HB3 LEU 6 HB1 LEU 6 -4.742 -9.232 8.073 43 HG LEU 6 HG LEU 6 -5.395 -9.039 11.015 44 HD11 LEU 6 HD11 LEU 6 -7.531 -8.133 10.249 45 HD12 LEU 6 HD12 LEU 6 -6.952 -8.175 8.585 46 HD13 LEU 6 HD13 LEU 6 -6.177 -7.112 9.760 47 HD21 LEU 6 HD21 LEU 6 -5.690 -11.311 10.207 48 HD22 LEU 6 HD22 LEU 6 -6.625 -10.723 8.832 49 HD23 LEU 6 HD23 LEU 6 -7.259 -10.551 10.468 50 H THR 7 HN THR 7 -1.137 -8.869 9.469 51 HA THR 7 HA THR 7 -0.087 -10.024 7.062 52 HB THR 7 HB THR 7 -0.387 -7.036 7.386 53 HG1 THR 7 HG1 THR 7 -1.989 -8.986 6.298 54 HG21 THR 7 HG21 THR 7 0.501 -6.941 5.117 55 HG22 THR 7 HG22 THR 7 0.616 -8.698 5.064 56 HG23 THR 7 HG23 THR 7 1.644 -7.781 6.163 57 H ALA 8 HN ALA 8 1.668 -10.846 8.406 58 HA ALA 8 HA ALA 8 3.141 -9.130 10.152 59 HB1 ALA 8 HB1 ALA 8 3.065 -11.577 10.509 60 HB2 ALA 8 HB2 ALA 8 4.711 -10.970 10.381 61 HB3 ALA 8 HB3 ALA 8 3.983 -11.810 9.017 62 H ASP 9 HN ASP 9 3.099 -9.696 6.851 63 HA ASP 9 HA ASP 9 5.760 -9.258 6.055 64 HB2 ASP 9 HB2 ASP 9 3.959 -9.992 4.475 65 HB3 ASP 9 HB1 ASP 9 3.257 -8.380 4.554 66 H ALA 10 HN ALA 10 3.089 -7.025 6.611 67 HA ALA 10 HA ALA 10 4.461 -4.649 5.997 68 HB1 ALA 10 HB1 ALA 10 2.691 -3.477 7.188 69 HB2 ALA 10 HB2 ALA 10 2.154 -4.979 7.929 70 HB3 ALA 10 HB3 ALA 10 2.009 -4.750 6.182 71 H GLU 11 HN GLU 11 4.373 -6.533 8.931 72 HA GLU 11 HA GLU 11 5.539 -4.455 10.543 73 HB2 GLU 11 HB2 GLU 11 5.208 -7.410 11.123 74 HB3 GLU 11 HB1 GLU 11 5.691 -6.186 12.288 75 HG2 GLU 11 HG2 GLU 11 3.018 -6.395 10.904 76 HG3 GLU 11 HG1 GLU 11 3.372 -6.696 12.599 77 H LEU 12 HN LEU 12 6.596 -7.317 8.881 78 HA LEU 12 HA LEU 12 9.300 -7.324 9.697 79 HB2 LEU 12 HB2 LEU 12 7.904 -8.386 7.243 80 HB3 LEU 12 HB1 LEU 12 9.643 -8.395 7.338 81 HG LEU 12 HG LEU 12 9.708 -10.040 8.974 82 HD11 LEU 12 HD11 LEU 12 7.822 -10.695 10.389 83 HD12 LEU 12 HD12 LEU 12 6.824 -9.451 9.632 84 HD13 LEU 12 HD13 LEU 12 8.223 -8.989 10.601 85 HD21 LEU 12 HD21 LEU 12 8.867 -10.940 6.888 86 HD22 LEU 12 HD22 LEU 12 7.211 -10.589 7.389 87 HD23 LEU 12 HD23 LEU 12 8.161 -11.800 8.259 88 H GLN 13 HN GLN 13 7.623 -5.647 7.098 89 HA GLN 13 HA GLN 13 9.828 -4.474 5.837 90 HB2 GLN 13 HB2 GLN 13 7.005 -3.444 6.155 91 HB3 GLN 13 HB1 GLN 13 8.216 -2.673 5.148 92 HG2 GLN 13 HG2 GLN 13 7.177 -5.474 4.804 93 HG3 GLN 13 HG1 GLN 13 6.707 -4.071 3.848 94 HE21 GLN 13 HE21 GLN 13 8.224 -3.153 2.434 95 HE22 GLN 13 HE22 GLN 13 9.588 -4.052 1.867 96 H ARG 14 HN ARG 14 7.970 -3.447 8.656 97 HA ARG 14 HA ARG 14 9.128 -0.913 8.994 98 HB2 ARG 14 HB2 ARG 14 8.160 -2.773 11.180 99 HB3 ARG 14 HB1 ARG 14 8.390 -1.040 11.319 100 HG2 ARG 14 HG2 ARG 14 6.626 -0.732 9.601 101 HG3 ARG 14 HG1 ARG 14 6.345 -2.473 9.652 102 HD2 ARG 14 HD2 ARG 14 5.959 -2.242 12.120 103 HD3 ARG 14 HD1 ARG 14 6.010 -0.493 11.896 104 HE ARG 14 HE ARG 14 3.914 -2.332 11.048 105 HH11 ARG 14 HH11 ARG 14 5.198 0.953 10.945 106 HH12 ARG 14 HH12 ARG 14 3.687 1.658 10.496 107 HH21 ARG 14 HH21 ARG 14 1.933 -1.379 10.453 108 HH22 ARG 14 HH22 ARG 14 1.826 0.328 10.193 109 H LEU 15 HN LEU 15 10.042 -4.082 10.259 110 HA LEU 15 HA LEU 15 12.230 -3.234 11.802 111 HB2 LEU 15 HB2 LEU 15 11.245 -5.416 12.118 112 HB3 LEU 15 HB1 LEU 15 11.663 -5.894 10.487 113 HG LEU 15 HG LEU 15 14.064 -5.764 11.101 114 HD11 LEU 15 HD11 LEU 15 14.674 -5.671 13.465 115 HD12 LEU 15 HD12 LEU 15 12.994 -5.334 13.886 116 HD13 LEU 15 HD13 LEU 15 13.915 -4.174 12.928 117 HD21 LEU 15 HD21 LEU 15 12.874 -7.883 11.140 118 HD22 LEU 15 HD22 LEU 15 12.363 -7.581 12.800 119 HD23 LEU 15 HD23 LEU 15 14.071 -7.814 12.432 120 H LYS 16 HN LYS 16 12.104 -4.523 8.503 121 HA LYS 16 HA LYS 16 14.844 -4.449 7.944 122 HB2 LYS 16 HB2 LYS 16 12.491 -4.132 6.074 123 HB3 LYS 16 HB1 LYS 16 14.144 -4.419 5.561 124 HG2 LYS 16 HG2 LYS 16 14.165 -6.593 6.418 125 HG3 LYS 16 HG1 LYS 16 12.746 -6.302 7.426 126 HD2 LYS 16 HD2 LYS 16 12.201 -7.687 5.479 127 HD3 LYS 16 HD1 LYS 16 11.349 -6.145 5.434 128 HE2 LYS 16 HE2 LYS 16 13.099 -5.290 3.896 129 HE3 LYS 16 HE1 LYS 16 13.819 -6.900 3.879 130 HZ1 LYS 16 HZ1 LYS 16 12.334 -6.457 1.982 131 HZ2 LYS 16 HZ2 LYS 16 11.033 -6.302 3.048 132 HZ3 LYS 16 HZ3 LYS 16 11.841 -7.786 2.906 133 H ASN 17 HN ASN 17 12.370 -1.991 7.548 134 HA ASN 17 HA ASN 17 14.114 -0.126 6.224 135 HB2 ASN 17 HB2 ASN 17 11.675 -0.046 5.846 136 HB3 ASN 17 HB1 ASN 17 11.423 0.376 7.539 137 HD21 ASN 17 HD21 ASN 17 12.451 1.484 4.433 138 HD22 ASN 17 HD22 ASN 17 12.522 3.166 4.835 139 H GLU 18 HN GLU 18 12.725 -0.318 9.485 140 HA GLU 18 HA GLU 18 13.894 2.014 10.486 141 HB2 GLU 18 HB2 GLU 18 12.012 0.796 11.534 142 HB3 GLU 18 HB1 GLU 18 13.134 -0.460 12.032 143 HG2 GLU 18 HG2 GLU 18 14.350 1.179 13.385 144 HG3 GLU 18 HG1 GLU 18 13.192 2.418 12.902 145 H ARG 19 HN ARG 19 15.087 -1.354 10.550 146 HA ARG 19 HA ARG 19 17.322 -0.792 12.163 147 HB2 ARG 19 HB2 ARG 19 18.236 -2.915 11.499 148 HB3 ARG 19 HB1 ARG 19 16.504 -3.100 11.706 149 HG2 ARG 19 HG2 ARG 19 16.215 -2.997 9.272 150 HG3 ARG 19 HG1 ARG 19 17.964 -2.840 9.087 151 HD2 ARG 19 HD2 ARG 19 18.278 -5.010 10.160 152 HD3 ARG 19 HD1 ARG 19 16.536 -5.163 10.371 153 HE ARG 19 HE ARG 19 17.262 -4.753 7.638 154 HH11 ARG 19 HH11 ARG 19 17.078 -7.192 10.159 155 HH12 ARG 19 HH12 ARG 19 16.872 -8.506 9.054 156 HH21 ARG 19 HH21 ARG 19 16.977 -6.514 6.164 157 HH22 ARG 19 HH22 ARG 19 16.808 -8.119 6.788 158 H HIS 20 HN HIS 20 16.810 -0.452 8.702 159 HA HIS 20 HA HIS 20 19.561 0.074 8.101 160 HB2 HIS 20 HB2 HIS 20 17.874 -0.595 6.347 161 HB3 HIS 20 HB1 HIS 20 17.147 1.002 6.506 162 HD1 HIS 20 HD1 HIS 20 18.157 2.846 5.109 163 HD2 HIS 20 HD2 HIS 20 20.599 -0.515 5.325 164 HE1 HIS 20 HE1 HIS 20 20.019 3.265 3.490 165 H GLU 21 HN GLU 21 16.835 1.981 9.107 166 HA GLU 21 HA GLU 21 17.993 4.549 8.655 167 HB2 GLU 21 HB2 GLU 21 15.572 4.334 8.909 168 HB3 GLU 21 HB1 GLU 21 15.771 3.720 10.548 169 HG2 GLU 21 HG2 GLU 21 16.777 5.882 11.184 170 HG3 GLU 21 HG1 GLU 21 16.431 6.475 9.563 171 H GLU 22 HN GLU 22 17.837 2.398 11.441 172 HA GLU 22 HA GLU 22 19.118 4.230 13.223 173 HB2 GLU 22 HB2 GLU 22 18.725 1.231 13.453 174 HB3 GLU 22 HB1 GLU 22 19.309 2.272 14.742 175 HG2 GLU 22 HG2 GLU 22 17.195 3.480 14.754 176 HG3 GLU 22 HG1 GLU 22 16.587 2.477 13.444 177 H ALA 23 HN ALA 23 20.161 1.835 10.957 178 HA ALA 23 HA ALA 23 22.888 1.774 11.915 179 HB1 ALA 23 HB1 ALA 23 23.326 0.319 10.018 180 HB2 ALA 23 HB2 ALA 23 21.740 0.663 9.341 181 HB3 ALA 23 HB3 ALA 23 21.880 -0.228 10.859 182 H GLU 24 HN GLU 24 20.980 3.723 10.026 183 HA GLU 24 HA GLU 24 23.009 4.669 8.191 184 HB2 GLU 24 HB2 GLU 24 20.590 4.720 7.582 185 HB3 GLU 24 HB1 GLU 24 20.317 5.915 8.841 186 HG2 GLU 24 HG2 GLU 24 21.695 7.507 7.690 187 HG3 GLU 24 HG1 GLU 24 22.132 6.302 6.479 188 H LEU 25 HN LEU 25 21.385 5.890 11.089 189 HA LEU 25 HA LEU 25 22.874 8.232 11.415 190 HB2 LEU 25 HB2 LEU 25 20.838 7.686 12.699 191 HB3 LEU 25 HB1 LEU 25 21.717 6.435 13.553 192 HG LEU 25 HG LEU 25 23.182 8.165 14.541 193 HD11 LEU 25 HD11 LEU 25 23.022 9.851 12.804 194 HD12 LEU 25 HD12 LEU 25 22.543 10.521 14.362 195 HD13 LEU 25 HD13 LEU 25 21.315 10.093 13.170 196 HD21 LEU 25 HD21 LEU 25 21.226 7.384 15.763 197 HD22 LEU 25 HD22 LEU 25 20.226 8.598 14.965 198 HD23 LEU 25 HD23 LEU 25 21.507 9.098 16.069 199 H GLU 26 HN GLU 26 23.489 4.965 12.373 200 HA GLU 26 HA GLU 26 25.857 5.349 13.866 201 HB2 GLU 26 HB2 GLU 26 24.985 2.973 12.227 202 HB3 GLU 26 HB1 GLU 26 26.458 2.975 13.186 203 HG2 GLU 26 HG2 GLU 26 23.631 3.228 14.167 204 HG3 GLU 26 HG1 GLU 26 24.773 1.919 14.470 205 H ARG 27 HN ARG 27 25.355 5.023 10.425 206 HA ARG 27 HA ARG 27 28.117 5.075 9.697 207 HB2 ARG 27 HB2 ARG 27 25.614 5.659 8.101 208 HB3 ARG 27 HB1 ARG 27 27.228 5.652 7.420 209 HG2 ARG 27 HG2 ARG 27 27.492 3.350 7.773 210 HG3 ARG 27 HG1 ARG 27 26.083 3.274 8.835 211 HD2 ARG 27 HD2 ARG 27 24.588 3.577 7.053 212 HD3 ARG 27 HD1 ARG 27 25.861 4.139 5.973 213 HE ARG 27 HE ARG 27 26.310 1.977 5.433 214 HH11 ARG 27 HH11 ARG 27 24.545 1.916 8.480 215 HH12 ARG 27 HH12 ARG 27 24.292 0.204 8.414 216 HH21 ARG 27 HH21 ARG 27 25.931 -0.244 5.362 217 HH22 ARG 27 HH22 ARG 27 25.053 -1.017 6.637 218 H LEU 28 HN LEU 28 25.672 7.468 10.283 219 HA LEU 28 HA LEU 28 27.073 9.680 9.150 220 HB2 LEU 28 HB2 LEU 28 24.643 9.768 9.541 221 HB3 LEU 28 HB1 LEU 28 24.910 9.670 11.272 222 HG LEU 28 HG LEU 28 26.093 11.855 11.164 223 HD11 LEU 28 HD11 LEU 28 25.093 11.870 8.321 224 HD12 LEU 28 HD12 LEU 28 26.778 11.820 8.837 225 HD13 LEU 28 HD13 LEU 28 25.797 13.246 9.171 226 HD21 LEU 28 HD21 LEU 28 23.759 11.728 11.828 227 HD22 LEU 28 HD22 LEU 28 23.257 11.814 10.140 228 HD23 LEU 28 HD23 LEU 28 24.057 13.193 10.893 229 H LYS 29 HN LYS 29 26.928 8.246 12.358 230 HA LYS 29 HA LYS 29 28.350 10.229 13.748 231 HB2 LYS 29 HB2 LYS 29 28.139 7.257 14.280 232 HB3 LYS 29 HB1 LYS 29 28.865 8.410 15.387 233 HG2 LYS 29 HG2 LYS 29 26.731 9.588 15.568 234 HG3 LYS 29 HG1 LYS 29 26.000 8.423 14.463 235 HD2 LYS 29 HD2 LYS 29 26.380 6.630 16.023 236 HD3 LYS 29 HD1 LYS 29 27.288 7.698 17.092 237 HE2 LYS 29 HE2 LYS 29 24.370 8.007 16.387 238 HE3 LYS 29 HE1 LYS 29 24.986 7.300 17.880 239 HZ1 LYS 29 HZ1 LYS 29 25.999 9.401 18.438 240 HZ2 LYS 29 HZ2 LYS 29 24.353 9.632 18.146 241 HZ3 LYS 29 HZ3 LYS 29 25.487 10.089 16.986 242 H SER 30 HN SER 30 29.571 7.111 12.463 243 HA SER 30 HA SER 30 32.248 7.586 12.981 244 HB2 SER 30 HB2 SER 30 32.578 5.890 11.074 245 HB3 SER 30 HB1 SER 30 31.629 5.378 12.470 246 HG SER 30 HG SER 30 30.046 5.043 11.152 247 H GLU 31 HN GLU 31 30.338 8.343 10.104 248 HA GLU 31 HA GLU 31 32.424 9.273 8.490 249 HB2 GLU 31 HB2 GLU 31 30.172 8.822 7.639 250 HB3 GLU 31 HB1 GLU 31 29.550 10.193 8.548 251 HG2 GLU 31 HG2 GLU 31 31.108 11.647 7.228 252 HG3 GLU 31 HG1 GLU 31 31.451 10.242 6.221 253 H ARG 32 HN ARG 32 30.137 11.167 10.454 254 HA ARG 32 HA ARG 32 31.149 13.673 10.005 255 HB2 ARG 32 HB2 ARG 32 29.059 13.317 11.143 256 HB3 ARG 32 HB1 ARG 32 29.878 12.575 12.506 257 HG2 ARG 32 HG2 ARG 32 30.744 14.624 13.240 258 HG3 ARG 32 HG1 ARG 32 30.400 15.417 11.704 259 HD2 ARG 32 HD2 ARG 32 28.312 14.353 13.601 260 HD3 ARG 32 HD1 ARG 32 28.815 16.040 13.500 261 HE ARG 32 HE ARG 32 28.109 15.619 10.989 262 HH11 ARG 32 HH11 ARG 32 26.443 14.654 13.926 263 HH12 ARG 32 HH12 ARG 32 24.872 14.742 13.219 264 HH21 ARG 32 HH21 ARG 32 26.030 15.725 10.041 265 HH22 ARG 32 HH22 ARG 32 24.632 15.346 10.984 266 H HIS 33 HN HIS 33 32.423 11.266 12.223 267 HA HIS 33 HA HIS 33 34.231 13.156 13.445 268 HB2 HIS 33 HB2 HIS 33 33.350 11.315 14.782 269 HB3 HIS 33 HB1 HIS 33 34.090 10.146 13.695 270 HD1 HIS 33 HD1 HIS 33 36.295 9.297 14.443 271 HD2 HIS 33 HD2 HIS 33 35.459 13.029 16.065 272 HE1 HIS 33 HE1 HIS 33 38.211 9.803 15.979 273 H ASP 34 HN ASP 34 34.599 10.363 11.261 274 HA ASP 34 HA ASP 34 37.448 10.834 11.032 275 HB2 ASP 34 HB2 ASP 34 36.544 8.529 10.994 276 HB3 ASP 34 HB1 ASP 34 35.719 8.886 9.481 277 H HIS 35 HN HIS 35 34.742 12.080 9.509 278 HA HIS 35 HA HIS 35 35.509 12.421 6.833 279 HB2 HIS 35 HB2 HIS 35 33.238 12.984 7.791 280 HB3 HIS 35 HB1 HIS 35 33.945 14.448 8.464 281 HD2 HIS 35 HD2 HIS 35 34.302 16.529 6.623 282 HE1 HIS 35 HE1 HIS 35 32.477 14.520 3.367 283 HE2 HIS 35 HE2 HIS 35 33.514 16.662 4.163 284 H ASP 36 HN ASP 36 36.735 13.918 9.658 285 HA ASP 36 HA ASP 36 37.842 16.249 8.466 286 HB2 ASP 36 HB2 ASP 36 38.556 14.807 11.032 287 HB3 ASP 36 HB1 ASP 36 39.310 16.307 10.518 288 H LYS 37 HN LYS 37 38.676 12.989 8.255 289 HA LYS 37 HA LYS 37 41.321 13.705 7.201 290 HB2 LYS 37 HB2 LYS 37 41.557 12.535 9.362 291 HB3 LYS 37 HB1 LYS 37 40.621 11.188 8.739 292 HG2 LYS 37 HG2 LYS 37 42.361 10.783 7.050 293 HG3 LYS 37 HG1 LYS 37 43.302 12.111 7.730 294 HD2 LYS 37 HD2 LYS 37 43.382 10.931 9.885 295 HD3 LYS 37 HD1 LYS 37 42.480 9.592 9.173 296 HE2 LYS 37 HE2 LYS 37 44.834 9.051 9.200 297 HE3 LYS 37 HE1 LYS 37 44.301 9.278 7.537 298 HZ1 LYS 37 HZ1 LYS 37 45.743 11.290 9.173 299 HZ2 LYS 37 HZ2 LYS 37 45.259 11.497 7.569 300 HZ3 LYS 37 HZ3 LYS 37 46.429 10.347 7.952 301 H LYS 38 HN LYS 38 38.720 11.294 7.183 302 HA LYS 38 HA LYS 38 39.112 11.022 4.296 303 HB2 LYS 38 HB2 LYS 38 38.686 8.768 6.265 304 HB3 LYS 38 HB1 LYS 38 38.566 8.592 4.519 305 HG2 LYS 38 HG2 LYS 38 40.914 9.292 4.317 306 HG3 LYS 38 HG1 LYS 38 41.016 9.385 6.072 307 HD2 LYS 38 HD2 LYS 38 40.568 7.018 6.260 308 HD3 LYS 38 HD1 LYS 38 40.319 6.901 4.517 309 HE2 LYS 38 HE2 LYS 38 42.893 7.732 5.847 310 HE3 LYS 38 HE1 LYS 38 42.553 6.119 5.222 311 HZ1 LYS 38 HZ1 LYS 38 43.825 7.478 3.655 312 HZ2 LYS 38 HZ2 LYS 38 42.567 8.602 3.584 313 HZ3 LYS 38 HZ3 LYS 38 42.326 7.025 3.018 314 H GLU 39 HN GLU 39 37.373 11.774 3.427 315 HA GLU 39 HA GLU 39 34.946 12.236 4.680 316 HB2 GLU 39 HB2 GLU 39 33.986 12.683 2.479 317 HB3 GLU 39 HB1 GLU 39 35.578 13.402 2.628 318 HG2 GLU 39 HG2 GLU 39 36.533 11.630 1.253 319 HG3 GLU 39 HG1 GLU 39 34.965 10.827 1.185 320 H ALA 40 HN ALA 40 35.726 9.490 2.504 321 HA ALA 40 HA ALA 40 33.622 7.949 3.812 322 HB1 ALA 40 HB1 ALA 40 32.462 9.136 2.011 323 HB2 ALA 40 HB2 ALA 40 32.480 7.393 1.744 324 HB3 ALA 40 HB3 ALA 40 33.577 8.435 0.838 325 H GLU 41 HN GLU 41 36.567 7.714 3.587 326 HA GLU 41 HA GLU 41 36.702 5.210 2.117 327 HB2 GLU 41 HB2 GLU 41 38.310 6.897 1.284 328 HB3 GLU 41 HB1 GLU 41 39.032 6.982 2.887 329 HG2 GLU 41 HG2 GLU 41 39.609 4.591 2.729 330 HG3 GLU 41 HG1 GLU 41 38.943 4.557 1.100 331 H ARG 42 HN ARG 42 35.666 4.341 3.915 332 HA ARG 42 HA ARG 42 37.552 3.482 5.891 333 HB2 ARG 42 HB2 ARG 42 34.723 4.412 6.319 334 HB3 ARG 42 HB1 ARG 42 35.478 3.261 7.416 335 HG2 ARG 42 HG2 ARG 42 37.179 4.837 8.004 336 HG3 ARG 42 HG1 ARG 42 36.626 5.965 6.766 337 HD2 ARG 42 HD2 ARG 42 35.039 5.079 9.174 338 HD3 ARG 42 HD1 ARG 42 35.880 6.620 9.009 339 HE ARG 42 HE ARG 42 33.354 5.885 7.875 340 HH11 ARG 42 HH11 ARG 42 36.158 7.972 7.558 341 HH12 ARG 42 HH12 ARG 42 35.339 9.169 6.617 342 HH21 ARG 42 HH21 ARG 42 32.242 7.496 6.600 343 HH22 ARG 42 HH22 ARG 42 33.104 8.896 6.060 344 H LYS 43 HN LYS 43 37.728 1.589 5.836 345 HA LYS 43 HA LYS 43 36.483 -0.192 4.026 346 HB2 LYS 43 HB2 LYS 43 38.251 -0.934 6.346 347 HB3 LYS 43 HB1 LYS 43 37.983 -1.852 4.871 348 HG2 LYS 43 HG2 LYS 43 39.227 -0.347 3.574 349 HG3 LYS 43 HG1 LYS 43 39.189 0.894 4.829 350 HD2 LYS 43 HD2 LYS 43 40.543 -0.614 6.269 351 HD3 LYS 43 HD1 LYS 43 40.675 -1.727 4.907 352 HE2 LYS 43 HE2 LYS 43 41.801 -0.029 3.593 353 HE3 LYS 43 HE1 LYS 43 41.593 1.145 4.892 354 HZ1 LYS 43 HZ1 LYS 43 43.186 -1.352 5.053 355 HZ2 LYS 43 HZ2 LYS 43 42.982 -0.234 6.307 356 HZ3 LYS 43 HZ3 LYS 43 43.812 0.213 4.906 357 H ALA 44 HN ALA 44 35.618 0.796 7.119 358 HA ALA 44 HA ALA 44 34.532 -1.612 8.166 359 HB1 ALA 44 HB1 ALA 44 33.700 1.223 8.825 360 HB2 ALA 44 HB2 ALA 44 35.017 0.338 9.603 361 HB3 ALA 44 HB3 ALA 44 33.359 -0.221 9.775 362 H LEU 45 HN LEU 45 33.148 1.012 6.220 363 HA LEU 45 HA LEU 45 30.568 -0.322 6.155 364 HB2 LEU 45 HB2 LEU 45 31.488 2.226 4.822 365 HB3 LEU 45 HB1 LEU 45 29.842 1.632 4.867 366 HG LEU 45 HG LEU 45 31.456 2.536 7.248 367 HD11 LEU 45 HD11 LEU 45 30.766 4.379 5.821 368 HD12 LEU 45 HD12 LEU 45 29.858 4.383 7.333 369 HD13 LEU 45 HD13 LEU 45 29.101 3.796 5.852 370 HD21 LEU 45 HD21 LEU 45 29.943 0.747 7.874 371 HD22 LEU 45 HD22 LEU 45 28.608 1.562 7.059 372 HD23 LEU 45 HD23 LEU 45 29.346 2.289 8.487 373 H GLU 46 HN GLU 46 33.423 -0.070 4.273 374 HA GLU 46 HA GLU 46 32.208 -0.784 1.764 375 HB2 GLU 46 HB2 GLU 46 34.306 0.513 1.827 376 HB3 GLU 46 HB1 GLU 46 35.122 -0.842 2.597 377 HG2 GLU 46 HG2 GLU 46 34.663 -2.199 0.590 378 HG3 GLU 46 HG1 GLU 46 33.982 -0.766 -0.179 379 H ASP 47 HN ASP 47 33.836 -2.460 4.375 380 HA ASP 47 HA ASP 47 33.854 -4.985 2.949 381 HB2 ASP 47 HB2 ASP 47 35.713 -4.501 4.468 382 HB3 ASP 47 HB1 ASP 47 34.594 -4.342 5.819 383 H LYS 48 HN LYS 48 31.886 -3.306 5.224 384 HA LYS 48 HA LYS 48 30.225 -5.697 5.526 385 HB2 LYS 48 HB2 LYS 48 31.278 -4.976 7.612 386 HB3 LYS 48 HB1 LYS 48 30.533 -3.395 7.451 387 HG2 LYS 48 HG2 LYS 48 28.354 -4.308 7.745 388 HG3 LYS 48 HG1 LYS 48 28.980 -5.956 7.663 389 HD2 LYS 48 HD2 LYS 48 29.766 -3.958 9.780 390 HD3 LYS 48 HD1 LYS 48 28.476 -5.148 9.974 391 HE2 LYS 48 HE2 LYS 48 31.378 -5.769 9.412 392 HE3 LYS 48 HE1 LYS 48 30.578 -5.914 10.974 393 HZ1 LYS 48 HZ1 LYS 48 30.731 -8.047 9.845 394 HZ2 LYS 48 HZ2 LYS 48 29.857 -7.448 8.533 395 HZ3 LYS 48 HZ3 LYS 48 29.119 -7.587 10.047 396 H LEU 49 HN LEU 49 28.830 -5.147 3.636 397 HA LEU 49 HA LEU 49 27.876 -2.569 3.113 398 HB2 LEU 49 HB2 LEU 49 27.943 -4.546 1.501 399 HB3 LEU 49 HB1 LEU 49 26.503 -5.145 2.296 400 HG LEU 49 HG LEU 49 26.156 -3.970 0.099 401 HD11 LEU 49 HD11 LEU 49 24.723 -2.805 2.476 402 HD12 LEU 49 HD12 LEU 49 24.305 -4.293 1.627 403 HD13 LEU 49 HD13 LEU 49 24.169 -2.741 0.803 404 HD21 LEU 49 HD21 LEU 49 27.791 -2.180 0.408 405 HD22 LEU 49 HD22 LEU 49 26.806 -1.504 1.707 406 HD23 LEU 49 HD23 LEU 49 26.187 -1.540 0.058 407 H ALA 50 HN ALA 50 26.360 -5.241 4.916 408 HA ALA 50 HA ALA 50 23.899 -3.881 5.323 409 HB1 ALA 50 HB1 ALA 50 24.158 -6.342 5.522 410 HB2 ALA 50 HB2 ALA 50 23.346 -5.603 6.900 411 HB3 ALA 50 HB3 ALA 50 25.033 -6.089 7.033 412 H ASP 51 HN ASP 51 26.397 -4.660 7.747 413 HA ASP 51 HA ASP 51 27.156 -3.588 9.581 414 HB2 ASP 51 HB2 ASP 51 27.966 -1.901 8.031 415 HB3 ASP 51 HB1 ASP 51 26.396 -1.105 8.027 416 H TYR 52 HN TYR 52 25.686 -4.410 11.012 417 HA TYR 52 HA TYR 52 24.074 -2.494 12.346 418 HB2 TYR 52 HB2 TYR 52 22.497 -3.063 10.550 419 HB3 TYR 52 HB1 TYR 52 22.660 -4.772 10.929 420 HD1 TYR 52 HD1 TYR 52 21.791 -1.573 12.669 421 HD2 TYR 52 HD2 TYR 52 20.982 -5.722 12.196 422 HE1 TYR 52 HE1 TYR 52 19.924 -1.387 14.257 423 HE2 TYR 52 HE2 TYR 52 19.116 -5.546 13.785 424 HH TYR 52 HH TYR 52 18.323 -4.161 15.539 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -2.199 -18.030 14.903 2 H2 GLY 1 HT2 GLY 1 -1.539 -16.721 14.066 3 H3 GLY 1 HT3 GLY 1 -1.789 -18.186 13.268 4 HA2 GLY 1 HA1 GLY 1 -4.177 -17.953 13.571 5 HA3 GLY 1 HA2 GLY 1 -3.884 -16.399 14.338 6 H SER 2 HN SER 2 -5.515 -16.590 12.159 7 HA SER 2 HA SER 2 -4.220 -16.189 9.680 8 HB2 SER 2 HB2 SER 2 -6.993 -15.370 10.554 9 HB3 SER 2 HB1 SER 2 -6.422 -15.467 8.888 10 HG SER 2 HG SER 2 -6.731 -17.582 10.751 11 H VAL 3 HN VAL 3 -4.766 -14.138 12.366 12 HA VAL 3 HA VAL 3 -4.803 -11.631 11.146 13 HB VAL 3 HB VAL 3 -5.290 -11.924 13.522 14 HG11 VAL 3 HG11 VAL 3 -3.519 -12.323 15.160 15 HG12 VAL 3 HG12 VAL 3 -2.360 -12.546 13.850 16 HG13 VAL 3 HG13 VAL 3 -3.698 -13.679 14.047 17 HG21 VAL 3 HG21 VAL 3 -3.992 -10.036 14.432 18 HG22 VAL 3 HG22 VAL 3 -4.603 -9.711 12.811 19 HG23 VAL 3 HG23 VAL 3 -2.907 -10.134 13.044 20 H GLU 4 HN GLU 4 -2.179 -13.864 11.722 21 HA GLU 4 HA GLU 4 -0.070 -12.000 11.221 22 HB2 GLU 4 HB2 GLU 4 -0.086 -15.026 11.176 23 HB3 GLU 4 HB1 GLU 4 1.352 -14.023 11.065 24 HG2 GLU 4 HG2 GLU 4 -0.543 -13.918 13.387 25 HG3 GLU 4 HG1 GLU 4 0.866 -14.976 13.325 26 H LYS 5 HN LYS 5 -2.228 -13.783 9.235 27 HA LYS 5 HA LYS 5 -0.559 -13.814 6.908 28 HB2 LYS 5 HB2 LYS 5 -2.268 -15.492 7.116 29 HB3 LYS 5 HB1 LYS 5 -3.511 -14.274 7.346 30 HG2 LYS 5 HG2 LYS 5 -3.053 -13.488 5.019 31 HG3 LYS 5 HG1 LYS 5 -1.993 -14.887 4.824 32 HD2 LYS 5 HD2 LYS 5 -3.830 -16.393 5.231 33 HD3 LYS 5 HD1 LYS 5 -4.901 -15.040 5.604 34 HE2 LYS 5 HE2 LYS 5 -4.619 -14.217 3.302 35 HE3 LYS 5 HE1 LYS 5 -3.600 -15.613 2.947 36 HZ1 LYS 5 HZ1 LYS 5 -6.443 -15.724 3.782 37 HZ2 LYS 5 HZ2 LYS 5 -5.472 -17.053 3.424 38 HZ3 LYS 5 HZ3 LYS 5 -5.876 -15.951 2.211 39 H LEU 6 HN LEU 6 -3.333 -11.919 8.023 40 HA LEU 6 HA LEU 6 -3.138 -10.131 5.781 41 HB2 LEU 6 HB2 LEU 6 -4.988 -8.883 6.995 42 HB3 LEU 6 HB1 LEU 6 -5.339 -10.505 6.442 43 HG LEU 6 HG LEU 6 -4.785 -11.224 8.866 44 HD11 LEU 6 HD11 LEU 6 -5.259 -9.519 10.552 45 HD12 LEU 6 HD12 LEU 6 -5.305 -8.291 9.286 46 HD13 LEU 6 HD13 LEU 6 -3.805 -9.153 9.625 47 HD21 LEU 6 HD21 LEU 6 -7.264 -9.628 8.240 48 HD22 LEU 6 HD22 LEU 6 -7.089 -10.785 9.561 49 HD23 LEU 6 HD23 LEU 6 -7.004 -11.337 7.889 50 H THR 7 HN THR 7 -1.269 -10.372 8.422 51 HA THR 7 HA THR 7 -0.417 -7.660 8.136 52 HB THR 7 HB THR 7 -1.026 -8.846 10.859 53 HG1 THR 7 HG1 THR 7 -2.518 -7.449 9.108 54 HG21 THR 7 HG21 THR 7 -0.357 -6.636 11.705 55 HG22 THR 7 HG22 THR 7 0.061 -6.134 10.067 56 HG23 THR 7 HG23 THR 7 0.976 -7.418 10.856 57 H ALA 8 HN ALA 8 1.555 -8.505 7.269 58 HA ALA 8 HA ALA 8 3.439 -9.610 9.140 59 HB1 ALA 8 HB1 ALA 8 4.052 -11.506 7.677 60 HB2 ALA 8 HB2 ALA 8 2.659 -11.142 6.656 61 HB3 ALA 8 HB3 ALA 8 2.421 -11.652 8.327 62 H ASP 9 HN ASP 9 2.719 -8.761 5.789 63 HA ASP 9 HA ASP 9 5.359 -8.295 4.959 64 HB2 ASP 9 HB2 ASP 9 2.786 -7.037 3.950 65 HB3 ASP 9 HB1 ASP 9 4.335 -6.999 3.117 66 H ALA 10 HN ALA 10 2.907 -6.185 6.284 67 HA ALA 10 HA ALA 10 4.521 -3.841 6.361 68 HB1 ALA 10 HB1 ALA 10 2.059 -3.724 6.460 69 HB2 ALA 10 HB2 ALA 10 2.816 -2.869 7.801 70 HB3 ALA 10 HB3 ALA 10 2.096 -4.453 8.069 71 H GLU 11 HN GLU 11 4.258 -6.565 8.461 72 HA GLU 11 HA GLU 11 5.365 -5.304 10.794 73 HB2 GLU 11 HB2 GLU 11 3.949 -7.360 10.924 74 HB3 GLU 11 HB1 GLU 11 5.219 -8.274 10.131 75 HG2 GLU 11 HG2 GLU 11 6.709 -7.620 12.054 76 HG3 GLU 11 HG1 GLU 11 5.252 -7.026 12.852 77 H LEU 12 HN LEU 12 6.610 -7.497 8.326 78 HA LEU 12 HA LEU 12 9.307 -7.407 9.213 79 HB2 LEU 12 HB2 LEU 12 9.873 -8.524 7.105 80 HB3 LEU 12 HB1 LEU 12 8.504 -9.284 7.878 81 HG LEU 12 HG LEU 12 7.092 -7.826 6.176 82 HD11 LEU 12 HD11 LEU 12 8.182 -7.475 4.067 83 HD12 LEU 12 HD12 LEU 12 9.731 -7.955 4.766 84 HD13 LEU 12 HD13 LEU 12 8.912 -6.498 5.340 85 HD21 LEU 12 HD21 LEU 12 8.664 -10.256 5.352 86 HD22 LEU 12 HD22 LEU 12 7.231 -9.633 4.535 87 HD23 LEU 12 HD23 LEU 12 7.108 -10.238 6.185 88 H GLN 13 HN GLN 13 7.385 -5.382 7.240 89 HA GLN 13 HA GLN 13 9.321 -4.082 5.690 90 HB2 GLN 13 HB2 GLN 13 6.888 -3.839 5.305 91 HB3 GLN 13 HB1 GLN 13 6.758 -2.901 6.788 92 HG2 GLN 13 HG2 GLN 13 8.296 -1.235 5.790 93 HG3 GLN 13 HG1 GLN 13 8.234 -2.149 4.282 94 HE21 GLN 13 HE21 GLN 13 6.306 -2.205 3.118 95 HE22 GLN 13 HE22 GLN 13 5.053 -1.042 3.377 96 H ARG 14 HN ARG 14 7.867 -2.931 8.791 97 HA ARG 14 HA ARG 14 9.674 -0.762 8.945 98 HB2 ARG 14 HB2 ARG 14 7.535 -0.577 10.067 99 HB3 ARG 14 HB1 ARG 14 7.890 -1.980 11.070 100 HG2 ARG 14 HG2 ARG 14 9.745 -0.752 12.101 101 HG3 ARG 14 HG1 ARG 14 9.332 0.658 11.129 102 HD2 ARG 14 HD2 ARG 14 7.239 0.897 12.226 103 HD3 ARG 14 HD1 ARG 14 7.410 -0.668 13.024 104 HE ARG 14 HE ARG 14 9.587 0.728 13.864 105 HH11 ARG 14 HH11 ARG 14 6.152 1.452 13.893 106 HH12 ARG 14 HH12 ARG 14 6.231 2.339 15.373 107 HH21 ARG 14 HH21 ARG 14 9.698 1.888 15.779 108 HH22 ARG 14 HH22 ARG 14 8.271 2.597 16.466 109 H LEU 15 HN LEU 15 9.916 -4.112 9.939 110 HA LEU 15 HA LEU 15 11.775 -3.692 12.040 111 HB2 LEU 15 HB2 LEU 15 10.427 -5.748 11.791 112 HB3 LEU 15 HB1 LEU 15 11.288 -6.128 10.315 113 HG LEU 15 HG LEU 15 13.384 -6.342 11.622 114 HD11 LEU 15 HD11 LEU 15 12.838 -4.881 13.481 115 HD12 LEU 15 HD12 LEU 15 13.248 -6.493 14.064 116 HD13 LEU 15 HD13 LEU 15 11.561 -5.982 13.997 117 HD21 LEU 15 HD21 LEU 15 12.798 -8.470 12.687 118 HD22 LEU 15 HD22 LEU 15 12.057 -8.312 11.095 119 HD23 LEU 15 HD23 LEU 15 11.088 -8.066 12.548 120 H LYS 16 HN LYS 16 11.989 -4.198 8.599 121 HA LYS 16 HA LYS 16 14.876 -4.406 8.620 122 HB2 LYS 16 HB2 LYS 16 13.539 -5.674 6.969 123 HB3 LYS 16 HB1 LYS 16 12.967 -4.161 6.279 124 HG2 LYS 16 HG2 LYS 16 15.280 -3.592 5.676 125 HG3 LYS 16 HG1 LYS 16 15.802 -5.157 6.307 126 HD2 LYS 16 HD2 LYS 16 14.347 -6.284 4.690 127 HD3 LYS 16 HD1 LYS 16 13.841 -4.719 4.057 128 HE2 LYS 16 HE2 LYS 16 15.544 -5.679 2.632 129 HE3 LYS 16 HE1 LYS 16 16.165 -4.237 3.435 130 HZ1 LYS 16 HZ1 LYS 16 16.696 -7.039 4.259 131 HZ2 LYS 16 HZ2 LYS 16 17.295 -5.656 5.028 132 HZ3 LYS 16 HZ3 LYS 16 17.781 -6.025 3.452 133 H ASN 17 HN ASN 17 12.435 -2.026 7.671 134 HA ASN 17 HA ASN 17 14.294 -0.186 6.551 135 HB2 ASN 17 HB2 ASN 17 11.449 0.212 7.492 136 HB3 ASN 17 HB1 ASN 17 12.410 1.486 6.758 137 HD21 ASN 17 HD21 ASN 17 13.761 -0.317 4.896 138 HD22 ASN 17 HD22 ASN 17 12.585 -0.714 3.695 139 H GLU 18 HN GLU 18 12.796 -0.401 9.757 140 HA GLU 18 HA GLU 18 13.893 2.012 10.741 141 HB2 GLU 18 HB2 GLU 18 11.992 0.825 11.800 142 HB3 GLU 18 HB1 GLU 18 13.084 -0.460 12.286 143 HG2 GLU 18 HG2 GLU 18 14.328 1.132 13.665 144 HG3 GLU 18 HG1 GLU 18 13.204 2.404 13.191 145 H ARG 19 HN ARG 19 14.985 -1.337 10.845 146 HA ARG 19 HA ARG 19 17.264 -0.925 12.462 147 HB2 ARG 19 HB2 ARG 19 16.274 -3.168 11.913 148 HB3 ARG 19 HB1 ARG 19 16.963 -3.020 10.299 149 HG2 ARG 19 HG2 ARG 19 19.203 -2.873 11.332 150 HG3 ARG 19 HG1 ARG 19 18.455 -3.167 12.904 151 HD2 ARG 19 HD2 ARG 19 18.540 -4.998 10.521 152 HD3 ARG 19 HD1 ARG 19 19.266 -5.250 12.105 153 HE ARG 19 HE ARG 19 16.362 -5.004 11.950 154 HH11 ARG 19 HH11 ARG 19 19.174 -7.045 12.403 155 HH12 ARG 19 HH12 ARG 19 18.261 -8.380 13.020 156 HH21 ARG 19 HH21 ARG 19 15.155 -6.792 12.781 157 HH22 ARG 19 HH22 ARG 19 15.990 -8.237 13.233 158 H HIS 20 HN HIS 20 16.870 -0.997 8.956 159 HA HIS 20 HA HIS 20 19.575 -0.473 8.324 160 HB2 HIS 20 HB2 HIS 20 18.043 -1.374 6.633 161 HB3 HIS 20 HB1 HIS 20 17.091 0.109 6.677 162 HD1 HIS 20 HD1 HIS 20 17.669 1.778 4.957 163 HD2 HIS 20 HD2 HIS 20 20.810 -0.839 5.694 164 HE1 HIS 20 HE1 HIS 20 19.453 2.394 3.305 165 H GLU 21 HN GLU 21 16.862 1.630 9.003 166 HA GLU 21 HA GLU 21 18.095 4.042 8.144 167 HB2 GLU 21 HB2 GLU 21 15.590 3.670 8.622 168 HB3 GLU 21 HB1 GLU 21 16.000 3.897 10.319 169 HG2 GLU 21 HG2 GLU 21 15.153 5.937 9.335 170 HG3 GLU 21 HG1 GLU 21 16.840 6.126 9.817 171 H GLU 22 HN GLU 22 17.995 2.330 11.222 172 HA GLU 22 HA GLU 22 19.289 4.316 12.752 173 HB2 GLU 22 HB2 GLU 22 18.161 2.344 13.790 174 HB3 GLU 22 HB1 GLU 22 19.465 1.316 13.200 175 HG2 GLU 22 HG2 GLU 22 21.033 2.840 14.486 176 HG3 GLU 22 HG1 GLU 22 19.592 3.493 15.257 177 H ALA 23 HN ALA 23 20.607 1.479 11.010 178 HA ALA 23 HA ALA 23 23.289 1.881 11.614 179 HB1 ALA 23 HB1 ALA 23 22.457 -0.178 10.560 180 HB2 ALA 23 HB2 ALA 23 23.802 0.512 9.660 181 HB3 ALA 23 HB3 ALA 23 22.160 0.711 9.063 182 H GLU 24 HN GLU 24 21.293 3.442 9.220 183 HA GLU 24 HA GLU 24 23.400 4.634 7.734 184 HB2 GLU 24 HB2 GLU 24 20.777 4.473 7.226 185 HB3 GLU 24 HB1 GLU 24 20.763 6.053 7.993 186 HG2 GLU 24 HG2 GLU 24 22.504 5.341 5.654 187 HG3 GLU 24 HG1 GLU 24 20.896 6.033 5.507 188 H LEU 25 HN LEU 25 21.384 5.884 10.384 189 HA LEU 25 HA LEU 25 22.844 8.297 10.718 190 HB2 LEU 25 HB2 LEU 25 21.160 6.780 12.710 191 HB3 LEU 25 HB1 LEU 25 21.731 8.424 12.924 192 HG LEU 25 HG LEU 25 19.832 7.509 10.761 193 HD11 LEU 25 HD11 LEU 25 18.794 7.442 12.945 194 HD12 LEU 25 HD12 LEU 25 18.161 8.791 12.001 195 HD13 LEU 25 HD13 LEU 25 19.342 9.084 13.279 196 HD21 LEU 25 HD21 LEU 25 19.541 9.909 10.336 197 HD22 LEU 25 HD22 LEU 25 21.194 9.385 10.034 198 HD23 LEU 25 HD23 LEU 25 20.805 10.265 11.511 199 H GLU 26 HN GLU 26 23.129 5.138 12.049 200 HA GLU 26 HA GLU 26 25.159 5.470 13.949 201 HB2 GLU 26 HB2 GLU 26 23.965 3.315 13.415 202 HB3 GLU 26 HB1 GLU 26 24.993 3.163 11.998 203 HG2 GLU 26 HG2 GLU 26 25.911 1.788 13.680 204 HG3 GLU 26 HG1 GLU 26 26.963 3.194 13.536 205 H ARG 27 HN ARG 27 25.350 5.138 10.467 206 HA ARG 27 HA ARG 27 28.192 5.231 10.239 207 HB2 ARG 27 HB2 ARG 27 26.687 4.329 8.467 208 HB3 ARG 27 HB1 ARG 27 26.103 5.959 8.166 209 HG2 ARG 27 HG2 ARG 27 28.329 6.628 7.444 210 HG3 ARG 27 HG1 ARG 27 28.928 4.998 7.773 211 HD2 ARG 27 HD2 ARG 27 26.835 5.796 5.754 212 HD3 ARG 27 HD1 ARG 27 28.459 5.193 5.420 213 HE ARG 27 HE ARG 27 27.546 3.143 6.749 214 HH11 ARG 27 HH11 ARG 27 25.830 5.049 4.351 215 HH12 ARG 27 HH12 ARG 27 24.766 3.766 3.900 216 HH21 ARG 27 HH21 ARG 27 26.137 1.436 6.151 217 HH22 ARG 27 HH22 ARG 27 24.947 1.692 4.924 218 H LEU 28 HN LEU 28 25.734 7.617 10.607 219 HA LEU 28 HA LEU 28 27.185 9.855 9.587 220 HB2 LEU 28 HB2 LEU 28 24.695 9.844 9.866 221 HB3 LEU 28 HB1 LEU 28 24.914 9.847 11.605 222 HG LEU 28 HG LEU 28 26.056 12.091 9.973 223 HD11 LEU 28 HD11 LEU 28 23.190 11.823 10.860 224 HD12 LEU 28 HD12 LEU 28 23.768 11.869 9.193 225 HD13 LEU 28 HD13 LEU 28 23.935 13.288 10.227 226 HD21 LEU 28 HD21 LEU 28 25.588 13.358 12.013 227 HD22 LEU 28 HD22 LEU 28 26.589 11.949 12.365 228 HD23 LEU 28 HD23 LEU 28 24.868 11.925 12.747 229 H LYS 29 HN LYS 29 27.061 8.167 12.617 230 HA LYS 29 HA LYS 29 28.377 10.102 14.208 231 HB2 LYS 29 HB2 LYS 29 28.434 7.088 14.465 232 HB3 LYS 29 HB1 LYS 29 28.892 8.236 15.712 233 HG2 LYS 29 HG2 LYS 29 26.597 9.036 15.837 234 HG3 LYS 29 HG1 LYS 29 26.130 7.918 14.552 235 HD2 LYS 29 HD2 LYS 29 26.869 6.037 15.974 236 HD3 LYS 29 HD1 LYS 29 27.219 7.187 17.264 237 HE2 LYS 29 HE2 LYS 29 24.885 7.829 17.363 238 HE3 LYS 29 HE1 LYS 29 24.512 6.771 16.001 239 HZ1 LYS 29 HZ1 LYS 29 23.929 5.710 18.079 240 HZ2 LYS 29 HZ2 LYS 29 25.496 5.907 18.668 241 HZ3 LYS 29 HZ3 LYS 29 25.213 4.874 17.362 242 H SER 30 HN SER 30 29.572 7.224 12.400 243 HA SER 30 HA SER 30 32.238 7.591 12.787 244 HB2 SER 30 HB2 SER 30 30.890 6.561 10.290 245 HB3 SER 30 HB1 SER 30 32.518 6.176 10.852 246 HG SER 30 HG SER 30 31.398 5.378 12.813 247 H GLU 31 HN GLU 31 30.100 9.209 10.460 248 HA GLU 31 HA GLU 31 32.084 10.455 8.896 249 HB2 GLU 31 HB2 GLU 31 29.656 10.431 8.322 250 HB3 GLU 31 HB1 GLU 31 29.366 11.578 9.625 251 HG2 GLU 31 HG2 GLU 31 30.901 13.167 8.479 252 HG3 GLU 31 HG1 GLU 31 30.992 12.033 7.134 253 H ARG 32 HN ARG 32 30.419 11.493 11.807 254 HA ARG 32 HA ARG 32 31.734 13.910 12.260 255 HB2 ARG 32 HB2 ARG 32 30.512 11.878 14.108 256 HB3 ARG 32 HB1 ARG 32 31.318 13.298 14.756 257 HG2 ARG 32 HG2 ARG 32 29.723 14.745 13.938 258 HG3 ARG 32 HG1 ARG 32 29.206 13.628 12.677 259 HD2 ARG 32 HD2 ARG 32 27.607 13.972 14.620 260 HD3 ARG 32 HD1 ARG 32 27.988 12.308 14.197 261 HE ARG 32 HE ARG 32 29.727 12.616 16.117 262 HH11 ARG 32 HH11 ARG 32 26.490 13.992 16.058 263 HH12 ARG 32 HH12 ARG 32 26.247 13.812 17.755 264 HH21 ARG 32 HH21 ARG 32 29.394 12.369 18.368 265 HH22 ARG 32 HH22 ARG 32 27.900 12.878 19.084 266 H HIS 33 HN HIS 33 32.770 10.625 12.773 267 HA HIS 33 HA HIS 33 35.144 11.397 14.204 268 HB2 HIS 33 HB2 HIS 33 33.994 8.773 13.379 269 HB3 HIS 33 HB1 HIS 33 35.697 8.871 13.820 270 HD1 HIS 33 HD1 HIS 33 36.008 10.291 16.224 271 HD2 HIS 33 HD2 HIS 33 32.445 8.248 15.534 272 HE1 HIS 33 HE1 HIS 33 34.961 9.973 18.491 273 H ASP 34 HN ASP 34 34.292 11.172 10.935 274 HA ASP 34 HA ASP 34 36.803 10.544 9.816 275 HB2 ASP 34 HB2 ASP 34 34.464 12.137 8.771 276 HB3 ASP 34 HB1 ASP 34 35.995 12.189 7.918 277 H HIS 35 HN HIS 35 35.763 13.193 11.627 278 HA HIS 35 HA HIS 35 37.670 15.112 10.724 279 HB2 HIS 35 HB2 HIS 35 36.074 14.935 13.293 280 HB3 HIS 35 HB1 HIS 35 37.193 16.243 12.943 281 HD2 HIS 35 HD2 HIS 35 33.808 14.846 11.468 282 HE1 HIS 35 HE1 HIS 35 34.303 18.892 10.299 283 HE2 HIS 35 HE2 HIS 35 32.872 16.836 10.107 284 H ASP 36 HN ASP 36 37.699 12.505 13.062 285 HA ASP 36 HA ASP 36 40.136 13.123 14.375 286 HB2 ASP 36 HB2 ASP 36 38.870 10.422 13.784 287 HB3 ASP 36 HB1 ASP 36 40.248 10.660 14.842 288 H LYS 37 HN LYS 37 39.291 11.682 11.366 289 HA LYS 37 HA LYS 37 41.970 10.766 10.721 290 HB2 LYS 37 HB2 LYS 37 39.538 10.863 8.944 291 HB3 LYS 37 HB1 LYS 37 40.970 9.865 8.748 292 HG2 LYS 37 HG2 LYS 37 40.378 8.534 10.649 293 HG3 LYS 37 HG1 LYS 37 39.033 9.610 11.035 294 HD2 LYS 37 HD2 LYS 37 38.186 7.634 9.935 295 HD3 LYS 37 HD1 LYS 37 37.992 9.024 8.869 296 HE2 LYS 37 HE2 LYS 37 38.797 7.104 7.622 297 HE3 LYS 37 HE1 LYS 37 40.021 8.370 7.659 298 HZ1 LYS 37 HZ1 LYS 37 41.169 7.178 9.400 299 HZ2 LYS 37 HZ2 LYS 37 40.961 6.173 8.062 300 HZ3 LYS 37 HZ3 LYS 37 39.972 5.986 9.424 301 H LYS 38 HN LYS 38 40.424 13.635 10.732 302 HA LYS 38 HA LYS 38 41.590 14.637 8.235 303 HB2 LYS 38 HB2 LYS 38 39.191 15.108 8.667 304 HB3 LYS 38 HB1 LYS 38 39.631 15.971 10.129 305 HG2 LYS 38 HG2 LYS 38 40.875 17.592 8.760 306 HG3 LYS 38 HG1 LYS 38 40.334 16.744 7.310 307 HD2 LYS 38 HD2 LYS 38 37.979 17.121 8.068 308 HD3 LYS 38 HD1 LYS 38 38.618 18.133 9.363 309 HE2 LYS 38 HE2 LYS 38 37.905 19.513 7.506 310 HE3 LYS 38 HE1 LYS 38 39.657 19.592 7.679 311 HZ1 LYS 38 HZ1 LYS 38 38.253 17.837 5.740 312 HZ2 LYS 38 HZ2 LYS 38 39.918 18.104 5.848 313 HZ3 LYS 38 HZ3 LYS 38 38.895 19.352 5.363 314 H GLU 39 HN GLU 39 41.426 15.326 11.708 315 HA GLU 39 HA GLU 39 44.130 16.280 11.713 316 HB2 GLU 39 HB2 GLU 39 42.806 18.257 10.934 317 HB3 GLU 39 HB1 GLU 39 41.910 18.195 12.444 318 HG2 GLU 39 HG2 GLU 39 43.649 19.896 12.496 319 HG3 GLU 39 HG1 GLU 39 43.948 18.633 13.689 320 H ALA 40 HN ALA 40 45.010 15.956 13.681 321 HA ALA 40 HA ALA 40 43.342 14.659 15.680 322 HB1 ALA 40 HB1 ALA 40 46.333 15.112 15.721 323 HB2 ALA 40 HB2 ALA 40 45.525 13.679 15.083 324 HB3 ALA 40 HB3 ALA 40 45.413 14.064 16.798 325 H GLU 41 HN GLU 41 43.454 17.680 15.121 326 HA GLU 41 HA GLU 41 43.187 18.459 17.859 327 HB2 GLU 41 HB2 GLU 41 45.635 18.790 17.387 328 HB3 GLU 41 HB1 GLU 41 45.182 19.941 16.137 329 HG2 GLU 41 HG2 GLU 41 44.001 21.264 17.895 330 HG3 GLU 41 HG1 GLU 41 44.692 20.172 19.094 331 H ARG 42 HN ARG 42 41.068 18.638 17.066 332 HA ARG 42 HA ARG 42 40.474 21.182 15.950 333 HB2 ARG 42 HB2 ARG 42 39.711 18.578 14.634 334 HB3 ARG 42 HB1 ARG 42 38.732 20.022 14.443 335 HG2 ARG 42 HG2 ARG 42 41.644 19.850 13.698 336 HG3 ARG 42 HG1 ARG 42 40.312 19.572 12.574 337 HD2 ARG 42 HD2 ARG 42 40.986 21.819 12.257 338 HD3 ARG 42 HD1 ARG 42 39.488 21.880 13.180 339 HE ARG 42 HE ARG 42 41.888 21.923 14.781 340 HH11 ARG 42 HH11 ARG 42 39.487 23.845 13.084 341 HH12 ARG 42 HH12 ARG 42 39.839 25.291 13.959 342 HH21 ARG 42 HH21 ARG 42 42.350 23.855 15.950 343 HH22 ARG 42 HH22 ARG 42 41.472 25.301 15.592 344 H LYS 43 HN LYS 43 39.062 21.901 17.127 345 HA LYS 43 HA LYS 43 37.607 20.503 19.121 346 HB2 LYS 43 HB2 LYS 43 38.197 22.929 19.295 347 HB3 LYS 43 HB1 LYS 43 36.993 23.277 18.062 348 HG2 LYS 43 HG2 LYS 43 35.242 22.412 19.546 349 HG3 LYS 43 HG1 LYS 43 36.462 22.099 20.781 350 HD2 LYS 43 HD2 LYS 43 35.826 24.807 19.606 351 HD3 LYS 43 HD1 LYS 43 35.241 24.213 21.159 352 HE2 LYS 43 HE2 LYS 43 38.134 24.636 20.396 353 HE3 LYS 43 HE1 LYS 43 37.178 25.686 21.435 354 HZ1 LYS 43 HZ1 LYS 43 38.560 24.225 22.732 355 HZ2 LYS 43 HZ2 LYS 43 37.890 22.863 22.003 356 HZ3 LYS 43 HZ3 LYS 43 36.932 23.848 22.990 357 H ALA 44 HN ALA 44 37.067 20.794 15.828 358 HA ALA 44 HA ALA 44 34.334 21.019 15.497 359 HB1 ALA 44 HB1 ALA 44 35.859 20.942 13.587 360 HB2 ALA 44 HB2 ALA 44 34.568 19.758 13.406 361 HB3 ALA 44 HB3 ALA 44 36.176 19.231 13.888 362 H LEU 45 HN LEU 45 36.123 17.932 16.021 363 HA LEU 45 HA LEU 45 33.876 16.293 16.134 364 HB2 LEU 45 HB2 LEU 45 36.112 15.377 15.959 365 HB3 LEU 45 HB1 LEU 45 36.525 15.999 17.545 366 HG LEU 45 HG LEU 45 34.769 14.494 18.516 367 HD11 LEU 45 HD11 LEU 45 34.747 13.330 15.740 368 HD12 LEU 45 HD12 LEU 45 33.412 14.156 16.544 369 HD13 LEU 45 HD13 LEU 45 33.995 12.612 17.163 370 HD21 LEU 45 HD21 LEU 45 37.108 13.889 18.612 371 HD22 LEU 45 HD22 LEU 45 37.021 13.193 16.995 372 HD23 LEU 45 HD23 LEU 45 36.124 12.456 18.322 373 H GLU 46 HN GLU 46 35.555 18.023 18.790 374 HA GLU 46 HA GLU 46 34.065 17.024 20.896 375 HB2 GLU 46 HB2 GLU 46 35.257 19.786 20.637 376 HB3 GLU 46 HB1 GLU 46 34.919 18.915 22.124 377 HG2 GLU 46 HG2 GLU 46 36.940 18.089 20.057 378 HG3 GLU 46 HG1 GLU 46 37.304 18.944 21.552 379 H ASP 47 HN ASP 47 33.632 19.876 18.877 380 HA ASP 47 HA ASP 47 31.374 20.965 20.141 381 HB2 ASP 47 HB2 ASP 47 32.850 22.081 18.361 382 HB3 ASP 47 HB1 ASP 47 31.899 21.201 17.168 383 H LYS 48 HN LYS 48 31.604 18.121 18.345 384 HA LYS 48 HA LYS 48 28.763 18.118 17.669 385 HB2 LYS 48 HB2 LYS 48 30.945 16.112 16.993 386 HB3 LYS 48 HB1 LYS 48 29.255 15.924 16.555 387 HG2 LYS 48 HG2 LYS 48 31.050 18.171 15.668 388 HG3 LYS 48 HG1 LYS 48 30.613 16.757 14.705 389 HD2 LYS 48 HD2 LYS 48 28.261 17.405 14.821 390 HD3 LYS 48 HD1 LYS 48 28.690 18.805 15.801 391 HE2 LYS 48 HE2 LYS 48 30.043 19.674 13.952 392 HE3 LYS 48 HE1 LYS 48 29.585 18.280 12.972 393 HZ1 LYS 48 HZ1 LYS 48 28.252 20.279 12.514 394 HZ2 LYS 48 HZ2 LYS 48 27.668 20.237 14.103 395 HZ3 LYS 48 HZ3 LYS 48 27.311 18.976 13.039 396 H LEU 49 HN LEU 49 31.035 15.922 19.341 397 HA LEU 49 HA LEU 49 29.062 14.383 20.622 398 HB2 LEU 49 HB2 LEU 49 31.413 13.660 20.413 399 HB3 LEU 49 HB1 LEU 49 31.898 14.908 21.548 400 HG LEU 49 HG LEU 49 30.529 13.770 23.292 401 HD11 LEU 49 HD11 LEU 49 29.832 11.456 22.891 402 HD12 LEU 49 HD12 LEU 49 30.275 11.624 21.192 403 HD13 LEU 49 HD13 LEU 49 28.966 12.596 21.864 404 HD21 LEU 49 HD21 LEU 49 32.681 12.109 21.987 405 HD22 LEU 49 HD22 LEU 49 32.114 11.941 23.648 406 HD23 LEU 49 HD23 LEU 49 32.934 13.418 23.142 407 H ALA 50 HN ALA 50 30.408 17.420 21.435 408 HA ALA 50 HA ALA 50 28.653 17.576 23.791 409 HB1 ALA 50 HB1 ALA 50 31.538 18.452 23.804 410 HB2 ALA 50 HB2 ALA 50 30.891 17.025 24.614 411 HB3 ALA 50 HB3 ALA 50 30.389 18.635 25.129 412 H ASP 51 HN ASP 51 28.158 19.741 24.465 413 HA ASP 51 HA ASP 51 29.000 21.941 22.864 414 HB2 ASP 51 HB2 ASP 51 26.800 22.627 22.045 415 HB3 ASP 51 HB1 ASP 51 27.196 21.033 21.422 416 H TYR 52 HN TYR 52 29.145 23.618 24.084 417 HA TYR 52 HA TYR 52 29.139 24.950 25.930 418 HB2 TYR 52 HB2 TYR 52 26.262 24.023 26.045 419 HB3 TYR 52 HB1 TYR 52 26.922 25.311 27.046 420 HD1 TYR 52 HD1 TYR 52 25.834 24.366 23.692 421 HD2 TYR 52 HD2 TYR 52 27.558 27.446 26.061 422 HE1 TYR 52 HE1 TYR 52 25.380 25.988 21.903 423 HE2 TYR 52 HE2 TYR 52 27.110 29.076 24.282 424 HH TYR 52 HH TYR 52 26.729 29.132 21.899 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 1.248 -23.277 4.269 2 H2 GLY 1 HT2 GLY 1 0.690 -21.696 4.076 3 H3 GLY 1 HT3 GLY 1 -0.382 -22.917 4.520 4 HA2 GLY 1 HA1 GLY 1 0.756 -23.198 6.623 5 HA3 GLY 1 HA2 GLY 1 1.876 -21.928 6.156 6 H SER 2 HN SER 2 1.399 -19.928 6.745 7 HA SER 2 HA SER 2 -1.348 -19.100 7.068 8 HB2 SER 2 HB2 SER 2 -0.746 -20.062 9.285 9 HB3 SER 2 HB1 SER 2 0.613 -18.944 9.378 10 HG SER 2 HG SER 2 -1.099 -18.047 10.496 11 H VAL 3 HN VAL 3 -1.519 -16.780 7.283 12 HA VAL 3 HA VAL 3 0.883 -15.367 6.342 13 HB VAL 3 HB VAL 3 -1.937 -14.509 5.666 14 HG11 VAL 3 HG11 VAL 3 -0.855 -13.262 3.871 15 HG12 VAL 3 HG12 VAL 3 0.710 -13.921 4.341 16 HG13 VAL 3 HG13 VAL 3 -0.152 -12.840 5.435 17 HG21 VAL 3 HG21 VAL 3 -1.680 -16.758 4.763 18 HG22 VAL 3 HG22 VAL 3 -0.166 -16.290 3.988 19 HG23 VAL 3 HG23 VAL 3 -1.687 -15.567 3.463 20 H GLU 4 HN GLU 4 -1.231 -15.877 8.759 21 HA GLU 4 HA GLU 4 -1.720 -14.911 10.713 22 HB2 GLU 4 HB2 GLU 4 0.618 -13.170 10.027 23 HB3 GLU 4 HB1 GLU 4 -0.177 -13.190 11.597 24 HG2 GLU 4 HG2 GLU 4 0.336 -15.609 11.768 25 HG3 GLU 4 HG1 GLU 4 1.243 -15.485 10.265 26 H LYS 5 HN LYS 5 -3.855 -14.255 9.566 27 HA LYS 5 HA LYS 5 -5.427 -12.776 9.095 28 HB2 LYS 5 HB2 LYS 5 -3.719 -10.982 10.830 29 HB3 LYS 5 HB1 LYS 5 -5.383 -10.653 10.366 30 HG2 LYS 5 HG2 LYS 5 -6.167 -12.561 11.582 31 HG3 LYS 5 HG1 LYS 5 -4.515 -13.079 11.916 32 HD2 LYS 5 HD2 LYS 5 -4.163 -11.014 13.214 33 HD3 LYS 5 HD1 LYS 5 -5.843 -10.562 12.914 34 HE2 LYS 5 HE2 LYS 5 -6.621 -12.525 14.087 35 HE3 LYS 5 HE1 LYS 5 -4.966 -13.092 14.295 36 HZ1 LYS 5 HZ1 LYS 5 -4.528 -11.123 15.649 37 HZ2 LYS 5 HZ2 LYS 5 -5.763 -12.073 16.300 38 HZ3 LYS 5 HZ3 LYS 5 -6.143 -10.644 15.489 39 H LEU 6 HN LEU 6 -2.978 -12.964 7.455 40 HA LEU 6 HA LEU 6 -2.094 -12.071 5.567 41 HB2 LEU 6 HB2 LEU 6 -4.418 -10.137 5.720 42 HB3 LEU 6 HB1 LEU 6 -3.389 -10.392 4.327 43 HG LEU 6 HG LEU 6 -5.283 -12.427 5.511 44 HD11 LEU 6 HD11 LEU 6 -5.435 -10.834 2.959 45 HD12 LEU 6 HD12 LEU 6 -6.439 -10.604 4.391 46 HD13 LEU 6 HD13 LEU 6 -6.560 -12.096 3.458 47 HD21 LEU 6 HD21 LEU 6 -4.755 -13.746 3.502 48 HD22 LEU 6 HD22 LEU 6 -3.345 -13.511 4.533 49 HD23 LEU 6 HD23 LEU 6 -3.528 -12.559 3.060 50 H THR 7 HN THR 7 -1.196 -11.185 8.210 51 HA THR 7 HA THR 7 -0.092 -8.655 7.393 52 HB THR 7 HB THR 7 -1.514 -9.008 10.039 53 HG1 THR 7 HG1 THR 7 -2.371 -8.217 7.614 54 HG21 THR 7 HG21 THR 7 -0.066 -6.618 8.871 55 HG22 THR 7 HG22 THR 7 0.516 -7.615 10.203 56 HG23 THR 7 HG23 THR 7 -0.944 -6.648 10.401 57 H ALA 8 HN ALA 8 1.969 -9.711 7.406 58 HA ALA 8 HA ALA 8 3.154 -10.030 10.020 59 HB1 ALA 8 HB1 ALA 8 3.279 -12.223 7.939 60 HB2 ALA 8 HB2 ALA 8 2.448 -12.306 9.491 61 HB3 ALA 8 HB3 ALA 8 4.205 -12.178 9.439 62 H ASP 9 HN ASP 9 3.580 -10.177 6.508 63 HA ASP 9 HA ASP 9 6.361 -9.696 6.465 64 HB2 ASP 9 HB2 ASP 9 4.272 -9.052 4.369 65 HB3 ASP 9 HB1 ASP 9 6.010 -8.992 4.104 66 H ALA 10 HN ALA 10 3.605 -7.551 6.387 67 HA ALA 10 HA ALA 10 4.882 -5.114 5.972 68 HB1 ALA 10 HB1 ALA 10 2.933 -4.042 6.956 69 HB2 ALA 10 HB2 ALA 10 2.409 -5.571 7.654 70 HB3 ALA 10 HB3 ALA 10 2.435 -5.358 5.900 71 H GLU 11 HN GLU 11 4.564 -6.968 8.911 72 HA GLU 11 HA GLU 11 5.500 -4.871 10.631 73 HB2 GLU 11 HB2 GLU 11 5.348 -7.866 11.086 74 HB3 GLU 11 HB1 GLU 11 5.763 -6.688 12.317 75 HG2 GLU 11 HG2 GLU 11 3.122 -6.885 10.872 76 HG3 GLU 11 HG1 GLU 11 3.452 -7.368 12.531 77 H LEU 12 HN LEU 12 6.884 -7.191 8.570 78 HA LEU 12 HA LEU 12 9.511 -7.181 9.768 79 HB2 LEU 12 HB2 LEU 12 8.903 -8.106 6.968 80 HB3 LEU 12 HB1 LEU 12 10.159 -8.666 8.049 81 HG LEU 12 HG LEU 12 7.220 -9.348 8.131 82 HD11 LEU 12 HD11 LEU 12 8.477 -10.592 6.548 83 HD12 LEU 12 HD12 LEU 12 8.000 -11.615 7.903 84 HD13 LEU 12 HD13 LEU 12 9.663 -11.030 7.779 85 HD21 LEU 12 HD21 LEU 12 9.323 -10.012 10.182 86 HD22 LEU 12 HD22 LEU 12 7.687 -10.683 10.107 87 HD23 LEU 12 HD23 LEU 12 7.919 -8.961 10.401 88 H GLN 13 HN GLN 13 7.847 -5.757 7.020 89 HA GLN 13 HA GLN 13 9.977 -4.463 5.757 90 HB2 GLN 13 HB2 GLN 13 7.103 -3.547 5.993 91 HB3 GLN 13 HB1 GLN 13 8.269 -2.955 4.819 92 HG2 GLN 13 HG2 GLN 13 8.378 -5.103 3.760 93 HG3 GLN 13 HG1 GLN 13 7.366 -5.817 5.013 94 HE21 GLN 13 HE21 GLN 13 6.960 -5.700 2.140 95 HE22 GLN 13 HE22 GLN 13 5.442 -4.905 1.900 96 H ARG 14 HN ARG 14 7.847 -3.374 8.343 97 HA ARG 14 HA ARG 14 8.871 -0.777 8.660 98 HB2 ARG 14 HB2 ARG 14 6.798 -1.501 9.757 99 HB3 ARG 14 HB1 ARG 14 7.703 -2.606 10.783 100 HG2 ARG 14 HG2 ARG 14 8.933 -0.548 11.628 101 HG3 ARG 14 HG1 ARG 14 7.664 0.386 10.832 102 HD2 ARG 14 HD2 ARG 14 7.075 0.055 13.139 103 HD3 ARG 14 HD1 ARG 14 5.982 -0.881 12.120 104 HE ARG 14 HE ARG 14 8.316 -2.137 13.391 105 HH11 ARG 14 HH11 ARG 14 4.837 -1.991 12.892 106 HH12 ARG 14 HH12 ARG 14 4.520 -3.496 13.684 107 HH21 ARG 14 HH21 ARG 14 7.897 -4.128 14.470 108 HH22 ARG 14 HH22 ARG 14 6.271 -4.696 14.617 109 H LEU 15 HN LEU 15 9.781 -3.810 10.214 110 HA LEU 15 HA LEU 15 11.793 -2.845 11.897 111 HB2 LEU 15 HB2 LEU 15 10.850 -5.112 12.045 112 HB3 LEU 15 HB1 LEU 15 11.633 -5.536 10.536 113 HG LEU 15 HG LEU 15 13.840 -5.170 11.630 114 HD11 LEU 15 HD11 LEU 15 13.163 -3.637 13.383 115 HD12 LEU 15 HD12 LEU 15 13.925 -5.066 14.079 116 HD13 LEU 15 HD13 LEU 15 12.171 -4.891 14.125 117 HD21 LEU 15 HD21 LEU 15 12.021 -7.190 12.939 118 HD22 LEU 15 HD22 LEU 15 13.783 -7.237 12.952 119 HD23 LEU 15 HD23 LEU 15 12.907 -7.407 11.431 120 H LYS 16 HN LYS 16 11.995 -4.038 8.559 121 HA LYS 16 HA LYS 16 14.746 -3.826 8.197 122 HB2 LYS 16 HB2 LYS 16 12.580 -3.345 6.134 123 HB3 LYS 16 HB1 LYS 16 14.273 -3.653 5.786 124 HG2 LYS 16 HG2 LYS 16 14.063 -5.866 6.811 125 HG3 LYS 16 HG1 LYS 16 12.354 -5.552 7.113 126 HD2 LYS 16 HD2 LYS 16 12.013 -5.271 4.684 127 HD3 LYS 16 HD1 LYS 16 13.713 -5.666 4.419 128 HE2 LYS 16 HE2 LYS 16 11.621 -7.461 5.648 129 HE3 LYS 16 HE1 LYS 16 12.320 -7.617 4.038 130 HZ1 LYS 16 HZ1 LYS 16 14.489 -7.984 5.086 131 HZ2 LYS 16 HZ2 LYS 16 13.357 -9.151 5.545 132 HZ3 LYS 16 HZ3 LYS 16 13.766 -7.914 6.615 133 H ASN 17 HN ASN 17 12.230 -1.391 7.578 134 HA ASN 17 HA ASN 17 13.953 0.638 6.643 135 HB2 ASN 17 HB2 ASN 17 11.276 0.903 8.040 136 HB3 ASN 17 HB1 ASN 17 12.100 2.195 7.178 137 HD21 ASN 17 HD21 ASN 17 9.493 1.004 6.731 138 HD22 ASN 17 HD22 ASN 17 9.498 0.421 5.103 139 H GLU 18 HN GLU 18 12.662 -0.071 9.839 140 HA GLU 18 HA GLU 18 13.719 2.163 11.153 141 HB2 GLU 18 HB2 GLU 18 11.909 0.793 12.055 142 HB3 GLU 18 HB1 GLU 18 13.018 -0.552 12.263 143 HG2 GLU 18 HG2 GLU 18 14.231 0.618 13.946 144 HG3 GLU 18 HG1 GLU 18 13.334 2.102 13.627 145 H ARG 19 HN ARG 19 15.023 -1.140 10.841 146 HA ARG 19 HA ARG 19 17.348 -0.499 12.398 147 HB2 ARG 19 HB2 ARG 19 16.405 -2.849 12.087 148 HB3 ARG 19 HB1 ARG 19 17.148 -2.833 10.490 149 HG2 ARG 19 HG2 ARG 19 19.338 -2.488 11.521 150 HG3 ARG 19 HG1 ARG 19 18.588 -2.515 13.116 151 HD2 ARG 19 HD2 ARG 19 19.477 -4.679 12.752 152 HD3 ARG 19 HD1 ARG 19 17.732 -4.801 12.552 153 HE ARG 19 HE ARG 19 19.133 -4.351 10.091 154 HH11 ARG 19 HH11 ARG 19 17.985 -6.789 12.349 155 HH12 ARG 19 HH12 ARG 19 18.073 -8.083 11.205 156 HH21 ARG 19 HH21 ARG 19 19.235 -6.076 8.554 157 HH22 ARG 19 HH22 ARG 19 18.797 -7.675 9.046 158 H HIS 20 HN HIS 20 16.532 -0.358 9.050 159 HA HIS 20 HA HIS 20 19.206 -0.008 8.076 160 HB2 HIS 20 HB2 HIS 20 17.396 -0.618 6.507 161 HB3 HIS 20 HB1 HIS 20 16.604 0.927 6.811 162 HD1 HIS 20 HD1 HIS 20 17.186 2.761 5.257 163 HD2 HIS 20 HD2 HIS 20 20.048 -0.254 5.251 164 HE1 HIS 20 HE1 HIS 20 18.828 3.402 3.482 165 H GLU 21 HN GLU 21 16.632 2.165 9.062 166 HA GLU 21 HA GLU 21 17.987 4.593 8.629 167 HB2 GLU 21 HB2 GLU 21 15.565 4.500 9.093 168 HB3 GLU 21 HB1 GLU 21 15.900 3.969 10.738 169 HG2 GLU 21 HG2 GLU 21 17.021 6.087 11.186 170 HG3 GLU 21 HG1 GLU 21 16.668 6.616 9.542 171 H GLU 22 HN GLU 22 18.146 2.240 11.164 172 HA GLU 22 HA GLU 22 19.629 3.882 12.963 173 HB2 GLU 22 HB2 GLU 22 18.388 1.989 13.863 174 HB3 GLU 22 HB1 GLU 22 19.297 0.857 12.878 175 HG2 GLU 22 HG2 GLU 22 21.291 1.295 14.120 176 HG3 GLU 22 HG1 GLU 22 20.500 2.593 15.013 177 H ALA 23 HN ALA 23 20.611 1.093 10.871 178 HA ALA 23 HA ALA 23 23.279 1.223 11.014 179 HB1 ALA 23 HB1 ALA 23 22.084 -0.402 9.608 180 HB2 ALA 23 HB2 ALA 23 23.397 0.374 8.732 181 HB3 ALA 23 HB3 ALA 23 21.736 0.874 8.441 182 H GLU 24 HN GLU 24 21.319 3.391 8.970 183 HA GLU 24 HA GLU 24 23.637 4.595 7.821 184 HB2 GLU 24 HB2 GLU 24 22.142 6.334 6.933 185 HB3 GLU 24 HB1 GLU 24 21.535 4.719 6.611 186 HG2 GLU 24 HG2 GLU 24 19.935 4.946 8.411 187 HG3 GLU 24 HG1 GLU 24 20.571 6.544 8.793 188 H LEU 25 HN LEU 25 21.498 5.524 10.466 189 HA LEU 25 HA LEU 25 22.764 7.903 11.213 190 HB2 LEU 25 HB2 LEU 25 20.629 7.151 12.158 191 HB3 LEU 25 HB1 LEU 25 21.444 5.833 12.974 192 HG LEU 25 HG LEU 25 22.673 7.463 14.357 193 HD11 LEU 25 HD11 LEU 25 21.971 9.801 14.354 194 HD12 LEU 25 HD12 LEU 25 20.945 9.493 12.955 195 HD13 LEU 25 HD13 LEU 25 22.695 9.336 12.818 196 HD21 LEU 25 HD21 LEU 25 20.587 6.496 15.172 197 HD22 LEU 25 HD22 LEU 25 19.673 7.789 14.394 198 HD23 LEU 25 HD23 LEU 25 20.767 8.162 15.724 199 H GLU 26 HN GLU 26 23.386 4.623 12.135 200 HA GLU 26 HA GLU 26 25.559 5.057 13.891 201 HB2 GLU 26 HB2 GLU 26 24.390 2.879 13.701 202 HB3 GLU 26 HB1 GLU 26 25.146 2.630 12.133 203 HG2 GLU 26 HG2 GLU 26 27.345 2.633 13.181 204 HG3 GLU 26 HG1 GLU 26 26.603 2.914 14.753 205 H ARG 27 HN ARG 27 25.422 4.930 10.414 206 HA ARG 27 HA ARG 27 28.290 4.988 10.103 207 HB2 ARG 27 HB2 ARG 27 26.087 5.504 8.086 208 HB3 ARG 27 HB1 ARG 27 27.799 5.389 7.706 209 HG2 ARG 27 HG2 ARG 27 27.857 3.090 8.407 210 HG3 ARG 27 HG1 ARG 27 26.181 3.181 8.945 211 HD2 ARG 27 HD2 ARG 27 25.477 3.620 6.634 212 HD3 ARG 27 HD1 ARG 27 27.158 3.497 6.109 213 HE ARG 27 HE ARG 27 26.537 1.170 7.497 214 HH11 ARG 27 HH11 ARG 27 25.546 2.747 4.517 215 HH12 ARG 27 HH12 ARG 27 25.200 1.258 3.707 216 HH21 ARG 27 HH21 ARG 27 26.067 -0.781 6.428 217 HH22 ARG 27 HH22 ARG 27 25.496 -0.758 4.793 218 H LEU 28 HN LEU 28 25.658 7.282 10.196 219 HA LEU 28 HA LEU 28 27.065 9.554 9.304 220 HB2 LEU 28 HB2 LEU 28 24.723 9.407 11.201 221 HB3 LEU 28 HB1 LEU 28 25.297 10.862 10.419 222 HG LEU 28 HG LEU 28 24.078 8.468 9.047 223 HD11 LEU 28 HD11 LEU 28 22.257 9.999 8.521 224 HD12 LEU 28 HD12 LEU 28 23.049 11.268 9.453 225 HD13 LEU 28 HD13 LEU 28 22.461 9.817 10.263 226 HD21 LEU 28 HD21 LEU 28 25.096 11.068 7.905 227 HD22 LEU 28 HD22 LEU 28 24.173 9.854 7.018 228 HD23 LEU 28 HD23 LEU 28 25.778 9.463 7.633 229 H LYS 29 HN LYS 29 26.834 8.017 12.468 230 HA LYS 29 HA LYS 29 27.976 10.225 13.840 231 HB2 LYS 29 HB2 LYS 29 28.217 8.739 15.778 232 HB3 LYS 29 HB1 LYS 29 26.616 8.617 15.082 233 HG2 LYS 29 HG2 LYS 29 27.090 6.423 15.536 234 HG3 LYS 29 HG1 LYS 29 27.614 6.538 13.858 235 HD2 LYS 29 HD2 LYS 29 29.937 6.856 14.618 236 HD3 LYS 29 HD1 LYS 29 29.399 6.717 16.293 237 HE2 LYS 29 HE2 LYS 29 28.599 4.440 15.836 238 HE3 LYS 29 HE1 LYS 29 29.153 4.586 14.168 239 HZ1 LYS 29 HZ1 LYS 29 30.726 3.376 15.534 240 HZ2 LYS 29 HZ2 LYS 29 30.887 4.692 16.576 241 HZ3 LYS 29 HZ3 LYS 29 31.424 4.811 14.976 242 H SER 30 HN SER 30 29.364 7.358 12.226 243 HA SER 30 HA SER 30 31.954 7.928 13.168 244 HB2 SER 30 HB2 SER 30 32.519 6.400 11.112 245 HB3 SER 30 HB1 SER 30 31.741 5.716 12.538 246 HG SER 30 HG SER 30 30.273 6.663 10.295 247 H GLU 31 HN GLU 31 30.013 9.031 10.456 248 HA GLU 31 HA GLU 31 32.127 10.183 8.960 249 HB2 GLU 31 HB2 GLU 31 29.258 11.132 9.146 250 HB3 GLU 31 HB1 GLU 31 30.413 11.582 7.904 251 HG2 GLU 31 HG2 GLU 31 30.530 9.076 7.395 252 HG3 GLU 31 HG1 GLU 31 29.052 8.962 8.344 253 H ARG 32 HN ARG 32 29.943 11.440 11.375 254 HA ARG 32 HA ARG 32 30.780 13.983 11.811 255 HB2 ARG 32 HB2 ARG 32 29.132 12.463 13.168 256 HB3 ARG 32 HB1 ARG 32 30.524 12.194 14.206 257 HG2 ARG 32 HG2 ARG 32 29.263 13.945 15.169 258 HG3 ARG 32 HG1 ARG 32 30.696 14.685 14.450 259 HD2 ARG 32 HD2 ARG 32 28.720 16.002 13.943 260 HD3 ARG 32 HD1 ARG 32 29.373 15.294 12.469 261 HE ARG 32 HE ARG 32 27.299 13.717 13.706 262 HH11 ARG 32 HH11 ARG 32 27.970 16.304 11.432 263 HH12 ARG 32 HH12 ARG 32 26.448 16.170 10.629 264 HH21 ARG 32 HH21 ARG 32 25.294 13.523 12.635 265 HH22 ARG 32 HH22 ARG 32 24.902 14.569 11.315 266 H HIS 33 HN HIS 33 32.394 11.085 13.112 267 HA HIS 33 HA HIS 33 34.594 12.547 14.227 268 HB2 HIS 33 HB2 HIS 33 33.970 10.397 15.186 269 HB3 HIS 33 HB1 HIS 33 34.260 9.594 13.648 270 HD1 HIS 33 HD1 HIS 33 36.591 8.749 13.230 271 HD2 HIS 33 HD2 HIS 33 36.396 11.375 16.446 272 HE1 HIS 33 HE1 HIS 33 38.865 8.694 14.275 273 H ASP 34 HN ASP 34 33.970 10.828 11.274 274 HA ASP 34 HA ASP 34 36.522 10.662 10.149 275 HB2 ASP 34 HB2 ASP 34 34.516 9.541 9.208 276 HB3 ASP 34 HB1 ASP 34 33.885 11.106 8.706 277 H HIS 35 HN HIS 35 34.141 13.243 9.927 278 HA HIS 35 HA HIS 35 35.856 14.994 8.402 279 HB2 HIS 35 HB2 HIS 35 33.389 15.155 8.211 280 HB3 HIS 35 HB1 HIS 35 33.274 15.583 9.912 281 HD2 HIS 35 HD2 HIS 35 34.372 17.218 6.525 282 HE1 HIS 35 HE1 HIS 35 33.871 20.256 9.431 283 HE2 HIS 35 HE2 HIS 35 34.108 19.742 6.979 284 H ASP 36 HN ASP 36 35.254 14.442 11.754 285 HA ASP 36 HA ASP 36 36.450 16.868 12.705 286 HB2 ASP 36 HB2 ASP 36 34.872 15.599 14.118 287 HB3 ASP 36 HB1 ASP 36 35.999 14.245 14.168 288 H LYS 37 HN LYS 37 37.638 13.775 11.723 289 HA LYS 37 HA LYS 37 40.366 14.688 12.178 290 HB2 LYS 37 HB2 LYS 37 39.847 13.171 14.041 291 HB3 LYS 37 HB1 LYS 37 39.337 11.931 12.905 292 HG2 LYS 37 HG2 LYS 37 41.666 11.910 11.993 293 HG3 LYS 37 HG1 LYS 37 42.127 13.005 13.298 294 HD2 LYS 37 HD2 LYS 37 40.834 10.323 13.766 295 HD3 LYS 37 HD1 LYS 37 42.581 10.553 13.710 296 HE2 LYS 37 HE2 LYS 37 40.736 12.022 15.588 297 HE3 LYS 37 HE1 LYS 37 41.595 10.543 16.007 298 HZ1 LYS 37 HZ1 LYS 37 42.887 13.080 15.166 299 HZ2 LYS 37 HZ2 LYS 37 43.682 11.670 15.638 300 HZ3 LYS 37 HZ3 LYS 37 42.759 12.532 16.759 301 H LYS 38 HN LYS 38 39.878 15.164 9.898 302 HA LYS 38 HA LYS 38 39.631 13.162 7.918 303 HB2 LYS 38 HB2 LYS 38 41.019 15.810 7.558 304 HB3 LYS 38 HB1 LYS 38 40.184 14.862 6.341 305 HG2 LYS 38 HG2 LYS 38 38.055 15.325 7.389 306 HG3 LYS 38 HG1 LYS 38 38.863 16.203 8.690 307 HD2 LYS 38 HD2 LYS 38 39.810 17.724 6.914 308 HD3 LYS 38 HD1 LYS 38 38.710 16.944 5.776 309 HE2 LYS 38 HE2 LYS 38 37.724 18.990 6.594 310 HE3 LYS 38 HE1 LYS 38 36.814 17.609 7.201 311 HZ1 LYS 38 HZ1 LYS 38 37.233 19.331 8.888 312 HZ2 LYS 38 HZ2 LYS 38 38.890 19.067 8.746 313 HZ3 LYS 38 HZ3 LYS 38 37.881 17.833 9.325 314 H GLU 39 HN GLU 39 41.787 12.559 9.871 315 HA GLU 39 HA GLU 39 43.848 11.879 7.955 316 HB2 GLU 39 HB2 GLU 39 45.663 12.654 9.525 317 HB3 GLU 39 HB1 GLU 39 44.779 13.935 8.711 318 HG2 GLU 39 HG2 GLU 39 43.545 14.436 10.694 319 HG3 GLU 39 HG1 GLU 39 44.194 13.018 11.517 320 H ALA 40 HN ALA 40 43.333 9.775 8.168 321 HA ALA 40 HA ALA 40 43.418 7.690 8.918 322 HB1 ALA 40 HB1 ALA 40 45.592 8.172 9.912 323 HB2 ALA 40 HB2 ALA 40 44.678 7.097 10.970 324 HB3 ALA 40 HB3 ALA 40 44.815 8.810 11.361 325 H GLU 41 HN GLU 41 42.289 6.190 10.681 326 HA GLU 41 HA GLU 41 40.412 5.675 11.759 327 HB2 GLU 41 HB2 GLU 41 40.746 8.343 13.146 328 HB3 GLU 41 HB1 GLU 41 39.814 6.969 13.722 329 HG2 GLU 41 HG2 GLU 41 42.797 7.204 13.488 330 HG3 GLU 41 HG1 GLU 41 41.836 7.036 14.953 331 H ARG 42 HN ARG 42 39.159 5.775 9.880 332 HA ARG 42 HA ARG 42 37.597 8.152 9.548 333 HB2 ARG 42 HB2 ARG 42 38.536 6.260 7.381 334 HB3 ARG 42 HB1 ARG 42 37.697 7.784 7.157 335 HG2 ARG 42 HG2 ARG 42 40.496 7.456 8.217 336 HG3 ARG 42 HG1 ARG 42 40.052 7.964 6.589 337 HD2 ARG 42 HD2 ARG 42 39.451 9.430 9.157 338 HD3 ARG 42 HD1 ARG 42 40.656 9.886 7.958 339 HE ARG 42 HE ARG 42 37.735 10.010 7.624 340 HH11 ARG 42 HH11 ARG 42 40.936 10.804 6.451 341 HH12 ARG 42 HH12 ARG 42 40.390 12.070 5.407 342 HH21 ARG 42 HH21 ARG 42 36.990 11.685 6.261 343 HH22 ARG 42 HH22 ARG 42 38.129 12.574 5.295 344 H LYS 43 HN LYS 43 35.725 7.598 8.444 345 HA LYS 43 HA LYS 43 34.075 5.930 9.915 346 HB2 LYS 43 HB2 LYS 43 32.307 6.351 8.261 347 HB3 LYS 43 HB1 LYS 43 33.156 7.815 8.733 348 HG2 LYS 43 HG2 LYS 43 34.453 7.716 6.649 349 HG3 LYS 43 HG1 LYS 43 33.560 6.268 6.177 350 HD2 LYS 43 HD2 LYS 43 31.473 7.545 6.259 351 HD3 LYS 43 HD1 LYS 43 32.382 8.985 6.710 352 HE2 LYS 43 HE2 LYS 43 33.641 8.784 4.576 353 HE3 LYS 43 HE1 LYS 43 32.581 7.449 4.126 354 HZ1 LYS 43 HZ1 LYS 43 31.845 10.280 4.561 355 HZ2 LYS 43 HZ2 LYS 43 30.693 9.056 4.447 356 HZ3 LYS 43 HZ3 LYS 43 31.707 9.387 3.131 357 H ALA 44 HN ALA 44 35.274 5.272 6.585 358 HA ALA 44 HA ALA 44 33.928 2.848 6.272 359 HB1 ALA 44 HB1 ALA 44 35.543 2.319 4.519 360 HB2 ALA 44 HB2 ALA 44 36.605 3.607 5.071 361 HB3 ALA 44 HB3 ALA 44 35.020 3.994 4.389 362 H LEU 45 HN LEU 45 37.158 3.485 7.576 363 HA LEU 45 HA LEU 45 37.747 0.778 8.093 364 HB2 LEU 45 HB2 LEU 45 38.977 3.313 9.179 365 HB3 LEU 45 HB1 LEU 45 39.579 1.713 9.539 366 HG LEU 45 HG LEU 45 39.921 1.401 7.040 367 HD11 LEU 45 HD11 LEU 45 40.147 3.422 5.690 368 HD12 LEU 45 HD12 LEU 45 39.520 4.386 7.026 369 HD13 LEU 45 HD13 LEU 45 38.487 3.193 6.240 370 HD21 LEU 45 HD21 LEU 45 42.028 2.648 7.043 371 HD22 LEU 45 HD22 LEU 45 41.759 1.801 8.567 372 HD23 LEU 45 HD23 LEU 45 41.490 3.541 8.465 373 H GLU 46 HN GLU 46 35.649 2.893 9.737 374 HA GLU 46 HA GLU 46 36.183 1.740 12.361 375 HB2 GLU 46 HB2 GLU 46 35.671 4.165 12.174 376 HB3 GLU 46 HB1 GLU 46 34.067 3.761 11.577 377 HG2 GLU 46 HG2 GLU 46 33.458 2.784 13.661 378 HG3 GLU 46 HG1 GLU 46 35.110 2.906 14.263 379 H ASP 47 HN ASP 47 33.625 1.780 9.945 380 HA ASP 47 HA ASP 47 32.056 -0.188 11.460 381 HB2 ASP 47 HB2 ASP 47 30.923 1.712 10.255 382 HB3 ASP 47 HB1 ASP 47 31.474 1.020 8.732 383 H LYS 48 HN LYS 48 33.945 0.195 8.752 384 HA LYS 48 HA LYS 48 35.194 -1.213 7.360 385 HB2 LYS 48 HB2 LYS 48 35.846 -2.266 9.491 386 HB3 LYS 48 HB1 LYS 48 34.464 -3.344 9.381 387 HG2 LYS 48 HG2 LYS 48 36.556 -4.429 8.710 388 HG3 LYS 48 HG1 LYS 48 35.384 -4.372 7.391 389 HD2 LYS 48 HD2 LYS 48 36.543 -2.411 6.469 390 HD3 LYS 48 HD1 LYS 48 37.725 -2.507 7.776 391 HE2 LYS 48 HE2 LYS 48 38.432 -4.690 7.010 392 HE3 LYS 48 HE1 LYS 48 37.188 -4.679 5.763 393 HZ1 LYS 48 HZ1 LYS 48 38.270 -2.794 4.737 394 HZ2 LYS 48 HZ2 LYS 48 39.355 -4.086 4.885 395 HZ3 LYS 48 HZ3 LYS 48 39.456 -2.778 5.946 396 H LEU 49 HN LEU 49 32.984 -0.707 6.050 397 HA LEU 49 HA LEU 49 31.206 -2.858 5.606 398 HB2 LEU 49 HB2 LEU 49 31.920 -0.492 3.861 399 HB3 LEU 49 HB1 LEU 49 30.651 -1.633 3.488 400 HG LEU 49 HG LEU 49 30.691 0.097 5.957 401 HD11 LEU 49 HD11 LEU 49 30.463 1.455 3.945 402 HD12 LEU 49 HD12 LEU 49 28.943 1.387 4.835 403 HD13 LEU 49 HD13 LEU 49 29.156 0.414 3.380 404 HD21 LEU 49 HD21 LEU 49 28.323 -0.590 6.090 405 HD22 LEU 49 HD22 LEU 49 29.441 -1.940 6.282 406 HD23 LEU 49 HD23 LEU 49 28.596 -1.704 4.751 407 H ALA 50 HN ALA 50 34.096 -1.756 3.903 408 HA ALA 50 HA ALA 50 34.523 -4.417 2.854 409 HB1 ALA 50 HB1 ALA 50 34.657 -3.691 0.535 410 HB2 ALA 50 HB2 ALA 50 34.231 -2.047 1.004 411 HB3 ALA 50 HB3 ALA 50 33.054 -3.349 1.181 412 H ASP 51 HN ASP 51 36.476 -3.669 0.973 413 HA ASP 51 HA ASP 51 38.671 -3.104 2.729 414 HB2 ASP 51 HB2 ASP 51 38.601 -3.411 -0.283 415 HB3 ASP 51 HB1 ASP 51 40.072 -3.257 0.672 416 H TYR 52 HN TYR 52 37.556 -1.505 -0.232 417 HA TYR 52 HA TYR 52 37.540 0.640 -0.922 418 HB2 TYR 52 HB2 TYR 52 36.241 1.091 1.132 419 HB3 TYR 52 HB1 TYR 52 37.737 1.321 2.030 420 HD1 TYR 52 HD1 TYR 52 36.200 2.630 -1.131 421 HD2 TYR 52 HD2 TYR 52 38.287 3.521 2.468 422 HE1 TYR 52 HE1 TYR 52 36.159 5.020 -1.706 423 HE2 TYR 52 HE2 TYR 52 38.253 5.912 1.902 424 HH TYR 52 HH TYR 52 38.073 7.313 -0.145 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -6.597 -10.200 16.509 2 H2 GLY 1 HT2 GLY 1 -5.768 -9.333 15.301 3 H3 GLY 1 HT3 GLY 1 -6.721 -10.661 14.889 4 HA2 GLY 1 HA1 GLY 1 -8.710 -9.546 15.501 5 HA3 GLY 1 HA2 GLY 1 -7.771 -8.184 16.094 6 H SER 2 HN SER 2 -8.106 -6.550 14.757 7 HA SER 2 HA SER 2 -8.152 -7.074 11.878 8 HB2 SER 2 HB2 SER 2 -9.032 -4.626 13.423 9 HB3 SER 2 HB1 SER 2 -9.188 -4.855 11.680 10 HG SER 2 HG SER 2 -11.041 -5.395 13.202 11 H VAL 3 HN VAL 3 -6.278 -5.661 14.390 12 HA VAL 3 HA VAL 3 -4.843 -3.704 13.100 13 HB VAL 3 HB VAL 3 -2.927 -4.243 14.647 14 HG11 VAL 3 HG11 VAL 3 -5.673 -3.965 15.858 15 HG12 VAL 3 HG12 VAL 3 -4.666 -2.657 15.246 16 HG13 VAL 3 HG13 VAL 3 -4.154 -3.575 16.661 17 HG21 VAL 3 HG21 VAL 3 -3.331 -5.885 16.424 18 HG22 VAL 3 HG22 VAL 3 -3.276 -6.653 14.839 19 HG23 VAL 3 HG23 VAL 3 -4.827 -6.375 15.632 20 H GLU 4 HN GLU 4 -4.305 -7.196 12.870 21 HA GLU 4 HA GLU 4 -1.900 -6.834 11.345 22 HB2 GLU 4 HB2 GLU 4 -2.152 -9.294 10.798 23 HB3 GLU 4 HB1 GLU 4 -1.998 -8.900 12.500 24 HG2 GLU 4 HG2 GLU 4 -4.729 -9.185 11.365 25 HG3 GLU 4 HG1 GLU 4 -3.767 -10.640 11.617 26 H LYS 5 HN LYS 5 -5.263 -7.556 10.558 27 HA LYS 5 HA LYS 5 -6.480 -7.331 8.639 28 HB2 LYS 5 HB2 LYS 5 -5.539 -5.009 8.740 29 HB3 LYS 5 HB1 LYS 5 -4.211 -5.535 7.720 30 HG2 LYS 5 HG2 LYS 5 -5.774 -6.004 5.907 31 HG3 LYS 5 HG1 LYS 5 -7.125 -5.528 6.933 32 HD2 LYS 5 HD2 LYS 5 -6.387 -3.269 6.997 33 HD3 LYS 5 HD1 LYS 5 -4.835 -3.690 6.269 34 HE2 LYS 5 HE2 LYS 5 -6.325 -2.623 4.646 35 HE3 LYS 5 HE1 LYS 5 -5.951 -4.280 4.188 36 HZ1 LYS 5 HZ1 LYS 5 -8.285 -3.758 3.871 37 HZ2 LYS 5 HZ2 LYS 5 -8.461 -3.385 5.507 38 HZ3 LYS 5 HZ3 LYS 5 -8.106 -4.967 5.032 39 H LEU 6 HN LEU 6 -4.489 -9.418 8.951 40 HA LEU 6 HA LEU 6 -3.764 -11.265 7.818 41 HB2 LEU 6 HB2 LEU 6 -5.169 -10.051 5.434 42 HB3 LEU 6 HB1 LEU 6 -4.608 -11.705 5.560 43 HG LEU 6 HG LEU 6 -6.805 -10.458 7.215 44 HD11 LEU 6 HD11 LEU 6 -8.281 -11.953 5.975 45 HD12 LEU 6 HD12 LEU 6 -6.917 -12.491 4.997 46 HD13 LEU 6 HD13 LEU 6 -7.463 -10.817 4.903 47 HD21 LEU 6 HD21 LEU 6 -5.596 -12.145 8.482 48 HD22 LEU 6 HD22 LEU 6 -5.762 -13.288 7.149 49 HD23 LEU 6 HD23 LEU 6 -7.191 -12.741 8.026 50 H THR 7 HN THR 7 -2.171 -8.764 7.921 51 HA THR 7 HA THR 7 -0.254 -9.491 5.915 52 HB THR 7 HB THR 7 -1.186 -6.636 6.281 53 HG1 THR 7 HG1 THR 7 -2.154 -8.619 4.758 54 HG21 THR 7 HG21 THR 7 1.203 -6.845 5.752 55 HG22 THR 7 HG22 THR 7 0.312 -6.181 4.383 56 HG23 THR 7 HG23 THR 7 0.813 -7.871 4.373 57 H ALA 8 HN ALA 8 1.087 -10.156 7.756 58 HA ALA 8 HA ALA 8 1.760 -8.087 9.696 59 HB1 ALA 8 HB1 ALA 8 1.327 -10.390 10.523 60 HB2 ALA 8 HB2 ALA 8 2.945 -9.815 10.914 61 HB3 ALA 8 HB3 ALA 8 2.719 -10.959 9.596 62 H ASP 9 HN ASP 9 2.825 -9.499 6.826 63 HA ASP 9 HA ASP 9 5.582 -9.258 6.848 64 HB2 ASP 9 HB2 ASP 9 3.773 -8.568 4.523 65 HB3 ASP 9 HB1 ASP 9 5.457 -9.067 4.431 66 H ALA 10 HN ALA 10 3.114 -6.869 6.400 67 HA ALA 10 HA ALA 10 4.542 -4.630 5.627 68 HB1 ALA 10 HB1 ALA 10 2.869 -3.258 6.762 69 HB2 ALA 10 HB2 ALA 10 2.305 -4.660 7.663 70 HB3 ALA 10 HB3 ALA 10 2.106 -4.596 5.909 71 H GLU 11 HN GLU 11 4.325 -5.981 8.899 72 HA GLU 11 HA GLU 11 5.898 -3.812 10.010 73 HB2 GLU 11 HB2 GLU 11 4.863 -6.352 11.293 74 HB3 GLU 11 HB1 GLU 11 5.689 -5.055 12.140 75 HG2 GLU 11 HG2 GLU 11 3.904 -3.513 11.596 76 HG3 GLU 11 HG1 GLU 11 3.075 -4.762 10.671 77 H LEU 12 HN LEU 12 6.382 -6.936 8.726 78 HA LEU 12 HA LEU 12 8.934 -7.495 9.907 79 HB2 LEU 12 HB2 LEU 12 7.491 -8.594 7.492 80 HB3 LEU 12 HB1 LEU 12 9.175 -8.957 7.748 81 HG LEU 12 HG LEU 12 8.723 -10.167 9.753 82 HD11 LEU 12 HD11 LEU 12 7.012 -8.716 10.714 83 HD12 LEU 12 HD12 LEU 12 6.495 -10.402 10.704 84 HD13 LEU 12 HD13 LEU 12 5.856 -9.277 9.507 85 HD21 LEU 12 HD21 LEU 12 8.330 -11.351 7.655 86 HD22 LEU 12 HD22 LEU 12 6.641 -10.839 7.683 87 HD23 LEU 12 HD23 LEU 12 7.255 -11.928 8.928 88 H GLN 13 HN GLN 13 7.928 -6.207 6.774 89 HA GLN 13 HA GLN 13 10.522 -5.628 5.826 90 HB2 GLN 13 HB2 GLN 13 7.879 -4.361 5.090 91 HB3 GLN 13 HB1 GLN 13 9.379 -4.153 4.202 92 HG2 GLN 13 HG2 GLN 13 9.426 -6.520 3.677 93 HG3 GLN 13 HG1 GLN 13 7.951 -6.769 4.614 94 HE21 GLN 13 HE21 GLN 13 6.002 -6.050 3.798 95 HE22 GLN 13 HE22 GLN 13 5.800 -5.597 2.143 96 H ARG 14 HN ARG 14 8.335 -3.924 7.920 97 HA ARG 14 HA ARG 14 9.766 -1.446 7.699 98 HB2 ARG 14 HB2 ARG 14 7.328 -1.522 8.298 99 HB3 ARG 14 HB1 ARG 14 7.793 -2.173 9.871 100 HG2 ARG 14 HG2 ARG 14 9.153 -0.163 10.266 101 HG3 ARG 14 HG1 ARG 14 8.595 0.490 8.731 102 HD2 ARG 14 HD2 ARG 14 6.268 0.353 9.598 103 HD3 ARG 14 HD1 ARG 14 6.926 -0.141 11.159 104 HE ARG 14 HE ARG 14 7.322 2.472 9.872 105 HH11 ARG 14 HH11 ARG 14 7.445 0.452 12.739 106 HH12 ARG 14 HH12 ARG 14 7.796 1.763 13.804 107 HH21 ARG 14 HH21 ARG 14 7.804 4.207 11.281 108 HH22 ARG 14 HH22 ARG 14 8.009 3.913 12.971 109 H LEU 15 HN LEU 15 10.064 -4.324 9.665 110 HA LEU 15 HA LEU 15 11.451 -3.137 11.813 111 HB2 LEU 15 HB2 LEU 15 10.405 -5.418 11.810 112 HB3 LEU 15 HB1 LEU 15 11.700 -5.959 10.758 113 HG LEU 15 HG LEU 15 13.317 -5.353 12.566 114 HD11 LEU 15 HD11 LEU 15 10.785 -4.981 14.154 115 HD12 LEU 15 HD12 LEU 15 11.992 -3.749 13.785 116 HD13 LEU 15 HD13 LEU 15 12.402 -5.097 14.845 117 HD21 LEU 15 HD21 LEU 15 12.826 -7.321 13.940 118 HD22 LEU 15 HD22 LEU 15 12.596 -7.657 12.224 119 HD23 LEU 15 HD23 LEU 15 11.199 -7.385 13.264 120 H LYS 16 HN LYS 16 12.407 -4.518 8.736 121 HA LYS 16 HA LYS 16 15.216 -4.192 9.131 122 HB2 LYS 16 HB2 LYS 16 14.347 -5.756 7.428 123 HB3 LYS 16 HB1 LYS 16 13.653 -4.412 6.532 124 HG2 LYS 16 HG2 LYS 16 15.867 -3.543 6.074 125 HG3 LYS 16 HG1 LYS 16 16.586 -4.833 7.039 126 HD2 LYS 16 HD2 LYS 16 15.748 -6.502 5.493 127 HD3 LYS 16 HD1 LYS 16 14.912 -5.256 4.566 128 HE2 LYS 16 HE2 LYS 16 17.023 -5.946 3.504 129 HE3 LYS 16 HE1 LYS 16 17.026 -4.244 3.957 130 HZ1 LYS 16 HZ1 LYS 16 18.325 -6.448 5.463 131 HZ2 LYS 16 HZ2 LYS 16 18.308 -4.826 5.935 132 HZ3 LYS 16 HZ3 LYS 16 19.115 -5.285 4.529 133 H ASN 17 HN ASN 17 12.638 -2.186 8.000 134 HA ASN 17 HA ASN 17 14.208 -0.068 6.906 135 HB2 ASN 17 HB2 ASN 17 11.813 -0.208 6.369 136 HB3 ASN 17 HB1 ASN 17 11.398 0.023 8.066 137 HD21 ASN 17 HD21 ASN 17 12.514 1.533 5.160 138 HD22 ASN 17 HD22 ASN 17 12.319 3.164 5.694 139 H GLU 18 HN GLU 18 12.735 -0.618 10.076 140 HA GLU 18 HA GLU 18 13.562 1.667 11.403 141 HB2 GLU 18 HB2 GLU 18 13.056 -1.149 12.305 142 HB3 GLU 18 HB1 GLU 18 13.636 0.058 13.443 143 HG2 GLU 18 HG2 GLU 18 11.138 0.352 11.793 144 HG3 GLU 18 HG1 GLU 18 11.176 -0.263 13.446 145 H ARG 19 HN ARG 19 15.284 -1.369 10.875 146 HA ARG 19 HA ARG 19 17.572 -0.618 12.369 147 HB2 ARG 19 HB2 ARG 19 17.149 -2.984 11.855 148 HB3 ARG 19 HB1 ARG 19 17.387 -2.666 10.140 149 HG2 ARG 19 HG2 ARG 19 19.697 -2.161 10.483 150 HG3 ARG 19 HG1 ARG 19 19.501 -2.226 12.235 151 HD2 ARG 19 HD2 ARG 19 19.019 -4.593 12.126 152 HD3 ARG 19 HD1 ARG 19 19.079 -4.554 10.366 153 HE ARG 19 HE ARG 19 21.497 -3.755 10.809 154 HH11 ARG 19 HH11 ARG 19 19.762 -6.133 12.722 155 HH12 ARG 19 HH12 ARG 19 21.183 -7.013 13.155 156 HH21 ARG 19 HH21 ARG 19 23.403 -4.922 11.409 157 HH22 ARG 19 HH22 ARG 19 23.269 -6.321 12.418 158 H HIS 20 HN HIS 20 16.760 -0.310 8.917 159 HA HIS 20 HA HIS 20 19.235 0.710 8.055 160 HB2 HIS 20 HB2 HIS 20 16.443 1.250 7.010 161 HB3 HIS 20 HB1 HIS 20 17.900 1.842 6.229 162 HD1 HIS 20 HD1 HIS 20 16.430 0.220 4.390 163 HD2 HIS 20 HD2 HIS 20 18.868 -1.577 7.239 164 HE1 HIS 20 HE1 HIS 20 16.895 -2.078 3.517 165 H GLU 21 HN GLU 21 16.414 2.314 9.392 166 HA GLU 21 HA GLU 21 17.236 4.983 9.156 167 HB2 GLU 21 HB2 GLU 21 14.953 4.341 9.844 168 HB3 GLU 21 HB1 GLU 21 15.572 3.711 11.364 169 HG2 GLU 21 HG2 GLU 21 14.547 5.841 11.715 170 HG3 GLU 21 HG1 GLU 21 16.285 5.977 11.975 171 H GLU 22 HN GLU 22 17.792 2.652 11.710 172 HA GLU 22 HA GLU 22 19.404 4.442 13.291 173 HB2 GLU 22 HB2 GLU 22 18.998 1.454 13.535 174 HB3 GLU 22 HB1 GLU 22 19.897 2.433 14.682 175 HG2 GLU 22 HG2 GLU 22 17.854 3.749 15.117 176 HG3 GLU 22 HG1 GLU 22 16.964 2.677 14.041 177 H ALA 23 HN ALA 23 19.984 2.401 10.656 178 HA ALA 23 HA ALA 23 22.791 1.904 11.184 179 HB1 ALA 23 HB1 ALA 23 21.205 1.509 8.630 180 HB2 ALA 23 HB2 ALA 23 21.517 0.277 9.857 181 HB3 ALA 23 HB3 ALA 23 22.847 0.950 8.921 182 H GLU 24 HN GLU 24 20.842 4.094 9.310 183 HA GLU 24 HA GLU 24 22.958 5.364 7.917 184 HB2 GLU 24 HB2 GLU 24 20.407 5.556 7.467 185 HB3 GLU 24 HB1 GLU 24 20.424 6.782 8.730 186 HG2 GLU 24 HG2 GLU 24 20.546 7.798 6.555 187 HG3 GLU 24 HG1 GLU 24 22.050 8.067 7.436 188 H LEU 25 HN LEU 25 21.362 5.995 10.972 189 HA LEU 25 HA LEU 25 22.762 8.292 11.728 190 HB2 LEU 25 HB2 LEU 25 21.653 6.108 13.486 191 HB3 LEU 25 HB1 LEU 25 22.120 7.707 14.029 192 HG LEU 25 HG LEU 25 19.884 7.115 12.090 193 HD11 LEU 25 HD11 LEU 25 18.404 7.751 13.921 194 HD12 LEU 25 HD12 LEU 25 19.794 7.912 14.994 195 HD13 LEU 25 HD13 LEU 25 19.368 6.334 14.335 196 HD21 LEU 25 HD21 LEU 25 19.298 9.480 12.436 197 HD22 LEU 25 HD22 LEU 25 20.879 9.291 11.682 198 HD23 LEU 25 HD23 LEU 25 20.762 9.690 13.396 199 H GLU 26 HN GLU 26 23.541 4.855 12.188 200 HA GLU 26 HA GLU 26 25.837 5.268 13.770 201 HB2 GLU 26 HB2 GLU 26 25.057 2.954 11.992 202 HB3 GLU 26 HB1 GLU 26 26.478 2.943 13.025 203 HG2 GLU 26 HG2 GLU 26 23.602 3.130 13.913 204 HG3 GLU 26 HG1 GLU 26 24.691 1.760 14.100 205 H ARG 27 HN ARG 27 25.393 4.970 10.278 206 HA ARG 27 HA ARG 27 28.189 5.124 9.702 207 HB2 ARG 27 HB2 ARG 27 26.507 4.180 8.092 208 HB3 ARG 27 HB1 ARG 27 25.921 5.817 7.813 209 HG2 ARG 27 HG2 ARG 27 28.018 6.472 6.864 210 HG3 ARG 27 HG1 ARG 27 28.754 4.934 7.316 211 HD2 ARG 27 HD2 ARG 27 26.528 5.349 5.326 212 HD3 ARG 27 HD1 ARG 27 28.200 4.939 4.955 213 HE ARG 27 HE ARG 27 26.124 3.167 5.910 214 HH11 ARG 27 HH11 ARG 27 29.588 3.607 5.478 215 HH12 ARG 27 HH12 ARG 27 29.943 1.919 5.534 216 HH21 ARG 27 HH21 ARG 27 26.594 0.926 5.965 217 HH22 ARG 27 HH22 ARG 27 28.228 0.379 5.806 218 H LEU 28 HN LEU 28 25.758 7.431 10.386 219 HA LEU 28 HA LEU 28 27.172 9.724 9.362 220 HB2 LEU 28 HB2 LEU 28 24.700 9.734 9.722 221 HB3 LEU 28 HB1 LEU 28 24.970 9.610 11.450 222 HG LEU 28 HG LEU 28 26.063 11.813 11.425 223 HD11 LEU 28 HD11 LEU 28 25.847 13.218 9.414 224 HD12 LEU 28 HD12 LEU 28 25.280 11.810 8.517 225 HD13 LEU 28 HD13 LEU 28 26.917 11.838 9.171 226 HD21 LEU 28 HD21 LEU 28 23.311 11.759 10.191 227 HD22 LEU 28 HD22 LEU 28 24.034 13.127 11.039 228 HD23 LEU 28 HD23 LEU 28 23.679 11.635 11.912 229 H LYS 29 HN LYS 29 27.196 7.798 12.181 230 HA LYS 29 HA LYS 29 28.715 9.660 13.804 231 HB2 LYS 29 HB2 LYS 29 27.093 8.152 14.886 232 HB3 LYS 29 HB1 LYS 29 27.952 6.760 14.250 233 HG2 LYS 29 HG2 LYS 29 29.886 7.315 15.624 234 HG3 LYS 29 HG1 LYS 29 29.034 8.725 16.258 235 HD2 LYS 29 HD2 LYS 29 28.937 6.782 17.791 236 HD3 LYS 29 HD1 LYS 29 27.341 7.302 17.251 237 HE2 LYS 29 HE2 LYS 29 27.338 5.509 15.568 238 HE3 LYS 29 HE1 LYS 29 28.923 4.985 16.132 239 HZ1 LYS 29 HZ1 LYS 29 26.521 5.093 17.851 240 HZ2 LYS 29 HZ2 LYS 29 27.998 4.347 18.202 241 HZ3 LYS 29 HZ3 LYS 29 26.984 3.715 16.994 242 H SER 30 HN SER 30 29.226 7.210 11.513 243 HA SER 30 HA SER 30 31.668 6.100 12.203 244 HB2 SER 30 HB2 SER 30 30.352 5.250 10.320 245 HB3 SER 30 HB1 SER 30 30.648 6.737 9.416 246 HG SER 30 HG SER 30 32.160 4.527 9.661 247 H GLU 31 HN GLU 31 31.108 9.015 10.230 248 HA GLU 31 HA GLU 31 33.791 9.630 9.747 249 HB2 GLU 31 HB2 GLU 31 31.836 10.672 8.613 250 HB3 GLU 31 HB1 GLU 31 31.532 11.597 10.076 251 HG2 GLU 31 HG2 GLU 31 33.712 12.663 9.863 252 HG3 GLU 31 HG1 GLU 31 34.022 11.733 8.398 253 H ARG 32 HN ARG 32 31.658 10.642 12.374 254 HA ARG 32 HA ARG 32 33.579 12.245 13.673 255 HB2 ARG 32 HB2 ARG 32 31.217 12.539 14.144 256 HB3 ARG 32 HB1 ARG 32 31.098 10.895 14.754 257 HG2 ARG 32 HG2 ARG 32 32.345 11.407 16.682 258 HG3 ARG 32 HG1 ARG 32 32.906 12.936 16.009 259 HD2 ARG 32 HD2 ARG 32 31.199 13.335 17.676 260 HD3 ARG 32 HD1 ARG 32 30.611 13.794 16.082 261 HE ARG 32 HE ARG 32 29.663 11.302 16.312 262 HH11 ARG 32 HH11 ARG 32 29.607 14.022 18.523 263 HH12 ARG 32 HH12 ARG 32 28.114 13.575 19.266 264 HH21 ARG 32 HH21 ARG 32 27.635 10.693 17.301 265 HH22 ARG 32 HH22 ARG 32 27.000 11.671 18.577 266 H HIS 33 HN HIS 33 32.775 8.847 13.827 267 HA HIS 33 HA HIS 33 34.204 8.166 16.140 268 HB2 HIS 33 HB2 HIS 33 32.587 6.646 15.092 269 HB3 HIS 33 HB1 HIS 33 33.629 6.487 13.686 270 HD1 HIS 33 HD1 HIS 33 33.340 5.443 17.272 271 HD2 HIS 33 HD2 HIS 33 35.729 4.665 13.967 272 HE1 HIS 33 HE1 HIS 33 34.735 3.463 17.911 273 H ASP 34 HN ASP 34 35.200 8.208 12.738 274 HA ASP 34 HA ASP 34 37.817 7.247 13.199 275 HB2 ASP 34 HB2 ASP 34 36.767 8.936 10.915 276 HB3 ASP 34 HB1 ASP 34 38.353 8.184 10.953 277 H HIS 35 HN HIS 35 36.570 10.557 12.822 278 HA HIS 35 HA HIS 35 39.150 11.723 13.209 279 HB2 HIS 35 HB2 HIS 35 36.417 13.008 13.214 280 HB3 HIS 35 HB1 HIS 35 37.940 13.887 13.266 281 HD2 HIS 35 HD2 HIS 35 35.560 13.510 10.675 282 HE1 HIS 35 HE1 HIS 35 39.127 12.430 8.659 283 HE2 HIS 35 HE2 HIS 35 36.840 13.432 8.437 284 H ASP 36 HN ASP 36 36.787 10.552 15.315 285 HA ASP 36 HA ASP 36 37.272 12.198 17.587 286 HB2 ASP 36 HB2 ASP 36 35.280 10.836 17.600 287 HB3 ASP 36 HB1 ASP 36 36.220 9.361 17.382 288 H LYS 37 HN LYS 37 38.755 9.332 16.312 289 HA LYS 37 HA LYS 37 40.696 9.377 18.510 290 HB2 LYS 37 HB2 LYS 37 39.940 7.136 16.628 291 HB3 LYS 37 HB1 LYS 37 41.169 7.029 17.886 292 HG2 LYS 37 HG2 LYS 37 39.602 7.202 19.609 293 HG3 LYS 37 HG1 LYS 37 38.356 7.827 18.533 294 HD2 LYS 37 HD2 LYS 37 38.241 5.636 17.430 295 HD3 LYS 37 HD1 LYS 37 39.459 5.023 18.552 296 HE2 LYS 37 HE2 LYS 37 37.165 4.425 19.239 297 HE3 LYS 37 HE1 LYS 37 37.988 5.426 20.432 298 HZ1 LYS 37 HZ1 LYS 37 35.688 6.130 20.063 299 HZ2 LYS 37 HZ2 LYS 37 36.013 6.431 18.440 300 HZ3 LYS 37 HZ3 LYS 37 36.763 7.361 19.632 301 H LYS 38 HN LYS 38 40.295 10.560 15.602 302 HA LYS 38 HA LYS 38 41.574 11.564 14.054 303 HB2 LYS 38 HB2 LYS 38 43.854 11.009 15.964 304 HB3 LYS 38 HB1 LYS 38 43.933 12.086 14.580 305 HG2 LYS 38 HG2 LYS 38 42.115 12.419 16.960 306 HG3 LYS 38 HG1 LYS 38 43.628 13.284 16.693 307 HD2 LYS 38 HD2 LYS 38 41.239 13.392 14.847 308 HD3 LYS 38 HD1 LYS 38 41.603 14.591 16.085 309 HE2 LYS 38 HE2 LYS 38 43.714 15.111 14.989 310 HE3 LYS 38 HE1 LYS 38 43.402 13.874 13.772 311 HZ1 LYS 38 HZ1 LYS 38 41.476 15.110 13.042 312 HZ2 LYS 38 HZ2 LYS 38 42.849 16.090 12.978 313 HZ3 LYS 38 HZ3 LYS 38 41.732 16.281 14.234 314 H GLU 39 HN GLU 39 43.461 8.785 15.162 315 HA GLU 39 HA GLU 39 44.508 8.381 12.491 316 HB2 GLU 39 HB2 GLU 39 45.958 6.727 13.451 317 HB3 GLU 39 HB1 GLU 39 45.944 8.130 14.506 318 HG2 GLU 39 HG2 GLU 39 44.282 6.891 15.964 319 HG3 GLU 39 HG1 GLU 39 44.565 5.491 14.940 320 H ALA 40 HN ALA 40 41.673 7.531 13.906 321 HA ALA 40 HA ALA 40 40.088 5.902 13.599 322 HB1 ALA 40 HB1 ALA 40 39.857 5.084 11.305 323 HB2 ALA 40 HB2 ALA 40 41.472 5.681 10.926 324 HB3 ALA 40 HB3 ALA 40 40.189 6.815 11.341 325 H GLU 41 HN GLU 41 41.789 4.809 15.282 326 HA GLU 41 HA GLU 41 43.572 2.859 14.720 327 HB2 GLU 41 HB2 GLU 41 41.561 2.827 16.957 328 HB3 GLU 41 HB1 GLU 41 43.056 1.907 16.908 329 HG2 GLU 41 HG2 GLU 41 44.318 4.016 16.834 330 HG3 GLU 41 HG1 GLU 41 42.799 4.898 16.974 331 H ARG 42 HN ARG 42 40.059 2.476 14.550 332 HA ARG 42 HA ARG 42 40.309 0.110 13.120 333 HB2 ARG 42 HB2 ARG 42 39.007 -1.287 14.769 334 HB3 ARG 42 HB1 ARG 42 40.672 -0.967 15.227 335 HG2 ARG 42 HG2 ARG 42 39.868 0.842 16.712 336 HG3 ARG 42 HG1 ARG 42 38.212 0.390 16.309 337 HD2 ARG 42 HD2 ARG 42 40.243 -1.463 17.531 338 HD3 ARG 42 HD1 ARG 42 39.043 -0.570 18.455 339 HE ARG 42 HE ARG 42 38.474 -2.715 16.517 340 HH11 ARG 42 HH11 ARG 42 37.486 -0.688 19.208 341 HH12 ARG 42 HH12 ARG 42 36.097 -1.649 19.587 342 HH21 ARG 42 HH21 ARG 42 36.616 -3.995 17.022 343 HH22 ARG 42 HH22 ARG 42 35.598 -3.527 18.342 344 H LYS 43 HN LYS 43 38.806 0.253 11.830 345 HA LYS 43 HA LYS 43 36.509 1.959 12.212 346 HB2 LYS 43 HB2 LYS 43 37.177 0.234 9.829 347 HB3 LYS 43 HB1 LYS 43 36.006 1.545 9.885 348 HG2 LYS 43 HG2 LYS 43 37.902 3.100 10.400 349 HG3 LYS 43 HG1 LYS 43 39.001 1.756 10.091 350 HD2 LYS 43 HD2 LYS 43 38.888 2.978 8.072 351 HD3 LYS 43 HD1 LYS 43 37.884 1.546 7.827 352 HE2 LYS 43 HE2 LYS 43 36.720 3.453 6.950 353 HE3 LYS 43 HE1 LYS 43 35.892 2.917 8.408 354 HZ1 LYS 43 HZ1 LYS 43 36.093 5.300 8.411 355 HZ2 LYS 43 HZ2 LYS 43 37.756 5.214 8.192 356 HZ3 LYS 43 HZ3 LYS 43 37.071 4.692 9.641 357 H ALA 44 HN ALA 44 37.257 -1.305 12.745 358 HA ALA 44 HA ALA 44 34.985 -2.688 12.044 359 HB1 ALA 44 HB1 ALA 44 37.046 -3.767 12.828 360 HB2 ALA 44 HB2 ALA 44 35.627 -4.338 13.696 361 HB3 ALA 44 HB3 ALA 44 36.717 -3.190 14.466 362 H LEU 45 HN LEU 45 35.086 -0.179 14.327 363 HA LEU 45 HA LEU 45 33.011 -1.361 15.997 364 HB2 LEU 45 HB2 LEU 45 35.058 -0.098 16.931 365 HB3 LEU 45 HB1 LEU 45 34.273 1.357 16.359 366 HG LEU 45 HG LEU 45 32.876 -0.500 18.280 367 HD11 LEU 45 HD11 LEU 45 34.757 1.750 18.976 368 HD12 LEU 45 HD12 LEU 45 35.009 0.035 19.298 369 HD13 LEU 45 HD13 LEU 45 33.707 0.903 20.110 370 HD21 LEU 45 HD21 LEU 45 31.685 1.542 18.909 371 HD22 LEU 45 HD22 LEU 45 31.521 1.220 17.184 372 HD23 LEU 45 HD23 LEU 45 32.638 2.464 17.746 373 H GLU 46 HN GLU 46 33.569 1.071 13.532 374 HA GLU 46 HA GLU 46 30.921 2.205 13.855 375 HB2 GLU 46 HB2 GLU 46 31.516 3.662 11.931 376 HB3 GLU 46 HB1 GLU 46 32.667 3.769 13.246 377 HG2 GLU 46 HG2 GLU 46 33.965 3.786 11.297 378 HG3 GLU 46 HG1 GLU 46 34.111 2.145 11.914 379 H ASP 47 HN ASP 47 32.511 -0.150 11.983 380 HA ASP 47 HA ASP 47 30.850 -0.453 9.794 381 HB2 ASP 47 HB2 ASP 47 32.870 -1.794 10.016 382 HB3 ASP 47 HB1 ASP 47 32.167 -2.669 11.376 383 H LYS 48 HN LYS 48 30.428 -1.960 12.990 384 HA LYS 48 HA LYS 48 28.113 -3.281 12.592 385 HB2 LYS 48 HB2 LYS 48 29.383 -3.338 14.700 386 HB3 LYS 48 HB1 LYS 48 28.838 -1.708 15.078 387 HG2 LYS 48 HG2 LYS 48 26.589 -2.453 15.345 388 HG3 LYS 48 HG1 LYS 48 26.993 -4.054 14.727 389 HD2 LYS 48 HD2 LYS 48 26.851 -4.192 17.117 390 HD3 LYS 48 HD1 LYS 48 28.548 -4.337 16.657 391 HE2 LYS 48 HE2 LYS 48 28.458 -2.888 18.539 392 HE3 LYS 48 HE1 LYS 48 28.777 -1.878 17.133 393 HZ1 LYS 48 HZ1 LYS 48 26.139 -2.256 18.439 394 HZ2 LYS 48 HZ2 LYS 48 26.423 -1.298 17.078 395 HZ3 LYS 48 HZ3 LYS 48 27.118 -0.884 18.559 396 H LEU 49 HN LEU 49 25.991 -2.530 11.895 397 HA LEU 49 HA LEU 49 25.432 0.331 12.179 398 HB2 LEU 49 HB2 LEU 49 24.207 -1.724 10.336 399 HB3 LEU 49 HB1 LEU 49 23.832 -0.016 10.362 400 HG LEU 49 HG LEU 49 26.540 -1.149 9.665 401 HD11 LEU 49 HD11 LEU 49 25.984 -0.565 7.361 402 HD12 LEU 49 HD12 LEU 49 24.359 -0.105 7.868 403 HD13 LEU 49 HD13 LEU 49 24.882 -1.783 8.003 404 HD21 LEU 49 HD21 LEU 49 26.653 1.109 10.569 405 HD22 LEU 49 HD22 LEU 49 25.409 1.641 9.438 406 HD23 LEU 49 HD23 LEU 49 26.983 1.121 8.836 407 H ALA 50 HN ALA 50 25.053 -2.027 13.991 408 HA ALA 50 HA ALA 50 23.026 -1.419 15.642 409 HB1 ALA 50 HB1 ALA 50 21.027 -2.734 15.042 410 HB2 ALA 50 HB2 ALA 50 21.782 -3.174 13.509 411 HB3 ALA 50 HB3 ALA 50 21.376 -1.493 13.842 412 H ASP 51 HN ASP 51 22.491 -4.556 14.295 413 HA ASP 51 HA ASP 51 22.777 -6.652 15.076 414 HB2 ASP 51 HB2 ASP 51 25.467 -5.523 15.886 415 HB3 ASP 51 HB1 ASP 51 25.065 -7.235 15.946 416 H TYR 52 HN TYR 52 24.059 -7.693 17.333 417 HA TYR 52 HA TYR 52 23.782 -8.124 19.511 418 HB2 TYR 52 HB2 TYR 52 24.622 -5.783 19.801 419 HB3 TYR 52 HB1 TYR 52 22.956 -5.224 19.803 420 HD1 TYR 52 HD1 TYR 52 24.915 -7.902 21.527 421 HD2 TYR 52 HD2 TYR 52 22.145 -4.697 21.898 422 HE1 TYR 52 HE1 TYR 52 24.827 -8.269 23.950 423 HE2 TYR 52 HE2 TYR 52 22.049 -5.059 24.329 424 HH TYR 52 HH TYR 52 24.277 -7.060 25.967 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -2.971 -5.742 16.286 2 H2 GLY 1 HT2 GLY 1 -4.332 -6.406 17.044 3 H3 GLY 1 HT3 GLY 1 -4.264 -4.752 16.721 4 HA2 GLY 1 HA1 GLY 1 -4.286 -6.860 14.655 5 HA3 GLY 1 HA2 GLY 1 -5.703 -5.957 15.171 6 H SER 2 HN SER 2 -2.480 -5.617 13.751 7 HA SER 2 HA SER 2 -3.217 -2.987 12.713 8 HB2 SER 2 HB2 SER 2 -0.585 -4.481 12.599 9 HB3 SER 2 HB1 SER 2 -0.849 -2.823 12.060 10 HG SER 2 HG SER 2 -0.032 -3.404 14.351 11 H VAL 3 HN VAL 3 -4.355 -5.596 11.760 12 HA VAL 3 HA VAL 3 -4.870 -6.705 9.835 13 HB VAL 3 HB VAL 3 -3.845 -4.280 8.325 14 HG11 VAL 3 HG11 VAL 3 -5.632 -4.839 6.743 15 HG12 VAL 3 HG12 VAL 3 -6.102 -6.205 7.754 16 HG13 VAL 3 HG13 VAL 3 -4.524 -6.196 6.965 17 HG21 VAL 3 HG21 VAL 3 -6.528 -4.575 9.683 18 HG22 VAL 3 HG22 VAL 3 -6.069 -3.267 8.593 19 HG23 VAL 3 HG23 VAL 3 -5.246 -3.454 10.142 20 H GLU 4 HN GLU 4 -2.310 -7.137 11.016 21 HA GLU 4 HA GLU 4 -0.341 -7.116 8.903 22 HB2 GLU 4 HB2 GLU 4 1.202 -7.875 10.606 23 HB3 GLU 4 HB1 GLU 4 0.291 -6.506 11.213 24 HG2 GLU 4 HG2 GLU 4 -0.299 -9.389 11.874 25 HG3 GLU 4 HG1 GLU 4 0.645 -8.294 12.877 26 H LYS 5 HN LYS 5 -2.650 -9.201 10.304 27 HA LYS 5 HA LYS 5 -1.509 -11.675 9.667 28 HB2 LYS 5 HB2 LYS 5 -4.397 -10.831 9.861 29 HB3 LYS 5 HB1 LYS 5 -3.862 -12.505 9.731 30 HG2 LYS 5 HG2 LYS 5 -2.762 -12.416 11.819 31 HG3 LYS 5 HG1 LYS 5 -2.920 -10.663 11.905 32 HD2 LYS 5 HD2 LYS 5 -5.336 -10.883 12.108 33 HD3 LYS 5 HD1 LYS 5 -5.194 -12.639 11.981 34 HE2 LYS 5 HE2 LYS 5 -5.428 -11.835 14.316 35 HE3 LYS 5 HE1 LYS 5 -3.946 -12.742 14.030 36 HZ1 LYS 5 HZ1 LYS 5 -4.119 -9.776 14.051 37 HZ2 LYS 5 HZ2 LYS 5 -2.706 -10.698 13.939 38 HZ3 LYS 5 HZ3 LYS 5 -3.616 -10.718 15.360 39 H LEU 6 HN LEU 6 -2.988 -9.258 7.680 40 HA LEU 6 HA LEU 6 -3.495 -10.924 5.423 41 HB2 LEU 6 HB2 LEU 6 -4.613 -8.744 5.705 42 HB3 LEU 6 HB1 LEU 6 -3.066 -7.925 5.583 43 HG LEU 6 HG LEU 6 -2.870 -8.811 3.251 44 HD11 LEU 6 HD11 LEU 6 -4.404 -10.689 3.460 45 HD12 LEU 6 HD12 LEU 6 -4.888 -9.611 2.153 46 HD13 LEU 6 HD13 LEU 6 -5.750 -9.575 3.690 47 HD21 LEU 6 HD21 LEU 6 -4.424 -7.181 2.309 48 HD22 LEU 6 HD22 LEU 6 -3.593 -6.528 3.722 49 HD23 LEU 6 HD23 LEU 6 -5.262 -7.081 3.858 50 H THR 7 HN THR 7 -0.766 -8.954 6.511 51 HA THR 7 HA THR 7 0.967 -10.346 4.710 52 HB THR 7 HB THR 7 0.855 -7.322 4.760 53 HG1 THR 7 HG1 THR 7 -0.707 -8.918 3.461 54 HG21 THR 7 HG21 THR 7 3.112 -8.245 4.435 55 HG22 THR 7 HG22 THR 7 2.516 -7.484 2.959 56 HG23 THR 7 HG23 THR 7 2.512 -9.241 3.109 57 H ALA 8 HN ALA 8 2.034 -11.169 6.640 58 HA ALA 8 HA ALA 8 2.729 -9.545 8.843 59 HB1 ALA 8 HB1 ALA 8 4.171 -11.384 9.553 60 HB2 ALA 8 HB2 ALA 8 4.027 -12.144 7.974 61 HB3 ALA 8 HB3 ALA 8 2.612 -12.006 9.023 62 H ASP 9 HN ASP 9 4.125 -10.159 5.802 63 HA ASP 9 HA ASP 9 6.794 -9.428 6.190 64 HB2 ASP 9 HB2 ASP 9 5.020 -9.075 3.763 65 HB3 ASP 9 HB1 ASP 9 6.739 -8.707 3.763 66 H ALA 10 HN ALA 10 3.908 -7.481 5.826 67 HA ALA 10 HA ALA 10 4.942 -4.967 5.413 68 HB1 ALA 10 HB1 ALA 10 2.659 -5.632 7.281 69 HB2 ALA 10 HB2 ALA 10 2.527 -5.401 5.534 70 HB3 ALA 10 HB3 ALA 10 2.995 -4.058 6.570 71 H GLU 11 HN GLU 11 4.568 -6.557 8.595 72 HA GLU 11 HA GLU 11 5.733 -4.347 10.008 73 HB2 GLU 11 HB2 GLU 11 5.224 -7.188 10.911 74 HB3 GLU 11 HB1 GLU 11 5.782 -5.896 11.957 75 HG2 GLU 11 HG2 GLU 11 3.698 -4.656 11.468 76 HG3 GLU 11 HG1 GLU 11 3.131 -6.038 10.533 77 H LEU 12 HN LEU 12 6.942 -7.005 8.322 78 HA LEU 12 HA LEU 12 9.450 -7.228 9.758 79 HB2 LEU 12 HB2 LEU 12 8.389 -8.494 7.236 80 HB3 LEU 12 HB1 LEU 12 10.097 -8.533 7.581 81 HG LEU 12 HG LEU 12 9.806 -9.893 9.500 82 HD11 LEU 12 HD11 LEU 12 7.864 -8.789 10.479 83 HD12 LEU 12 HD12 LEU 12 7.626 -10.535 10.391 84 HD13 LEU 12 HD13 LEU 12 6.833 -9.476 9.225 85 HD21 LEU 12 HD21 LEU 12 8.633 -11.836 8.592 86 HD22 LEU 12 HD22 LEU 12 9.660 -11.066 7.383 87 HD23 LEU 12 HD23 LEU 12 7.914 -10.814 7.348 88 H GLN 13 HN GLN 13 8.346 -5.899 6.696 89 HA GLN 13 HA GLN 13 10.853 -4.852 5.903 90 HB2 GLN 13 HB2 GLN 13 8.046 -4.051 5.119 91 HB3 GLN 13 HB1 GLN 13 9.501 -3.416 4.373 92 HG2 GLN 13 HG2 GLN 13 10.108 -5.569 3.542 93 HG3 GLN 13 HG1 GLN 13 8.788 -6.331 4.430 94 HE21 GLN 13 HE21 GLN 13 7.986 -7.181 2.489 95 HE22 GLN 13 HE22 GLN 13 7.107 -6.184 1.375 96 H ARG 14 HN ARG 14 8.215 -3.578 7.835 97 HA ARG 14 HA ARG 14 9.161 -0.910 7.991 98 HB2 ARG 14 HB2 ARG 14 7.409 -2.495 9.887 99 HB3 ARG 14 HB1 ARG 14 7.783 -0.795 10.104 100 HG2 ARG 14 HG2 ARG 14 6.682 -0.232 8.040 101 HG3 ARG 14 HG1 ARG 14 6.409 -1.938 7.683 102 HD2 ARG 14 HD2 ARG 14 4.406 -0.812 8.595 103 HD3 ARG 14 HD1 ARG 14 4.961 -2.152 9.599 104 HE ARG 14 HE ARG 14 5.904 0.499 10.326 105 HH11 ARG 14 HH11 ARG 14 3.543 -2.039 10.886 106 HH12 ARG 14 HH12 ARG 14 3.167 -1.533 12.495 107 HH21 ARG 14 HH21 ARG 14 5.402 1.198 12.464 108 HH22 ARG 14 HH22 ARG 14 4.243 0.331 13.402 109 H LEU 15 HN LEU 15 9.616 -3.730 10.082 110 HA LEU 15 HA LEU 15 11.303 -2.455 11.953 111 HB2 LEU 15 HB2 LEU 15 10.136 -4.555 12.420 112 HB3 LEU 15 HB1 LEU 15 11.077 -5.371 11.192 113 HG LEU 15 HG LEU 15 13.116 -5.031 12.526 114 HD11 LEU 15 HD11 LEU 15 11.245 -3.880 14.594 115 HD12 LEU 15 HD12 LEU 15 12.469 -2.985 13.695 116 HD13 LEU 15 HD13 LEU 15 12.954 -4.244 14.831 117 HD21 LEU 15 HD21 LEU 15 10.820 -6.356 13.960 118 HD22 LEU 15 HD22 LEU 15 12.521 -6.591 14.345 119 HD23 LEU 15 HD23 LEU 15 11.896 -7.096 12.775 120 H LYS 16 HN LYS 16 11.901 -4.188 8.961 121 HA LYS 16 HA LYS 16 14.730 -4.290 9.157 122 HB2 LYS 16 HB2 LYS 16 13.460 -5.714 7.583 123 HB3 LYS 16 HB1 LYS 16 13.007 -4.288 6.657 124 HG2 LYS 16 HG2 LYS 16 15.333 -3.910 6.077 125 HG3 LYS 16 HG1 LYS 16 15.812 -5.310 7.043 126 HD2 LYS 16 HD2 LYS 16 14.492 -6.770 5.604 127 HD3 LYS 16 HD1 LYS 16 13.967 -5.380 4.655 128 HE2 LYS 16 HE2 LYS 16 16.811 -6.328 4.967 129 HE3 LYS 16 HE1 LYS 16 15.789 -6.604 3.558 130 HZ1 LYS 16 HZ1 LYS 16 16.683 -3.961 4.570 131 HZ2 LYS 16 HZ2 LYS 16 15.672 -4.201 3.240 132 HZ3 LYS 16 HZ3 LYS 16 17.271 -4.747 3.197 133 H ASN 17 HN ASN 17 12.502 -1.902 7.901 134 HA ASN 17 HA ASN 17 14.586 -0.243 6.794 135 HB2 ASN 17 HB2 ASN 17 12.354 -0.152 5.784 136 HB3 ASN 17 HB1 ASN 17 11.664 0.396 7.308 137 HD21 ASN 17 HD21 ASN 17 13.736 1.249 4.635 138 HD22 ASN 17 HD22 ASN 17 13.657 2.961 4.871 139 H GLU 18 HN GLU 18 12.684 -0.340 9.744 140 HA GLU 18 HA GLU 18 13.604 2.099 10.810 141 HB2 GLU 18 HB2 GLU 18 11.627 0.862 11.657 142 HB3 GLU 18 HB1 GLU 18 12.697 -0.377 12.293 143 HG2 GLU 18 HG2 GLU 18 13.616 1.112 13.887 144 HG3 GLU 18 HG1 GLU 18 12.846 2.504 13.127 145 H ARG 19 HN ARG 19 14.833 -1.197 10.947 146 HA ARG 19 HA ARG 19 17.004 -0.660 12.694 147 HB2 ARG 19 HB2 ARG 19 16.222 -2.980 12.143 148 HB3 ARG 19 HB1 ARG 19 16.890 -2.789 10.526 149 HG2 ARG 19 HG2 ARG 19 19.125 -2.535 11.488 150 HG3 ARG 19 HG1 ARG 19 18.447 -2.738 13.105 151 HD2 ARG 19 HD2 ARG 19 17.626 -4.976 12.430 152 HD3 ARG 19 HD1 ARG 19 18.420 -4.766 10.871 153 HE ARG 19 HE ARG 19 20.290 -4.368 12.938 154 HH11 ARG 19 HH11 ARG 19 18.476 -6.945 11.405 155 HH12 ARG 19 HH12 ARG 19 19.621 -8.177 11.807 156 HH21 ARG 19 HH21 ARG 19 21.818 -5.995 13.469 157 HH22 ARG 19 HH22 ARG 19 21.539 -7.627 12.977 158 H HIS 20 HN HIS 20 16.639 -0.543 9.186 159 HA HIS 20 HA HIS 20 19.320 0.163 8.596 160 HB2 HIS 20 HB2 HIS 20 17.673 -0.623 6.858 161 HB3 HIS 20 HB1 HIS 20 16.863 0.938 6.979 162 HD1 HIS 20 HD1 HIS 20 17.798 2.815 5.571 163 HD2 HIS 20 HD2 HIS 20 20.352 -0.458 5.784 164 HE1 HIS 20 HE1 HIS 20 19.636 3.298 3.946 165 H GLU 21 HN GLU 21 16.522 2.017 9.530 166 HA GLU 21 HA GLU 21 17.495 4.613 9.101 167 HB2 GLU 21 HB2 GLU 21 15.134 3.963 9.791 168 HB3 GLU 21 HB1 GLU 21 15.742 3.772 11.429 169 HG2 GLU 21 HG2 GLU 21 14.703 5.881 11.265 170 HG3 GLU 21 HG1 GLU 21 16.445 6.152 11.346 171 H GLU 22 HN GLU 22 17.847 2.440 11.846 172 HA GLU 22 HA GLU 22 19.473 4.173 13.456 173 HB2 GLU 22 HB2 GLU 22 18.258 2.295 14.482 174 HB3 GLU 22 HB1 GLU 22 19.188 1.146 13.529 175 HG2 GLU 22 HG2 GLU 22 20.047 1.141 15.742 176 HG3 GLU 22 HG1 GLU 22 21.231 1.926 14.705 177 H ALA 23 HN ALA 23 20.045 2.316 10.709 178 HA ALA 23 HA ALA 23 22.858 1.813 11.188 179 HB1 ALA 23 HB1 ALA 23 21.545 0.231 9.825 180 HB2 ALA 23 HB2 ALA 23 22.908 0.907 8.936 181 HB3 ALA 23 HB3 ALA 23 21.281 1.502 8.626 182 H GLU 24 HN GLU 24 20.823 4.082 9.496 183 HA GLU 24 HA GLU 24 22.894 5.486 8.169 184 HB2 GLU 24 HB2 GLU 24 20.143 6.420 9.040 185 HB3 GLU 24 HB1 GLU 24 21.222 7.321 7.988 186 HG2 GLU 24 HG2 GLU 24 20.078 4.606 7.392 187 HG3 GLU 24 HG1 GLU 24 19.499 6.137 6.737 188 H LEU 25 HN LEU 25 21.239 5.922 11.251 189 HA LEU 25 HA LEU 25 22.635 8.162 12.170 190 HB2 LEU 25 HB2 LEU 25 21.561 5.824 13.754 191 HB3 LEU 25 HB1 LEU 25 22.079 7.347 14.446 192 HG LEU 25 HG LEU 25 19.771 7.013 12.536 193 HD11 LEU 25 HD11 LEU 25 19.313 5.990 14.695 194 HD12 LEU 25 HD12 LEU 25 18.368 7.463 14.482 195 HD13 LEU 25 HD13 LEU 25 19.800 7.475 15.511 196 HD21 LEU 25 HD21 LEU 25 19.251 9.332 13.153 197 HD22 LEU 25 HD22 LEU 25 20.819 9.205 12.357 198 HD23 LEU 25 HD23 LEU 25 20.732 9.403 14.108 199 H GLU 26 HN GLU 26 23.389 4.709 12.391 200 HA GLU 26 HA GLU 26 25.762 4.945 13.858 201 HB2 GLU 26 HB2 GLU 26 24.318 2.869 13.259 202 HB3 GLU 26 HB1 GLU 26 25.287 2.816 11.794 203 HG2 GLU 26 HG2 GLU 26 26.190 1.324 13.452 204 HG3 GLU 26 HG1 GLU 26 27.315 2.653 13.156 205 H ARG 27 HN ARG 27 25.064 5.084 10.415 206 HA ARG 27 HA ARG 27 27.795 5.127 9.589 207 HB2 ARG 27 HB2 ARG 27 26.064 4.375 8.024 208 HB3 ARG 27 HB1 ARG 27 25.311 5.963 8.062 209 HG2 ARG 27 HG2 ARG 27 26.927 6.916 6.755 210 HG3 ARG 27 HG1 ARG 27 28.155 5.741 7.227 211 HD2 ARG 27 HD2 ARG 27 27.414 5.468 4.889 212 HD3 ARG 27 HD1 ARG 27 27.116 4.040 5.874 213 HE ARG 27 HE ARG 27 24.749 5.123 6.039 214 HH11 ARG 27 HH11 ARG 27 26.836 5.118 3.217 215 HH12 ARG 27 HH12 ARG 27 25.526 5.067 2.094 216 HH21 ARG 27 HH21 ARG 27 23.008 5.024 4.551 217 HH22 ARG 27 HH22 ARG 27 23.348 5.012 2.846 218 H LEU 28 HN LEU 28 25.519 7.555 10.558 219 HA LEU 28 HA LEU 28 26.969 9.804 9.615 220 HB2 LEU 28 HB2 LEU 28 24.617 9.964 10.395 221 HB3 LEU 28 HB1 LEU 28 25.152 9.653 12.038 222 HG LEU 28 HG LEU 28 26.424 11.759 12.013 223 HD11 LEU 28 HD11 LEU 28 26.905 11.930 9.648 224 HD12 LEU 28 HD12 LEU 28 26.050 13.371 10.197 225 HD13 LEU 28 HD13 LEU 28 25.191 12.127 9.288 226 HD21 LEU 28 HD21 LEU 28 24.496 13.264 12.063 227 HD22 LEU 28 HD22 LEU 28 24.155 11.738 12.875 228 HD23 LEU 28 HD23 LEU 28 23.519 12.037 11.257 229 H LYS 29 HN LYS 29 27.379 7.675 12.307 230 HA LYS 29 HA LYS 29 29.180 9.337 13.783 231 HB2 LYS 29 HB2 LYS 29 28.907 6.332 13.869 232 HB3 LYS 29 HB1 LYS 29 29.658 7.347 15.087 233 HG2 LYS 29 HG2 LYS 29 26.739 7.185 14.385 234 HG3 LYS 29 HG1 LYS 29 27.519 6.662 15.877 235 HD2 LYS 29 HD2 LYS 29 28.181 9.045 16.259 236 HD3 LYS 29 HD1 LYS 29 27.182 9.479 14.870 237 HE2 LYS 29 HE2 LYS 29 26.285 8.202 17.443 238 HE3 LYS 29 HE1 LYS 29 25.903 9.820 16.863 239 HZ1 LYS 29 HZ1 LYS 29 24.682 8.812 15.018 240 HZ2 LYS 29 HZ2 LYS 29 24.056 8.335 16.512 241 HZ3 LYS 29 HZ3 LYS 29 25.020 7.269 15.626 242 H SER 30 HN SER 30 29.378 7.466 10.968 243 HA SER 30 HA SER 30 32.202 6.865 11.185 244 HB2 SER 30 HB2 SER 30 30.328 6.566 8.814 245 HB3 SER 30 HB1 SER 30 31.948 5.882 8.956 246 HG SER 30 HG SER 30 29.769 4.689 9.622 247 H GLU 31 HN GLU 31 30.127 9.347 10.083 248 HA GLU 31 HA GLU 31 31.882 10.592 8.232 249 HB2 GLU 31 HB2 GLU 31 29.601 11.747 9.850 250 HB3 GLU 31 HB1 GLU 31 30.408 12.562 8.519 251 HG2 GLU 31 HG2 GLU 31 28.821 10.012 8.334 252 HG3 GLU 31 HG1 GLU 31 28.295 11.612 7.811 253 H ARG 32 HN ARG 32 30.959 11.434 11.548 254 HA ARG 32 HA ARG 32 32.894 13.410 11.966 255 HB2 ARG 32 HB2 ARG 32 31.002 13.133 13.477 256 HB3 ARG 32 HB1 ARG 32 31.603 11.566 13.991 257 HG2 ARG 32 HG2 ARG 32 32.042 13.273 15.671 258 HG3 ARG 32 HG1 ARG 32 33.548 12.638 15.013 259 HD2 ARG 32 HD2 ARG 32 33.672 14.597 13.511 260 HD3 ARG 32 HD1 ARG 32 32.215 15.239 14.268 261 HE ARG 32 HE ARG 32 33.684 15.047 16.402 262 HH11 ARG 32 HH11 ARG 32 34.779 16.018 13.204 263 HH12 ARG 32 HH12 ARG 32 36.054 17.014 13.815 264 HH21 ARG 32 HH21 ARG 32 35.367 16.388 17.194 265 HH22 ARG 32 HH22 ARG 32 36.385 17.232 16.080 266 H HIS 33 HN HIS 33 33.135 9.943 12.204 267 HA HIS 33 HA HIS 33 35.612 9.828 13.596 268 HB2 HIS 33 HB2 HIS 33 33.831 7.912 12.267 269 HB3 HIS 33 HB1 HIS 33 35.532 7.466 12.247 270 HD1 HIS 33 HD1 HIS 33 32.574 7.629 14.419 271 HD2 HIS 33 HD2 HIS 33 36.673 7.110 14.857 272 HE1 HIS 33 HE1 HIS 33 32.890 6.679 16.724 273 H ASP 34 HN ASP 34 34.928 10.719 10.400 274 HA ASP 34 HA ASP 34 37.005 9.484 8.988 275 HB2 ASP 34 HB2 ASP 34 36.608 10.939 7.210 276 HB3 ASP 34 HB1 ASP 34 35.056 10.922 8.025 277 H HIS 35 HN HIS 35 37.055 12.490 10.836 278 HA HIS 35 HA HIS 35 39.636 13.311 10.181 279 HB2 HIS 35 HB2 HIS 35 38.080 14.761 11.426 280 HB3 HIS 35 HB1 HIS 35 38.213 13.710 12.834 281 HD2 HIS 35 HD2 HIS 35 40.522 16.202 10.822 282 HE1 HIS 35 HE1 HIS 35 42.038 15.743 14.746 283 HE2 HIS 35 HE2 HIS 35 42.154 17.073 12.622 284 H ASP 36 HN ASP 36 38.682 10.679 12.214 285 HA ASP 36 HA ASP 36 41.298 10.524 13.504 286 HB2 ASP 36 HB2 ASP 36 38.821 8.818 13.824 287 HB3 ASP 36 HB1 ASP 36 40.342 8.502 14.645 288 H LYS 37 HN LYS 37 39.957 9.484 10.638 289 HA LYS 37 HA LYS 37 42.094 7.578 10.243 290 HB2 LYS 37 HB2 LYS 37 39.956 6.448 11.236 291 HB3 LYS 37 HB1 LYS 37 39.279 6.707 9.638 292 HG2 LYS 37 HG2 LYS 37 40.988 5.331 8.644 293 HG3 LYS 37 HG1 LYS 37 41.795 5.154 10.203 294 HD2 LYS 37 HD2 LYS 37 39.815 4.021 11.099 295 HD3 LYS 37 HD1 LYS 37 39.004 4.207 9.544 296 HE2 LYS 37 HE2 LYS 37 39.856 1.983 9.652 297 HE3 LYS 37 HE1 LYS 37 40.858 2.883 8.515 298 HZ1 LYS 37 HZ1 LYS 37 42.216 1.544 9.951 299 HZ2 LYS 37 HZ2 LYS 37 41.535 2.235 11.329 300 HZ3 LYS 37 HZ3 LYS 37 42.499 3.175 10.301 301 H LYS 38 HN LYS 38 41.821 10.062 9.230 302 HA LYS 38 HA LYS 38 40.365 10.065 6.759 303 HB2 LYS 38 HB2 LYS 38 40.638 12.155 8.045 304 HB3 LYS 38 HB1 LYS 38 42.376 12.090 7.778 305 HG2 LYS 38 HG2 LYS 38 42.073 12.394 5.419 306 HG3 LYS 38 HG1 LYS 38 40.322 12.305 5.597 307 HD2 LYS 38 HD2 LYS 38 40.287 14.342 6.856 308 HD3 LYS 38 HD1 LYS 38 42.050 14.389 6.917 309 HE2 LYS 38 HE2 LYS 38 40.434 14.504 4.376 310 HE3 LYS 38 HE1 LYS 38 41.035 15.924 5.230 311 HZ1 LYS 38 HZ1 LYS 38 42.705 13.750 4.083 312 HZ2 LYS 38 HZ2 LYS 38 43.289 15.101 4.917 313 HZ3 LYS 38 HZ3 LYS 38 42.505 15.294 3.433 314 H GLU 39 HN GLU 39 41.197 8.341 5.723 315 HA GLU 39 HA GLU 39 43.487 8.954 4.060 316 HB2 GLU 39 HB2 GLU 39 44.642 6.832 4.549 317 HB3 GLU 39 HB1 GLU 39 44.578 7.888 5.951 318 HG2 GLU 39 HG2 GLU 39 42.708 6.583 6.841 319 HG3 GLU 39 HG1 GLU 39 42.800 5.525 5.433 320 H ALA 40 HN ALA 40 40.565 8.499 3.840 321 HA ALA 40 HA ALA 40 39.039 7.486 2.480 322 HB1 ALA 40 HB1 ALA 40 40.646 8.117 0.730 323 HB2 ALA 40 HB2 ALA 40 39.829 6.602 0.346 324 HB3 ALA 40 HB3 ALA 40 41.484 6.581 0.953 325 H GLU 41 HN GLU 41 39.786 6.073 4.817 326 HA GLU 41 HA GLU 41 39.227 3.372 4.062 327 HB2 GLU 41 HB2 GLU 41 41.716 3.505 4.195 328 HB3 GLU 41 HB1 GLU 41 41.564 4.117 5.835 329 HG2 GLU 41 HG2 GLU 41 40.494 2.016 6.507 330 HG3 GLU 41 HG1 GLU 41 40.708 1.404 4.870 331 H ARG 42 HN ARG 42 37.328 3.513 5.045 332 HA ARG 42 HA ARG 42 37.275 4.028 7.869 333 HB2 ARG 42 HB2 ARG 42 35.122 4.676 5.839 334 HB3 ARG 42 HB1 ARG 42 34.958 4.842 7.579 335 HG2 ARG 42 HG2 ARG 42 36.832 6.499 7.516 336 HG3 ARG 42 HG1 ARG 42 36.759 6.417 5.755 337 HD2 ARG 42 HD2 ARG 42 34.549 7.282 7.618 338 HD3 ARG 42 HD1 ARG 42 35.484 8.318 6.542 339 HE ARG 42 HE ARG 42 34.373 6.479 4.872 340 HH11 ARG 42 HH11 ARG 42 33.065 8.674 7.278 341 HH12 ARG 42 HH12 ARG 42 31.539 8.864 6.461 342 HH21 ARG 42 HH21 ARG 42 32.354 6.712 3.812 343 HH22 ARG 42 HH22 ARG 42 31.134 7.725 4.500 344 H LYS 43 HN LYS 43 36.565 2.511 8.883 345 HA LYS 43 HA LYS 43 36.282 -0.094 7.993 346 HB2 LYS 43 HB2 LYS 43 35.568 -0.764 10.171 347 HB3 LYS 43 HB1 LYS 43 36.754 0.512 10.362 348 HG2 LYS 43 HG2 LYS 43 35.294 1.887 11.367 349 HG3 LYS 43 HG1 LYS 43 33.974 1.441 10.283 350 HD2 LYS 43 HD2 LYS 43 34.981 -0.286 12.551 351 HD3 LYS 43 HD1 LYS 43 33.586 0.788 12.662 352 HE2 LYS 43 HE2 LYS 43 32.493 -0.454 10.844 353 HE3 LYS 43 HE1 LYS 43 33.881 -1.530 10.742 354 HZ1 LYS 43 HZ1 LYS 43 32.105 -2.530 12.012 355 HZ2 LYS 43 HZ2 LYS 43 32.080 -1.227 13.084 356 HZ3 LYS 43 HZ3 LYS 43 33.431 -2.241 13.018 357 H ALA 44 HN ALA 44 33.824 2.338 8.084 358 HA ALA 44 HA ALA 44 31.531 0.742 8.163 359 HB1 ALA 44 HB1 ALA 44 31.354 3.172 8.285 360 HB2 ALA 44 HB2 ALA 44 30.363 2.563 6.966 361 HB3 ALA 44 HB3 ALA 44 31.905 3.334 6.616 362 H LEU 45 HN LEU 45 33.263 1.884 5.241 363 HA LEU 45 HA LEU 45 31.870 0.328 3.399 364 HB2 LEU 45 HB2 LEU 45 33.248 2.229 2.777 365 HB3 LEU 45 HB1 LEU 45 34.689 1.397 3.320 366 HG LEU 45 HG LEU 45 34.332 -0.291 1.528 367 HD11 LEU 45 HD11 LEU 45 32.198 1.633 0.622 368 HD12 LEU 45 HD12 LEU 45 31.940 -0.009 1.211 369 HD13 LEU 45 HD13 LEU 45 32.807 0.258 -0.300 370 HD21 LEU 45 HD21 LEU 45 34.606 2.587 0.680 371 HD22 LEU 45 HD22 LEU 45 35.068 1.192 -0.293 372 HD23 LEU 45 HD23 LEU 45 35.901 1.522 1.224 373 H GLU 46 HN GLU 46 34.710 -0.410 5.335 374 HA GLU 46 HA GLU 46 35.441 -2.797 3.946 375 HB2 GLU 46 HB2 GLU 46 37.064 -1.529 5.294 376 HB3 GLU 46 HB1 GLU 46 36.148 -1.891 6.752 377 HG2 GLU 46 HG2 GLU 46 36.578 -4.326 6.254 378 HG3 GLU 46 HG1 GLU 46 37.731 -3.772 5.039 379 H ASP 47 HN ASP 47 33.937 -2.270 7.101 380 HA ASP 47 HA ASP 47 33.437 -5.074 7.502 381 HB2 ASP 47 HB2 ASP 47 33.978 -3.612 9.403 382 HB3 ASP 47 HB1 ASP 47 32.517 -2.676 9.116 383 H LYS 48 HN LYS 48 31.684 -2.480 6.021 384 HA LYS 48 HA LYS 48 29.737 -2.368 4.981 385 HB2 LYS 48 HB2 LYS 48 29.745 -5.371 5.413 386 HB3 LYS 48 HB1 LYS 48 28.484 -4.574 4.498 387 HG2 LYS 48 HG2 LYS 48 31.416 -4.562 3.820 388 HG3 LYS 48 HG1 LYS 48 30.181 -5.565 3.057 389 HD2 LYS 48 HD2 LYS 48 29.005 -3.454 2.388 390 HD3 LYS 48 HD1 LYS 48 30.400 -2.556 2.987 391 HE2 LYS 48 HE2 LYS 48 30.399 -4.608 0.774 392 HE3 LYS 48 HE1 LYS 48 30.557 -2.863 0.582 393 HZ1 LYS 48 HZ1 LYS 48 32.623 -2.992 1.888 394 HZ2 LYS 48 HZ2 LYS 48 32.702 -3.876 0.450 395 HZ3 LYS 48 HZ3 LYS 48 32.485 -4.680 1.922 396 H LEU 49 HN LEU 49 27.153 -3.019 5.415 397 HA LEU 49 HA LEU 49 26.736 -2.442 8.228 398 HB2 LEU 49 HB2 LEU 49 25.452 -1.167 6.574 399 HB3 LEU 49 HB1 LEU 49 24.769 -2.649 5.931 400 HG LEU 49 HG LEU 49 23.649 -3.040 8.094 401 HD11 LEU 49 HD11 LEU 49 25.146 -1.832 9.556 402 HD12 LEU 49 HD12 LEU 49 23.509 -1.195 9.703 403 HD13 LEU 49 HD13 LEU 49 24.721 -0.309 8.776 404 HD21 LEU 49 HD21 LEU 49 21.957 -1.283 7.815 405 HD22 LEU 49 HD22 LEU 49 22.453 -1.975 6.273 406 HD23 LEU 49 HD23 LEU 49 23.064 -0.396 6.769 407 H ALA 50 HN ALA 50 26.586 -5.040 6.014 408 HA ALA 50 HA ALA 50 25.896 -6.858 8.142 409 HB1 ALA 50 HB1 ALA 50 24.268 -6.741 5.605 410 HB2 ALA 50 HB2 ALA 50 23.708 -6.276 7.212 411 HB3 ALA 50 HB3 ALA 50 24.121 -7.956 6.873 412 H ASP 51 HN ASP 51 26.710 -8.884 7.811 413 HA ASP 51 HA ASP 51 28.828 -9.121 5.894 414 HB2 ASP 51 HB2 ASP 51 29.043 -9.995 8.181 415 HB3 ASP 51 HB1 ASP 51 27.698 -11.090 7.902 416 H TYR 52 HN TYR 52 25.653 -9.364 5.461 417 HA TYR 52 HA TYR 52 25.871 -11.495 3.460 418 HB2 TYR 52 HB2 TYR 52 23.434 -10.805 5.121 419 HB3 TYR 52 HB1 TYR 52 23.518 -12.046 3.877 420 HD1 TYR 52 HD1 TYR 52 24.508 -11.128 7.290 421 HD2 TYR 52 HD2 TYR 52 24.601 -14.166 4.317 422 HE1 TYR 52 HE1 TYR 52 25.202 -12.759 8.987 423 HE2 TYR 52 HE2 TYR 52 25.294 -15.810 6.009 424 HH TYR 52 HH TYR 52 25.143 -15.148 9.350 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -12.282 -14.694 11.413 2 H2 GLY 1 HT2 GLY 1 -12.217 -16.360 11.112 3 H3 GLY 1 HT3 GLY 1 -12.032 -15.262 9.841 4 HA2 GLY 1 HA1 GLY 1 -10.163 -15.516 12.115 5 HA3 GLY 1 HA2 GLY 1 -9.918 -16.245 10.535 6 H SER 2 HN SER 2 -9.205 -15.019 8.849 7 HA SER 2 HA SER 2 -8.141 -13.339 7.775 8 HB2 SER 2 HB2 SER 2 -10.394 -12.288 7.942 9 HB3 SER 2 HB1 SER 2 -9.899 -11.522 9.451 10 HG SER 2 HG SER 2 -8.249 -10.461 8.262 11 H VAL 3 HN VAL 3 -6.860 -14.411 10.019 12 HA VAL 3 HA VAL 3 -5.852 -12.439 11.777 13 HB VAL 3 HB VAL 3 -4.661 -15.119 11.019 14 HG11 VAL 3 HG11 VAL 3 -4.023 -13.310 13.353 15 HG12 VAL 3 HG12 VAL 3 -2.969 -13.643 11.980 16 HG13 VAL 3 HG13 VAL 3 -3.384 -14.934 13.106 17 HG21 VAL 3 HG21 VAL 3 -6.889 -15.292 12.001 18 HG22 VAL 3 HG22 VAL 3 -6.372 -14.303 13.365 19 HG23 VAL 3 HG23 VAL 3 -5.661 -15.897 13.113 20 H GLU 4 HN GLU 4 -4.171 -14.124 9.092 21 HA GLU 4 HA GLU 4 -2.063 -12.224 9.096 22 HB2 GLU 4 HB2 GLU 4 -2.779 -14.322 7.038 23 HB3 GLU 4 HB1 GLU 4 -1.275 -13.419 7.110 24 HG2 GLU 4 HG2 GLU 4 -0.690 -14.438 9.190 25 HG3 GLU 4 HG1 GLU 4 -2.260 -15.234 9.288 26 H LYS 5 HN LYS 5 -4.759 -12.899 6.778 27 HA LYS 5 HA LYS 5 -5.600 -11.753 5.070 28 HB2 LYS 5 HB2 LYS 5 -6.370 -10.511 7.135 29 HB3 LYS 5 HB1 LYS 5 -5.110 -9.329 6.800 30 HG2 LYS 5 HG2 LYS 5 -6.146 -8.871 4.617 31 HG3 LYS 5 HG1 LYS 5 -7.425 -10.024 5.000 32 HD2 LYS 5 HD2 LYS 5 -8.096 -8.664 6.903 33 HD3 LYS 5 HD1 LYS 5 -6.786 -7.526 6.568 34 HE2 LYS 5 HE2 LYS 5 -7.771 -7.023 4.395 35 HE3 LYS 5 HE1 LYS 5 -9.067 -8.176 4.706 36 HZ1 LYS 5 HZ1 LYS 5 -9.752 -5.901 5.149 37 HZ2 LYS 5 HZ2 LYS 5 -8.527 -5.734 6.305 38 HZ3 LYS 5 HZ3 LYS 5 -9.785 -6.829 6.558 39 H LEU 6 HN LEU 6 -2.600 -11.999 5.057 40 HA LEU 6 HA LEU 6 -0.824 -11.337 3.805 41 HB2 LEU 6 HB2 LEU 6 -2.931 -9.866 2.215 42 HB3 LEU 6 HB1 LEU 6 -1.277 -10.121 1.695 43 HG LEU 6 HG LEU 6 -3.300 -12.310 2.179 44 HD11 LEU 6 HD11 LEU 6 -3.895 -10.971 0.253 45 HD12 LEU 6 HD12 LEU 6 -3.285 -12.544 -0.259 46 HD13 LEU 6 HD13 LEU 6 -2.257 -11.118 -0.382 47 HD21 LEU 6 HD21 LEU 6 -1.636 -13.744 1.073 48 HD22 LEU 6 HD22 LEU 6 -1.020 -13.060 2.577 49 HD23 LEU 6 HD23 LEU 6 -0.510 -12.387 1.029 50 H THR 7 HN THR 7 -1.753 -9.666 6.113 51 HA THR 7 HA THR 7 -0.529 -7.200 5.374 52 HB THR 7 HB THR 7 -1.873 -6.175 7.222 53 HG1 THR 7 HG1 THR 7 -2.658 -8.864 7.613 54 HG21 THR 7 HG21 THR 7 -2.852 -6.198 4.985 55 HG22 THR 7 HG22 THR 7 -4.092 -6.331 6.232 56 HG23 THR 7 HG23 THR 7 -3.595 -7.761 5.325 57 H ALA 8 HN ALA 8 0.118 -6.478 7.914 58 HA ALA 8 HA ALA 8 1.553 -6.694 9.663 59 HB1 ALA 8 HB1 ALA 8 0.269 -8.703 10.302 60 HB2 ALA 8 HB2 ALA 8 1.983 -8.852 10.694 61 HB3 ALA 8 HB3 ALA 8 1.324 -9.684 9.285 62 H ASP 9 HN ASP 9 2.168 -8.127 6.668 63 HA ASP 9 HA ASP 9 4.931 -8.666 6.848 64 HB2 ASP 9 HB2 ASP 9 4.979 -8.691 4.472 65 HB3 ASP 9 HB1 ASP 9 3.379 -9.284 4.898 66 H ALA 10 HN ALA 10 3.119 -5.803 6.747 67 HA ALA 10 HA ALA 10 5.231 -4.038 5.862 68 HB1 ALA 10 HB1 ALA 10 2.664 -3.285 7.277 69 HB2 ALA 10 HB2 ALA 10 2.846 -3.447 5.528 70 HB3 ALA 10 HB3 ALA 10 3.742 -2.205 6.398 71 H GLU 11 HN GLU 11 4.429 -5.561 8.751 72 HA GLU 11 HA GLU 11 5.733 -3.607 10.485 73 HB2 GLU 11 HB2 GLU 11 4.679 -6.384 11.118 74 HB3 GLU 11 HB1 GLU 11 5.218 -5.192 12.290 75 HG2 GLU 11 HG2 GLU 11 2.828 -4.898 10.475 76 HG3 GLU 11 HG1 GLU 11 2.783 -5.344 12.177 77 H LEU 12 HN LEU 12 6.234 -6.411 8.703 78 HA LEU 12 HA LEU 12 8.744 -7.217 9.891 79 HB2 LEU 12 HB2 LEU 12 7.749 -8.030 7.164 80 HB3 LEU 12 HB1 LEU 12 8.828 -8.909 8.224 81 HG LEU 12 HG LEU 12 5.835 -8.609 8.496 82 HD11 LEU 12 HD11 LEU 12 5.829 -11.003 8.328 83 HD12 LEU 12 HD12 LEU 12 7.583 -11.010 8.152 84 HD13 LEU 12 HD13 LEU 12 6.573 -10.261 6.914 85 HD21 LEU 12 HD21 LEU 12 6.022 -9.961 10.517 86 HD22 LEU 12 HD22 LEU 12 6.765 -8.376 10.692 87 HD23 LEU 12 HD23 LEU 12 7.783 -9.804 10.455 88 H GLN 13 HN GLN 13 7.569 -5.562 7.060 89 HA GLN 13 HA GLN 13 10.042 -5.025 5.811 90 HB2 GLN 13 HB2 GLN 13 7.857 -4.787 4.662 91 HB3 GLN 13 HB1 GLN 13 7.477 -3.410 5.688 92 HG2 GLN 13 HG2 GLN 13 9.416 -2.225 4.734 93 HG3 GLN 13 HG1 GLN 13 9.671 -3.592 3.649 94 HE21 GLN 13 HE21 GLN 13 7.636 -0.921 4.444 95 HE22 GLN 13 HE22 GLN 13 6.722 -0.904 2.976 96 H ARG 14 HN ARG 14 8.216 -3.387 8.327 97 HA ARG 14 HA ARG 14 9.846 -1.038 8.303 98 HB2 ARG 14 HB2 ARG 14 7.531 -0.941 9.177 99 HB3 ARG 14 HB1 ARG 14 7.977 -2.033 10.482 100 HG2 ARG 14 HG2 ARG 14 7.918 0.212 11.318 101 HG3 ARG 14 HG1 ARG 14 9.592 -0.345 11.292 102 HD2 ARG 14 HD2 ARG 14 9.691 0.799 8.971 103 HD3 ARG 14 HD1 ARG 14 8.228 1.629 9.495 104 HE ARG 14 HE ARG 14 10.320 1.812 11.437 105 HH11 ARG 14 HH11 ARG 14 9.099 3.242 8.466 106 HH12 ARG 14 HH12 ARG 14 9.969 4.723 8.686 107 HH21 ARG 14 HH21 ARG 14 11.444 3.749 11.719 108 HH22 ARG 14 HH22 ARG 14 11.297 5.027 10.548 109 H LEU 15 HN LEU 15 9.892 -4.114 9.919 110 HA LEU 15 HA LEU 15 11.732 -3.554 11.959 111 HB2 LEU 15 HB2 LEU 15 10.440 -5.624 11.862 112 HB3 LEU 15 HB1 LEU 15 11.286 -6.109 10.408 113 HG LEU 15 HG LEU 15 13.386 -6.253 11.711 114 HD11 LEU 15 HD11 LEU 15 11.593 -5.741 14.071 115 HD12 LEU 15 HD12 LEU 15 12.855 -4.668 13.470 116 HD13 LEU 15 HD13 LEU 15 13.283 -6.238 14.148 117 HD21 LEU 15 HD21 LEU 15 11.096 -7.891 12.788 118 HD22 LEU 15 HD22 LEU 15 12.806 -8.307 12.899 119 HD23 LEU 15 HD23 LEU 15 12.016 -8.235 11.324 120 H LYS 16 HN LYS 16 12.200 -4.495 8.598 121 HA LYS 16 HA LYS 16 15.075 -4.543 8.800 122 HB2 LYS 16 HB2 LYS 16 13.281 -4.567 6.360 123 HB3 LYS 16 HB1 LYS 16 15.015 -4.842 6.346 124 HG2 LYS 16 HG2 LYS 16 14.755 -6.845 7.662 125 HG3 LYS 16 HG1 LYS 16 13.021 -6.553 7.810 126 HD2 LYS 16 HD2 LYS 16 12.763 -6.795 5.400 127 HD3 LYS 16 HD1 LYS 16 14.503 -7.039 5.225 128 HE2 LYS 16 HE2 LYS 16 13.265 -9.160 5.176 129 HE3 LYS 16 HE1 LYS 16 14.374 -9.072 6.544 130 HZ1 LYS 16 HZ1 LYS 16 12.540 -8.560 7.991 131 HZ2 LYS 16 HZ2 LYS 16 12.188 -9.976 7.146 132 HZ3 LYS 16 HZ3 LYS 16 11.459 -8.526 6.690 133 H ASN 17 HN ASN 17 12.623 -2.287 7.860 134 HA ASN 17 HA ASN 17 14.363 -0.385 6.598 135 HB2 ASN 17 HB2 ASN 17 11.950 -0.340 6.106 136 HB3 ASN 17 HB1 ASN 17 11.600 0.039 7.792 137 HD21 ASN 17 HD21 ASN 17 11.971 2.111 8.553 138 HD22 ASN 17 HD22 ASN 17 12.278 3.444 7.502 139 H GLU 18 HN GLU 18 12.996 -0.750 9.816 140 HA GLU 18 HA GLU 18 13.984 1.602 10.968 141 HB2 GLU 18 HB2 GLU 18 12.272 -0.062 11.892 142 HB3 GLU 18 HB1 GLU 18 13.645 -1.024 12.412 143 HG2 GLU 18 HG2 GLU 18 12.813 0.297 14.240 144 HG3 GLU 18 HG1 GLU 18 14.422 0.853 13.780 145 H ARG 19 HN ARG 19 15.394 -1.591 10.516 146 HA ARG 19 HA ARG 19 17.750 -1.115 12.022 147 HB2 ARG 19 HB2 ARG 19 17.016 -3.407 11.333 148 HB3 ARG 19 HB1 ARG 19 17.446 -3.012 9.672 149 HG2 ARG 19 HG2 ARG 19 19.766 -2.716 10.332 150 HG3 ARG 19 HG1 ARG 19 19.342 -3.071 12.007 151 HD2 ARG 19 HD2 ARG 19 18.577 -5.306 11.305 152 HD3 ARG 19 HD1 ARG 19 19.084 -4.941 9.656 153 HE ARG 19 HE ARG 19 21.250 -4.511 11.384 154 HH11 ARG 19 HH11 ARG 19 19.347 -7.168 10.111 155 HH12 ARG 19 HH12 ARG 19 20.631 -8.315 10.231 156 HH21 ARG 19 HH21 ARG 19 22.946 -6.024 11.556 157 HH22 ARG 19 HH22 ARG 19 22.694 -7.660 11.055 158 H HIS 20 HN HIS 20 16.909 -0.648 8.635 159 HA HIS 20 HA HIS 20 19.409 0.226 7.694 160 HB2 HIS 20 HB2 HIS 20 17.603 -0.232 6.107 161 HB3 HIS 20 HB1 HIS 20 16.636 1.079 6.780 162 HD1 HIS 20 HD1 HIS 20 17.212 3.491 6.049 163 HD2 HIS 20 HD2 HIS 20 19.703 0.577 4.404 164 HE1 HIS 20 HE1 HIS 20 18.506 4.647 4.234 165 H GLU 21 HN GLU 21 16.789 1.992 9.259 166 HA GLU 21 HA GLU 21 17.990 4.562 9.000 167 HB2 GLU 21 HB2 GLU 21 15.963 3.688 11.063 168 HB3 GLU 21 HB1 GLU 21 16.278 5.328 10.516 169 HG2 GLU 21 HG2 GLU 21 15.087 3.098 8.879 170 HG3 GLU 21 HG1 GLU 21 14.225 4.476 9.558 171 H GLU 22 HN GLU 22 17.971 2.074 11.464 172 HA GLU 22 HA GLU 22 19.388 3.482 13.457 173 HB2 GLU 22 HB2 GLU 22 18.184 1.338 13.876 174 HB3 GLU 22 HB1 GLU 22 19.408 0.492 12.938 175 HG2 GLU 22 HG2 GLU 22 21.091 1.045 14.555 176 HG3 GLU 22 HG1 GLU 22 19.950 2.048 15.449 177 H ALA 23 HN ALA 23 20.463 1.418 10.804 178 HA ALA 23 HA ALA 23 23.253 1.662 11.383 179 HB1 ALA 23 HB1 ALA 23 21.925 0.894 8.769 180 HB2 ALA 23 HB2 ALA 23 22.375 -0.225 10.061 181 HB3 ALA 23 HB3 ALA 23 23.620 0.662 9.188 182 H GLU 24 HN GLU 24 20.950 3.548 9.692 183 HA GLU 24 HA GLU 24 22.676 5.098 8.075 184 HB2 GLU 24 HB2 GLU 24 20.285 5.121 7.648 185 HB3 GLU 24 HB1 GLU 24 19.943 5.781 9.236 186 HG2 GLU 24 HG2 GLU 24 21.223 7.816 8.551 187 HG3 GLU 24 HG1 GLU 24 21.280 7.138 6.922 188 H LEU 25 HN LEU 25 21.218 5.844 11.219 189 HA LEU 25 HA LEU 25 22.734 8.133 11.783 190 HB2 LEU 25 HB2 LEU 25 21.244 6.170 13.459 191 HB3 LEU 25 HB1 LEU 25 22.360 7.242 14.274 192 HG LEU 25 HG LEU 25 21.118 9.188 13.357 193 HD11 LEU 25 HD11 LEU 25 18.894 8.851 12.405 194 HD12 LEU 25 HD12 LEU 25 19.175 7.115 12.355 195 HD13 LEU 25 HD13 LEU 25 20.159 8.201 11.367 196 HD21 LEU 25 HD21 LEU 25 19.468 7.219 14.931 197 HD22 LEU 25 HD22 LEU 25 19.163 8.952 14.811 198 HD23 LEU 25 HD23 LEU 25 20.635 8.367 15.588 199 H GLU 26 HN GLU 26 23.339 4.795 12.448 200 HA GLU 26 HA GLU 26 25.695 4.933 13.937 201 HB2 GLU 26 HB2 GLU 26 24.457 2.842 13.490 202 HB3 GLU 26 HB1 GLU 26 25.065 2.855 11.842 203 HG2 GLU 26 HG2 GLU 26 27.365 2.723 12.735 204 HG3 GLU 26 HG1 GLU 26 26.687 2.583 14.358 205 H ARG 27 HN ARG 27 25.416 4.744 10.375 206 HA ARG 27 HA ARG 27 28.238 5.091 10.017 207 HB2 ARG 27 HB2 ARG 27 27.759 5.224 7.618 208 HB3 ARG 27 HB1 ARG 27 26.946 3.853 8.349 209 HG2 ARG 27 HG2 ARG 27 24.851 5.122 8.373 210 HG3 ARG 27 HG1 ARG 27 25.679 6.481 7.610 211 HD2 ARG 27 HD2 ARG 27 24.466 5.177 5.954 212 HD3 ARG 27 HD1 ARG 27 26.203 5.069 5.680 213 HE ARG 27 HE ARG 27 25.333 2.915 7.291 214 HH11 ARG 27 HH11 ARG 27 25.228 4.062 3.972 215 HH12 ARG 27 HH12 ARG 27 25.117 2.475 3.295 216 HH21 ARG 27 HH21 ARG 27 25.176 0.804 6.382 217 HH22 ARG 27 HH22 ARG 27 25.081 0.617 4.667 218 H LEU 28 HN LEU 28 25.472 7.205 10.116 219 HA LEU 28 HA LEU 28 26.665 9.495 8.980 220 HB2 LEU 28 HB2 LEU 28 24.223 9.303 9.383 221 HB3 LEU 28 HB1 LEU 28 24.514 9.405 11.111 222 HG LEU 28 HG LEU 28 25.394 11.693 10.805 223 HD11 LEU 28 HD11 LEU 28 24.532 11.308 7.942 224 HD12 LEU 28 HD12 LEU 28 26.184 11.524 8.520 225 HD13 LEU 28 HD13 LEU 28 25.019 12.839 8.668 226 HD21 LEU 28 HD21 LEU 28 23.234 12.747 10.346 227 HD22 LEU 28 HD22 LEU 28 23.052 11.338 11.391 228 HD23 LEU 28 HD23 LEU 28 22.632 11.228 9.682 229 H LYS 29 HN LYS 29 26.476 8.383 12.350 230 HA LYS 29 HA LYS 29 27.836 10.516 13.541 231 HB2 LYS 29 HB2 LYS 29 27.804 7.589 14.304 232 HB3 LYS 29 HB1 LYS 29 28.522 8.847 15.294 233 HG2 LYS 29 HG2 LYS 29 26.332 9.937 15.480 234 HG3 LYS 29 HG1 LYS 29 25.622 8.632 14.521 235 HD2 LYS 29 HD2 LYS 29 26.256 7.009 16.203 236 HD3 LYS 29 HD1 LYS 29 27.076 8.260 17.138 237 HE2 LYS 29 HE2 LYS 29 24.938 9.409 17.460 238 HE3 LYS 29 HE1 LYS 29 24.124 8.150 16.533 239 HZ1 LYS 29 HZ1 LYS 29 23.910 7.785 18.913 240 HZ2 LYS 29 HZ2 LYS 29 25.588 7.735 19.085 241 HZ3 LYS 29 HZ3 LYS 29 24.793 6.538 18.196 242 H SER 30 HN SER 30 29.079 7.564 12.027 243 HA SER 30 HA SER 30 31.772 7.923 12.613 244 HB2 SER 30 HB2 SER 30 30.566 6.640 10.148 245 HB3 SER 30 HB1 SER 30 32.181 6.353 10.793 246 HG SER 30 HG SER 30 29.677 5.600 11.888 247 H GLU 31 HN GLU 31 29.795 9.109 9.922 248 HA GLU 31 HA GLU 31 31.890 10.308 8.455 249 HB2 GLU 31 HB2 GLU 31 29.625 9.758 7.549 250 HB3 GLU 31 HB1 GLU 31 28.948 11.049 8.522 251 HG2 GLU 31 HG2 GLU 31 31.077 11.586 6.469 252 HG3 GLU 31 HG1 GLU 31 29.374 11.481 6.030 253 H ARG 32 HN ARG 32 29.475 11.707 10.673 254 HA ARG 32 HA ARG 32 30.370 14.316 10.703 255 HB2 ARG 32 HB2 ARG 32 29.291 12.836 13.111 256 HB3 ARG 32 HB1 ARG 32 29.294 14.574 12.874 257 HG2 ARG 32 HG2 ARG 32 27.633 12.503 11.463 258 HG3 ARG 32 HG1 ARG 32 27.088 13.850 12.461 259 HD2 ARG 32 HD2 ARG 32 28.329 13.976 9.719 260 HD3 ARG 32 HD1 ARG 32 26.673 14.380 10.160 261 HE ARG 32 HE ARG 32 27.737 16.219 11.530 262 HH11 ARG 32 HH11 ARG 32 29.161 14.946 8.574 263 HH12 ARG 32 HH12 ARG 32 30.035 16.391 8.218 264 HH21 ARG 32 HH21 ARG 32 28.891 18.148 11.058 265 HH22 ARG 32 HH22 ARG 32 29.865 18.236 9.639 266 H HIS 33 HN HIS 33 31.441 11.665 12.825 267 HA HIS 33 HA HIS 33 33.285 13.275 14.273 268 HB2 HIS 33 HB2 HIS 33 33.016 10.288 14.002 269 HB3 HIS 33 HB1 HIS 33 34.244 11.045 15.009 270 HD1 HIS 33 HD1 HIS 33 31.128 9.523 15.379 271 HD2 HIS 33 HD2 HIS 33 32.746 13.064 16.818 272 HE1 HIS 33 HE1 HIS 33 29.740 10.124 17.374 273 H ASP 34 HN ASP 34 33.560 11.418 11.333 274 HA ASP 34 HA ASP 34 36.438 11.470 11.313 275 HB2 ASP 34 HB2 ASP 34 35.212 9.684 10.125 276 HB3 ASP 34 HB1 ASP 34 34.543 10.884 9.021 277 H HIS 35 HN HIS 35 33.968 13.586 10.372 278 HA HIS 35 HA HIS 35 35.806 15.120 8.695 279 HB2 HIS 35 HB2 HIS 35 32.819 15.201 8.942 280 HB3 HIS 35 HB1 HIS 35 33.701 16.585 8.300 281 HD2 HIS 35 HD2 HIS 35 33.410 12.740 7.419 282 HE1 HIS 35 HE1 HIS 35 34.346 14.949 3.929 283 HE2 HIS 35 HE2 HIS 35 33.591 12.740 4.847 284 H ASP 36 HN ASP 36 34.185 15.187 11.726 285 HA ASP 36 HA ASP 36 34.551 17.874 12.447 286 HB2 ASP 36 HB2 ASP 36 33.219 16.346 13.844 287 HB3 ASP 36 HB1 ASP 36 34.665 15.424 14.244 288 H LYS 37 HN LYS 37 36.776 15.254 12.182 289 HA LYS 37 HA LYS 37 38.972 16.130 13.651 290 HB2 LYS 37 HB2 LYS 37 38.970 14.764 10.954 291 HB3 LYS 37 HB1 LYS 37 40.332 14.846 12.056 292 HG2 LYS 37 HG2 LYS 37 39.230 13.435 13.634 293 HG3 LYS 37 HG1 LYS 37 37.721 13.503 12.714 294 HD2 LYS 37 HD2 LYS 37 38.812 12.389 10.835 295 HD3 LYS 37 HD1 LYS 37 40.324 12.338 11.738 296 HE2 LYS 37 HE2 LYS 37 39.377 10.858 13.354 297 HE3 LYS 37 HE1 LYS 37 37.771 11.024 12.651 298 HZ1 LYS 37 HZ1 LYS 37 40.128 9.826 11.296 299 HZ2 LYS 37 HZ2 LYS 37 38.573 9.955 10.639 300 HZ3 LYS 37 HZ3 LYS 37 38.846 8.958 11.976 301 H LYS 38 HN LYS 38 37.792 17.093 10.486 302 HA LYS 38 HA LYS 38 40.039 18.949 10.185 303 HB2 LYS 38 HB2 LYS 38 37.951 18.185 8.116 304 HB3 LYS 38 HB1 LYS 38 39.385 19.158 7.850 305 HG2 LYS 38 HG2 LYS 38 40.792 17.228 8.310 306 HG3 LYS 38 HG1 LYS 38 39.356 16.249 8.624 307 HD2 LYS 38 HD2 LYS 38 38.587 16.678 6.322 308 HD3 LYS 38 HD1 LYS 38 40.060 17.598 6.016 309 HE2 LYS 38 HE2 LYS 38 40.305 15.374 5.125 310 HE3 LYS 38 HE1 LYS 38 41.382 15.566 6.506 311 HZ1 LYS 38 HZ1 LYS 38 40.217 13.438 6.499 312 HZ2 LYS 38 HZ2 LYS 38 38.731 14.234 6.589 313 HZ3 LYS 38 HZ3 LYS 38 39.830 14.349 7.864 314 H GLU 39 HN GLU 39 36.479 18.897 9.778 315 HA GLU 39 HA GLU 39 35.861 21.202 11.155 316 HB2 GLU 39 HB2 GLU 39 37.282 22.350 9.453 317 HB3 GLU 39 HB1 GLU 39 36.241 21.722 8.188 318 HG2 GLU 39 HG2 GLU 39 34.365 23.002 9.114 319 HG3 GLU 39 HG1 GLU 39 35.435 23.649 10.358 320 H ALA 40 HN ALA 40 33.607 21.666 10.953 321 HA ALA 40 HA ALA 40 32.115 19.461 9.874 322 HB1 ALA 40 HB1 ALA 40 30.146 20.508 10.865 323 HB2 ALA 40 HB2 ALA 40 31.053 21.983 11.182 324 HB3 ALA 40 HB3 ALA 40 31.468 20.490 12.029 325 H GLU 41 HN GLU 41 29.793 20.356 8.731 326 HA GLU 41 HA GLU 41 28.909 20.986 6.808 327 HB2 GLU 41 HB2 GLU 41 30.736 23.363 7.151 328 HB3 GLU 41 HB1 GLU 41 29.446 23.264 5.963 329 HG2 GLU 41 HG2 GLU 41 27.864 22.887 7.883 330 HG3 GLU 41 HG1 GLU 41 29.200 23.303 8.954 331 H ARG 42 HN ARG 42 29.637 19.294 5.631 332 HA ARG 42 HA ARG 42 31.635 19.855 3.698 333 HB2 ARG 42 HB2 ARG 42 31.672 17.494 5.580 334 HB3 ARG 42 HB1 ARG 42 32.496 17.479 4.030 335 HG2 ARG 42 HG2 ARG 42 33.059 19.339 6.339 336 HG3 ARG 42 HG1 ARG 42 34.055 17.979 5.811 337 HD2 ARG 42 HD2 ARG 42 34.247 19.134 3.583 338 HD3 ARG 42 HD1 ARG 42 33.487 20.539 4.326 339 HE ARG 42 HE ARG 42 36.165 19.504 4.830 340 HH11 ARG 42 HH11 ARG 42 33.675 21.833 5.715 341 HH12 ARG 42 HH12 ARG 42 34.804 22.963 6.390 342 HH21 ARG 42 HH21 ARG 42 37.646 21.013 5.707 343 HH22 ARG 42 HH22 ARG 42 37.062 22.495 6.376 344 H LYS 43 HN LYS 43 31.203 18.961 1.952 345 HA LYS 43 HA LYS 43 28.670 18.257 1.072 346 HB2 LYS 43 HB2 LYS 43 31.327 17.641 -0.210 347 HB3 LYS 43 HB1 LYS 43 29.780 17.399 -1.005 348 HG2 LYS 43 HG2 LYS 43 30.819 20.039 0.004 349 HG3 LYS 43 HG1 LYS 43 30.870 19.487 -1.671 350 HD2 LYS 43 HD2 LYS 43 28.392 19.308 -1.630 351 HD3 LYS 43 HD1 LYS 43 28.405 19.998 -0.007 352 HE2 LYS 43 HE2 LYS 43 27.926 21.697 -1.700 353 HE3 LYS 43 HE1 LYS 43 29.439 22.028 -0.860 354 HZ1 LYS 43 HZ1 LYS 43 29.243 20.701 -3.507 355 HZ2 LYS 43 HZ2 LYS 43 30.662 21.174 -2.725 356 HZ3 LYS 43 HZ3 LYS 43 29.578 22.340 -3.287 357 H ALA 44 HN ALA 44 30.748 16.290 2.826 358 HA ALA 44 HA ALA 44 30.117 13.741 1.704 359 HB1 ALA 44 HB1 ALA 44 30.992 14.366 4.532 360 HB2 ALA 44 HB2 ALA 44 32.073 14.044 3.172 361 HB3 ALA 44 HB3 ALA 44 30.993 12.784 3.762 362 H LEU 45 HN LEU 45 28.466 15.950 3.691 363 HA LEU 45 HA LEU 45 26.632 14.290 5.010 364 HB2 LEU 45 HB2 LEU 45 26.901 16.700 5.473 365 HB3 LEU 45 HB1 LEU 45 26.190 17.075 3.916 366 HG LEU 45 HG LEU 45 24.067 16.034 4.679 367 HD11 LEU 45 HD11 LEU 45 25.493 15.860 7.328 368 HD12 LEU 45 HD12 LEU 45 24.940 14.505 6.342 369 HD13 LEU 45 HD13 LEU 45 23.767 15.599 7.075 370 HD21 LEU 45 HD21 LEU 45 23.430 17.855 6.184 371 HD22 LEU 45 HD22 LEU 45 24.397 18.441 4.830 372 HD23 LEU 45 HD23 LEU 45 25.132 18.252 6.423 373 H GLU 46 HN GLU 46 26.854 15.286 1.669 374 HA GLU 46 HA GLU 46 24.198 14.447 0.959 375 HB2 GLU 46 HB2 GLU 46 25.416 16.195 -0.323 376 HB3 GLU 46 HB1 GLU 46 26.604 14.993 -0.806 377 HG2 GLU 46 HG2 GLU 46 24.844 13.756 -1.976 378 HG3 GLU 46 HG1 GLU 46 23.688 15.011 -1.526 379 H ASP 47 HN ASP 47 27.198 12.955 1.470 380 HA ASP 47 HA ASP 47 26.752 10.690 -0.269 381 HB2 ASP 47 HB2 ASP 47 28.874 11.218 1.827 382 HB3 ASP 47 HB1 ASP 47 28.764 9.715 0.921 383 H LYS 48 HN LYS 48 25.504 11.679 2.563 384 HA LYS 48 HA LYS 48 25.262 9.441 4.181 385 HB2 LYS 48 HB2 LYS 48 24.425 11.656 4.853 386 HB3 LYS 48 HB1 LYS 48 23.175 11.573 3.619 387 HG2 LYS 48 HG2 LYS 48 22.225 9.611 4.808 388 HG3 LYS 48 HG1 LYS 48 23.417 9.870 6.085 389 HD2 LYS 48 HD2 LYS 48 22.532 12.111 6.470 390 HD3 LYS 48 HD1 LYS 48 21.359 11.878 5.174 391 HE2 LYS 48 HE2 LYS 48 20.407 9.974 6.436 392 HE3 LYS 48 HE1 LYS 48 21.531 10.321 7.748 393 HZ1 LYS 48 HZ1 LYS 48 19.365 11.281 8.172 394 HZ2 LYS 48 HZ2 LYS 48 19.432 12.161 6.735 395 HZ3 LYS 48 HZ3 LYS 48 20.512 12.506 7.981 396 H LEU 49 HN LEU 49 23.467 10.316 1.256 397 HA LEU 49 HA LEU 49 22.519 7.561 1.110 398 HB2 LEU 49 HB2 LEU 49 20.772 9.089 2.107 399 HB3 LEU 49 HB1 LEU 49 20.742 9.936 0.575 400 HG LEU 49 HG LEU 49 19.965 7.890 -0.543 401 HD11 LEU 49 HD11 LEU 49 19.243 5.974 0.805 402 HD12 LEU 49 HD12 LEU 49 19.938 6.726 2.240 403 HD13 LEU 49 HD13 LEU 49 20.983 6.228 0.909 404 HD21 LEU 49 HD21 LEU 49 18.361 9.505 0.296 405 HD22 LEU 49 HD22 LEU 49 18.340 8.693 1.860 406 HD23 LEU 49 HD23 LEU 49 17.722 7.866 0.428 407 H ALA 50 HN ALA 50 24.497 9.457 -0.228 408 HA ALA 50 HA ALA 50 23.623 9.858 -2.910 409 HB1 ALA 50 HB1 ALA 50 25.925 10.374 -3.435 410 HB2 ALA 50 HB2 ALA 50 26.463 9.653 -1.921 411 HB3 ALA 50 HB3 ALA 50 25.487 11.125 -1.902 412 H ASP 51 HN ASP 51 24.851 8.849 -4.814 413 HA ASP 51 HA ASP 51 25.205 5.969 -4.360 414 HB2 ASP 51 HB2 ASP 51 23.028 6.559 -5.510 415 HB3 ASP 51 HB1 ASP 51 23.980 7.226 -6.832 416 H TYR 52 HN TYR 52 26.881 5.022 -5.449 417 HA TYR 52 HA TYR 52 28.820 4.779 -6.602 418 HB2 TYR 52 HB2 TYR 52 28.080 7.440 -7.823 419 HB3 TYR 52 HB1 TYR 52 29.615 6.657 -8.159 420 HD1 TYR 52 HD1 TYR 52 26.559 7.239 -9.512 421 HD2 TYR 52 HD2 TYR 52 29.152 3.969 -8.702 422 HE1 TYR 52 HE1 TYR 52 25.497 5.957 -11.319 423 HE2 TYR 52 HE2 TYR 52 28.096 2.678 -10.507 424 HH TYR 52 HH TYR 52 26.109 4.074 -12.824 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 0.293 -5.767 -9.981 2 H2 GLY 1 HT2 GLY 1 0.456 -7.202 -9.104 3 H3 GLY 1 HT3 GLY 1 1.788 -6.181 -9.306 4 HA2 GLY 1 HA1 GLY 1 0.682 -4.456 -8.021 5 HA3 GLY 1 HA2 GLY 1 -0.669 -5.551 -7.773 6 H SER 2 HN SER 2 -0.301 -5.311 -5.506 7 HA SER 2 HA SER 2 2.171 -6.336 -4.409 8 HB2 SER 2 HB2 SER 2 -0.355 -5.297 -3.114 9 HB3 SER 2 HB1 SER 2 1.068 -5.823 -2.215 10 HG SER 2 HG SER 2 1.157 -3.832 -4.233 11 H VAL 3 HN VAL 3 1.173 -7.638 -2.087 12 HA VAL 3 HA VAL 3 -0.410 -9.869 -2.982 13 HB VAL 3 HB VAL 3 1.320 -11.540 -2.121 14 HG11 VAL 3 HG11 VAL 3 1.976 -10.041 -4.648 15 HG12 VAL 3 HG12 VAL 3 0.810 -11.354 -4.485 16 HG13 VAL 3 HG13 VAL 3 2.529 -11.665 -4.245 17 HG21 VAL 3 HG21 VAL 3 2.809 -9.967 -1.002 18 HG22 VAL 3 HG22 VAL 3 3.194 -9.215 -2.551 19 HG23 VAL 3 HG23 VAL 3 3.677 -10.881 -2.237 20 H GLU 4 HN GLU 4 1.514 -8.333 -0.454 21 HA GLU 4 HA GLU 4 -0.436 -9.214 1.519 22 HB2 GLU 4 HB2 GLU 4 2.580 -9.460 1.819 23 HB3 GLU 4 HB1 GLU 4 1.424 -9.655 3.143 24 HG2 GLU 4 HG2 GLU 4 1.435 -11.347 0.665 25 HG3 GLU 4 HG1 GLU 4 2.344 -11.740 2.121 26 H LYS 5 HN LYS 5 2.266 -7.669 2.874 27 HA LYS 5 HA LYS 5 2.526 -5.651 3.897 28 HB2 LYS 5 HB2 LYS 5 1.312 -4.773 1.290 29 HB3 LYS 5 HB1 LYS 5 1.690 -3.607 2.547 30 HG2 LYS 5 HG2 LYS 5 4.050 -4.612 2.489 31 HG3 LYS 5 HG1 LYS 5 3.554 -5.319 0.950 32 HD2 LYS 5 HD2 LYS 5 3.455 -2.378 1.630 33 HD3 LYS 5 HD1 LYS 5 4.714 -3.157 0.673 34 HE2 LYS 5 HE2 LYS 5 1.792 -3.198 -0.050 35 HE3 LYS 5 HE1 LYS 5 2.929 -1.994 -0.649 36 HZ1 LYS 5 HZ1 LYS 5 2.554 -3.879 -2.176 37 HZ2 LYS 5 HZ2 LYS 5 3.260 -4.915 -1.034 38 HZ3 LYS 5 HZ3 LYS 5 4.174 -3.683 -1.733 39 H LEU 6 HN LEU 6 0.049 -7.211 4.147 40 HA LEU 6 HA LEU 6 -1.666 -5.135 5.338 41 HB2 LEU 6 HB2 LEU 6 -2.628 -7.573 3.836 42 HB3 LEU 6 HB1 LEU 6 -3.656 -6.445 4.695 43 HG LEU 6 HG LEU 6 -1.996 -5.803 2.255 44 HD11 LEU 6 HD11 LEU 6 -4.152 -5.599 1.124 45 HD12 LEU 6 HD12 LEU 6 -4.971 -6.127 2.594 46 HD13 LEU 6 HD13 LEU 6 -3.893 -7.231 1.740 47 HD21 LEU 6 HD21 LEU 6 -2.192 -3.868 3.703 48 HD22 LEU 6 HD22 LEU 6 -3.935 -4.109 3.827 49 HD23 LEU 6 HD23 LEU 6 -3.213 -3.663 2.280 50 H THR 7 HN THR 7 0.014 -8.102 5.657 51 HA THR 7 HA THR 7 -1.463 -8.701 7.989 52 HB THR 7 HB THR 7 -0.765 -11.007 7.723 53 HG1 THR 7 HG1 THR 7 1.051 -9.956 5.763 54 HG21 THR 7 HG21 THR 7 -2.542 -10.364 6.177 55 HG22 THR 7 HG22 THR 7 -1.493 -11.592 5.467 56 HG23 THR 7 HG23 THR 7 -1.335 -9.907 4.974 57 H ALA 8 HN ALA 8 0.443 -10.107 9.248 58 HA ALA 8 HA ALA 8 1.925 -8.102 10.566 59 HB1 ALA 8 HB1 ALA 8 1.295 -10.203 11.699 60 HB2 ALA 8 HB2 ALA 8 3.023 -9.887 11.804 61 HB3 ALA 8 HB3 ALA 8 2.422 -11.087 10.665 62 H ASP 9 HN ASP 9 2.440 -9.706 7.694 63 HA ASP 9 HA ASP 9 5.253 -9.791 7.528 64 HB2 ASP 9 HB2 ASP 9 5.006 -10.035 5.188 65 HB3 ASP 9 HB1 ASP 9 3.552 -10.772 5.834 66 H ALA 10 HN ALA 10 2.851 -7.245 7.084 67 HA ALA 10 HA ALA 10 4.578 -5.266 6.043 68 HB1 ALA 10 HB1 ALA 10 2.126 -5.010 6.062 69 HB2 ALA 10 HB2 ALA 10 2.936 -3.625 6.786 70 HB3 ALA 10 HB3 ALA 10 2.166 -4.825 7.819 71 H GLU 11 HN GLU 11 4.124 -6.400 9.303 72 HA GLU 11 HA GLU 11 5.411 -4.210 10.620 73 HB2 GLU 11 HB2 GLU 11 3.871 -5.818 11.781 74 HB3 GLU 11 HB1 GLU 11 5.092 -7.071 11.598 75 HG2 GLU 11 HG2 GLU 11 5.170 -6.197 13.818 76 HG3 GLU 11 HG1 GLU 11 6.631 -5.709 12.957 77 H LEU 12 HN LEU 12 6.393 -7.367 9.475 78 HA LEU 12 HA LEU 12 9.055 -7.420 10.351 79 HB2 LEU 12 HB2 LEU 12 7.689 -8.677 7.965 80 HB3 LEU 12 HB1 LEU 12 9.402 -8.859 8.225 81 HG LEU 12 HG LEU 12 9.115 -10.217 10.120 82 HD11 LEU 12 HD11 LEU 12 6.999 -10.551 11.287 83 HD12 LEU 12 HD12 LEU 12 6.219 -9.385 10.218 84 HD13 LEU 12 HD13 LEU 12 7.486 -8.856 11.324 85 HD21 LEU 12 HD21 LEU 12 8.535 -11.348 8.049 86 HD22 LEU 12 HD22 LEU 12 6.852 -10.849 8.239 87 HD23 LEU 12 HD23 LEU 12 7.575 -11.972 9.393 88 H GLN 13 HN GLN 13 7.622 -6.096 7.427 89 HA GLN 13 HA GLN 13 9.983 -5.330 6.124 90 HB2 GLN 13 HB2 GLN 13 7.226 -4.107 5.956 91 HB3 GLN 13 HB1 GLN 13 8.541 -3.787 4.838 92 HG2 GLN 13 HG2 GLN 13 8.555 -6.116 4.155 93 HG3 GLN 13 HG1 GLN 13 7.270 -6.469 5.309 94 HE21 GLN 13 HE21 GLN 13 5.891 -7.170 3.717 95 HE22 GLN 13 HE22 GLN 13 5.131 -6.099 2.595 96 H ARG 14 HN ARG 14 7.863 -3.519 8.322 97 HA ARG 14 HA ARG 14 9.296 -1.077 8.119 98 HB2 ARG 14 HB2 ARG 14 6.988 -1.138 8.991 99 HB3 ARG 14 HB1 ARG 14 7.548 -2.014 10.414 100 HG2 ARG 14 HG2 ARG 14 8.979 -0.075 10.985 101 HG3 ARG 14 HG1 ARG 14 8.281 0.797 9.621 102 HD2 ARG 14 HD2 ARG 14 7.174 1.430 11.683 103 HD3 ARG 14 HD1 ARG 14 6.057 0.564 10.631 104 HE ARG 14 HE ARG 14 6.525 -1.431 12.057 105 HH11 ARG 14 HH11 ARG 14 7.000 1.797 13.376 106 HH12 ARG 14 HH12 ARG 14 6.742 1.294 15.007 107 HH21 ARG 14 HH21 ARG 14 6.186 -2.075 14.173 108 HH22 ARG 14 HH22 ARG 14 6.286 -0.930 15.480 109 H LEU 15 HN LEU 15 9.531 -3.768 10.342 110 HA LEU 15 HA LEU 15 11.345 -2.606 12.171 111 HB2 LEU 15 HB2 LEU 15 11.070 -5.521 11.439 112 HB3 LEU 15 HB1 LEU 15 11.927 -4.907 12.837 113 HG LEU 15 HG LEU 15 8.963 -4.761 12.334 114 HD11 LEU 15 HD11 LEU 15 10.571 -6.261 14.382 115 HD12 LEU 15 HD12 LEU 15 9.736 -6.954 12.993 116 HD13 LEU 15 HD13 LEU 15 8.811 -6.201 14.292 117 HD21 LEU 15 HD21 LEU 15 10.577 -3.685 14.647 118 HD22 LEU 15 HD22 LEU 15 8.819 -3.772 14.585 119 HD23 LEU 15 HD23 LEU 15 9.687 -2.731 13.460 120 H LYS 16 HN LYS 16 11.875 -4.507 9.308 121 HA LYS 16 HA LYS 16 14.749 -4.454 9.558 122 HB2 LYS 16 HB2 LYS 16 13.632 -6.264 8.291 123 HB3 LYS 16 HB1 LYS 16 13.126 -5.090 7.083 124 HG2 LYS 16 HG2 LYS 16 15.403 -4.678 6.443 125 HG3 LYS 16 HG1 LYS 16 15.999 -5.674 7.768 126 HD2 LYS 16 HD2 LYS 16 16.177 -7.055 5.883 127 HD3 LYS 16 HD1 LYS 16 14.698 -7.593 6.669 128 HE2 LYS 16 HE2 LYS 16 14.794 -5.647 4.360 129 HE3 LYS 16 HE1 LYS 16 14.539 -7.380 4.184 130 HZ1 LYS 16 HZ1 LYS 16 12.763 -5.422 5.521 131 HZ2 LYS 16 HZ2 LYS 16 12.553 -7.098 5.640 132 HZ3 LYS 16 HZ3 LYS 16 12.441 -6.338 4.140 133 H ASN 17 HN ASN 17 12.388 -2.586 7.785 134 HA ASN 17 HA ASN 17 14.243 -1.020 6.295 135 HB2 ASN 17 HB2 ASN 17 11.849 -1.134 5.665 136 HB3 ASN 17 HB1 ASN 17 11.422 -0.268 7.140 137 HD21 ASN 17 HD21 ASN 17 12.918 -0.039 4.008 138 HD22 ASN 17 HD22 ASN 17 12.892 1.686 3.913 139 H GLU 18 HN GLU 18 12.814 -0.706 9.468 140 HA GLU 18 HA GLU 18 13.648 1.872 10.140 141 HB2 GLU 18 HB2 GLU 18 12.076 0.392 11.434 142 HB3 GLU 18 HB1 GLU 18 13.470 -0.522 11.982 143 HG2 GLU 18 HG2 GLU 18 12.801 0.997 13.701 144 HG3 GLU 18 HG1 GLU 18 14.345 1.530 13.042 145 H ARG 19 HN ARG 19 15.333 -1.216 10.169 146 HA ARG 19 HA ARG 19 17.622 -0.308 11.582 147 HB2 ARG 19 HB2 ARG 19 17.450 -2.623 9.646 148 HB3 ARG 19 HB1 ARG 19 18.693 -2.370 10.863 149 HG2 ARG 19 HG2 ARG 19 15.789 -3.011 11.317 150 HG3 ARG 19 HG1 ARG 19 17.189 -4.018 11.688 151 HD2 ARG 19 HD2 ARG 19 17.899 -2.503 13.410 152 HD3 ARG 19 HD1 ARG 19 16.666 -1.331 12.949 153 HE ARG 19 HE ARG 19 15.813 -3.972 13.863 154 HH11 ARG 19 HH11 ARG 19 16.095 -0.522 14.479 155 HH12 ARG 19 HH12 ARG 19 14.957 -0.538 15.776 156 HH21 ARG 19 HH21 ARG 19 14.297 -3.973 15.585 157 HH22 ARG 19 HH22 ARG 19 13.928 -2.498 16.406 158 H HIS 20 HN HIS 20 16.702 -0.241 8.225 159 HA HIS 20 HA HIS 20 19.185 0.438 7.092 160 HB2 HIS 20 HB2 HIS 20 16.384 1.258 6.274 161 HB3 HIS 20 HB1 HIS 20 17.811 1.692 5.347 162 HD1 HIS 20 HD1 HIS 20 17.655 0.288 3.308 163 HD2 HIS 20 HD2 HIS 20 16.899 -1.902 6.759 164 HE1 HIS 20 HE1 HIS 20 17.378 -2.085 2.548 165 H GLU 21 HN GLU 21 16.683 2.472 8.529 166 HA GLU 21 HA GLU 21 18.041 4.959 8.204 167 HB2 GLU 21 HB2 GLU 21 15.611 4.847 8.663 168 HB3 GLU 21 HB1 GLU 21 15.939 4.186 10.260 169 HG2 GLU 21 HG2 GLU 21 17.140 6.302 10.802 170 HG3 GLU 21 HG1 GLU 21 16.594 6.943 9.253 171 H GLU 22 HN GLU 22 18.151 2.433 10.574 172 HA GLU 22 HA GLU 22 19.465 3.834 12.655 173 HB2 GLU 22 HB2 GLU 22 18.340 1.688 13.071 174 HB3 GLU 22 HB1 GLU 22 19.481 0.862 12.023 175 HG2 GLU 22 HG2 GLU 22 20.011 0.465 14.333 176 HG3 GLU 22 HG1 GLU 22 21.288 1.411 13.571 177 H ALA 23 HN ALA 23 20.730 1.707 10.049 178 HA ALA 23 HA ALA 23 23.437 2.006 10.705 179 HB1 ALA 23 HB1 ALA 23 23.912 1.178 8.461 180 HB2 ALA 23 HB2 ALA 23 22.241 1.444 7.981 181 HB3 ALA 23 HB3 ALA 23 22.629 0.233 9.208 182 H GLU 24 HN GLU 24 21.264 4.132 9.135 183 HA GLU 24 HA GLU 24 23.230 5.686 7.738 184 HB2 GLU 24 HB2 GLU 24 20.389 6.376 8.546 185 HB3 GLU 24 HB1 GLU 24 21.430 7.443 7.620 186 HG2 GLU 24 HG2 GLU 24 20.550 4.695 6.784 187 HG3 GLU 24 HG1 GLU 24 19.881 6.218 6.203 188 H LEU 25 HN LEU 25 21.413 6.226 10.747 189 HA LEU 25 HA LEU 25 22.865 8.506 11.552 190 HB2 LEU 25 HB2 LEU 25 21.380 6.490 13.235 191 HB3 LEU 25 HB1 LEU 25 21.919 8.063 13.787 192 HG LEU 25 HG LEU 25 19.863 7.567 11.635 193 HD11 LEU 25 HD11 LEU 25 19.570 8.571 14.456 194 HD12 LEU 25 HD12 LEU 25 19.056 6.998 13.851 195 HD13 LEU 25 HD13 LEU 25 18.281 8.467 13.257 196 HD21 LEU 25 HD21 LEU 25 20.851 10.138 12.869 197 HD22 LEU 25 HD22 LEU 25 19.480 9.994 11.770 198 HD23 LEU 25 HD23 LEU 25 21.105 9.610 11.205 199 H GLU 26 HN GLU 26 23.242 5.119 12.214 200 HA GLU 26 HA GLU 26 25.412 5.231 13.975 201 HB2 GLU 26 HB2 GLU 26 24.217 3.141 13.433 202 HB3 GLU 26 HB1 GLU 26 24.986 3.132 11.851 203 HG2 GLU 26 HG2 GLU 26 27.170 2.943 12.900 204 HG3 GLU 26 HG1 GLU 26 26.414 2.979 14.491 205 H ARG 27 HN ARG 27 25.461 5.133 10.420 206 HA ARG 27 HA ARG 27 28.288 5.262 10.181 207 HB2 ARG 27 HB2 ARG 27 26.804 4.577 8.298 208 HB3 ARG 27 HB1 ARG 27 26.233 6.238 8.172 209 HG2 ARG 27 HG2 ARG 27 28.488 6.973 7.609 210 HG3 ARG 27 HG1 ARG 27 29.065 5.314 7.749 211 HD2 ARG 27 HD2 ARG 27 28.715 5.798 5.433 212 HD3 ARG 27 HD1 ARG 27 27.467 4.675 5.954 213 HE ARG 27 HE ARG 27 27.097 7.543 5.425 214 HH11 ARG 27 HH11 ARG 27 25.738 4.324 5.871 215 HH12 ARG 27 HH12 ARG 27 24.142 4.800 5.378 216 HH21 ARG 27 HH21 ARG 27 24.987 8.147 4.728 217 HH22 ARG 27 HH22 ARG 27 23.716 6.966 4.731 218 H LEU 28 HN LEU 28 25.872 7.610 10.792 219 HA LEU 28 HA LEU 28 27.365 9.939 10.069 220 HB2 LEU 28 HB2 LEU 28 24.902 9.991 10.327 221 HB3 LEU 28 HB1 LEU 28 25.073 9.657 12.040 222 HG LEU 28 HG LEU 28 26.259 11.829 12.291 223 HD11 LEU 28 HD11 LEU 28 25.406 12.224 9.430 224 HD12 LEU 28 HD12 LEU 28 27.064 12.088 10.019 225 HD13 LEU 28 HD13 LEU 28 26.071 13.467 10.489 226 HD21 LEU 28 HD21 LEU 28 23.886 11.620 12.798 227 HD22 LEU 28 HD22 LEU 28 23.485 11.948 11.112 228 HD23 LEU 28 HD23 LEU 28 24.240 13.200 12.100 229 H LYS 29 HN LYS 29 27.192 7.866 12.855 230 HA LYS 29 HA LYS 29 28.649 9.657 14.586 231 HB2 LYS 29 HB2 LYS 29 28.006 6.721 14.929 232 HB3 LYS 29 HB1 LYS 29 28.640 7.788 16.166 233 HG2 LYS 29 HG2 LYS 29 26.565 9.120 16.030 234 HG3 LYS 29 HG1 LYS 29 25.932 7.950 14.869 235 HD2 LYS 29 HD2 LYS 29 26.191 6.169 16.539 236 HD3 LYS 29 HD1 LYS 29 26.789 7.356 17.699 237 HE2 LYS 29 HE2 LYS 29 24.464 6.907 18.131 238 HE3 LYS 29 HE1 LYS 29 24.639 8.554 17.528 239 HZ1 LYS 29 HZ1 LYS 29 22.766 7.358 16.535 240 HZ2 LYS 29 HZ2 LYS 29 23.826 6.223 15.880 241 HZ3 LYS 29 HZ3 LYS 29 23.896 7.840 15.375 242 H SER 30 HN SER 30 29.352 7.272 12.204 243 HA SER 30 HA SER 30 31.948 6.603 13.260 244 HB2 SER 30 HB2 SER 30 30.770 5.958 10.546 245 HB3 SER 30 HB1 SER 30 32.130 5.158 11.333 246 HG SER 30 HG SER 30 29.860 5.166 12.865 247 H GLU 31 HN GLU 31 30.584 8.360 10.500 248 HA GLU 31 HA GLU 31 32.971 9.202 9.337 249 HB2 GLU 31 HB2 GLU 31 30.222 10.432 9.346 250 HB3 GLU 31 HB1 GLU 31 31.553 11.080 8.397 251 HG2 GLU 31 HG2 GLU 31 30.408 8.307 8.154 252 HG3 GLU 31 HG1 GLU 31 30.094 9.657 7.062 253 H ARG 32 HN ARG 32 30.948 10.832 11.762 254 HA ARG 32 HA ARG 32 32.550 13.167 11.868 255 HB2 ARG 32 HB2 ARG 32 30.528 12.049 13.802 256 HB3 ARG 32 HB1 ARG 32 31.316 13.608 14.008 257 HG2 ARG 32 HG2 ARG 32 30.389 14.358 11.879 258 HG3 ARG 32 HG1 ARG 32 29.587 12.801 11.681 259 HD2 ARG 32 HD2 ARG 32 28.283 13.204 13.688 260 HD3 ARG 32 HD1 ARG 32 29.125 14.733 13.945 261 HE ARG 32 HE ARG 32 27.927 14.665 11.379 262 HH11 ARG 32 HH11 ARG 32 27.170 15.062 14.770 263 HH12 ARG 32 HH12 ARG 32 25.766 16.030 14.485 264 HH21 ARG 32 HH21 ARG 32 26.061 15.933 10.976 265 HH22 ARG 32 HH22 ARG 32 25.122 16.518 12.303 266 H HIS 33 HN HIS 33 32.887 10.071 13.240 267 HA HIS 33 HA HIS 33 34.661 10.895 15.361 268 HB2 HIS 33 HB2 HIS 33 33.315 8.956 15.787 269 HB3 HIS 33 HB1 HIS 33 33.821 8.200 14.283 270 HD1 HIS 33 HD1 HIS 33 35.954 6.815 14.317 271 HD2 HIS 33 HD2 HIS 33 35.288 8.907 17.862 272 HE1 HIS 33 HE1 HIS 33 37.634 5.927 15.955 273 H ASP 34 HN ASP 34 34.929 9.278 12.230 274 HA ASP 34 HA ASP 34 37.805 9.131 12.542 275 HB2 ASP 34 HB2 ASP 34 35.939 7.833 10.595 276 HB3 ASP 34 HB1 ASP 34 37.671 7.895 10.288 277 H HIS 35 HN HIS 35 35.786 11.406 11.223 278 HA HIS 35 HA HIS 35 37.315 12.083 8.892 279 HB2 HIS 35 HB2 HIS 35 35.286 13.657 10.474 280 HB3 HIS 35 HB1 HIS 35 36.236 14.426 9.215 281 HD2 HIS 35 HD2 HIS 35 35.659 11.129 7.719 282 HE1 HIS 35 HE1 HIS 35 32.122 13.283 6.820 283 HE2 HIS 35 HE2 HIS 35 33.354 11.106 6.549 284 H ASP 36 HN ASP 36 37.660 12.833 12.251 285 HA ASP 36 HA ASP 36 39.585 14.929 11.864 286 HB2 ASP 36 HB2 ASP 36 38.907 13.323 14.346 287 HB3 ASP 36 HB1 ASP 36 39.985 14.710 14.313 288 H LYS 37 HN LYS 37 39.673 11.493 12.361 289 HA LYS 37 HA LYS 37 42.612 11.502 12.451 290 HB2 LYS 37 HB2 LYS 37 42.337 9.117 13.187 291 HB3 LYS 37 HB1 LYS 37 41.650 10.295 14.295 292 HG2 LYS 37 HG2 LYS 37 39.425 9.849 13.365 293 HG3 LYS 37 HG1 LYS 37 40.123 8.631 12.298 294 HD2 LYS 37 HD2 LYS 37 40.272 8.549 15.314 295 HD3 LYS 37 HD1 LYS 37 39.051 7.709 14.361 296 HE2 LYS 37 HE2 LYS 37 42.036 7.273 14.206 297 HE3 LYS 37 HE1 LYS 37 40.879 6.214 15.003 298 HZ1 LYS 37 HZ1 LYS 37 41.301 5.273 12.912 299 HZ2 LYS 37 HZ2 LYS 37 41.164 6.743 12.105 300 HZ3 LYS 37 HZ3 LYS 37 39.779 6.005 12.744 301 H LYS 38 HN LYS 38 41.101 11.978 10.060 302 HA LYS 38 HA LYS 38 41.159 9.536 8.521 303 HB2 LYS 38 HB2 LYS 38 39.411 11.261 8.140 304 HB3 LYS 38 HB1 LYS 38 40.652 12.365 7.564 305 HG2 LYS 38 HG2 LYS 38 41.141 10.876 5.722 306 HG3 LYS 38 HG1 LYS 38 39.933 9.730 6.307 307 HD2 LYS 38 HD2 LYS 38 38.181 11.378 5.968 308 HD3 LYS 38 HD1 LYS 38 39.376 12.572 5.458 309 HE2 LYS 38 HE2 LYS 38 38.788 9.962 4.067 310 HE3 LYS 38 HE1 LYS 38 38.231 11.549 3.545 311 HZ1 LYS 38 HZ1 LYS 38 40.545 12.213 3.269 312 HZ2 LYS 38 HZ2 LYS 38 40.175 10.872 2.312 313 HZ3 LYS 38 HZ3 LYS 38 41.060 10.671 3.731 314 H GLU 39 HN GLU 39 43.183 12.381 8.893 315 HA GLU 39 HA GLU 39 45.314 11.001 7.496 316 HB2 GLU 39 HB2 GLU 39 44.198 12.165 5.663 317 HB3 GLU 39 HB1 GLU 39 44.293 13.683 6.538 318 HG2 GLU 39 HG2 GLU 39 45.986 13.765 4.929 319 HG3 GLU 39 HG1 GLU 39 46.798 13.431 6.455 320 H ALA 40 HN ALA 40 44.892 14.428 8.157 321 HA ALA 40 HA ALA 40 46.241 14.757 10.554 322 HB1 ALA 40 HB1 ALA 40 48.132 14.906 8.191 323 HB2 ALA 40 HB2 ALA 40 48.183 13.697 9.473 324 HB3 ALA 40 HB3 ALA 40 48.517 15.389 9.842 325 H GLU 41 HN GLU 41 45.105 15.775 7.582 326 HA GLU 41 HA GLU 41 45.703 18.582 7.827 327 HB2 GLU 41 HB2 GLU 41 43.880 17.159 5.869 328 HB3 GLU 41 HB1 GLU 41 44.553 18.775 5.705 329 HG2 GLU 41 HG2 GLU 41 46.763 17.899 5.421 330 HG3 GLU 41 HG1 GLU 41 46.212 16.266 5.790 331 H ARG 42 HN ARG 42 44.544 18.016 10.032 332 HA ARG 42 HA ARG 42 41.784 18.742 9.821 333 HB2 ARG 42 HB2 ARG 42 42.112 16.333 10.407 334 HB3 ARG 42 HB1 ARG 42 43.016 16.845 11.824 335 HG2 ARG 42 HG2 ARG 42 40.814 16.305 12.514 336 HG3 ARG 42 HG1 ARG 42 40.993 18.056 12.593 337 HD2 ARG 42 HD2 ARG 42 39.816 18.314 10.493 338 HD3 ARG 42 HD1 ARG 42 39.713 16.562 10.307 339 HE ARG 42 HE ARG 42 38.552 17.251 12.754 340 HH11 ARG 42 HH11 ARG 42 37.911 17.627 9.311 341 HH12 ARG 42 HH12 ARG 42 36.198 17.734 9.528 342 HH21 ARG 42 HH21 ARG 42 36.302 17.380 13.014 343 HH22 ARG 42 HH22 ARG 42 35.279 17.585 11.631 344 H LYS 43 HN LYS 43 41.173 19.988 11.336 345 HA LYS 43 HA LYS 43 42.599 22.128 12.268 346 HB2 LYS 43 HB2 LYS 43 40.068 20.991 13.422 347 HB3 LYS 43 HB1 LYS 43 40.752 22.529 13.926 348 HG2 LYS 43 HG2 LYS 43 40.582 23.311 11.586 349 HG3 LYS 43 HG1 LYS 43 39.765 21.800 11.182 350 HD2 LYS 43 HD2 LYS 43 37.993 22.317 12.761 351 HD3 LYS 43 HD1 LYS 43 38.823 23.798 13.233 352 HE2 LYS 43 HE2 LYS 43 37.022 24.284 11.668 353 HE3 LYS 43 HE1 LYS 43 38.590 24.660 10.958 354 HZ1 LYS 43 HZ1 LYS 43 37.108 23.521 9.417 355 HZ2 LYS 43 HZ2 LYS 43 37.032 22.183 10.443 356 HZ3 LYS 43 HZ3 LYS 43 38.499 22.609 9.716 357 H ALA 44 HN ALA 44 42.444 19.038 13.806 358 HA ALA 44 HA ALA 44 43.127 19.845 16.449 359 HB1 ALA 44 HB1 ALA 44 43.806 17.534 16.828 360 HB2 ALA 44 HB2 ALA 44 43.771 17.209 15.099 361 HB3 ALA 44 HB3 ALA 44 42.275 17.578 15.961 362 H LEU 45 HN LEU 45 44.938 19.106 13.626 363 HA LEU 45 HA LEU 45 47.486 19.548 14.971 364 HB2 LEU 45 HB2 LEU 45 46.895 18.848 12.094 365 HB3 LEU 45 HB1 LEU 45 48.506 19.057 12.748 366 HG LEU 45 HG LEU 45 47.877 17.169 14.388 367 HD11 LEU 45 HD11 LEU 45 46.224 15.578 13.568 368 HD12 LEU 45 HD12 LEU 45 45.788 16.691 12.271 369 HD13 LEU 45 HD13 LEU 45 45.486 17.133 13.951 370 HD21 LEU 45 HD21 LEU 45 48.495 15.457 12.730 371 HD22 LEU 45 HD22 LEU 45 49.514 16.892 12.663 372 HD23 LEU 45 HD23 LEU 45 48.256 16.650 11.451 373 H GLU 46 HN GLU 46 45.600 20.972 12.343 374 HA GLU 46 HA GLU 46 47.243 23.127 11.723 375 HB2 GLU 46 HB2 GLU 46 44.227 23.062 11.673 376 HB3 GLU 46 HB1 GLU 46 45.234 24.236 10.847 377 HG2 GLU 46 HG2 GLU 46 46.230 22.359 9.547 378 HG3 GLU 46 HG1 GLU 46 45.040 21.289 10.290 379 H ASP 47 HN ASP 47 45.083 22.714 14.413 380 HA ASP 47 HA ASP 47 44.634 25.291 15.303 381 HB2 ASP 47 HB2 ASP 47 43.667 23.325 16.420 382 HB3 ASP 47 HB1 ASP 47 45.258 22.879 17.033 383 H LYS 48 HN LYS 48 47.490 23.305 15.864 384 HA LYS 48 HA LYS 48 48.809 25.608 17.086 385 HB2 LYS 48 HB2 LYS 48 50.565 23.888 17.729 386 HB3 LYS 48 HB1 LYS 48 48.993 23.711 18.490 387 HG2 LYS 48 HG2 LYS 48 48.621 22.080 16.407 388 HG3 LYS 48 HG1 LYS 48 50.376 21.955 16.547 389 HD2 LYS 48 HD2 LYS 48 50.163 21.319 18.884 390 HD3 LYS 48 HD1 LYS 48 48.412 21.504 18.793 391 HE2 LYS 48 HE2 LYS 48 48.806 19.193 18.598 392 HE3 LYS 48 HE1 LYS 48 48.469 19.748 16.960 393 HZ1 LYS 48 HZ1 LYS 48 51.094 19.065 18.142 394 HZ2 LYS 48 HZ2 LYS 48 50.961 19.892 16.688 395 HZ3 LYS 48 HZ3 LYS 48 50.346 18.327 16.819 396 H LEU 49 HN LEU 49 49.319 23.141 14.616 397 HA LEU 49 HA LEU 49 50.164 23.229 12.531 398 HB2 LEU 49 HB2 LEU 49 49.366 25.548 12.409 399 HB3 LEU 49 HB1 LEU 49 50.865 26.089 13.133 400 HG LEU 49 HG LEU 49 52.097 25.259 11.177 401 HD11 LEU 49 HD11 LEU 49 49.343 24.656 10.095 402 HD12 LEU 49 HD12 LEU 49 50.592 23.472 10.484 403 HD13 LEU 49 HD13 LEU 49 50.841 24.616 9.166 404 HD21 LEU 49 HD21 LEU 49 51.250 26.966 9.635 405 HD22 LEU 49 HD22 LEU 49 51.386 27.536 11.305 406 HD23 LEU 49 HD23 LEU 49 49.809 27.103 10.648 407 H ALA 50 HN ALA 50 52.041 24.731 15.064 408 HA ALA 50 HA ALA 50 54.562 23.851 13.987 409 HB1 ALA 50 HB1 ALA 50 54.452 25.845 15.408 410 HB2 ALA 50 HB2 ALA 50 55.487 24.615 16.135 411 HB3 ALA 50 HB3 ALA 50 53.851 24.863 16.744 412 H ASP 51 HN ASP 51 55.667 21.984 14.528 413 HA ASP 51 HA ASP 51 55.671 19.734 14.757 414 HB2 ASP 51 HB2 ASP 51 54.925 20.658 17.535 415 HB3 ASP 51 HB1 ASP 51 55.385 19.000 17.162 416 H TYR 52 HN TYR 52 54.198 18.869 13.482 417 HA TYR 52 HA TYR 52 51.401 19.056 13.830 418 HB2 TYR 52 HB2 TYR 52 53.076 17.206 12.132 419 HB3 TYR 52 HB1 TYR 52 51.321 17.254 12.064 420 HD1 TYR 52 HD1 TYR 52 54.369 19.307 11.541 421 HD2 TYR 52 HD2 TYR 52 50.211 18.879 10.750 422 HE1 TYR 52 HE1 TYR 52 54.502 21.129 9.905 423 HE2 TYR 52 HE2 TYR 52 50.334 20.708 9.105 424 HH TYR 52 HH TYR 52 53.296 21.923 7.945 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -2.593 -22.976 13.535 2 H2 GLY 1 HT2 GLY 1 -2.039 -23.696 14.964 3 H3 GLY 1 HT3 GLY 1 -0.974 -23.429 13.679 4 HA2 GLY 1 HA1 GLY 1 -2.313 -21.325 15.256 5 HA3 GLY 1 HA2 GLY 1 -0.632 -21.816 15.421 6 H SER 2 HN SER 2 -2.054 -19.290 14.561 7 HA SER 2 HA SER 2 -0.203 -18.571 12.481 8 HB2 SER 2 HB2 SER 2 -3.181 -18.534 11.937 9 HB3 SER 2 HB1 SER 2 -1.970 -17.735 10.935 10 HG SER 2 HG SER 2 -1.386 -20.360 11.423 11 H VAL 3 HN VAL 3 0.633 -16.805 13.298 12 HA VAL 3 HA VAL 3 -1.105 -15.138 14.850 13 HB VAL 3 HB VAL 3 1.049 -13.955 15.498 14 HG11 VAL 3 HG11 VAL 3 -0.052 -15.548 16.954 15 HG12 VAL 3 HG12 VAL 3 1.698 -15.736 17.062 16 HG13 VAL 3 HG13 VAL 3 0.743 -16.886 16.127 17 HG21 VAL 3 HG21 VAL 3 3.131 -15.216 15.157 18 HG22 VAL 3 HG22 VAL 3 2.440 -14.673 13.631 19 HG23 VAL 3 HG23 VAL 3 2.269 -16.354 14.126 20 H GLU 4 HN GLU 4 -1.957 -13.281 13.819 21 HA GLU 4 HA GLU 4 -2.345 -11.630 12.344 22 HB2 GLU 4 HB2 GLU 4 0.649 -11.327 12.572 23 HB3 GLU 4 HB1 GLU 4 -0.473 -10.094 12.011 24 HG2 GLU 4 HG2 GLU 4 -0.364 -11.293 14.772 25 HG3 GLU 4 HG1 GLU 4 0.163 -9.679 14.301 26 H LYS 5 HN LYS 5 -2.494 -13.878 10.778 27 HA LYS 5 HA LYS 5 -0.410 -13.893 8.764 28 HB2 LYS 5 HB2 LYS 5 -1.337 -16.025 9.592 29 HB3 LYS 5 HB1 LYS 5 -2.923 -15.572 8.991 30 HG2 LYS 5 HG2 LYS 5 -2.174 -15.699 6.718 31 HG3 LYS 5 HG1 LYS 5 -0.501 -15.914 7.230 32 HD2 LYS 5 HD2 LYS 5 -2.675 -17.845 7.991 33 HD3 LYS 5 HD1 LYS 5 -1.775 -17.997 6.482 34 HE2 LYS 5 HE2 LYS 5 0.319 -18.123 7.749 35 HE3 LYS 5 HE1 LYS 5 -0.579 -17.958 9.254 36 HZ1 LYS 5 HZ1 LYS 5 -1.610 -20.043 8.915 37 HZ2 LYS 5 HZ2 LYS 5 0.047 -20.275 8.634 38 HZ3 LYS 5 HZ3 LYS 5 -1.021 -20.167 7.333 39 H LEU 6 HN LEU 6 -2.719 -11.836 9.228 40 HA LEU 6 HA LEU 6 -3.793 -11.734 6.513 41 HB2 LEU 6 HB2 LEU 6 -5.371 -11.393 8.399 42 HB3 LEU 6 HB1 LEU 6 -4.437 -10.005 8.921 43 HG LEU 6 HG LEU 6 -5.001 -8.856 6.811 44 HD11 LEU 6 HD11 LEU 6 -6.756 -11.261 6.327 45 HD12 LEU 6 HD12 LEU 6 -5.339 -10.796 5.384 46 HD13 LEU 6 HD13 LEU 6 -6.772 -9.770 5.388 47 HD21 LEU 6 HD21 LEU 6 -7.351 -8.435 7.366 48 HD22 LEU 6 HD22 LEU 6 -6.338 -8.481 8.809 49 HD23 LEU 6 HD23 LEU 6 -7.357 -9.862 8.404 50 H THR 7 HN THR 7 -1.824 -9.939 8.827 51 HA THR 7 HA THR 7 -0.470 -8.643 6.684 52 HB THR 7 HB THR 7 -1.735 -7.039 8.925 53 HG1 THR 7 HG1 THR 7 -2.678 -7.823 6.514 54 HG21 THR 7 HG21 THR 7 -0.868 -5.105 7.679 55 HG22 THR 7 HG22 THR 7 -0.120 -6.191 6.509 56 HG23 THR 7 HG23 THR 7 0.442 -6.172 8.181 57 H ALA 8 HN ALA 8 1.387 -9.848 7.507 58 HA ALA 8 HA ALA 8 2.402 -8.835 10.075 59 HB1 ALA 8 HB1 ALA 8 2.887 -11.575 8.897 60 HB2 ALA 8 HB2 ALA 8 1.814 -11.212 10.249 61 HB3 ALA 8 HB3 ALA 8 3.553 -10.961 10.409 62 H ASP 9 HN ASP 9 3.003 -9.666 6.783 63 HA ASP 9 HA ASP 9 5.808 -9.480 6.702 64 HB2 ASP 9 HB2 ASP 9 5.574 -9.170 4.291 65 HB3 ASP 9 HB1 ASP 9 4.482 -10.428 4.854 66 H ALA 10 HN ALA 10 3.297 -7.072 6.419 67 HA ALA 10 HA ALA 10 4.832 -4.853 5.724 68 HB1 ALA 10 HB1 ALA 10 2.377 -4.858 7.494 69 HB2 ALA 10 HB2 ALA 10 2.380 -4.789 5.728 70 HB3 ALA 10 HB3 ALA 10 3.057 -3.462 6.664 71 H GLU 11 HN GLU 11 4.316 -6.307 8.882 72 HA GLU 11 HA GLU 11 5.609 -4.166 10.302 73 HB2 GLU 11 HB2 GLU 11 4.946 -6.976 11.216 74 HB3 GLU 11 HB1 GLU 11 5.517 -5.679 12.252 75 HG2 GLU 11 HG2 GLU 11 3.482 -4.384 11.639 76 HG3 GLU 11 HG1 GLU 11 2.889 -5.806 10.785 77 H LEU 12 HN LEU 12 6.587 -6.856 8.522 78 HA LEU 12 HA LEU 12 9.134 -7.226 9.853 79 HB2 LEU 12 HB2 LEU 12 8.401 -8.259 7.115 80 HB3 LEU 12 HB1 LEU 12 9.583 -8.908 8.228 81 HG LEU 12 HG LEU 12 6.581 -9.148 8.381 82 HD11 LEU 12 HD11 LEU 12 8.753 -11.198 8.213 83 HD12 LEU 12 HD12 LEU 12 7.660 -10.702 6.918 84 HD13 LEU 12 HD13 LEU 12 7.023 -11.515 8.346 85 HD21 LEU 12 HD21 LEU 12 7.354 -8.659 10.602 86 HD22 LEU 12 HD22 LEU 12 8.595 -9.916 10.482 87 HD23 LEU 12 HD23 LEU 12 6.880 -10.350 10.471 88 H GLN 13 HN GLN 13 7.765 -5.711 7.049 89 HA GLN 13 HA GLN 13 10.157 -4.812 5.822 90 HB2 GLN 13 HB2 GLN 13 7.876 -4.855 4.724 91 HB3 GLN 13 HB1 GLN 13 7.443 -3.460 5.707 92 HG2 GLN 13 HG2 GLN 13 8.036 -2.686 3.549 93 HG3 GLN 13 HG1 GLN 13 9.335 -2.235 4.652 94 HE21 GLN 13 HE21 GLN 13 8.378 -4.317 2.058 95 HE22 GLN 13 HE22 GLN 13 9.964 -4.852 1.627 96 H ARG 14 HN ARG 14 8.017 -3.462 8.263 97 HA ARG 14 HA ARG 14 9.219 -0.914 8.457 98 HB2 ARG 14 HB2 ARG 14 7.711 -2.484 10.560 99 HB3 ARG 14 HB1 ARG 14 8.108 -0.777 10.665 100 HG2 ARG 14 HG2 ARG 14 6.742 -0.338 8.685 101 HG3 ARG 14 HG1 ARG 14 6.333 -2.051 8.596 102 HD2 ARG 14 HD2 ARG 14 4.534 -0.855 9.665 103 HD3 ARG 14 HD1 ARG 14 5.329 -1.891 10.848 104 HE ARG 14 HE ARG 14 6.430 0.729 10.862 105 HH11 ARG 14 HH11 ARG 14 3.623 -1.092 11.901 106 HH12 ARG 14 HH12 ARG 14 3.284 -0.067 13.253 107 HH21 ARG 14 HH21 ARG 14 5.982 2.114 12.633 108 HH22 ARG 14 HH22 ARG 14 4.645 1.781 13.676 109 H LEU 15 HN LEU 15 9.829 -3.983 10.036 110 HA LEU 15 HA LEU 15 11.756 -3.165 11.894 111 HB2 LEU 15 HB2 LEU 15 10.759 -5.404 11.893 112 HB3 LEU 15 HB1 LEU 15 11.553 -5.773 10.377 113 HG LEU 15 HG LEU 15 13.743 -5.648 11.496 114 HD11 LEU 15 HD11 LEU 15 12.119 -5.229 13.999 115 HD12 LEU 15 HD12 LEU 15 13.203 -4.058 13.247 116 HD13 LEU 15 HD13 LEU 15 13.853 -5.545 13.938 117 HD21 LEU 15 HD21 LEU 15 12.567 -7.785 11.314 118 HD22 LEU 15 HD22 LEU 15 11.784 -7.485 12.866 119 HD23 LEU 15 HD23 LEU 15 13.533 -7.699 12.787 120 H LYS 16 HN LYS 16 12.058 -4.171 8.531 121 HA LYS 16 HA LYS 16 14.860 -3.913 8.304 122 HB2 LYS 16 HB2 LYS 16 13.481 -5.071 6.600 123 HB3 LYS 16 HB1 LYS 16 12.768 -3.530 6.137 124 HG2 LYS 16 HG2 LYS 16 15.033 -2.748 5.492 125 HG3 LYS 16 HG1 LYS 16 15.637 -4.371 5.821 126 HD2 LYS 16 HD2 LYS 16 13.512 -3.647 3.802 127 HD3 LYS 16 HD1 LYS 16 15.190 -4.049 3.437 128 HE2 LYS 16 HE2 LYS 16 14.837 -6.284 4.411 129 HE3 LYS 16 HE1 LYS 16 13.151 -5.870 4.712 130 HZ1 LYS 16 HZ1 LYS 16 13.357 -7.135 2.699 131 HZ2 LYS 16 HZ2 LYS 16 14.468 -6.035 2.064 132 HZ3 LYS 16 HZ3 LYS 16 12.865 -5.565 2.319 133 H ASN 17 HN ASN 17 12.224 -1.627 7.804 134 HA ASN 17 HA ASN 17 13.726 0.542 6.832 135 HB2 ASN 17 HB2 ASN 17 11.165 0.561 8.457 136 HB3 ASN 17 HB1 ASN 17 11.845 1.975 7.668 137 HD21 ASN 17 HD21 ASN 17 12.721 0.515 5.310 138 HD22 ASN 17 HD22 ASN 17 11.299 0.141 4.408 139 H GLU 18 HN GLU 18 12.943 -0.447 10.133 140 HA GLU 18 HA GLU 18 14.183 1.765 11.399 141 HB2 GLU 18 HB2 GLU 18 13.622 -1.008 12.455 142 HB3 GLU 18 HB1 GLU 18 14.132 0.357 13.437 143 HG2 GLU 18 HG2 GLU 18 12.082 1.555 12.768 144 HG3 GLU 18 HG1 GLU 18 11.569 0.120 11.883 145 H ARG 19 HN ARG 19 15.308 -1.514 10.652 146 HA ARG 19 HA ARG 19 17.806 -1.450 11.871 147 HB2 ARG 19 HB2 ARG 19 16.942 -2.836 9.328 148 HB3 ARG 19 HB1 ARG 19 18.503 -3.089 10.082 149 HG2 ARG 19 HG2 ARG 19 15.958 -3.531 11.599 150 HG3 ARG 19 HG1 ARG 19 16.644 -4.777 10.557 151 HD2 ARG 19 HD2 ARG 19 17.394 -5.170 12.799 152 HD3 ARG 19 HD1 ARG 19 18.764 -4.608 11.847 153 HE ARG 19 HE ARG 19 17.347 -2.572 13.354 154 HH11 ARG 19 HH11 ARG 19 20.049 -4.820 13.279 155 HH12 ARG 19 HH12 ARG 19 20.933 -3.995 14.510 156 HH21 ARG 19 HH21 ARG 19 18.501 -1.487 14.994 157 HH22 ARG 19 HH22 ARG 19 20.045 -2.099 15.503 158 H HIS 20 HN HIS 20 17.076 -0.612 8.488 159 HA HIS 20 HA HIS 20 19.711 0.243 7.900 160 HB2 HIS 20 HB2 HIS 20 17.104 0.854 6.495 161 HB3 HIS 20 HB1 HIS 20 18.674 1.371 5.898 162 HD1 HIS 20 HD1 HIS 20 19.883 -0.247 4.420 163 HD2 HIS 20 HD2 HIS 20 16.892 -2.082 6.651 164 HE1 HIS 20 HE1 HIS 20 19.744 -2.595 3.556 165 H GLU 21 HN GLU 21 16.885 1.963 9.077 166 HA GLU 21 HA GLU 21 17.931 4.575 8.866 167 HB2 GLU 21 HB2 GLU 21 15.550 4.164 9.329 168 HB3 GLU 21 HB1 GLU 21 15.965 3.499 10.905 169 HG2 GLU 21 HG2 GLU 21 16.860 5.682 11.565 170 HG3 GLU 21 HG1 GLU 21 16.375 6.335 9.999 171 H GLU 22 HN GLU 22 18.068 2.207 11.467 172 HA GLU 22 HA GLU 22 19.515 3.823 13.270 173 HB2 GLU 22 HB2 GLU 22 19.358 0.803 13.066 174 HB3 GLU 22 HB1 GLU 22 20.169 1.655 14.372 175 HG2 GLU 22 HG2 GLU 22 18.051 2.741 14.966 176 HG3 GLU 22 HG1 GLU 22 17.237 1.842 13.692 177 H ALA 23 HN ALA 23 20.646 1.310 10.987 178 HA ALA 23 HA ALA 23 23.364 1.676 11.277 179 HB1 ALA 23 HB1 ALA 23 22.412 -0.110 9.883 180 HB2 ALA 23 HB2 ALA 23 23.620 0.816 9.000 181 HB3 ALA 23 HB3 ALA 23 21.910 1.089 8.687 182 H GLU 24 HN GLU 24 21.082 3.672 9.554 183 HA GLU 24 HA GLU 24 22.938 5.306 8.158 184 HB2 GLU 24 HB2 GLU 24 20.668 5.443 7.442 185 HB3 GLU 24 HB1 GLU 24 20.076 5.809 9.050 186 HG2 GLU 24 HG2 GLU 24 19.935 7.793 7.789 187 HG3 GLU 24 HG1 GLU 24 21.287 7.997 8.895 188 H LEU 25 HN LEU 25 21.178 5.954 11.182 189 HA LEU 25 HA LEU 25 22.488 8.288 11.948 190 HB2 LEU 25 HB2 LEU 25 21.549 6.126 13.831 191 HB3 LEU 25 HB1 LEU 25 21.718 7.832 14.188 192 HG LEU 25 HG LEU 25 19.712 6.670 12.254 193 HD11 LEU 25 HD11 LEU 25 18.056 7.200 13.964 194 HD12 LEU 25 HD12 LEU 25 19.346 7.690 15.062 195 HD13 LEU 25 HD13 LEU 25 19.224 6.010 14.540 196 HD21 LEU 25 HD21 LEU 25 18.711 8.903 12.348 197 HD22 LEU 25 HD22 LEU 25 20.346 8.941 11.688 198 HD23 LEU 25 HD23 LEU 25 20.052 9.458 13.350 199 H GLU 26 HN GLU 26 23.255 5.004 12.570 200 HA GLU 26 HA GLU 26 25.511 5.413 14.274 201 HB2 GLU 26 HB2 GLU 26 24.266 3.277 14.171 202 HB3 GLU 26 HB1 GLU 26 24.929 2.989 12.570 203 HG2 GLU 26 HG2 GLU 26 27.195 2.997 13.546 204 HG3 GLU 26 HG1 GLU 26 26.473 3.182 15.144 205 H ARG 27 HN ARG 27 25.291 4.692 10.806 206 HA ARG 27 HA ARG 27 28.136 4.752 10.456 207 HB2 ARG 27 HB2 ARG 27 26.707 3.368 9.004 208 HB3 ARG 27 HB1 ARG 27 25.976 4.823 8.341 209 HG2 ARG 27 HG2 ARG 27 28.067 5.481 7.356 210 HG3 ARG 27 HG1 ARG 27 28.892 4.121 8.122 211 HD2 ARG 27 HD2 ARG 27 26.629 3.870 6.148 212 HD3 ARG 27 HD1 ARG 27 28.336 3.727 5.736 213 HE ARG 27 HE ARG 27 28.441 1.723 7.026 214 HH11 ARG 27 HH11 ARG 27 25.170 2.965 6.663 215 HH12 ARG 27 HH12 ARG 27 24.419 1.420 6.874 216 HH21 ARG 27 HH21 ARG 27 27.437 -0.315 7.356 217 HH22 ARG 27 HH22 ARG 27 25.714 -0.447 7.292 218 H LEU 28 HN LEU 28 25.559 7.095 10.039 219 HA LEU 28 HA LEU 28 27.105 8.990 8.597 220 HB2 LEU 28 HB2 LEU 28 24.638 9.161 8.770 221 HB3 LEU 28 HB1 LEU 28 24.795 9.540 10.478 222 HG LEU 28 HG LEU 28 26.077 11.585 9.836 223 HD11 LEU 28 HD11 LEU 28 26.837 10.899 7.641 224 HD12 LEU 28 HD12 LEU 28 25.891 12.383 7.528 225 HD13 LEU 28 HD13 LEU 28 25.173 10.842 7.061 226 HD21 LEU 28 HD21 LEU 28 24.100 12.843 9.122 227 HD22 LEU 28 HD22 LEU 28 23.730 11.708 10.418 228 HD23 LEU 28 HD23 LEU 28 23.281 11.327 8.756 229 H LYS 29 HN LYS 29 26.621 8.321 11.958 230 HA LYS 29 HA LYS 29 28.050 10.478 13.054 231 HB2 LYS 29 HB2 LYS 29 26.623 8.774 14.334 232 HB3 LYS 29 HB1 LYS 29 28.014 7.698 14.255 233 HG2 LYS 29 HG2 LYS 29 29.332 9.252 15.527 234 HG3 LYS 29 HG1 LYS 29 28.020 10.432 15.496 235 HD2 LYS 29 HD2 LYS 29 26.595 8.747 16.677 236 HD3 LYS 29 HD1 LYS 29 28.039 7.752 16.868 237 HE2 LYS 29 HE2 LYS 29 27.676 9.039 18.879 238 HE3 LYS 29 HE1 LYS 29 29.126 9.620 18.062 239 HZ1 LYS 29 HZ1 LYS 29 26.444 10.893 17.927 240 HZ2 LYS 29 HZ2 LYS 29 27.836 11.460 17.159 241 HZ3 LYS 29 HZ3 LYS 29 27.749 11.444 18.844 242 H SER 30 HN SER 30 29.145 7.186 12.200 243 HA SER 30 HA SER 30 31.869 7.562 12.709 244 HB2 SER 30 HB2 SER 30 30.626 5.792 10.588 245 HB3 SER 30 HB1 SER 30 32.209 5.586 11.338 246 HG SER 30 HG SER 30 30.428 5.721 13.286 247 H GLU 31 HN GLU 31 29.921 8.154 9.829 248 HA GLU 31 HA GLU 31 31.870 8.729 7.940 249 HB2 GLU 31 HB2 GLU 31 29.387 8.546 7.570 250 HB3 GLU 31 HB1 GLU 31 29.224 10.145 8.280 251 HG2 GLU 31 HG2 GLU 31 29.167 10.549 6.007 252 HG3 GLU 31 HG1 GLU 31 30.837 10.908 6.444 253 H ARG 32 HN ARG 32 30.002 11.088 9.796 254 HA ARG 32 HA ARG 32 31.421 13.356 9.205 255 HB2 ARG 32 HB2 ARG 32 29.869 12.638 11.667 256 HB3 ARG 32 HB1 ARG 32 30.607 14.222 11.472 257 HG2 ARG 32 HG2 ARG 32 28.557 12.982 9.644 258 HG3 ARG 32 HG1 ARG 32 28.274 14.276 10.813 259 HD2 ARG 32 HD2 ARG 32 29.937 15.659 9.595 260 HD3 ARG 32 HD1 ARG 32 30.059 14.389 8.383 261 HE ARG 32 HE ARG 32 27.395 14.991 8.527 262 HH11 ARG 32 HH11 ARG 32 30.337 16.757 7.863 263 HH12 ARG 32 HH12 ARG 32 29.581 17.913 6.826 264 HH21 ARG 32 HH21 ARG 32 26.372 16.499 7.137 265 HH22 ARG 32 HH22 ARG 32 27.305 17.757 6.401 266 H HIS 33 HN HIS 33 32.391 10.909 11.476 267 HA HIS 33 HA HIS 33 34.291 12.503 12.857 268 HB2 HIS 33 HB2 HIS 33 34.086 9.510 12.512 269 HB3 HIS 33 HB1 HIS 33 35.307 10.284 13.515 270 HD1 HIS 33 HD1 HIS 33 33.114 8.332 14.630 271 HD2 HIS 33 HD2 HIS 33 32.907 12.485 14.704 272 HE1 HIS 33 HE1 HIS 33 31.531 8.891 16.492 273 H ASP 34 HN ASP 34 34.587 10.304 10.090 274 HA ASP 34 HA ASP 34 37.410 11.011 9.801 275 HB2 ASP 34 HB2 ASP 34 36.688 8.647 9.482 276 HB3 ASP 34 HB1 ASP 34 35.750 9.149 8.077 277 H HIS 35 HN HIS 35 34.355 11.585 8.239 278 HA HIS 35 HA HIS 35 35.126 12.628 5.770 279 HB2 HIS 35 HB2 HIS 35 32.786 12.156 6.244 280 HB3 HIS 35 HB1 HIS 35 32.750 13.386 7.501 281 HD2 HIS 35 HD2 HIS 35 33.074 13.285 3.566 282 HE1 HIS 35 HE1 HIS 35 31.358 16.971 4.767 283 HE2 HIS 35 HE2 HIS 35 32.202 15.612 2.837 284 H ASP 36 HN ASP 36 35.357 14.073 8.893 285 HA ASP 36 HA ASP 36 35.485 16.797 8.161 286 HB2 ASP 36 HB2 ASP 36 35.253 16.037 10.521 287 HB3 ASP 36 HB1 ASP 36 36.919 15.462 10.479 288 H LYS 37 HN LYS 37 37.771 14.231 7.879 289 HA LYS 37 HA LYS 37 39.878 16.119 7.080 290 HB2 LYS 37 HB2 LYS 37 40.137 13.221 7.913 291 HB3 LYS 37 HB1 LYS 37 41.464 14.289 7.486 292 HG2 LYS 37 HG2 LYS 37 39.625 14.640 9.849 293 HG3 LYS 37 HG1 LYS 37 41.262 13.986 9.902 294 HD2 LYS 37 HD2 LYS 37 42.108 16.133 9.010 295 HD3 LYS 37 HD1 LYS 37 40.464 16.773 9.063 296 HE2 LYS 37 HE2 LYS 37 42.053 15.784 11.431 297 HE3 LYS 37 HE1 LYS 37 41.772 17.472 11.016 298 HZ1 LYS 37 HZ1 LYS 37 39.374 17.073 11.302 299 HZ2 LYS 37 HZ2 LYS 37 40.250 16.774 12.721 300 HZ3 LYS 37 HZ3 LYS 37 39.705 15.484 11.785 301 H LYS 38 HN LYS 38 38.114 13.205 6.242 302 HA LYS 38 HA LYS 38 39.282 13.277 3.573 303 HB2 LYS 38 HB2 LYS 38 39.307 11.087 4.660 304 HB3 LYS 38 HB1 LYS 38 37.565 11.152 4.886 305 HG2 LYS 38 HG2 LYS 38 38.225 9.705 3.021 306 HG3 LYS 38 HG1 LYS 38 37.216 11.055 2.498 307 HD2 LYS 38 HD2 LYS 38 39.235 12.265 1.790 308 HD3 LYS 38 HD1 LYS 38 40.222 10.887 2.280 309 HE2 LYS 38 HE2 LYS 38 39.120 9.485 0.642 310 HE3 LYS 38 HE1 LYS 38 38.043 10.810 0.199 311 HZ1 LYS 38 HZ1 LYS 38 40.988 10.795 -0.136 312 HZ2 LYS 38 HZ2 LYS 38 39.954 12.061 -0.562 313 HZ3 LYS 38 HZ3 LYS 38 39.852 10.582 -1.369 314 H GLU 39 HN GLU 39 38.241 14.996 2.730 315 HA GLU 39 HA GLU 39 35.528 15.544 2.732 316 HB2 GLU 39 HB2 GLU 39 35.851 16.841 0.710 317 HB3 GLU 39 HB1 GLU 39 37.227 17.080 1.772 318 HG2 GLU 39 HG2 GLU 39 38.600 15.665 0.417 319 HG3 GLU 39 HG1 GLU 39 37.214 15.165 -0.548 320 H ALA 40 HN ALA 40 33.800 14.761 1.759 321 HA ALA 40 HA ALA 40 33.782 13.154 -0.557 322 HB1 ALA 40 HB1 ALA 40 33.112 11.017 0.453 323 HB2 ALA 40 HB2 ALA 40 33.353 11.692 2.063 324 HB3 ALA 40 HB3 ALA 40 34.730 11.477 0.982 325 H GLU 41 HN GLU 41 31.406 11.677 0.079 326 HA GLU 41 HA GLU 41 29.600 13.928 0.515 327 HB2 GLU 41 HB2 GLU 41 27.955 12.423 -0.813 328 HB3 GLU 41 HB1 GLU 41 29.192 13.321 -1.672 329 HG2 GLU 41 HG2 GLU 41 30.568 11.303 -1.802 330 HG3 GLU 41 HG1 GLU 41 29.325 10.392 -0.956 331 H ARG 42 HN ARG 42 28.810 10.453 0.525 332 HA ARG 42 HA ARG 42 28.591 10.153 3.248 333 HB2 ARG 42 HB2 ARG 42 26.741 11.701 3.150 334 HB3 ARG 42 HB1 ARG 42 26.077 10.904 1.739 335 HG2 ARG 42 HG2 ARG 42 25.465 8.980 3.066 336 HG3 ARG 42 HG1 ARG 42 26.235 9.688 4.491 337 HD2 ARG 42 HD2 ARG 42 24.605 11.299 4.739 338 HD3 ARG 42 HD1 ARG 42 24.143 11.245 3.043 339 HE ARG 42 HE ARG 42 23.427 9.157 5.020 340 HH11 ARG 42 HH11 ARG 42 22.669 11.138 2.212 341 HH12 ARG 42 HH12 ARG 42 21.097 10.461 1.999 342 HH21 ARG 42 HH21 ARG 42 21.358 8.224 4.706 343 HH22 ARG 42 HH22 ARG 42 20.343 8.809 3.421 344 H LYS 43 HN LYS 43 28.906 8.152 3.359 345 HA LYS 43 HA LYS 43 28.402 6.308 1.183 346 HB2 LYS 43 HB2 LYS 43 29.505 5.735 3.934 347 HB3 LYS 43 HB1 LYS 43 29.611 4.694 2.521 348 HG2 LYS 43 HG2 LYS 43 31.054 6.264 1.410 349 HG3 LYS 43 HG1 LYS 43 30.859 7.424 2.725 350 HD2 LYS 43 HD2 LYS 43 31.900 5.794 4.265 351 HD3 LYS 43 HD1 LYS 43 32.167 4.711 2.898 352 HE2 LYS 43 HE2 LYS 43 33.310 7.477 3.262 353 HE3 LYS 43 HE1 LYS 43 34.190 5.952 3.368 354 HZ1 LYS 43 HZ1 LYS 43 34.564 6.953 1.239 355 HZ2 LYS 43 HZ2 LYS 43 32.906 7.097 0.956 356 HZ3 LYS 43 HZ3 LYS 43 33.619 5.563 1.019 357 H ALA 44 HN ALA 44 26.917 7.242 4.102 358 HA ALA 44 HA ALA 44 25.515 4.919 4.796 359 HB1 ALA 44 HB1 ALA 44 23.983 6.358 6.034 360 HB2 ALA 44 HB2 ALA 44 24.621 7.776 5.209 361 HB3 ALA 44 HB3 ALA 44 25.653 6.843 6.299 362 H LEU 45 HN LEU 45 24.645 7.496 2.490 363 HA LEU 45 HA LEU 45 22.093 6.759 1.822 364 HB2 LEU 45 HB2 LEU 45 23.142 8.800 1.042 365 HB3 LEU 45 HB1 LEU 45 24.280 7.885 0.074 366 HG LEU 45 HG LEU 45 22.414 7.114 -1.354 367 HD11 LEU 45 HD11 LEU 45 20.234 8.207 -1.170 368 HD12 LEU 45 HD12 LEU 45 20.766 9.006 0.308 369 HD13 LEU 45 HD13 LEU 45 20.606 7.250 0.264 370 HD21 LEU 45 HD21 LEU 45 22.621 10.106 -1.054 371 HD22 LEU 45 HD22 LEU 45 22.042 9.247 -2.480 372 HD23 LEU 45 HD23 LEU 45 23.722 9.080 -1.970 373 H GLU 46 HN GLU 46 24.844 4.843 1.366 374 HA GLU 46 HA GLU 46 23.819 3.571 -1.061 375 HB2 GLU 46 HB2 GLU 46 26.268 3.990 -0.923 376 HB3 GLU 46 HB1 GLU 46 26.347 2.945 0.490 377 HG2 GLU 46 HG2 GLU 46 25.449 1.100 -0.936 378 HG3 GLU 46 HG1 GLU 46 25.645 2.168 -2.323 379 H ASP 47 HN ASP 47 24.105 3.187 2.339 380 HA ASP 47 HA ASP 47 23.316 0.368 2.235 381 HB2 ASP 47 HB2 ASP 47 25.191 0.956 3.716 382 HB3 ASP 47 HB1 ASP 47 24.135 2.037 4.620 383 H LYS 48 HN LYS 48 21.996 3.482 2.797 384 HA LYS 48 HA LYS 48 19.705 2.439 4.284 385 HB2 LYS 48 HB2 LYS 48 20.754 4.605 4.984 386 HB3 LYS 48 HB1 LYS 48 20.309 5.296 3.430 387 HG2 LYS 48 HG2 LYS 48 17.933 4.930 3.982 388 HG3 LYS 48 HG1 LYS 48 18.418 4.318 5.564 389 HD2 LYS 48 HD2 LYS 48 19.390 6.456 6.135 390 HD3 LYS 48 HD1 LYS 48 19.068 7.070 4.514 391 HE2 LYS 48 HE2 LYS 48 16.925 6.133 6.411 392 HE3 LYS 48 HE1 LYS 48 17.441 7.813 6.267 393 HZ1 LYS 48 HZ1 LYS 48 16.757 7.822 3.976 394 HZ2 LYS 48 HZ2 LYS 48 15.462 7.305 4.932 395 HZ3 LYS 48 HZ3 LYS 48 16.348 6.184 4.038 396 H LEU 49 HN LEU 49 20.474 2.106 1.294 397 HA LEU 49 HA LEU 49 17.792 2.256 0.311 398 HB2 LEU 49 HB2 LEU 49 18.695 4.527 -0.114 399 HB3 LEU 49 HB1 LEU 49 19.995 3.815 -1.042 400 HG LEU 49 HG LEU 49 18.264 2.910 -2.612 401 HD11 LEU 49 HD11 LEU 49 16.048 3.952 -2.568 402 HD12 LEU 49 HD12 LEU 49 16.452 4.735 -1.041 403 HD13 LEU 49 HD13 LEU 49 16.343 2.977 -1.129 404 HD21 LEU 49 HD21 LEU 49 18.395 5.895 -2.249 405 HD22 LEU 49 HD22 LEU 49 17.923 5.057 -3.731 406 HD23 LEU 49 HD23 LEU 49 19.567 4.897 -3.107 407 H ALA 50 HN ALA 50 20.945 2.261 -1.265 408 HA ALA 50 HA ALA 50 22.256 0.614 -2.177 409 HB1 ALA 50 HB1 ALA 50 20.190 -1.358 -1.181 410 HB2 ALA 50 HB2 ALA 50 21.653 -0.882 -0.320 411 HB3 ALA 50 HB3 ALA 50 21.775 -1.759 -1.844 412 H ASP 51 HN ASP 51 20.373 2.110 -3.495 413 HA ASP 51 HA ASP 51 19.550 0.287 -5.657 414 HB2 ASP 51 HB2 ASP 51 18.174 2.744 -4.609 415 HB3 ASP 51 HB1 ASP 51 17.902 2.199 -6.259 416 H TYR 52 HN TYR 52 21.562 2.837 -4.768 417 HA TYR 52 HA TYR 52 23.036 4.114 -5.825 418 HB2 TYR 52 HB2 TYR 52 22.697 1.953 -7.885 419 HB3 TYR 52 HB1 TYR 52 23.819 3.290 -8.123 420 HD1 TYR 52 HD1 TYR 52 23.052 0.366 -6.002 421 HD2 TYR 52 HD2 TYR 52 25.887 3.391 -6.944 422 HE1 TYR 52 HE1 TYR 52 24.739 -0.803 -4.654 423 HE2 TYR 52 HE2 TYR 52 27.582 2.227 -5.601 424 HH TYR 52 HH TYR 52 27.642 0.647 -3.704 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 7.961 -19.444 -3.417 2 H2 GLY 1 HT2 GLY 1 6.465 -18.837 -2.922 3 H3 GLY 1 HT3 GLY 1 7.401 -19.758 -1.856 4 HA2 GLY 1 HA1 GLY 1 9.102 -18.054 -1.824 5 HA3 GLY 1 HA2 GLY 1 8.130 -17.098 -2.934 6 H SER 2 HN SER 2 5.977 -16.445 -2.174 7 HA SER 2 HA SER 2 6.141 -15.515 0.542 8 HB2 SER 2 HB2 SER 2 3.946 -15.148 -1.508 9 HB3 SER 2 HB1 SER 2 4.140 -14.236 -0.010 10 HG SER 2 HG SER 2 6.428 -14.047 -1.248 11 H VAL 3 HN VAL 3 4.824 -16.108 2.241 12 HA VAL 3 HA VAL 3 2.832 -18.197 1.811 13 HB VAL 3 HB VAL 3 5.004 -19.332 2.368 14 HG11 VAL 3 HG11 VAL 3 5.973 -17.642 3.811 15 HG12 VAL 3 HG12 VAL 3 5.878 -19.192 4.648 16 HG13 VAL 3 HG13 VAL 3 4.712 -17.921 5.013 17 HG21 VAL 3 HG21 VAL 3 4.088 -20.793 4.117 18 HG22 VAL 3 HG22 VAL 3 2.894 -20.426 2.872 19 HG23 VAL 3 HG23 VAL 3 2.821 -19.608 4.432 20 H GLU 4 HN GLU 4 3.984 -15.474 3.306 21 HA GLU 4 HA GLU 4 2.010 -15.536 5.479 22 HB2 GLU 4 HB2 GLU 4 4.261 -13.570 4.989 23 HB3 GLU 4 HB1 GLU 4 3.160 -13.558 6.363 24 HG2 GLU 4 HG2 GLU 4 3.979 -15.749 7.044 25 HG3 GLU 4 HG1 GLU 4 5.079 -15.766 5.668 26 H LYS 5 HN LYS 5 3.075 -13.317 2.917 27 HA LYS 5 HA LYS 5 1.852 -12.098 1.455 28 HB2 LYS 5 HB2 LYS 5 0.486 -14.142 1.206 29 HB3 LYS 5 HB1 LYS 5 -0.536 -13.606 2.529 30 HG2 LYS 5 HG2 LYS 5 -1.210 -11.662 1.234 31 HG3 LYS 5 HG1 LYS 5 -0.159 -12.175 -0.088 32 HD2 LYS 5 HD2 LYS 5 -1.456 -14.271 -0.252 33 HD3 LYS 5 HD1 LYS 5 -2.540 -13.666 1.001 34 HE2 LYS 5 HE2 LYS 5 -3.405 -13.336 -1.294 35 HE3 LYS 5 HE1 LYS 5 -3.218 -11.835 -0.391 36 HZ1 LYS 5 HZ1 LYS 5 -1.232 -12.872 -2.341 37 HZ2 LYS 5 HZ2 LYS 5 -1.195 -11.374 -1.561 38 HZ3 LYS 5 HZ3 LYS 5 -2.399 -11.703 -2.696 39 H LEU 6 HN LEU 6 2.618 -10.580 3.399 40 HA LEU 6 HA LEU 6 2.187 -8.504 4.162 41 HB2 LEU 6 HB2 LEU 6 -0.736 -9.040 3.657 42 HB3 LEU 6 HB1 LEU 6 -0.056 -7.503 4.148 43 HG LEU 6 HG LEU 6 0.416 -8.920 1.523 44 HD11 LEU 6 HD11 LEU 6 -1.013 -6.351 2.179 45 HD12 LEU 6 HD12 LEU 6 -1.767 -7.869 1.694 46 HD13 LEU 6 HD13 LEU 6 -0.735 -6.998 0.562 47 HD21 LEU 6 HD21 LEU 6 1.542 -6.315 2.543 48 HD22 LEU 6 HD22 LEU 6 1.683 -6.909 0.890 49 HD23 LEU 6 HD23 LEU 6 2.450 -7.791 2.212 50 H THR 7 HN THR 7 0.952 -11.358 5.590 51 HA THR 7 HA THR 7 0.263 -9.914 7.922 52 HB THR 7 HB THR 7 -1.270 -11.751 7.269 53 HG1 THR 7 HG1 THR 7 -0.006 -12.533 9.680 54 HG21 THR 7 HG21 THR 7 1.051 -13.582 7.886 55 HG22 THR 7 HG22 THR 7 0.296 -13.347 6.309 56 HG23 THR 7 HG23 THR 7 -0.613 -14.101 7.619 57 H ALA 8 HN ALA 8 2.067 -9.386 8.982 58 HA ALA 8 HA ALA 8 3.872 -9.580 10.371 59 HB1 ALA 8 HB1 ALA 8 3.586 -12.011 10.672 60 HB2 ALA 8 HB2 ALA 8 5.285 -11.571 10.495 61 HB3 ALA 8 HB3 ALA 8 4.415 -12.292 9.141 62 H ASP 9 HN ASP 9 3.830 -10.220 7.017 63 HA ASP 9 HA ASP 9 6.492 -9.540 6.300 64 HB2 ASP 9 HB2 ASP 9 3.879 -9.262 4.806 65 HB3 ASP 9 HB1 ASP 9 5.372 -8.628 4.144 66 H ALA 10 HN ALA 10 3.614 -7.702 6.877 67 HA ALA 10 HA ALA 10 4.549 -5.141 6.210 68 HB1 ALA 10 HB1 ALA 10 2.449 -5.826 8.279 69 HB2 ALA 10 HB2 ALA 10 2.161 -5.607 6.550 70 HB3 ALA 10 HB3 ALA 10 2.704 -4.252 7.533 71 H GLU 11 HN GLU 11 4.946 -7.029 9.108 72 HA GLU 11 HA GLU 11 5.992 -4.804 10.622 73 HB2 GLU 11 HB2 GLU 11 6.017 -7.767 11.241 74 HB3 GLU 11 HB1 GLU 11 6.517 -6.493 12.340 75 HG2 GLU 11 HG2 GLU 11 4.204 -5.565 12.196 76 HG3 GLU 11 HG1 GLU 11 3.748 -7.006 11.289 77 H LEU 12 HN LEU 12 7.111 -7.246 8.525 78 HA LEU 12 HA LEU 12 9.882 -7.150 9.227 79 HB2 LEU 12 HB2 LEU 12 8.790 -7.851 6.496 80 HB3 LEU 12 HB1 LEU 12 10.309 -8.359 7.198 81 HG LEU 12 HG LEU 12 7.545 -9.369 7.838 82 HD11 LEU 12 HD11 LEU 12 8.492 -11.512 7.262 83 HD12 LEU 12 HD12 LEU 12 10.025 -10.730 6.866 84 HD13 LEU 12 HD13 LEU 12 8.572 -10.359 5.933 85 HD21 LEU 12 HD21 LEU 12 10.083 -9.909 9.364 86 HD22 LEU 12 HD22 LEU 12 8.546 -10.764 9.556 87 HD23 LEU 12 HD23 LEU 12 8.651 -9.049 9.945 88 H GLN 13 HN GLN 13 7.825 -5.639 6.818 89 HA GLN 13 HA GLN 13 9.750 -3.990 5.578 90 HB2 GLN 13 HB2 GLN 13 6.765 -3.582 5.917 91 HB3 GLN 13 HB1 GLN 13 7.787 -2.666 4.823 92 HG2 GLN 13 HG2 GLN 13 8.188 -4.544 3.458 93 HG3 GLN 13 HG1 GLN 13 7.527 -5.650 4.660 94 HE21 GLN 13 HE21 GLN 13 6.761 -3.228 2.279 95 HE22 GLN 13 HE22 GLN 13 5.092 -3.645 2.108 96 H ARG 14 HN ARG 14 8.039 -3.777 8.533 97 HA ARG 14 HA ARG 14 8.471 -0.948 8.952 98 HB2 ARG 14 HB2 ARG 14 6.505 -2.082 9.947 99 HB3 ARG 14 HB1 ARG 14 7.559 -3.075 10.931 100 HG2 ARG 14 HG2 ARG 14 6.693 -1.366 12.310 101 HG3 ARG 14 HG1 ARG 14 8.384 -0.972 12.009 102 HD2 ARG 14 HD2 ARG 14 6.257 0.169 10.246 103 HD3 ARG 14 HD1 ARG 14 6.533 0.871 11.837 104 HE ARG 14 HE ARG 14 8.994 0.922 10.903 105 HH11 ARG 14 HH11 ARG 14 6.042 1.654 9.157 106 HH12 ARG 14 HH12 ARG 14 6.762 2.896 8.200 107 HH21 ARG 14 HH21 ARG 14 9.950 2.592 9.661 108 HH22 ARG 14 HH22 ARG 14 8.993 3.428 8.475 109 H LEU 15 HN LEU 15 9.723 -3.956 10.397 110 HA LEU 15 HA LEU 15 11.673 -2.732 12.009 111 HB2 LEU 15 HB2 LEU 15 10.892 -5.019 12.369 112 HB3 LEU 15 HB1 LEU 15 11.595 -5.517 10.845 113 HG LEU 15 HG LEU 15 13.846 -5.007 11.745 114 HD11 LEU 15 HD11 LEU 15 14.110 -4.665 14.154 115 HD12 LEU 15 HD12 LEU 15 12.359 -4.536 14.323 116 HD13 LEU 15 HD13 LEU 15 13.248 -3.332 13.389 117 HD21 LEU 15 HD21 LEU 15 12.979 -7.276 11.830 118 HD22 LEU 15 HD22 LEU 15 12.198 -6.936 13.375 119 HD23 LEU 15 HD23 LEU 15 13.958 -6.934 13.258 120 H LYS 16 HN LYS 16 11.805 -4.068 8.747 121 HA LYS 16 HA LYS 16 14.532 -3.881 8.257 122 HB2 LYS 16 HB2 LYS 16 13.032 -4.992 6.685 123 HB3 LYS 16 HB1 LYS 16 12.244 -3.465 6.312 124 HG2 LYS 16 HG2 LYS 16 14.271 -2.644 5.282 125 HG3 LYS 16 HG1 LYS 16 15.118 -4.130 5.719 126 HD2 LYS 16 HD2 LYS 16 13.597 -5.426 4.327 127 HD3 LYS 16 HD1 LYS 16 12.694 -3.965 3.928 128 HE2 LYS 16 HE2 LYS 16 15.590 -4.483 3.260 129 HE3 LYS 16 HE1 LYS 16 14.237 -4.611 2.137 130 HZ1 LYS 16 HZ1 LYS 16 13.795 -2.246 2.492 131 HZ2 LYS 16 HZ2 LYS 16 15.351 -2.498 1.890 132 HZ3 LYS 16 HZ3 LYS 16 15.128 -2.143 3.521 133 H ASN 17 HN ASN 17 12.044 -1.405 7.883 134 HA ASN 17 HA ASN 17 13.774 0.561 6.796 135 HB2 ASN 17 HB2 ASN 17 11.324 0.783 6.603 136 HB3 ASN 17 HB1 ASN 17 11.201 0.991 8.351 137 HD21 ASN 17 HD21 ASN 17 11.893 2.922 9.293 138 HD22 ASN 17 HD22 ASN 17 12.229 4.334 8.342 139 H GLU 18 HN GLU 18 12.614 -0.002 10.097 140 HA GLU 18 HA GLU 18 13.909 2.169 11.304 141 HB2 GLU 18 HB2 GLU 18 13.321 -0.485 12.617 142 HB3 GLU 18 HB1 GLU 18 13.496 1.073 13.404 143 HG2 GLU 18 HG2 GLU 18 11.259 0.139 11.640 144 HG3 GLU 18 HG1 GLU 18 11.192 0.568 13.347 145 H ARG 19 HN ARG 19 14.930 -1.156 10.817 146 HA ARG 19 HA ARG 19 17.404 -0.918 12.202 147 HB2 ARG 19 HB2 ARG 19 16.300 -3.100 11.730 148 HB3 ARG 19 HB1 ARG 19 16.664 -2.888 10.022 149 HG2 ARG 19 HG2 ARG 19 19.045 -2.929 10.528 150 HG3 ARG 19 HG1 ARG 19 18.675 -3.140 12.241 151 HD2 ARG 19 HD2 ARG 19 17.419 -5.205 11.636 152 HD3 ARG 19 HD1 ARG 19 18.016 -5.019 9.987 153 HE ARG 19 HE ARG 19 20.271 -4.977 11.473 154 HH11 ARG 19 HH11 ARG 19 17.557 -7.186 11.233 155 HH12 ARG 19 HH12 ARG 19 18.469 -8.574 11.710 156 HH21 ARG 19 HH21 ARG 19 21.497 -6.825 12.104 157 HH22 ARG 19 HH22 ARG 19 20.720 -8.367 12.214 158 H HIS 20 HN HIS 20 16.457 -0.562 8.839 159 HA HIS 20 HA HIS 20 19.069 -0.284 7.798 160 HB2 HIS 20 HB2 HIS 20 17.129 -0.751 6.330 161 HB3 HIS 20 HB1 HIS 20 16.506 0.867 6.650 162 HD1 HIS 20 HD1 HIS 20 17.269 2.668 5.105 163 HD2 HIS 20 HD2 HIS 20 19.672 -0.717 4.884 164 HE1 HIS 20 HE1 HIS 20 18.889 3.121 3.250 165 H GLU 21 HN GLU 21 16.694 2.184 8.886 166 HA GLU 21 HA GLU 21 18.418 4.350 8.208 167 HB2 GLU 21 HB2 GLU 21 16.014 4.255 10.052 168 HB3 GLU 21 HB1 GLU 21 16.870 5.721 9.615 169 HG2 GLU 21 HG2 GLU 21 16.335 5.119 7.196 170 HG3 GLU 21 HG1 GLU 21 15.202 3.947 7.868 171 H GLU 22 HN GLU 22 18.201 2.203 10.859 172 HA GLU 22 HA GLU 22 19.413 3.917 12.801 173 HB2 GLU 22 HB2 GLU 22 18.034 1.967 13.468 174 HB3 GLU 22 HB1 GLU 22 19.258 0.891 12.804 175 HG2 GLU 22 HG2 GLU 22 20.846 1.578 14.446 176 HG3 GLU 22 HG1 GLU 22 19.766 2.845 15.027 177 H ALA 23 HN ALA 23 20.647 1.376 10.591 178 HA ALA 23 HA ALA 23 23.317 1.621 11.528 179 HB1 ALA 23 HB1 ALA 23 22.495 -0.432 10.422 180 HB2 ALA 23 HB2 ALA 23 23.913 0.235 9.622 181 HB3 ALA 23 HB3 ALA 23 22.320 0.467 8.910 182 H GLU 24 HN GLU 24 21.368 3.255 9.158 183 HA GLU 24 HA GLU 24 23.495 4.460 7.693 184 HB2 GLU 24 HB2 GLU 24 20.641 5.413 8.070 185 HB3 GLU 24 HB1 GLU 24 21.777 6.057 6.898 186 HG2 GLU 24 HG2 GLU 24 20.656 3.266 6.952 187 HG3 GLU 24 HG1 GLU 24 20.218 4.555 5.834 188 H LEU 25 HN LEU 25 21.740 5.220 10.620 189 HA LEU 25 HA LEU 25 22.735 7.867 10.908 190 HB2 LEU 25 HB2 LEU 25 20.674 7.030 12.002 191 HB3 LEU 25 HB1 LEU 25 21.654 5.976 12.998 192 HG LEU 25 HG LEU 25 22.740 7.975 13.987 193 HD11 LEU 25 HD11 LEU 25 21.696 10.166 13.649 194 HD12 LEU 25 HD12 LEU 25 20.670 9.475 12.392 195 HD13 LEU 25 HD13 LEU 25 22.419 9.541 12.168 196 HD21 LEU 25 HD21 LEU 25 20.869 6.898 15.109 197 HD22 LEU 25 HD22 LEU 25 19.734 7.890 14.193 198 HD23 LEU 25 HD23 LEU 25 20.826 8.644 15.355 199 H GLU 26 HN GLU 26 23.553 4.736 12.328 200 HA GLU 26 HA GLU 26 25.689 5.429 13.932 201 HB2 GLU 26 HB2 GLU 26 24.806 3.137 13.789 202 HB3 GLU 26 HB1 GLU 26 25.517 2.966 12.188 203 HG2 GLU 26 HG2 GLU 26 27.747 3.476 13.311 204 HG3 GLU 26 HG1 GLU 26 26.908 3.188 14.832 205 H ARG 27 HN ARG 27 25.733 4.782 10.463 206 HA ARG 27 HA ARG 27 28.518 5.084 10.084 207 HB2 ARG 27 HB2 ARG 27 26.964 4.092 8.387 208 HB3 ARG 27 HB1 ARG 27 26.356 5.711 8.058 209 HG2 ARG 27 HG2 ARG 27 28.695 6.357 7.435 210 HG3 ARG 27 HG1 ARG 27 29.125 4.650 7.560 211 HD2 ARG 27 HD2 ARG 27 27.135 5.912 5.687 212 HD3 ARG 27 HD1 ARG 27 28.655 5.129 5.266 213 HE ARG 27 HE ARG 27 27.656 3.021 6.004 214 HH11 ARG 27 HH11 ARG 27 25.491 5.694 5.274 215 HH12 ARG 27 HH12 ARG 27 24.124 4.669 4.976 216 HH21 ARG 27 HH21 ARG 27 25.826 1.676 5.630 217 HH22 ARG 27 HH22 ARG 27 24.306 2.404 5.215 218 H LEU 28 HN LEU 28 25.912 7.414 10.329 219 HA LEU 28 HA LEU 28 27.483 9.590 9.252 220 HB2 LEU 28 HB2 LEU 28 25.014 9.523 8.960 221 HB3 LEU 28 HB1 LEU 28 24.815 9.640 10.699 222 HG LEU 28 HG LEU 28 25.860 11.879 10.642 223 HD11 LEU 28 HD11 LEU 28 25.796 11.488 7.657 224 HD12 LEU 28 HD12 LEU 28 27.236 11.635 8.664 225 HD13 LEU 28 HD13 LEU 28 26.141 13.006 8.484 226 HD21 LEU 28 HD21 LEU 28 23.434 11.639 10.565 227 HD22 LEU 28 HD22 LEU 28 23.492 11.531 8.806 228 HD23 LEU 28 HD23 LEU 28 23.962 13.026 9.613 229 H LYS 29 HN LYS 29 26.854 8.102 12.270 230 HA LYS 29 HA LYS 29 27.773 10.296 13.912 231 HB2 LYS 29 HB2 LYS 29 27.371 7.359 14.582 232 HB3 LYS 29 HB1 LYS 29 27.759 8.616 15.743 233 HG2 LYS 29 HG2 LYS 29 25.650 9.648 15.495 234 HG3 LYS 29 HG1 LYS 29 25.283 8.714 14.043 235 HD2 LYS 29 HD2 LYS 29 24.043 7.824 15.937 236 HD3 LYS 29 HD1 LYS 29 25.245 6.653 15.403 237 HE2 LYS 29 HE2 LYS 29 25.398 6.630 17.738 238 HE3 LYS 29 HE1 LYS 29 26.751 7.632 17.223 239 HZ1 LYS 29 HZ1 LYS 29 25.710 8.726 19.023 240 HZ2 LYS 29 HZ2 LYS 29 24.171 8.516 18.368 241 HZ3 LYS 29 HZ3 LYS 29 25.242 9.597 17.642 242 H SER 30 HN SER 30 29.088 7.549 12.270 243 HA SER 30 HA SER 30 31.620 7.575 13.626 244 HB2 SER 30 HB2 SER 30 30.744 5.468 12.692 245 HB3 SER 30 HB1 SER 30 30.763 6.165 11.070 246 HG SER 30 HG SER 30 32.659 5.252 11.055 247 H GLU 31 HN GLU 31 30.521 8.402 10.324 248 HA GLU 31 HA GLU 31 32.973 9.450 9.442 249 HB2 GLU 31 HB2 GLU 31 30.172 10.131 8.528 250 HB3 GLU 31 HB1 GLU 31 31.648 10.526 7.656 251 HG2 GLU 31 HG2 GLU 31 32.142 8.148 7.408 252 HG3 GLU 31 HG1 GLU 31 30.669 7.750 8.289 253 H ARG 32 HN ARG 32 30.533 10.766 11.475 254 HA ARG 32 HA ARG 32 31.121 13.516 11.142 255 HB2 ARG 32 HB2 ARG 32 29.040 12.658 12.176 256 HB3 ARG 32 HB1 ARG 32 29.978 12.083 13.544 257 HG2 ARG 32 HG2 ARG 32 30.662 14.430 13.989 258 HG3 ARG 32 HG1 ARG 32 29.564 14.942 12.704 259 HD2 ARG 32 HD2 ARG 32 28.452 15.169 14.824 260 HD3 ARG 32 HD1 ARG 32 27.707 13.851 13.920 261 HE ARG 32 HE ARG 32 29.770 13.241 15.917 262 HH11 ARG 32 HH11 ARG 32 26.438 13.017 14.862 263 HH12 ARG 32 HH12 ARG 32 25.979 11.900 16.109 264 HH21 ARG 32 HH21 ARG 32 29.190 11.778 17.542 265 HH22 ARG 32 HH22 ARG 32 27.563 11.188 17.649 266 H HIS 33 HN HIS 33 32.527 10.915 12.998 267 HA HIS 33 HA HIS 33 34.061 12.679 14.695 268 HB2 HIS 33 HB2 HIS 33 33.236 10.436 15.469 269 HB3 HIS 33 HB1 HIS 33 34.367 9.688 14.349 270 HD1 HIS 33 HD1 HIS 33 36.613 9.167 15.295 271 HD2 HIS 33 HD2 HIS 33 34.657 12.131 17.457 272 HE1 HIS 33 HE1 HIS 33 38.104 9.671 17.249 273 H ASP 34 HN ASP 34 34.408 11.188 11.633 274 HA ASP 34 HA ASP 34 37.241 11.127 11.570 275 HB2 ASP 34 HB2 ASP 34 35.190 10.971 9.368 276 HB3 ASP 34 HB1 ASP 34 36.905 11.108 9.005 277 H HIS 35 HN HIS 35 35.137 13.697 11.582 278 HA HIS 35 HA HIS 35 36.481 15.572 9.971 279 HB2 HIS 35 HB2 HIS 35 35.317 17.299 11.153 280 HB3 HIS 35 HB1 HIS 35 34.215 15.936 11.112 281 HD2 HIS 35 HD2 HIS 35 34.483 18.457 13.491 282 HE1 HIS 35 HE1 HIS 35 35.051 15.096 16.007 283 HE2 HIS 35 HE2 HIS 35 34.563 17.557 15.910 284 H ASP 36 HN ASP 36 37.145 14.271 13.097 285 HA ASP 36 HA ASP 36 39.106 16.111 13.999 286 HB2 ASP 36 HB2 ASP 36 38.004 14.493 15.513 287 HB3 ASP 36 HB1 ASP 36 38.804 13.166 14.676 288 H LYS 37 HN LYS 37 39.209 13.328 11.915 289 HA LYS 37 HA LYS 37 42.043 12.995 11.806 290 HB2 LYS 37 HB2 LYS 37 40.118 12.284 9.604 291 HB3 LYS 37 HB1 LYS 37 41.630 11.497 10.020 292 HG2 LYS 37 HG2 LYS 37 39.210 11.476 11.792 293 HG3 LYS 37 HG1 LYS 37 39.547 10.236 10.585 294 HD2 LYS 37 HD2 LYS 37 41.751 9.875 11.732 295 HD3 LYS 37 HD1 LYS 37 41.173 10.948 13.012 296 HE2 LYS 37 HE2 LYS 37 40.808 8.574 13.540 297 HE3 LYS 37 HE1 LYS 37 39.304 9.486 13.450 298 HZ1 LYS 37 HZ1 LYS 37 40.390 7.830 11.236 299 HZ2 LYS 37 HZ2 LYS 37 38.874 8.584 11.273 300 HZ3 LYS 37 HZ3 LYS 37 39.214 7.303 12.323 301 H LYS 38 HN LYS 38 39.920 15.298 10.645 302 HA LYS 38 HA LYS 38 40.044 17.082 9.312 303 HB2 LYS 38 HB2 LYS 38 42.981 16.413 9.074 304 HB3 LYS 38 HB1 LYS 38 42.235 17.894 8.491 305 HG2 LYS 38 HG2 LYS 38 42.662 16.993 11.317 306 HG3 LYS 38 HG1 LYS 38 43.163 18.494 10.535 307 HD2 LYS 38 HD2 LYS 38 40.729 19.081 10.314 308 HD3 LYS 38 HD1 LYS 38 40.369 17.680 11.324 309 HE2 LYS 38 HE2 LYS 38 40.400 19.570 12.755 310 HE3 LYS 38 HE1 LYS 38 41.890 18.678 13.060 311 HZ1 LYS 38 HZ1 LYS 38 42.247 21.075 12.882 312 HZ2 LYS 38 HZ2 LYS 38 41.645 21.051 11.296 313 HZ3 LYS 38 HZ3 LYS 38 43.081 20.232 11.673 314 H GLU 39 HN GLU 39 39.655 14.296 8.355 315 HA GLU 39 HA GLU 39 40.306 14.557 5.529 316 HB2 GLU 39 HB2 GLU 39 38.744 12.413 6.996 317 HB3 GLU 39 HB1 GLU 39 39.177 12.368 5.294 318 HG2 GLU 39 HG2 GLU 39 41.555 12.387 5.927 319 HG3 GLU 39 HG1 GLU 39 41.079 12.335 7.622 320 H ALA 40 HN ALA 40 38.153 15.807 7.552 321 HA ALA 40 HA ALA 40 36.262 16.371 5.414 322 HB1 ALA 40 HB1 ALA 40 35.248 14.561 6.748 323 HB2 ALA 40 HB2 ALA 40 34.343 16.067 6.893 324 HB3 ALA 40 HB3 ALA 40 35.410 15.551 8.198 325 H GLU 41 HN GLU 41 36.540 17.046 8.905 326 HA GLU 41 HA GLU 41 36.596 18.924 10.114 327 HB2 GLU 41 HB2 GLU 41 38.835 19.081 8.935 328 HB3 GLU 41 HB1 GLU 41 38.075 20.189 7.801 329 HG2 GLU 41 HG2 GLU 41 37.498 21.663 9.719 330 HG3 GLU 41 HG1 GLU 41 38.414 20.585 10.765 331 H ARG 42 HN ARG 42 34.345 19.142 9.968 332 HA ARG 42 HA ARG 42 33.457 21.566 8.959 333 HB2 ARG 42 HB2 ARG 42 31.776 20.667 7.377 334 HB3 ARG 42 HB1 ARG 42 33.423 20.419 6.818 335 HG2 ARG 42 HG2 ARG 42 33.323 18.089 7.570 336 HG3 ARG 42 HG1 ARG 42 31.664 18.342 8.114 337 HD2 ARG 42 HD2 ARG 42 31.645 17.268 5.962 338 HD3 ARG 42 HD1 ARG 42 31.036 18.915 5.795 339 HE ARG 42 HE ARG 42 33.662 19.174 5.220 340 HH11 ARG 42 HH11 ARG 42 31.140 17.041 4.016 341 HH12 ARG 42 HH12 ARG 42 31.852 16.885 2.447 342 HH21 ARG 42 HH21 ARG 42 34.600 18.963 3.137 343 HH22 ARG 42 HH22 ARG 42 33.820 17.979 1.948 344 H LYS 43 HN LYS 43 32.073 22.112 10.287 345 HA LYS 43 HA LYS 43 30.871 20.472 12.276 346 HB2 LYS 43 HB2 LYS 43 30.452 23.357 11.499 347 HB3 LYS 43 HB1 LYS 43 29.390 22.576 12.654 348 HG2 LYS 43 HG2 LYS 43 32.351 22.487 13.037 349 HG3 LYS 43 HG1 LYS 43 31.411 23.899 13.529 350 HD2 LYS 43 HD2 LYS 43 30.078 22.584 15.016 351 HD3 LYS 43 HD1 LYS 43 30.758 21.084 14.388 352 HE2 LYS 43 HE2 LYS 43 32.361 23.201 15.814 353 HE3 LYS 43 HE1 LYS 43 31.665 21.790 16.607 354 HZ1 LYS 43 HZ1 LYS 43 33.750 21.821 14.499 355 HZ2 LYS 43 HZ2 LYS 43 32.944 20.417 14.987 356 HZ3 LYS 43 HZ3 LYS 43 33.903 21.269 16.092 357 H ALA 44 HN ALA 44 30.055 21.054 9.089 358 HA ALA 44 HA ALA 44 27.298 21.039 8.970 359 HB1 ALA 44 HB1 ALA 44 29.163 19.576 7.090 360 HB2 ALA 44 HB2 ALA 44 28.649 21.261 6.956 361 HB3 ALA 44 HB3 ALA 44 27.477 19.965 6.772 362 H LEU 45 HN LEU 45 29.385 18.128 9.146 363 HA LEU 45 HA LEU 45 27.289 16.276 9.287 364 HB2 LEU 45 HB2 LEU 45 30.100 16.092 10.369 365 HB3 LEU 45 HB1 LEU 45 28.997 14.741 10.223 366 HG LEU 45 HG LEU 45 30.009 16.367 7.890 367 HD11 LEU 45 HD11 LEU 45 31.411 14.432 7.392 368 HD12 LEU 45 HD12 LEU 45 30.875 13.656 8.881 369 HD13 LEU 45 HD13 LEU 45 31.825 15.141 8.952 370 HD21 LEU 45 HD21 LEU 45 27.851 15.341 7.464 371 HD22 LEU 45 HD22 LEU 45 28.454 13.787 8.038 372 HD23 LEU 45 HD23 LEU 45 29.111 14.497 6.564 373 H GLU 46 HN GLU 46 28.627 18.350 11.712 374 HA GLU 46 HA GLU 46 27.587 16.776 13.901 375 HB2 GLU 46 HB2 GLU 46 28.920 19.495 13.922 376 HB3 GLU 46 HB1 GLU 46 28.542 18.524 15.338 377 HG2 GLU 46 HG2 GLU 46 30.054 16.768 14.537 378 HG3 GLU 46 HG1 GLU 46 30.446 17.756 13.133 379 H ASP 47 HN ASP 47 26.893 19.928 12.395 380 HA ASP 47 HA ASP 47 24.722 20.643 14.003 381 HB2 ASP 47 HB2 ASP 47 25.324 21.370 11.132 382 HB3 ASP 47 HB1 ASP 47 23.985 22.056 12.037 383 H LYS 48 HN LYS 48 24.846 18.006 11.981 384 HA LYS 48 HA LYS 48 22.251 18.037 10.905 385 HB2 LYS 48 HB2 LYS 48 24.101 15.713 11.505 386 HB3 LYS 48 HB1 LYS 48 22.559 15.527 10.687 387 HG2 LYS 48 HG2 LYS 48 24.772 17.296 9.682 388 HG3 LYS 48 HG1 LYS 48 24.536 15.621 9.178 389 HD2 LYS 48 HD2 LYS 48 22.309 16.178 8.346 390 HD3 LYS 48 HD1 LYS 48 22.518 17.846 8.880 391 HE2 LYS 48 HE2 LYS 48 24.281 16.461 6.870 392 HE3 LYS 48 HE1 LYS 48 22.921 17.499 6.450 393 HZ1 LYS 48 HZ1 LYS 48 24.001 19.340 7.520 394 HZ2 LYS 48 HZ2 LYS 48 25.057 18.667 6.391 395 HZ3 LYS 48 HZ3 LYS 48 25.274 18.362 8.044 396 H LEU 49 HN LEU 49 20.352 16.524 11.662 397 HA LEU 49 HA LEU 49 19.889 16.901 14.408 398 HB2 LEU 49 HB2 LEU 49 17.803 15.560 13.942 399 HB3 LEU 49 HB1 LEU 49 18.015 17.026 13.012 400 HG LEU 49 HG LEU 49 18.877 15.531 11.123 401 HD11 LEU 49 HD11 LEU 49 18.133 13.209 11.141 402 HD12 LEU 49 HD12 LEU 49 17.598 13.391 12.812 403 HD13 LEU 49 HD13 LEU 49 19.312 13.522 12.414 404 HD21 LEU 49 HD21 LEU 49 16.013 15.266 12.020 405 HD22 LEU 49 HD22 LEU 49 16.612 14.970 10.388 406 HD23 LEU 49 HD23 LEU 49 16.694 16.592 11.076 407 H ALA 50 HN ALA 50 21.878 14.693 13.087 408 HA ALA 50 HA ALA 50 21.241 12.268 14.294 409 HB1 ALA 50 HB1 ALA 50 23.605 11.706 14.038 410 HB2 ALA 50 HB2 ALA 50 23.988 13.404 13.758 411 HB3 ALA 50 HB3 ALA 50 22.997 12.521 12.597 412 H ASP 51 HN ASP 51 23.848 14.401 15.444 413 HA ASP 51 HA ASP 51 22.854 14.248 18.177 414 HB2 ASP 51 HB2 ASP 51 25.685 13.407 17.478 415 HB3 ASP 51 HB1 ASP 51 25.026 13.563 19.098 416 H TYR 52 HN TYR 52 23.616 15.943 19.431 417 HA TYR 52 HA TYR 52 25.123 17.958 17.923 418 HB2 TYR 52 HB2 TYR 52 22.869 18.307 19.887 419 HB3 TYR 52 HB1 TYR 52 23.934 19.632 19.424 420 HD1 TYR 52 HD1 TYR 52 21.182 17.492 18.391 421 HD2 TYR 52 HD2 TYR 52 23.948 20.459 17.117 422 HE1 TYR 52 HE1 TYR 52 19.810 17.908 16.394 423 HE2 TYR 52 HE2 TYR 52 22.587 20.884 15.123 424 HH TYR 52 HH TYR 52 20.937 19.676 13.746 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 5.003 -19.340 11.511 2 H2 GLY 1 HT2 GLY 1 4.641 -20.533 10.372 3 H3 GLY 1 HT3 GLY 1 4.397 -20.829 12.018 4 HA2 GLY 1 HA1 GLY 1 2.304 -20.384 10.895 5 HA3 GLY 1 HA2 GLY 1 2.671 -19.192 12.134 6 H SER 2 HN SER 2 4.184 -19.377 8.958 7 HA SER 2 HA SER 2 3.514 -16.630 8.483 8 HB2 SER 2 HB2 SER 2 4.816 -17.060 6.342 9 HB3 SER 2 HB1 SER 2 5.710 -17.300 7.844 10 HG SER 2 HG SER 2 4.476 -19.315 6.269 11 H VAL 3 HN VAL 3 1.343 -16.476 8.122 12 HA VAL 3 HA VAL 3 -0.050 -18.239 6.369 13 HB VAL 3 HB VAL 3 -1.926 -16.621 6.560 14 HG11 VAL 3 HG11 VAL 3 -2.275 -16.891 8.987 15 HG12 VAL 3 HG12 VAL 3 -0.587 -17.367 9.157 16 HG13 VAL 3 HG13 VAL 3 -1.696 -18.367 8.219 17 HG21 VAL 3 HG21 VAL 3 -0.630 -14.549 6.683 18 HG22 VAL 3 HG22 VAL 3 0.004 -15.031 8.257 19 HG23 VAL 3 HG23 VAL 3 -1.716 -14.693 8.066 20 H GLU 4 HN GLU 4 1.595 -15.249 6.072 21 HA GLU 4 HA GLU 4 2.248 -13.929 4.307 22 HB2 GLU 4 HB2 GLU 4 1.687 -16.388 2.640 23 HB3 GLU 4 HB1 GLU 4 2.690 -15.019 2.189 24 HG2 GLU 4 HG2 GLU 4 3.248 -16.961 4.424 25 HG3 GLU 4 HG1 GLU 4 4.044 -16.925 2.853 26 H LYS 5 HN LYS 5 0.048 -12.867 4.849 27 HA LYS 5 HA LYS 5 -1.729 -12.976 2.518 28 HB2 LYS 5 HB2 LYS 5 -2.583 -12.953 5.420 29 HB3 LYS 5 HB1 LYS 5 -3.668 -12.672 4.069 30 HG2 LYS 5 HG2 LYS 5 -3.027 -14.958 3.226 31 HG3 LYS 5 HG1 LYS 5 -2.206 -15.204 4.766 32 HD2 LYS 5 HD2 LYS 5 -5.128 -14.510 4.459 33 HD3 LYS 5 HD1 LYS 5 -4.504 -16.137 4.725 34 HE2 LYS 5 HE2 LYS 5 -3.617 -15.493 6.873 35 HE3 LYS 5 HE1 LYS 5 -4.056 -13.811 6.593 36 HZ1 LYS 5 HZ1 LYS 5 -6.000 -16.044 6.767 37 HZ2 LYS 5 HZ2 LYS 5 -6.357 -14.393 6.658 38 HZ3 LYS 5 HZ3 LYS 5 -5.611 -15.010 8.045 39 H LEU 6 HN LEU 6 0.381 -11.172 3.004 40 HA LEU 6 HA LEU 6 0.864 -8.957 2.955 41 HB2 LEU 6 HB2 LEU 6 -2.138 -8.590 2.904 42 HB3 LEU 6 HB1 LEU 6 -0.966 -7.317 2.628 43 HG LEU 6 HG LEU 6 -1.402 -9.739 0.877 44 HD11 LEU 6 HD11 LEU 6 -1.995 -6.823 0.416 45 HD12 LEU 6 HD12 LEU 6 -3.185 -8.089 0.717 46 HD13 LEU 6 HD13 LEU 6 -2.213 -8.123 -0.755 47 HD21 LEU 6 HD21 LEU 6 0.491 -7.411 0.557 48 HD22 LEU 6 HD22 LEU 6 0.183 -8.655 -0.652 49 HD23 LEU 6 HD23 LEU 6 0.943 -9.086 0.877 50 H THR 7 HN THR 7 0.527 -10.438 5.459 51 HA THR 7 HA THR 7 0.289 -8.224 7.165 52 HB THR 7 HB THR 7 -1.861 -9.348 7.416 53 HG1 THR 7 HG1 THR 7 -1.074 -8.709 9.388 54 HG21 THR 7 HG21 THR 7 -2.048 -11.716 8.011 55 HG22 THR 7 HG22 THR 7 -0.297 -11.889 7.904 56 HG23 THR 7 HG23 THR 7 -1.236 -11.523 6.458 57 H ALA 8 HN ALA 8 1.609 -8.777 9.090 58 HA ALA 8 HA ALA 8 3.429 -9.516 10.242 59 HB1 ALA 8 HB1 ALA 8 3.332 -11.961 8.468 60 HB2 ALA 8 HB2 ALA 8 2.527 -11.799 10.029 61 HB3 ALA 8 HB3 ALA 8 4.288 -11.781 9.938 62 H ASP 9 HN ASP 9 3.489 -9.776 6.814 63 HA ASP 9 HA ASP 9 6.265 -9.578 6.363 64 HB2 ASP 9 HB2 ASP 9 4.104 -8.470 4.557 65 HB3 ASP 9 HB1 ASP 9 5.728 -8.961 4.098 66 H ALA 10 HN ALA 10 3.711 -7.179 6.633 67 HA ALA 10 HA ALA 10 5.232 -4.892 6.164 68 HB1 ALA 10 HB1 ALA 10 3.466 -3.642 7.280 69 HB2 ALA 10 HB2 ALA 10 2.804 -5.126 7.952 70 HB3 ALA 10 HB3 ALA 10 2.778 -4.854 6.205 71 H GLU 11 HN GLU 11 4.904 -6.838 9.067 72 HA GLU 11 HA GLU 11 6.019 -4.864 10.814 73 HB2 GLU 11 HB2 GLU 11 4.575 -6.623 11.717 74 HB3 GLU 11 HB1 GLU 11 5.706 -7.861 11.185 75 HG2 GLU 11 HG2 GLU 11 7.334 -7.151 12.750 76 HG3 GLU 11 HG1 GLU 11 6.395 -5.718 13.163 77 H LEU 12 HN LEU 12 7.236 -7.735 9.204 78 HA LEU 12 HA LEU 12 9.910 -7.426 10.130 79 HB2 LEU 12 HB2 LEU 12 10.564 -9.082 8.437 80 HB3 LEU 12 HB1 LEU 12 9.177 -9.608 9.356 81 HG LEU 12 HG LEU 12 7.818 -8.725 7.272 82 HD11 LEU 12 HD11 LEU 12 10.488 -9.255 6.020 83 HD12 LEU 12 HD12 LEU 12 9.706 -7.678 6.160 84 HD13 LEU 12 HD13 LEU 12 8.965 -8.944 5.183 85 HD21 LEU 12 HD21 LEU 12 8.014 -10.933 6.247 86 HD22 LEU 12 HD22 LEU 12 7.868 -11.029 8.001 87 HD23 LEU 12 HD23 LEU 12 9.440 -11.256 7.233 88 H GLN 13 HN GLN 13 8.124 -6.116 7.492 89 HA GLN 13 HA GLN 13 10.308 -5.032 6.026 90 HB2 GLN 13 HB2 GLN 13 8.078 -5.259 5.005 91 HB3 GLN 13 HB1 GLN 13 7.424 -4.091 6.147 92 HG2 GLN 13 HG2 GLN 13 8.924 -2.381 5.198 93 HG3 GLN 13 HG1 GLN 13 9.464 -3.560 4.003 94 HE21 GLN 13 HE21 GLN 13 8.095 -1.004 3.648 95 HE22 GLN 13 HE22 GLN 13 6.644 -1.360 2.776 96 H ARG 14 HN ARG 14 8.114 -3.663 8.463 97 HA ARG 14 HA ARG 14 9.316 -1.118 8.590 98 HB2 ARG 14 HB2 ARG 14 7.753 -2.638 10.696 99 HB3 ARG 14 HB1 ARG 14 8.251 -0.964 10.862 100 HG2 ARG 14 HG2 ARG 14 6.461 -2.005 8.679 101 HG3 ARG 14 HG1 ARG 14 5.908 -1.215 10.156 102 HD2 ARG 14 HD2 ARG 14 7.716 0.010 8.076 103 HD3 ARG 14 HD1 ARG 14 5.994 0.333 8.253 104 HE ARG 14 HE ARG 14 6.840 0.999 10.667 105 HH11 ARG 14 HH11 ARG 14 8.255 1.746 7.550 106 HH12 ARG 14 HH12 ARG 14 8.923 3.253 8.073 107 HH21 ARG 14 HH21 ARG 14 7.721 2.991 11.361 108 HH22 ARG 14 HH22 ARG 14 8.629 3.961 10.251 109 H LEU 15 HN LEU 15 9.836 -4.045 10.467 110 HA LEU 15 HA LEU 15 11.723 -3.109 12.295 111 HB2 LEU 15 HB2 LEU 15 10.659 -5.342 12.376 112 HB3 LEU 15 HB1 LEU 15 11.624 -5.839 11.001 113 HG LEU 15 HG LEU 15 13.669 -5.469 12.403 114 HD11 LEU 15 HD11 LEU 15 11.637 -5.189 14.609 115 HD12 LEU 15 HD12 LEU 15 12.735 -3.935 14.033 116 HD13 LEU 15 HD13 LEU 15 13.377 -5.369 14.831 117 HD21 LEU 15 HD21 LEU 15 12.750 -7.695 12.051 118 HD22 LEU 15 HD22 LEU 15 11.652 -7.471 13.413 119 HD23 LEU 15 HD23 LEU 15 13.392 -7.538 13.685 120 H LYS 16 HN LYS 16 12.153 -4.274 9.022 121 HA LYS 16 HA LYS 16 15.026 -4.046 9.112 122 HB2 LYS 16 HB2 LYS 16 13.929 -5.715 7.644 123 HB3 LYS 16 HB1 LYS 16 13.247 -4.411 6.681 124 HG2 LYS 16 HG2 LYS 16 15.537 -3.672 6.131 125 HG3 LYS 16 HG1 LYS 16 16.166 -5.058 7.021 126 HD2 LYS 16 HD2 LYS 16 14.355 -5.179 4.607 127 HD3 LYS 16 HD1 LYS 16 16.088 -5.495 4.611 128 HE2 LYS 16 HE2 LYS 16 15.705 -7.360 6.189 129 HE3 LYS 16 HE1 LYS 16 13.971 -7.066 6.078 130 HZ1 LYS 16 HZ1 LYS 16 14.128 -7.510 3.681 131 HZ2 LYS 16 HZ2 LYS 16 14.587 -8.837 4.615 132 HZ3 LYS 16 HZ3 LYS 16 15.767 -7.890 3.867 133 H ASN 17 HN ASN 17 12.408 -2.218 7.534 134 HA ASN 17 HA ASN 17 14.013 -0.316 6.247 135 HB2 ASN 17 HB2 ASN 17 11.556 -0.635 5.811 136 HB3 ASN 17 HB1 ASN 17 11.227 0.193 7.332 137 HD21 ASN 17 HD21 ASN 17 11.526 2.422 7.453 138 HD22 ASN 17 HD22 ASN 17 11.780 3.394 6.049 139 H GLU 18 HN GLU 18 12.520 -0.216 9.459 140 HA GLU 18 HA GLU 18 13.393 2.362 10.118 141 HB2 GLU 18 HB2 GLU 18 12.688 -0.002 11.850 142 HB3 GLU 18 HB1 GLU 18 13.080 1.581 12.503 143 HG2 GLU 18 HG2 GLU 18 11.195 2.557 11.310 144 HG3 GLU 18 HG1 GLU 18 10.815 0.985 10.609 145 H ARG 19 HN ARG 19 14.996 -0.774 10.340 146 HA ARG 19 HA ARG 19 17.149 0.249 11.892 147 HB2 ARG 19 HB2 ARG 19 16.638 -2.198 11.791 148 HB3 ARG 19 HB1 ARG 19 17.253 -2.218 10.141 149 HG2 ARG 19 HG2 ARG 19 18.961 -3.005 11.655 150 HG3 ARG 19 HG1 ARG 19 19.446 -1.449 10.976 151 HD2 ARG 19 HD2 ARG 19 18.376 -0.433 13.095 152 HD3 ARG 19 HD1 ARG 19 18.443 -2.063 13.737 153 HE ARG 19 HE ARG 19 20.828 -0.575 12.844 154 HH11 ARG 19 HH11 ARG 19 19.244 -2.769 15.067 155 HH12 ARG 19 HH12 ARG 19 20.574 -2.845 16.162 156 HH21 ARG 19 HH21 ARG 19 22.599 -0.618 14.313 157 HH22 ARG 19 HH22 ARG 19 22.502 -1.622 15.725 158 H HIS 20 HN HIS 20 16.489 0.163 8.479 159 HA HIS 20 HA HIS 20 19.145 0.739 7.635 160 HB2 HIS 20 HB2 HIS 20 16.487 1.239 6.271 161 HB3 HIS 20 HB1 HIS 20 18.021 1.695 5.547 162 HD1 HIS 20 HD1 HIS 20 19.738 -0.362 5.138 163 HD2 HIS 20 HD2 HIS 20 15.769 -1.361 5.844 164 HE1 HIS 20 HE1 HIS 20 19.498 -2.739 4.368 165 H GLU 21 HN GLU 21 16.433 2.772 8.578 166 HA GLU 21 HA GLU 21 17.694 5.267 8.114 167 HB2 GLU 21 HB2 GLU 21 15.651 4.610 10.232 168 HB3 GLU 21 HB1 GLU 21 15.985 6.192 9.553 169 HG2 GLU 21 HG2 GLU 21 15.110 5.485 7.411 170 HG3 GLU 21 HG1 GLU 21 14.837 3.861 8.043 171 H GLU 22 HN GLU 22 17.653 2.983 10.750 172 HA GLU 22 HA GLU 22 18.986 4.583 12.697 173 HB2 GLU 22 HB2 GLU 22 17.654 2.681 13.425 174 HB3 GLU 22 HB1 GLU 22 18.608 1.580 12.445 175 HG2 GLU 22 HG2 GLU 22 19.203 1.297 14.731 176 HG3 GLU 22 HG1 GLU 22 20.555 2.044 13.885 177 H ALA 23 HN ALA 23 20.022 2.652 9.991 178 HA ALA 23 HA ALA 23 22.702 2.283 11.004 179 HB1 ALA 23 HB1 ALA 23 21.644 0.535 9.590 180 HB2 ALA 23 HB2 ALA 23 23.149 1.145 8.912 181 HB3 ALA 23 HB3 ALA 23 21.611 1.677 8.242 182 H GLU 24 HN GLU 24 20.898 4.529 9.239 183 HA GLU 24 HA GLU 24 23.050 5.756 7.800 184 HB2 GLU 24 HB2 GLU 24 20.750 6.113 7.052 185 HB3 GLU 24 HB1 GLU 24 20.325 6.850 8.591 186 HG2 GLU 24 HG2 GLU 24 21.886 8.681 8.116 187 HG3 GLU 24 HG1 GLU 24 22.237 7.948 6.551 188 H LEU 25 HN LEU 25 21.365 6.393 10.808 189 HA LEU 25 HA LEU 25 22.947 8.597 11.605 190 HB2 LEU 25 HB2 LEU 25 21.053 6.760 13.002 191 HB3 LEU 25 HB1 LEU 25 22.107 7.762 13.977 192 HG LEU 25 HG LEU 25 21.166 9.783 12.925 193 HD11 LEU 25 HD11 LEU 25 20.542 8.876 10.756 194 HD12 LEU 25 HD12 LEU 25 19.166 9.644 11.541 195 HD13 LEU 25 HD13 LEU 25 19.292 7.888 11.517 196 HD21 LEU 25 HD21 LEU 25 20.197 8.963 14.992 197 HD22 LEU 25 HD22 LEU 25 19.105 7.918 14.086 198 HD23 LEU 25 HD23 LEU 25 18.953 9.670 13.964 199 H GLU 26 HN GLU 26 23.203 5.136 12.153 200 HA GLU 26 HA GLU 26 25.441 5.315 13.899 201 HB2 GLU 26 HB2 GLU 26 24.482 3.000 12.205 202 HB3 GLU 26 HB1 GLU 26 25.742 2.888 13.425 203 HG2 GLU 26 HG2 GLU 26 24.021 3.707 15.089 204 HG3 GLU 26 HG1 GLU 26 22.812 3.439 13.837 205 H ARG 27 HN ARG 27 25.081 4.920 10.431 206 HA ARG 27 HA ARG 27 27.810 4.579 9.764 207 HB2 ARG 27 HB2 ARG 27 26.002 4.137 8.149 208 HB3 ARG 27 HB1 ARG 27 25.581 5.844 8.135 209 HG2 ARG 27 HG2 ARG 27 27.724 6.373 7.126 210 HG3 ARG 27 HG1 ARG 27 28.173 4.666 7.171 211 HD2 ARG 27 HD2 ARG 27 27.372 5.260 4.958 212 HD3 ARG 27 HD1 ARG 27 26.255 4.138 5.733 213 HE ARG 27 HE ARG 27 25.699 7.016 5.862 214 HH11 ARG 27 HH11 ARG 27 24.824 3.823 4.686 215 HH12 ARG 27 HH12 ARG 27 23.289 4.322 4.079 216 HH21 ARG 27 HH21 ARG 27 23.643 7.679 5.068 217 HH22 ARG 27 HH22 ARG 27 22.601 6.524 4.310 218 H LEU 28 HN LEU 28 25.888 7.353 10.509 219 HA LEU 28 HA LEU 28 27.844 9.265 9.591 220 HB2 LEU 28 HB2 LEU 28 25.388 9.753 9.598 221 HB3 LEU 28 HB1 LEU 28 25.425 9.734 11.351 222 HG LEU 28 HG LEU 28 26.921 11.672 11.346 223 HD11 LEU 28 HD11 LEU 28 26.587 11.551 8.354 224 HD12 LEU 28 HD12 LEU 28 28.084 11.313 9.258 225 HD13 LEU 28 HD13 LEU 28 27.304 12.892 9.242 226 HD21 LEU 28 HD21 LEU 28 24.423 12.029 9.697 227 HD22 LEU 28 HD22 LEU 28 25.293 13.314 10.534 228 HD23 LEU 28 HD23 LEU 28 24.519 12.028 11.458 229 H LYS 29 HN LYS 29 27.272 7.415 12.425 230 HA LYS 29 HA LYS 29 28.797 9.191 14.147 231 HB2 LYS 29 HB2 LYS 29 26.894 8.086 15.185 232 HB3 LYS 29 HB1 LYS 29 27.455 6.509 14.647 233 HG2 LYS 29 HG2 LYS 29 29.489 6.853 16.074 234 HG3 LYS 29 HG1 LYS 29 28.693 8.283 16.731 235 HD2 LYS 29 HD2 LYS 29 27.489 5.519 16.767 236 HD3 LYS 29 HD1 LYS 29 28.418 6.202 18.101 237 HE2 LYS 29 HE2 LYS 29 25.921 7.436 16.943 238 HE3 LYS 29 HE1 LYS 29 25.956 6.412 18.376 239 HZ1 LYS 29 HZ1 LYS 29 25.963 8.757 18.940 240 HZ2 LYS 29 HZ2 LYS 29 27.392 8.991 18.080 241 HZ3 LYS 29 HZ3 LYS 29 27.386 8.009 19.455 242 H SER 30 HN SER 30 29.087 6.376 12.184 243 HA SER 30 HA SER 30 31.434 5.367 13.500 244 HB2 SER 30 HB2 SER 30 29.813 3.829 12.360 245 HB3 SER 30 HB1 SER 30 30.315 4.515 10.811 246 HG SER 30 HG SER 30 31.462 2.591 11.323 247 H GLU 31 HN GLU 31 30.705 7.600 11.000 248 HA GLU 31 HA GLU 31 33.171 7.511 9.629 249 HB2 GLU 31 HB2 GLU 31 31.110 8.606 8.763 250 HB3 GLU 31 HB1 GLU 31 31.315 9.870 9.967 251 HG2 GLU 31 HG2 GLU 31 32.119 10.534 7.750 252 HG3 GLU 31 HG1 GLU 31 33.395 10.551 8.967 253 H ARG 32 HN ARG 32 32.049 9.249 12.488 254 HA ARG 32 HA ARG 32 34.533 10.694 12.731 255 HB2 ARG 32 HB2 ARG 32 31.968 10.595 14.282 256 HB3 ARG 32 HB1 ARG 32 33.401 11.333 14.986 257 HG2 ARG 32 HG2 ARG 32 33.467 13.023 13.381 258 HG3 ARG 32 HG1 ARG 32 32.405 12.146 12.281 259 HD2 ARG 32 HD2 ARG 32 31.486 13.084 14.981 260 HD3 ARG 32 HD1 ARG 32 31.409 14.123 13.557 261 HE ARG 32 HE ARG 32 30.174 11.891 12.711 262 HH11 ARG 32 HH11 ARG 32 29.721 13.864 15.583 263 HH12 ARG 32 HH12 ARG 32 28.029 13.531 15.704 264 HH21 ARG 32 HH21 ARG 32 27.956 11.441 12.876 265 HH22 ARG 32 HH22 ARG 32 27.012 12.148 14.144 266 H HIS 33 HN HIS 33 32.890 7.964 14.207 267 HA HIS 33 HA HIS 33 34.851 7.454 16.207 268 HB2 HIS 33 HB2 HIS 33 32.584 6.563 16.421 269 HB3 HIS 33 HB1 HIS 33 32.768 5.652 14.931 270 HD1 HIS 33 HD1 HIS 33 33.767 5.618 18.555 271 HD2 HIS 33 HD2 HIS 33 34.088 3.211 15.182 272 HE1 HIS 33 HE1 HIS 33 34.574 3.396 19.391 273 H ASP 34 HN ASP 34 34.797 7.057 12.860 274 HA ASP 34 HA ASP 34 36.494 4.778 12.616 275 HB2 ASP 34 HB2 ASP 34 35.021 5.504 10.758 276 HB3 ASP 34 HB1 ASP 34 35.990 6.964 10.574 277 H HIS 35 HN HIS 35 37.071 7.973 13.548 278 HA HIS 35 HA HIS 35 39.635 8.397 12.470 279 HB2 HIS 35 HB2 HIS 35 38.225 10.152 13.624 280 HB3 HIS 35 HB1 HIS 35 38.637 9.395 15.160 281 HD2 HIS 35 HD2 HIS 35 41.321 9.817 15.993 282 HE1 HIS 35 HE1 HIS 35 42.111 12.810 13.098 283 HE2 HIS 35 HE2 HIS 35 42.830 11.789 15.277 284 H ASP 36 HN ASP 36 38.526 6.355 15.017 285 HA ASP 36 HA ASP 36 41.167 6.031 16.169 286 HB2 ASP 36 HB2 ASP 36 38.556 4.655 16.829 287 HB3 ASP 36 HB1 ASP 36 40.070 4.407 17.689 288 H LYS 37 HN LYS 37 38.944 4.133 14.161 289 HA LYS 37 HA LYS 37 40.866 1.940 14.167 290 HB2 LYS 37 HB2 LYS 37 39.184 0.547 13.194 291 HB3 LYS 37 HB1 LYS 37 38.434 1.457 14.489 292 HG2 LYS 37 HG2 LYS 37 37.570 3.032 12.705 293 HG3 LYS 37 HG1 LYS 37 38.118 1.842 11.523 294 HD2 LYS 37 HD2 LYS 37 36.753 0.164 12.988 295 HD3 LYS 37 HD1 LYS 37 35.943 1.617 13.573 296 HE2 LYS 37 HE2 LYS 37 36.114 0.667 10.711 297 HE3 LYS 37 HE1 LYS 37 34.687 0.642 11.742 298 HZ1 LYS 37 HZ1 LYS 37 34.665 2.483 10.179 299 HZ2 LYS 37 HZ2 LYS 37 36.111 3.084 10.808 300 HZ3 LYS 37 HZ3 LYS 37 34.707 3.057 11.768 301 H LYS 38 HN LYS 38 39.640 4.397 12.028 302 HA LYS 38 HA LYS 38 40.270 5.162 10.002 303 HB2 LYS 38 HB2 LYS 38 42.882 3.842 10.733 304 HB3 LYS 38 HB1 LYS 38 42.664 5.039 9.466 305 HG2 LYS 38 HG2 LYS 38 41.997 6.689 11.141 306 HG3 LYS 38 HG1 LYS 38 42.222 5.483 12.411 307 HD2 LYS 38 HD2 LYS 38 44.585 5.281 11.789 308 HD3 LYS 38 HD1 LYS 38 44.356 6.498 10.536 309 HE2 LYS 38 HE2 LYS 38 45.357 7.498 12.498 310 HE3 LYS 38 HE1 LYS 38 43.731 8.131 12.257 311 HZ1 LYS 38 HZ1 LYS 38 44.346 5.907 14.113 312 HZ2 LYS 38 HZ2 LYS 38 42.905 6.798 14.004 313 HZ3 LYS 38 HZ3 LYS 38 44.312 7.529 14.584 314 H GLU 39 HN GLU 39 38.990 2.554 9.965 315 HA GLU 39 HA GLU 39 39.747 1.780 7.314 316 HB2 GLU 39 HB2 GLU 39 41.435 0.542 8.556 317 HB3 GLU 39 HB1 GLU 39 40.187 -0.191 9.555 318 HG2 GLU 39 HG2 GLU 39 39.256 -1.282 7.574 319 HG3 GLU 39 HG1 GLU 39 40.530 -0.568 6.592 320 H ALA 40 HN ALA 40 37.979 1.319 6.271 321 HA ALA 40 HA ALA 40 35.930 0.612 5.702 322 HB1 ALA 40 HB1 ALA 40 36.787 -1.568 6.452 323 HB2 ALA 40 HB2 ALA 40 35.053 -1.418 6.722 324 HB3 ALA 40 HB3 ALA 40 36.173 -1.243 8.072 325 H GLU 41 HN GLU 41 33.681 -0.203 7.229 326 HA GLU 41 HA GLU 41 33.133 2.294 8.684 327 HB2 GLU 41 HB2 GLU 41 31.942 2.102 6.529 328 HB3 GLU 41 HB1 GLU 41 31.203 0.606 7.083 329 HG2 GLU 41 HG2 GLU 41 30.170 1.895 8.946 330 HG3 GLU 41 HG1 GLU 41 30.789 3.366 8.195 331 H ARG 42 HN ARG 42 32.301 -1.167 8.468 332 HA ARG 42 HA ARG 42 32.202 -1.555 11.210 333 HB2 ARG 42 HB2 ARG 42 29.699 -0.831 9.828 334 HB3 ARG 42 HB1 ARG 42 29.624 -2.304 10.775 335 HG2 ARG 42 HG2 ARG 42 30.407 -1.024 12.744 336 HG3 ARG 42 HG1 ARG 42 30.339 0.446 11.764 337 HD2 ARG 42 HD2 ARG 42 27.987 0.160 11.407 338 HD3 ARG 42 HD1 ARG 42 28.013 -1.405 12.207 339 HE ARG 42 HE ARG 42 28.938 0.481 14.029 340 HH11 ARG 42 HH11 ARG 42 26.016 -0.228 12.250 341 HH12 ARG 42 HH12 ARG 42 24.944 0.370 13.472 342 HH21 ARG 42 HH21 ARG 42 27.554 1.277 15.675 343 HH22 ARG 42 HH22 ARG 42 25.833 1.236 15.446 344 H LYS 43 HN LYS 43 32.766 -3.498 11.321 345 HA LYS 43 HA LYS 43 32.651 -5.367 9.155 346 HB2 LYS 43 HB2 LYS 43 33.639 -6.978 10.787 347 HB3 LYS 43 HB1 LYS 43 34.547 -5.482 10.627 348 HG2 LYS 43 HG2 LYS 43 33.539 -4.656 12.700 349 HG3 LYS 43 HG1 LYS 43 32.647 -6.167 12.859 350 HD2 LYS 43 HD2 LYS 43 34.705 -7.409 13.065 351 HD3 LYS 43 HD1 LYS 43 35.653 -5.954 12.752 352 HE2 LYS 43 HE2 LYS 43 33.808 -6.362 15.105 353 HE3 LYS 43 HE1 LYS 43 35.564 -6.528 15.149 354 HZ1 LYS 43 HZ1 LYS 43 34.868 -4.361 15.947 355 HZ2 LYS 43 HZ2 LYS 43 34.072 -4.042 14.499 356 HZ3 LYS 43 HZ3 LYS 43 35.756 -4.201 14.522 357 H ALA 44 HN ALA 44 30.662 -4.614 11.847 358 HA ALA 44 HA ALA 44 29.335 -7.009 12.350 359 HB1 ALA 44 HB1 ALA 44 28.141 -4.231 12.447 360 HB2 ALA 44 HB2 ALA 44 29.015 -5.035 13.757 361 HB3 ALA 44 HB3 ALA 44 27.473 -5.672 13.204 362 H LEU 45 HN LEU 45 28.642 -4.596 9.853 363 HA LEU 45 HA LEU 45 26.303 -5.908 8.910 364 HB2 LEU 45 HB2 LEU 45 28.068 -3.805 7.649 365 HB3 LEU 45 HB1 LEU 45 26.686 -4.486 6.828 366 HG LEU 45 HG LEU 45 25.237 -3.657 8.699 367 HD11 LEU 45 HD11 LEU 45 27.731 -2.184 9.520 368 HD12 LEU 45 HD12 LEU 45 26.926 -3.458 10.434 369 HD13 LEU 45 HD13 LEU 45 26.111 -1.918 10.164 370 HD21 LEU 45 HD21 LEU 45 25.408 -2.456 6.594 371 HD22 LEU 45 HD22 LEU 45 26.831 -1.595 7.184 372 HD23 LEU 45 HD23 LEU 45 25.262 -1.329 7.943 373 H GLU 46 HN GLU 46 29.711 -6.007 7.950 374 HA GLU 46 HA GLU 46 29.371 -7.500 5.592 375 HB2 GLU 46 HB2 GLU 46 31.763 -7.322 7.433 376 HB3 GLU 46 HB1 GLU 46 31.777 -7.959 5.797 377 HG2 GLU 46 HG2 GLU 46 31.056 -5.135 6.529 378 HG3 GLU 46 HG1 GLU 46 32.637 -5.664 5.955 379 H ASP 47 HN ASP 47 29.835 -8.402 8.943 380 HA ASP 47 HA ASP 47 30.065 -11.206 8.308 381 HB2 ASP 47 HB2 ASP 47 29.831 -9.774 10.963 382 HB3 ASP 47 HB1 ASP 47 29.937 -11.521 10.806 383 H LYS 48 HN LYS 48 27.577 -9.026 9.390 384 HA LYS 48 HA LYS 48 25.651 -10.913 10.145 385 HB2 LYS 48 HB2 LYS 48 25.279 -8.585 10.678 386 HB3 LYS 48 HB1 LYS 48 25.194 -8.154 8.974 387 HG2 LYS 48 HG2 LYS 48 23.158 -9.394 8.712 388 HG3 LYS 48 HG1 LYS 48 23.275 -9.999 10.363 389 HD2 LYS 48 HD2 LYS 48 23.007 -7.744 11.228 390 HD3 LYS 48 HD1 LYS 48 22.958 -7.102 9.583 391 HE2 LYS 48 HE2 LYS 48 20.712 -7.366 10.606 392 HE3 LYS 48 HE1 LYS 48 20.923 -8.290 9.120 393 HZ1 LYS 48 HZ1 LYS 48 19.820 -9.610 10.812 394 HZ2 LYS 48 HZ2 LYS 48 21.107 -9.387 11.877 395 HZ3 LYS 48 HZ3 LYS 48 21.332 -10.269 10.459 396 H LEU 49 HN LEU 49 25.923 -9.302 6.918 397 HA LEU 49 HA LEU 49 24.012 -11.034 5.773 398 HB2 LEU 49 HB2 LEU 49 24.795 -10.066 3.611 399 HB3 LEU 49 HB1 LEU 49 24.281 -8.893 4.800 400 HG LEU 49 HG LEU 49 26.784 -8.600 5.330 401 HD11 LEU 49 HD11 LEU 49 27.617 -10.566 4.170 402 HD12 LEU 49 HD12 LEU 49 28.314 -9.094 3.494 403 HD13 LEU 49 HD13 LEU 49 27.020 -9.932 2.636 404 HD21 LEU 49 HD21 LEU 49 27.047 -6.991 3.518 405 HD22 LEU 49 HD22 LEU 49 25.422 -6.930 4.199 406 HD23 LEU 49 HD23 LEU 49 25.701 -7.734 2.656 407 H ALA 50 HN ALA 50 26.812 -11.967 6.928 408 HA ALA 50 HA ALA 50 27.409 -13.807 4.716 409 HB1 ALA 50 HB1 ALA 50 29.656 -14.025 5.670 410 HB2 ALA 50 HB2 ALA 50 29.228 -12.884 6.946 411 HB3 ALA 50 HB3 ALA 50 29.295 -12.346 5.267 412 H ASP 51 HN ASP 51 28.484 -15.871 5.719 413 HA ASP 51 HA ASP 51 27.187 -16.625 8.221 414 HB2 ASP 51 HB2 ASP 51 25.606 -17.287 6.463 415 HB3 ASP 51 HB1 ASP 51 26.878 -18.195 5.657 416 H TYR 52 HN TYR 52 28.528 -17.720 9.487 417 HA TYR 52 HA TYR 52 31.111 -18.466 8.514 418 HB2 TYR 52 HB2 TYR 52 29.828 -18.828 11.229 419 HB3 TYR 52 HB1 TYR 52 31.507 -19.181 10.859 420 HD1 TYR 52 HD1 TYR 52 29.274 -16.756 12.085 421 HD2 TYR 52 HD2 TYR 52 32.873 -17.169 9.852 422 HE1 TYR 52 HE1 TYR 52 29.871 -14.434 12.625 423 HE2 TYR 52 HE2 TYR 52 33.478 -14.847 10.388 424 HH TYR 52 HH TYR 52 32.308 -12.740 11.027 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -4.846 -19.321 13.793 2 H2 GLY 1 HT2 GLY 1 -4.387 -19.057 15.395 3 H3 GLY 1 HT3 GLY 1 -3.244 -18.931 14.156 4 HA2 GLY 1 HA1 GLY 1 -5.588 -17.166 14.506 5 HA3 GLY 1 HA2 GLY 1 -3.937 -16.759 14.952 6 H SER 2 HN SER 2 -6.201 -16.285 12.672 7 HA SER 2 HA SER 2 -4.640 -16.500 10.283 8 HB2 SER 2 HB2 SER 2 -7.119 -16.624 10.302 9 HB3 SER 2 HB1 SER 2 -7.181 -14.935 10.795 10 HG SER 2 HG SER 2 -7.430 -14.979 8.608 11 H VAL 3 HN VAL 3 -5.130 -14.132 12.739 12 HA VAL 3 HA VAL 3 -4.447 -11.774 11.464 13 HB VAL 3 HB VAL 3 -3.547 -10.978 13.684 14 HG11 VAL 3 HG11 VAL 3 -5.870 -10.674 13.080 15 HG12 VAL 3 HG12 VAL 3 -5.740 -11.063 14.795 16 HG13 VAL 3 HG13 VAL 3 -6.258 -12.296 13.647 17 HG21 VAL 3 HG21 VAL 3 -2.696 -13.095 14.538 18 HG22 VAL 3 HG22 VAL 3 -4.326 -13.765 14.553 19 HG23 VAL 3 HG23 VAL 3 -3.909 -12.437 15.636 20 H GLU 4 HN GLU 4 -2.191 -14.241 12.778 21 HA GLU 4 HA GLU 4 0.147 -12.815 12.329 22 HB2 GLU 4 HB2 GLU 4 -0.210 -15.807 12.250 23 HB3 GLU 4 HB1 GLU 4 1.273 -14.928 12.600 24 HG2 GLU 4 HG2 GLU 4 -1.217 -14.962 14.293 25 HG3 GLU 4 HG1 GLU 4 0.290 -15.813 14.624 26 H LYS 5 HN LYS 5 -1.984 -13.973 10.038 27 HA LYS 5 HA LYS 5 0.143 -14.122 8.009 28 HB2 LYS 5 HB2 LYS 5 -1.257 -16.154 8.177 29 HB3 LYS 5 HB1 LYS 5 -2.688 -15.186 7.856 30 HG2 LYS 5 HG2 LYS 5 -1.863 -14.653 5.640 31 HG3 LYS 5 HG1 LYS 5 -0.378 -15.548 5.958 32 HD2 LYS 5 HD2 LYS 5 -1.660 -17.605 6.204 33 HD3 LYS 5 HD1 LYS 5 -3.159 -16.716 5.935 34 HE2 LYS 5 HE2 LYS 5 -2.407 -16.122 3.686 35 HE3 LYS 5 HE1 LYS 5 -0.894 -16.984 3.961 36 HZ1 LYS 5 HZ1 LYS 5 -2.141 -19.031 4.198 37 HZ2 LYS 5 HZ2 LYS 5 -2.476 -18.317 2.704 38 HZ3 LYS 5 HZ3 LYS 5 -3.596 -18.207 3.957 39 H LEU 6 HN LEU 6 -3.062 -12.830 8.725 40 HA LEU 6 HA LEU 6 -3.325 -11.185 6.456 41 HB2 LEU 6 HB2 LEU 6 -4.516 -10.838 9.208 42 HB3 LEU 6 HB1 LEU 6 -5.044 -10.004 7.763 43 HG LEU 6 HG LEU 6 -5.178 -12.996 8.133 44 HD11 LEU 6 HD11 LEU 6 -7.570 -12.667 8.445 45 HD12 LEU 6 HD12 LEU 6 -7.345 -10.920 8.375 46 HD13 LEU 6 HD13 LEU 6 -6.648 -11.846 9.704 47 HD21 LEU 6 HD21 LEU 6 -6.386 -11.175 6.055 48 HD22 LEU 6 HD22 LEU 6 -6.627 -12.918 6.173 49 HD23 LEU 6 HD23 LEU 6 -5.029 -12.270 5.803 50 H THR 7 HN THR 7 -1.488 -10.778 9.369 51 HA THR 7 HA THR 7 -0.615 -8.201 8.460 52 HB THR 7 HB THR 7 -0.744 -7.411 10.914 53 HG1 THR 7 HG1 THR 7 -1.734 -9.791 11.269 54 HG21 THR 7 HG21 THR 7 -3.300 -7.711 9.326 55 HG22 THR 7 HG22 THR 7 -2.096 -6.442 9.110 56 HG23 THR 7 HG23 THR 7 -3.015 -6.539 10.612 57 H ALA 8 HN ALA 8 1.488 -9.096 8.199 58 HA ALA 8 HA ALA 8 3.056 -9.470 10.589 59 HB1 ALA 8 HB1 ALA 8 2.251 -11.750 10.173 60 HB2 ALA 8 HB2 ALA 8 3.991 -11.630 9.908 61 HB3 ALA 8 HB3 ALA 8 2.889 -11.678 8.532 62 H ASP 9 HN ASP 9 2.877 -9.545 7.075 63 HA ASP 9 HA ASP 9 5.597 -9.152 6.504 64 HB2 ASP 9 HB2 ASP 9 3.236 -8.177 4.877 65 HB3 ASP 9 HB1 ASP 9 4.873 -8.436 4.290 66 H ALA 10 HN ALA 10 2.960 -6.918 7.059 67 HA ALA 10 HA ALA 10 4.199 -4.495 6.531 68 HB1 ALA 10 HB1 ALA 10 1.796 -4.670 7.025 69 HB2 ALA 10 HB2 ALA 10 2.574 -3.445 8.020 70 HB3 ALA 10 HB3 ALA 10 2.171 -5.011 8.717 71 H GLU 11 HN GLU 11 4.448 -6.479 9.446 72 HA GLU 11 HA GLU 11 5.776 -4.422 10.950 73 HB2 GLU 11 HB2 GLU 11 5.414 -7.374 11.510 74 HB3 GLU 11 HB1 GLU 11 6.204 -6.250 12.605 75 HG2 GLU 11 HG2 GLU 11 3.348 -6.077 11.673 76 HG3 GLU 11 HG1 GLU 11 3.898 -6.638 13.252 77 H LEU 12 HN LEU 12 6.781 -7.402 9.350 78 HA LEU 12 HA LEU 12 9.521 -7.099 9.957 79 HB2 LEU 12 HB2 LEU 12 9.985 -8.758 8.215 80 HB3 LEU 12 HB1 LEU 12 8.681 -9.267 9.258 81 HG LEU 12 HG LEU 12 7.145 -8.377 7.320 82 HD11 LEU 12 HD11 LEU 12 8.895 -7.307 6.031 83 HD12 LEU 12 HD12 LEU 12 8.100 -8.588 5.120 84 HD13 LEU 12 HD13 LEU 12 9.698 -8.865 5.818 85 HD21 LEU 12 HD21 LEU 12 7.227 -10.576 6.263 86 HD22 LEU 12 HD22 LEU 12 7.293 -10.700 8.022 87 HD23 LEU 12 HD23 LEU 12 8.761 -10.904 7.068 88 H GLN 13 HN GLN 13 7.515 -5.675 7.545 89 HA GLN 13 HA GLN 13 9.620 -4.674 5.885 90 HB2 GLN 13 HB2 GLN 13 7.269 -4.900 5.079 91 HB3 GLN 13 HB1 GLN 13 6.788 -3.621 6.189 92 HG2 GLN 13 HG2 GLN 13 8.264 -2.066 4.994 93 HG3 GLN 13 HG1 GLN 13 8.676 -3.355 3.864 94 HE21 GLN 13 HE21 GLN 13 7.849 -2.261 2.105 95 HE22 GLN 13 HE22 GLN 13 6.151 -2.042 1.861 96 H ARG 14 HN ARG 14 7.793 -3.438 8.630 97 HA ARG 14 HA ARG 14 8.865 -0.815 8.628 98 HB2 ARG 14 HB2 ARG 14 7.726 -2.465 10.901 99 HB3 ARG 14 HB1 ARG 14 8.143 -0.766 11.023 100 HG2 ARG 14 HG2 ARG 14 6.459 -0.154 9.462 101 HG3 ARG 14 HG1 ARG 14 6.145 -1.842 9.054 102 HD2 ARG 14 HD2 ARG 14 4.435 -0.942 10.558 103 HD3 ARG 14 HD1 ARG 14 5.336 -2.256 11.310 104 HE ARG 14 HE ARG 14 6.445 0.297 11.940 105 HH11 ARG 14 HH11 ARG 14 3.913 -1.982 12.799 106 HH12 ARG 14 HH12 ARG 14 3.713 -1.339 14.395 107 HH21 ARG 14 HH21 ARG 14 6.192 1.127 14.066 108 HH22 ARG 14 HH22 ARG 14 5.005 0.432 15.118 109 H LEU 15 HN LEU 15 9.786 -3.796 10.295 110 HA LEU 15 HA LEU 15 11.950 -2.740 11.750 111 HB2 LEU 15 HB2 LEU 15 10.910 -4.894 12.268 112 HB3 LEU 15 HB1 LEU 15 11.472 -5.547 10.743 113 HG LEU 15 HG LEU 15 13.810 -5.271 11.520 114 HD11 LEU 15 HD11 LEU 15 14.223 -4.875 13.904 115 HD12 LEU 15 HD12 LEU 15 12.509 -4.529 14.137 116 HD13 LEU 15 HD13 LEU 15 13.492 -3.476 13.117 117 HD21 LEU 15 HD21 LEU 15 12.678 -7.414 11.738 118 HD22 LEU 15 HD22 LEU 15 12.023 -6.925 13.301 119 HD23 LEU 15 HD23 LEU 15 13.762 -7.144 13.104 120 H LYS 16 HN LYS 16 11.617 -3.817 8.479 121 HA LYS 16 HA LYS 16 14.395 -4.096 7.901 122 HB2 LYS 16 HB2 LYS 16 12.574 -5.117 6.507 123 HB3 LYS 16 HB1 LYS 16 12.158 -3.504 5.939 124 HG2 LYS 16 HG2 LYS 16 14.286 -3.285 4.860 125 HG3 LYS 16 HG1 LYS 16 14.834 -4.815 5.547 126 HD2 LYS 16 HD2 LYS 16 13.033 -5.974 4.331 127 HD3 LYS 16 HD1 LYS 16 12.567 -4.437 3.600 128 HE2 LYS 16 HE2 LYS 16 14.743 -4.255 2.541 129 HE3 LYS 16 HE1 LYS 16 15.268 -5.745 3.325 130 HZ1 LYS 16 HZ1 LYS 16 13.532 -6.927 2.116 131 HZ2 LYS 16 HZ2 LYS 16 14.606 -6.170 1.061 132 HZ3 LYS 16 HZ3 LYS 16 13.079 -5.500 1.334 133 H ASN 17 HN ASN 17 12.074 -1.464 7.545 134 HA ASN 17 HA ASN 17 13.902 0.390 6.420 135 HB2 ASN 17 HB2 ASN 17 11.362 0.866 8.006 136 HB3 ASN 17 HB1 ASN 17 12.289 2.145 7.239 137 HD21 ASN 17 HD21 ASN 17 12.971 0.471 4.917 138 HD22 ASN 17 HD22 ASN 17 11.528 0.392 3.975 139 H GLU 18 HN GLU 18 12.885 -0.241 9.747 140 HA GLU 18 HA GLU 18 14.411 1.754 10.997 141 HB2 GLU 18 HB2 GLU 18 13.552 -0.946 12.027 142 HB3 GLU 18 HB1 GLU 18 14.219 0.338 13.025 143 HG2 GLU 18 HG2 GLU 18 12.343 1.758 12.522 144 HG3 GLU 18 HG1 GLU 18 11.695 0.550 11.409 145 H ARG 19 HN ARG 19 15.219 -1.520 10.030 146 HA ARG 19 HA ARG 19 17.693 -1.773 11.321 147 HB2 ARG 19 HB2 ARG 19 16.580 -3.676 10.202 148 HB3 ARG 19 HB1 ARG 19 16.888 -2.936 8.635 149 HG2 ARG 19 HG2 ARG 19 18.478 -4.678 9.008 150 HG3 ARG 19 HG1 ARG 19 19.314 -3.125 9.078 151 HD2 ARG 19 HD2 ARG 19 19.191 -3.205 11.538 152 HD3 ARG 19 HD1 ARG 19 18.422 -4.787 11.431 153 HE ARG 19 HE ARG 19 20.940 -4.638 10.068 154 HH11 ARG 19 HH11 ARG 19 19.368 -5.270 13.144 155 HH12 ARG 19 HH12 ARG 19 20.708 -6.156 13.792 156 HH21 ARG 19 HH21 ARG 19 22.723 -5.793 10.935 157 HH22 ARG 19 HH22 ARG 19 22.623 -6.442 12.535 158 H HIS 20 HN HIS 20 16.963 -0.567 8.073 159 HA HIS 20 HA HIS 20 19.693 0.111 7.514 160 HB2 HIS 20 HB2 HIS 20 17.895 -0.347 5.748 161 HB3 HIS 20 HB1 HIS 20 17.296 1.277 6.082 162 HD1 HIS 20 HD1 HIS 20 19.126 3.269 5.607 163 HD2 HIS 20 HD2 HIS 20 19.915 -0.473 3.951 164 HE1 HIS 20 HE1 HIS 20 20.841 3.665 3.825 165 H GLU 21 HN GLU 21 16.985 1.749 8.904 166 HA GLU 21 HA GLU 21 17.934 4.418 8.564 167 HB2 GLU 21 HB2 GLU 21 15.566 4.005 9.008 168 HB3 GLU 21 HB1 GLU 21 15.958 3.329 10.585 169 HG2 GLU 21 HG2 GLU 21 16.672 5.448 11.395 170 HG3 GLU 21 HG1 GLU 21 16.557 6.161 9.788 171 H GLU 22 HN GLU 22 18.131 2.101 11.197 172 HA GLU 22 HA GLU 22 19.505 3.846 12.949 173 HB2 GLU 22 HB2 GLU 22 18.367 1.845 13.802 174 HB3 GLU 22 HB1 GLU 22 19.497 0.809 12.940 175 HG2 GLU 22 HG2 GLU 22 21.327 1.788 14.288 176 HG3 GLU 22 HG1 GLU 22 20.115 2.676 15.209 177 H ALA 23 HN ALA 23 20.747 1.161 10.870 178 HA ALA 23 HA ALA 23 23.411 1.501 11.480 179 HB1 ALA 23 HB1 ALA 23 22.517 -0.474 10.327 180 HB2 ALA 23 HB2 ALA 23 23.893 0.224 9.482 181 HB3 ALA 23 HB3 ALA 23 22.266 0.498 8.873 182 H GLU 24 HN GLU 24 21.473 3.341 9.165 183 HA GLU 24 HA GLU 24 23.812 4.381 7.852 184 HB2 GLU 24 HB2 GLU 24 22.295 5.844 6.612 185 HB3 GLU 24 HB1 GLU 24 21.724 4.185 6.583 186 HG2 GLU 24 HG2 GLU 24 20.097 4.751 8.347 187 HG3 GLU 24 HG1 GLU 24 20.645 6.425 8.279 188 H LEU 25 HN LEU 25 21.578 5.474 10.332 189 HA LEU 25 HA LEU 25 22.673 8.046 10.691 190 HB2 LEU 25 HB2 LEU 25 20.490 7.302 11.596 191 HB3 LEU 25 HB1 LEU 25 21.329 6.244 12.711 192 HG LEU 25 HG LEU 25 22.372 8.247 13.754 193 HD11 LEU 25 HD11 LEU 25 21.394 10.444 13.281 194 HD12 LEU 25 HD12 LEU 25 20.467 9.740 11.958 195 HD13 LEU 25 HD13 LEU 25 22.228 9.779 11.878 196 HD21 LEU 25 HD21 LEU 25 20.350 8.960 14.935 197 HD22 LEU 25 HD22 LEU 25 20.400 7.210 14.730 198 HD23 LEU 25 HD23 LEU 25 19.358 8.189 13.698 199 H GLU 26 HN GLU 26 23.205 5.040 12.332 200 HA GLU 26 HA GLU 26 25.272 5.745 14.078 201 HB2 GLU 26 HB2 GLU 26 24.946 3.106 12.640 202 HB3 GLU 26 HB1 GLU 26 26.103 3.374 13.933 203 HG2 GLU 26 HG2 GLU 26 24.112 4.061 15.360 204 HG3 GLU 26 HG1 GLU 26 23.103 3.374 14.089 205 H ARG 27 HN ARG 27 25.541 4.826 10.687 206 HA ARG 27 HA ARG 27 28.388 4.975 10.530 207 HB2 ARG 27 HB2 ARG 27 26.956 3.813 8.833 208 HB3 ARG 27 HB1 ARG 27 26.395 5.388 8.282 209 HG2 ARG 27 HG2 ARG 27 28.940 5.854 7.951 210 HG3 ARG 27 HG1 ARG 27 29.056 4.092 7.948 211 HD2 ARG 27 HD2 ARG 27 28.802 4.821 5.685 212 HD3 ARG 27 HD1 ARG 27 27.292 4.055 6.187 213 HE ARG 27 HE ARG 27 27.523 6.966 6.387 214 HH11 ARG 27 HH11 ARG 27 26.142 4.190 4.751 215 HH12 ARG 27 HH12 ARG 27 24.897 5.101 3.974 216 HH21 ARG 27 HH21 ARG 27 25.886 8.178 5.364 217 HH22 ARG 27 HH22 ARG 27 24.743 7.379 4.339 218 H LEU 28 HN LEU 28 25.878 7.307 10.497 219 HA LEU 28 HA LEU 28 27.421 9.407 9.230 220 HB2 LEU 28 HB2 LEU 28 24.966 9.326 8.954 221 HB3 LEU 28 HB1 LEU 28 24.759 9.524 10.682 222 HG LEU 28 HG LEU 28 25.752 11.768 10.527 223 HD11 LEU 28 HD11 LEU 28 27.154 11.452 8.567 224 HD12 LEU 28 HD12 LEU 28 26.047 12.804 8.327 225 HD13 LEU 28 HD13 LEU 28 25.721 11.251 7.559 226 HD21 LEU 28 HD21 LEU 28 23.421 11.290 8.677 227 HD22 LEU 28 HD22 LEU 28 23.847 12.826 9.433 228 HD23 LEU 28 HD23 LEU 28 23.334 11.465 10.428 229 H LYS 29 HN LYS 29 26.611 8.314 12.428 230 HA LYS 29 HA LYS 29 27.540 10.567 13.875 231 HB2 LYS 29 HB2 LYS 29 27.436 7.669 14.738 232 HB3 LYS 29 HB1 LYS 29 27.614 9.051 15.806 233 HG2 LYS 29 HG2 LYS 29 25.215 8.508 14.068 234 HG3 LYS 29 HG1 LYS 29 25.333 8.136 15.787 235 HD2 LYS 29 HD2 LYS 29 25.689 10.534 16.251 236 HD3 LYS 29 HD1 LYS 29 25.500 10.875 14.529 237 HE2 LYS 29 HE2 LYS 29 23.234 9.982 14.590 238 HE3 LYS 29 HE1 LYS 29 23.418 9.602 16.300 239 HZ1 LYS 29 HZ1 LYS 29 23.701 11.973 16.737 240 HZ2 LYS 29 HZ2 LYS 29 22.215 11.655 16.001 241 HZ3 LYS 29 HZ3 LYS 29 23.475 12.310 15.095 242 H SER 30 HN SER 30 29.068 7.515 12.870 243 HA SER 30 HA SER 30 31.581 7.999 14.006 244 HB2 SER 30 HB2 SER 30 30.904 6.384 11.534 245 HB3 SER 30 HB1 SER 30 32.349 6.217 12.533 246 HG SER 30 HG SER 30 31.262 4.992 13.819 247 H GLU 31 HN GLU 31 30.151 8.839 10.901 248 HA GLU 31 HA GLU 31 32.403 9.790 9.565 249 HB2 GLU 31 HB2 GLU 31 30.148 9.450 8.560 250 HB3 GLU 31 HB1 GLU 31 29.584 10.877 9.414 251 HG2 GLU 31 HG2 GLU 31 30.049 11.427 7.128 252 HG3 GLU 31 HG1 GLU 31 31.216 12.234 8.175 253 H ARG 32 HN ARG 32 30.198 11.420 11.807 254 HA ARG 32 HA ARG 32 31.398 13.973 11.657 255 HB2 ARG 32 HB2 ARG 32 29.172 13.699 12.595 256 HB3 ARG 32 HB1 ARG 32 29.803 12.687 13.884 257 HG2 ARG 32 HG2 ARG 32 31.076 14.595 14.743 258 HG3 ARG 32 HG1 ARG 32 30.407 15.606 13.461 259 HD2 ARG 32 HD2 ARG 32 28.169 15.263 14.325 260 HD3 ARG 32 HD1 ARG 32 28.787 14.163 15.556 261 HE ARG 32 HE ARG 32 30.158 16.516 15.909 262 HH11 ARG 32 HH11 ARG 32 26.781 15.527 15.992 263 HH12 ARG 32 HH12 ARG 32 26.327 16.747 17.130 264 HH21 ARG 32 HH21 ARG 32 29.543 18.125 17.433 265 HH22 ARG 32 HH22 ARG 32 27.897 18.219 17.953 266 H HIS 33 HN HIS 33 31.780 11.299 13.943 267 HA HIS 33 HA HIS 33 33.658 12.393 15.669 268 HB2 HIS 33 HB2 HIS 33 32.629 10.304 16.215 269 HB3 HIS 33 HB1 HIS 33 33.224 9.550 14.743 270 HD1 HIS 33 HD1 HIS 33 35.748 8.823 14.709 271 HD2 HIS 33 HD2 HIS 33 34.391 10.295 18.368 272 HE1 HIS 33 HE1 HIS 33 37.491 8.167 16.395 273 H ASP 34 HN ASP 34 34.126 10.908 12.552 274 HA ASP 34 HA ASP 34 36.996 10.898 12.827 275 HB2 ASP 34 HB2 ASP 34 35.173 9.895 10.657 276 HB3 ASP 34 HB1 ASP 34 36.914 9.988 10.445 277 H HIS 35 HN HIS 35 34.839 13.248 11.908 278 HA HIS 35 HA HIS 35 35.885 14.408 9.625 279 HB2 HIS 35 HB2 HIS 35 34.811 16.427 10.149 280 HB3 HIS 35 HB1 HIS 35 33.865 15.258 11.049 281 HD2 HIS 35 HD2 HIS 35 34.282 15.405 13.913 282 HE1 HIS 35 HE1 HIS 35 36.121 19.215 13.757 283 HE2 HIS 35 HE2 HIS 35 34.921 17.551 15.197 284 H ASP 36 HN ASP 36 37.248 14.656 12.888 285 HA ASP 36 HA ASP 36 39.209 16.597 12.104 286 HB2 ASP 36 HB2 ASP 36 40.178 16.302 14.318 287 HB3 ASP 36 HB1 ASP 36 38.430 16.431 14.454 288 H LYS 37 HN LYS 37 39.064 13.137 12.353 289 HA LYS 37 HA LYS 37 41.840 12.583 12.059 290 HB2 LYS 37 HB2 LYS 37 40.348 10.877 12.936 291 HB3 LYS 37 HB1 LYS 37 39.416 10.868 11.442 292 HG2 LYS 37 HG2 LYS 37 41.547 10.124 10.297 293 HG3 LYS 37 HG1 LYS 37 42.190 9.845 11.917 294 HD2 LYS 37 HD2 LYS 37 40.376 8.314 12.399 295 HD3 LYS 37 HD1 LYS 37 39.656 8.635 10.820 296 HE2 LYS 37 HE2 LYS 37 41.742 7.763 9.779 297 HE3 LYS 37 HE1 LYS 37 42.301 7.311 11.387 298 HZ1 LYS 37 HZ1 LYS 37 40.303 5.918 11.599 299 HZ2 LYS 37 HZ2 LYS 37 41.305 5.431 10.328 300 HZ3 LYS 37 HZ3 LYS 37 39.888 6.286 10.000 301 H LYS 38 HN LYS 38 39.175 12.876 9.781 302 HA LYS 38 HA LYS 38 40.636 12.120 7.467 303 HB2 LYS 38 HB2 LYS 38 38.155 12.204 7.502 304 HB3 LYS 38 HB1 LYS 38 38.225 13.960 7.632 305 HG2 LYS 38 HG2 LYS 38 39.261 14.101 5.449 306 HG3 LYS 38 HG1 LYS 38 39.277 12.342 5.327 307 HD2 LYS 38 HD2 LYS 38 36.825 12.329 5.453 308 HD3 LYS 38 HD1 LYS 38 36.830 14.092 5.531 309 HE2 LYS 38 HE2 LYS 38 37.877 14.198 3.336 310 HE3 LYS 38 HE1 LYS 38 37.931 12.439 3.262 311 HZ1 LYS 38 HZ1 LYS 38 35.471 14.076 3.418 312 HZ2 LYS 38 HZ2 LYS 38 35.531 12.393 3.312 313 HZ3 LYS 38 HZ3 LYS 38 36.068 13.343 2.016 314 H GLU 39 HN GLU 39 40.210 15.097 9.167 315 HA GLU 39 HA GLU 39 41.403 16.823 7.255 316 HB2 GLU 39 HB2 GLU 39 39.963 17.676 9.049 317 HB3 GLU 39 HB1 GLU 39 41.119 17.134 10.256 318 HG2 GLU 39 HG2 GLU 39 42.721 18.745 9.519 319 HG3 GLU 39 HG1 GLU 39 41.692 19.208 8.164 320 H ALA 40 HN ALA 40 42.658 15.282 10.207 321 HA ALA 40 HA ALA 40 45.162 14.644 9.160 322 HB1 ALA 40 HB1 ALA 40 46.611 16.266 10.286 323 HB2 ALA 40 HB2 ALA 40 45.196 17.132 10.887 324 HB3 ALA 40 HB3 ALA 40 45.530 17.083 9.157 325 H GLU 41 HN GLU 41 46.724 14.875 11.537 326 HA GLU 41 HA GLU 41 45.462 12.871 13.171 327 HB2 GLU 41 HB2 GLU 41 48.092 14.345 13.511 328 HB3 GLU 41 HB1 GLU 41 47.561 12.990 14.490 329 HG2 GLU 41 HG2 GLU 41 47.663 11.498 12.650 330 HG3 GLU 41 HG1 GLU 41 47.906 12.823 11.512 331 H ARG 42 HN ARG 42 46.311 16.271 13.403 332 HA ARG 42 HA ARG 42 44.206 16.909 15.050 333 HB2 ARG 42 HB2 ARG 42 45.639 15.853 16.791 334 HB3 ARG 42 HB1 ARG 42 46.946 16.937 16.343 335 HG2 ARG 42 HG2 ARG 42 45.721 18.837 17.123 336 HG3 ARG 42 HG1 ARG 42 44.288 17.846 17.401 337 HD2 ARG 42 HD2 ARG 42 45.533 18.346 19.477 338 HD3 ARG 42 HD1 ARG 42 45.413 16.622 19.143 339 HE ARG 42 HE ARG 42 47.736 16.786 18.287 340 HH11 ARG 42 HH11 ARG 42 46.570 19.198 20.579 341 HH12 ARG 42 HH12 ARG 42 48.146 19.533 21.206 342 HH21 ARG 42 HH21 ARG 42 49.816 17.246 19.140 343 HH22 ARG 42 HH22 ARG 42 49.979 18.432 20.389 344 H LYS 43 HN LYS 43 43.813 18.798 14.336 345 HA LYS 43 HA LYS 43 45.467 20.203 12.549 346 HB2 LYS 43 HB2 LYS 43 43.803 21.901 12.431 347 HB3 LYS 43 HB1 LYS 43 42.973 20.363 12.580 348 HG2 LYS 43 HG2 LYS 43 42.563 20.791 14.933 349 HG3 LYS 43 HG1 LYS 43 43.457 22.308 14.826 350 HD2 LYS 43 HD2 LYS 43 41.808 23.045 13.086 351 HD3 LYS 43 HD1 LYS 43 40.867 21.598 13.459 352 HE2 LYS 43 HE2 LYS 43 39.941 23.398 14.712 353 HE3 LYS 43 HE1 LYS 43 40.806 22.354 15.837 354 HZ1 LYS 43 HZ1 LYS 43 41.490 24.457 16.449 355 HZ2 LYS 43 HZ2 LYS 43 41.517 25.033 14.870 356 HZ3 LYS 43 HZ3 LYS 43 42.750 24.012 15.398 357 H ALA 44 HN ALA 44 45.469 20.228 15.916 358 HA ALA 44 HA ALA 44 46.246 22.805 16.597 359 HB1 ALA 44 HB1 ALA 44 47.338 20.255 17.804 360 HB2 ALA 44 HB2 ALA 44 45.851 21.070 18.293 361 HB3 ALA 44 HB3 ALA 44 47.406 21.859 18.525 362 H LEU 45 HN LEU 45 48.182 20.213 15.190 363 HA LEU 45 HA LEU 45 50.664 21.594 15.389 364 HB2 LEU 45 HB2 LEU 45 49.842 19.315 13.585 365 HB3 LEU 45 HB1 LEU 45 51.484 19.872 13.827 366 HG LEU 45 HG LEU 45 49.725 18.647 15.952 367 HD11 LEU 45 HD11 LEU 45 52.098 17.531 14.470 368 HD12 LEU 45 HD12 LEU 45 50.419 17.024 14.282 369 HD13 LEU 45 HD13 LEU 45 51.259 16.751 15.809 370 HD21 LEU 45 HD21 LEU 45 51.277 20.263 16.901 371 HD22 LEU 45 HD22 LEU 45 52.616 19.517 16.028 372 HD23 LEU 45 HD23 LEU 45 51.785 18.623 17.300 373 H GLU 46 HN GLU 46 48.144 21.361 12.921 374 HA GLU 46 HA GLU 46 49.642 22.723 10.920 375 HB2 GLU 46 HB2 GLU 46 46.698 22.064 11.190 376 HB3 GLU 46 HB1 GLU 46 47.317 23.041 9.877 377 HG2 GLU 46 HG2 GLU 46 47.012 20.687 9.254 378 HG3 GLU 46 HG1 GLU 46 48.672 21.240 9.071 379 H ASP 47 HN ASP 47 47.262 23.672 13.342 380 HA ASP 47 HA ASP 47 47.004 26.379 12.573 381 HB2 ASP 47 HB2 ASP 47 46.735 25.132 15.322 382 HB3 ASP 47 HB1 ASP 47 46.280 26.783 14.935 383 H LYS 48 HN LYS 48 49.124 24.739 14.797 384 HA LYS 48 HA LYS 48 50.619 26.895 15.749 385 HB2 LYS 48 HB2 LYS 48 50.835 24.543 16.597 386 HB3 LYS 48 HB1 LYS 48 51.739 24.125 15.153 387 HG2 LYS 48 HG2 LYS 48 53.482 25.691 15.791 388 HG3 LYS 48 HG1 LYS 48 52.552 26.149 17.219 389 HD2 LYS 48 HD2 LYS 48 52.634 23.745 17.931 390 HD3 LYS 48 HD1 LYS 48 53.746 23.452 16.596 391 HE2 LYS 48 HE2 LYS 48 54.175 25.345 18.901 392 HE3 LYS 48 HE1 LYS 48 54.970 23.789 18.666 393 HZ1 LYS 48 HZ1 LYS 48 56.413 25.546 17.967 394 HZ2 LYS 48 HZ2 LYS 48 55.234 26.184 16.946 395 HZ3 LYS 48 HZ3 LYS 48 55.923 24.683 16.599 396 H LEU 49 HN LEU 49 51.367 24.833 12.901 397 HA LEU 49 HA LEU 49 52.183 25.295 10.882 398 HB2 LEU 49 HB2 LEU 49 50.558 27.145 11.030 399 HB3 LEU 49 HB1 LEU 49 51.827 28.177 11.648 400 HG LEU 49 HG LEU 49 53.018 28.006 9.521 401 HD11 LEU 49 HD11 LEU 49 50.658 26.335 8.657 402 HD12 LEU 49 HD12 LEU 49 52.318 25.768 8.847 403 HD13 LEU 49 HD13 LEU 49 51.924 26.945 7.595 404 HD21 LEU 49 HD21 LEU 49 51.421 29.776 9.877 405 HD22 LEU 49 HD22 LEU 49 50.120 28.736 9.305 406 HD23 LEU 49 HD23 LEU 49 51.389 29.257 8.190 407 H ALA 50 HN ALA 50 53.880 25.891 13.606 408 HA ALA 50 HA ALA 50 56.289 26.495 12.057 409 HB1 ALA 50 HB1 ALA 50 57.123 27.928 13.843 410 HB2 ALA 50 HB2 ALA 50 55.627 27.684 14.747 411 HB3 ALA 50 HB3 ALA 50 55.596 28.542 13.206 412 H ASP 51 HN ASP 51 58.042 25.312 12.550 413 HA ASP 51 HA ASP 51 58.216 23.868 15.033 414 HB2 ASP 51 HB2 ASP 51 58.365 21.652 14.112 415 HB3 ASP 51 HB1 ASP 51 56.859 22.354 13.543 416 H TYR 52 HN TYR 52 60.311 23.041 15.401 417 HA TYR 52 HA TYR 52 62.305 24.457 13.792 418 HB2 TYR 52 HB2 TYR 52 62.557 23.332 16.593 419 HB3 TYR 52 HB1 TYR 52 63.795 24.248 15.738 420 HD1 TYR 52 HD1 TYR 52 61.094 24.455 17.998 421 HD2 TYR 52 HD2 TYR 52 63.062 26.634 14.927 422 HE1 TYR 52 HE1 TYR 52 60.115 26.537 18.854 423 HE2 TYR 52 HE2 TYR 52 62.092 28.725 15.775 424 HH TYR 52 HH TYR 52 60.091 29.410 17.094 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -3.023 -6.205 18.890 2 H2 GLY 1 HT2 GLY 1 -1.699 -6.857 19.716 3 H3 GLY 1 HT3 GLY 1 -2.806 -7.882 18.953 4 HA2 GLY 1 HA1 GLY 1 -1.002 -5.962 17.606 5 HA3 GLY 1 HA2 GLY 1 -0.787 -7.705 17.669 6 H SER 2 HN SER 2 -2.316 -9.053 16.584 7 HA SER 2 HA SER 2 -3.653 -9.697 14.879 8 HB2 SER 2 HB2 SER 2 -4.704 -6.859 14.957 9 HB3 SER 2 HB1 SER 2 -5.454 -8.208 14.105 10 HG SER 2 HG SER 2 -6.230 -8.932 15.925 11 H VAL 3 HN VAL 3 -1.060 -8.034 14.561 12 HA VAL 3 HA VAL 3 -1.231 -6.983 11.880 13 HB VAL 3 HB VAL 3 1.297 -7.586 13.430 14 HG11 VAL 3 HG11 VAL 3 2.178 -5.691 12.124 15 HG12 VAL 3 HG12 VAL 3 0.640 -5.585 11.269 16 HG13 VAL 3 HG13 VAL 3 1.645 -7.026 11.102 17 HG21 VAL 3 HG21 VAL 3 -0.397 -5.094 13.562 18 HG22 VAL 3 HG22 VAL 3 1.182 -5.314 14.316 19 HG23 VAL 3 HG23 VAL 3 -0.195 -6.274 14.856 20 H GLU 4 HN GLU 4 -2.177 -9.345 11.422 21 HA GLU 4 HA GLU 4 -0.066 -10.872 10.169 22 HB2 GLU 4 HB2 GLU 4 -1.104 -13.027 11.107 23 HB3 GLU 4 HB1 GLU 4 -0.086 -12.083 12.186 24 HG2 GLU 4 HG2 GLU 4 -2.049 -11.144 13.259 25 HG3 GLU 4 HG1 GLU 4 -3.097 -12.009 12.138 26 H LYS 5 HN LYS 5 -3.540 -10.836 10.894 27 HA LYS 5 HA LYS 5 -4.289 -12.097 8.460 28 HB2 LYS 5 HB2 LYS 5 -5.686 -12.083 10.511 29 HB3 LYS 5 HB1 LYS 5 -5.923 -10.356 10.314 30 HG2 LYS 5 HG2 LYS 5 -7.076 -10.745 8.206 31 HG3 LYS 5 HG1 LYS 5 -6.827 -12.482 8.390 32 HD2 LYS 5 HD2 LYS 5 -8.151 -12.479 10.425 33 HD3 LYS 5 HD1 LYS 5 -8.355 -10.731 10.312 34 HE2 LYS 5 HE2 LYS 5 -9.357 -12.785 8.346 35 HE3 LYS 5 HE1 LYS 5 -10.336 -11.883 9.504 36 HZ1 LYS 5 HZ1 LYS 5 -8.811 -10.722 7.229 37 HZ2 LYS 5 HZ2 LYS 5 -9.699 -9.833 8.356 38 HZ3 LYS 5 HZ3 LYS 5 -10.488 -10.909 7.320 39 H LEU 6 HN LEU 6 -3.712 -8.876 9.502 40 HA LEU 6 HA LEU 6 -4.803 -7.687 7.118 41 HB2 LEU 6 HB2 LEU 6 -3.180 -6.371 9.326 42 HB3 LEU 6 HB1 LEU 6 -4.031 -5.543 8.038 43 HG LEU 6 HG LEU 6 -5.317 -7.195 10.208 44 HD11 LEU 6 HD11 LEU 6 -4.323 -5.162 11.092 45 HD12 LEU 6 HD12 LEU 6 -6.084 -5.051 11.091 46 HD13 LEU 6 HD13 LEU 6 -5.147 -4.209 9.858 47 HD21 LEU 6 HD21 LEU 6 -6.518 -5.444 8.067 48 HD22 LEU 6 HD22 LEU 6 -7.405 -6.202 9.387 49 HD23 LEU 6 HD23 LEU 6 -6.626 -7.201 8.161 50 H THR 7 HN THR 7 -1.438 -7.396 8.489 51 HA THR 7 HA THR 7 -0.346 -7.986 5.961 52 HB THR 7 HB THR 7 1.060 -5.838 6.134 53 HG1 THR 7 HG1 THR 7 0.166 -5.286 8.242 54 HG21 THR 7 HG21 THR 7 -1.855 -5.599 5.380 55 HG22 THR 7 HG22 THR 7 -0.572 -6.226 4.348 56 HG23 THR 7 HG23 THR 7 -0.556 -4.535 4.842 57 H ALA 8 HN ALA 8 0.927 -9.632 7.118 58 HA ALA 8 HA ALA 8 2.302 -8.924 9.547 59 HB1 ALA 8 HB1 ALA 8 2.707 -11.371 7.801 60 HB2 ALA 8 HB2 ALA 8 1.553 -11.261 9.131 61 HB3 ALA 8 HB3 ALA 8 3.279 -11.149 9.451 62 H ASP 9 HN ASP 9 2.996 -9.259 6.191 63 HA ASP 9 HA ASP 9 5.813 -9.106 6.263 64 HB2 ASP 9 HB2 ASP 9 5.750 -8.656 3.918 65 HB3 ASP 9 HB1 ASP 9 4.453 -9.791 4.261 66 H ALA 10 HN ALA 10 3.374 -6.675 6.141 67 HA ALA 10 HA ALA 10 4.939 -4.398 5.694 68 HB1 ALA 10 HB1 ALA 10 2.391 -4.523 7.317 69 HB2 ALA 10 HB2 ALA 10 2.495 -4.317 5.563 70 HB3 ALA 10 HB3 ALA 10 3.122 -3.073 6.636 71 H GLU 11 HN GLU 11 4.545 -6.270 8.607 72 HA GLU 11 HA GLU 11 5.672 -4.175 10.271 73 HB2 GLU 11 HB2 GLU 11 3.927 -5.660 11.198 74 HB3 GLU 11 HB1 GLU 11 4.961 -7.056 10.926 75 HG2 GLU 11 HG2 GLU 11 6.551 -6.235 12.539 76 HG3 GLU 11 HG1 GLU 11 5.605 -4.762 12.759 77 H LEU 12 HN LEU 12 6.624 -6.810 8.380 78 HA LEU 12 HA LEU 12 9.123 -7.363 9.710 79 HB2 LEU 12 HB2 LEU 12 8.468 -8.058 6.852 80 HB3 LEU 12 HB1 LEU 12 9.596 -8.858 7.922 81 HG LEU 12 HG LEU 12 6.591 -9.035 7.939 82 HD11 LEU 12 HD11 LEU 12 8.734 -11.098 7.658 83 HD12 LEU 12 HD12 LEU 12 7.712 -10.446 6.374 84 HD13 LEU 12 HD13 LEU 12 6.994 -11.382 7.682 85 HD21 LEU 12 HD21 LEU 12 6.778 -10.451 9.905 86 HD22 LEU 12 HD22 LEU 12 7.267 -8.791 10.229 87 HD23 LEU 12 HD23 LEU 12 8.495 -10.052 10.035 88 H GLN 13 HN GLN 13 8.045 -5.702 6.794 89 HA GLN 13 HA GLN 13 10.581 -4.720 6.023 90 HB2 GLN 13 HB2 GLN 13 7.849 -3.552 5.450 91 HB3 GLN 13 HB1 GLN 13 9.331 -3.181 4.584 92 HG2 GLN 13 HG2 GLN 13 7.907 -5.835 4.649 93 HG3 GLN 13 HG1 GLN 13 7.963 -4.702 3.300 94 HE21 GLN 13 HE21 GLN 13 9.704 -7.081 5.120 95 HE22 GLN 13 HE22 GLN 13 11.030 -7.248 4.024 96 H ARG 14 HN ARG 14 8.113 -3.635 8.203 97 HA ARG 14 HA ARG 14 9.012 -1.004 8.652 98 HB2 ARG 14 HB2 ARG 14 6.805 -1.848 9.426 99 HB3 ARG 14 HB1 ARG 14 7.623 -2.848 10.619 100 HG2 ARG 14 HG2 ARG 14 8.380 -0.914 11.804 101 HG3 ARG 14 HG1 ARG 14 7.771 0.154 10.534 102 HD2 ARG 14 HD2 ARG 14 6.094 -1.672 12.249 103 HD3 ARG 14 HD1 ARG 14 6.251 0.071 12.459 104 HE ARG 14 HE ARG 14 5.339 0.141 10.066 105 HH11 ARG 14 HH11 ARG 14 4.395 -2.240 12.467 106 HH12 ARG 14 HH12 ARG 14 2.829 -2.497 11.781 107 HH21 ARG 14 HH21 ARG 14 3.268 -0.221 9.135 108 HH22 ARG 14 HH22 ARG 14 2.186 -1.351 9.873 109 H LEU 15 HN LEU 15 9.914 -4.097 10.183 110 HA LEU 15 HA LEU 15 11.689 -2.934 12.068 111 HB2 LEU 15 HB2 LEU 15 11.646 -5.739 10.945 112 HB3 LEU 15 HB1 LEU 15 12.522 -5.222 12.370 113 HG LEU 15 HG LEU 15 9.529 -5.345 12.055 114 HD11 LEU 15 HD11 LEU 15 9.650 -7.090 13.743 115 HD12 LEU 15 HD12 LEU 15 11.408 -6.961 13.760 116 HD13 LEU 15 HD13 LEU 15 10.580 -7.524 12.308 117 HD21 LEU 15 HD21 LEU 15 10.120 -3.454 13.453 118 HD22 LEU 15 HD22 LEU 15 11.201 -4.467 14.408 119 HD23 LEU 15 HD23 LEU 15 9.461 -4.751 14.449 120 H LYS 16 HN LYS 16 11.920 -4.069 8.822 121 HA LYS 16 HA LYS 16 14.765 -4.058 8.610 122 HB2 LYS 16 HB2 LYS 16 13.450 -5.229 6.912 123 HB3 LYS 16 HB1 LYS 16 12.687 -3.722 6.422 124 HG2 LYS 16 HG2 LYS 16 14.749 -2.884 5.549 125 HG3 LYS 16 HG1 LYS 16 15.638 -4.256 6.207 126 HD2 LYS 16 HD2 LYS 16 13.447 -4.509 4.150 127 HD3 LYS 16 HD1 LYS 16 15.160 -4.381 3.746 128 HE2 LYS 16 HE2 LYS 16 13.892 -6.542 5.433 129 HE3 LYS 16 HE1 LYS 16 14.413 -6.711 3.760 130 HZ1 LYS 16 HZ1 LYS 16 16.056 -7.602 5.281 131 HZ2 LYS 16 HZ2 LYS 16 16.182 -6.116 6.074 132 HZ3 LYS 16 HZ3 LYS 16 16.687 -6.262 4.468 133 H ASN 17 HN ASN 17 12.281 -1.657 7.936 134 HA ASN 17 HA ASN 17 14.003 0.414 7.071 135 HB2 ASN 17 HB2 ASN 17 11.240 0.475 8.305 136 HB3 ASN 17 HB1 ASN 17 12.113 1.946 7.911 137 HD21 ASN 17 HD21 ASN 17 10.524 2.511 6.450 138 HD22 ASN 17 HD22 ASN 17 10.399 1.759 4.895 139 H GLU 18 HN GLU 18 12.786 -0.504 10.239 140 HA GLU 18 HA GLU 18 13.840 1.605 11.735 141 HB2 GLU 18 HB2 GLU 18 12.226 -0.269 12.446 142 HB3 GLU 18 HB1 GLU 18 13.663 -1.233 12.737 143 HG2 GLU 18 HG2 GLU 18 12.999 -0.297 14.805 144 HG3 GLU 18 HG1 GLU 18 14.451 0.558 14.283 145 H ARG 19 HN ARG 19 15.233 -1.538 10.865 146 HA ARG 19 HA ARG 19 17.721 -1.116 12.159 147 HB2 ARG 19 HB2 ARG 19 16.957 -2.982 9.905 148 HB3 ARG 19 HB1 ARG 19 18.548 -2.951 10.639 149 HG2 ARG 19 HG2 ARG 19 17.558 -3.508 12.806 150 HG3 ARG 19 HG1 ARG 19 15.966 -3.578 12.046 151 HD2 ARG 19 HD2 ARG 19 16.621 -5.422 10.681 152 HD3 ARG 19 HD1 ARG 19 18.305 -5.264 11.182 153 HE ARG 19 HE ARG 19 16.761 -5.668 13.463 154 HH11 ARG 19 HH11 ARG 19 17.653 -7.442 10.572 155 HH12 ARG 19 HH12 ARG 19 17.623 -8.986 11.347 156 HH21 ARG 19 HH21 ARG 19 16.720 -7.713 14.500 157 HH22 ARG 19 HH22 ARG 19 17.075 -9.143 13.597 158 H HIS 20 HN HIS 20 16.678 -0.724 8.781 159 HA HIS 20 HA HIS 20 19.074 0.086 7.653 160 HB2 HIS 20 HB2 HIS 20 16.929 -0.417 6.409 161 HB3 HIS 20 HB1 HIS 20 16.309 1.144 6.920 162 HD1 HIS 20 HD1 HIS 20 17.888 -0.472 4.181 163 HD2 HIS 20 HD2 HIS 20 18.117 3.324 5.853 164 HE1 HIS 20 HE1 HIS 20 18.813 0.995 2.374 165 H GLU 21 HN GLU 21 16.557 2.103 9.143 166 HA GLU 21 HA GLU 21 17.817 4.581 8.794 167 HB2 GLU 21 HB2 GLU 21 15.412 4.177 9.537 168 HB3 GLU 21 HB1 GLU 21 16.051 3.891 11.152 169 HG2 GLU 21 HG2 GLU 21 15.234 6.136 10.966 170 HG3 GLU 21 HG1 GLU 21 16.988 6.155 11.149 171 H GLU 22 HN GLU 22 18.053 2.268 11.499 172 HA GLU 22 HA GLU 22 19.734 3.939 13.096 173 HB2 GLU 22 HB2 GLU 22 18.275 2.145 14.042 174 HB3 GLU 22 HB1 GLU 22 19.287 0.936 13.264 175 HG2 GLU 22 HG2 GLU 22 19.812 1.108 15.604 176 HG3 GLU 22 HG1 GLU 22 21.176 1.654 14.633 177 H ALA 23 HN ALA 23 20.255 1.956 10.407 178 HA ALA 23 HA ALA 23 22.999 1.246 11.022 179 HB1 ALA 23 HB1 ALA 23 21.607 -0.275 9.651 180 HB2 ALA 23 HB2 ALA 23 23.075 0.227 8.822 181 HB3 ALA 23 HB3 ALA 23 21.534 0.955 8.387 182 H GLU 24 HN GLU 24 21.319 3.440 8.818 183 HA GLU 24 HA GLU 24 23.703 4.583 7.788 184 HB2 GLU 24 HB2 GLU 24 20.916 5.741 7.869 185 HB3 GLU 24 HB1 GLU 24 22.248 6.345 6.894 186 HG2 GLU 24 HG2 GLU 24 22.321 4.072 5.807 187 HG3 GLU 24 HG1 GLU 24 20.794 3.736 6.623 188 H LEU 25 HN LEU 25 21.496 5.462 10.384 189 HA LEU 25 HA LEU 25 22.621 7.871 11.175 190 HB2 LEU 25 HB2 LEU 25 20.545 6.941 12.104 191 HB3 LEU 25 HB1 LEU 25 21.467 5.708 12.936 192 HG LEU 25 HG LEU 25 22.558 7.456 14.293 193 HD11 LEU 25 HD11 LEU 25 22.411 9.321 12.748 194 HD12 LEU 25 HD12 LEU 25 21.645 9.732 14.282 195 HD13 LEU 25 HD13 LEU 25 20.652 9.319 12.883 196 HD21 LEU 25 HD21 LEU 25 20.610 7.993 15.667 197 HD22 LEU 25 HD22 LEU 25 20.578 6.315 15.128 198 HD23 LEU 25 HD23 LEU 25 19.545 7.512 14.347 199 H GLU 26 HN GLU 26 23.652 4.576 11.886 200 HA GLU 26 HA GLU 26 25.651 5.198 13.766 201 HB2 GLU 26 HB2 GLU 26 24.749 2.941 13.478 202 HB3 GLU 26 HB1 GLU 26 25.416 2.862 11.855 203 HG2 GLU 26 HG2 GLU 26 27.414 3.437 13.897 204 HG3 GLU 26 HG1 GLU 26 26.589 1.897 14.133 205 H ARG 27 HN ARG 27 25.726 4.847 10.248 206 HA ARG 27 HA ARG 27 28.522 5.298 9.983 207 HB2 ARG 27 HB2 ARG 27 26.324 5.700 7.944 208 HB3 ARG 27 HB1 ARG 27 28.044 5.643 7.596 209 HG2 ARG 27 HG2 ARG 27 26.357 3.385 8.657 210 HG3 ARG 27 HG1 ARG 27 27.008 3.544 7.025 211 HD2 ARG 27 HD2 ARG 27 29.299 3.539 8.025 212 HD3 ARG 27 HD1 ARG 27 28.560 3.174 9.583 213 HE ARG 27 HE ARG 27 27.897 1.381 7.406 214 HH11 ARG 27 HH11 ARG 27 29.903 1.967 10.226 215 HH12 ARG 27 HH12 ARG 27 30.413 0.321 10.370 216 HH21 ARG 27 HH21 ARG 27 28.552 -0.813 7.618 217 HH22 ARG 27 HH22 ARG 27 29.627 -1.269 8.896 218 H LEU 28 HN LEU 28 25.704 7.351 10.010 219 HA LEU 28 HA LEU 28 26.881 9.763 9.147 220 HB2 LEU 28 HB2 LEU 28 24.436 9.468 9.362 221 HB3 LEU 28 HB1 LEU 28 24.593 9.388 11.105 222 HG LEU 28 HG LEU 28 25.419 11.730 11.089 223 HD11 LEU 28 HD11 LEU 28 24.646 11.620 8.178 224 HD12 LEU 28 HD12 LEU 28 26.277 11.819 8.821 225 HD13 LEU 28 HD13 LEU 28 25.069 13.076 9.078 226 HD21 LEU 28 HD21 LEU 28 23.091 11.225 11.567 227 HD22 LEU 28 HD22 LEU 28 22.715 11.255 9.844 228 HD23 LEU 28 HD23 LEU 28 23.225 12.732 10.659 229 H LYS 29 HN LYS 29 26.477 8.404 12.371 230 HA LYS 29 HA LYS 29 27.820 10.466 13.769 231 HB2 LYS 29 HB2 LYS 29 27.472 7.548 14.502 232 HB3 LYS 29 HB1 LYS 29 28.069 8.789 15.595 233 HG2 LYS 29 HG2 LYS 29 25.968 9.964 15.487 234 HG3 LYS 29 HG1 LYS 29 25.363 8.831 14.279 235 HD2 LYS 29 HD2 LYS 29 25.472 7.018 15.893 236 HD3 LYS 29 HD1 LYS 29 26.159 8.109 17.099 237 HE2 LYS 29 HE2 LYS 29 24.133 9.432 17.102 238 HE3 LYS 29 HE1 LYS 29 23.450 8.442 15.817 239 HZ1 LYS 29 HZ1 LYS 29 23.452 6.552 17.312 240 HZ2 LYS 29 HZ2 LYS 29 22.585 7.831 17.988 241 HZ3 LYS 29 HZ3 LYS 29 24.141 7.485 18.540 242 H SER 30 HN SER 30 28.973 7.277 12.660 243 HA SER 30 HA SER 30 31.595 7.325 13.186 244 HB2 SER 30 HB2 SER 30 30.530 5.507 11.907 245 HB3 SER 30 HB1 SER 30 30.425 6.557 10.493 246 HG SER 30 HG SER 30 32.927 6.648 11.057 247 H GLU 31 HN GLU 31 30.188 9.040 10.379 248 HA GLU 31 HA GLU 31 32.516 10.040 9.271 249 HB2 GLU 31 HB2 GLU 31 29.778 11.293 9.405 250 HB3 GLU 31 HB1 GLU 31 31.087 11.930 8.421 251 HG2 GLU 31 HG2 GLU 31 29.827 9.210 8.164 252 HG3 GLU 31 HG1 GLU 31 29.580 10.587 7.090 253 H ARG 32 HN ARG 32 30.535 11.553 11.793 254 HA ARG 32 HA ARG 32 32.102 13.863 12.132 255 HB2 ARG 32 HB2 ARG 32 29.827 13.638 13.032 256 HB3 ARG 32 HB1 ARG 32 30.386 12.420 14.163 257 HG2 ARG 32 HG2 ARG 32 30.102 14.528 15.299 258 HG3 ARG 32 HG1 ARG 32 31.814 14.109 15.248 259 HD2 ARG 32 HD2 ARG 32 32.178 15.655 13.421 260 HD3 ARG 32 HD1 ARG 32 30.451 15.997 13.326 261 HE ARG 32 HE ARG 32 31.235 16.605 15.916 262 HH11 ARG 32 HH11 ARG 32 32.026 17.720 12.688 263 HH12 ARG 32 HH12 ARG 32 32.340 19.346 13.184 264 HH21 ARG 32 HH21 ARG 32 31.658 18.764 16.581 265 HH22 ARG 32 HH22 ARG 32 32.138 19.943 15.408 266 H HIS 33 HN HIS 33 32.406 10.640 13.468 267 HA HIS 33 HA HIS 33 34.435 11.327 15.381 268 HB2 HIS 33 HB2 HIS 33 33.415 8.697 14.327 269 HB3 HIS 33 HB1 HIS 33 34.767 8.794 15.448 270 HD1 HIS 33 HD1 HIS 33 31.054 9.415 15.244 271 HD2 HIS 33 HD2 HIS 33 34.086 9.290 18.085 272 HE1 HIS 33 HE1 HIS 33 29.892 9.430 17.466 273 H ASP 34 HN ASP 34 34.400 9.858 12.178 274 HA ASP 34 HA ASP 34 37.195 9.406 12.011 275 HB2 ASP 34 HB2 ASP 34 35.072 9.588 9.866 276 HB3 ASP 34 HB1 ASP 34 36.765 9.300 9.499 277 H HIS 35 HN HIS 35 35.549 12.220 12.107 278 HA HIS 35 HA HIS 35 37.345 13.718 10.332 279 HB2 HIS 35 HB2 HIS 35 34.860 14.241 10.387 280 HB3 HIS 35 HB1 HIS 35 35.080 14.819 12.034 281 HD2 HIS 35 HD2 HIS 35 35.796 17.447 12.208 282 HE1 HIS 35 HE1 HIS 35 36.769 18.035 8.121 283 HE2 HIS 35 HE2 HIS 35 36.171 19.145 10.290 284 H ASP 36 HN ASP 36 37.040 12.705 13.494 285 HA ASP 36 HA ASP 36 38.756 14.816 14.602 286 HB2 ASP 36 HB2 ASP 36 36.886 14.300 16.010 287 HB3 ASP 36 HB1 ASP 36 37.193 12.570 15.910 288 H LYS 37 HN LYS 37 38.810 11.609 13.447 289 HA LYS 37 HA LYS 37 41.112 10.705 14.880 290 HB2 LYS 37 HB2 LYS 37 39.882 9.545 12.380 291 HB3 LYS 37 HB1 LYS 37 40.966 8.728 13.495 292 HG2 LYS 37 HG2 LYS 37 38.152 9.633 14.086 293 HG3 LYS 37 HG1 LYS 37 38.671 7.978 13.772 294 HD2 LYS 37 HD2 LYS 37 40.080 8.053 15.780 295 HD3 LYS 37 HD1 LYS 37 39.547 9.708 16.085 296 HE2 LYS 37 HE2 LYS 37 38.287 8.180 17.473 297 HE3 LYS 37 HE1 LYS 37 37.226 8.896 16.265 298 HZ1 LYS 37 HZ1 LYS 37 38.435 6.187 16.124 299 HZ2 LYS 37 HZ2 LYS 37 37.423 6.866 14.955 300 HZ3 LYS 37 HZ3 LYS 37 36.823 6.531 16.495 301 H LYS 38 HN LYS 38 40.469 12.467 12.005 302 HA LYS 38 HA LYS 38 43.026 11.958 10.804 303 HB2 LYS 38 HB2 LYS 38 40.972 14.081 10.131 304 HB3 LYS 38 HB1 LYS 38 42.392 13.679 9.178 305 HG2 LYS 38 HG2 LYS 38 40.070 11.848 9.724 306 HG3 LYS 38 HG1 LYS 38 40.391 12.709 8.218 307 HD2 LYS 38 HD2 LYS 38 42.568 11.499 8.073 308 HD3 LYS 38 HD1 LYS 38 42.076 10.549 9.477 309 HE2 LYS 38 HE2 LYS 38 40.693 10.676 6.804 310 HE3 LYS 38 HE1 LYS 38 41.611 9.318 7.447 311 HZ1 LYS 38 HZ1 LYS 38 39.070 10.396 8.539 312 HZ2 LYS 38 HZ2 LYS 38 39.971 9.150 9.238 313 HZ3 LYS 38 HZ3 LYS 38 39.272 8.931 7.720 314 H GLU 39 HN GLU 39 43.994 12.500 12.906 315 HA GLU 39 HA GLU 39 44.401 15.355 13.366 316 HB2 GLU 39 HB2 GLU 39 45.539 14.763 15.392 317 HB3 GLU 39 HB1 GLU 39 44.099 13.766 15.286 318 HG2 GLU 39 HG2 GLU 39 45.478 11.866 14.533 319 HG3 GLU 39 HG1 GLU 39 46.909 12.888 14.635 320 H ALA 40 HN ALA 40 46.850 15.858 14.028 321 HA ALA 40 HA ALA 40 48.982 16.238 13.376 322 HB1 ALA 40 HB1 ALA 40 48.781 13.521 12.096 323 HB2 ALA 40 HB2 ALA 40 49.293 13.866 13.748 324 HB3 ALA 40 HB3 ALA 40 50.270 14.419 12.390 325 H GLU 41 HN GLU 41 48.359 18.078 11.859 326 HA GLU 41 HA GLU 41 48.389 19.172 9.917 327 HB2 GLU 41 HB2 GLU 41 49.635 16.648 8.805 328 HB3 GLU 41 HB1 GLU 41 49.512 18.170 7.938 329 HG2 GLU 41 HG2 GLU 41 51.079 17.654 10.450 330 HG3 GLU 41 HG1 GLU 41 51.729 17.884 8.829 331 H ARG 42 HN ARG 42 46.125 19.202 9.976 332 HA ARG 42 HA ARG 42 44.841 18.187 7.748 333 HB2 ARG 42 HB2 ARG 42 45.025 16.141 9.286 334 HB3 ARG 42 HB1 ARG 42 43.920 16.992 10.353 335 HG2 ARG 42 HG2 ARG 42 42.605 15.530 9.083 336 HG3 ARG 42 HG1 ARG 42 42.339 17.132 8.404 337 HD2 ARG 42 HD2 ARG 42 43.721 16.686 6.546 338 HD3 ARG 42 HD1 ARG 42 44.379 15.230 7.291 339 HE ARG 42 HE ARG 42 41.533 15.387 6.576 340 HH11 ARG 42 HH11 ARG 42 44.698 13.909 6.166 341 HH12 ARG 42 HH12 ARG 42 44.079 12.535 5.316 342 HH21 ARG 42 HH21 ARG 42 40.730 13.572 5.432 343 HH22 ARG 42 HH22 ARG 42 41.823 12.338 4.896 344 H LYS 43 HN LYS 43 43.441 19.641 7.415 345 HA LYS 43 HA LYS 43 42.756 21.790 9.073 346 HB2 LYS 43 HB2 LYS 43 42.384 21.702 6.565 347 HB3 LYS 43 HB1 LYS 43 40.949 20.734 6.877 348 HG2 LYS 43 HG2 LYS 43 40.034 22.606 8.202 349 HG3 LYS 43 HG1 LYS 43 41.446 23.565 7.763 350 HD2 LYS 43 HD2 LYS 43 40.862 23.283 5.382 351 HD3 LYS 43 HD1 LYS 43 39.412 22.399 5.862 352 HE2 LYS 43 HE2 LYS 43 38.836 24.698 5.380 353 HE3 LYS 43 HE1 LYS 43 38.648 24.390 7.105 354 HZ1 LYS 43 HZ1 LYS 43 40.986 25.714 5.843 355 HZ2 LYS 43 HZ2 LYS 43 40.776 25.455 7.498 356 HZ3 LYS 43 HZ3 LYS 43 39.745 26.506 6.673 357 H ALA 44 HN ALA 44 41.462 18.614 8.965 358 HA ALA 44 HA ALA 44 39.004 18.847 10.224 359 HB1 ALA 44 HB1 ALA 44 39.854 16.699 9.392 360 HB2 ALA 44 HB2 ALA 44 39.327 16.572 11.066 361 HB3 ALA 44 HB3 ALA 44 41.045 16.663 10.695 362 H LEU 45 HN LEU 45 42.238 19.089 11.651 363 HA LEU 45 HA LEU 45 41.663 18.957 14.351 364 HB2 LEU 45 HB2 LEU 45 43.697 20.653 12.912 365 HB3 LEU 45 HB1 LEU 45 43.678 20.386 14.642 366 HG LEU 45 HG LEU 45 44.042 18.219 12.571 367 HD11 LEU 45 HD11 LEU 45 46.055 19.558 14.372 368 HD12 LEU 45 HD12 LEU 45 45.941 19.745 12.622 369 HD13 LEU 45 HD13 LEU 45 46.365 18.179 13.316 370 HD21 LEU 45 HD21 LEU 45 44.742 16.888 14.551 371 HD22 LEU 45 HD22 LEU 45 43.036 17.333 14.556 372 HD23 LEU 45 HD23 LEU 45 44.179 18.205 15.580 373 H GLU 46 HN GLU 46 40.526 21.231 12.183 374 HA GLU 46 HA GLU 46 40.510 23.523 13.967 375 HB2 GLU 46 HB2 GLU 46 40.580 23.672 11.409 376 HB3 GLU 46 HB1 GLU 46 38.889 23.187 11.428 377 HG2 GLU 46 HG2 GLU 46 38.931 25.527 11.217 378 HG3 GLU 46 HG1 GLU 46 38.452 25.185 12.880 379 H ASP 47 HN ASP 47 38.419 20.895 13.015 380 HA ASP 47 HA ASP 47 36.153 22.025 14.512 381 HB2 ASP 47 HB2 ASP 47 36.270 19.679 12.603 382 HB3 ASP 47 HB1 ASP 47 34.841 20.139 13.514 383 H LYS 48 HN LYS 48 38.115 19.133 14.178 384 HA LYS 48 HA LYS 48 38.458 17.289 15.473 385 HB2 LYS 48 HB2 LYS 48 39.155 19.451 16.929 386 HB3 LYS 48 HB1 LYS 48 37.928 18.792 17.997 387 HG2 LYS 48 HG2 LYS 48 40.097 17.988 18.661 388 HG3 LYS 48 HG1 LYS 48 39.158 16.641 18.015 389 HD2 LYS 48 HD2 LYS 48 40.335 16.825 15.879 390 HD3 LYS 48 HD1 LYS 48 41.239 18.213 16.484 391 HE2 LYS 48 HE2 LYS 48 42.645 16.282 16.627 392 HE3 LYS 48 HE1 LYS 48 42.180 16.741 18.261 393 HZ1 LYS 48 HZ1 LYS 48 41.235 14.443 16.655 394 HZ2 LYS 48 HZ2 LYS 48 40.335 15.009 17.960 395 HZ3 LYS 48 HZ3 LYS 48 41.915 14.442 18.208 396 H LEU 49 HN LEU 49 37.286 16.426 17.984 397 HA LEU 49 HA LEU 49 34.527 15.992 17.089 398 HB2 LEU 49 HB2 LEU 49 36.022 14.043 17.707 399 HB3 LEU 49 HB1 LEU 49 35.983 14.618 19.360 400 HG LEU 49 HG LEU 49 33.532 14.276 19.386 401 HD11 LEU 49 HD11 LEU 49 33.050 14.488 17.032 402 HD12 LEU 49 HD12 LEU 49 32.518 12.908 17.609 403 HD13 LEU 49 HD13 LEU 49 34.010 13.053 16.677 404 HD21 LEU 49 HD21 LEU 49 33.612 11.858 19.545 405 HD22 LEU 49 HD22 LEU 49 35.073 12.569 20.235 406 HD23 LEU 49 HD23 LEU 49 35.120 11.832 18.634 407 H ALA 50 HN ALA 50 35.644 18.436 18.520 408 HA ALA 50 HA ALA 50 33.623 18.483 20.651 409 HB1 ALA 50 HB1 ALA 50 35.828 18.171 21.677 410 HB2 ALA 50 HB2 ALA 50 35.112 19.722 22.111 411 HB3 ALA 50 HB3 ALA 50 36.392 19.649 20.899 412 H ASP 51 HN ASP 51 35.711 20.404 18.534 413 HA ASP 51 HA ASP 51 35.454 22.379 17.471 414 HB2 ASP 51 HB2 ASP 51 33.216 21.536 16.807 415 HB3 ASP 51 HB1 ASP 51 32.539 22.206 18.286 416 H TYR 52 HN TYR 52 36.163 24.314 18.169 417 HA TYR 52 HA TYR 52 35.223 25.230 20.768 418 HB2 TYR 52 HB2 TYR 52 37.381 23.902 20.989 419 HB3 TYR 52 HB1 TYR 52 38.160 25.177 20.058 420 HD1 TYR 52 HD1 TYR 52 36.134 24.634 23.135 421 HD2 TYR 52 HD2 TYR 52 39.045 27.026 21.166 422 HE1 TYR 52 HE1 TYR 52 36.474 25.908 25.205 423 HE2 TYR 52 HE2 TYR 52 39.396 28.309 23.231 424 HH TYR 52 HH TYR 52 38.279 27.294 26.241 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -4.509 -18.271 10.266 2 H2 GLY 1 HT2 GLY 1 -5.201 -16.854 10.879 3 H3 GLY 1 HT3 GLY 1 -5.153 -18.245 11.831 4 HA2 GLY 1 HA1 GLY 1 -2.746 -18.152 11.904 5 HA3 GLY 1 HA2 GLY 1 -2.796 -16.717 10.890 6 H SER 2 HN SER 2 -2.001 -17.408 13.793 7 HA SER 2 HA SER 2 -3.704 -15.574 15.259 8 HB2 SER 2 HB2 SER 2 -1.311 -17.175 16.174 9 HB3 SER 2 HB1 SER 2 -2.433 -16.298 17.216 10 HG SER 2 HG SER 2 -3.757 -17.906 17.096 11 H VAL 3 HN VAL 3 -0.332 -15.785 14.158 12 HA VAL 3 HA VAL 3 0.287 -13.208 15.348 13 HB VAL 3 HB VAL 3 1.936 -15.133 15.249 14 HG11 VAL 3 HG11 VAL 3 1.539 -15.866 12.977 15 HG12 VAL 3 HG12 VAL 3 3.233 -15.432 13.200 16 HG13 VAL 3 HG13 VAL 3 2.145 -14.332 12.355 17 HG21 VAL 3 HG21 VAL 3 3.884 -13.695 14.800 18 HG22 VAL 3 HG22 VAL 3 2.673 -12.885 15.794 19 HG23 VAL 3 HG23 VAL 3 2.813 -12.492 14.081 20 H GLU 4 HN GLU 4 -1.127 -14.255 12.546 21 HA GLU 4 HA GLU 4 -0.031 -12.448 10.643 22 HB2 GLU 4 HB2 GLU 4 -2.681 -13.925 10.628 23 HB3 GLU 4 HB1 GLU 4 -2.052 -12.983 9.282 24 HG2 GLU 4 HG2 GLU 4 -0.736 -15.388 10.513 25 HG3 GLU 4 HG1 GLU 4 -1.674 -15.375 9.019 26 H LYS 5 HN LYS 5 -3.387 -12.264 11.980 27 HA LYS 5 HA LYS 5 -4.597 -10.498 12.647 28 HB2 LYS 5 HB2 LYS 5 -1.925 -9.087 12.873 29 HB3 LYS 5 HB1 LYS 5 -3.450 -8.475 13.493 30 HG2 LYS 5 HG2 LYS 5 -3.592 -10.315 15.059 31 HG3 LYS 5 HG1 LYS 5 -2.116 -11.020 14.394 32 HD2 LYS 5 HD2 LYS 5 -0.871 -9.010 15.072 33 HD3 LYS 5 HD1 LYS 5 -2.346 -8.343 15.770 34 HE2 LYS 5 HE2 LYS 5 -1.084 -10.948 16.611 35 HE3 LYS 5 HE1 LYS 5 -0.825 -9.410 17.428 36 HZ1 LYS 5 HZ1 LYS 5 -2.539 -10.798 18.478 37 HZ2 LYS 5 HZ2 LYS 5 -3.481 -10.692 17.078 38 HZ3 LYS 5 HZ3 LYS 5 -3.138 -9.301 17.970 39 H LEU 6 HN LEU 6 -3.675 -11.043 9.863 40 HA LEU 6 HA LEU 6 -4.313 -10.321 7.841 41 HB2 LEU 6 HB2 LEU 6 -5.085 -7.760 9.228 42 HB3 LEU 6 HB1 LEU 6 -5.308 -8.056 7.517 43 HG LEU 6 HG LEU 6 -6.592 -9.676 9.712 44 HD11 LEU 6 HD11 LEU 6 -8.646 -8.519 9.104 45 HD12 LEU 6 HD12 LEU 6 -7.750 -7.518 7.961 46 HD13 LEU 6 HD13 LEU 6 -7.427 -7.388 9.691 47 HD21 LEU 6 HD21 LEU 6 -6.283 -10.941 7.662 48 HD22 LEU 6 HD22 LEU 6 -7.006 -9.635 6.725 49 HD23 LEU 6 HD23 LEU 6 -7.985 -10.540 7.878 50 H THR 7 HN THR 7 -1.946 -8.731 9.762 51 HA THR 7 HA THR 7 -0.523 -8.141 7.419 52 HB THR 7 HB THR 7 -1.685 -6.096 7.451 53 HG1 THR 7 HG1 THR 7 0.578 -5.904 7.145 54 HG21 THR 7 HG21 THR 7 -1.777 -4.591 9.408 55 HG22 THR 7 HG22 THR 7 -0.979 -5.832 10.375 56 HG23 THR 7 HG23 THR 7 -2.583 -6.130 9.709 57 H ALA 8 HN ALA 8 1.127 -9.522 8.290 58 HA ALA 8 HA ALA 8 2.506 -8.476 10.662 59 HB1 ALA 8 HB1 ALA 8 1.655 -10.779 10.932 60 HB2 ALA 8 HB2 ALA 8 3.414 -10.706 10.999 61 HB3 ALA 8 HB3 ALA 8 2.613 -11.283 9.539 62 H ASP 9 HN ASP 9 2.676 -9.248 7.335 63 HA ASP 9 HA ASP 9 5.507 -9.387 7.041 64 HB2 ASP 9 HB2 ASP 9 3.991 -10.319 5.330 65 HB3 ASP 9 HB1 ASP 9 3.412 -8.698 4.953 66 H ALA 10 HN ALA 10 3.163 -6.812 6.804 67 HA ALA 10 HA ALA 10 4.917 -4.811 5.852 68 HB1 ALA 10 HB1 ALA 10 2.471 -4.572 5.713 69 HB2 ALA 10 HB2 ALA 10 3.221 -3.194 6.510 70 HB3 ALA 10 HB3 ALA 10 2.392 -4.414 7.471 71 H GLU 11 HN GLU 11 4.471 -6.153 9.022 72 HA GLU 11 HA GLU 11 5.658 -3.867 10.345 73 HB2 GLU 11 HB2 GLU 11 3.982 -5.161 11.582 74 HB3 GLU 11 HB1 GLU 11 4.968 -6.613 11.442 75 HG2 GLU 11 HG2 GLU 11 6.697 -5.603 12.796 76 HG3 GLU 11 HG1 GLU 11 5.774 -4.105 12.890 77 H LEU 12 HN LEU 12 6.542 -7.178 9.575 78 HA LEU 12 HA LEU 12 9.173 -7.007 10.564 79 HB2 LEU 12 HB2 LEU 12 9.696 -9.016 9.254 80 HB3 LEU 12 HB1 LEU 12 8.208 -9.189 10.149 81 HG LEU 12 HG LEU 12 7.065 -8.592 7.862 82 HD11 LEU 12 HD11 LEU 12 9.082 -7.934 6.694 83 HD12 LEU 12 HD12 LEU 12 8.290 -9.304 5.919 84 HD13 LEU 12 HD13 LEU 12 9.738 -9.560 6.897 85 HD21 LEU 12 HD21 LEU 12 7.065 -10.957 7.252 86 HD22 LEU 12 HD22 LEU 12 6.868 -10.737 8.991 87 HD23 LEU 12 HD23 LEU 12 8.429 -11.237 8.336 88 H GLN 13 HN GLN 13 7.753 -5.958 7.591 89 HA GLN 13 HA GLN 13 10.264 -5.430 6.296 90 HB2 GLN 13 HB2 GLN 13 8.155 -5.806 5.006 91 HB3 GLN 13 HB1 GLN 13 7.547 -4.271 5.617 92 HG2 GLN 13 HG2 GLN 13 9.254 -3.065 4.465 93 HG3 GLN 13 HG1 GLN 13 10.062 -4.561 3.995 94 HE21 GLN 13 HE21 GLN 13 7.408 -2.428 3.400 95 HE22 GLN 13 HE22 GLN 13 6.901 -3.153 1.913 96 H ARG 14 HN ARG 14 7.943 -3.584 8.182 97 HA ARG 14 HA ARG 14 9.193 -1.050 7.955 98 HB2 ARG 14 HB2 ARG 14 6.892 -1.369 8.903 99 HB3 ARG 14 HB1 ARG 14 7.592 -2.151 10.309 100 HG2 ARG 14 HG2 ARG 14 8.315 0.668 9.579 101 HG3 ARG 14 HG1 ARG 14 6.851 0.301 10.486 102 HD2 ARG 14 HD2 ARG 14 9.679 -0.403 11.290 103 HD3 ARG 14 HD1 ARG 14 8.692 0.883 11.985 104 HE ARG 14 HE ARG 14 7.167 -1.299 12.381 105 HH11 ARG 14 HH11 ARG 14 10.543 -0.639 13.096 106 HH12 ARG 14 HH12 ARG 14 10.592 -1.667 14.483 107 HH21 ARG 14 HH21 ARG 14 7.230 -2.673 14.238 108 HH22 ARG 14 HH22 ARG 14 8.696 -2.838 15.133 109 H LEU 15 HN LEU 15 9.654 -3.787 10.051 110 HA LEU 15 HA LEU 15 11.577 -2.747 11.809 111 HB2 LEU 15 HB2 LEU 15 10.392 -4.876 12.129 112 HB3 LEU 15 HB1 LEU 15 11.249 -5.559 10.762 113 HG LEU 15 HG LEU 15 13.375 -5.246 12.035 114 HD11 LEU 15 HD11 LEU 15 13.208 -4.906 14.458 115 HD12 LEU 15 HD12 LEU 15 11.482 -4.593 14.288 116 HD13 LEU 15 HD13 LEU 15 12.654 -3.497 13.555 117 HD21 LEU 15 HD21 LEU 15 11.252 -6.960 13.313 118 HD22 LEU 15 HD22 LEU 15 12.994 -7.166 13.486 119 HD23 LEU 15 HD23 LEU 15 12.233 -7.393 11.914 120 H LYS 16 HN LYS 16 11.834 -4.217 8.634 121 HA LYS 16 HA LYS 16 14.672 -4.318 8.486 122 HB2 LYS 16 HB2 LYS 16 13.172 -5.603 6.957 123 HB3 LYS 16 HB1 LYS 16 12.693 -4.095 6.195 124 HG2 LYS 16 HG2 LYS 16 15.023 -3.744 5.494 125 HG3 LYS 16 HG1 LYS 16 15.444 -5.306 6.201 126 HD2 LYS 16 HD2 LYS 16 13.846 -6.405 4.694 127 HD3 LYS 16 HD1 LYS 16 13.457 -4.841 3.976 128 HE2 LYS 16 HE2 LYS 16 15.812 -4.602 3.299 129 HE3 LYS 16 HE1 LYS 16 16.148 -6.199 3.961 130 HZ1 LYS 16 HZ1 LYS 16 14.651 -7.167 2.356 131 HZ2 LYS 16 HZ2 LYS 16 15.801 -6.224 1.553 132 HZ3 LYS 16 HZ3 LYS 16 14.234 -5.641 1.760 133 H ASN 17 HN ASN 17 12.279 -1.913 7.665 134 HA ASN 17 HA ASN 17 14.025 -0.057 6.379 135 HB2 ASN 17 HB2 ASN 17 11.437 0.513 7.849 136 HB3 ASN 17 HB1 ASN 17 12.245 1.600 6.733 137 HD21 ASN 17 HD21 ASN 17 9.575 0.593 6.636 138 HD22 ASN 17 HD22 ASN 17 9.409 -0.277 5.151 139 H GLU 18 HN GLU 18 12.708 -0.331 9.637 140 HA GLU 18 HA GLU 18 13.928 1.889 10.814 141 HB2 GLU 18 HB2 GLU 18 12.118 0.300 11.737 142 HB3 GLU 18 HB1 GLU 18 13.455 -0.716 12.253 143 HG2 GLU 18 HG2 GLU 18 12.803 0.597 14.109 144 HG3 GLU 18 HG1 GLU 18 14.337 1.245 13.527 145 H ARG 19 HN ARG 19 15.071 -1.371 10.269 146 HA ARG 19 HA ARG 19 17.434 -1.254 11.792 147 HB2 ARG 19 HB2 ARG 19 16.417 -3.348 10.748 148 HB3 ARG 19 HB1 ARG 19 17.120 -2.826 9.221 149 HG2 ARG 19 HG2 ARG 19 18.530 -4.471 10.240 150 HG3 ARG 19 HG1 ARG 19 19.350 -2.908 10.275 151 HD2 ARG 19 HD2 ARG 19 18.726 -2.594 12.592 152 HD3 ARG 19 HD1 ARG 19 17.794 -4.090 12.571 153 HE ARG 19 HE ARG 19 20.574 -4.419 11.897 154 HH11 ARG 19 HH11 ARG 19 18.222 -4.305 14.501 155 HH12 ARG 19 HH12 ARG 19 19.209 -5.206 15.597 156 HH21 ARG 19 HH21 ARG 19 21.874 -5.605 13.354 157 HH22 ARG 19 HH22 ARG 19 21.292 -5.946 14.943 158 H HIS 20 HN HIS 20 16.772 -0.392 8.426 159 HA HIS 20 HA HIS 20 19.452 0.331 7.801 160 HB2 HIS 20 HB2 HIS 20 16.846 1.107 6.468 161 HB3 HIS 20 HB1 HIS 20 18.433 1.541 5.851 162 HD1 HIS 20 HD1 HIS 20 16.042 -0.581 4.817 163 HD2 HIS 20 HD2 HIS 20 19.938 -1.318 6.062 164 HE1 HIS 20 HE1 HIS 20 16.670 -2.776 3.792 165 H GLU 21 HN GLU 21 16.716 2.089 9.112 166 HA GLU 21 HA GLU 21 17.785 4.683 8.866 167 HB2 GLU 21 HB2 GLU 21 15.884 3.610 10.957 168 HB3 GLU 21 HB1 GLU 21 16.186 5.312 10.629 169 HG2 GLU 21 HG2 GLU 21 15.000 3.335 8.697 170 HG3 GLU 21 HG1 GLU 21 14.111 4.544 9.618 171 H GLU 22 HN GLU 22 18.083 2.225 11.362 172 HA GLU 22 HA GLU 22 19.574 3.901 13.134 173 HB2 GLU 22 HB2 GLU 22 18.284 1.922 13.932 174 HB3 GLU 22 HB1 GLU 22 19.427 0.872 13.103 175 HG2 GLU 22 HG2 GLU 22 19.905 0.979 15.473 176 HG3 GLU 22 HG1 GLU 22 21.222 1.689 14.538 177 H ALA 23 HN ALA 23 20.386 1.851 10.381 178 HA ALA 23 HA ALA 23 23.166 1.668 11.066 179 HB1 ALA 23 HB1 ALA 23 22.036 -0.097 9.727 180 HB2 ALA 23 HB2 ALA 23 23.428 0.597 8.907 181 HB3 ALA 23 HB3 ALA 23 21.806 1.072 8.421 182 H GLU 24 HN GLU 24 21.086 3.857 9.497 183 HA GLU 24 HA GLU 24 23.056 5.246 7.950 184 HB2 GLU 24 HB2 GLU 24 20.642 5.496 7.449 185 HB3 GLU 24 HB1 GLU 24 20.375 6.246 9.014 186 HG2 GLU 24 HG2 GLU 24 20.427 7.966 7.404 187 HG3 GLU 24 HG1 GLU 24 21.937 8.064 8.306 188 H LEU 25 HN LEU 25 21.527 5.736 11.088 189 HA LEU 25 HA LEU 25 22.992 7.963 11.921 190 HB2 LEU 25 HB2 LEU 25 21.933 5.744 13.667 191 HB3 LEU 25 HB1 LEU 25 22.291 7.388 14.160 192 HG LEU 25 HG LEU 25 20.099 6.575 12.250 193 HD11 LEU 25 HD11 LEU 25 19.633 5.889 14.535 194 HD12 LEU 25 HD12 LEU 25 18.582 7.216 14.044 195 HD13 LEU 25 HD13 LEU 25 19.957 7.526 15.104 196 HD21 LEU 25 HD21 LEU 25 20.992 8.788 11.737 197 HD22 LEU 25 HD22 LEU 25 20.789 9.271 13.421 198 HD23 LEU 25 HD23 LEU 25 19.376 8.906 12.431 199 H GLU 26 HN GLU 26 23.607 4.565 12.215 200 HA GLU 26 HA GLU 26 25.970 4.543 13.710 201 HB2 GLU 26 HB2 GLU 26 25.199 2.768 11.399 202 HB3 GLU 26 HB1 GLU 26 26.658 2.509 12.342 203 HG2 GLU 26 HG2 GLU 26 25.256 2.274 14.362 204 HG3 GLU 26 HG1 GLU 26 23.821 2.406 13.347 205 H ARG 27 HN ARG 27 25.746 4.671 10.182 206 HA ARG 27 HA ARG 27 28.498 5.215 9.735 207 HB2 ARG 27 HB2 ARG 27 27.161 4.297 7.940 208 HB3 ARG 27 HB1 ARG 27 26.071 5.675 7.976 209 HG2 ARG 27 HG2 ARG 27 27.835 7.119 7.156 210 HG3 ARG 27 HG1 ARG 27 28.968 5.763 7.171 211 HD2 ARG 27 HD2 ARG 27 28.016 6.240 4.926 212 HD3 ARG 27 HD1 ARG 27 27.696 4.605 5.498 213 HE ARG 27 HE ARG 27 25.633 6.643 5.916 214 HH11 ARG 27 HH11 ARG 27 26.725 3.800 4.177 215 HH12 ARG 27 HH12 ARG 27 25.161 3.434 3.538 216 HH21 ARG 27 HH21 ARG 27 23.561 6.155 5.082 217 HH22 ARG 27 HH22 ARG 27 23.353 4.777 4.043 218 H LEU 28 HN LEU 28 25.714 7.236 10.229 219 HA LEU 28 HA LEU 28 26.789 9.714 9.416 220 HB2 LEU 28 HB2 LEU 28 24.379 9.356 9.799 221 HB3 LEU 28 HB1 LEU 28 24.673 9.191 11.519 222 HG LEU 28 HG LEU 28 25.481 11.554 11.536 223 HD11 LEU 28 HD11 LEU 28 24.888 12.979 9.640 224 HD12 LEU 28 HD12 LEU 28 24.394 11.555 8.725 225 HD13 LEU 28 HD13 LEU 28 26.083 11.763 9.192 226 HD21 LEU 28 HD21 LEU 28 22.667 11.085 10.560 227 HD22 LEU 28 HD22 LEU 28 23.242 12.515 11.416 228 HD23 LEU 28 HD23 LEU 28 23.223 10.950 12.227 229 H LYS 29 HN LYS 29 26.638 8.218 12.639 230 HA LYS 29 HA LYS 29 27.984 10.337 13.957 231 HB2 LYS 29 HB2 LYS 29 27.769 7.447 14.813 232 HB3 LYS 29 HB1 LYS 29 28.249 8.788 15.841 233 HG2 LYS 29 HG2 LYS 29 25.970 9.789 15.368 234 HG3 LYS 29 HG1 LYS 29 25.545 8.231 14.657 235 HD2 LYS 29 HD2 LYS 29 26.419 8.744 17.505 236 HD3 LYS 29 HD1 LYS 29 24.802 8.307 16.964 237 HE2 LYS 29 HE2 LYS 29 27.255 6.570 16.663 238 HE3 LYS 29 HE1 LYS 29 26.058 6.407 17.945 239 HZ1 LYS 29 HZ1 LYS 29 25.709 4.843 16.123 240 HZ2 LYS 29 HZ2 LYS 29 25.487 6.123 15.044 241 HZ3 LYS 29 HZ3 LYS 29 24.389 5.881 16.311 242 H SER 30 HN SER 30 29.102 7.732 12.026 243 HA SER 30 HA SER 30 31.768 7.692 13.115 244 HB2 SER 30 HB2 SER 30 30.769 5.662 12.061 245 HB3 SER 30 HB1 SER 30 30.755 6.497 10.507 246 HG SER 30 HG SER 30 32.990 6.558 10.547 247 H GLU 31 HN GLU 31 30.110 9.249 10.455 248 HA GLU 31 HA GLU 31 32.565 10.301 9.342 249 HB2 GLU 31 HB2 GLU 31 29.696 10.921 8.632 250 HB3 GLU 31 HB1 GLU 31 31.114 11.395 7.708 251 HG2 GLU 31 HG2 GLU 31 30.140 8.591 8.193 252 HG3 GLU 31 HG1 GLU 31 30.053 9.492 6.680 253 H ARG 32 HN ARG 32 29.644 11.631 10.859 254 HA ARG 32 HA ARG 32 30.493 14.303 10.981 255 HB2 ARG 32 HB2 ARG 32 28.539 12.814 12.733 256 HB3 ARG 32 HB1 ARG 32 28.756 14.555 12.757 257 HG2 ARG 32 HG2 ARG 32 27.840 12.950 10.373 258 HG3 ARG 32 HG1 ARG 32 26.787 13.848 11.463 259 HD2 ARG 32 HD2 ARG 32 27.022 15.487 9.931 260 HD3 ARG 32 HD1 ARG 32 28.544 15.785 10.765 261 HE ARG 32 HE ARG 32 28.962 13.863 8.750 262 HH11 ARG 32 HH11 ARG 32 28.237 17.287 9.071 263 HH12 ARG 32 HH12 ARG 32 28.969 17.716 7.565 264 HH21 ARG 32 HH21 ARG 32 29.922 14.442 6.729 265 HH22 ARG 32 HH22 ARG 32 29.912 16.100 6.234 266 H HIS 33 HN HIS 33 31.465 11.601 12.797 267 HA HIS 33 HA HIS 33 32.079 12.523 15.312 268 HB2 HIS 33 HB2 HIS 33 32.363 10.186 14.263 269 HB3 HIS 33 HB1 HIS 33 33.957 10.746 13.781 270 HD1 HIS 33 HD1 HIS 33 32.270 9.055 16.440 271 HD2 HIS 33 HD2 HIS 33 35.509 11.640 16.184 272 HE1 HIS 33 HE1 HIS 33 33.557 8.729 18.569 273 H ASP 34 HN ASP 34 33.845 13.134 12.323 274 HA ASP 34 HA ASP 34 36.024 14.483 13.768 275 HB2 ASP 34 HB2 ASP 34 36.615 13.051 11.824 276 HB3 ASP 34 HB1 ASP 34 35.643 14.074 10.775 277 H HIS 35 HN HIS 35 33.074 15.256 12.713 278 HA HIS 35 HA HIS 35 33.729 18.006 11.904 279 HB2 HIS 35 HB2 HIS 35 31.078 16.550 11.829 280 HB3 HIS 35 HB1 HIS 35 31.337 18.206 11.291 281 HD2 HIS 35 HD2 HIS 35 32.904 18.437 8.919 282 HE1 HIS 35 HE1 HIS 35 32.540 14.340 7.895 283 HE2 HIS 35 HE2 HIS 35 33.394 16.588 7.178 284 H ASP 36 HN ASP 36 33.065 16.287 14.631 285 HA ASP 36 HA ASP 36 31.227 17.913 16.025 286 HB2 ASP 36 HB2 ASP 36 31.804 16.715 17.985 287 HB3 ASP 36 HB1 ASP 36 32.002 15.551 16.686 288 H LYS 37 HN LYS 37 34.721 18.001 15.741 289 HA LYS 37 HA LYS 37 35.121 20.023 17.697 290 HB2 LYS 37 HB2 LYS 37 36.960 18.570 16.885 291 HB3 LYS 37 HB1 LYS 37 36.895 19.382 15.325 292 HG2 LYS 37 HG2 LYS 37 37.532 21.475 16.375 293 HG3 LYS 37 HG1 LYS 37 37.560 20.683 17.952 294 HD2 LYS 37 HD2 LYS 37 39.325 19.174 17.128 295 HD3 LYS 37 HD1 LYS 37 39.322 20.043 15.591 296 HE2 LYS 37 HE2 LYS 37 39.967 22.092 16.718 297 HE3 LYS 37 HE1 LYS 37 39.896 21.281 18.281 298 HZ1 LYS 37 HZ1 LYS 37 41.759 20.620 16.070 299 HZ2 LYS 37 HZ2 LYS 37 41.697 19.840 17.572 300 HZ3 LYS 37 HZ3 LYS 37 42.153 21.469 17.481 301 H LYS 38 HN LYS 38 34.096 20.134 14.415 302 HA LYS 38 HA LYS 38 34.693 22.936 14.077 303 HB2 LYS 38 HB2 LYS 38 32.968 21.189 12.313 304 HB3 LYS 38 HB1 LYS 38 33.737 22.711 11.884 305 HG2 LYS 38 HG2 LYS 38 35.938 21.620 12.223 306 HG3 LYS 38 HG1 LYS 38 35.091 20.097 12.472 307 HD2 LYS 38 HD2 LYS 38 34.100 20.329 10.217 308 HD3 LYS 38 HD1 LYS 38 35.064 21.790 9.977 309 HE2 LYS 38 HE2 LYS 38 36.091 18.995 10.453 310 HE3 LYS 38 HE1 LYS 38 36.176 19.906 8.947 311 HZ1 LYS 38 HZ1 LYS 38 37.551 20.610 11.488 312 HZ2 LYS 38 HZ2 LYS 38 37.626 21.506 10.062 313 HZ3 LYS 38 HZ3 LYS 38 38.282 19.955 10.115 314 H GLU 39 HN GLU 39 31.783 20.929 14.467 315 HA GLU 39 HA GLU 39 30.445 22.813 16.055 316 HB2 GLU 39 HB2 GLU 39 30.288 24.010 13.847 317 HB3 GLU 39 HB1 GLU 39 29.365 22.651 13.228 318 HG2 GLU 39 HG2 GLU 39 27.944 24.533 13.906 319 HG3 GLU 39 HG1 GLU 39 27.603 23.065 14.820 320 H ALA 40 HN ALA 40 28.392 22.053 16.738 321 HA ALA 40 HA ALA 40 28.256 19.218 16.780 322 HB1 ALA 40 HB1 ALA 40 27.579 20.548 18.721 323 HB2 ALA 40 HB2 ALA 40 26.284 19.485 18.184 324 HB3 ALA 40 HB3 ALA 40 26.214 21.201 17.805 325 H GLU 41 HN GLU 41 27.171 17.930 15.109 326 HA GLU 41 HA GLU 41 25.238 19.344 13.426 327 HB2 GLU 41 HB2 GLU 41 26.838 16.830 12.914 328 HB3 GLU 41 HB1 GLU 41 25.664 17.519 11.805 329 HG2 GLU 41 HG2 GLU 41 28.179 18.874 12.740 330 HG3 GLU 41 HG1 GLU 41 27.953 18.074 11.182 331 H ARG 42 HN ARG 42 25.181 17.404 16.071 332 HA ARG 42 HA ARG 42 22.591 16.573 15.793 333 HB2 ARG 42 HB2 ARG 42 23.829 14.909 14.262 334 HB3 ARG 42 HB1 ARG 42 24.608 14.318 15.721 335 HG2 ARG 42 HG2 ARG 42 22.422 13.734 16.651 336 HG3 ARG 42 HG1 ARG 42 21.650 14.319 15.176 337 HD2 ARG 42 HD2 ARG 42 22.934 12.653 13.885 338 HD3 ARG 42 HD1 ARG 42 23.607 12.037 15.393 339 HE ARG 42 HE ARG 42 20.765 11.910 14.615 340 HH11 ARG 42 HH11 ARG 42 23.492 10.667 16.455 341 HH12 ARG 42 HH12 ARG 42 22.615 9.327 17.097 342 HH21 ARG 42 HH21 ARG 42 19.616 10.109 15.453 343 HH22 ARG 42 HH22 ARG 42 20.412 8.992 16.504 344 H LYS 43 HN LYS 43 21.968 15.970 17.739 345 HA LYS 43 HA LYS 43 23.085 16.785 20.079 346 HB2 LYS 43 HB2 LYS 43 21.348 14.342 19.745 347 HB3 LYS 43 HB1 LYS 43 21.708 15.088 21.292 348 HG2 LYS 43 HG2 LYS 43 20.645 17.171 20.480 349 HG3 LYS 43 HG1 LYS 43 20.193 16.322 19.005 350 HD2 LYS 43 HD2 LYS 43 19.372 15.531 21.798 351 HD3 LYS 43 HD1 LYS 43 18.354 16.393 20.647 352 HE2 LYS 43 HE2 LYS 43 19.513 13.632 20.236 353 HE3 LYS 43 HE1 LYS 43 17.863 13.975 20.739 354 HZ1 LYS 43 HZ1 LYS 43 17.531 15.164 18.648 355 HZ2 LYS 43 HZ2 LYS 43 17.942 13.550 18.383 356 HZ3 LYS 43 HZ3 LYS 43 19.096 14.765 18.154 357 H ALA 44 HN ALA 44 23.497 13.558 18.701 358 HA ALA 44 HA ALA 44 25.058 12.341 20.632 359 HB1 ALA 44 HB1 ALA 44 25.373 12.055 17.635 360 HB2 ALA 44 HB2 ALA 44 24.279 11.124 18.663 361 HB3 ALA 44 HB3 ALA 44 26.021 10.952 18.844 362 H LEU 45 HN LEU 45 26.086 14.641 18.178 363 HA LEU 45 HA LEU 45 28.882 14.402 18.934 364 HB2 LEU 45 HB2 LEU 45 27.510 16.248 16.964 365 HB3 LEU 45 HB1 LEU 45 29.226 16.284 17.294 366 HG LEU 45 HG LEU 45 28.995 15.104 15.279 367 HD11 LEU 45 HD11 LEU 45 29.253 13.012 17.426 368 HD12 LEU 45 HD12 LEU 45 30.543 14.064 16.847 369 HD13 LEU 45 HD13 LEU 45 29.814 12.883 15.759 370 HD21 LEU 45 HD21 LEU 45 26.839 13.452 16.590 371 HD22 LEU 45 HD22 LEU 45 27.500 13.174 14.979 372 HD23 LEU 45 HD23 LEU 45 26.619 14.662 15.325 373 H GLU 46 HN GLU 46 26.218 16.617 19.355 374 HA GLU 46 HA GLU 46 27.630 18.739 20.570 375 HB2 GLU 46 HB2 GLU 46 25.249 18.911 19.791 376 HB3 GLU 46 HB1 GLU 46 24.769 17.918 21.162 377 HG2 GLU 46 HG2 GLU 46 25.509 19.614 22.700 378 HG3 GLU 46 HG1 GLU 46 26.135 20.589 21.371 379 H ASP 47 HN ASP 47 26.183 15.832 21.875 380 HA ASP 47 HA ASP 47 26.660 16.344 24.625 381 HB2 ASP 47 HB2 ASP 47 25.106 14.585 23.973 382 HB3 ASP 47 HB1 ASP 47 26.387 13.709 23.141 383 H LYS 48 HN LYS 48 28.475 14.568 22.231 384 HA LYS 48 HA LYS 48 30.710 13.825 23.672 385 HB2 LYS 48 HB2 LYS 48 30.645 14.806 20.811 386 HB3 LYS 48 HB1 LYS 48 32.043 14.047 21.557 387 HG2 LYS 48 HG2 LYS 48 29.341 12.780 21.155 388 HG3 LYS 48 HG1 LYS 48 30.793 12.469 20.202 389 HD2 LYS 48 HD2 LYS 48 31.917 11.691 22.291 390 HD3 LYS 48 HD1 LYS 48 30.374 11.867 23.131 391 HE2 LYS 48 HE2 LYS 48 30.721 9.558 22.461 392 HE3 LYS 48 HE1 LYS 48 29.358 10.259 21.589 393 HZ1 LYS 48 HZ1 LYS 48 30.789 8.961 20.134 394 HZ2 LYS 48 HZ2 LYS 48 32.109 9.947 20.517 395 HZ3 LYS 48 HZ3 LYS 48 30.791 10.588 19.678 396 H LEU 49 HN LEU 49 30.298 16.961 22.005 397 HA LEU 49 HA LEU 49 32.642 18.140 23.004 398 HB2 LEU 49 HB2 LEU 49 30.047 19.478 22.236 399 HB3 LEU 49 HB1 LEU 49 31.602 20.267 22.390 400 HG LEU 49 HG LEU 49 30.954 18.142 20.349 401 HD11 LEU 49 HD11 LEU 49 30.951 19.977 18.737 402 HD12 LEU 49 HD12 LEU 49 31.162 21.134 20.051 403 HD13 LEU 49 HD13 LEU 49 29.684 20.180 19.946 404 HD21 LEU 49 HD21 LEU 49 33.315 18.208 20.942 405 HD22 LEU 49 HD22 LEU 49 33.347 19.951 20.677 406 HD23 LEU 49 HD23 LEU 49 33.064 18.858 19.322 407 H ALA 50 HN ALA 50 29.319 18.675 23.988 408 HA ALA 50 HA ALA 50 29.741 20.241 26.248 409 HB1 ALA 50 HB1 ALA 50 27.471 18.311 25.808 410 HB2 ALA 50 HB2 ALA 50 27.548 19.972 25.218 411 HB3 ALA 50 HB3 ALA 50 27.483 19.651 26.950 412 H ASP 51 HN ASP 51 31.337 19.568 27.566 413 HA ASP 51 HA ASP 51 31.175 16.932 28.772 414 HB2 ASP 51 HB2 ASP 51 33.391 17.819 28.148 415 HB3 ASP 51 HB1 ASP 51 33.192 19.107 29.336 416 H TYR 52 HN TYR 52 29.436 16.921 29.997 417 HA TYR 52 HA TYR 52 29.571 18.565 32.431 418 HB2 TYR 52 HB2 TYR 52 27.079 17.637 30.986 419 HB3 TYR 52 HB1 TYR 52 27.082 18.392 32.573 420 HD1 TYR 52 HD1 TYR 52 26.832 18.948 29.096 421 HD2 TYR 52 HD2 TYR 52 28.195 20.757 32.694 422 HE1 TYR 52 HE1 TYR 52 26.696 21.161 28.030 423 HE2 TYR 52 HE2 TYR 52 28.062 22.971 31.638 424 HH TYR 52 HH TYR 52 28.102 23.929 29.359 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -5.312 -4.174 15.804 2 H2 GLY 1 HT2 GLY 1 -4.012 -4.138 16.886 3 H3 GLY 1 HT3 GLY 1 -4.686 -5.618 16.417 4 HA2 GLY 1 HA1 GLY 1 -3.271 -3.725 14.634 5 HA3 GLY 1 HA2 GLY 1 -2.588 -5.210 15.287 6 H SER 2 HN SER 2 -5.225 -3.948 13.290 7 HA SER 2 HA SER 2 -6.014 -6.471 12.276 8 HB2 SER 2 HB2 SER 2 -6.441 -3.758 11.017 9 HB3 SER 2 HB1 SER 2 -7.403 -5.215 10.768 10 HG SER 2 HG SER 2 -8.133 -5.081 12.861 11 H VAL 3 HN VAL 3 -3.989 -3.855 10.963 12 HA VAL 3 HA VAL 3 -3.451 -5.138 8.484 13 HB VAL 3 HB VAL 3 -1.835 -3.005 9.916 14 HG11 VAL 3 HG11 VAL 3 -1.844 -3.803 7.005 15 HG12 VAL 3 HG12 VAL 3 -0.548 -4.111 8.160 16 HG13 VAL 3 HG13 VAL 3 -0.947 -2.455 7.702 17 HG21 VAL 3 HG21 VAL 3 -4.153 -2.318 9.539 18 HG22 VAL 3 HG22 VAL 3 -3.996 -2.721 7.830 19 HG23 VAL 3 HG23 VAL 3 -3.042 -1.406 8.519 20 H GLU 4 HN GLU 4 -1.980 -5.130 11.601 21 HA GLU 4 HA GLU 4 0.501 -6.350 11.044 22 HB2 GLU 4 HB2 GLU 4 0.031 -5.335 13.221 23 HB3 GLU 4 HB1 GLU 4 -1.202 -6.546 13.543 24 HG2 GLU 4 HG2 GLU 4 0.583 -8.271 13.465 25 HG3 GLU 4 HG1 GLU 4 1.762 -6.963 13.341 26 H LYS 5 HN LYS 5 -2.658 -7.726 11.741 27 HA LYS 5 HA LYS 5 -1.696 -10.436 11.682 28 HB2 LYS 5 HB2 LYS 5 -3.640 -9.734 13.059 29 HB3 LYS 5 HB1 LYS 5 -4.533 -9.414 11.579 30 HG2 LYS 5 HG2 LYS 5 -4.234 -11.818 10.971 31 HG3 LYS 5 HG1 LYS 5 -3.537 -12.074 12.571 32 HD2 LYS 5 HD2 LYS 5 -5.851 -12.684 12.659 33 HD3 LYS 5 HD1 LYS 5 -5.647 -11.176 13.553 34 HE2 LYS 5 HE2 LYS 5 -6.433 -9.920 11.600 35 HE3 LYS 5 HE1 LYS 5 -6.642 -11.427 10.713 36 HZ1 LYS 5 HZ1 LYS 5 -8.289 -12.104 12.356 37 HZ2 LYS 5 HZ2 LYS 5 -8.725 -10.646 11.621 38 HZ3 LYS 5 HZ3 LYS 5 -8.090 -10.642 13.179 39 H LEU 6 HN LEU 6 -3.743 -8.425 9.580 40 HA LEU 6 HA LEU 6 -4.148 -10.301 7.560 41 HB2 LEU 6 HB2 LEU 6 -4.050 -7.298 7.334 42 HB3 LEU 6 HB1 LEU 6 -4.710 -8.381 6.127 43 HG LEU 6 HG LEU 6 -5.790 -7.995 8.917 44 HD11 LEU 6 HD11 LEU 6 -7.693 -6.957 7.795 45 HD12 LEU 6 HD12 LEU 6 -6.869 -7.126 6.245 46 HD13 LEU 6 HD13 LEU 6 -6.197 -6.073 7.491 47 HD21 LEU 6 HD21 LEU 6 -6.169 -10.259 8.191 48 HD22 LEU 6 HD22 LEU 6 -6.758 -9.697 6.627 49 HD23 LEU 6 HD23 LEU 6 -7.683 -9.358 8.091 50 H THR 7 HN THR 7 -1.363 -8.261 8.168 51 HA THR 7 HA THR 7 -0.042 -9.503 5.938 52 HB THR 7 HB THR 7 0.077 -6.512 6.356 53 HG1 THR 7 HG1 THR 7 -1.928 -6.785 5.536 54 HG21 THR 7 HG21 THR 7 1.142 -6.540 4.142 55 HG22 THR 7 HG22 THR 7 0.994 -8.297 4.092 56 HG23 THR 7 HG23 THR 7 2.041 -7.535 5.288 57 H ALA 8 HN ALA 8 1.369 -10.537 7.529 58 HA ALA 8 HA ALA 8 2.633 -9.057 9.618 59 HB1 ALA 8 HB1 ALA 8 2.239 -11.490 9.819 60 HB2 ALA 8 HB2 ALA 8 3.935 -11.070 10.035 61 HB3 ALA 8 HB3 ALA 8 3.397 -11.774 8.516 62 H ASP 9 HN ASP 9 3.181 -9.541 6.371 63 HA ASP 9 HA ASP 9 6.000 -9.194 6.141 64 HB2 ASP 9 HB2 ASP 9 4.736 -9.898 4.171 65 HB3 ASP 9 HB1 ASP 9 3.818 -8.395 4.180 66 H ALA 10 HN ALA 10 3.326 -6.985 6.443 67 HA ALA 10 HA ALA 10 4.651 -4.554 6.045 68 HB1 ALA 10 HB1 ALA 10 2.848 -3.512 7.300 69 HB2 ALA 10 HB2 ALA 10 2.340 -5.074 7.928 70 HB3 ALA 10 HB3 ALA 10 2.202 -4.724 6.202 71 H GLU 11 HN GLU 11 4.513 -6.620 8.892 72 HA GLU 11 HA GLU 11 5.687 -4.712 10.672 73 HB2 GLU 11 HB2 GLU 11 5.474 -7.731 10.870 74 HB3 GLU 11 HB1 GLU 11 6.077 -6.692 12.149 75 HG2 GLU 11 HG2 GLU 11 3.289 -6.600 11.002 76 HG3 GLU 11 HG1 GLU 11 3.760 -7.351 12.522 77 H LEU 12 HN LEU 12 6.839 -7.324 8.653 78 HA LEU 12 HA LEU 12 9.550 -7.318 9.354 79 HB2 LEU 12 HB2 LEU 12 8.138 -7.979 6.764 80 HB3 LEU 12 HB1 LEU 12 9.877 -8.000 6.874 81 HG LEU 12 HG LEU 12 9.880 -9.849 8.365 82 HD11 LEU 12 HD11 LEU 12 7.870 -10.840 9.302 83 HD12 LEU 12 HD12 LEU 12 6.886 -9.583 8.554 84 HD13 LEU 12 HD13 LEU 12 8.038 -9.163 9.821 85 HD21 LEU 12 HD21 LEU 12 9.494 -10.409 6.040 86 HD22 LEU 12 HD22 LEU 12 7.753 -10.255 6.280 87 HD23 LEU 12 HD23 LEU 12 8.645 -11.540 7.098 88 H GLN 13 HN GLN 13 7.774 -5.427 6.957 89 HA GLN 13 HA GLN 13 9.900 -3.980 5.880 90 HB2 GLN 13 HB2 GLN 13 7.022 -3.144 6.268 91 HB3 GLN 13 HB1 GLN 13 8.190 -2.256 5.302 92 HG2 GLN 13 HG2 GLN 13 7.288 -5.081 4.803 93 HG3 GLN 13 HG1 GLN 13 6.753 -3.648 3.923 94 HE21 GLN 13 HE21 GLN 13 8.186 -2.618 2.534 95 HE22 GLN 13 HE22 GLN 13 9.605 -3.400 1.933 96 H ARG 14 HN ARG 14 7.893 -3.292 8.706 97 HA ARG 14 HA ARG 14 8.978 -0.789 9.342 98 HB2 ARG 14 HB2 ARG 14 7.858 -2.909 11.187 99 HB3 ARG 14 HB1 ARG 14 8.241 -1.269 11.678 100 HG2 ARG 14 HG2 ARG 14 6.598 -0.438 10.026 101 HG3 ARG 14 HG1 ARG 14 6.158 -2.114 9.684 102 HD2 ARG 14 HD2 ARG 14 5.416 -2.449 11.934 103 HD3 ARG 14 HD1 ARG 14 6.054 -0.882 12.428 104 HE ARG 14 HE ARG 14 3.782 -1.245 10.590 105 HH11 ARG 14 HH11 ARG 14 5.387 0.499 13.180 106 HH12 ARG 14 HH12 ARG 14 4.176 1.728 13.275 107 HH21 ARG 14 HH21 ARG 14 2.152 0.382 10.743 108 HH22 ARG 14 HH22 ARG 14 2.337 1.660 11.895 109 H LEU 15 HN LEU 15 9.952 -4.018 10.302 110 HA LEU 15 HA LEU 15 12.103 -3.208 11.969 111 HB2 LEU 15 HB2 LEU 15 11.132 -5.421 12.168 112 HB3 LEU 15 HB1 LEU 15 11.623 -5.826 10.538 113 HG LEU 15 HG LEU 15 14.001 -5.629 11.262 114 HD11 LEU 15 HD11 LEU 15 14.488 -5.656 13.660 115 HD12 LEU 15 HD12 LEU 15 12.778 -5.399 14.006 116 HD13 LEU 15 HD13 LEU 15 13.705 -4.156 13.166 117 HD21 LEU 15 HD21 LEU 15 12.899 -7.790 11.121 118 HD22 LEU 15 HD22 LEU 15 12.298 -7.604 12.768 119 HD23 LEU 15 HD23 LEU 15 14.031 -7.752 12.473 120 H LYS 16 HN LYS 16 12.035 -4.389 8.619 121 HA LYS 16 HA LYS 16 14.758 -4.263 8.051 122 HB2 LYS 16 HB2 LYS 16 12.390 -3.841 6.212 123 HB3 LYS 16 HB1 LYS 16 14.043 -4.056 5.663 124 HG2 LYS 16 HG2 LYS 16 14.111 -6.292 6.367 125 HG3 LYS 16 HG1 LYS 16 12.678 -6.106 7.377 126 HD2 LYS 16 HD2 LYS 16 12.182 -7.353 5.315 127 HD3 LYS 16 HD1 LYS 16 11.287 -5.836 5.390 128 HE2 LYS 16 HE2 LYS 16 12.991 -4.805 3.924 129 HE3 LYS 16 HE1 LYS 16 13.801 -6.365 3.809 130 HZ1 LYS 16 HZ1 LYS 16 12.361 -5.924 1.904 131 HZ2 LYS 16 HZ2 LYS 16 11.015 -5.817 2.924 132 HZ3 LYS 16 HZ3 LYS 16 11.836 -7.285 2.761 133 H ASN 17 HN ASN 17 12.284 -1.768 7.690 134 HA ASN 17 HA ASN 17 14.069 0.114 6.470 135 HB2 ASN 17 HB2 ASN 17 11.610 0.198 6.104 136 HB3 ASN 17 HB1 ASN 17 11.397 0.680 7.786 137 HD21 ASN 17 HD21 ASN 17 12.466 1.643 4.637 138 HD22 ASN 17 HD22 ASN 17 12.584 3.329 4.980 139 H GLU 18 HN GLU 18 12.745 -0.222 9.746 140 HA GLU 18 HA GLU 18 13.884 2.121 10.778 141 HB2 GLU 18 HB2 GLU 18 12.068 0.909 11.888 142 HB3 GLU 18 HB1 GLU 18 13.172 -0.409 12.256 143 HG2 GLU 18 HG2 GLU 18 14.479 1.029 13.679 144 HG3 GLU 18 HG1 GLU 18 13.480 2.415 13.243 145 H ARG 19 HN ARG 19 15.097 -1.245 10.904 146 HA ARG 19 HA ARG 19 17.398 -0.545 12.385 147 HB2 ARG 19 HB2 ARG 19 18.243 -2.739 11.953 148 HB3 ARG 19 HB1 ARG 19 16.510 -2.884 12.180 149 HG2 ARG 19 HG2 ARG 19 16.228 -3.024 9.738 150 HG3 ARG 19 HG1 ARG 19 17.982 -2.934 9.552 151 HD2 ARG 19 HD2 ARG 19 18.107 -4.954 11.074 152 HD3 ARG 19 HD1 ARG 19 16.363 -5.099 10.871 153 HE ARG 19 HE ARG 19 17.422 -4.958 8.326 154 HH11 ARG 19 HH11 ARG 19 17.644 -7.106 11.102 155 HH12 ARG 19 HH12 ARG 19 18.070 -8.488 10.153 156 HH21 ARG 19 HH21 ARG 19 17.983 -6.827 7.067 157 HH22 ARG 19 HH22 ARG 19 18.257 -8.333 7.873 158 H HIS 20 HN HIS 20 16.818 -0.822 8.919 159 HA HIS 20 HA HIS 20 19.429 -0.264 8.053 160 HB2 HIS 20 HB2 HIS 20 17.581 -1.016 6.528 161 HB3 HIS 20 HB1 HIS 20 16.879 0.596 6.646 162 HD1 HIS 20 HD1 HIS 20 17.792 2.352 5.097 163 HD2 HIS 20 HD2 HIS 20 20.101 -1.101 5.149 164 HE1 HIS 20 HE1 HIS 20 19.458 2.637 3.245 165 H GLU 21 HN GLU 21 16.793 1.903 8.948 166 HA GLU 21 HA GLU 21 18.110 4.329 8.303 167 HB2 GLU 21 HB2 GLU 21 15.663 4.213 8.714 168 HB3 GLU 21 HB1 GLU 21 15.973 3.866 10.410 169 HG2 GLU 21 HG2 GLU 21 17.060 6.054 10.634 170 HG3 GLU 21 HG1 GLU 21 16.680 6.396 8.947 171 H GLU 22 HN GLU 22 17.973 2.381 11.230 172 HA GLU 22 HA GLU 22 19.468 4.142 12.859 173 HB2 GLU 22 HB2 GLU 22 19.125 1.135 13.052 174 HB3 GLU 22 HB1 GLU 22 19.951 2.107 14.255 175 HG2 GLU 22 HG2 GLU 22 17.905 3.336 14.698 176 HG3 GLU 22 HG1 GLU 22 17.058 2.407 13.465 177 H ALA 23 HN ALA 23 20.493 1.240 11.018 178 HA ALA 23 HA ALA 23 23.222 1.470 11.355 179 HB1 ALA 23 HB1 ALA 23 23.475 0.212 9.271 180 HB2 ALA 23 HB2 ALA 23 21.797 0.532 8.855 181 HB3 ALA 23 HB3 ALA 23 22.186 -0.463 10.262 182 H GLU 24 HN GLU 24 21.178 3.562 9.596 183 HA GLU 24 HA GLU 24 23.293 4.663 7.955 184 HB2 GLU 24 HB2 GLU 24 21.015 4.782 7.083 185 HB3 GLU 24 HB1 GLU 24 20.495 5.716 8.480 186 HG2 GLU 24 HG2 GLU 24 21.911 7.552 7.825 187 HG3 GLU 24 HG1 GLU 24 22.544 6.614 6.476 188 H LEU 25 HN LEU 25 21.431 5.701 10.792 189 HA LEU 25 HA LEU 25 22.851 8.051 11.351 190 HB2 LEU 25 HB2 LEU 25 20.742 7.438 12.453 191 HB3 LEU 25 HB1 LEU 25 21.544 6.113 13.271 192 HG LEU 25 HG LEU 25 22.948 7.754 14.490 193 HD11 LEU 25 HD11 LEU 25 22.888 9.584 12.901 194 HD12 LEU 25 HD12 LEU 25 22.291 10.114 14.473 195 HD13 LEU 25 HD13 LEU 25 21.154 9.782 13.166 196 HD21 LEU 25 HD21 LEU 25 20.921 6.862 15.505 197 HD22 LEU 25 HD22 LEU 25 19.970 8.148 14.762 198 HD23 LEU 25 HD23 LEU 25 21.177 8.539 15.985 199 H GLU 26 HN GLU 26 23.417 4.749 12.193 200 HA GLU 26 HA GLU 26 25.654 4.983 13.884 201 HB2 GLU 26 HB2 GLU 26 24.920 2.819 11.910 202 HB3 GLU 26 HB1 GLU 26 26.301 2.687 12.986 203 HG2 GLU 26 HG2 GLU 26 23.531 3.177 14.035 204 HG3 GLU 26 HG1 GLU 26 24.129 1.559 13.688 205 H ARG 27 HN ARG 27 25.415 4.955 10.389 206 HA ARG 27 HA ARG 27 28.256 5.138 9.950 207 HB2 ARG 27 HB2 ARG 27 25.896 5.448 8.093 208 HB3 ARG 27 HB1 ARG 27 27.555 5.670 7.579 209 HG2 ARG 27 HG2 ARG 27 28.096 3.407 8.125 210 HG3 ARG 27 HG1 ARG 27 26.490 3.151 8.808 211 HD2 ARG 27 HD2 ARG 27 25.458 3.225 6.729 212 HD3 ARG 27 HD1 ARG 27 26.818 4.055 5.975 213 HE ARG 27 HE ARG 27 27.791 2.048 5.565 214 HH11 ARG 27 HH11 ARG 27 25.276 1.553 7.971 215 HH12 ARG 27 HH12 ARG 27 25.353 -0.175 7.890 216 HH21 ARG 27 HH21 ARG 27 27.914 -0.247 5.469 217 HH22 ARG 27 HH22 ARG 27 26.861 -1.190 6.459 218 H LEU 28 HN LEU 28 25.577 7.354 10.136 219 HA LEU 28 HA LEU 28 26.863 9.626 9.064 220 HB2 LEU 28 HB2 LEU 28 24.429 9.542 9.400 221 HB3 LEU 28 HB1 LEU 28 24.653 9.511 11.138 222 HG LEU 28 HG LEU 28 25.644 11.776 11.013 223 HD11 LEU 28 HD11 LEU 28 24.777 11.651 8.132 224 HD12 LEU 28 HD12 LEU 28 26.440 11.695 8.712 225 HD13 LEU 28 HD13 LEU 28 25.378 13.078 8.975 226 HD21 LEU 28 HD21 LEU 28 23.284 11.447 11.541 227 HD22 LEU 28 HD22 LEU 28 22.890 11.502 9.823 228 HD23 LEU 28 HD23 LEU 28 23.535 12.934 10.626 229 H LYS 29 HN LYS 29 26.507 8.514 12.389 230 HA LYS 29 HA LYS 29 28.008 10.548 13.620 231 HB2 LYS 29 HB2 LYS 29 27.535 7.692 14.488 232 HB3 LYS 29 HB1 LYS 29 28.315 8.906 15.487 233 HG2 LYS 29 HG2 LYS 29 26.310 10.245 15.507 234 HG3 LYS 29 HG1 LYS 29 25.515 9.114 14.406 235 HD2 LYS 29 HD2 LYS 29 25.563 7.377 16.050 236 HD3 LYS 29 HD1 LYS 29 26.579 8.344 17.120 237 HE2 LYS 29 HE2 LYS 29 23.761 9.033 16.291 238 HE3 LYS 29 HE1 LYS 29 24.220 8.305 17.831 239 HZ1 LYS 29 HZ1 LYS 29 25.541 10.275 18.321 240 HZ2 LYS 29 HZ2 LYS 29 23.930 10.689 18.039 241 HZ3 LYS 29 HZ3 LYS 29 25.087 10.971 16.852 242 H SER 30 HN SER 30 29.055 7.220 12.796 243 HA SER 30 HA SER 30 31.713 7.523 13.454 244 HB2 SER 30 HB2 SER 30 32.080 5.647 11.761 245 HB3 SER 30 HB1 SER 30 30.929 5.330 13.059 246 HG SER 30 HG SER 30 29.325 5.332 11.671 247 H GLU 31 HN GLU 31 30.173 8.103 10.293 248 HA GLU 31 HA GLU 31 32.496 8.791 8.901 249 HB2 GLU 31 HB2 GLU 31 30.442 8.366 7.715 250 HB3 GLU 31 HB1 GLU 31 29.653 9.723 8.506 251 HG2 GLU 31 HG2 GLU 31 31.174 11.264 7.372 252 HG3 GLU 31 HG1 GLU 31 31.953 9.898 6.574 253 H ARG 32 HN ARG 32 30.162 10.913 10.563 254 HA ARG 32 HA ARG 32 31.447 13.320 10.036 255 HB2 ARG 32 HB2 ARG 32 29.144 12.926 11.076 256 HB3 ARG 32 HB1 ARG 32 29.989 12.782 12.612 257 HG2 ARG 32 HG2 ARG 32 30.945 15.054 12.213 258 HG3 ARG 32 HG1 ARG 32 29.892 15.184 10.803 259 HD2 ARG 32 HD2 ARG 32 29.101 14.919 13.691 260 HD3 ARG 32 HD1 ARG 32 28.794 16.274 12.611 261 HE ARG 32 HE ARG 32 27.483 13.636 12.466 262 HH11 ARG 32 HH11 ARG 32 27.511 17.063 11.688 263 HH12 ARG 32 HH12 ARG 32 25.857 17.089 11.190 264 HH21 ARG 32 HH21 ARG 32 25.299 13.679 11.808 265 HH22 ARG 32 HH22 ARG 32 24.596 15.154 11.241 266 H HIS 33 HN HIS 33 31.934 11.084 12.744 267 HA HIS 33 HA HIS 33 33.830 12.795 14.040 268 HB2 HIS 33 HB2 HIS 33 32.431 11.054 15.210 269 HB3 HIS 33 HB1 HIS 33 33.459 9.827 14.478 270 HD1 HIS 33 HD1 HIS 33 35.478 9.185 15.787 271 HD2 HIS 33 HD2 HIS 33 33.962 12.871 16.961 272 HE1 HIS 33 HE1 HIS 33 36.842 9.863 17.782 273 H ASP 34 HN ASP 34 33.994 10.299 11.650 274 HA ASP 34 HA ASP 34 36.888 10.050 11.835 275 HB2 ASP 34 HB2 ASP 34 35.432 8.094 11.235 276 HB3 ASP 34 HB1 ASP 34 35.025 8.907 9.728 277 H HIS 35 HN HIS 35 34.734 12.134 10.480 278 HA HIS 35 HA HIS 35 35.904 12.759 7.958 279 HB2 HIS 35 HB2 HIS 35 33.544 13.403 8.781 280 HB3 HIS 35 HB1 HIS 35 34.324 14.723 9.641 281 HD2 HIS 35 HD2 HIS 35 35.397 16.755 7.917 282 HE1 HIS 35 HE1 HIS 35 33.206 15.436 4.538 283 HE2 HIS 35 HE2 HIS 35 34.471 17.341 5.570 284 H ASP 36 HN ASP 36 37.022 13.238 11.054 285 HA ASP 36 HA ASP 36 38.462 15.683 10.624 286 HB2 ASP 36 HB2 ASP 36 38.716 13.572 12.782 287 HB3 ASP 36 HB1 ASP 36 39.690 15.031 12.725 288 H LYS 37 HN LYS 37 38.877 12.527 9.569 289 HA LYS 37 HA LYS 37 41.577 13.195 8.699 290 HB2 LYS 37 HB2 LYS 37 41.829 11.810 10.732 291 HB3 LYS 37 HB1 LYS 37 40.903 10.532 9.962 292 HG2 LYS 37 HG2 LYS 37 42.611 10.327 8.233 293 HG3 LYS 37 HG1 LYS 37 43.534 11.619 8.996 294 HD2 LYS 37 HD2 LYS 37 43.653 10.224 11.058 295 HD3 LYS 37 HD1 LYS 37 42.883 8.919 10.158 296 HE2 LYS 37 HE2 LYS 37 45.322 8.670 10.221 297 HE3 LYS 37 HE1 LYS 37 44.721 8.879 8.579 298 HZ1 LYS 37 HZ1 LYS 37 45.883 11.058 10.235 299 HZ2 LYS 37 HZ2 LYS 37 45.410 11.166 8.615 300 HZ3 LYS 37 HZ3 LYS 37 46.718 10.198 9.046 301 H LYS 38 HN LYS 38 38.977 10.752 8.461 302 HA LYS 38 HA LYS 38 39.504 10.669 5.570 303 HB2 LYS 38 HB2 LYS 38 38.675 8.380 7.369 304 HB3 LYS 38 HB1 LYS 38 38.757 8.298 5.616 305 HG2 LYS 38 HG2 LYS 38 41.159 8.689 5.686 306 HG3 LYS 38 HG1 LYS 38 41.092 8.844 7.443 307 HD2 LYS 38 HD2 LYS 38 40.302 6.538 7.613 308 HD3 LYS 38 HD1 LYS 38 40.365 6.380 5.858 309 HE2 LYS 38 HE2 LYS 38 42.716 6.958 7.659 310 HE3 LYS 38 HE1 LYS 38 42.317 5.380 6.982 311 HZ1 LYS 38 HZ1 LYS 38 43.994 6.399 5.657 312 HZ2 LYS 38 HZ2 LYS 38 43.093 7.815 5.476 313 HZ3 LYS 38 HZ3 LYS 38 42.563 6.379 4.751 314 H GLU 39 HN GLU 39 37.917 11.806 4.725 315 HA GLU 39 HA GLU 39 35.349 12.026 5.959 316 HB2 GLU 39 HB2 GLU 39 34.735 13.493 4.155 317 HB3 GLU 39 HB1 GLU 39 36.358 13.887 4.687 318 HG2 GLU 39 HG2 GLU 39 37.300 12.790 2.736 319 HG3 GLU 39 HG1 GLU 39 35.695 12.248 2.248 320 H ALA 40 HN ALA 40 36.608 10.161 3.274 321 HA ALA 40 HA ALA 40 34.110 8.642 3.206 322 HB1 ALA 40 HB1 ALA 40 33.856 10.393 1.523 323 HB2 ALA 40 HB2 ALA 40 33.938 8.790 0.794 324 HB3 ALA 40 HB3 ALA 40 35.341 9.856 0.737 325 H GLU 41 HN GLU 41 36.136 7.375 4.368 326 HA GLU 41 HA GLU 41 36.985 5.439 2.480 327 HB2 GLU 41 HB2 GLU 41 38.730 7.233 2.255 328 HB3 GLU 41 HB1 GLU 41 39.112 7.006 3.955 329 HG2 GLU 41 HG2 GLU 41 39.722 4.679 3.497 330 HG3 GLU 41 HG1 GLU 41 39.367 4.934 1.789 331 H ARG 42 HN ARG 42 35.844 4.070 3.764 332 HA ARG 42 HA ARG 42 37.113 3.274 6.201 333 HB2 ARG 42 HB2 ARG 42 34.215 4.030 5.884 334 HB3 ARG 42 HB1 ARG 42 34.740 2.899 7.120 335 HG2 ARG 42 HG2 ARG 42 35.923 4.525 8.277 336 HG3 ARG 42 HG1 ARG 42 35.977 5.609 6.886 337 HD2 ARG 42 HD2 ARG 42 33.467 4.854 8.367 338 HD3 ARG 42 HD1 ARG 42 34.400 6.319 8.670 339 HE ARG 42 HE ARG 42 32.727 5.743 6.361 340 HH11 ARG 42 HH11 ARG 42 35.174 7.824 7.795 341 HH12 ARG 42 HH12 ARG 42 34.782 9.189 6.817 342 HH21 ARG 42 HH21 ARG 42 32.212 7.559 5.022 343 HH22 ARG 42 HH22 ARG 42 33.086 9.038 5.223 344 H LYS 43 HN LYS 43 37.431 1.353 6.045 345 HA LYS 43 HA LYS 43 36.383 -0.379 4.000 346 HB2 LYS 43 HB2 LYS 43 38.237 -1.027 6.300 347 HB3 LYS 43 HB1 LYS 43 37.917 -2.057 4.915 348 HG2 LYS 43 HG2 LYS 43 38.931 -0.395 3.437 349 HG3 LYS 43 HG1 LYS 43 39.233 0.654 4.823 350 HD2 LYS 43 HD2 LYS 43 40.700 -1.018 5.795 351 HD3 LYS 43 HD1 LYS 43 40.348 -2.126 4.472 352 HE2 LYS 43 HE2 LYS 43 41.339 -0.545 2.888 353 HE3 LYS 43 HE1 LYS 43 41.693 0.560 4.216 354 HZ1 LYS 43 HZ1 LYS 43 42.793 -2.182 3.911 355 HZ2 LYS 43 HZ2 LYS 43 43.141 -1.118 5.174 356 HZ3 LYS 43 HZ3 LYS 43 43.631 -0.747 3.602 357 H ALA 44 HN ALA 44 35.602 0.352 7.224 358 HA ALA 44 HA ALA 44 34.501 -2.204 7.948 359 HB1 ALA 44 HB1 ALA 44 34.020 0.475 9.266 360 HB2 ALA 44 HB2 ALA 44 35.329 -0.640 9.669 361 HB3 ALA 44 HB3 ALA 44 33.653 -1.110 9.940 362 H LEU 45 HN LEU 45 33.213 0.772 6.566 363 HA LEU 45 HA LEU 45 30.491 -0.179 6.808 364 HB2 LEU 45 HB2 LEU 45 31.566 2.317 5.499 365 HB3 LEU 45 HB1 LEU 45 29.882 1.972 5.844 366 HG LEU 45 HG LEU 45 32.060 2.454 7.874 367 HD11 LEU 45 HD11 LEU 45 31.373 4.491 6.825 368 HD12 LEU 45 HD12 LEU 45 30.683 4.428 8.447 369 HD13 LEU 45 HD13 LEU 45 29.675 4.085 7.043 370 HD21 LEU 45 HD21 LEU 45 30.558 0.814 8.767 371 HD22 LEU 45 HD22 LEU 45 29.156 1.743 8.250 372 HD23 LEU 45 HD23 LEU 45 30.201 2.365 9.529 373 H GLU 46 HN GLU 46 33.009 -0.469 4.706 374 HA GLU 46 HA GLU 46 31.372 -0.633 2.273 375 HB2 GLU 46 HB2 GLU 46 33.672 0.429 2.204 376 HB3 GLU 46 HB1 GLU 46 34.342 -1.177 2.473 377 HG2 GLU 46 HG2 GLU 46 33.212 -1.943 0.409 378 HG3 GLU 46 HG1 GLU 46 32.682 -0.285 0.126 379 H ASP 47 HN ASP 47 32.767 -2.569 4.695 380 HA ASP 47 HA ASP 47 33.146 -5.021 3.400 381 HB2 ASP 47 HB2 ASP 47 34.054 -4.737 5.603 382 HB3 ASP 47 HB1 ASP 47 32.460 -4.439 6.290 383 H LYS 48 HN LYS 48 30.188 -3.647 4.783 384 HA LYS 48 HA LYS 48 28.764 -5.813 3.518 385 HB2 LYS 48 HB2 LYS 48 29.114 -6.461 5.886 386 HB3 LYS 48 HB1 LYS 48 28.297 -4.997 6.403 387 HG2 LYS 48 HG2 LYS 48 26.222 -5.765 5.465 388 HG3 LYS 48 HG1 LYS 48 27.016 -7.183 4.779 389 HD2 LYS 48 HD2 LYS 48 26.888 -6.586 7.735 390 HD3 LYS 48 HD1 LYS 48 25.750 -7.633 6.892 391 HE2 LYS 48 HE2 LYS 48 28.736 -8.046 7.038 392 HE3 LYS 48 HE1 LYS 48 27.542 -8.887 8.020 393 HZ1 LYS 48 HZ1 LYS 48 28.266 -10.189 6.113 394 HZ2 LYS 48 HZ2 LYS 48 27.682 -9.009 5.056 395 HZ3 LYS 48 HZ3 LYS 48 26.613 -9.863 6.049 396 H LEU 49 HN LEU 49 26.342 -5.168 3.133 397 HA LEU 49 HA LEU 49 26.213 -2.443 2.375 398 HB2 LEU 49 HB2 LEU 49 25.062 -4.358 1.183 399 HB3 LEU 49 HB1 LEU 49 23.928 -4.442 2.516 400 HG LEU 49 HG LEU 49 23.132 -3.286 0.414 401 HD11 LEU 49 HD11 LEU 49 23.042 -1.704 2.973 402 HD12 LEU 49 HD12 LEU 49 21.946 -3.003 2.501 403 HD13 LEU 49 HD13 LEU 49 21.963 -1.491 1.594 404 HD21 LEU 49 HD21 LEU 49 25.156 -2.058 -0.121 405 HD22 LEU 49 HD22 LEU 49 25.002 -1.124 1.366 406 HD23 LEU 49 HD23 LEU 49 23.799 -0.954 0.091 407 H ALA 50 HN ALA 50 24.141 -4.247 4.649 408 HA ALA 50 HA ALA 50 23.240 -1.772 5.815 409 HB1 ALA 50 HB1 ALA 50 21.713 -3.684 5.573 410 HB2 ALA 50 HB2 ALA 50 21.863 -3.174 7.254 411 HB3 ALA 50 HB3 ALA 50 22.711 -4.613 6.691 412 H ASP 51 HN ASP 51 25.463 -4.329 6.559 413 HA ASP 51 HA ASP 51 26.819 -4.816 8.333 414 HB2 ASP 51 HB2 ASP 51 28.013 -2.943 7.222 415 HB3 ASP 51 HB1 ASP 51 27.236 -1.825 8.340 416 H TYR 52 HN TYR 52 25.569 -5.622 9.942 417 HA TYR 52 HA TYR 52 24.188 -3.762 11.691 418 HB2 TYR 52 HB2 TYR 52 23.069 -5.796 10.645 419 HB3 TYR 52 HB1 TYR 52 24.095 -6.784 11.672 420 HD1 TYR 52 HD1 TYR 52 21.431 -4.210 11.718 421 HD2 TYR 52 HD2 TYR 52 23.494 -7.211 13.915 422 HE1 TYR 52 HE1 TYR 52 19.749 -4.053 13.499 423 HE2 TYR 52 HE2 TYR 52 21.818 -7.059 15.706 424 HH TYR 52 HH TYR 52 20.185 -5.368 16.556
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