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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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646202 |
6oky ![]() ![]() |
30600 | 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 37.122 -5.289 17.124 2 H2 GLY 1 HT2 GLY 1 38.537 -4.702 16.391 3 H3 GLY 1 HT3 GLY 1 37.204 -5.145 15.437 4 HA2 GLY 1 HA2 GLY 1 37.480 -2.705 15.712 5 HA3 GLY 1 HA1 GLY 1 35.911 -3.333 16.223 6 H SER 2 HN SER 2 37.440 -4.643 18.548 7 HA SER 2 HA SER 2 37.754 -4.183 20.778 8 HB2 SER 2 HB2 SER 2 38.933 -1.646 19.625 9 HB3 SER 2 HB1 SER 2 39.137 -2.194 21.285 10 HG SER 2 HG SER 2 40.347 -3.036 18.978 11 H VAL 3 HN VAL 3 35.231 -3.359 19.474 12 HA VAL 3 HA VAL 3 34.398 -0.849 20.500 13 HB VAL 3 HB VAL 3 32.797 -3.261 19.591 14 HG11 VAL 3 HG11 VAL 3 30.885 -1.575 19.568 15 HG12 VAL 3 HG12 VAL 3 31.893 -0.552 20.591 16 HG13 VAL 3 HG13 VAL 3 31.381 -2.139 21.163 17 HG21 VAL 3 HG21 VAL 3 33.448 -0.547 18.397 18 HG22 VAL 3 HG22 VAL 3 32.251 -1.651 17.725 19 HG23 VAL 3 HG23 VAL 3 33.946 -2.123 17.784 20 H GLU 4 HN GLU 4 34.212 -4.147 21.827 21 HA GLU 4 HA GLU 4 32.658 -3.445 24.098 22 HB2 GLU 4 HB2 GLU 4 33.317 -5.619 24.980 23 HB3 GLU 4 HB1 GLU 4 32.908 -5.766 23.273 24 HG2 GLU 4 HG2 GLU 4 35.341 -5.581 22.722 25 HG3 GLU 4 HG1 GLU 4 35.698 -5.581 24.448 26 H LYS 5 HN LYS 5 36.064 -3.253 23.376 27 HA LYS 5 HA LYS 5 36.965 -3.009 26.077 28 HB2 LYS 5 HB2 LYS 5 38.252 -2.198 23.458 29 HB3 LYS 5 HB1 LYS 5 39.046 -2.070 25.026 30 HG2 LYS 5 HG2 LYS 5 38.735 -4.489 25.392 31 HG3 LYS 5 HG1 LYS 5 37.942 -4.625 23.822 32 HD2 LYS 5 HD2 LYS 5 39.998 -3.835 22.711 33 HD3 LYS 5 HD1 LYS 5 40.793 -3.693 24.277 34 HE2 LYS 5 HE2 LYS 5 40.489 -6.110 24.656 35 HE3 LYS 5 HE1 LYS 5 39.686 -6.256 23.092 36 HZ1 LYS 5 HZ1 LYS 5 42.073 -4.928 22.642 37 HZ2 LYS 5 HZ2 LYS 5 41.671 -6.514 22.184 38 HZ3 LYS 5 HZ3 LYS 5 42.450 -6.226 23.666 39 H LEU 6 HN LEU 6 35.540 -0.822 23.800 40 HA LEU 6 HA LEU 6 36.311 1.538 25.389 41 HB2 LEU 6 HB2 LEU 6 34.878 1.262 22.738 42 HB3 LEU 6 HB1 LEU 6 35.071 2.796 23.576 43 HG LEU 6 HG LEU 6 37.404 1.004 22.806 44 HD11 LEU 6 HD11 LEU 6 36.337 1.721 20.766 45 HD12 LEU 6 HD12 LEU 6 37.765 2.729 21.004 46 HD13 LEU 6 HD13 LEU 6 36.164 3.367 21.377 47 HD21 LEU 6 HD21 LEU 6 38.523 3.394 23.032 48 HD22 LEU 6 HD22 LEU 6 38.223 2.432 24.473 49 HD23 LEU 6 HD23 LEU 6 37.122 3.741 24.045 50 H THR 7 HN THR 7 33.948 -0.774 25.443 51 HA THR 7 HA THR 7 31.868 -0.911 26.461 52 HB THR 7 HB THR 7 31.579 0.339 28.426 53 HG1 THR 7 HG1 THR 7 33.415 2.314 27.775 54 HG21 THR 7 HG21 THR 7 33.764 -0.976 28.257 55 HG22 THR 7 HG22 THR 7 33.705 0.270 29.503 56 HG23 THR 7 HG23 THR 7 34.561 0.575 27.993 57 H ALA 8 HN ALA 8 32.439 0.942 24.023 58 HA ALA 8 HA ALA 8 30.529 3.032 24.079 59 HB1 ALA 8 HB1 ALA 8 32.313 2.943 22.381 60 HB2 ALA 8 HB2 ALA 8 30.722 3.055 21.631 61 HB3 ALA 8 HB3 ALA 8 31.569 1.510 21.669 62 H ASP 9 HN ASP 9 30.208 -0.389 23.668 63 HA ASP 9 HA ASP 9 27.580 -0.236 22.436 64 HB2 ASP 9 HB2 ASP 9 27.612 -2.657 22.541 65 HB3 ASP 9 HB1 ASP 9 29.164 -2.086 21.934 66 H ALA 10 HN ALA 10 28.593 0.474 25.432 67 HA ALA 10 HA ALA 10 26.922 -1.028 27.138 68 HB1 ALA 10 HB1 ALA 10 28.633 0.215 28.210 69 HB2 ALA 10 HB2 ALA 10 27.125 0.982 28.700 70 HB3 ALA 10 HB3 ALA 10 28.128 1.731 27.461 71 H GLU 11 HN GLU 11 26.299 1.916 25.260 72 HA GLU 11 HA GLU 11 23.784 2.505 26.415 73 HB2 GLU 11 HB2 GLU 11 24.906 3.198 23.684 74 HB3 GLU 11 HB1 GLU 11 23.383 3.820 24.317 75 HG2 GLU 11 HG2 GLU 11 26.030 4.113 25.755 76 HG3 GLU 11 HG1 GLU 11 25.365 5.342 24.680 77 H LEU 12 HN LEU 12 24.769 0.354 23.800 78 HA LEU 12 HA LEU 12 22.177 -0.169 22.787 79 HB2 LEU 12 HB2 LEU 12 24.721 -1.811 22.681 80 HB3 LEU 12 HB1 LEU 12 23.228 -2.291 21.883 81 HG LEU 12 HG LEU 12 24.603 0.375 21.413 82 HD11 LEU 12 HD11 LEU 12 24.696 -2.155 19.744 83 HD12 LEU 12 HD12 LEU 12 26.029 -1.523 20.712 84 HD13 LEU 12 HD13 LEU 12 25.435 -0.609 19.326 85 HD21 LEU 12 HD21 LEU 12 23.143 0.018 19.212 86 HD22 LEU 12 HD22 LEU 12 22.415 0.690 20.664 87 HD23 LEU 12 HD23 LEU 12 22.183 -1.012 20.272 88 H GLN 13 HN GLN 13 24.009 -1.559 25.461 89 HA GLN 13 HA GLN 13 22.347 -3.807 25.882 90 HB2 GLN 13 HB2 GLN 13 24.155 -2.294 27.784 91 HB3 GLN 13 HB1 GLN 13 23.259 -3.737 28.248 92 HG2 GLN 13 HG2 GLN 13 24.380 -5.064 26.579 93 HG3 GLN 13 HG1 GLN 13 25.138 -3.639 25.874 94 HE21 GLN 13 HE21 GLN 13 26.486 -6.028 27.079 95 HE22 GLN 13 HE22 GLN 13 27.450 -5.416 28.336 96 H ARG 14 HN ARG 14 22.107 -0.453 27.006 97 HA ARG 14 HA ARG 14 20.039 -0.878 28.879 98 HB2 ARG 14 HB2 ARG 14 21.295 1.232 28.827 99 HB3 ARG 14 HB1 ARG 14 20.597 1.631 27.258 100 HG2 ARG 14 HG2 ARG 14 18.363 1.689 28.208 101 HG3 ARG 14 HG1 ARG 14 18.970 1.118 29.762 102 HD2 ARG 14 HD2 ARG 14 19.853 3.699 28.448 103 HD3 ARG 14 HD1 ARG 14 18.593 3.601 29.675 104 HE ARG 14 HE ARG 14 20.862 2.324 30.704 105 HH11 ARG 14 HH11 ARG 14 22.251 3.447 32.109 106 HH12 ARG 14 HH12 ARG 14 22.262 5.178 32.105 107 HH21 ARG 14 HH21 ARG 14 19.841 5.454 29.637 108 HH22 ARG 14 HH22 ARG 14 20.898 6.314 30.707 109 H LEU 15 HN LEU 15 19.967 -0.334 25.376 110 HA LEU 15 HA LEU 15 17.166 -0.003 25.155 111 HB2 LEU 15 HB2 LEU 15 19.211 -0.976 23.137 112 HB3 LEU 15 HB1 LEU 15 17.519 -0.677 22.752 113 HG LEU 15 HG LEU 15 19.368 1.397 23.968 114 HD11 LEU 15 HD11 LEU 15 18.526 0.980 21.085 115 HD12 LEU 15 HD12 LEU 15 20.153 0.769 21.734 116 HD13 LEU 15 HD13 LEU 15 19.422 2.374 21.687 117 HD21 LEU 15 HD21 LEU 15 17.442 2.852 22.824 118 HD22 LEU 15 HD22 LEU 15 17.223 2.184 24.437 119 HD23 LEU 15 HD23 LEU 15 16.500 1.378 23.046 120 H LYS 16 HN LYS 16 19.228 -2.865 25.273 121 HA LYS 16 HA LYS 16 17.303 -4.747 24.434 122 HB2 LYS 16 HB2 LYS 16 19.724 -5.057 26.233 123 HB3 LYS 16 HB1 LYS 16 18.719 -6.406 25.706 124 HG2 LYS 16 HG2 LYS 16 19.155 -5.826 23.353 125 HG3 LYS 16 HG1 LYS 16 20.148 -4.463 23.869 126 HD2 LYS 16 HD2 LYS 16 21.682 -6.010 25.026 127 HD3 LYS 16 HD1 LYS 16 20.691 -7.376 24.515 128 HE2 LYS 16 HE2 LYS 16 21.116 -6.813 22.154 129 HE3 LYS 16 HE1 LYS 16 22.099 -5.438 22.656 130 HZ1 LYS 16 HZ1 LYS 16 23.760 -6.918 22.533 131 HZ2 LYS 16 HZ2 LYS 16 22.729 -8.263 22.657 132 HZ3 LYS 16 HZ3 LYS 16 23.209 -7.427 24.055 133 H ASN 17 HN ASN 17 17.947 -3.299 27.601 134 HA ASN 17 HA ASN 17 16.329 -5.038 29.121 135 HB2 ASN 17 HB2 ASN 17 17.149 -2.160 29.591 136 HB3 ASN 17 HB1 ASN 17 16.192 -3.090 30.740 137 HD21 ASN 17 HD21 ASN 17 18.867 -2.127 31.314 138 HD22 ASN 17 HD22 ASN 17 19.864 -3.487 31.510 139 H GLU 18 HN GLU 18 15.558 -2.150 27.224 140 HA GLU 18 HA GLU 18 12.913 -1.819 28.162 141 HB2 GLU 18 HB2 GLU 18 14.177 -1.031 25.518 142 HB3 GLU 18 HB1 GLU 18 12.553 -0.563 26.020 143 HG2 GLU 18 HG2 GLU 18 15.033 0.005 27.661 144 HG3 GLU 18 HG1 GLU 18 14.337 1.152 26.519 145 H ARG 19 HN ARG 19 14.301 -3.875 25.642 146 HA ARG 19 HA ARG 19 11.845 -4.652 24.449 147 HB2 ARG 19 HB2 ARG 19 14.525 -6.059 24.580 148 HB3 ARG 19 HB1 ARG 19 13.164 -6.611 23.605 149 HG2 ARG 19 HG2 ARG 19 13.141 -4.465 22.396 150 HG3 ARG 19 HG1 ARG 19 14.494 -3.895 23.376 151 HD2 ARG 19 HD2 ARG 19 15.886 -5.748 22.526 152 HD3 ARG 19 HD1 ARG 19 14.538 -6.310 21.544 153 HE ARG 19 HE ARG 19 15.032 -3.608 20.916 154 HH11 ARG 19 HH11 ARG 19 16.202 -3.118 19.031 155 HH12 ARG 19 HH12 ARG 19 17.215 -4.322 18.310 156 HH21 ARG 19 HH21 ARG 19 16.479 -6.743 20.681 157 HH22 ARG 19 HH22 ARG 19 17.372 -6.374 19.244 158 H HIS 20 HN HIS 20 10.516 -6.402 24.814 159 HA HIS 20 HA HIS 20 11.101 -8.326 26.884 160 HB2 HIS 20 HB2 HIS 20 10.261 -6.280 28.120 161 HB3 HIS 20 HB1 HIS 20 8.717 -6.509 27.298 162 HD2 HIS 20 HD2 HIS 20 10.717 -8.031 30.265 163 HE1 HIS 20 HE1 HIS 20 7.226 -10.355 29.783 164 HE2 HIS 20 HE2 HIS 20 9.222 -9.911 31.288 165 H GLU 21 HN GLU 21 8.960 -9.769 27.209 166 HA GLU 21 HA GLU 21 8.256 -10.731 24.643 167 HB2 GLU 21 HB2 GLU 21 7.067 -11.297 27.373 168 HB3 GLU 21 HB1 GLU 21 6.508 -12.076 25.897 169 HG2 GLU 21 HG2 GLU 21 8.684 -13.030 25.487 170 HG3 GLU 21 HG1 GLU 21 9.397 -12.104 26.804 171 H GLU 22 HN GLU 22 6.664 -8.516 26.885 172 HA GLU 22 HA GLU 22 4.183 -8.391 25.529 173 HB2 GLU 22 HB2 GLU 22 4.450 -7.536 27.829 174 HB3 GLU 22 HB1 GLU 22 5.485 -6.239 27.236 175 HG2 GLU 22 HG2 GLU 22 3.650 -5.379 25.851 176 HG3 GLU 22 HG1 GLU 22 2.614 -6.704 26.380 177 H ALA 23 HN ALA 23 7.240 -6.655 25.092 178 HA ALA 23 HA ALA 23 6.280 -4.706 23.291 179 HB1 ALA 23 HB1 ALA 23 8.688 -4.622 22.475 180 HB2 ALA 23 HB2 ALA 23 9.046 -5.889 23.645 181 HB3 ALA 23 HB3 ALA 23 8.446 -4.325 24.194 182 H GLU 24 HN GLU 24 7.358 -8.042 22.775 183 HA GLU 24 HA GLU 24 7.427 -7.915 19.946 184 HB2 GLU 24 HB2 GLU 24 7.064 -10.264 21.823 185 HB3 GLU 24 HB1 GLU 24 7.142 -10.432 20.071 186 HG2 GLU 24 HG2 GLU 24 9.356 -9.476 20.005 187 HG3 GLU 24 HG1 GLU 24 9.280 -9.049 21.712 188 H LEU 25 HN LEU 25 4.813 -8.545 22.240 189 HA LEU 25 HA LEU 25 2.919 -9.204 20.142 190 HB2 LEU 25 HB2 LEU 25 2.504 -8.651 23.093 191 HB3 LEU 25 HB1 LEU 25 1.252 -9.199 21.984 192 HG LEU 25 HG LEU 25 3.824 -10.711 22.556 193 HD11 LEU 25 HD11 LEU 25 1.005 -11.033 23.610 194 HD12 LEU 25 HD12 LEU 25 2.472 -10.741 24.543 195 HD13 LEU 25 HD13 LEU 25 2.234 -12.290 23.735 196 HD21 LEU 25 HD21 LEU 25 1.443 -11.186 20.769 197 HD22 LEU 25 HD22 LEU 25 2.253 -12.572 21.497 198 HD23 LEU 25 HD23 LEU 25 3.152 -11.480 20.451 199 H GLU 26 HN GLU 26 4.151 -6.371 21.579 200 HA GLU 26 HA GLU 26 1.899 -4.675 21.383 201 HB2 GLU 26 HB2 GLU 26 3.907 -4.024 22.657 202 HB3 GLU 26 HB1 GLU 26 4.829 -3.897 21.160 203 HG2 GLU 26 HG2 GLU 26 3.316 -2.143 20.352 204 HG3 GLU 26 HG1 GLU 26 2.335 -2.299 21.808 205 H ARG 27 HN ARG 27 4.357 -5.615 19.007 206 HA ARG 27 HA ARG 27 3.633 -3.750 17.017 207 HB2 ARG 27 HB2 ARG 27 5.734 -5.016 16.878 208 HB3 ARG 27 HB1 ARG 27 4.836 -6.513 16.631 209 HG2 ARG 27 HG2 ARG 27 3.896 -5.663 14.553 210 HG3 ARG 27 HG1 ARG 27 4.643 -4.087 14.826 211 HD2 ARG 27 HD2 ARG 27 6.872 -5.096 14.694 212 HD3 ARG 27 HD1 ARG 27 6.156 -6.692 14.494 213 HE ARG 27 HE ARG 27 5.701 -6.163 12.269 214 HH11 ARG 27 HH11 ARG 27 5.877 -4.822 10.443 215 HH12 ARG 27 HH12 ARG 27 6.319 -3.159 10.636 216 HH21 ARG 27 HH21 ARG 27 6.582 -3.353 14.088 217 HH22 ARG 27 HH22 ARG 27 6.718 -2.327 12.700 218 H LEU 28 HN LEU 28 2.335 -6.951 17.815 219 HA LEU 28 HA LEU 28 0.698 -7.201 15.522 220 HB2 LEU 28 HB2 LEU 28 0.495 -8.443 18.277 221 HB3 LEU 28 HB1 LEU 28 -0.668 -8.779 17.000 222 HG LEU 28 HG LEU 28 1.176 -10.462 17.137 223 HD11 LEU 28 HD11 LEU 28 -0.045 -9.608 14.922 224 HD12 LEU 28 HD12 LEU 28 1.273 -10.772 14.851 225 HD13 LEU 28 HD13 LEU 28 1.586 -9.073 14.508 226 HD21 LEU 28 HD21 LEU 28 3.426 -9.906 16.662 227 HD22 LEU 28 HD22 LEU 28 2.893 -8.642 17.766 228 HD23 LEU 28 HD23 LEU 28 2.994 -8.318 16.035 229 H LYS 29 HN LYS 29 0.184 -5.624 18.648 230 HA LYS 29 HA LYS 29 -2.585 -4.984 17.998 231 HB2 LYS 29 HB2 LYS 29 -0.835 -4.200 20.345 232 HB3 LYS 29 HB1 LYS 29 -2.533 -3.760 20.167 233 HG2 LYS 29 HG2 LYS 29 -3.153 -6.144 20.067 234 HG3 LYS 29 HG1 LYS 29 -1.457 -6.595 20.247 235 HD2 LYS 29 HD2 LYS 29 -1.387 -5.429 22.432 236 HD3 LYS 29 HD1 LYS 29 -3.097 -5.028 22.259 237 HE2 LYS 29 HE2 LYS 29 -1.972 -7.844 22.301 238 HE3 LYS 29 HE1 LYS 29 -2.755 -7.048 23.667 239 HZ1 LYS 29 HZ1 LYS 29 -4.534 -8.104 22.770 240 HZ2 LYS 29 HZ2 LYS 29 -3.919 -8.066 21.185 241 HZ3 LYS 29 HZ3 LYS 29 -4.615 -6.673 21.864 242 H SER 30 HN SER 30 0.500 -3.627 17.450 243 HA SER 30 HA SER 30 -0.158 -0.866 17.515 244 HB2 SER 30 HB2 SER 30 1.889 -0.519 16.277 245 HB3 SER 30 HB1 SER 30 2.174 -1.767 17.485 246 HG SER 30 HG SER 30 1.276 -2.513 14.940 247 H GLU 31 HN GLU 31 -0.874 -3.386 15.286 248 HA GLU 31 HA GLU 31 -1.147 -1.884 12.911 249 HB2 GLU 31 HB2 GLU 31 -1.133 -4.344 12.903 250 HB3 GLU 31 HB1 GLU 31 -2.694 -4.366 13.717 251 HG2 GLU 31 HG2 GLU 31 -3.720 -3.182 11.828 252 HG3 GLU 31 HG1 GLU 31 -2.153 -3.083 11.026 253 H ALA 32 HN ALA 32 -3.402 -2.479 15.596 254 HA ALA 32 HA ALA 32 -5.568 -1.061 14.282 255 HB1 ALA 32 HB1 ALA 32 -5.949 -2.961 15.886 256 HB2 ALA 32 HB2 ALA 32 -6.843 -1.494 16.272 257 HB3 ALA 32 HB3 ALA 32 -5.392 -1.905 17.186 258 H ALA 33 HN ALA 33 -2.890 -0.270 16.307 259 HA ALA 33 HA ALA 33 -4.066 2.258 17.226 260 HB1 ALA 33 HB1 ALA 33 -1.240 1.288 17.683 261 HB2 ALA 33 HB2 ALA 33 -2.598 0.804 18.701 262 HB3 ALA 33 HB3 ALA 33 -2.135 2.501 18.597 263 H ASP 34 HN ASP 34 -2.558 1.205 14.464 264 HA ASP 34 HA ASP 34 -0.870 3.504 13.984 265 HB2 ASP 34 HB2 ASP 34 -0.473 2.513 11.812 266 HB3 ASP 34 HB1 ASP 34 -0.372 1.256 13.042 267 H HIS 35 HN HIS 35 -4.123 3.199 14.092 268 HA HIS 35 HA HIS 35 -4.674 4.917 11.753 269 HB2 HIS 35 HB2 HIS 35 -6.565 3.533 13.674 270 HB3 HIS 35 HB1 HIS 35 -7.042 4.476 12.261 271 HD2 HIS 35 HD2 HIS 35 -6.138 0.868 13.087 272 HE1 HIS 35 HE1 HIS 35 -5.649 1.245 8.911 273 HE2 HIS 35 HE2 HIS 35 -5.780 -0.406 10.835 274 H ASP 36 HN ASP 36 -3.636 5.358 14.784 275 HA ASP 36 HA ASP 36 -5.418 7.242 15.898 276 HB2 ASP 36 HB2 ASP 36 -2.444 6.833 16.301 277 HB3 ASP 36 HB1 ASP 36 -3.381 8.032 17.189 278 H LYS 37 HN LYS 37 -2.773 7.588 13.572 279 HA LYS 37 HA LYS 37 -2.636 10.407 13.618 280 HB2 LYS 37 HB2 LYS 37 -0.900 9.017 12.555 281 HB3 LYS 37 HB1 LYS 37 -2.020 8.571 11.275 282 HG2 LYS 37 HG2 LYS 37 -2.265 10.958 10.659 283 HG3 LYS 37 HG1 LYS 37 -1.125 11.395 11.927 284 HD2 LYS 37 HD2 LYS 37 -0.361 9.417 9.781 285 HD3 LYS 37 HD1 LYS 37 -0.236 11.149 9.493 286 HE2 LYS 37 HE2 LYS 37 1.125 9.637 11.749 287 HE3 LYS 37 HE1 LYS 37 1.906 10.246 10.297 288 HZ1 LYS 37 HZ1 LYS 37 0.688 11.795 12.498 289 HZ2 LYS 37 HZ2 LYS 37 1.002 12.489 10.979 290 HZ3 LYS 37 HZ3 LYS 37 2.279 11.865 11.912 291 H LYS 38 HN LYS 38 -4.732 8.186 11.809 292 HA LYS 38 HA LYS 38 -5.864 10.126 10.103 293 HB2 LYS 38 HB2 LYS 38 -6.948 7.476 11.105 294 HB3 LYS 38 HB1 LYS 38 -7.804 8.489 9.951 295 HG2 LYS 38 HG2 LYS 38 -4.926 7.780 9.420 296 HG3 LYS 38 HG1 LYS 38 -6.174 6.582 9.097 297 HD2 LYS 38 HD2 LYS 38 -6.470 9.384 8.020 298 HD3 LYS 38 HD1 LYS 38 -5.453 8.220 7.180 299 HE2 LYS 38 HE2 LYS 38 -7.398 6.646 7.105 300 HE3 LYS 38 HE1 LYS 38 -8.405 7.904 7.820 301 HZ1 LYS 38 HZ1 LYS 38 -6.855 8.297 5.328 302 HZ2 LYS 38 HZ2 LYS 38 -8.075 9.295 5.964 303 HZ3 LYS 38 HZ3 LYS 38 -8.464 7.762 5.341 304 H GLU 39 HN GLU 39 -6.660 9.136 13.405 305 HA GLU 39 HA GLU 39 -9.124 10.527 13.575 306 HB2 GLU 39 HB2 GLU 39 -7.165 9.722 15.748 307 HB3 GLU 39 HB1 GLU 39 -8.778 10.368 16.044 308 HG2 GLU 39 HG2 GLU 39 -8.245 7.907 14.364 309 HG3 GLU 39 HG1 GLU 39 -8.655 7.851 16.078 310 H ALA 40 HN ALA 40 -5.787 11.531 13.874 311 HA ALA 40 HA ALA 40 -6.209 13.978 15.235 312 HB1 ALA 40 HB1 ALA 40 -4.034 13.294 13.229 313 HB2 ALA 40 HB2 ALA 40 -3.957 13.016 14.971 314 HB3 ALA 40 HB3 ALA 40 -4.022 14.661 14.341 315 H GLU 41 HN GLU 41 -6.785 13.000 11.960 316 HA GLU 41 HA GLU 41 -6.734 15.534 10.715 317 HB2 GLU 41 HB2 GLU 41 -6.773 13.441 9.411 318 HB3 GLU 41 HB1 GLU 41 -8.422 13.126 9.948 319 HG2 GLU 41 HG2 GLU 41 -9.188 15.201 8.887 320 HG3 GLU 41 HG1 GLU 41 -7.537 15.576 8.398 321 H ARG 42 HN ARG 42 -9.278 13.845 12.515 322 HA ARG 42 HA ARG 42 -11.387 15.600 11.863 323 HB2 ARG 42 HB2 ARG 42 -11.811 13.430 12.930 324 HB3 ARG 42 HB1 ARG 42 -11.029 13.982 14.410 325 HG2 ARG 42 HG2 ARG 42 -12.702 15.722 14.705 326 HG3 ARG 42 HG1 ARG 42 -13.436 15.325 13.149 327 HD2 ARG 42 HD2 ARG 42 -14.727 14.301 14.954 328 HD3 ARG 42 HD1 ARG 42 -13.944 13.048 13.996 329 HE ARG 42 HE ARG 42 -12.304 13.805 16.205 330 HH11 ARG 42 HH11 ARG 42 -12.165 12.351 17.943 331 HH12 ARG 42 HH12 ARG 42 -13.361 11.111 18.125 332 HH21 ARG 42 HH21 ARG 42 -15.153 12.059 15.311 333 HH22 ARG 42 HH22 ARG 42 -15.053 10.946 16.635 334 H LYS 43 HN LYS 43 -8.882 15.766 14.368 335 HA LYS 43 HA LYS 43 -9.987 17.986 15.761 336 HB2 LYS 43 HB2 LYS 43 -7.151 16.933 15.608 337 HB3 LYS 43 HB1 LYS 43 -7.665 18.234 16.680 338 HG2 LYS 43 HG2 LYS 43 -9.323 16.740 17.722 339 HG3 LYS 43 HG1 LYS 43 -8.821 15.432 16.651 340 HD2 LYS 43 HD2 LYS 43 -6.541 15.535 17.587 341 HD3 LYS 43 HD1 LYS 43 -7.039 16.843 18.659 342 HE2 LYS 43 HE2 LYS 43 -8.700 15.357 19.712 343 HE3 LYS 43 HE1 LYS 43 -8.213 14.048 18.636 344 HZ1 LYS 43 HZ1 LYS 43 -7.156 13.989 20.864 345 HZ2 LYS 43 HZ2 LYS 43 -6.358 15.441 20.484 346 HZ3 LYS 43 HZ3 LYS 43 -6.049 14.036 19.581 347 H ALA 44 HN ALA 44 -8.187 17.703 12.818 348 HA ALA 44 HA ALA 44 -7.010 20.268 12.722 349 HB1 ALA 44 HB1 ALA 44 -6.860 19.950 10.303 350 HB2 ALA 44 HB2 ALA 44 -8.002 18.611 10.382 351 HB3 ALA 44 HB3 ALA 44 -6.413 18.461 11.136 352 H LEU 45 HN LEU 45 -10.287 19.239 12.329 353 HA LEU 45 HA LEU 45 -11.246 21.421 10.790 354 HB2 LEU 45 HB2 LEU 45 -12.682 19.607 12.749 355 HB3 LEU 45 HB1 LEU 45 -13.486 20.779 11.709 356 HG LEU 45 HG LEU 45 -11.697 18.550 10.695 357 HD11 LEU 45 HD11 LEU 45 -14.723 18.732 10.796 358 HD12 LEU 45 HD12 LEU 45 -13.723 17.653 11.768 359 HD13 LEU 45 HD13 LEU 45 -13.801 17.446 10.018 360 HD21 LEU 45 HD21 LEU 45 -11.722 20.107 8.958 361 HD22 LEU 45 HD22 LEU 45 -13.309 20.738 9.396 362 HD23 LEU 45 HD23 LEU 45 -13.172 19.188 8.566 363 H GLU 46 HN GLU 46 -10.520 21.021 14.184 364 HA GLU 46 HA GLU 46 -12.022 23.185 15.192 365 HB2 GLU 46 HB2 GLU 46 -9.482 21.886 16.214 366 HB3 GLU 46 HB1 GLU 46 -10.340 23.160 17.079 367 HG2 GLU 46 HG2 GLU 46 -12.344 21.812 17.209 368 HG3 GLU 46 HG1 GLU 46 -11.627 20.573 16.179 369 H ASP 47 HN ASP 47 -8.822 23.038 13.688 370 HA ASP 47 HA ASP 47 -7.994 25.652 14.345 371 HB2 ASP 47 HB2 ASP 47 -7.247 23.851 12.026 372 HB3 ASP 47 HB1 ASP 47 -6.518 25.431 12.292 373 H LYS 48 HN LYS 48 -10.025 24.416 11.722 374 HA LYS 48 HA LYS 48 -11.218 25.519 10.064 375 HB2 LYS 48 HB2 LYS 48 -12.227 26.274 12.343 376 HB3 LYS 48 HB1 LYS 48 -11.433 27.811 12.014 377 HG2 LYS 48 HG2 LYS 48 -12.632 28.005 9.882 378 HG3 LYS 48 HG1 LYS 48 -13.379 26.429 10.141 379 HD2 LYS 48 HD2 LYS 48 -14.377 27.339 12.267 380 HD3 LYS 48 HD1 LYS 48 -13.773 28.930 11.805 381 HE2 LYS 48 HE2 LYS 48 -15.648 27.233 10.131 382 HE3 LYS 48 HE1 LYS 48 -16.141 28.605 11.121 383 HZ1 LYS 48 HZ1 LYS 48 -14.175 29.697 9.708 384 HZ2 LYS 48 HZ2 LYS 48 -15.801 29.719 9.215 385 HZ3 LYS 48 HZ3 LYS 48 -14.732 28.559 8.581 386 H LEU 49 HN LEU 49 -8.320 25.925 10.074 387 HA LEU 49 HA LEU 49 -6.723 27.242 9.023 388 HB2 LEU 49 HB2 LEU 49 -9.140 28.466 7.668 389 HB3 LEU 49 HB1 LEU 49 -7.474 28.510 7.092 390 HG LEU 49 HG LEU 49 -9.125 25.994 7.485 391 HD11 LEU 49 HD11 LEU 49 -9.940 27.268 5.585 392 HD12 LEU 49 HD12 LEU 49 -9.001 25.903 4.978 393 HD13 LEU 49 HD13 LEU 49 -8.295 27.519 4.998 394 HD21 LEU 49 HD21 LEU 49 -6.270 26.520 6.657 395 HD22 LEU 49 HD22 LEU 49 -7.118 25.106 6.034 396 HD23 LEU 49 HD23 LEU 49 -6.897 25.302 7.769 397 H ALA 50 HN ALA 50 -7.972 28.164 11.546 398 HA ALA 50 HA ALA 50 -8.401 30.954 11.494 399 HB1 ALA 50 HB1 ALA 50 -7.383 29.229 13.777 400 HB2 ALA 50 HB2 ALA 50 -9.065 29.640 13.439 401 HB3 ALA 50 HB3 ALA 50 -7.933 30.898 13.929 402 H ASP 51 HN ASP 51 -5.467 29.039 11.538 403 HA ASP 51 HA ASP 51 -3.767 31.312 12.162 404 HB2 ASP 51 HB2 ASP 51 -1.932 29.746 11.920 405 HB3 ASP 51 HB1 ASP 51 -3.201 29.001 12.889 406 H TYR 52 HN TYR 52 -5.483 30.531 9.509 407 HA TYR 52 HA TYR 52 -5.257 30.890 7.218 408 HB2 TYR 52 HB2 TYR 52 -5.353 33.185 8.012 409 HB3 TYR 52 HB1 TYR 52 -3.625 33.170 8.364 410 HD1 TYR 52 HD1 TYR 52 -6.106 32.834 5.596 411 HD2 TYR 52 HD2 TYR 52 -2.030 33.658 6.676 412 HE1 TYR 52 HE1 TYR 52 -5.626 33.515 3.262 413 HE2 TYR 52 HE2 TYR 52 -1.552 34.339 4.340 414 HH TYR 52 HH TYR 52 -2.717 33.687 1.961 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 28.775 -32.641 12.777 2 H2 GLY 1 HT2 GLY 1 27.801 -32.640 11.385 3 H3 GLY 1 HT3 GLY 1 27.348 -33.558 12.743 4 HA2 GLY 1 HA2 GLY 1 27.693 -30.657 13.041 5 HA3 GLY 1 HA1 GLY 1 26.221 -31.275 12.287 6 H SER 2 HN SER 2 25.120 -33.081 13.508 7 HA SER 2 HA SER 2 23.983 -33.750 15.392 8 HB2 SER 2 HB2 SER 2 26.695 -33.302 16.659 9 HB3 SER 2 HB1 SER 2 25.366 -34.205 17.378 10 HG SER 2 HG SER 2 25.475 -35.629 15.606 11 H VAL 3 HN VAL 3 23.879 -30.935 14.703 12 HA VAL 3 HA VAL 3 24.262 -29.209 16.873 13 HB VAL 3 HB VAL 3 23.644 -28.543 14.507 14 HG11 VAL 3 HG11 VAL 3 20.782 -28.880 15.411 15 HG12 VAL 3 HG12 VAL 3 21.606 -30.168 14.543 16 HG13 VAL 3 HG13 VAL 3 21.396 -28.593 13.786 17 HG21 VAL 3 HG21 VAL 3 23.684 -26.934 16.366 18 HG22 VAL 3 HG22 VAL 3 22.030 -27.373 16.795 19 HG23 VAL 3 HG23 VAL 3 22.360 -26.565 15.262 20 H GLU 4 HN GLU 4 21.570 -31.354 16.104 21 HA GLU 4 HA GLU 4 19.784 -32.101 17.374 22 HB2 GLU 4 HB2 GLU 4 21.730 -32.577 18.937 23 HB3 GLU 4 HB1 GLU 4 21.329 -31.070 19.759 24 HG2 GLU 4 HG2 GLU 4 19.107 -31.891 20.294 25 HG3 GLU 4 HG1 GLU 4 19.368 -33.343 19.331 26 H LYS 5 HN LYS 5 20.643 -28.872 17.195 27 HA LYS 5 HA LYS 5 19.489 -26.884 17.544 28 HB2 LYS 5 HB2 LYS 5 17.062 -28.692 17.712 29 HB3 LYS 5 HB1 LYS 5 17.086 -26.981 17.302 30 HG2 LYS 5 HG2 LYS 5 18.465 -29.129 15.665 31 HG3 LYS 5 HG1 LYS 5 16.855 -28.508 15.314 32 HD2 LYS 5 HD2 LYS 5 17.867 -26.197 15.165 33 HD3 LYS 5 HD1 LYS 5 19.457 -26.951 15.289 34 HE2 LYS 5 HE2 LYS 5 18.988 -28.306 13.290 35 HE3 LYS 5 HE1 LYS 5 17.398 -27.556 13.153 36 HZ1 LYS 5 HZ1 LYS 5 19.944 -26.035 13.137 37 HZ2 LYS 5 HZ2 LYS 5 18.390 -25.446 12.784 38 HZ3 LYS 5 HZ3 LYS 5 19.146 -26.543 11.730 39 H LEU 6 HN LEU 6 20.598 -28.223 19.849 40 HA LEU 6 HA LEU 6 18.768 -28.293 21.999 41 HB2 LEU 6 HB2 LEU 6 20.959 -29.369 22.183 42 HB3 LEU 6 HB1 LEU 6 21.769 -27.810 22.081 43 HG LEU 6 HG LEU 6 20.644 -27.093 24.170 44 HD11 LEU 6 HD11 LEU 6 19.350 -29.802 23.876 45 HD12 LEU 6 HD12 LEU 6 18.614 -28.257 24.309 46 HD13 LEU 6 HD13 LEU 6 19.597 -29.121 25.486 47 HD21 LEU 6 HD21 LEU 6 21.972 -28.449 25.659 48 HD22 LEU 6 HD22 LEU 6 22.864 -28.308 24.143 49 HD23 LEU 6 HD23 LEU 6 21.982 -29.791 24.513 50 H THR 7 HN THR 7 20.725 -25.661 20.647 51 HA THR 7 HA THR 7 20.730 -23.386 21.086 52 HB THR 7 HB THR 7 17.856 -23.785 21.915 53 HG1 THR 7 HG1 THR 7 17.336 -24.037 19.840 54 HG21 THR 7 HG21 THR 7 17.554 -21.578 21.090 55 HG22 THR 7 HG22 THR 7 19.103 -21.598 20.247 56 HG23 THR 7 HG23 THR 7 19.057 -21.518 22.009 57 H ALA 8 HN ALA 8 21.955 -24.557 23.101 58 HA ALA 8 HA ALA 8 20.780 -24.292 25.667 59 HB1 ALA 8 HB1 ALA 8 22.810 -25.639 25.318 60 HB2 ALA 8 HB2 ALA 8 23.077 -24.405 26.549 61 HB3 ALA 8 HB3 ALA 8 23.724 -24.180 24.925 62 H ASP 9 HN ASP 9 22.217 -21.994 23.496 63 HA ASP 9 HA ASP 9 22.867 -19.967 25.349 64 HB2 ASP 9 HB2 ASP 9 23.638 -19.926 22.994 65 HB3 ASP 9 HB1 ASP 9 21.989 -19.598 22.465 66 H ALA 10 HN ALA 10 19.817 -20.816 23.772 67 HA ALA 10 HA ALA 10 18.382 -18.496 24.476 68 HB1 ALA 10 HB1 ALA 10 17.363 -19.926 22.869 69 HB2 ALA 10 HB2 ALA 10 16.334 -19.994 24.297 70 HB3 ALA 10 HB3 ALA 10 17.433 -21.325 23.941 71 H GLU 11 HN GLU 11 19.071 -21.455 26.302 72 HA GLU 11 HA GLU 11 17.272 -20.957 28.425 73 HB2 GLU 11 HB2 GLU 11 18.332 -23.162 28.110 74 HB3 GLU 11 HB1 GLU 11 19.900 -22.480 28.538 75 HG2 GLU 11 HG2 GLU 11 19.055 -21.877 30.761 76 HG3 GLU 11 HG1 GLU 11 17.458 -22.487 30.333 77 H LEU 12 HN LEU 12 20.594 -19.870 27.837 78 HA LEU 12 HA LEU 12 20.990 -18.713 30.401 79 HB2 LEU 12 HB2 LEU 12 22.304 -18.135 27.732 80 HB3 LEU 12 HB1 LEU 12 22.778 -17.351 29.232 81 HG LEU 12 HG LEU 12 22.717 -20.361 28.857 82 HD11 LEU 12 HD11 LEU 12 25.094 -18.484 28.754 83 HD12 LEU 12 HD12 LEU 12 24.350 -19.238 27.344 84 HD13 LEU 12 HD13 LEU 12 25.133 -20.238 28.568 85 HD21 LEU 12 HD21 LEU 12 23.547 -18.501 31.078 86 HD22 LEU 12 HD22 LEU 12 24.432 -20.010 30.866 87 HD23 LEU 12 HD23 LEU 12 22.701 -20.047 31.171 88 H GLN 13 HN GLN 13 19.503 -17.532 27.437 89 HA GLN 13 HA GLN 13 19.363 -14.800 28.204 90 HB2 GLN 13 HB2 GLN 13 17.699 -16.403 26.240 91 HB3 GLN 13 HB1 GLN 13 17.525 -14.667 26.476 92 HG2 GLN 13 HG2 GLN 13 20.106 -16.044 25.664 93 HG3 GLN 13 HG1 GLN 13 19.015 -15.217 24.560 94 HE21 GLN 13 HE21 GLN 13 21.897 -14.679 25.873 95 HE22 GLN 13 HE22 GLN 13 21.806 -13.017 26.208 96 H ARG 14 HN ARG 14 17.421 -17.595 28.980 97 HA ARG 14 HA ARG 14 15.080 -16.259 29.810 98 HB2 ARG 14 HB2 ARG 14 16.249 -18.916 30.679 99 HB3 ARG 14 HB1 ARG 14 14.680 -18.317 31.216 100 HG2 ARG 14 HG2 ARG 14 13.929 -18.147 28.880 101 HG3 ARG 14 HG1 ARG 14 15.501 -18.726 28.327 102 HD2 ARG 14 HD2 ARG 14 15.154 -20.839 29.559 103 HD3 ARG 14 HD1 ARG 14 13.578 -20.264 30.097 104 HE ARG 14 HE ARG 14 14.256 -21.247 27.449 105 HH11 ARG 14 HH11 ARG 14 12.499 -21.442 26.021 106 HH12 ARG 14 HH12 ARG 14 10.984 -20.700 26.411 107 HH21 ARG 14 HH21 ARG 14 12.102 -19.390 29.422 108 HH22 ARG 14 HH22 ARG 14 10.760 -19.537 28.337 109 H LEU 15 HN LEU 15 18.124 -16.925 31.491 110 HA LEU 15 HA LEU 15 17.240 -16.183 34.075 111 HB2 LEU 15 HB2 LEU 15 20.005 -16.211 32.837 112 HB3 LEU 15 HB1 LEU 15 19.717 -15.724 34.502 113 HG LEU 15 HG LEU 15 20.352 -18.128 34.277 114 HD11 LEU 15 HD11 LEU 15 18.948 -18.828 35.970 115 HD12 LEU 15 HD12 LEU 15 17.500 -18.174 35.212 116 HD13 LEU 15 HD13 LEU 15 18.629 -17.098 36.035 117 HD21 LEU 15 HD21 LEU 15 18.986 -19.696 33.157 118 HD22 LEU 15 HD22 LEU 15 19.067 -18.331 32.046 119 HD23 LEU 15 HD23 LEU 15 17.632 -18.573 33.044 120 H LYS 16 HN LYS 16 18.457 -14.304 31.344 121 HA LYS 16 HA LYS 16 18.788 -11.856 32.745 122 HB2 LYS 16 HB2 LYS 16 18.153 -12.321 29.816 123 HB3 LYS 16 HB1 LYS 16 18.748 -10.818 30.512 124 HG2 LYS 16 HG2 LYS 16 20.258 -13.440 30.687 125 HG3 LYS 16 HG1 LYS 16 20.517 -12.260 29.407 126 HD2 LYS 16 HD2 LYS 16 21.017 -10.550 31.210 127 HD3 LYS 16 HD1 LYS 16 20.989 -11.872 32.376 128 HE2 LYS 16 HE2 LYS 16 22.760 -13.034 31.130 129 HE3 LYS 16 HE1 LYS 16 22.802 -11.716 29.959 130 HZ1 LYS 16 HZ1 LYS 16 23.022 -10.483 32.385 131 HZ2 LYS 16 HZ2 LYS 16 24.288 -10.778 31.291 132 HZ3 LYS 16 HZ3 LYS 16 23.981 -11.871 32.555 133 H ASN 17 HN ASN 17 16.026 -13.569 31.609 134 HA ASN 17 HA ASN 17 13.756 -13.079 31.633 135 HB2 ASN 17 HB2 ASN 17 14.669 -11.100 33.735 136 HB3 ASN 17 HB1 ASN 17 13.008 -11.623 33.468 137 HD21 ASN 17 HD21 ASN 17 15.142 -12.084 35.743 138 HD22 ASN 17 HD22 ASN 17 15.020 -13.753 36.026 139 H GLU 18 HN GLU 18 15.273 -11.751 29.604 140 HA GLU 18 HA GLU 18 14.748 -8.983 29.467 141 HB2 GLU 18 HB2 GLU 18 15.238 -11.018 27.278 142 HB3 GLU 18 HB1 GLU 18 15.053 -9.291 26.978 143 HG2 GLU 18 HG2 GLU 18 16.953 -8.771 28.368 144 HG3 GLU 18 HG1 GLU 18 17.072 -10.442 28.916 145 H ARG 19 HN ARG 19 12.804 -11.793 28.548 146 HA ARG 19 HA ARG 19 10.599 -11.969 27.871 147 HB2 ARG 19 HB2 ARG 19 10.466 -9.378 29.430 148 HB3 ARG 19 HB1 ARG 19 9.055 -10.257 28.845 149 HG2 ARG 19 HG2 ARG 19 9.754 -12.246 30.125 150 HG3 ARG 19 HG1 ARG 19 11.169 -11.371 30.713 151 HD2 ARG 19 HD2 ARG 19 9.695 -9.701 31.776 152 HD3 ARG 19 HD1 ARG 19 8.282 -10.579 31.196 153 HE ARG 19 HE ARG 19 9.900 -12.359 32.669 154 HH11 ARG 19 HH11 ARG 19 9.318 -12.849 34.809 155 HH12 ARG 19 HH12 ARG 19 8.272 -11.781 35.683 156 HH21 ARG 19 HH21 ARG 19 7.937 -9.534 33.062 157 HH22 ARG 19 HH22 ARG 19 7.490 -9.904 34.695 158 H HIS 20 HN HIS 20 12.115 -11.178 25.802 159 HA HIS 20 HA HIS 20 11.357 -8.708 24.611 160 HB2 HIS 20 HB2 HIS 20 12.479 -11.250 23.401 161 HB3 HIS 20 HB1 HIS 20 12.183 -9.778 22.477 162 HD2 HIS 20 HD2 HIS 20 14.956 -11.265 24.633 163 HE1 HIS 20 HE1 HIS 20 15.757 -7.127 24.399 164 HE2 HIS 20 HE2 HIS 20 16.709 -9.381 25.075 165 H GLU 21 HN GLU 21 9.854 -11.838 24.782 166 HA GLU 21 HA GLU 21 8.148 -11.620 22.538 167 HB2 GLU 21 HB2 GLU 21 7.858 -13.205 25.100 168 HB3 GLU 21 HB1 GLU 21 6.687 -13.276 23.785 169 HG2 GLU 21 HG2 GLU 21 8.367 -14.066 22.241 170 HG3 GLU 21 HG1 GLU 21 9.647 -13.815 23.424 171 H GLU 22 HN GLU 22 7.839 -10.433 25.857 172 HA GLU 22 HA GLU 22 5.113 -9.673 25.672 173 HB2 GLU 22 HB2 GLU 22 7.344 -8.636 27.444 174 HB3 GLU 22 HB1 GLU 22 5.675 -8.082 27.558 175 HG2 GLU 22 HG2 GLU 22 4.901 -10.327 28.031 176 HG3 GLU 22 HG1 GLU 22 6.513 -10.983 27.758 177 H ALA 23 HN ALA 23 8.117 -8.082 24.791 178 HA ALA 23 HA ALA 23 7.066 -5.509 24.294 179 HB1 ALA 23 HB1 ALA 23 9.062 -5.252 22.745 180 HB2 ALA 23 HB2 ALA 23 9.494 -6.913 23.146 181 HB3 ALA 23 HB3 ALA 23 9.439 -5.683 24.411 182 H GLU 24 HN GLU 24 7.192 -8.420 22.302 183 HA GLU 24 HA GLU 24 6.441 -7.197 19.857 184 HB2 GLU 24 HB2 GLU 24 6.164 -10.048 20.832 185 HB3 GLU 24 HB1 GLU 24 5.690 -9.530 19.216 186 HG2 GLU 24 HG2 GLU 24 7.939 -8.810 18.710 187 HG3 GLU 24 HG1 GLU 24 8.458 -9.084 20.370 188 H LEU 25 HN LEU 25 4.593 -8.223 22.645 189 HA LEU 25 HA LEU 25 2.066 -8.405 21.417 190 HB2 LEU 25 HB2 LEU 25 2.418 -9.241 23.689 191 HB3 LEU 25 HB1 LEU 25 2.714 -7.610 24.279 192 HG LEU 25 HG LEU 25 0.412 -6.962 23.628 193 HD11 LEU 25 HD11 LEU 25 -1.116 -9.051 23.145 194 HD12 LEU 25 HD12 LEU 25 0.384 -9.792 22.589 195 HD13 LEU 25 HD13 LEU 25 -0.212 -8.319 21.823 196 HD21 LEU 25 HD21 LEU 25 -0.760 -8.372 25.327 197 HD22 LEU 25 HD22 LEU 25 0.800 -7.776 25.895 198 HD23 LEU 25 HD23 LEU 25 0.638 -9.447 25.355 199 H GLU 26 HN GLU 26 3.820 -5.596 22.711 200 HA GLU 26 HA GLU 26 1.684 -3.754 22.429 201 HB2 GLU 26 HB2 GLU 26 4.689 -3.321 22.471 202 HB3 GLU 26 HB1 GLU 26 3.512 -2.013 22.420 203 HG2 GLU 26 HG2 GLU 26 3.950 -2.252 24.716 204 HG3 GLU 26 HG1 GLU 26 2.454 -3.152 24.503 205 H ARG 27 HN ARG 27 4.127 -4.952 20.190 206 HA ARG 27 HA ARG 27 3.692 -3.047 18.145 207 HB2 ARG 27 HB2 ARG 27 4.777 -5.872 18.027 208 HB3 ARG 27 HB1 ARG 27 4.667 -4.818 16.619 209 HG2 ARG 27 HG2 ARG 27 6.062 -3.136 17.753 210 HG3 ARG 27 HG1 ARG 27 6.171 -4.172 19.174 211 HD2 ARG 27 HD2 ARG 27 7.247 -5.928 17.812 212 HD3 ARG 27 HD1 ARG 27 7.150 -4.885 16.396 213 HE ARG 27 HE ARG 27 9.022 -4.644 18.604 214 HH11 ARG 27 HH11 ARG 27 10.619 -3.049 18.336 215 HH12 ARG 27 HH12 ARG 27 10.447 -1.860 17.089 216 HH21 ARG 27 HH21 ARG 27 7.426 -3.118 15.940 217 HH22 ARG 27 HH22 ARG 27 8.638 -1.898 15.732 218 H LEU 28 HN LEU 28 2.051 -6.069 18.961 219 HA LEU 28 HA LEU 28 0.579 -6.326 16.575 220 HB2 LEU 28 HB2 LEU 28 0.711 -8.175 18.172 221 HB3 LEU 28 HB1 LEU 28 -0.185 -7.248 19.370 222 HG LEU 28 HG LEU 28 -2.135 -7.169 17.844 223 HD11 LEU 28 HD11 LEU 28 -1.316 -7.286 15.651 224 HD12 LEU 28 HD12 LEU 28 -1.941 -8.915 15.882 225 HD13 LEU 28 HD13 LEU 28 -0.210 -8.608 16.025 226 HD21 LEU 28 HD21 LEU 28 -1.788 -9.034 19.497 227 HD22 LEU 28 HD22 LEU 28 -1.090 -9.993 18.192 228 HD23 LEU 28 HD23 LEU 28 -2.778 -9.490 18.111 229 H LYS 29 HN LYS 29 -0.075 -4.465 19.531 230 HA LYS 29 HA LYS 29 -2.708 -3.698 18.822 231 HB2 LYS 29 HB2 LYS 29 -0.682 -2.390 20.649 232 HB3 LYS 29 HB1 LYS 29 -2.310 -1.760 20.418 233 HG2 LYS 29 HG2 LYS 29 -3.182 -4.059 21.062 234 HG3 LYS 29 HG1 LYS 29 -1.536 -4.476 21.524 235 HD2 LYS 29 HD2 LYS 29 -2.983 -2.067 22.645 236 HD3 LYS 29 HD1 LYS 29 -3.046 -3.652 23.407 237 HE2 LYS 29 HE2 LYS 29 -0.525 -2.043 22.876 238 HE3 LYS 29 HE1 LYS 29 -1.296 -2.277 24.439 239 HZ1 LYS 29 HZ1 LYS 29 -0.997 -4.702 24.104 240 HZ2 LYS 29 HZ2 LYS 29 0.460 -3.840 24.253 241 HZ3 LYS 29 HZ3 LYS 29 -0.069 -4.362 22.725 242 H SER 30 HN SER 30 0.464 -2.367 18.027 243 HA SER 30 HA SER 30 -0.423 0.068 16.920 244 HB2 SER 30 HB2 SER 30 2.047 -1.573 16.295 245 HB3 SER 30 HB1 SER 30 1.747 0.045 15.672 246 HG SER 30 HG SER 30 2.312 -0.821 18.266 247 H GLU 31 HN GLU 31 -0.165 -3.185 15.549 248 HA GLU 31 HA GLU 31 -0.566 -2.464 12.851 249 HB2 GLU 31 HB2 GLU 31 0.206 -4.711 13.490 250 HB3 GLU 31 HB1 GLU 31 -1.355 -5.055 14.226 251 HG2 GLU 31 HG2 GLU 31 -1.265 -6.018 11.984 252 HG3 GLU 31 HG1 GLU 31 -2.445 -4.714 12.013 253 H ALA 32 HN ALA 32 -2.830 -3.069 15.503 254 HA ALA 32 HA ALA 32 -5.207 -3.131 13.978 255 HB1 ALA 32 HB1 ALA 32 -4.836 -2.192 16.839 256 HB2 ALA 32 HB2 ALA 32 -5.143 -3.856 16.332 257 HB3 ALA 32 HB3 ALA 32 -6.370 -2.617 16.080 258 H ALA 33 HN ALA 33 -3.115 -0.538 14.842 259 HA ALA 33 HA ALA 33 -4.930 1.615 14.826 260 HB1 ALA 33 HB1 ALA 33 -3.015 3.061 14.354 261 HB2 ALA 33 HB2 ALA 33 -2.033 1.666 13.920 262 HB3 ALA 33 HB3 ALA 33 -2.591 1.870 15.582 263 H ASP 34 HN ASP 34 -3.451 -0.185 12.186 264 HA ASP 34 HA ASP 34 -4.003 1.638 10.110 265 HB2 ASP 34 HB2 ASP 34 -3.714 -1.378 10.084 266 HB3 ASP 34 HB1 ASP 34 -3.963 -0.421 8.626 267 H HIS 35 HN HIS 35 -6.015 -0.828 11.665 268 HA HIS 35 HA HIS 35 -8.155 -0.693 9.804 269 HB2 HIS 35 HB2 HIS 35 -8.059 -1.587 12.700 270 HB3 HIS 35 HB1 HIS 35 -9.524 -1.645 11.723 271 HD2 HIS 35 HD2 HIS 35 -9.649 -3.782 9.931 272 HE1 HIS 35 HE1 HIS 35 -5.735 -5.232 10.560 273 HE2 HIS 35 HE2 HIS 35 -7.953 -5.699 9.416 274 H ASP 36 HN ASP 36 -7.310 1.195 12.657 275 HA ASP 36 HA ASP 36 -9.773 2.549 12.964 276 HB2 ASP 36 HB2 ASP 36 -6.946 3.337 13.709 277 HB3 ASP 36 HB1 ASP 36 -8.358 4.311 14.109 278 H LYS 37 HN LYS 37 -7.150 2.934 10.712 279 HA LYS 37 HA LYS 37 -7.600 5.608 9.944 280 HB2 LYS 37 HB2 LYS 37 -5.578 4.404 9.245 281 HB3 LYS 37 HB1 LYS 37 -6.546 3.338 8.229 282 HG2 LYS 37 HG2 LYS 37 -7.217 5.157 6.810 283 HG3 LYS 37 HG1 LYS 37 -6.562 6.350 7.928 284 HD2 LYS 37 HD2 LYS 37 -4.950 6.197 6.193 285 HD3 LYS 37 HD1 LYS 37 -4.274 5.248 7.511 286 HE2 LYS 37 HE2 LYS 37 -4.049 4.051 5.374 287 HE3 LYS 37 HE1 LYS 37 -5.132 3.177 6.450 288 HZ1 LYS 37 HZ1 LYS 37 -6.554 5.090 4.913 289 HZ2 LYS 37 HZ2 LYS 37 -6.785 3.410 5.012 290 HZ3 LYS 37 HZ3 LYS 37 -5.676 4.054 3.898 291 H LYS 38 HN LYS 38 -9.145 2.589 8.896 292 HA LYS 38 HA LYS 38 -10.605 3.698 6.747 293 HB2 LYS 38 HB2 LYS 38 -11.158 1.283 8.488 294 HB3 LYS 38 HB1 LYS 38 -12.151 1.723 7.101 295 HG2 LYS 38 HG2 LYS 38 -10.062 1.696 5.689 296 HG3 LYS 38 HG1 LYS 38 -9.196 1.049 7.080 297 HD2 LYS 38 HD2 LYS 38 -11.667 -0.270 5.931 298 HD3 LYS 38 HD1 LYS 38 -10.036 -0.677 5.402 299 HE2 LYS 38 HE2 LYS 38 -9.467 -1.180 7.811 300 HE3 LYS 38 HE1 LYS 38 -11.175 -0.977 8.196 301 HZ1 LYS 38 HZ1 LYS 38 -10.103 -3.297 7.482 302 HZ2 LYS 38 HZ2 LYS 38 -10.593 -2.724 5.960 303 HZ3 LYS 38 HZ3 LYS 38 -11.728 -2.897 7.211 304 H GLU 39 HN GLU 39 -11.234 3.536 10.213 305 HA GLU 39 HA GLU 39 -13.940 4.354 10.155 306 HB2 GLU 39 HB2 GLU 39 -12.852 3.392 12.172 307 HB3 GLU 39 HB1 GLU 39 -11.906 4.873 12.348 308 HG2 GLU 39 HG2 GLU 39 -13.966 6.183 12.587 309 HG3 GLU 39 HG1 GLU 39 -14.935 4.730 12.346 310 H ALA 40 HN ALA 40 -10.956 6.114 9.827 311 HA ALA 40 HA ALA 40 -11.814 8.698 10.507 312 HB1 ALA 40 HB1 ALA 40 -9.801 7.946 8.369 313 HB2 ALA 40 HB2 ALA 40 -9.440 8.125 10.090 314 HB3 ALA 40 HB3 ALA 40 -9.960 9.520 9.145 315 H GLU 41 HN GLU 41 -12.693 6.732 7.832 316 HA GLU 41 HA GLU 41 -13.214 8.662 5.860 317 HB2 GLU 41 HB2 GLU 41 -14.704 7.053 4.859 318 HB3 GLU 41 HB1 GLU 41 -13.340 6.166 5.538 319 HG2 GLU 41 HG2 GLU 41 -14.754 5.810 7.622 320 HG3 GLU 41 HG1 GLU 41 -16.115 6.465 6.716 321 H ARG 42 HN ARG 42 -14.753 8.055 8.866 322 HA ARG 42 HA ARG 42 -17.343 9.036 8.316 323 HB2 ARG 42 HB2 ARG 42 -15.765 8.948 10.903 324 HB3 ARG 42 HB1 ARG 42 -17.442 9.482 10.799 325 HG2 ARG 42 HG2 ARG 42 -18.088 7.319 9.825 326 HG3 ARG 42 HG1 ARG 42 -16.409 6.780 9.894 327 HD2 ARG 42 HD2 ARG 42 -16.426 7.052 12.349 328 HD3 ARG 42 HD1 ARG 42 -18.106 7.578 12.277 329 HE ARG 42 HE ARG 42 -17.125 4.854 12.005 330 HH11 ARG 42 HH11 ARG 42 -18.742 3.263 11.874 331 HH12 ARG 42 HH12 ARG 42 -20.385 3.727 11.588 332 HH21 ARG 42 HH21 ARG 42 -19.681 7.120 11.444 333 HH22 ARG 42 HH22 ARG 42 -20.918 5.910 11.343 334 H LYS 43 HN LYS 43 -14.319 10.663 9.143 335 HA LYS 43 HA LYS 43 -15.421 13.226 9.660 336 HB2 LYS 43 HB2 LYS 43 -12.658 12.394 8.743 337 HB3 LYS 43 HB1 LYS 43 -13.093 14.040 9.199 338 HG2 LYS 43 HG2 LYS 43 -13.774 13.255 11.433 339 HG3 LYS 43 HG1 LYS 43 -13.346 11.603 10.985 340 HD2 LYS 43 HD2 LYS 43 -11.010 12.304 10.616 341 HD3 LYS 43 HD1 LYS 43 -11.434 13.957 11.064 342 HE2 LYS 43 HE2 LYS 43 -12.115 13.184 13.304 343 HE3 LYS 43 HE1 LYS 43 -11.701 11.528 12.861 344 HZ1 LYS 43 HZ1 LYS 43 -9.861 12.416 14.020 345 HZ2 LYS 43 HZ2 LYS 43 -9.871 13.846 13.104 346 HZ3 LYS 43 HZ3 LYS 43 -9.416 12.376 12.385 347 H ALA 44 HN ALA 44 -14.827 11.488 6.738 348 HA ALA 44 HA ALA 44 -14.495 13.627 4.934 349 HB1 ALA 44 HB1 ALA 44 -14.098 11.285 4.275 350 HB2 ALA 44 HB2 ALA 44 -15.236 12.071 3.184 351 HB3 ALA 44 HB3 ALA 44 -15.826 10.951 4.410 352 H LEU 45 HN LEU 45 -17.285 12.485 6.627 353 HA LEU 45 HA LEU 45 -19.296 13.457 4.905 354 HB2 LEU 45 HB2 LEU 45 -19.843 11.917 6.728 355 HB3 LEU 45 HB1 LEU 45 -19.391 13.125 7.926 356 HG LEU 45 HG LEU 45 -21.183 14.618 7.086 357 HD11 LEU 45 HD11 LEU 45 -22.914 13.338 5.567 358 HD12 LEU 45 HD12 LEU 45 -21.514 12.370 5.104 359 HD13 LEU 45 HD13 LEU 45 -21.517 14.111 4.822 360 HD21 LEU 45 HD21 LEU 45 -21.732 13.158 8.930 361 HD22 LEU 45 HD22 LEU 45 -21.987 11.795 7.841 362 HD23 LEU 45 HD23 LEU 45 -23.107 13.158 7.825 363 H GLU 46 HN GLU 46 -17.416 15.039 7.463 364 HA GLU 46 HA GLU 46 -18.892 17.444 7.528 365 HB2 GLU 46 HB2 GLU 46 -15.999 16.868 8.226 366 HB3 GLU 46 HB1 GLU 46 -16.763 18.439 8.460 367 HG2 GLU 46 HG2 GLU 46 -18.420 17.486 9.943 368 HG3 GLU 46 HG1 GLU 46 -17.842 15.854 9.607 369 H ASP 47 HN ASP 47 -16.267 16.336 5.431 370 HA ASP 47 HA ASP 47 -15.683 18.819 4.230 371 HB2 ASP 47 HB2 ASP 47 -15.382 15.988 3.194 372 HB3 ASP 47 HB1 ASP 47 -14.848 17.406 2.296 373 H LYS 48 HN LYS 48 -18.181 16.406 3.535 374 HA LYS 48 HA LYS 48 -19.017 17.482 1.075 375 HB2 LYS 48 HB2 LYS 48 -19.750 15.257 1.756 376 HB3 LYS 48 HB1 LYS 48 -20.627 15.920 3.127 377 HG2 LYS 48 HG2 LYS 48 -22.206 15.443 1.356 378 HG3 LYS 48 HG1 LYS 48 -22.080 17.190 1.514 379 HD2 LYS 48 HD2 LYS 48 -20.669 17.337 -0.439 380 HD3 LYS 48 HD1 LYS 48 -20.497 15.583 -0.512 381 HE2 LYS 48 HE2 LYS 48 -22.917 15.374 -0.947 382 HE3 LYS 48 HE1 LYS 48 -23.083 17.128 -0.864 383 HZ1 LYS 48 HZ1 LYS 48 -22.899 16.407 -3.145 384 HZ2 LYS 48 HZ2 LYS 48 -21.432 15.617 -2.815 385 HZ3 LYS 48 HZ3 LYS 48 -21.527 17.310 -2.719 386 H LEU 49 HN LEU 49 -19.899 18.289 4.411 387 HA LEU 49 HA LEU 49 -22.010 20.062 3.774 388 HB2 LEU 49 HB2 LEU 49 -20.191 19.936 6.197 389 HB3 LEU 49 HB1 LEU 49 -21.564 21.029 6.062 390 HG LEU 49 HG LEU 49 -21.767 18.019 5.754 391 HD11 LEU 49 HD11 LEU 49 -21.101 18.397 8.012 392 HD12 LEU 49 HD12 LEU 49 -22.853 18.208 8.063 393 HD13 LEU 49 HD13 LEU 49 -22.136 19.818 8.158 394 HD21 LEU 49 HD21 LEU 49 -24.243 18.755 6.422 395 HD22 LEU 49 HD22 LEU 49 -23.704 18.847 4.751 396 HD23 LEU 49 HD23 LEU 49 -23.734 20.302 5.746 397 H ALA 50 HN ALA 50 -18.512 20.494 3.976 398 HA ALA 50 HA ALA 50 -17.156 22.238 3.287 399 HB1 ALA 50 HB1 ALA 50 -17.844 23.496 1.420 400 HB2 ALA 50 HB2 ALA 50 -19.547 23.397 1.862 401 HB3 ALA 50 HB3 ALA 50 -18.711 21.970 1.250 402 H ASP 51 HN ASP 51 -18.786 22.423 5.751 403 HA ASP 51 HA ASP 51 -19.447 25.260 5.979 404 HB2 ASP 51 HB2 ASP 51 -20.201 24.696 8.215 405 HB3 ASP 51 HB1 ASP 51 -20.853 23.524 7.071 406 H TYR 52 HN TYR 52 -16.643 23.657 5.891 407 HA TYR 52 HA TYR 52 -14.537 23.905 6.859 408 HB2 TYR 52 HB2 TYR 52 -14.710 25.964 5.569 409 HB3 TYR 52 HB1 TYR 52 -15.566 26.754 6.894 410 HD1 TYR 52 HD1 TYR 52 -12.338 25.123 5.978 411 HD2 TYR 52 HD2 TYR 52 -14.379 27.756 8.689 412 HE1 TYR 52 HE1 TYR 52 -10.167 25.751 7.002 413 HE2 TYR 52 HE2 TYR 52 -12.210 28.385 9.712 414 HH TYR 52 HH TYR 52 -9.504 28.227 8.527 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -5.857 -1.219 20.875 2 H2 GLY 1 HT2 GLY 1 -5.709 0.253 21.709 3 H3 GLY 1 HT3 GLY 1 -6.097 0.245 20.055 4 HA2 GLY 1 HA2 GLY 1 -8.090 0.698 21.242 5 HA3 GLY 1 HA1 GLY 1 -8.189 -0.942 20.603 6 H SER 2 HN SER 2 -7.970 -2.714 22.013 7 HA SER 2 HA SER 2 -8.334 -3.853 23.978 8 HB2 SER 2 HB2 SER 2 -6.698 -1.568 25.102 9 HB3 SER 2 HB1 SER 2 -7.030 -3.089 25.923 10 HG SER 2 HG SER 2 -5.908 -4.161 24.302 11 H VAL 3 HN VAL 3 -10.344 -1.930 23.144 12 HA VAL 3 HA VAL 3 -11.260 -0.381 25.331 13 HB VAL 3 HB VAL 3 -12.729 -1.469 22.909 14 HG11 VAL 3 HG11 VAL 3 -13.691 0.280 25.184 15 HG12 VAL 3 HG12 VAL 3 -14.418 -1.211 24.586 16 HG13 VAL 3 HG13 VAL 3 -14.477 0.253 23.605 17 HG21 VAL 3 HG21 VAL 3 -11.119 0.255 22.359 18 HG22 VAL 3 HG22 VAL 3 -11.644 1.247 23.717 19 HG23 VAL 3 HG23 VAL 3 -12.718 0.995 22.343 20 H GLU 4 HN GLU 4 -11.922 -3.728 24.348 21 HA GLU 4 HA GLU 4 -13.966 -4.221 26.231 22 HB2 GLU 4 HB2 GLU 4 -12.036 -6.110 24.853 23 HB3 GLU 4 HB1 GLU 4 -13.334 -6.649 25.917 24 HG2 GLU 4 HG2 GLU 4 -15.009 -5.626 24.502 25 HG3 GLU 4 HG1 GLU 4 -13.766 -4.881 23.498 26 H LYS 5 HN LYS 5 -10.436 -4.397 26.474 27 HA LYS 5 HA LYS 5 -10.386 -5.678 29.021 28 HB2 LYS 5 HB2 LYS 5 -8.315 -3.883 27.719 29 HB3 LYS 5 HB1 LYS 5 -8.039 -4.931 29.106 30 HG2 LYS 5 HG2 LYS 5 -8.981 -5.955 26.415 31 HG3 LYS 5 HG1 LYS 5 -7.285 -5.885 26.882 32 HD2 LYS 5 HD2 LYS 5 -7.931 -7.276 28.930 33 HD3 LYS 5 HD1 LYS 5 -9.484 -7.542 28.138 34 HE2 LYS 5 HE2 LYS 5 -6.800 -8.188 26.897 35 HE3 LYS 5 HE1 LYS 5 -7.867 -9.366 27.661 36 HZ1 LYS 5 HZ1 LYS 5 -8.071 -9.162 25.186 37 HZ2 LYS 5 HZ2 LYS 5 -8.733 -7.616 25.433 38 HZ3 LYS 5 HZ3 LYS 5 -9.522 -8.990 26.046 39 H LEU 6 HN LEU 6 -10.956 -2.437 27.971 40 HA LEU 6 HA LEU 6 -11.169 -0.428 29.128 41 HB2 LEU 6 HB2 LEU 6 -13.103 -2.100 29.872 42 HB3 LEU 6 HB1 LEU 6 -12.288 -2.004 31.430 43 HG LEU 6 HG LEU 6 -12.378 0.603 30.996 44 HD11 LEU 6 HD11 LEU 6 -14.856 -0.190 29.461 45 HD12 LEU 6 HD12 LEU 6 -13.337 0.113 28.624 46 HD13 LEU 6 HD13 LEU 6 -14.087 1.392 29.575 47 HD21 LEU 6 HD21 LEU 6 -14.603 0.684 32.099 48 HD22 LEU 6 HD22 LEU 6 -13.558 -0.535 32.827 49 HD23 LEU 6 HD23 LEU 6 -14.839 -1.022 31.718 50 H THR 7 HN THR 7 -8.652 -1.936 29.573 51 HA THR 7 HA THR 7 -7.939 -0.926 32.277 52 HB THR 7 HB THR 7 -6.666 -3.144 30.651 53 HG1 THR 7 HG1 THR 7 -8.087 -4.314 31.620 54 HG21 THR 7 HG21 THR 7 -5.472 -3.517 32.880 55 HG22 THR 7 HG22 THR 7 -6.030 -1.905 33.331 56 HG23 THR 7 HG23 THR 7 -4.956 -2.113 31.946 57 H ALA 8 HN ALA 8 -6.565 0.731 32.347 58 HA ALA 8 HA ALA 8 -4.992 1.397 29.915 59 HB1 ALA 8 HB1 ALA 8 -6.796 3.019 30.738 60 HB2 ALA 8 HB2 ALA 8 -5.185 3.685 30.472 61 HB3 ALA 8 HB3 ALA 8 -5.732 3.328 32.111 62 H ASP 9 HN ASP 9 -4.663 0.105 32.963 63 HA ASP 9 HA ASP 9 -2.165 1.441 33.658 64 HB2 ASP 9 HB2 ASP 9 -2.169 0.031 35.620 65 HB3 ASP 9 HB1 ASP 9 -3.782 0.703 35.402 66 H ALA 10 HN ALA 10 -2.896 -0.708 31.360 67 HA ALA 10 HA ALA 10 -1.062 -2.828 31.714 68 HB1 ALA 10 HB1 ALA 10 -2.060 -1.625 29.114 69 HB2 ALA 10 HB2 ALA 10 -2.830 -2.934 30.014 70 HB3 ALA 10 HB3 ALA 10 -1.244 -3.178 29.286 71 H GLU 11 HN GLU 11 -0.637 0.475 30.753 72 HA GLU 11 HA GLU 11 1.817 0.244 29.380 73 HB2 GLU 11 HB2 GLU 11 0.597 2.564 30.900 74 HB3 GLU 11 HB1 GLU 11 2.102 2.679 29.988 75 HG2 GLU 11 HG2 GLU 11 0.978 2.046 27.938 76 HG3 GLU 11 HG1 GLU 11 -0.520 1.725 28.809 77 H LEU 12 HN LEU 12 1.097 0.524 32.842 78 HA LEU 12 HA LEU 12 3.735 1.076 33.679 79 HB2 LEU 12 HB2 LEU 12 1.416 -0.186 35.155 80 HB3 LEU 12 HB1 LEU 12 2.964 0.158 35.914 81 HG LEU 12 HG LEU 12 1.296 2.249 34.481 82 HD11 LEU 12 HD11 LEU 12 1.521 1.714 37.456 83 HD12 LEU 12 HD12 LEU 12 0.127 1.290 36.463 84 HD13 LEU 12 HD13 LEU 12 0.568 2.983 36.688 85 HD21 LEU 12 HD21 LEU 12 3.436 3.169 34.587 86 HD22 LEU 12 HD22 LEU 12 3.873 2.274 36.040 87 HD23 LEU 12 HD23 LEU 12 2.810 3.675 36.150 88 H GLN 13 HN GLN 13 2.092 -2.013 33.077 89 HA GLN 13 HA GLN 13 4.117 -3.639 34.197 90 HB2 GLN 13 HB2 GLN 13 1.984 -4.228 32.135 91 HB3 GLN 13 HB1 GLN 13 3.134 -5.444 32.687 92 HG2 GLN 13 HG2 GLN 13 1.127 -5.620 34.033 93 HG3 GLN 13 HG1 GLN 13 2.418 -4.977 35.044 94 HE21 GLN 13 HE21 GLN 13 1.410 -3.500 36.430 95 HE22 GLN 13 HE22 GLN 13 0.345 -2.281 35.923 96 H ARG 14 HN ARG 14 3.748 -2.259 30.947 97 HA ARG 14 HA ARG 14 5.801 -3.774 29.735 98 HB2 ARG 14 HB2 ARG 14 4.716 -1.028 29.049 99 HB3 ARG 14 HB1 ARG 14 5.918 -1.873 28.076 100 HG2 ARG 14 HG2 ARG 14 4.308 -3.823 27.950 101 HG3 ARG 14 HG1 ARG 14 3.100 -2.784 28.702 102 HD2 ARG 14 HD2 ARG 14 4.566 -2.161 26.125 103 HD3 ARG 14 HD1 ARG 14 2.920 -2.779 26.227 104 HE ARG 14 HE ARG 14 2.967 -0.487 27.788 105 HH11 ARG 14 HH11 ARG 14 2.374 1.533 26.930 106 HH12 ARG 14 HH12 ARG 14 2.445 1.798 25.221 107 HH21 ARG 14 HH21 ARG 14 3.595 -1.394 24.509 108 HH22 ARG 14 HH22 ARG 14 3.139 0.142 23.850 109 H LEU 15 HN LEU 15 5.886 -0.798 31.645 110 HA LEU 15 HA LEU 15 8.567 -0.116 31.088 111 HB2 LEU 15 HB2 LEU 15 7.055 1.496 32.145 112 HB3 LEU 15 HB1 LEU 15 6.939 0.489 33.584 113 HG LEU 15 HG LEU 15 9.376 0.756 33.959 114 HD11 LEU 15 HD11 LEU 15 10.392 2.730 32.542 115 HD12 LEU 15 HD12 LEU 15 9.158 2.277 31.365 116 HD13 LEU 15 HD13 LEU 15 10.376 1.103 31.869 117 HD21 LEU 15 HD21 LEU 15 9.293 3.144 34.589 118 HD22 LEU 15 HD22 LEU 15 7.781 2.331 34.991 119 HD23 LEU 15 HD23 LEU 15 7.875 3.364 33.564 120 H LYS 16 HN LYS 16 7.140 -2.293 33.498 121 HA LYS 16 HA LYS 16 9.529 -2.773 34.946 122 HB2 LYS 16 HB2 LYS 16 7.037 -4.462 34.604 123 HB3 LYS 16 HB1 LYS 16 8.357 -4.866 35.700 124 HG2 LYS 16 HG2 LYS 16 8.062 -2.715 36.865 125 HG3 LYS 16 HG1 LYS 16 6.742 -2.300 35.771 126 HD2 LYS 16 HD2 LYS 16 5.475 -4.270 36.542 127 HD3 LYS 16 HD1 LYS 16 6.793 -4.691 37.637 128 HE2 LYS 16 HE2 LYS 16 6.507 -2.544 38.816 129 HE3 LYS 16 HE1 LYS 16 5.195 -2.115 37.722 130 HZ1 LYS 16 HZ1 LYS 16 4.693 -3.224 40.004 131 HZ2 LYS 16 HZ2 LYS 16 5.064 -4.660 39.176 132 HZ3 LYS 16 HZ3 LYS 16 3.802 -3.664 38.630 133 H ASN 17 HN ASN 17 8.316 -3.969 31.914 134 HA ASN 17 HA ASN 17 9.193 -5.466 30.367 135 HB2 ASN 17 HB2 ASN 17 11.756 -4.759 31.818 136 HB3 ASN 17 HB1 ASN 17 11.649 -5.538 30.242 137 HD21 ASN 17 HD21 ASN 17 12.560 -2.692 31.259 138 HD22 ASN 17 HD22 ASN 17 11.796 -1.650 30.158 139 H GLU 18 HN GLU 18 8.089 -6.621 32.735 140 HA GLU 18 HA GLU 18 9.783 -8.534 33.927 141 HB2 GLU 18 HB2 GLU 18 7.607 -7.924 34.910 142 HB3 GLU 18 HB1 GLU 18 6.770 -8.697 33.565 143 HG2 GLU 18 HG2 GLU 18 7.774 -10.858 34.156 144 HG3 GLU 18 HG1 GLU 18 8.674 -10.094 35.466 145 H ARG 19 HN ARG 19 7.817 -8.667 30.970 146 HA ARG 19 HA ARG 19 9.064 -11.294 30.349 147 HB2 ARG 19 HB2 ARG 19 6.319 -10.263 29.589 148 HB3 ARG 19 HB1 ARG 19 7.026 -11.777 29.025 149 HG2 ARG 19 HG2 ARG 19 7.117 -12.654 31.272 150 HG3 ARG 19 HG1 ARG 19 6.648 -11.096 31.952 151 HD2 ARG 19 HD2 ARG 19 4.921 -12.736 30.079 152 HD3 ARG 19 HD1 ARG 19 4.751 -12.721 31.830 153 HE ARG 19 HE ARG 19 4.649 -10.062 30.963 154 HH11 ARG 19 HH11 ARG 19 2.639 -9.042 30.677 155 HH12 ARG 19 HH12 ARG 19 1.217 -9.999 30.434 156 HH21 ARG 19 HH21 ARG 19 2.897 -13.026 30.617 157 HH22 ARG 19 HH22 ARG 19 1.362 -12.255 30.399 158 H HIS 20 HN HIS 20 10.248 -11.366 28.561 159 HA HIS 20 HA HIS 20 10.715 -9.017 27.010 160 HB2 HIS 20 HB2 HIS 20 11.631 -11.883 26.655 161 HB3 HIS 20 HB1 HIS 20 12.094 -10.580 25.565 162 HD2 HIS 20 HD2 HIS 20 14.112 -8.911 26.537 163 HE1 HIS 20 HE1 HIS 20 14.329 -10.549 30.422 164 HE2 HIS 20 HE2 HIS 20 15.409 -8.917 28.804 165 H GLU 21 HN GLU 21 8.756 -11.924 26.493 166 HA GLU 21 HA GLU 21 8.246 -11.457 23.743 167 HB2 GLU 21 HB2 GLU 21 6.415 -13.072 24.002 168 HB3 GLU 21 HB1 GLU 21 7.907 -13.658 24.728 169 HG2 GLU 21 HG2 GLU 21 5.981 -12.154 26.488 170 HG3 GLU 21 HG1 GLU 21 5.575 -13.803 26.037 171 H GLU 22 HN GLU 22 7.004 -9.991 26.594 172 HA GLU 22 HA GLU 22 4.459 -9.205 25.656 173 HB2 GLU 22 HB2 GLU 22 5.077 -9.024 28.035 174 HB3 GLU 22 HB1 GLU 22 6.226 -7.744 27.651 175 HG2 GLU 22 HG2 GLU 22 4.407 -6.341 26.788 176 HG3 GLU 22 HG1 GLU 22 3.248 -7.634 27.097 177 H ALA 23 HN ALA 23 7.664 -7.744 25.257 178 HA ALA 23 HA ALA 23 6.793 -5.309 24.125 179 HB1 ALA 23 HB1 ALA 23 9.404 -6.815 23.798 180 HB2 ALA 23 HB2 ALA 23 9.075 -5.419 24.823 181 HB3 ALA 23 HB3 ALA 23 9.095 -5.240 23.070 182 H GLU 24 HN GLU 24 7.352 -8.497 22.704 183 HA GLU 24 HA GLU 24 7.194 -7.692 19.995 184 HB2 GLU 24 HB2 GLU 24 6.651 -10.366 21.313 185 HB3 GLU 24 HB1 GLU 24 6.562 -10.112 19.572 186 HG2 GLU 24 HG2 GLU 24 8.880 -9.437 19.482 187 HG3 GLU 24 HG1 GLU 24 9.004 -9.446 21.238 188 H LEU 25 HN LEU 25 4.722 -8.520 22.374 189 HA LEU 25 HA LEU 25 2.553 -8.641 20.527 190 HB2 LEU 25 HB2 LEU 25 2.610 -8.148 23.515 191 HB3 LEU 25 HB1 LEU 25 1.126 -8.297 22.582 192 HG LEU 25 HG LEU 25 3.291 -10.424 22.642 193 HD11 LEU 25 HD11 LEU 25 2.395 -10.235 24.872 194 HD12 LEU 25 HD12 LEU 25 1.650 -11.644 24.119 195 HD13 LEU 25 HD13 LEU 25 0.747 -10.135 24.258 196 HD21 LEU 25 HD21 LEU 25 2.035 -10.872 20.719 197 HD22 LEU 25 HD22 LEU 25 0.554 -10.194 21.395 198 HD23 LEU 25 HD23 LEU 25 1.122 -11.776 21.922 199 H GLU 26 HN GLU 26 4.252 -6.039 22.055 200 HA GLU 26 HA GLU 26 2.269 -4.044 21.923 201 HB2 GLU 26 HB2 GLU 26 4.359 -3.727 23.188 202 HB3 GLU 26 HB1 GLU 26 5.275 -3.671 21.683 203 HG2 GLU 26 HG2 GLU 26 4.018 -1.694 20.964 204 HG3 GLU 26 HG1 GLU 26 3.032 -1.770 22.423 205 H ARG 27 HN ARG 27 4.540 -5.221 19.458 206 HA ARG 27 HA ARG 27 4.026 -3.176 17.571 207 HB2 ARG 27 HB2 ARG 27 5.013 -6.014 17.192 208 HB3 ARG 27 HB1 ARG 27 4.835 -4.869 15.865 209 HG2 ARG 27 HG2 ARG 27 6.388 -3.325 16.919 210 HG3 ARG 27 HG1 ARG 27 6.498 -4.350 18.349 211 HD2 ARG 27 HD2 ARG 27 7.273 -5.243 15.562 212 HD3 ARG 27 HD1 ARG 27 8.417 -4.636 16.756 213 HE ARG 27 HE ARG 27 6.982 -6.707 17.970 214 HH11 ARG 27 HH11 ARG 27 7.854 -8.804 18.044 215 HH12 ARG 27 HH12 ARG 27 9.079 -9.268 16.910 216 HH21 ARG 27 HH21 ARG 27 9.137 -6.193 15.311 217 HH22 ARG 27 HH22 ARG 27 9.805 -7.791 15.363 218 H LEU 28 HN LEU 28 2.364 -6.217 18.280 219 HA LEU 28 HA LEU 28 0.690 -6.220 16.001 220 HB2 LEU 28 HB2 LEU 28 0.358 -7.480 18.734 221 HB3 LEU 28 HB1 LEU 28 -0.847 -7.648 17.464 222 HG LEU 28 HG LEU 28 0.781 -9.546 17.552 223 HD11 LEU 28 HD11 LEU 28 1.331 -8.163 14.944 224 HD12 LEU 28 HD12 LEU 28 -0.345 -8.511 15.366 225 HD13 LEU 28 HD13 LEU 28 0.826 -9.820 15.259 226 HD21 LEU 28 HD21 LEU 28 2.834 -7.613 16.471 227 HD22 LEU 28 HD22 LEU 28 3.077 -9.256 17.060 228 HD23 LEU 28 HD23 LEU 28 2.710 -7.960 18.196 229 H LYS 29 HN LYS 29 0.403 -4.642 19.149 230 HA LYS 29 HA LYS 29 -2.293 -3.855 18.907 231 HB2 LYS 29 HB2 LYS 29 -1.098 -3.720 21.052 232 HB3 LYS 29 HB1 LYS 29 -0.069 -2.436 20.417 233 HG2 LYS 29 HG2 LYS 29 -2.050 -1.011 20.066 234 HG3 LYS 29 HG1 LYS 29 -3.088 -2.301 20.674 235 HD2 LYS 29 HD2 LYS 29 -1.925 -2.218 22.847 236 HD3 LYS 29 HD1 LYS 29 -0.880 -0.932 22.240 237 HE2 LYS 29 HE2 LYS 29 -2.848 0.508 21.878 238 HE3 LYS 29 HE1 LYS 29 -3.901 -0.775 22.474 239 HZ1 LYS 29 HZ1 LYS 29 -1.900 0.806 23.964 240 HZ2 LYS 29 HZ2 LYS 29 -2.442 -0.696 24.545 241 HZ3 LYS 29 HZ3 LYS 29 -3.544 0.577 24.313 242 H SER 30 HN SER 30 0.700 -2.340 17.734 243 HA SER 30 HA SER 30 -0.442 0.111 16.927 244 HB2 SER 30 HB2 SER 30 1.535 0.348 15.507 245 HB3 SER 30 HB1 SER 30 1.995 -0.274 17.090 246 HG SER 30 HG SER 30 1.361 -2.319 15.506 247 H GLU 31 HN GLU 31 -0.384 -3.061 15.461 248 HA GLU 31 HA GLU 31 -1.071 -2.308 12.826 249 HB2 GLU 31 HB2 GLU 31 -0.260 -4.561 13.345 250 HB3 GLU 31 HB1 GLU 31 -1.728 -4.906 14.251 251 HG2 GLU 31 HG2 GLU 31 -1.874 -3.979 11.387 252 HG3 GLU 31 HG1 GLU 31 -1.586 -5.672 11.767 253 H ALA 32 HN ALA 32 -3.052 -2.988 15.673 254 HA ALA 32 HA ALA 32 -5.567 -2.972 14.399 255 HB1 ALA 32 HB1 ALA 32 -4.772 -2.377 17.259 256 HB2 ALA 32 HB2 ALA 32 -5.534 -3.827 16.608 257 HB3 ALA 32 HB3 ALA 32 -6.444 -2.321 16.706 258 H ALA 33 HN ALA 33 -3.554 -0.328 15.644 259 HA ALA 33 HA ALA 33 -5.629 1.647 14.975 260 HB1 ALA 33 HB1 ALA 33 -4.339 3.228 16.188 261 HB2 ALA 33 HB2 ALA 33 -2.905 2.205 16.153 262 HB3 ALA 33 HB3 ALA 33 -4.295 1.745 17.138 263 H ASP 34 HN ASP 34 -3.961 0.090 12.944 264 HA ASP 34 HA ASP 34 -2.314 2.127 11.702 265 HB2 ASP 34 HB2 ASP 34 -1.878 0.470 9.997 266 HB3 ASP 34 HB1 ASP 34 -1.766 -0.309 11.574 267 H HIS 35 HN HIS 35 -5.530 1.830 11.985 268 HA HIS 35 HA HIS 35 -6.200 2.581 9.211 269 HB2 HIS 35 HB2 HIS 35 -7.987 1.997 11.589 270 HB3 HIS 35 HB1 HIS 35 -8.537 2.345 9.950 271 HD2 HIS 35 HD2 HIS 35 -7.514 -0.694 12.017 272 HE1 HIS 35 HE1 HIS 35 -7.220 -1.896 7.980 273 HE2 HIS 35 HE2 HIS 35 -7.231 -2.714 10.385 274 H ASP 36 HN ASP 36 -5.002 4.117 11.765 275 HA ASP 36 HA ASP 36 -6.826 6.387 11.884 276 HB2 ASP 36 HB2 ASP 36 -5.271 7.289 13.515 277 HB3 ASP 36 HB1 ASP 36 -5.591 5.598 13.897 278 H LYS 37 HN LYS 37 -4.728 5.360 9.637 279 HA LYS 37 HA LYS 37 -3.083 7.588 9.107 280 HB2 LYS 37 HB2 LYS 37 -4.136 5.424 7.264 281 HB3 LYS 37 HB1 LYS 37 -2.989 6.662 6.757 282 HG2 LYS 37 HG2 LYS 37 -1.427 5.956 8.523 283 HG3 LYS 37 HG1 LYS 37 -2.572 4.720 9.048 284 HD2 LYS 37 HD2 LYS 37 -2.441 3.649 6.830 285 HD3 LYS 37 HD1 LYS 37 -1.299 4.884 6.299 286 HE2 LYS 37 HE2 LYS 37 0.282 4.190 8.060 287 HE3 LYS 37 HE1 LYS 37 -0.860 2.960 8.602 288 HZ1 LYS 37 HZ1 LYS 37 0.695 3.074 6.105 289 HZ2 LYS 37 HZ2 LYS 37 -0.761 2.198 6.157 290 HZ3 LYS 37 HZ3 LYS 37 0.520 1.789 7.198 291 H LYS 38 HN LYS 38 -6.422 6.858 8.182 292 HA LYS 38 HA LYS 38 -6.720 8.923 6.282 293 HB2 LYS 38 HB2 LYS 38 -8.376 7.113 6.492 294 HB3 LYS 38 HB1 LYS 38 -8.864 7.722 8.073 295 HG2 LYS 38 HG2 LYS 38 -9.555 9.853 7.052 296 HG3 LYS 38 HG1 LYS 38 -9.029 9.273 5.472 297 HD2 LYS 38 HD2 LYS 38 -10.662 7.420 5.615 298 HD3 LYS 38 HD1 LYS 38 -11.199 8.024 7.185 299 HE2 LYS 38 HE2 LYS 38 -11.304 9.601 4.596 300 HE3 LYS 38 HE1 LYS 38 -12.681 8.779 5.332 301 HZ1 LYS 38 HZ1 LYS 38 -11.205 11.138 6.285 302 HZ2 LYS 38 HZ2 LYS 38 -12.015 10.145 7.400 303 HZ3 LYS 38 HZ3 LYS 38 -12.879 10.905 6.149 304 H GLU 39 HN GLU 39 -7.032 8.914 9.814 305 HA GLU 39 HA GLU 39 -8.145 11.494 10.065 306 HB2 GLU 39 HB2 GLU 39 -6.468 9.858 11.987 307 HB3 GLU 39 HB1 GLU 39 -7.177 11.418 12.399 308 HG2 GLU 39 HG2 GLU 39 -9.408 10.587 11.976 309 HG3 GLU 39 HG1 GLU 39 -8.771 9.066 11.354 310 H ALA 40 HN ALA 40 -4.813 10.378 9.709 311 HA ALA 40 HA ALA 40 -3.531 12.805 10.376 312 HB1 ALA 40 HB1 ALA 40 -2.266 10.714 10.183 313 HB2 ALA 40 HB2 ALA 40 -1.601 11.938 9.104 314 HB3 ALA 40 HB3 ALA 40 -2.607 10.647 8.453 315 H GLU 41 HN GLU 41 -5.240 11.785 7.520 316 HA GLU 41 HA GLU 41 -4.130 13.618 5.681 317 HB2 GLU 41 HB2 GLU 41 -5.518 11.724 4.937 318 HB3 GLU 41 HB1 GLU 41 -6.934 12.441 5.698 319 HG2 GLU 41 HG2 GLU 41 -6.931 12.948 3.314 320 HG3 GLU 41 HG1 GLU 41 -6.684 14.433 4.226 321 H ARG 42 HN ARG 42 -6.739 13.936 8.058 322 HA ARG 42 HA ARG 42 -7.697 16.441 7.191 323 HB2 ARG 42 HB2 ARG 42 -7.744 15.133 9.929 324 HB3 ARG 42 HB1 ARG 42 -8.529 16.669 9.578 325 HG2 ARG 42 HG2 ARG 42 -9.100 14.277 7.837 326 HG3 ARG 42 HG1 ARG 42 -9.906 14.432 9.396 327 HD2 ARG 42 HD2 ARG 42 -9.954 16.556 7.225 328 HD3 ARG 42 HD1 ARG 42 -11.239 15.396 7.523 329 HE ARG 42 HE ARG 42 -10.764 16.659 9.950 330 HH11 ARG 42 HH11 ARG 42 -12.018 18.440 10.596 331 HH12 ARG 42 HH12 ARG 42 -12.838 19.393 9.404 332 HH21 ARG 42 HH21 ARG 42 -11.699 17.506 6.728 333 HH22 ARG 42 HH22 ARG 42 -12.657 18.863 7.214 334 H LYS 43 HN LYS 43 -5.022 15.533 9.306 335 HA LYS 43 HA LYS 43 -4.461 18.099 10.341 336 HB2 LYS 43 HB2 LYS 43 -3.535 16.058 11.351 337 HB3 LYS 43 HB1 LYS 43 -2.534 15.790 9.925 338 HG2 LYS 43 HG2 LYS 43 -1.384 17.934 10.313 339 HG3 LYS 43 HG1 LYS 43 -2.404 18.229 11.723 340 HD2 LYS 43 HD2 LYS 43 -1.521 16.189 12.791 341 HD3 LYS 43 HD1 LYS 43 -0.505 15.889 11.380 342 HE2 LYS 43 HE2 LYS 43 0.654 18.033 11.749 343 HE3 LYS 43 HE1 LYS 43 -0.364 18.345 13.155 344 HZ1 LYS 43 HZ1 LYS 43 1.239 15.875 12.947 345 HZ2 LYS 43 HZ2 LYS 43 0.596 16.611 14.336 346 HZ3 LYS 43 HZ3 LYS 43 1.922 17.311 13.537 347 H ALA 44 HN ALA 44 -3.427 16.521 7.341 348 HA ALA 44 HA ALA 44 -1.381 18.312 6.631 349 HB1 ALA 44 HB1 ALA 44 -3.261 16.796 4.795 350 HB2 ALA 44 HB2 ALA 44 -1.722 16.205 5.425 351 HB3 ALA 44 HB3 ALA 44 -1.753 17.568 4.308 352 H LEU 45 HN LEU 45 -4.797 18.747 6.668 353 HA LEU 45 HA LEU 45 -5.020 20.784 4.710 354 HB2 LEU 45 HB2 LEU 45 -6.726 20.213 7.153 355 HB3 LEU 45 HB1 LEU 45 -7.139 21.381 5.903 356 HG LEU 45 HG LEU 45 -6.619 18.441 5.375 357 HD11 LEU 45 HD11 LEU 45 -9.057 18.231 5.169 358 HD12 LEU 45 HD12 LEU 45 -9.252 19.933 5.585 359 HD13 LEU 45 HD13 LEU 45 -8.627 18.798 6.782 360 HD21 LEU 45 HD21 LEU 45 -7.397 20.801 3.670 361 HD22 LEU 45 HD22 LEU 45 -8.032 19.211 3.253 362 HD23 LEU 45 HD23 LEU 45 -6.294 19.475 3.307 363 H GLU 46 HN GLU 46 -3.990 20.776 8.050 364 HA GLU 46 HA GLU 46 -4.257 23.537 8.568 365 HB2 GLU 46 HB2 GLU 46 -3.867 21.914 10.378 366 HB3 GLU 46 HB1 GLU 46 -2.251 21.585 9.759 367 HG2 GLU 46 HG2 GLU 46 -2.121 23.173 11.603 368 HG3 GLU 46 HG1 GLU 46 -1.660 23.978 10.108 369 H ASP 47 HN ASP 47 -1.681 21.660 7.016 370 HA ASP 47 HA ASP 47 0.250 23.707 6.931 371 HB2 ASP 47 HB2 ASP 47 -0.190 21.312 5.129 372 HB3 ASP 47 HB1 ASP 47 1.165 22.421 4.945 373 H LYS 48 HN LYS 48 -2.485 22.977 4.801 374 HA LYS 48 HA LYS 48 -1.773 24.742 2.716 375 HB2 LYS 48 HB2 LYS 48 -4.483 23.712 3.603 376 HB3 LYS 48 HB1 LYS 48 -4.243 24.720 2.176 377 HG2 LYS 48 HG2 LYS 48 -2.665 23.064 1.260 378 HG3 LYS 48 HG1 LYS 48 -2.898 22.051 2.687 379 HD2 LYS 48 HD2 LYS 48 -5.280 21.811 2.161 380 HD3 LYS 48 HD1 LYS 48 -5.097 22.877 0.768 381 HE2 LYS 48 HE2 LYS 48 -5.051 20.540 0.035 382 HE3 LYS 48 HE1 LYS 48 -3.467 21.278 -0.215 383 HZ1 LYS 48 HZ1 LYS 48 -3.855 20.055 2.378 384 HZ2 LYS 48 HZ2 LYS 48 -2.524 19.978 1.325 385 HZ3 LYS 48 HZ3 LYS 48 -3.867 18.968 1.076 386 H LEU 49 HN LEU 49 -3.493 25.253 5.768 387 HA LEU 49 HA LEU 49 -4.384 27.881 5.216 388 HB2 LEU 49 HB2 LEU 49 -3.801 26.501 7.853 389 HB3 LEU 49 HB1 LEU 49 -4.519 28.103 7.722 390 HG LEU 49 HG LEU 49 -5.674 25.622 6.418 391 HD11 LEU 49 HD11 LEU 49 -6.410 26.993 9.023 392 HD12 LEU 49 HD12 LEU 49 -5.720 25.378 8.849 393 HD13 LEU 49 HD13 LEU 49 -7.348 25.710 8.258 394 HD21 LEU 49 HD21 LEU 49 -6.636 27.397 5.249 395 HD22 LEU 49 HD22 LEU 49 -6.504 28.512 6.608 396 HD23 LEU 49 HD23 LEU 49 -7.762 27.278 6.597 397 H ALA 50 HN ALA 50 -1.335 26.603 6.448 398 HA ALA 50 HA ALA 50 0.729 27.608 6.735 399 HB1 ALA 50 HB1 ALA 50 0.057 28.508 4.412 400 HB2 ALA 50 HB2 ALA 50 1.312 29.376 5.296 401 HB3 ALA 50 HB3 ALA 50 -0.333 30.009 5.251 402 H ASP 51 HN ASP 51 -1.516 28.057 8.622 403 HA ASP 51 HA ASP 51 -1.499 30.714 9.575 404 HB2 ASP 51 HB2 ASP 51 -2.125 28.101 10.974 405 HB3 ASP 51 HB1 ASP 51 -2.274 29.672 11.755 406 H TYR 52 HN TYR 52 0.615 27.954 10.239 407 HA TYR 52 HA TYR 52 2.574 27.788 11.468 408 HB2 TYR 52 HB2 TYR 52 3.355 29.258 9.678 409 HB3 TYR 52 HB1 TYR 52 2.779 30.670 10.560 410 HD1 TYR 52 HD1 TYR 52 5.148 27.799 10.734 411 HD2 TYR 52 HD2 TYR 52 4.087 31.662 12.283 412 HE1 TYR 52 HE1 TYR 52 7.280 27.878 11.998 413 HE2 TYR 52 HE2 TYR 52 6.218 31.742 13.546 414 HH TYR 52 HH TYR 52 8.517 29.016 13.440 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 39.938 -22.831 30.377 2 H2 GLY 1 HT2 GLY 1 40.249 -24.313 31.148 3 H3 GLY 1 HT3 GLY 1 40.977 -23.962 29.654 4 HA2 GLY 1 HA2 GLY 1 42.284 -23.692 31.899 5 HA3 GLY 1 HA1 GLY 1 42.533 -22.587 30.546 6 H SER 2 HN SER 2 39.444 -22.427 31.995 7 HA SER 2 HA SER 2 40.147 -20.393 33.953 8 HB2 SER 2 HB2 SER 2 40.095 -19.127 31.825 9 HB3 SER 2 HB1 SER 2 38.455 -19.695 31.530 10 HG SER 2 HG SER 2 38.483 -17.638 32.527 11 H VAL 3 HN VAL 3 37.672 -19.277 34.439 12 HA VAL 3 HA VAL 3 35.800 -21.547 34.722 13 HB VAL 3 HB VAL 3 35.294 -20.829 37.039 14 HG11 VAL 3 HG11 VAL 3 38.237 -21.445 36.716 15 HG12 VAL 3 HG12 VAL 3 36.972 -22.641 36.436 16 HG13 VAL 3 HG13 VAL 3 37.171 -21.927 38.036 17 HG21 VAL 3 HG21 VAL 3 36.609 -19.234 38.201 18 HG22 VAL 3 HG22 VAL 3 36.280 -18.466 36.652 19 HG23 VAL 3 HG23 VAL 3 37.850 -19.213 36.952 20 H GLU 4 HN GLU 4 36.280 -18.624 33.454 21 HA GLU 4 HA GLU 4 33.990 -17.144 34.238 22 HB2 GLU 4 HB2 GLU 4 35.625 -17.027 31.686 23 HB3 GLU 4 HB1 GLU 4 34.377 -15.864 32.130 24 HG2 GLU 4 HG2 GLU 4 36.768 -16.500 33.875 25 HG3 GLU 4 HG1 GLU 4 36.716 -15.150 32.743 26 H LYS 5 HN LYS 5 34.482 -19.744 31.953 27 HA LYS 5 HA LYS 5 32.163 -19.372 30.392 28 HB2 LYS 5 HB2 LYS 5 33.742 -21.880 31.022 29 HB3 LYS 5 HB1 LYS 5 32.387 -21.838 29.897 30 HG2 LYS 5 HG2 LYS 5 33.530 -20.113 28.564 31 HG3 LYS 5 HG1 LYS 5 34.887 -20.135 29.692 32 HD2 LYS 5 HD2 LYS 5 35.288 -22.512 29.171 33 HD3 LYS 5 HD1 LYS 5 33.929 -22.497 28.046 34 HE2 LYS 5 HE2 LYS 5 35.058 -20.768 26.696 35 HE3 LYS 5 HE1 LYS 5 36.416 -20.773 27.823 36 HZ1 LYS 5 HZ1 LYS 5 37.208 -22.278 26.367 37 HZ2 LYS 5 HZ2 LYS 5 35.671 -22.725 25.801 38 HZ3 LYS 5 HZ3 LYS 5 36.257 -23.355 27.265 39 H LEU 6 HN LEU 6 32.670 -21.000 33.497 40 HA LEU 6 HA LEU 6 30.141 -22.255 33.634 41 HB2 LEU 6 HB2 LEU 6 32.086 -21.412 35.796 42 HB3 LEU 6 HB1 LEU 6 30.554 -22.207 36.153 43 HG LEU 6 HG LEU 6 31.197 -24.090 34.679 44 HD11 LEU 6 HD11 LEU 6 33.649 -22.372 34.299 45 HD12 LEU 6 HD12 LEU 6 32.674 -23.196 33.081 46 HD13 LEU 6 HD13 LEU 6 33.749 -24.124 34.121 47 HD21 LEU 6 HD21 LEU 6 31.703 -24.151 37.103 48 HD22 LEU 6 HD22 LEU 6 33.270 -23.404 36.789 49 HD23 LEU 6 HD23 LEU 6 32.924 -25.020 36.173 50 H THR 7 HN THR 7 31.219 -18.996 34.509 51 HA THR 7 HA THR 7 28.630 -18.314 35.656 52 HB THR 7 HB THR 7 29.625 -16.071 35.941 53 HG1 THR 7 HG1 THR 7 32.095 -17.019 35.107 54 HG21 THR 7 HG21 THR 7 30.064 -18.101 37.504 55 HG22 THR 7 HG22 THR 7 31.089 -16.677 37.678 56 HG23 THR 7 HG23 THR 7 31.686 -18.089 36.810 57 H ALA 8 HN ALA 8 29.927 -18.530 32.569 58 HA ALA 8 HA ALA 8 28.818 -16.254 31.302 59 HB1 ALA 8 HB1 ALA 8 29.293 -18.988 30.073 60 HB2 ALA 8 HB2 ALA 8 30.506 -17.715 30.212 61 HB3 ALA 8 HB3 ALA 8 29.081 -17.468 29.206 62 H ASP 9 HN ASP 9 27.406 -19.223 32.423 63 HA ASP 9 HA ASP 9 25.082 -19.252 30.813 64 HB2 ASP 9 HB2 ASP 9 25.607 -20.347 33.588 65 HB3 ASP 9 HB1 ASP 9 24.088 -20.582 32.727 66 H ALA 10 HN ALA 10 25.967 -17.399 33.641 67 HA ALA 10 HA ALA 10 23.386 -16.577 34.443 68 HB1 ALA 10 HB1 ALA 10 24.518 -14.677 35.547 69 HB2 ALA 10 HB2 ALA 10 26.013 -15.077 34.706 70 HB3 ALA 10 HB3 ALA 10 25.334 -16.203 35.882 71 H GLU 11 HN GLU 11 25.438 -15.565 31.807 72 HA GLU 11 HA GLU 11 24.258 -13.054 31.293 73 HB2 GLU 11 HB2 GLU 11 25.676 -14.996 29.446 74 HB3 GLU 11 HB1 GLU 11 25.119 -13.402 28.940 75 HG2 GLU 11 HG2 GLU 11 26.502 -12.320 30.604 76 HG3 GLU 11 HG1 GLU 11 26.957 -13.875 31.299 77 H LEU 12 HN LEU 12 23.328 -16.334 30.347 78 HA LEU 12 HA LEU 12 21.306 -15.539 28.501 79 HB2 LEU 12 HB2 LEU 12 21.708 -18.122 30.032 80 HB3 LEU 12 HB1 LEU 12 20.429 -17.884 28.848 81 HG LEU 12 HG LEU 12 23.377 -17.494 28.238 82 HD11 LEU 12 HD11 LEU 12 22.968 -19.828 28.822 83 HD12 LEU 12 HD12 LEU 12 23.195 -19.689 27.079 84 HD13 LEU 12 HD13 LEU 12 21.573 -19.879 27.745 85 HD21 LEU 12 HD21 LEU 12 20.828 -17.380 26.630 86 HD22 LEU 12 HD22 LEU 12 22.304 -17.941 25.847 87 HD23 LEU 12 HD23 LEU 12 22.244 -16.332 26.554 88 H GLN 13 HN GLN 13 21.424 -15.873 31.965 89 HA GLN 13 HA GLN 13 18.655 -16.044 32.470 90 HB2 GLN 13 HB2 GLN 13 20.389 -16.479 34.206 91 HB3 GLN 13 HB1 GLN 13 20.753 -14.756 34.255 92 HG2 GLN 13 HG2 GLN 13 19.214 -15.306 36.059 93 HG3 GLN 13 HG1 GLN 13 18.374 -14.312 34.873 94 HE21 GLN 13 HE21 GLN 13 18.977 -17.824 35.500 95 HE22 GLN 13 HE22 GLN 13 17.410 -18.310 35.069 96 H ARG 14 HN ARG 14 20.766 -13.275 31.856 97 HA ARG 14 HA ARG 14 18.951 -11.257 32.615 98 HB2 ARG 14 HB2 ARG 14 21.339 -10.789 32.192 99 HB3 ARG 14 HB1 ARG 14 21.097 -11.087 30.472 100 HG2 ARG 14 HG2 ARG 14 19.459 -9.248 30.376 101 HG3 ARG 14 HG1 ARG 14 19.679 -8.960 32.102 102 HD2 ARG 14 HD2 ARG 14 21.879 -8.787 30.026 103 HD3 ARG 14 HD1 ARG 14 21.016 -7.408 30.691 104 HE ARG 14 HE ARG 14 22.036 -7.824 32.819 105 HH11 ARG 14 HH11 ARG 14 23.940 -8.400 33.885 106 HH12 ARG 14 HH12 ARG 14 25.052 -9.501 33.143 107 HH21 ARG 14 HH21 ARG 14 23.147 -9.939 30.288 108 HH22 ARG 14 HH22 ARG 14 24.604 -10.366 31.116 109 H LEU 15 HN LEU 15 19.308 -13.058 29.580 110 HA LEU 15 HA LEU 15 17.541 -11.467 28.053 111 HB2 LEU 15 HB2 LEU 15 18.384 -14.361 27.774 112 HB3 LEU 15 HB1 LEU 15 17.250 -13.602 26.666 113 HG LEU 15 HG LEU 15 19.622 -13.549 25.865 114 HD11 LEU 15 HD11 LEU 15 19.400 -11.474 24.877 115 HD12 LEU 15 HD12 LEU 15 18.900 -10.679 26.367 116 HD13 LEU 15 HD13 LEU 15 17.755 -11.679 25.472 117 HD21 LEU 15 HD21 LEU 15 20.501 -13.203 28.262 118 HD22 LEU 15 HD22 LEU 15 20.115 -11.497 28.026 119 HD23 LEU 15 HD23 LEU 15 21.289 -12.289 26.978 120 H LYS 16 HN LYS 16 16.982 -14.161 30.275 121 HA LYS 16 HA LYS 16 14.268 -14.579 29.618 122 HB2 LYS 16 HB2 LYS 16 15.531 -16.206 30.963 123 HB3 LYS 16 HB1 LYS 16 15.630 -15.055 32.293 124 HG2 LYS 16 HG2 LYS 16 13.173 -15.022 32.465 125 HG3 LYS 16 HG1 LYS 16 13.060 -16.142 31.107 126 HD2 LYS 16 HD2 LYS 16 14.336 -17.823 32.395 127 HD3 LYS 16 HD1 LYS 16 14.424 -16.705 33.756 128 HE2 LYS 16 HE2 LYS 16 11.849 -17.740 32.535 129 HE3 LYS 16 HE1 LYS 16 12.579 -18.356 34.017 130 HZ1 LYS 16 HZ1 LYS 16 11.145 -16.810 34.853 131 HZ2 LYS 16 HZ2 LYS 16 11.282 -15.775 33.513 132 HZ3 LYS 16 HZ3 LYS 16 12.527 -15.844 34.666 133 H ASN 17 HN ASN 17 15.833 -12.312 31.859 134 HA ASN 17 HA ASN 17 13.310 -11.334 32.882 135 HB2 ASN 17 HB2 ASN 17 16.155 -10.342 33.178 136 HB3 ASN 17 HB1 ASN 17 14.766 -9.556 33.922 137 HD21 ASN 17 HD21 ASN 17 16.902 -10.788 35.454 138 HD22 ASN 17 HD22 ASN 17 16.229 -12.093 36.304 139 H GLU 18 HN GLU 18 15.122 -10.813 30.069 140 HA GLU 18 HA GLU 18 14.641 -8.059 29.629 141 HB2 GLU 18 HB2 GLU 18 16.291 -9.329 28.294 142 HB3 GLU 18 HB1 GLU 18 14.981 -10.220 27.523 143 HG2 GLU 18 HG2 GLU 18 14.056 -8.135 26.627 144 HG3 GLU 18 HG1 GLU 18 15.318 -7.211 27.442 145 H ARG 19 HN ARG 19 12.697 -10.941 29.000 146 HA ARG 19 HA ARG 19 10.495 -11.189 28.337 147 HB2 ARG 19 HB2 ARG 19 10.321 -8.400 29.510 148 HB3 ARG 19 HB1 ARG 19 8.938 -9.410 29.094 149 HG2 ARG 19 HG2 ARG 19 9.730 -11.145 30.663 150 HG3 ARG 19 HG1 ARG 19 11.103 -10.125 31.092 151 HD2 ARG 19 HD2 ARG 19 9.535 -8.366 31.865 152 HD3 ARG 19 HD1 ARG 19 8.181 -9.426 31.484 153 HE ARG 19 HE ARG 19 9.970 -9.652 33.760 154 HH11 ARG 19 HH11 ARG 19 9.419 -11.266 35.260 155 HH12 ARG 19 HH12 ARG 19 8.246 -12.469 34.836 156 HH21 ARG 19 HH21 ARG 19 7.700 -11.199 31.656 157 HH22 ARG 19 HH22 ARG 19 7.274 -12.432 32.796 158 H HIS 20 HN HIS 20 12.348 -10.322 26.375 159 HA HIS 20 HA HIS 20 11.415 -8.152 24.833 160 HB2 HIS 20 HB2 HIS 20 13.642 -9.075 24.450 161 HB3 HIS 20 HB1 HIS 20 12.952 -10.604 23.906 162 HD2 HIS 20 HD2 HIS 20 12.400 -10.649 21.194 163 HE1 HIS 20 HE1 HIS 20 12.566 -6.489 20.495 164 HE2 HIS 20 HE2 HIS 20 12.301 -8.761 19.393 165 H GLU 21 HN GLU 21 10.505 -11.580 24.843 166 HA GLU 21 HA GLU 21 8.938 -11.512 22.495 167 HB2 GLU 21 HB2 GLU 21 8.815 -13.332 24.913 168 HB3 GLU 21 HB1 GLU 21 7.767 -13.526 23.508 169 HG2 GLU 21 HG2 GLU 21 9.660 -13.846 22.049 170 HG3 GLU 21 HG1 GLU 21 10.791 -13.429 23.333 171 H GLU 22 HN GLU 22 8.162 -10.714 25.861 172 HA GLU 22 HA GLU 22 5.359 -10.472 25.463 173 HB2 GLU 22 HB2 GLU 22 7.177 -9.246 27.557 174 HB3 GLU 22 HB1 GLU 22 5.427 -9.040 27.544 175 HG2 GLU 22 HG2 GLU 22 5.110 -11.458 27.662 176 HG3 GLU 22 HG1 GLU 22 6.850 -11.712 27.589 177 H ALA 23 HN ALA 23 8.063 -8.273 25.040 178 HA ALA 23 HA ALA 23 6.588 -5.886 24.709 179 HB1 ALA 23 HB1 ALA 23 9.252 -6.642 23.467 180 HB2 ALA 23 HB2 ALA 23 9.022 -5.845 25.024 181 HB3 ALA 23 HB3 ALA 23 8.576 -5.016 23.534 182 H GLU 24 HN GLU 24 7.123 -8.598 22.600 183 HA GLU 24 HA GLU 24 6.571 -7.345 20.133 184 HB2 GLU 24 HB2 GLU 24 7.555 -9.601 20.245 185 HB3 GLU 24 HB1 GLU 24 6.060 -10.236 20.925 186 HG2 GLU 24 HG2 GLU 24 6.133 -10.681 18.529 187 HG3 GLU 24 HG1 GLU 24 4.853 -9.522 18.868 188 H LEU 25 HN LEU 25 4.461 -8.678 22.636 189 HA LEU 25 HA LEU 25 2.057 -8.584 21.165 190 HB2 LEU 25 HB2 LEU 25 2.578 -8.442 24.147 191 HB3 LEU 25 HB1 LEU 25 0.958 -8.416 23.463 192 HG LEU 25 HG LEU 25 1.687 -10.695 24.156 193 HD11 LEU 25 HD11 LEU 25 0.648 -11.753 22.387 194 HD12 LEU 25 HD12 LEU 25 1.520 -10.833 21.165 195 HD13 LEU 25 HD13 LEU 25 0.181 -10.091 22.040 196 HD21 LEU 25 HD21 LEU 25 3.495 -11.820 23.129 197 HD22 LEU 25 HD22 LEU 25 4.128 -10.210 23.470 198 HD23 LEU 25 HD23 LEU 25 3.615 -10.630 21.835 199 H GLU 26 HN GLU 26 3.789 -6.135 23.022 200 HA GLU 26 HA GLU 26 1.743 -4.184 23.022 201 HB2 GLU 26 HB2 GLU 26 3.699 -4.032 24.519 202 HB3 GLU 26 HB1 GLU 26 4.744 -3.729 23.133 203 HG2 GLU 26 HG2 GLU 26 3.487 -1.690 22.603 204 HG3 GLU 26 HG1 GLU 26 2.385 -2.006 23.943 205 H ARG 27 HN ARG 27 4.235 -4.993 20.655 206 HA ARG 27 HA ARG 27 3.877 -2.686 19.024 207 HB2 ARG 27 HB2 ARG 27 5.047 -5.408 18.425 208 HB3 ARG 27 HB1 ARG 27 5.012 -4.090 17.256 209 HG2 ARG 27 HG2 ARG 27 6.285 -2.658 18.796 210 HG3 ARG 27 HG1 ARG 27 6.307 -3.947 19.999 211 HD2 ARG 27 HD2 ARG 27 7.535 -5.399 18.432 212 HD3 ARG 27 HD1 ARG 27 7.505 -4.119 17.221 213 HE ARG 27 HE ARG 27 8.662 -3.085 19.570 214 HH11 ARG 27 HH11 ARG 27 10.924 -2.913 19.696 215 HH12 ARG 27 HH12 ARG 27 11.919 -3.879 18.659 216 HH21 ARG 27 HH21 ARG 27 9.241 -5.433 17.096 217 HH22 ARG 27 HH22 ARG 27 10.966 -5.307 17.187 218 H LEU 28 HN LEU 28 1.986 -5.524 19.427 219 HA LEU 28 HA LEU 28 0.879 -5.740 16.831 220 HB2 LEU 28 HB2 LEU 28 -0.241 -6.550 19.518 221 HB3 LEU 28 HB1 LEU 28 -1.045 -6.892 17.993 222 HG LEU 28 HG LEU 28 1.790 -7.761 18.643 223 HD11 LEU 28 HD11 LEU 28 0.897 -9.951 19.092 224 HD12 LEU 28 HD12 LEU 28 -0.721 -9.451 18.609 225 HD13 LEU 28 HD13 LEU 28 -0.005 -8.808 20.085 226 HD21 LEU 28 HD21 LEU 28 1.693 -7.825 16.315 227 HD22 LEU 28 HD22 LEU 28 -0.048 -8.098 16.282 228 HD23 LEU 28 HD23 LEU 28 1.046 -9.419 16.686 229 H LYS 29 HN LYS 29 0.140 -3.559 19.484 230 HA LYS 29 HA LYS 29 -2.455 -2.799 18.792 231 HB2 LYS 29 HB2 LYS 29 -2.099 -0.770 20.015 232 HB3 LYS 29 HB1 LYS 29 -1.187 -2.029 20.840 233 HG2 LYS 29 HG2 LYS 29 0.872 -1.264 19.619 234 HG3 LYS 29 HG1 LYS 29 -0.069 0.051 18.925 235 HD2 LYS 29 HD2 LYS 29 -0.593 0.886 21.180 236 HD3 LYS 29 HD1 LYS 29 0.357 -0.421 21.885 237 HE2 LYS 29 HE2 LYS 29 2.368 0.407 20.719 238 HE3 LYS 29 HE1 LYS 29 1.421 1.715 20.014 239 HZ1 LYS 29 HZ1 LYS 29 1.448 1.340 22.932 240 HZ2 LYS 29 HZ2 LYS 29 1.180 2.756 22.032 241 HZ3 LYS 29 HZ3 LYS 29 2.750 2.121 22.178 242 H SER 30 HN SER 30 0.591 -1.973 17.288 243 HA SER 30 HA SER 30 -0.263 0.254 15.792 244 HB2 SER 30 HB2 SER 30 1.911 -1.773 15.196 245 HB3 SER 30 HB1 SER 30 1.645 -0.303 14.265 246 HG SER 30 HG SER 30 3.191 -0.291 16.138 247 H GLU 31 HN GLU 31 -0.506 -3.225 15.166 248 HA GLU 31 HA GLU 31 -1.348 -3.023 12.477 249 HB2 GLU 31 HB2 GLU 31 -0.595 -5.159 13.443 250 HB3 GLU 31 HB1 GLU 31 -2.016 -5.203 14.480 251 HG2 GLU 31 HG2 GLU 31 -2.391 -6.596 12.514 252 HG3 GLU 31 HG1 GLU 31 -3.463 -5.203 12.453 253 H ALA 32 HN ALA 32 -3.094 -2.858 15.543 254 HA ALA 32 HA ALA 32 -5.720 -3.022 14.528 255 HB1 ALA 32 HB1 ALA 32 -6.421 -1.948 16.625 256 HB2 ALA 32 HB2 ALA 32 -4.748 -1.516 16.974 257 HB3 ALA 32 HB3 ALA 32 -5.234 -3.214 16.934 258 H ALA 33 HN ALA 33 -3.381 -0.505 14.353 259 HA ALA 33 HA ALA 33 -5.060 1.746 14.174 260 HB1 ALA 33 HB1 ALA 33 -2.638 2.008 14.388 261 HB2 ALA 33 HB2 ALA 33 -3.216 2.840 12.946 262 HB3 ALA 33 HB3 ALA 33 -2.393 1.291 12.795 263 H ASP 34 HN ASP 34 -4.209 -0.709 11.796 264 HA ASP 34 HA ASP 34 -5.147 0.638 9.503 265 HB2 ASP 34 HB2 ASP 34 -4.895 -2.318 10.113 266 HB3 ASP 34 HB1 ASP 34 -5.426 -1.697 8.552 267 H HIS 35 HN HIS 35 -6.837 -1.296 11.947 268 HA HIS 35 HA HIS 35 -9.355 -1.133 10.471 269 HB2 HIS 35 HB2 HIS 35 -8.727 -2.285 13.203 270 HB3 HIS 35 HB1 HIS 35 -10.270 -2.422 12.360 271 HD2 HIS 35 HD2 HIS 35 -6.972 -4.328 12.564 272 HE1 HIS 35 HE1 HIS 35 -8.827 -5.613 8.995 273 HE2 HIS 35 HE2 HIS 35 -6.943 -6.085 10.633 274 H ASP 36 HN ASP 36 -7.622 0.832 12.571 275 HA ASP 36 HA ASP 36 -9.814 1.918 14.087 276 HB2 ASP 36 HB2 ASP 36 -7.003 2.919 13.581 277 HB3 ASP 36 HB1 ASP 36 -8.169 3.772 14.588 278 H LYS 37 HN LYS 37 -8.783 2.239 10.879 279 HA LYS 37 HA LYS 37 -9.342 4.940 10.327 280 HB2 LYS 37 HB2 LYS 37 -9.540 4.247 7.996 281 HB3 LYS 37 HB1 LYS 37 -8.180 3.422 8.756 282 HG2 LYS 37 HG2 LYS 37 -9.633 1.436 9.139 283 HG3 LYS 37 HG1 LYS 37 -10.948 2.259 8.298 284 HD2 LYS 37 HD2 LYS 37 -9.508 2.441 6.278 285 HD3 LYS 37 HD1 LYS 37 -8.253 1.529 7.117 286 HE2 LYS 37 HE2 LYS 37 -11.063 0.528 6.573 287 HE3 LYS 37 HE1 LYS 37 -9.627 0.065 5.660 288 HZ1 LYS 37 HZ1 LYS 37 -10.093 -0.397 8.556 289 HZ2 LYS 37 HZ2 LYS 37 -8.657 -0.773 7.730 290 HZ3 LYS 37 HZ3 LYS 37 -10.103 -1.576 7.336 291 H LYS 38 HN LYS 38 -11.450 2.223 10.855 292 HA LYS 38 HA LYS 38 -13.774 3.220 9.604 293 HB2 LYS 38 HB2 LYS 38 -13.437 1.296 11.924 294 HB3 LYS 38 HB1 LYS 38 -14.998 1.708 11.216 295 HG2 LYS 38 HG2 LYS 38 -14.342 0.858 9.066 296 HG3 LYS 38 HG1 LYS 38 -12.667 0.683 9.583 297 HD2 LYS 38 HD2 LYS 38 -13.644 -1.512 9.645 298 HD3 LYS 38 HD1 LYS 38 -13.481 -0.980 11.316 299 HE2 LYS 38 HE2 LYS 38 -15.827 -0.411 11.437 300 HE3 LYS 38 HE1 LYS 38 -16.032 -0.683 9.707 301 HZ1 LYS 38 HZ1 LYS 38 -16.331 -2.834 10.070 302 HZ2 LYS 38 HZ2 LYS 38 -16.328 -2.524 11.742 303 HZ3 LYS 38 HZ3 LYS 38 -14.886 -2.953 10.951 304 H GLU 39 HN GLU 39 -12.388 3.787 12.808 305 HA GLU 39 HA GLU 39 -14.615 5.130 13.919 306 HB2 GLU 39 HB2 GLU 39 -11.659 5.297 14.569 307 HB3 GLU 39 HB1 GLU 39 -12.908 6.141 15.484 308 HG2 GLU 39 HG2 GLU 39 -13.999 4.049 16.039 309 HG3 GLU 39 HG1 GLU 39 -12.900 3.151 14.993 310 H ALA 40 HN ALA 40 -11.985 6.208 11.839 311 HA ALA 40 HA ALA 40 -12.302 8.986 12.178 312 HB1 ALA 40 HB1 ALA 40 -10.354 8.062 11.018 313 HB2 ALA 40 HB2 ALA 40 -11.195 9.213 9.983 314 HB3 ALA 40 HB3 ALA 40 -11.384 7.484 9.707 315 H GLU 41 HN GLU 41 -14.218 6.661 10.430 316 HA GLU 41 HA GLU 41 -15.479 8.419 8.617 317 HB2 GLU 41 HB2 GLU 41 -16.443 5.820 9.844 318 HB3 GLU 41 HB1 GLU 41 -17.341 6.708 8.616 319 HG2 GLU 41 HG2 GLU 41 -15.507 6.522 7.049 320 HG3 GLU 41 HG1 GLU 41 -14.472 5.802 8.281 321 H ARG 42 HN ARG 42 -16.136 7.656 12.007 322 HA ARG 42 HA ARG 42 -18.656 8.916 12.176 323 HB2 ARG 42 HB2 ARG 42 -17.853 7.424 13.952 324 HB3 ARG 42 HB1 ARG 42 -16.586 8.576 14.374 325 HG2 ARG 42 HG2 ARG 42 -18.240 10.247 14.986 326 HG3 ARG 42 HG1 ARG 42 -19.549 9.210 14.418 327 HD2 ARG 42 HD2 ARG 42 -17.632 8.453 16.637 328 HD3 ARG 42 HD1 ARG 42 -19.223 9.157 16.910 329 HE ARG 42 HE ARG 42 -19.570 6.925 15.256 330 HH11 ARG 42 HH11 ARG 42 -20.219 4.944 16.161 331 HH12 ARG 42 HH12 ARG 42 -19.955 4.640 17.846 332 HH21 ARG 42 HH21 ARG 42 -18.474 7.719 18.441 333 HH22 ARG 42 HH22 ARG 42 -18.967 6.210 19.137 334 H LYS 43 HN LYS 43 -15.361 10.182 12.449 335 HA LYS 43 HA LYS 43 -16.076 12.772 13.370 336 HB2 LYS 43 HB2 LYS 43 -13.630 11.784 11.882 337 HB3 LYS 43 HB1 LYS 43 -13.799 13.417 12.523 338 HG2 LYS 43 HG2 LYS 43 -14.139 12.504 14.788 339 HG3 LYS 43 HG1 LYS 43 -13.972 10.866 14.155 340 HD2 LYS 43 HD2 LYS 43 -11.683 11.361 13.420 341 HD3 LYS 43 HD1 LYS 43 -11.842 13.019 13.996 342 HE2 LYS 43 HE2 LYS 43 -10.657 11.676 15.665 343 HE3 LYS 43 HE1 LYS 43 -12.231 12.159 16.296 344 HZ1 LYS 43 HZ1 LYS 43 -13.029 10.058 16.186 345 HZ2 LYS 43 HZ2 LYS 43 -11.386 9.675 16.388 346 HZ3 LYS 43 HZ3 LYS 43 -12.088 9.634 14.840 347 H ALA 44 HN ALA 44 -16.192 11.271 10.258 348 HA ALA 44 HA ALA 44 -15.998 13.547 8.603 349 HB1 ALA 44 HB1 ALA 44 -15.935 11.232 7.717 350 HB2 ALA 44 HB2 ALA 44 -17.129 12.227 6.889 351 HB3 ALA 44 HB3 ALA 44 -17.650 11.054 8.097 352 H LEU 45 HN LEU 45 -18.524 12.450 10.688 353 HA LEU 45 HA LEU 45 -20.724 13.708 9.450 354 HB2 LEU 45 HB2 LEU 45 -21.061 12.052 11.220 355 HB3 LEU 45 HB1 LEU 45 -20.300 13.113 12.402 356 HG LEU 45 HG LEU 45 -22.083 14.794 12.030 357 HD11 LEU 45 HD11 LEU 45 -22.860 14.521 9.835 358 HD12 LEU 45 HD12 LEU 45 -24.160 13.785 10.765 359 HD13 LEU 45 HD13 LEU 45 -22.955 12.765 9.978 360 HD21 LEU 45 HD21 LEU 45 -23.851 13.566 13.163 361 HD22 LEU 45 HD22 LEU 45 -22.292 12.998 13.762 362 HD23 LEU 45 HD23 LEU 45 -23.194 12.030 12.597 363 H GLU 46 HN GLU 46 -18.296 14.931 11.734 364 HA GLU 46 HA GLU 46 -19.541 17.415 12.237 365 HB2 GLU 46 HB2 GLU 46 -16.627 16.588 12.369 366 HB3 GLU 46 HB1 GLU 46 -17.210 18.181 12.847 367 HG2 GLU 46 HG2 GLU 46 -18.661 17.212 14.526 368 HG3 GLU 46 HG1 GLU 46 -18.277 15.583 13.976 369 H ASP 47 HN ASP 47 -17.403 16.317 9.641 370 HA ASP 47 HA ASP 47 -16.842 18.848 8.536 371 HB2 ASP 47 HB2 ASP 47 -16.922 16.097 7.269 372 HB3 ASP 47 HB1 ASP 47 -16.442 17.548 6.394 373 H LYS 48 HN LYS 48 -19.590 16.655 8.106 374 HA LYS 48 HA LYS 48 -21.615 16.940 7.007 375 HB2 LYS 48 HB2 LYS 48 -20.951 19.838 7.598 376 HB3 LYS 48 HB1 LYS 48 -22.528 19.246 7.075 377 HG2 LYS 48 HG2 LYS 48 -22.641 17.786 9.065 378 HG3 LYS 48 HG1 LYS 48 -21.070 18.390 9.594 379 HD2 LYS 48 HD2 LYS 48 -21.979 20.674 9.733 380 HD3 LYS 48 HD1 LYS 48 -23.548 20.090 9.179 381 HE2 LYS 48 HE2 LYS 48 -23.555 20.291 11.620 382 HE3 LYS 48 HE1 LYS 48 -23.665 18.592 11.159 383 HZ1 LYS 48 HZ1 LYS 48 -21.268 18.399 11.483 384 HZ2 LYS 48 HZ2 LYS 48 -22.047 18.896 12.910 385 HZ3 LYS 48 HZ3 LYS 48 -21.191 20.022 11.968 386 H LEU 49 HN LEU 49 -19.297 16.692 5.337 387 HA LEU 49 HA LEU 49 -18.645 16.978 3.131 388 HB2 LEU 49 HB2 LEU 49 -21.486 17.976 2.791 389 HB3 LEU 49 HB1 LEU 49 -20.422 17.380 1.519 390 HG LEU 49 HG LEU 49 -21.399 15.755 3.886 391 HD11 LEU 49 HD11 LEU 49 -23.128 16.347 2.146 392 HD12 LEU 49 HD12 LEU 49 -22.826 14.616 2.301 393 HD13 LEU 49 HD13 LEU 49 -22.128 15.515 0.954 394 HD21 LEU 49 HD21 LEU 49 -20.472 13.880 2.285 395 HD22 LEU 49 HD22 LEU 49 -19.343 14.778 3.297 396 HD23 LEU 49 HD23 LEU 49 -19.520 15.194 1.592 397 H ALA 50 HN ALA 50 -18.292 19.175 5.045 398 HA ALA 50 HA ALA 50 -18.888 21.672 3.884 399 HB1 ALA 50 HB1 ALA 50 -18.243 21.686 6.176 400 HB2 ALA 50 HB2 ALA 50 -16.965 22.528 5.303 401 HB3 ALA 50 HB3 ALA 50 -16.718 20.867 5.838 402 H ASP 51 HN ASP 51 -16.157 19.471 3.378 403 HA ASP 51 HA ASP 51 -14.513 21.263 1.960 404 HB2 ASP 51 HB2 ASP 51 -13.689 19.092 2.794 405 HB3 ASP 51 HB1 ASP 51 -14.677 18.254 1.600 406 H TYR 52 HN TYR 52 -17.198 19.215 0.849 407 HA TYR 52 HA TYR 52 -16.749 19.772 -1.930 408 HB2 TYR 52 HB2 TYR 52 -19.222 18.759 -0.502 409 HB3 TYR 52 HB1 TYR 52 -18.999 18.794 -2.251 410 HD1 TYR 52 HD1 TYR 52 -18.033 17.160 0.886 411 HD2 TYR 52 HD2 TYR 52 -17.343 17.337 -3.348 412 HE1 TYR 52 HE1 TYR 52 -16.841 14.988 0.991 413 HE2 TYR 52 HE2 TYR 52 -16.150 15.164 -3.244 414 HH TYR 52 HH TYR 52 -14.893 13.843 -1.462 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 25.427 -11.868 15.714 2 H2 GLY 1 HT2 GLY 1 25.724 -10.294 16.280 3 H3 GLY 1 HT3 GLY 1 26.213 -11.638 17.200 4 HA2 GLY 1 HA2 GLY 1 27.271 -11.538 14.503 5 HA3 GLY 1 HA1 GLY 1 27.847 -10.277 15.595 6 H SER 2 HN SER 2 29.214 -12.681 14.455 7 HA SER 2 HA SER 2 29.589 -14.637 16.444 8 HB2 SER 2 HB2 SER 2 30.282 -15.035 14.144 9 HB3 SER 2 HB1 SER 2 31.487 -13.758 14.246 10 HG SER 2 HG SER 2 31.577 -15.668 16.244 11 H VAL 3 HN VAL 3 31.232 -11.541 15.877 12 HA VAL 3 HA VAL 3 33.286 -11.911 17.787 13 HB VAL 3 HB VAL 3 32.057 -9.382 16.648 14 HG11 VAL 3 HG11 VAL 3 34.332 -9.767 18.606 15 HG12 VAL 3 HG12 VAL 3 32.914 -8.735 18.787 16 HG13 VAL 3 HG13 VAL 3 34.165 -8.317 17.617 17 HG21 VAL 3 HG21 VAL 3 34.638 -10.909 16.179 18 HG22 VAL 3 HG22 VAL 3 34.334 -9.291 15.552 19 HG23 VAL 3 HG23 VAL 3 33.336 -10.641 15.021 20 H GLU 4 HN GLU 4 29.990 -10.667 18.050 21 HA GLU 4 HA GLU 4 30.155 -9.680 20.677 22 HB2 GLU 4 HB2 GLU 4 28.245 -9.188 19.186 23 HB3 GLU 4 HB1 GLU 4 27.715 -10.866 19.310 24 HG2 GLU 4 HG2 GLU 4 27.434 -10.618 21.735 25 HG3 GLU 4 HG1 GLU 4 28.023 -8.960 21.645 26 H LYS 5 HN LYS 5 29.632 -12.960 19.463 27 HA LYS 5 HA LYS 5 28.768 -14.123 21.870 28 HB2 LYS 5 HB2 LYS 5 30.244 -15.327 19.516 29 HB3 LYS 5 HB1 LYS 5 29.651 -16.274 20.879 30 HG2 LYS 5 HG2 LYS 5 27.366 -15.458 20.467 31 HG3 LYS 5 HG1 LYS 5 27.951 -14.495 19.109 32 HD2 LYS 5 HD2 LYS 5 28.714 -16.549 17.975 33 HD3 LYS 5 HD1 LYS 5 28.133 -17.515 19.330 34 HE2 LYS 5 HE2 LYS 5 25.838 -16.709 18.932 35 HE3 LYS 5 HE1 LYS 5 26.413 -15.733 17.581 36 HZ1 LYS 5 HZ1 LYS 5 26.514 -18.691 17.802 37 HZ2 LYS 5 HZ2 LYS 5 27.220 -17.798 16.543 38 HZ3 LYS 5 HZ3 LYS 5 25.535 -17.786 16.755 39 H LEU 6 HN LEU 6 32.061 -13.462 20.686 40 HA LEU 6 HA LEU 6 33.401 -14.962 22.675 41 HB2 LEU 6 HB2 LEU 6 34.295 -12.605 20.999 42 HB3 LEU 6 HB1 LEU 6 35.341 -13.357 22.197 43 HG LEU 6 HG LEU 6 34.978 -15.560 21.063 44 HD11 LEU 6 HD11 LEU 6 32.920 -15.313 19.917 45 HD12 LEU 6 HD12 LEU 6 34.127 -15.304 18.634 46 HD13 LEU 6 HD13 LEU 6 33.415 -13.788 19.184 47 HD21 LEU 6 HD21 LEU 6 36.484 -15.085 19.210 48 HD22 LEU 6 HD22 LEU 6 36.934 -14.074 20.581 49 HD23 LEU 6 HD23 LEU 6 36.030 -13.381 19.235 50 H THR 7 HN THR 7 32.142 -11.652 22.661 51 HA THR 7 HA THR 7 33.301 -11.050 25.252 52 HB THR 7 HB THR 7 32.022 -8.940 25.056 53 HG1 THR 7 HG1 THR 7 30.233 -9.495 23.963 54 HG21 THR 7 HG21 THR 7 34.283 -9.437 23.861 55 HG22 THR 7 HG22 THR 7 33.375 -8.006 23.380 56 HG23 THR 7 HG23 THR 7 33.316 -9.459 22.386 57 H ALA 8 HN ALA 8 30.603 -12.736 24.143 58 HA ALA 8 HA ALA 8 28.679 -13.531 25.167 59 HB1 ALA 8 HB1 ALA 8 28.936 -14.259 27.414 60 HB2 ALA 8 HB2 ALA 8 30.139 -13.016 27.760 61 HB3 ALA 8 HB3 ALA 8 30.544 -14.364 26.697 62 H ASP 9 HN ASP 9 29.013 -10.589 24.751 63 HA ASP 9 HA ASP 9 27.897 -9.168 26.921 64 HB2 ASP 9 HB2 ASP 9 27.917 -8.573 23.952 65 HB3 ASP 9 HB1 ASP 9 27.234 -7.479 25.149 66 H ALA 10 HN ALA 10 26.426 -11.003 24.293 67 HA ALA 10 HA ALA 10 23.776 -10.103 24.617 68 HB1 ALA 10 HB1 ALA 10 24.760 -12.808 23.657 69 HB2 ALA 10 HB2 ALA 10 24.411 -11.400 22.653 70 HB3 ALA 10 HB3 ALA 10 23.106 -12.216 23.509 71 H GLU 11 HN GLU 11 25.694 -12.372 26.451 72 HA GLU 11 HA GLU 11 23.548 -13.693 27.766 73 HB2 GLU 11 HB2 GLU 11 26.436 -13.325 28.606 74 HB3 GLU 11 HB1 GLU 11 25.285 -14.399 29.400 75 HG2 GLU 11 HG2 GLU 11 25.982 -14.561 26.457 76 HG3 GLU 11 HG1 GLU 11 26.745 -15.547 27.702 77 H LEU 12 HN LEU 12 25.163 -10.638 28.319 78 HA LEU 12 HA LEU 12 24.429 -10.297 31.029 79 HB2 LEU 12 HB2 LEU 12 25.050 -8.259 28.877 80 HB3 LEU 12 HB1 LEU 12 24.705 -7.820 30.545 81 HG LEU 12 HG LEU 12 26.888 -9.768 29.737 82 HD11 LEU 12 HD11 LEU 12 28.438 -7.872 30.189 83 HD12 LEU 12 HD12 LEU 12 27.043 -6.807 30.368 84 HD13 LEU 12 HD13 LEU 12 27.382 -7.564 28.810 85 HD21 LEU 12 HD21 LEU 12 25.957 -8.558 32.336 86 HD22 LEU 12 HD22 LEU 12 27.676 -8.886 32.127 87 HD23 LEU 12 HD23 LEU 12 26.510 -10.199 32.000 88 H GLN 13 HN GLN 13 22.692 -9.573 28.020 89 HA GLN 13 HA GLN 13 20.569 -8.152 29.250 90 HB2 GLN 13 HB2 GLN 13 20.740 -9.618 26.605 91 HB3 GLN 13 HB1 GLN 13 19.291 -8.768 27.138 92 HG2 GLN 13 HG2 GLN 13 20.601 -7.260 25.767 93 HG3 GLN 13 HG1 GLN 13 20.678 -6.701 27.437 94 HE21 GLN 13 HE21 GLN 13 22.769 -5.862 27.662 95 HE22 GLN 13 HE22 GLN 13 24.186 -6.689 27.225 96 H ARG 14 HN ARG 14 21.111 -11.599 28.666 97 HA ARG 14 HA ARG 14 18.499 -12.468 29.286 98 HB2 ARG 14 HB2 ARG 14 21.163 -13.898 29.504 99 HB3 ARG 14 HB1 ARG 14 19.610 -14.674 29.808 100 HG2 ARG 14 HG2 ARG 14 18.856 -14.132 27.550 101 HG3 ARG 14 HG1 ARG 14 20.355 -13.256 27.235 102 HD2 ARG 14 HD2 ARG 14 20.487 -15.502 26.270 103 HD3 ARG 14 HD1 ARG 14 21.634 -15.348 27.597 104 HE ARG 14 HE ARG 14 20.385 -16.903 28.805 105 HH11 ARG 14 HH11 ARG 14 18.731 -18.451 28.982 106 HH12 ARG 14 HH12 ARG 14 17.441 -18.468 27.828 107 HH21 ARG 14 HH21 ARG 14 18.671 -15.775 26.019 108 HH22 ARG 14 HH22 ARG 14 17.407 -16.953 26.149 109 H LEU 15 HN LEU 15 21.289 -11.725 31.341 110 HA LEU 15 HA LEU 15 20.232 -12.797 33.737 111 HB2 LEU 15 HB2 LEU 15 22.247 -10.576 33.283 112 HB3 LEU 15 HB1 LEU 15 21.835 -11.212 34.872 113 HG LEU 15 HG LEU 15 22.842 -12.919 32.578 114 HD11 LEU 15 HD11 LEU 15 24.337 -11.745 34.942 115 HD12 LEU 15 HD12 LEU 15 24.559 -11.304 33.248 116 HD13 LEU 15 HD13 LEU 15 25.000 -12.919 33.805 117 HD21 LEU 15 HD21 LEU 15 21.823 -14.434 34.031 118 HD22 LEU 15 HD22 LEU 15 22.104 -13.434 35.454 119 HD23 LEU 15 HD23 LEU 15 23.427 -14.360 34.750 120 H LYS 16 HN LYS 16 19.815 -9.675 32.137 121 HA LYS 16 HA LYS 16 18.518 -8.366 34.294 122 HB2 LYS 16 HB2 LYS 16 18.388 -7.889 31.304 123 HB3 LYS 16 HB1 LYS 16 17.634 -6.838 32.504 124 HG2 LYS 16 HG2 LYS 16 19.826 -6.463 33.568 125 HG3 LYS 16 HG1 LYS 16 20.587 -7.516 32.374 126 HD2 LYS 16 HD2 LYS 16 19.832 -6.005 30.567 127 HD3 LYS 16 HD1 LYS 16 19.102 -4.942 31.770 128 HE2 LYS 16 HE2 LYS 16 22.045 -5.664 31.655 129 HE3 LYS 16 HE1 LYS 16 21.354 -4.149 31.075 130 HZ1 LYS 16 HZ1 LYS 16 21.065 -5.135 33.858 131 HZ2 LYS 16 HZ2 LYS 16 20.637 -3.603 33.257 132 HZ3 LYS 16 HZ3 LYS 16 22.272 -4.051 33.364 133 H ASN 17 HN ASN 17 17.472 -10.710 31.967 134 HA ASN 17 HA ASN 17 15.429 -11.751 31.605 135 HB2 ASN 17 HB2 ASN 17 14.874 -10.750 34.410 136 HB3 ASN 17 HB1 ASN 17 14.006 -12.032 33.570 137 HD21 ASN 17 HD21 ASN 17 15.791 -13.728 32.565 138 HD22 ASN 17 HD22 ASN 17 16.919 -14.260 33.717 139 H GLU 18 HN GLU 18 15.688 -9.062 30.651 140 HA GLU 18 HA GLU 18 13.483 -7.441 31.340 141 HB2 GLU 18 HB2 GLU 18 15.417 -6.552 30.097 142 HB3 GLU 18 HB1 GLU 18 14.969 -7.515 28.690 143 HG2 GLU 18 HG2 GLU 18 12.820 -6.340 28.544 144 HG3 GLU 18 HG1 GLU 18 13.216 -5.412 29.989 145 H ARG 19 HN ARG 19 13.831 -10.058 28.972 146 HA ARG 19 HA ARG 19 12.224 -11.278 27.847 147 HB2 ARG 19 HB2 ARG 19 11.130 -11.019 30.227 148 HB3 ARG 19 HB1 ARG 19 10.052 -9.895 29.411 149 HG2 ARG 19 HG2 ARG 19 8.901 -11.923 29.189 150 HG3 ARG 19 HG1 ARG 19 9.764 -11.821 27.658 151 HD2 ARG 19 HD2 ARG 19 11.476 -13.347 28.450 152 HD3 ARG 19 HD1 ARG 19 10.816 -13.312 30.082 153 HE ARG 19 HE ARG 19 8.792 -14.186 28.339 154 HH11 ARG 19 HH11 ARG 19 8.358 -16.409 28.172 155 HH12 ARG 19 HH12 ARG 19 9.561 -17.559 28.650 156 HH21 ARG 19 HH21 ARG 19 11.883 -15.148 29.561 157 HH22 ARG 19 HH22 ARG 19 11.558 -16.845 29.436 158 H HIS 20 HN HIS 20 12.465 -10.371 25.840 159 HA HIS 20 HA HIS 20 11.090 -7.875 25.180 160 HB2 HIS 20 HB2 HIS 20 12.775 -9.724 23.469 161 HB3 HIS 20 HB1 HIS 20 12.153 -8.149 22.976 162 HD2 HIS 20 HD2 HIS 20 15.238 -9.565 24.718 163 HE1 HIS 20 HE1 HIS 20 15.146 -5.459 25.695 164 HE2 HIS 20 HE2 HIS 20 16.565 -7.564 25.747 165 H GLU 21 HN GLU 21 10.244 -11.069 25.409 166 HA GLU 21 HA GLU 21 8.734 -11.465 23.039 167 HB2 GLU 21 HB2 GLU 21 8.496 -12.746 25.777 168 HB3 GLU 21 HB1 GLU 21 7.504 -13.210 24.397 169 HG2 GLU 21 HG2 GLU 21 10.533 -13.193 24.329 170 HG3 GLU 21 HG1 GLU 21 9.577 -14.618 24.724 171 H GLU 22 HN GLU 22 7.973 -9.963 26.143 172 HA GLU 22 HA GLU 22 5.175 -9.716 25.692 173 HB2 GLU 22 HB2 GLU 22 7.035 -8.135 27.492 174 HB3 GLU 22 HB1 GLU 22 5.288 -7.918 27.450 175 HG2 GLU 22 HG2 GLU 22 6.618 -10.585 27.964 176 HG3 GLU 22 HG1 GLU 22 6.107 -9.491 29.244 177 H ALA 23 HN ALA 23 7.958 -7.765 24.828 178 HA ALA 23 HA ALA 23 6.597 -5.421 24.051 179 HB1 ALA 23 HB1 ALA 23 9.185 -6.541 22.930 180 HB2 ALA 23 HB2 ALA 23 9.037 -5.456 24.314 181 HB3 ALA 23 HB3 ALA 23 8.592 -4.896 22.704 182 H GLU 24 HN GLU 24 6.952 -8.511 22.475 183 HA GLU 24 HA GLU 24 6.377 -7.682 19.830 184 HB2 GLU 24 HB2 GLU 24 5.969 -10.353 21.199 185 HB3 GLU 24 HB1 GLU 24 5.604 -10.075 19.499 186 HG2 GLU 24 HG2 GLU 24 7.894 -9.477 19.032 187 HG3 GLU 24 HG1 GLU 24 8.306 -9.502 20.743 188 H LEU 25 HN LEU 25 4.301 -8.471 22.577 189 HA LEU 25 HA LEU 25 1.865 -8.548 21.152 190 HB2 LEU 25 HB2 LEU 25 2.008 -9.412 23.440 191 HB3 LEU 25 HB1 LEU 25 2.336 -7.799 24.062 192 HG LEU 25 HG LEU 25 0.123 -7.040 23.238 193 HD11 LEU 25 HD11 LEU 25 0.038 -9.868 22.197 194 HD12 LEU 25 HD12 LEU 25 -0.430 -8.371 21.389 195 HD13 LEU 25 HD13 LEU 25 -1.464 -9.053 22.639 196 HD21 LEU 25 HD21 LEU 25 0.500 -8.084 25.531 197 HD22 LEU 25 HD22 LEU 25 -0.165 -9.576 24.867 198 HD23 LEU 25 HD23 LEU 25 -1.164 -8.125 24.946 199 H GLU 26 HN GLU 26 3.693 -5.865 22.576 200 HA GLU 26 HA GLU 26 1.710 -3.883 22.228 201 HB2 GLU 26 HB2 GLU 26 3.695 -3.511 23.647 202 HB3 GLU 26 HB1 GLU 26 4.727 -3.513 22.218 203 HG2 GLU 26 HG2 GLU 26 3.526 -1.571 21.320 204 HG3 GLU 26 HG1 GLU 26 2.439 -1.588 22.709 205 H ARG 27 HN ARG 27 4.179 -5.172 20.038 206 HA ARG 27 HA ARG 27 3.870 -3.249 17.996 207 HB2 ARG 27 HB2 ARG 27 5.773 -4.815 18.026 208 HB3 ARG 27 HB1 ARG 27 4.685 -6.162 17.699 209 HG2 ARG 27 HG2 ARG 27 4.029 -5.141 15.565 210 HG3 ARG 27 HG1 ARG 27 5.062 -3.751 15.900 211 HD2 ARG 27 HD2 ARG 27 6.230 -5.302 14.414 212 HD3 ARG 27 HD1 ARG 27 7.031 -5.262 15.983 213 HE ARG 27 HE ARG 27 6.381 -7.475 16.324 214 HH11 ARG 27 HH11 ARG 27 5.492 -9.442 15.616 215 HH12 ARG 27 HH12 ARG 27 4.479 -9.473 14.212 216 HH21 ARG 27 HH21 ARG 27 4.721 -6.062 13.636 217 HH22 ARG 27 HH22 ARG 27 4.042 -7.560 13.092 218 H LEU 28 HN LEU 28 2.088 -6.216 18.737 219 HA LEU 28 HA LEU 28 0.588 -6.314 16.349 220 HB2 LEU 28 HB2 LEU 28 0.681 -8.241 17.859 221 HB3 LEU 28 HB1 LEU 28 -0.169 -7.342 19.110 222 HG LEU 28 HG LEU 28 -2.133 -7.128 17.615 223 HD11 LEU 28 HD11 LEU 28 -0.279 -8.543 15.706 224 HD12 LEU 28 HD12 LEU 28 -1.346 -7.171 15.407 225 HD13 LEU 28 HD13 LEU 28 -2.020 -8.788 15.573 226 HD21 LEU 28 HD21 LEU 28 -2.831 -9.461 17.752 227 HD22 LEU 28 HD22 LEU 28 -1.869 -9.064 19.175 228 HD23 LEU 28 HD23 LEU 28 -1.152 -9.988 17.856 229 H LYS 29 HN LYS 29 0.071 -4.574 19.396 230 HA LYS 29 HA LYS 29 -2.556 -3.703 18.853 231 HB2 LYS 29 HB2 LYS 29 -1.584 -3.526 21.102 232 HB3 LYS 29 HB1 LYS 29 -0.437 -2.317 20.533 233 HG2 LYS 29 HG2 LYS 29 -2.295 -0.816 19.934 234 HG3 LYS 29 HG1 LYS 29 -3.456 -2.036 20.460 235 HD2 LYS 29 HD2 LYS 29 -2.578 -1.924 22.744 236 HD3 LYS 29 HD1 LYS 29 -1.353 -0.761 22.233 237 HE2 LYS 29 HE2 LYS 29 -3.238 0.413 23.273 238 HE3 LYS 29 HE1 LYS 29 -3.153 0.809 21.556 239 HZ1 LYS 29 HZ1 LYS 29 -5.256 -0.411 22.984 240 HZ2 LYS 29 HZ2 LYS 29 -4.707 -1.476 21.780 241 HZ3 LYS 29 HZ3 LYS 29 -5.222 0.088 21.363 242 H SER 30 HN SER 30 0.601 -2.339 17.944 243 HA SER 30 HA SER 30 -0.375 0.108 16.924 244 HB2 SER 30 HB2 SER 30 1.754 0.247 15.735 245 HB3 SER 30 HB1 SER 30 2.019 -0.325 17.378 246 HG SER 30 HG SER 30 2.987 -1.483 15.422 247 H GLU 31 HN GLU 31 -0.236 -3.125 15.601 248 HA GLU 31 HA GLU 31 -0.605 -2.470 12.877 249 HB2 GLU 31 HB2 GLU 31 0.080 -4.717 13.570 250 HB3 GLU 31 HB1 GLU 31 -1.488 -4.989 14.322 251 HG2 GLU 31 HG2 GLU 31 -1.295 -4.180 11.425 252 HG3 GLU 31 HG1 GLU 31 -1.100 -5.863 11.902 253 H ALA 32 HN ALA 32 -2.905 -2.984 15.513 254 HA ALA 32 HA ALA 32 -5.268 -2.949 13.972 255 HB1 ALA 32 HB1 ALA 32 -6.375 -2.211 16.141 256 HB2 ALA 32 HB2 ALA 32 -4.776 -2.261 16.880 257 HB3 ALA 32 HB3 ALA 32 -5.483 -3.728 16.204 258 H ALA 33 HN ALA 33 -3.320 -0.320 15.347 259 HA ALA 33 HA ALA 33 -5.234 1.687 14.355 260 HB1 ALA 33 HB1 ALA 33 -2.673 2.219 15.862 261 HB2 ALA 33 HB2 ALA 33 -4.190 1.826 16.676 262 HB3 ALA 33 HB3 ALA 33 -4.073 3.276 15.680 263 H ASP 34 HN ASP 34 -3.397 -0.002 12.639 264 HA ASP 34 HA ASP 34 -1.375 1.715 11.592 265 HB2 ASP 34 HB2 ASP 34 -1.340 -0.758 11.298 266 HB3 ASP 34 HB1 ASP 34 -2.728 -0.621 10.215 267 H HIS 35 HN HIS 35 -1.491 3.315 10.194 268 HA HIS 35 HA HIS 35 -2.305 4.841 8.666 269 HB2 HIS 35 HB2 HIS 35 -4.363 2.761 7.899 270 HB3 HIS 35 HB1 HIS 35 -3.769 4.104 6.930 271 HD2 HIS 35 HD2 HIS 35 -0.831 3.804 6.358 272 HE1 HIS 35 HE1 HIS 35 -1.100 -0.407 6.517 273 HE2 HIS 35 HE2 HIS 35 0.349 1.546 5.785 274 H ASP 36 HN ASP 36 -3.814 3.860 11.345 275 HA ASP 36 HA ASP 36 -6.325 5.331 10.974 276 HB2 ASP 36 HB2 ASP 36 -5.197 3.791 13.326 277 HB3 ASP 36 HB1 ASP 36 -6.720 4.673 13.369 278 H LYS 37 HN LYS 37 -3.135 5.939 11.837 279 HA LYS 37 HA LYS 37 -3.436 7.862 13.883 280 HB2 LYS 37 HB2 LYS 37 -1.267 7.514 11.794 281 HB3 LYS 37 HB1 LYS 37 -1.195 8.713 13.085 282 HG2 LYS 37 HG2 LYS 37 -1.415 6.927 14.767 283 HG3 LYS 37 HG1 LYS 37 -1.496 5.722 13.480 284 HD2 LYS 37 HD2 LYS 37 0.753 6.340 12.725 285 HD3 LYS 37 HD1 LYS 37 0.838 7.600 13.957 286 HE2 LYS 37 HE2 LYS 37 2.019 5.595 14.732 287 HE3 LYS 37 HE1 LYS 37 0.583 5.866 15.718 288 HZ1 LYS 37 HZ1 LYS 37 -0.334 3.980 15.012 289 HZ2 LYS 37 HZ2 LYS 37 1.210 3.559 14.442 290 HZ3 LYS 37 HZ3 LYS 37 0.076 4.265 13.393 291 H LYS 38 HN LYS 38 -3.654 8.105 10.362 292 HA LYS 38 HA LYS 38 -3.658 10.922 10.197 293 HB2 LYS 38 HB2 LYS 38 -4.851 8.820 8.366 294 HB3 LYS 38 HB1 LYS 38 -4.870 10.547 8.016 295 HG2 LYS 38 HG2 LYS 38 -2.476 10.670 8.008 296 HG3 LYS 38 HG1 LYS 38 -2.330 9.050 8.682 297 HD2 LYS 38 HD2 LYS 38 -1.851 8.828 6.354 298 HD3 LYS 38 HD1 LYS 38 -3.485 8.204 6.566 299 HE2 LYS 38 HE2 LYS 38 -3.334 9.681 4.592 300 HE3 LYS 38 HE1 LYS 38 -4.417 10.360 5.801 301 HZ1 LYS 38 HZ1 LYS 38 -1.642 11.119 6.086 302 HZ2 LYS 38 HZ2 LYS 38 -3.044 12.073 6.182 303 HZ3 LYS 38 HZ3 LYS 38 -2.380 11.684 4.668 304 H GLU 39 HN GLU 39 -6.231 8.584 10.849 305 HA GLU 39 HA GLU 39 -8.404 10.373 10.590 306 HB2 GLU 39 HB2 GLU 39 -8.731 7.930 10.690 307 HB3 GLU 39 HB1 GLU 39 -8.221 7.919 12.376 308 HG2 GLU 39 HG2 GLU 39 -10.088 9.399 12.970 309 HG3 GLU 39 HG1 GLU 39 -10.583 9.469 11.279 310 H ALA 40 HN ALA 40 -6.240 9.660 13.308 311 HA ALA 40 HA ALA 40 -7.688 11.060 15.281 312 HB1 ALA 40 HB1 ALA 40 -5.427 11.288 16.432 313 HB2 ALA 40 HB2 ALA 40 -4.733 10.430 15.059 314 HB3 ALA 40 HB3 ALA 40 -5.946 9.644 16.069 315 H GLU 41 HN GLU 41 -5.354 12.159 12.855 316 HA GLU 41 HA GLU 41 -5.029 14.778 13.871 317 HB2 GLU 41 HB2 GLU 41 -4.724 13.707 11.050 318 HB3 GLU 41 HB1 GLU 41 -4.292 15.344 11.540 319 HG2 GLU 41 HG2 GLU 41 -3.191 12.865 12.877 320 HG3 GLU 41 HG1 GLU 41 -2.372 13.705 11.561 321 H ARG 42 HN ARG 42 -7.457 13.322 11.757 322 HA ARG 42 HA ARG 42 -8.659 15.717 10.876 323 HB2 ARG 42 HB2 ARG 42 -9.795 12.924 11.190 324 HB3 ARG 42 HB1 ARG 42 -10.692 14.269 10.485 325 HG2 ARG 42 HG2 ARG 42 -8.949 14.569 8.784 326 HG3 ARG 42 HG1 ARG 42 -8.011 13.256 9.499 327 HD2 ARG 42 HD2 ARG 42 -9.849 11.682 9.043 328 HD3 ARG 42 HD1 ARG 42 -10.799 12.988 8.341 329 HE ARG 42 HE ARG 42 -8.326 12.878 7.001 330 HH11 ARG 42 HH11 ARG 42 -8.217 11.860 4.974 331 HH12 ARG 42 HH12 ARG 42 -9.436 10.719 4.517 332 HH21 ARG 42 HH21 ARG 42 -11.209 11.024 7.481 333 HH22 ARG 42 HH22 ARG 42 -11.130 10.245 5.937 334 H LYS 43 HN LYS 43 -9.105 13.773 13.796 335 HA LYS 43 HA LYS 43 -11.435 15.037 14.742 336 HB2 LYS 43 HB2 LYS 43 -10.720 12.909 15.680 337 HB3 LYS 43 HB1 LYS 43 -9.241 13.629 16.301 338 HG2 LYS 43 HG2 LYS 43 -10.831 13.413 18.118 339 HG3 LYS 43 HG1 LYS 43 -10.638 15.122 17.758 340 HD2 LYS 43 HD2 LYS 43 -12.740 15.176 16.563 341 HD3 LYS 43 HD1 LYS 43 -12.885 13.419 16.639 342 HE2 LYS 43 HE2 LYS 43 -13.030 13.547 19.099 343 HE3 LYS 43 HE1 LYS 43 -12.874 15.302 19.018 344 HZ1 LYS 43 HZ1 LYS 43 -15.103 15.213 18.974 345 HZ2 LYS 43 HZ2 LYS 43 -15.150 13.612 18.409 346 HZ3 LYS 43 HZ3 LYS 43 -14.885 14.890 17.323 347 H ALA 44 HN ALA 44 -8.020 15.890 15.105 348 HA ALA 44 HA ALA 44 -8.289 17.825 17.122 349 HB1 ALA 44 HB1 ALA 44 -6.317 17.788 14.817 350 HB2 ALA 44 HB2 ALA 44 -6.091 17.018 16.391 351 HB3 ALA 44 HB3 ALA 44 -6.176 18.775 16.271 352 H LEU 45 HN LEU 45 -9.296 17.893 13.846 353 HA LEU 45 HA LEU 45 -9.206 20.662 13.346 354 HB2 LEU 45 HB2 LEU 45 -9.599 19.068 11.528 355 HB3 LEU 45 HB1 LEU 45 -11.146 18.603 12.228 356 HG LEU 45 HG LEU 45 -11.971 20.922 11.939 357 HD11 LEU 45 HD11 LEU 45 -9.149 21.330 10.954 358 HD12 LEU 45 HD12 LEU 45 -10.107 22.342 12.035 359 HD13 LEU 45 HD13 LEU 45 -10.455 22.327 10.310 360 HD21 LEU 45 HD21 LEU 45 -12.337 19.263 10.160 361 HD22 LEU 45 HD22 LEU 45 -10.779 19.674 9.442 362 HD23 LEU 45 HD23 LEU 45 -12.080 20.864 9.462 363 H GLU 46 HN GLU 46 -11.638 18.650 14.971 364 HA GLU 46 HA GLU 46 -13.620 20.649 15.195 365 HB2 GLU 46 HB2 GLU 46 -13.076 18.192 16.886 366 HB3 GLU 46 HB1 GLU 46 -14.460 19.256 17.130 367 HG2 GLU 46 HG2 GLU 46 -15.247 18.844 14.873 368 HG3 GLU 46 HG1 GLU 46 -13.803 17.903 14.502 369 H ASP 47 HN ASP 47 -10.788 19.883 17.162 370 HA ASP 47 HA ASP 47 -11.438 21.535 19.370 371 HB2 ASP 47 HB2 ASP 47 -8.776 20.558 18.310 372 HB3 ASP 47 HB1 ASP 47 -8.945 21.500 19.789 373 H LYS 48 HN LYS 48 -10.238 22.214 16.193 374 HA LYS 48 HA LYS 48 -9.668 24.192 15.123 375 HB2 LYS 48 HB2 LYS 48 -11.287 25.365 17.402 376 HB3 LYS 48 HB1 LYS 48 -10.788 26.226 15.947 377 HG2 LYS 48 HG2 LYS 48 -12.080 24.765 14.540 378 HG3 LYS 48 HG1 LYS 48 -12.401 23.666 15.878 379 HD2 LYS 48 HD2 LYS 48 -14.391 24.974 15.573 380 HD3 LYS 48 HD1 LYS 48 -13.604 25.584 17.026 381 HE2 LYS 48 HE2 LYS 48 -12.697 27.477 15.818 382 HE3 LYS 48 HE1 LYS 48 -13.248 26.818 14.278 383 HZ1 LYS 48 HZ1 LYS 48 -15.362 27.022 16.183 384 HZ2 LYS 48 HZ2 LYS 48 -15.266 27.646 14.607 385 HZ3 LYS 48 HZ3 LYS 48 -14.627 28.526 15.911 386 H LEU 49 HN LEU 49 -7.669 23.151 16.832 387 HA LEU 49 HA LEU 49 -6.632 25.047 18.646 388 HB2 LEU 49 HB2 LEU 49 -5.235 22.863 17.073 389 HB3 LEU 49 HB1 LEU 49 -4.447 23.835 18.310 390 HG LEU 49 HG LEU 49 -6.952 22.196 18.784 391 HD11 LEU 49 HD11 LEU 49 -4.030 21.567 19.260 392 HD12 LEU 49 HD12 LEU 49 -5.183 20.654 18.286 393 HD13 LEU 49 HD13 LEU 49 -5.345 20.688 20.042 394 HD21 LEU 49 HD21 LEU 49 -5.191 23.935 20.500 395 HD22 LEU 49 HD22 LEU 49 -5.921 22.506 21.229 396 HD23 LEU 49 HD23 LEU 49 -6.945 23.750 20.523 397 H ALA 50 HN ALA 50 -6.252 24.675 15.149 398 HA ALA 50 HA ALA 50 -5.333 26.089 13.561 399 HB1 ALA 50 HB1 ALA 50 -5.565 28.421 13.917 400 HB2 ALA 50 HB2 ALA 50 -5.446 28.249 15.669 401 HB3 ALA 50 HB3 ALA 50 -6.887 27.684 14.822 402 H ASP 51 HN ASP 51 -3.605 24.616 15.448 403 HA ASP 51 HA ASP 51 -1.361 24.476 16.037 404 HB2 ASP 51 HB2 ASP 51 -1.249 24.841 13.536 405 HB3 ASP 51 HB1 ASP 51 -0.969 26.549 13.872 406 H TYR 52 HN TYR 52 -2.914 26.304 17.593 407 HA TYR 52 HA TYR 52 -0.795 27.855 18.747 408 HB2 TYR 52 HB2 TYR 52 -1.348 29.388 16.939 409 HB3 TYR 52 HB1 TYR 52 -3.058 29.312 17.360 410 HD1 TYR 52 HD1 TYR 52 0.295 30.292 18.665 411 HD2 TYR 52 HD2 TYR 52 -3.962 30.706 19.058 412 HE1 TYR 52 HE1 TYR 52 0.625 32.114 20.316 413 HE2 TYR 52 HE2 TYR 52 -3.633 32.527 20.709 414 HH TYR 52 HH TYR 52 -2.049 33.445 22.137 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -2.932 10.529 24.046 2 H2 GLY 1 HT2 GLY 1 -2.642 8.929 24.539 3 H3 GLY 1 HT3 GLY 1 -1.400 9.838 23.821 4 HA2 GLY 1 HA2 GLY 1 -2.025 11.425 25.874 5 HA3 GLY 1 HA1 GLY 1 -2.349 9.829 26.557 6 H SER 2 HN SER 2 -0.495 8.238 25.373 7 HA SER 2 HA SER 2 1.681 7.531 25.619 8 HB2 SER 2 HB2 SER 2 2.240 10.441 25.001 9 HB3 SER 2 HB1 SER 2 3.418 9.135 24.928 10 HG SER 2 HG SER 2 2.710 8.990 22.944 11 H VAL 3 HN VAL 3 0.257 8.363 28.007 12 HA VAL 3 HA VAL 3 1.890 9.953 29.685 13 HB VAL 3 HB VAL 3 -0.222 7.878 30.347 14 HG11 VAL 3 HG11 VAL 3 -0.117 8.979 32.646 15 HG12 VAL 3 HG12 VAL 3 1.434 9.657 32.152 16 HG13 VAL 3 HG13 VAL 3 1.227 7.908 32.254 17 HG21 VAL 3 HG21 VAL 3 -1.133 9.878 29.331 18 HG22 VAL 3 HG22 VAL 3 -0.123 10.911 30.340 19 HG23 VAL 3 HG23 VAL 3 -1.433 9.980 31.065 20 H GLU 4 HN GLU 4 1.828 6.459 29.059 21 HA GLU 4 HA GLU 4 3.648 5.739 31.092 22 HB2 GLU 4 HB2 GLU 4 2.274 4.054 29.940 23 HB3 GLU 4 HB1 GLU 4 3.149 4.338 28.439 24 HG2 GLU 4 HG2 GLU 4 4.043 2.363 29.556 25 HG3 GLU 4 HG1 GLU 4 5.257 3.636 29.568 26 H LYS 5 HN LYS 5 4.161 6.843 27.755 27 HA LYS 5 HA LYS 5 6.959 6.347 27.715 28 HB2 LYS 5 HB2 LYS 5 5.248 8.262 26.106 29 HB3 LYS 5 HB1 LYS 5 6.968 8.005 25.821 30 HG2 LYS 5 HG2 LYS 5 6.560 5.601 25.459 31 HG3 LYS 5 HG1 LYS 5 4.836 5.850 25.744 32 HD2 LYS 5 HD2 LYS 5 4.711 7.363 23.817 33 HD3 LYS 5 HD1 LYS 5 6.446 7.179 23.545 34 HE2 LYS 5 HE2 LYS 5 5.206 5.700 22.034 35 HE3 LYS 5 HE1 LYS 5 6.112 4.741 23.203 36 HZ1 LYS 5 HZ1 LYS 5 3.354 5.525 23.828 37 HZ2 LYS 5 HZ2 LYS 5 4.229 4.159 24.335 38 HZ3 LYS 5 HZ3 LYS 5 3.617 4.240 22.752 39 H LEU 6 HN LEU 6 4.999 8.937 28.993 40 HA LEU 6 HA LEU 6 7.002 10.915 29.177 41 HB2 LEU 6 HB2 LEU 6 4.640 11.490 29.459 42 HB3 LEU 6 HB1 LEU 6 4.551 10.535 30.935 43 HG LEU 6 HG LEU 6 6.244 12.010 31.985 44 HD11 LEU 6 HD11 LEU 6 7.585 12.872 30.267 45 HD12 LEU 6 HD12 LEU 6 6.571 14.258 30.653 46 HD13 LEU 6 HD13 LEU 6 6.205 13.263 29.243 47 HD21 LEU 6 HD21 LEU 6 4.781 13.936 32.263 48 HD22 LEU 6 HD22 LEU 6 3.789 12.486 32.136 49 HD23 LEU 6 HD23 LEU 6 3.951 13.568 30.752 50 H THR 7 HN THR 7 6.114 8.258 31.361 51 HA THR 7 HA THR 7 8.039 9.096 33.366 52 HB THR 7 HB THR 7 7.383 7.008 34.513 53 HG1 THR 7 HG1 THR 7 7.003 5.865 32.510 54 HG21 THR 7 HG21 THR 7 5.246 7.747 35.147 55 HG22 THR 7 HG22 THR 7 4.855 8.312 33.525 56 HG23 THR 7 HG23 THR 7 5.997 9.215 34.521 57 H ALA 8 HN ALA 8 8.134 7.387 30.454 58 HA ALA 8 HA ALA 8 9.688 5.951 29.482 59 HB1 ALA 8 HB1 ALA 8 10.934 8.148 29.876 60 HB2 ALA 8 HB2 ALA 8 11.928 6.708 29.661 61 HB3 ALA 8 HB3 ALA 8 11.663 7.363 31.277 62 H ASP 9 HN ASP 9 8.419 5.067 32.025 63 HA ASP 9 HA ASP 9 10.317 3.737 33.653 64 HB2 ASP 9 HB2 ASP 9 7.374 3.213 33.170 65 HB3 ASP 9 HB1 ASP 9 8.340 2.300 34.325 66 H ALA 10 HN ALA 10 8.891 2.954 30.578 67 HA ALA 10 HA ALA 10 9.321 0.166 30.570 68 HB1 ALA 10 HB1 ALA 10 9.254 0.332 28.101 69 HB2 ALA 10 HB2 ALA 10 9.327 2.088 28.221 70 HB3 ALA 10 HB3 ALA 10 7.931 1.216 28.858 71 H GLU 11 HN GLU 11 11.504 2.856 30.117 72 HA GLU 11 HA GLU 11 13.593 1.481 28.809 73 HB2 GLU 11 HB2 GLU 11 13.645 3.917 30.612 74 HB3 GLU 11 HB1 GLU 11 15.068 3.288 29.785 75 HG2 GLU 11 HG2 GLU 11 14.025 3.595 27.623 76 HG3 GLU 11 HG1 GLU 11 12.498 4.045 28.377 77 H LEU 12 HN LEU 12 12.732 1.756 32.229 78 HA LEU 12 HA LEU 12 15.113 0.608 33.253 79 HB2 LEU 12 HB2 LEU 12 12.320 0.759 34.420 80 HB3 LEU 12 HB1 LEU 12 13.691 0.074 35.284 81 HG LEU 12 HG LEU 12 13.663 2.883 34.134 82 HD11 LEU 12 HD11 LEU 12 13.256 3.638 36.438 83 HD12 LEU 12 HD12 LEU 12 13.155 1.963 36.980 84 HD13 LEU 12 HD13 LEU 12 11.935 2.609 35.881 85 HD21 LEU 12 HD21 LEU 12 15.603 1.267 35.779 86 HD22 LEU 12 HD22 LEU 12 15.507 3.004 36.055 87 HD23 LEU 12 HD23 LEU 12 15.922 2.391 34.459 88 H GLN 13 HN GLN 13 12.116 -0.796 32.032 89 HA GLN 13 HA GLN 13 12.578 -3.440 32.920 90 HB2 GLN 13 HB2 GLN 13 10.373 -2.676 32.078 91 HB3 GLN 13 HB1 GLN 13 11.036 -2.583 30.447 92 HG2 GLN 13 HG2 GLN 13 11.579 -4.990 30.532 93 HG3 GLN 13 HG1 GLN 13 10.916 -5.079 32.163 94 HE21 GLN 13 HE21 GLN 13 8.839 -5.931 32.134 95 HE22 GLN 13 HE22 GLN 13 7.690 -5.660 30.915 96 H ARG 14 HN ARG 14 13.680 -1.679 30.057 97 HA ARG 14 HA ARG 14 14.692 -3.897 28.640 98 HB2 ARG 14 HB2 ARG 14 15.496 -0.976 28.585 99 HB3 ARG 14 HB1 ARG 14 16.177 -2.196 27.508 100 HG2 ARG 14 HG2 ARG 14 13.922 -2.744 26.686 101 HG3 ARG 14 HG1 ARG 14 13.228 -1.538 27.770 102 HD2 ARG 14 HD2 ARG 14 14.515 0.230 26.636 103 HD3 ARG 14 HD1 ARG 14 15.226 -0.970 25.560 104 HE ARG 14 HE ARG 14 12.416 -1.162 25.393 105 HH11 ARG 14 HH11 ARG 14 11.364 -0.219 23.613 106 HH12 ARG 14 HH12 ARG 14 12.158 1.023 22.703 107 HH21 ARG 14 HH21 ARG 14 15.032 0.976 24.644 108 HH22 ARG 14 HH22 ARG 14 14.235 1.699 23.286 109 H LEU 15 HN LEU 15 16.055 -1.945 31.245 110 HA LEU 15 HA LEU 15 18.715 -2.840 31.035 111 HB2 LEU 15 HB2 LEU 15 18.132 -0.932 32.462 112 HB3 LEU 15 HB1 LEU 15 17.213 -1.981 33.536 113 HG LEU 15 HG LEU 15 19.278 -3.246 34.061 114 HD11 LEU 15 HD11 LEU 15 21.453 -1.952 33.326 115 HD12 LEU 15 HD12 LEU 15 20.430 -1.345 32.025 116 HD13 LEU 15 HD13 LEU 15 20.698 -3.080 32.204 117 HD21 LEU 15 HD21 LEU 15 20.333 -1.497 35.406 118 HD22 LEU 15 HD22 LEU 15 18.584 -1.266 35.411 119 HD23 LEU 15 HD23 LEU 15 19.606 -0.247 34.396 120 H LYS 16 HN LYS 16 15.880 -4.262 32.606 121 HA LYS 16 HA LYS 16 17.229 -6.320 33.987 122 HB2 LYS 16 HB2 LYS 16 14.848 -5.722 34.409 123 HB3 LYS 16 HB1 LYS 16 14.411 -6.424 32.852 124 HG2 LYS 16 HG2 LYS 16 15.269 -8.605 33.575 125 HG3 LYS 16 HG1 LYS 16 15.764 -7.912 35.118 126 HD2 LYS 16 HD2 LYS 16 13.424 -7.327 35.622 127 HD3 LYS 16 HD1 LYS 16 12.917 -8.004 34.075 128 HE2 LYS 16 HE2 LYS 16 12.548 -9.636 35.869 129 HE3 LYS 16 HE1 LYS 16 13.800 -10.214 34.774 130 HZ1 LYS 16 HZ1 LYS 16 15.411 -9.943 36.316 131 HZ2 LYS 16 HZ2 LYS 16 14.112 -10.172 37.387 132 HZ3 LYS 16 HZ3 LYS 16 14.667 -8.604 37.042 133 H ASN 17 HN ASN 17 16.126 -6.008 30.658 134 HA ASN 17 HA ASN 17 16.581 -7.236 28.759 135 HB2 ASN 17 HB2 ASN 17 18.913 -6.873 29.757 136 HB3 ASN 17 HB1 ASN 17 18.808 -8.544 30.309 137 HD21 ASN 17 HD21 ASN 17 20.402 -9.388 28.836 138 HD22 ASN 17 HD22 ASN 17 20.156 -9.426 27.157 139 H GLU 18 HN GLU 18 14.588 -8.384 30.488 140 HA GLU 18 HA GLU 18 14.880 -11.198 29.673 141 HB2 GLU 18 HB2 GLU 18 14.113 -10.291 32.461 142 HB3 GLU 18 HB1 GLU 18 13.978 -11.948 31.886 143 HG2 GLU 18 HG2 GLU 18 16.415 -11.950 31.393 144 HG3 GLU 18 HG1 GLU 18 16.529 -10.324 32.059 145 H ARG 19 HN ARG 19 12.726 -12.304 29.407 146 HA ARG 19 HA ARG 19 10.530 -12.340 28.736 147 HB2 ARG 19 HB2 ARG 19 10.331 -10.143 30.808 148 HB3 ARG 19 HB1 ARG 19 8.952 -10.925 30.041 149 HG2 ARG 19 HG2 ARG 19 9.732 -13.116 30.880 150 HG3 ARG 19 HG1 ARG 19 11.094 -12.322 31.670 151 HD2 ARG 19 HD2 ARG 19 9.509 -10.968 33.008 152 HD3 ARG 19 HD1 ARG 19 8.162 -11.806 32.243 153 HE ARG 19 HE ARG 19 9.912 -12.858 34.308 154 HH11 ARG 19 HH11 ARG 19 9.334 -14.906 35.103 155 HH12 ARG 19 HH12 ARG 19 8.175 -15.867 34.247 156 HH21 ARG 19 HH21 ARG 19 7.687 -13.519 31.742 157 HH22 ARG 19 HH22 ARG 19 7.242 -15.081 32.344 158 H HIS 20 HN HIS 20 11.910 -11.236 26.821 159 HA HIS 20 HA HIS 20 10.899 -8.567 26.172 160 HB2 HIS 20 HB2 HIS 20 12.722 -10.444 24.643 161 HB3 HIS 20 HB1 HIS 20 12.278 -8.819 24.123 162 HD2 HIS 20 HD2 HIS 20 14.918 -10.481 26.335 163 HE1 HIS 20 HE1 HIS 20 14.910 -6.389 27.376 164 HE2 HIS 20 HE2 HIS 20 16.165 -8.585 27.628 165 H GLU 21 HN GLU 21 9.687 -11.626 25.988 166 HA GLU 21 HA GLU 21 8.655 -11.756 23.359 167 HB2 GLU 21 HB2 GLU 21 8.693 -13.730 24.833 168 HB3 GLU 21 HB1 GLU 21 7.479 -12.990 25.875 169 HG2 GLU 21 HG2 GLU 21 5.884 -12.934 24.011 170 HG3 GLU 21 HG1 GLU 21 7.102 -13.611 22.932 171 H GLU 22 HN GLU 22 7.407 -10.242 26.308 172 HA GLU 22 HA GLU 22 4.833 -9.626 25.341 173 HB2 GLU 22 HB2 GLU 22 4.651 -8.074 27.155 174 HB3 GLU 22 HB1 GLU 22 5.584 -9.444 27.747 175 HG2 GLU 22 HG2 GLU 22 7.687 -8.131 27.232 176 HG3 GLU 22 HG1 GLU 22 6.662 -6.750 26.854 177 H ALA 23 HN ALA 23 7.913 -8.314 24.571 178 HA ALA 23 HA ALA 23 7.171 -5.696 23.839 179 HB1 ALA 23 HB1 ALA 23 9.207 -5.634 22.480 180 HB2 ALA 23 HB2 ALA 23 9.383 -7.380 22.616 181 HB3 ALA 23 HB3 ALA 23 9.535 -6.363 24.048 182 H GLU 24 HN GLU 24 6.982 -8.753 22.047 183 HA GLU 24 HA GLU 24 6.342 -7.586 19.543 184 HB2 GLU 24 HB2 GLU 24 5.776 -10.348 20.655 185 HB3 GLU 24 HB1 GLU 24 5.332 -9.854 19.022 186 HG2 GLU 24 HG2 GLU 24 7.633 -9.403 18.455 187 HG3 GLU 24 HG1 GLU 24 8.147 -9.647 20.122 188 H LEU 25 HN LEU 25 4.374 -8.516 22.327 189 HA LEU 25 HA LEU 25 1.854 -8.176 21.077 190 HB2 LEU 25 HB2 LEU 25 2.693 -8.093 23.987 191 HB3 LEU 25 HB1 LEU 25 1.027 -7.842 23.472 192 HG LEU 25 HG LEU 25 1.020 -10.027 22.352 193 HD11 LEU 25 HD11 LEU 25 3.054 -11.543 22.963 194 HD12 LEU 25 HD12 LEU 25 3.910 -10.023 23.220 195 HD13 LEU 25 HD13 LEU 25 3.232 -10.398 21.637 196 HD21 LEU 25 HD21 LEU 25 2.042 -10.142 25.209 197 HD22 LEU 25 HD22 LEU 25 1.171 -11.435 24.385 198 HD23 LEU 25 HD23 LEU 25 0.364 -9.903 24.724 199 H GLU 26 HN GLU 26 4.064 -5.928 22.669 200 HA GLU 26 HA GLU 26 2.281 -3.749 22.852 201 HB2 GLU 26 HB2 GLU 26 4.425 -3.777 24.067 202 HB3 GLU 26 HB1 GLU 26 5.302 -3.654 22.542 203 HG2 GLU 26 HG2 GLU 26 4.236 -1.493 22.079 204 HG3 GLU 26 HG1 GLU 26 3.293 -1.627 23.563 205 H ARG 27 HN ARG 27 4.361 -4.879 20.216 206 HA ARG 27 HA ARG 27 3.695 -2.604 18.532 207 HB2 ARG 27 HB2 ARG 27 5.130 -5.191 17.864 208 HB3 ARG 27 HB1 ARG 27 4.993 -3.799 16.802 209 HG2 ARG 27 HG2 ARG 27 6.292 -3.654 19.539 210 HG3 ARG 27 HG1 ARG 27 7.192 -3.998 18.067 211 HD2 ARG 27 HD2 ARG 27 6.344 -1.835 17.115 212 HD3 ARG 27 HD1 ARG 27 5.612 -1.479 18.674 213 HE ARG 27 HE ARG 27 8.451 -1.417 18.044 214 HH11 ARG 27 HH11 ARG 27 9.768 -0.580 19.693 215 HH12 ARG 27 HH12 ARG 27 9.120 -0.352 21.282 216 HH21 ARG 27 HH21 ARG 27 5.965 -1.526 20.452 217 HH22 ARG 27 HH22 ARG 27 6.968 -0.888 21.712 218 H LEU 28 HN LEU 28 2.347 -5.642 19.295 219 HA LEU 28 HA LEU 28 1.094 -6.260 16.846 220 HB2 LEU 28 HB2 LEU 28 1.278 -7.933 18.614 221 HB3 LEU 28 HB1 LEU 28 0.215 -6.996 19.659 222 HG LEU 28 HG LEU 28 -1.619 -7.252 18.013 223 HD11 LEU 28 HD11 LEU 28 -0.629 -7.486 15.899 224 HD12 LEU 28 HD12 LEU 28 -1.122 -9.141 16.248 225 HD13 LEU 28 HD13 LEU 28 0.560 -8.657 16.471 226 HD21 LEU 28 HD21 LEU 28 -0.262 -9.830 18.862 227 HD22 LEU 28 HD22 LEU 28 -1.946 -9.700 18.350 228 HD23 LEU 28 HD23 LEU 28 -1.404 -8.887 19.820 229 H LYS 29 HN LYS 29 -0.003 -4.222 19.563 230 HA LYS 29 HA LYS 29 -2.621 -3.832 18.522 231 HB2 LYS 29 HB2 LYS 29 -2.927 -2.189 20.196 232 HB3 LYS 29 HB1 LYS 29 -1.873 -3.396 20.913 233 HG2 LYS 29 HG2 LYS 29 0.100 -1.944 20.303 234 HG3 LYS 29 HG1 LYS 29 -1.032 -0.720 19.742 235 HD2 LYS 29 HD2 LYS 29 -0.599 -0.021 21.932 236 HD3 LYS 29 HD1 LYS 29 -2.091 -0.937 22.120 237 HE2 LYS 29 HE2 LYS 29 -0.839 -2.894 22.883 238 HE3 LYS 29 HE1 LYS 29 0.686 -2.070 22.570 239 HZ1 LYS 29 HZ1 LYS 29 -1.308 -1.547 24.668 240 HZ2 LYS 29 HZ2 LYS 29 -0.270 -0.303 24.152 241 HZ3 LYS 29 HZ3 LYS 29 0.371 -1.732 24.809 242 H SER 30 HN SER 30 0.441 -2.444 17.720 243 HA SER 30 HA SER 30 -0.432 0.027 16.683 244 HB2 SER 30 HB2 SER 30 1.958 -1.659 15.890 245 HB3 SER 30 HB1 SER 30 1.665 -0.017 15.329 246 HG SER 30 HG SER 30 1.406 0.344 17.761 247 H GLU 31 HN GLU 31 -0.313 -3.206 15.228 248 HA GLU 31 HA GLU 31 -0.879 -2.387 12.581 249 HB2 GLU 31 HB2 GLU 31 -0.058 -4.652 13.100 250 HB3 GLU 31 HB1 GLU 31 -1.588 -5.032 13.888 251 HG2 GLU 31 HG2 GLU 31 -2.791 -4.652 11.787 252 HG3 GLU 31 HG1 GLU 31 -1.287 -4.196 10.991 253 H ALA 32 HN ALA 32 -2.959 -3.119 15.350 254 HA ALA 32 HA ALA 32 -5.429 -3.108 13.962 255 HB1 ALA 32 HB1 ALA 32 -6.466 -2.781 16.160 256 HB2 ALA 32 HB2 ALA 32 -4.899 -2.389 16.862 257 HB3 ALA 32 HB3 ALA 32 -5.209 -4.015 16.246 258 H ALA 33 HN ALA 33 -3.309 -0.564 14.945 259 HA ALA 33 HA ALA 33 -5.149 1.557 15.173 260 HB1 ALA 33 HB1 ALA 33 -2.283 1.718 14.181 261 HB2 ALA 33 HB2 ALA 33 -2.788 1.781 15.871 262 HB3 ALA 33 HB3 ALA 33 -3.265 3.063 14.760 263 H ASP 34 HN ASP 34 -3.759 -0.018 12.359 264 HA ASP 34 HA ASP 34 -4.375 1.952 10.443 265 HB2 ASP 34 HB2 ASP 34 -4.091 -1.053 10.184 266 HB3 ASP 34 HB1 ASP 34 -4.384 0.009 8.810 267 H HIS 35 HN HIS 35 -6.342 -0.618 11.881 268 HA HIS 35 HA HIS 35 -8.519 -0.435 10.099 269 HB2 HIS 35 HB2 HIS 35 -8.354 -2.321 11.627 270 HB3 HIS 35 HB1 HIS 35 -8.527 -1.259 13.023 271 HD2 HIS 35 HD2 HIS 35 -11.162 -0.826 13.751 272 HE1 HIS 35 HE1 HIS 35 -12.984 -2.194 10.198 273 HE2 HIS 35 HE2 HIS 35 -13.422 -1.339 12.549 274 H ASP 36 HN ASP 36 -7.741 1.408 13.039 275 HA ASP 36 HA ASP 36 -10.200 2.778 13.226 276 HB2 ASP 36 HB2 ASP 36 -7.421 3.535 14.168 277 HB3 ASP 36 HB1 ASP 36 -8.848 4.519 14.483 278 H LYS 37 HN LYS 37 -7.278 3.428 11.331 279 HA LYS 37 HA LYS 37 -8.000 6.026 10.483 280 HB2 LYS 37 HB2 LYS 37 -6.192 3.952 9.209 281 HB3 LYS 37 HB1 LYS 37 -6.407 5.583 8.577 282 HG2 LYS 37 HG2 LYS 37 -5.666 6.527 10.724 283 HG3 LYS 37 HG1 LYS 37 -5.464 4.901 11.376 284 HD2 LYS 37 HD2 LYS 37 -3.780 4.411 9.641 285 HD3 LYS 37 HD1 LYS 37 -3.983 6.035 8.983 286 HE2 LYS 37 HE2 LYS 37 -3.246 7.002 11.128 287 HE3 LYS 37 HE1 LYS 37 -3.051 5.383 11.795 288 HZ1 LYS 37 HZ1 LYS 37 -1.656 6.257 9.337 289 HZ2 LYS 37 HZ2 LYS 37 -1.312 4.914 10.319 290 HZ3 LYS 37 HZ3 LYS 37 -0.990 6.485 10.880 291 H LYS 38 HN LYS 38 -8.806 2.810 9.245 292 HA LYS 38 HA LYS 38 -9.952 3.674 6.800 293 HB2 LYS 38 HB2 LYS 38 -10.480 1.191 8.461 294 HB3 LYS 38 HB1 LYS 38 -11.108 1.450 6.837 295 HG2 LYS 38 HG2 LYS 38 -8.148 1.700 7.362 296 HG3 LYS 38 HG1 LYS 38 -8.874 0.110 7.140 297 HD2 LYS 38 HD2 LYS 38 -9.824 0.897 4.960 298 HD3 LYS 38 HD1 LYS 38 -8.953 2.416 5.167 299 HE2 LYS 38 HE2 LYS 38 -7.647 0.903 3.757 300 HE3 LYS 38 HE1 LYS 38 -6.820 1.153 5.295 301 HZ1 LYS 38 HZ1 LYS 38 -8.636 -1.010 5.480 302 HZ2 LYS 38 HZ2 LYS 38 -6.958 -0.995 5.742 303 HZ3 LYS 38 HZ3 LYS 38 -7.574 -1.255 4.181 304 H GLU 39 HN GLU 39 -11.091 3.666 10.072 305 HA GLU 39 HA GLU 39 -13.877 3.718 9.603 306 HB2 GLU 39 HB2 GLU 39 -12.882 3.367 11.855 307 HB3 GLU 39 HB1 GLU 39 -12.381 5.059 11.877 308 HG2 GLU 39 HG2 GLU 39 -14.716 5.778 11.675 309 HG3 GLU 39 HG1 GLU 39 -15.240 4.098 11.580 310 H ALA 40 HN ALA 40 -11.413 6.156 9.307 311 HA ALA 40 HA ALA 40 -12.984 8.480 9.432 312 HB1 ALA 40 HB1 ALA 40 -10.528 8.565 9.412 313 HB2 ALA 40 HB2 ALA 40 -11.202 9.563 8.126 314 HB3 ALA 40 HB3 ALA 40 -10.516 7.986 7.743 315 H GLU 41 HN GLU 41 -12.908 6.002 7.056 316 HA GLU 41 HA GLU 41 -13.572 7.423 4.729 317 HB2 GLU 41 HB2 GLU 41 -14.425 5.351 3.853 318 HB3 GLU 41 HB1 GLU 41 -13.023 4.962 4.848 319 HG2 GLU 41 HG2 GLU 41 -14.650 4.543 6.764 320 HG3 GLU 41 HG1 GLU 41 -15.947 4.664 5.581 321 H ARG 42 HN ARG 42 -15.366 6.870 7.594 322 HA ARG 42 HA ARG 42 -18.000 6.993 6.594 323 HB2 ARG 42 HB2 ARG 42 -17.532 6.313 8.910 324 HB3 ARG 42 HB1 ARG 42 -16.988 7.943 9.298 325 HG2 ARG 42 HG2 ARG 42 -19.205 8.841 8.788 326 HG3 ARG 42 HG1 ARG 42 -19.760 7.241 8.293 327 HD2 ARG 42 HD2 ARG 42 -20.484 7.703 10.586 328 HD3 ARG 42 HD1 ARG 42 -19.307 6.393 10.575 329 HE ARG 42 HE ARG 42 -17.810 7.779 11.707 330 HH11 ARG 42 HH11 ARG 42 -17.293 9.682 12.834 331 HH12 ARG 42 HH12 ARG 42 -18.303 11.081 12.669 332 HH21 ARG 42 HH21 ARG 42 -20.516 9.553 10.481 333 HH22 ARG 42 HH22 ARG 42 -20.127 11.008 11.336 334 H LYS 43 HN LYS 43 -15.678 9.539 7.418 335 HA LYS 43 HA LYS 43 -17.489 11.717 7.197 336 HB2 LYS 43 HB2 LYS 43 -14.474 11.579 6.923 337 HB3 LYS 43 HB1 LYS 43 -15.403 13.078 6.901 338 HG2 LYS 43 HG2 LYS 43 -16.226 12.708 9.128 339 HG3 LYS 43 HG1 LYS 43 -15.595 11.063 9.149 340 HD2 LYS 43 HD2 LYS 43 -14.072 12.410 10.432 341 HD3 LYS 43 HD1 LYS 43 -13.275 12.054 8.902 342 HE2 LYS 43 HE2 LYS 43 -13.808 14.252 8.039 343 HE3 LYS 43 HE1 LYS 43 -14.825 14.605 9.436 344 HZ1 LYS 43 HZ1 LYS 43 -13.009 14.812 10.808 345 HZ2 LYS 43 HZ2 LYS 43 -12.407 15.467 9.361 346 HZ3 LYS 43 HZ3 LYS 43 -11.998 13.881 9.812 347 H ALA 44 HN ALA 44 -15.864 9.766 4.852 348 HA ALA 44 HA ALA 44 -15.753 11.576 2.691 349 HB1 ALA 44 HB1 ALA 44 -14.613 9.371 2.666 350 HB2 ALA 44 HB2 ALA 44 -15.616 9.621 1.238 351 HB3 ALA 44 HB3 ALA 44 -16.185 8.578 2.537 352 H LEU 45 HN LEU 45 -18.418 9.924 4.148 353 HA LEU 45 HA LEU 45 -20.213 10.023 1.930 354 HB2 LEU 45 HB2 LEU 45 -20.782 9.905 4.905 355 HB3 LEU 45 HB1 LEU 45 -21.973 9.644 3.633 356 HG LEU 45 HG LEU 45 -19.452 7.996 4.000 357 HD11 LEU 45 HD11 LEU 45 -21.238 7.783 5.801 358 HD12 LEU 45 HD12 LEU 45 -20.844 6.292 4.947 359 HD13 LEU 45 HD13 LEU 45 -22.315 7.177 4.542 360 HD21 LEU 45 HD21 LEU 45 -21.709 7.985 2.002 361 HD22 LEU 45 HD22 LEU 45 -20.958 6.453 2.446 362 HD23 LEU 45 HD23 LEU 45 -19.984 7.735 1.738 363 H GLU 46 HN GLU 46 -19.065 12.348 4.179 364 HA GLU 46 HA GLU 46 -21.235 14.142 4.221 365 HB2 GLU 46 HB2 GLU 46 -19.340 14.337 5.786 366 HB3 GLU 46 HB1 GLU 46 -18.283 14.815 4.458 367 HG2 GLU 46 HG2 GLU 46 -19.676 16.789 4.033 368 HG3 GLU 46 HG1 GLU 46 -20.789 16.295 5.307 369 H ASP 47 HN ASP 47 -18.610 13.732 1.869 370 HA ASP 47 HA ASP 47 -19.120 16.114 0.415 371 HB2 ASP 47 HB2 ASP 47 -17.781 15.096 -1.352 372 HB3 ASP 47 HB1 ASP 47 -17.022 14.818 0.215 373 H LYS 48 HN LYS 48 -20.891 13.231 0.704 374 HA LYS 48 HA LYS 48 -21.993 12.998 -1.880 375 HB2 LYS 48 HB2 LYS 48 -22.254 11.219 -0.196 376 HB3 LYS 48 HB1 LYS 48 -23.307 12.260 0.759 377 HG2 LYS 48 HG2 LYS 48 -24.906 12.381 -1.105 378 HG3 LYS 48 HG1 LYS 48 -23.844 11.374 -2.089 379 HD2 LYS 48 HD2 LYS 48 -24.055 9.548 -0.433 380 HD3 LYS 48 HD1 LYS 48 -25.138 10.554 0.529 381 HE2 LYS 48 HE2 LYS 48 -25.646 9.718 -2.341 382 HE3 LYS 48 HE1 LYS 48 -26.382 8.965 -0.928 383 HZ1 LYS 48 HZ1 LYS 48 -26.734 11.733 -1.908 384 HZ2 LYS 48 HZ2 LYS 48 -27.180 11.265 -0.338 385 HZ3 LYS 48 HZ3 LYS 48 -27.920 10.543 -1.685 386 H LEU 49 HN LEU 49 -22.909 15.024 0.880 387 HA LEU 49 HA LEU 49 -25.355 15.943 -0.182 388 HB2 LEU 49 HB2 LEU 49 -24.806 16.275 2.181 389 HB3 LEU 49 HB1 LEU 49 -23.483 17.354 1.753 390 HG LEU 49 HG LEU 49 -25.101 18.911 0.703 391 HD11 LEU 49 HD11 LEU 49 -26.926 17.637 -0.033 392 HD12 LEU 49 HD12 LEU 49 -27.585 18.396 1.411 393 HD13 LEU 49 HD13 LEU 49 -27.028 16.725 1.473 394 HD21 LEU 49 HD21 LEU 49 -25.979 18.167 3.504 395 HD22 LEU 49 HD22 LEU 49 -26.008 19.766 2.761 396 HD23 LEU 49 HD23 LEU 49 -24.467 19.005 3.158 397 H ALA 50 HN ALA 50 -22.023 17.078 -0.610 398 HA ALA 50 HA ALA 50 -21.105 18.521 -2.171 399 HB1 ALA 50 HB1 ALA 50 -22.588 17.027 -3.663 400 HB2 ALA 50 HB2 ALA 50 -22.075 18.584 -4.313 401 HB3 ALA 50 HB3 ALA 50 -23.710 18.387 -3.684 402 H ASP 51 HN ASP 51 -22.567 19.578 0.115 403 HA ASP 51 HA ASP 51 -24.236 21.734 -0.604 404 HB2 ASP 51 HB2 ASP 51 -24.095 20.884 1.712 405 HB3 ASP 51 HB1 ASP 51 -22.461 21.528 1.853 406 H TYR 52 HN TYR 52 -20.708 21.487 -0.329 407 HA TYR 52 HA TYR 52 -20.412 23.847 -1.976 408 HB2 TYR 52 HB2 TYR 52 -20.634 24.925 0.191 409 HB3 TYR 52 HB1 TYR 52 -19.430 23.841 0.890 410 HD1 TYR 52 HD1 TYR 52 -19.928 26.465 -1.719 411 HD2 TYR 52 HD2 TYR 52 -17.111 24.316 0.713 412 HE1 TYR 52 HE1 TYR 52 -18.123 27.998 -2.454 413 HE2 TYR 52 HE2 TYR 52 -15.308 25.849 -0.022 414 HH TYR 52 HH TYR 52 -15.109 28.157 -0.916 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -3.685 -4.281 30.129 2 H2 GLY 1 HT2 GLY 1 -4.506 -5.650 30.709 3 H3 GLY 1 HT3 GLY 1 -3.137 -5.066 31.530 4 HA2 GLY 1 HA2 GLY 1 -5.889 -4.169 31.633 5 HA3 GLY 1 HA1 GLY 1 -4.625 -4.074 32.859 6 H SER 2 HN SER 2 -4.947 -2.849 29.520 7 HA SER 2 HA SER 2 -3.520 -0.460 30.011 8 HB2 SER 2 HB2 SER 2 -4.347 0.256 27.830 9 HB3 SER 2 HB1 SER 2 -3.857 -1.434 27.759 10 HG SER 2 HG SER 2 -5.846 -1.952 27.336 11 H VAL 3 HN VAL 3 -6.813 -1.364 30.572 12 HA VAL 3 HA VAL 3 -7.373 1.353 31.595 13 HB VAL 3 HB VAL 3 -9.684 1.218 30.704 14 HG11 VAL 3 HG11 VAL 3 -7.662 0.925 28.473 15 HG12 VAL 3 HG12 VAL 3 -7.738 2.352 29.508 16 HG13 VAL 3 HG13 VAL 3 -9.116 1.922 28.494 17 HG21 VAL 3 HG21 VAL 3 -8.716 -1.033 28.928 18 HG22 VAL 3 HG22 VAL 3 -10.361 -0.449 29.159 19 HG23 VAL 3 HG23 VAL 3 -9.565 -1.355 30.442 20 H GLU 4 HN GLU 4 -7.224 -1.911 32.149 21 HA GLU 4 HA GLU 4 -9.482 -2.365 33.783 22 HB2 GLU 4 HB2 GLU 4 -6.755 -3.687 33.759 23 HB3 GLU 4 HB1 GLU 4 -8.083 -4.213 34.792 24 HG2 GLU 4 HG2 GLU 4 -9.487 -4.652 32.872 25 HG3 GLU 4 HG1 GLU 4 -8.289 -3.956 31.782 26 H LYS 5 HN LYS 5 -6.305 -0.968 34.481 27 HA LYS 5 HA LYS 5 -5.483 0.092 36.374 28 HB2 LYS 5 HB2 LYS 5 -8.443 0.584 36.818 29 HB3 LYS 5 HB1 LYS 5 -7.122 1.425 37.630 30 HG2 LYS 5 HG2 LYS 5 -6.335 2.357 35.548 31 HG3 LYS 5 HG1 LYS 5 -7.448 1.357 34.620 32 HD2 LYS 5 HD2 LYS 5 -8.425 3.545 34.722 33 HD3 LYS 5 HD1 LYS 5 -9.346 2.534 35.833 34 HE2 LYS 5 HE2 LYS 5 -8.170 3.447 37.743 35 HE3 LYS 5 HE1 LYS 5 -7.043 4.310 36.696 36 HZ1 LYS 5 HZ1 LYS 5 -9.903 4.843 37.183 37 HZ2 LYS 5 HZ2 LYS 5 -9.151 5.395 35.763 38 HZ3 LYS 5 HZ3 LYS 5 -8.588 5.911 37.281 39 H LEU 6 HN LEU 6 -5.914 -2.748 36.570 40 HA LEU 6 HA LEU 6 -7.231 -3.463 38.962 41 HB2 LEU 6 HB2 LEU 6 -6.670 -5.154 37.285 42 HB3 LEU 6 HB1 LEU 6 -4.949 -4.896 37.556 43 HG LEU 6 HG LEU 6 -5.215 -5.633 39.908 44 HD11 LEU 6 HD11 LEU 6 -7.502 -6.875 40.313 45 HD12 LEU 6 HD12 LEU 6 -8.107 -5.780 39.070 46 HD13 LEU 6 HD13 LEU 6 -7.411 -5.132 40.555 47 HD21 LEU 6 HD21 LEU 6 -6.393 -7.576 37.898 48 HD22 LEU 6 HD22 LEU 6 -5.592 -8.003 39.410 49 HD23 LEU 6 HD23 LEU 6 -4.671 -7.256 38.104 50 H THR 7 HN THR 7 -3.893 -2.430 38.332 51 HA THR 7 HA THR 7 -3.597 -1.774 41.153 52 HB THR 7 HB THR 7 -2.863 -4.129 41.065 53 HG1 THR 7 HG1 THR 7 -1.444 -2.017 41.859 54 HG21 THR 7 HG21 THR 7 -0.885 -4.750 39.755 55 HG22 THR 7 HG22 THR 7 -0.797 -3.120 39.086 56 HG23 THR 7 HG23 THR 7 -2.160 -4.166 38.690 57 H ALA 8 HN ALA 8 -1.935 -0.294 41.563 58 HA ALA 8 HA ALA 8 -1.204 1.324 39.261 59 HB1 ALA 8 HB1 ALA 8 -1.937 2.321 41.452 60 HB2 ALA 8 HB2 ALA 8 -0.401 2.939 40.850 61 HB3 ALA 8 HB3 ALA 8 -0.421 1.753 42.153 62 H ASP 9 HN ASP 9 0.200 -1.232 41.008 63 HA ASP 9 HA ASP 9 2.962 -0.444 40.453 64 HB2 ASP 9 HB2 ASP 9 3.572 -2.476 41.631 65 HB3 ASP 9 HB1 ASP 9 2.372 -1.595 42.574 66 H ALA 10 HN ALA 10 0.610 -1.476 38.540 67 HA ALA 10 HA ALA 10 1.610 -3.786 37.267 68 HB1 ALA 10 HB1 ALA 10 -0.633 -3.213 36.747 69 HB2 ALA 10 HB2 ALA 10 0.272 -2.955 35.257 70 HB3 ALA 10 HB3 ALA 10 -0.196 -1.579 36.249 71 H GLU 11 HN GLU 11 2.354 -0.355 36.803 72 HA GLU 11 HA GLU 11 3.823 -0.638 34.410 73 HB2 GLU 11 HB2 GLU 11 3.990 1.441 36.609 74 HB3 GLU 11 HB1 GLU 11 4.929 1.524 35.119 75 HG2 GLU 11 HG2 GLU 11 2.911 1.556 33.779 76 HG3 GLU 11 HG1 GLU 11 1.912 1.283 35.203 77 H LEU 12 HN LEU 12 4.732 -1.047 37.802 78 HA LEU 12 HA LEU 12 7.528 -1.191 37.380 79 HB2 LEU 12 HB2 LEU 12 5.792 -2.327 39.588 80 HB3 LEU 12 HB1 LEU 12 7.545 -2.458 39.577 81 HG LEU 12 HG LEU 12 6.055 0.179 39.380 82 HD11 LEU 12 HD11 LEU 12 6.810 0.432 41.787 83 HD12 LEU 12 HD12 LEU 12 7.198 -1.288 41.770 84 HD13 LEU 12 HD13 LEU 12 5.534 -0.757 41.528 85 HD21 LEU 12 HD21 LEU 12 8.203 0.644 38.592 86 HD22 LEU 12 HD22 LEU 12 8.953 -0.630 39.552 87 HD23 LEU 12 HD23 LEU 12 8.451 0.874 40.319 88 H GLN 13 HN GLN 13 4.957 -3.601 37.163 89 HA GLN 13 HA GLN 13 6.644 -5.868 36.994 90 HB2 GLN 13 HB2 GLN 13 3.822 -5.414 35.977 91 HB3 GLN 13 HB1 GLN 13 4.660 -6.956 35.844 92 HG2 GLN 13 HG2 GLN 13 4.174 -5.486 38.452 93 HG3 GLN 13 HG1 GLN 13 3.202 -6.827 37.858 94 HE21 GLN 13 HE21 GLN 13 4.759 -8.818 37.166 95 HE22 GLN 13 HE22 GLN 13 5.936 -9.205 38.326 96 H ARG 14 HN ARG 14 5.485 -3.580 34.557 97 HA ARG 14 HA ARG 14 6.315 -5.040 32.289 98 HB2 ARG 14 HB2 ARG 14 4.814 -3.073 32.137 99 HB3 ARG 14 HB1 ARG 14 6.160 -2.017 32.563 100 HG2 ARG 14 HG2 ARG 14 7.401 -2.808 30.573 101 HG3 ARG 14 HG1 ARG 14 6.038 -3.843 30.144 102 HD2 ARG 14 HD2 ARG 14 5.908 -0.829 30.428 103 HD3 ARG 14 HD1 ARG 14 6.014 -1.692 28.897 104 HE ARG 14 HE ARG 14 3.670 -1.459 30.597 105 HH11 ARG 14 HH11 ARG 14 1.767 -2.347 29.732 106 HH12 ARG 14 HH12 ARG 14 1.854 -3.389 28.350 107 HH21 ARG 14 HH21 ARG 14 5.304 -3.182 28.078 108 HH22 ARG 14 HH22 ARG 14 3.856 -3.861 27.415 109 H LEU 15 HN LEU 15 8.065 -2.830 34.435 110 HA LEU 15 HA LEU 15 10.400 -2.623 32.859 111 HB2 LEU 15 HB2 LEU 15 9.983 -1.078 34.722 112 HB3 LEU 15 HB1 LEU 15 10.132 -2.395 35.880 113 HG LEU 15 HG LEU 15 12.475 -2.762 35.141 114 HD11 LEU 15 HD11 LEU 15 12.630 -2.036 32.917 115 HD12 LEU 15 HD12 LEU 15 13.413 -0.714 33.777 116 HD13 LEU 15 HD13 LEU 15 11.744 -0.545 33.234 117 HD21 LEU 15 HD21 LEU 15 13.361 -0.562 36.032 118 HD22 LEU 15 HD22 LEU 15 12.139 -1.329 37.048 119 HD23 LEU 15 HD23 LEU 15 11.701 0.033 36.016 120 H LYS 16 HN LYS 16 9.361 -5.000 35.264 121 HA LYS 16 HA LYS 16 11.804 -6.388 35.492 122 HB2 LYS 16 HB2 LYS 16 9.957 -6.743 37.081 123 HB3 LYS 16 HB1 LYS 16 8.992 -7.497 35.812 124 HG2 LYS 16 HG2 LYS 16 10.683 -9.264 35.553 125 HG3 LYS 16 HG1 LYS 16 11.685 -8.496 36.785 126 HD2 LYS 16 HD2 LYS 16 9.920 -8.828 38.457 127 HD3 LYS 16 HD1 LYS 16 8.871 -9.537 37.227 128 HE2 LYS 16 HE2 LYS 16 9.959 -11.314 38.522 129 HE3 LYS 16 HE1 LYS 16 10.548 -11.332 36.861 130 HZ1 LYS 16 HZ1 LYS 16 12.132 -11.299 39.011 131 HZ2 LYS 16 HZ2 LYS 16 12.031 -9.637 38.676 132 HZ3 LYS 16 HZ3 LYS 16 12.593 -10.712 37.488 133 H ASN 17 HN ASN 17 9.177 -6.643 33.132 134 HA ASN 17 HA ASN 17 10.289 -8.998 31.870 135 HB2 ASN 17 HB2 ASN 17 7.843 -8.414 31.851 136 HB3 ASN 17 HB1 ASN 17 8.227 -7.091 30.747 137 HD21 ASN 17 HD21 ASN 17 6.712 -9.757 30.351 138 HD22 ASN 17 HD22 ASN 17 7.454 -10.438 28.984 139 H GLU 18 HN GLU 18 12.523 -7.765 31.726 140 HA GLU 18 HA GLU 18 12.871 -5.667 29.869 141 HB2 GLU 18 HB2 GLU 18 14.821 -7.801 30.778 142 HB3 GLU 18 HB1 GLU 18 15.255 -6.335 29.899 143 HG2 GLU 18 HG2 GLU 18 13.793 -6.319 32.550 144 HG3 GLU 18 HG1 GLU 18 15.543 -6.169 32.401 145 H ARG 19 HN ARG 19 12.288 -9.029 29.438 146 HA ARG 19 HA ARG 19 13.598 -9.531 27.013 147 HB2 ARG 19 HB2 ARG 19 10.977 -10.636 28.052 148 HB3 ARG 19 HB1 ARG 19 11.865 -11.285 26.673 149 HG2 ARG 19 HG2 ARG 19 13.767 -11.826 28.059 150 HG3 ARG 19 HG1 ARG 19 13.060 -10.986 29.439 151 HD2 ARG 19 HD2 ARG 19 11.814 -13.392 28.085 152 HD3 ARG 19 HD1 ARG 19 12.781 -13.470 29.556 153 HE ARG 19 HE ARG 19 10.751 -11.596 29.998 154 HH11 ARG 19 HH11 ARG 19 8.867 -12.212 31.106 155 HH12 ARG 19 HH12 ARG 19 8.413 -13.883 31.172 156 HH21 ARG 19 HH21 ARG 19 11.132 -14.968 29.314 157 HH22 ARG 19 HH22 ARG 19 9.696 -15.443 30.158 158 H HIS 20 HN HIS 20 13.091 -9.231 24.901 159 HA HIS 20 HA HIS 20 11.388 -7.035 24.228 160 HB2 HIS 20 HB2 HIS 20 12.088 -7.455 21.939 161 HB3 HIS 20 HB1 HIS 20 13.485 -7.574 23.009 162 HD2 HIS 20 HD2 HIS 20 11.536 -9.785 20.507 163 HE1 HIS 20 HE1 HIS 20 14.256 -12.316 22.512 164 HE2 HIS 20 HE2 HIS 20 12.630 -12.156 20.569 165 H GLU 21 HN GLU 21 10.748 -10.275 24.809 166 HA GLU 21 HA GLU 21 8.853 -10.897 22.825 167 HB2 GLU 21 HB2 GLU 21 9.760 -12.608 24.354 168 HB3 GLU 21 HB1 GLU 21 8.887 -11.878 25.701 169 HG2 GLU 21 HG2 GLU 21 6.751 -12.304 24.575 170 HG3 GLU 21 HG1 GLU 21 7.603 -12.976 23.185 171 H GLU 22 HN GLU 22 8.519 -9.100 25.865 172 HA GLU 22 HA GLU 22 5.699 -8.973 25.863 173 HB2 GLU 22 HB2 GLU 22 7.011 -8.383 27.857 174 HB3 GLU 22 HB1 GLU 22 7.673 -6.976 27.032 175 HG2 GLU 22 HG2 GLU 22 5.816 -6.303 28.462 176 HG3 GLU 22 HG1 GLU 22 5.366 -6.076 26.776 177 H ALA 23 HN ALA 23 8.159 -6.965 24.287 178 HA ALA 23 HA ALA 23 6.425 -4.913 23.424 179 HB1 ALA 23 HB1 ALA 23 9.062 -5.894 22.299 180 HB2 ALA 23 HB2 ALA 23 8.751 -4.448 23.259 181 HB3 ALA 23 HB3 ALA 23 8.167 -4.546 21.600 182 H GLU 24 HN GLU 24 7.206 -8.067 22.019 183 HA GLU 24 HA GLU 24 5.935 -7.622 19.526 184 HB2 GLU 24 HB2 GLU 24 6.541 -10.195 21.008 185 HB3 GLU 24 HB1 GLU 24 5.819 -10.146 19.402 186 HG2 GLU 24 HG2 GLU 24 8.432 -8.773 20.086 187 HG3 GLU 24 HG1 GLU 24 8.334 -10.400 19.419 188 H LEU 25 HN LEU 25 4.727 -8.718 22.659 189 HA LEU 25 HA LEU 25 2.185 -9.564 21.770 190 HB2 LEU 25 HB2 LEU 25 3.002 -10.168 23.998 191 HB3 LEU 25 HB1 LEU 25 2.972 -8.481 24.500 192 HG LEU 25 HG LEU 25 0.521 -8.423 24.131 193 HD11 LEU 25 HD11 LEU 25 0.021 -9.997 22.471 194 HD12 LEU 25 HD12 LEU 25 -0.513 -10.839 23.923 195 HD13 LEU 25 HD13 LEU 25 1.044 -11.240 23.192 196 HD21 LEU 25 HD21 LEU 25 -0.073 -9.943 26.018 197 HD22 LEU 25 HD22 LEU 25 1.372 -8.985 26.353 198 HD23 LEU 25 HD23 LEU 25 1.524 -10.682 25.892 199 H GLU 26 HN GLU 26 3.421 -6.381 22.713 200 HA GLU 26 HA GLU 26 0.788 -5.153 22.351 201 HB2 GLU 26 HB2 GLU 26 3.484 -4.015 23.119 202 HB3 GLU 26 HB1 GLU 26 2.083 -3.002 22.783 203 HG2 GLU 26 HG2 GLU 26 0.823 -4.001 24.576 204 HG3 GLU 26 HG1 GLU 26 2.050 -5.236 24.838 205 H ARG 27 HN ARG 27 3.527 -5.923 20.482 206 HA ARG 27 HA ARG 27 3.493 -3.823 18.598 207 HB2 ARG 27 HB2 ARG 27 5.355 -5.449 18.746 208 HB3 ARG 27 HB1 ARG 27 4.304 -6.711 18.105 209 HG2 ARG 27 HG2 ARG 27 3.969 -5.383 16.047 210 HG3 ARG 27 HG1 ARG 27 5.031 -4.129 16.688 211 HD2 ARG 27 HD2 ARG 27 5.842 -7.009 16.211 212 HD3 ARG 27 HD1 ARG 27 6.216 -5.667 15.133 213 HE ARG 27 HE ARG 27 7.481 -6.246 17.682 214 HH11 ARG 27 HH11 ARG 27 9.239 -4.905 18.207 215 HH12 ARG 27 HH12 ARG 27 9.508 -3.448 17.309 216 HH21 ARG 27 HH21 ARG 27 6.775 -3.912 15.226 217 HH22 ARG 27 HH22 ARG 27 8.113 -2.886 15.622 218 H LEU 28 HN LEU 28 1.593 -6.809 18.815 219 HA LEU 28 HA LEU 28 0.431 -6.635 16.248 220 HB2 LEU 28 HB2 LEU 28 0.295 -8.706 17.550 221 HB3 LEU 28 HB1 LEU 28 -0.712 -7.915 18.758 222 HG LEU 28 HG LEU 28 -2.446 -7.503 17.036 223 HD11 LEU 28 HD11 LEU 28 -0.359 -8.772 15.268 224 HD12 LEU 28 HD12 LEU 28 -1.356 -7.351 14.966 225 HD13 LEU 28 HD13 LEU 28 -2.068 -8.957 14.872 226 HD21 LEU 28 HD21 LEU 28 -2.397 -9.598 18.420 227 HD22 LEU 28 HD22 LEU 28 -1.559 -10.401 17.092 228 HD23 LEU 28 HD23 LEU 28 -3.202 -9.802 16.863 229 H LYS 29 HN LYS 29 -0.488 -5.197 19.357 230 HA LYS 29 HA LYS 29 -2.998 -4.199 18.516 231 HB2 LYS 29 HB2 LYS 29 -1.133 -3.300 20.727 232 HB3 LYS 29 HB1 LYS 29 -2.690 -2.542 20.409 233 HG2 LYS 29 HG2 LYS 29 -3.875 -4.583 20.829 234 HG3 LYS 29 HG1 LYS 29 -2.390 -5.525 20.833 235 HD2 LYS 29 HD2 LYS 29 -2.996 -5.255 23.126 236 HD3 LYS 29 HD1 LYS 29 -1.663 -4.137 22.849 237 HE2 LYS 29 HE2 LYS 29 -3.483 -3.072 24.137 238 HE3 LYS 29 HE1 LYS 29 -3.269 -2.278 22.584 239 HZ1 LYS 29 HZ1 LYS 29 -5.198 -4.485 22.905 240 HZ2 LYS 29 HZ2 LYS 29 -5.170 -3.260 21.729 241 HZ3 LYS 29 HZ3 LYS 29 -5.624 -2.899 23.326 242 H SER 30 HN SER 30 0.280 -2.884 18.252 243 HA SER 30 HA SER 30 -0.452 -0.272 17.458 244 HB2 SER 30 HB2 SER 30 1.830 -0.081 16.624 245 HB3 SER 30 HB1 SER 30 1.834 -0.905 18.180 246 HG SER 30 HG SER 30 2.381 -1.860 15.625 247 H GLU 31 HN GLU 31 -0.523 -3.295 15.805 248 HA GLU 31 HA GLU 31 -0.272 -2.405 13.141 249 HB2 GLU 31 HB2 GLU 31 -0.188 -4.797 13.738 250 HB3 GLU 31 HB1 GLU 31 -1.903 -4.761 14.142 251 HG2 GLU 31 HG2 GLU 31 -2.456 -4.125 11.840 252 HG3 GLU 31 HG1 GLU 31 -0.743 -4.087 11.425 253 H ALA 32 HN ALA 32 -3.056 -2.538 15.329 254 HA ALA 32 HA ALA 32 -5.057 -1.950 13.429 255 HB1 ALA 32 HB1 ALA 32 -4.954 -1.443 16.415 256 HB2 ALA 32 HB2 ALA 32 -5.780 -2.743 15.557 257 HB3 ALA 32 HB3 ALA 32 -6.363 -1.087 15.418 258 H ALA 33 HN ALA 33 -2.872 0.159 15.263 259 HA ALA 33 HA ALA 33 -4.162 2.565 14.168 260 HB1 ALA 33 HB1 ALA 33 -1.780 2.438 16.024 261 HB2 ALA 33 HB2 ALA 33 -3.451 2.408 16.592 262 HB3 ALA 33 HB3 ALA 33 -2.842 3.811 15.714 263 H ASP 34 HN ASP 34 -2.447 0.592 12.566 264 HA ASP 34 HA ASP 34 -0.141 2.204 11.841 265 HB2 ASP 34 HB2 ASP 34 0.384 0.435 10.277 266 HB3 ASP 34 HB1 ASP 34 -0.073 -0.299 11.811 267 H HIS 35 HN HIS 35 -3.259 2.622 11.357 268 HA HIS 35 HA HIS 35 -3.117 3.406 8.514 269 HB2 HIS 35 HB2 HIS 35 -5.453 3.212 10.442 270 HB3 HIS 35 HB1 HIS 35 -5.576 3.805 8.788 271 HD2 HIS 35 HD2 HIS 35 -5.617 1.803 6.824 272 HE1 HIS 35 HE1 HIS 35 -5.006 -1.472 9.418 273 HE2 HIS 35 HE2 HIS 35 -5.552 -0.800 7.030 274 H ASP 36 HN ASP 36 -1.786 4.677 10.868 275 HA ASP 36 HA ASP 36 -1.247 6.802 11.596 276 HB2 ASP 36 HB2 ASP 36 -2.939 7.695 9.245 277 HB3 ASP 36 HB1 ASP 36 -1.823 8.696 10.163 278 H LYS 37 HN LYS 37 -3.506 5.402 12.710 279 HA LYS 37 HA LYS 37 -5.760 7.091 12.994 280 HB2 LYS 37 HB2 LYS 37 -4.715 4.870 14.771 281 HB3 LYS 37 HB1 LYS 37 -6.224 5.720 15.075 282 HG2 LYS 37 HG2 LYS 37 -5.699 4.493 12.374 283 HG3 LYS 37 HG1 LYS 37 -6.276 3.492 13.704 284 HD2 LYS 37 HD2 LYS 37 -8.196 5.089 13.995 285 HD3 LYS 37 HD1 LYS 37 -7.659 5.934 12.544 286 HE2 LYS 37 HE2 LYS 37 -7.900 3.866 11.234 287 HE3 LYS 37 HE1 LYS 37 -8.427 3.007 12.681 288 HZ1 LYS 37 HZ1 LYS 37 -10.433 4.031 12.677 289 HZ2 LYS 37 HZ2 LYS 37 -10.126 4.104 11.007 290 HZ3 LYS 37 HZ3 LYS 37 -9.843 5.463 11.985 291 H LYS 38 HN LYS 38 -2.745 6.883 14.858 292 HA LYS 38 HA LYS 38 -3.548 8.584 16.957 293 HB2 LYS 38 HB2 LYS 38 -0.793 7.955 15.855 294 HB3 LYS 38 HB1 LYS 38 -1.061 8.957 17.277 295 HG2 LYS 38 HG2 LYS 38 -2.332 6.228 17.122 296 HG3 LYS 38 HG1 LYS 38 -0.635 6.376 17.569 297 HD2 LYS 38 HD2 LYS 38 -1.286 7.959 19.387 298 HD3 LYS 38 HD1 LYS 38 -2.980 7.688 18.984 299 HE2 LYS 38 HE2 LYS 38 -2.337 6.235 20.841 300 HE3 LYS 38 HE1 LYS 38 -2.674 5.261 19.410 301 HZ1 LYS 38 HZ1 LYS 38 0.017 6.112 20.337 302 HZ2 LYS 38 HZ2 LYS 38 -0.302 5.193 18.945 303 HZ3 LYS 38 HZ3 LYS 38 -0.635 4.553 20.483 304 H GLU 39 HN GLU 39 -2.192 9.269 13.759 305 HA GLU 39 HA GLU 39 -1.656 12.007 14.203 306 HB2 GLU 39 HB2 GLU 39 -2.265 10.494 11.647 307 HB3 GLU 39 HB1 GLU 39 -1.825 12.202 11.689 308 HG2 GLU 39 HG2 GLU 39 0.292 11.676 12.775 309 HG3 GLU 39 HG1 GLU 39 -0.151 9.972 12.877 310 H ALA 40 HN ALA 40 -4.603 10.292 13.279 311 HA ALA 40 HA ALA 40 -6.124 12.554 12.531 312 HB1 ALA 40 HB1 ALA 40 -6.888 10.279 12.019 313 HB2 ALA 40 HB2 ALA 40 -8.108 11.148 12.946 314 HB3 ALA 40 HB3 ALA 40 -7.095 9.944 13.739 315 H GLU 41 HN GLU 41 -5.170 11.310 15.634 316 HA GLU 41 HA GLU 41 -7.168 12.521 17.220 317 HB2 GLU 41 HB2 GLU 41 -5.654 10.798 18.126 318 HB3 GLU 41 HB1 GLU 41 -4.295 11.914 18.004 319 HG2 GLU 41 HG2 GLU 41 -5.399 13.460 19.556 320 HG3 GLU 41 HG1 GLU 41 -6.800 12.396 19.641 321 H ARG 42 HN ARG 42 -4.115 13.767 15.917 322 HA ARG 42 HA ARG 42 -4.092 16.183 17.376 323 HB2 ARG 42 HB2 ARG 42 -2.869 15.474 14.696 324 HB3 ARG 42 HB1 ARG 42 -2.626 17.024 15.499 325 HG2 ARG 42 HG2 ARG 42 -1.712 15.876 17.472 326 HG3 ARG 42 HG1 ARG 42 -1.974 14.315 16.694 327 HD2 ARG 42 HD2 ARG 42 -0.444 14.958 14.873 328 HD3 ARG 42 HD1 ARG 42 -0.188 16.524 15.637 329 HE ARG 42 HE ARG 42 0.427 14.505 17.506 330 HH11 ARG 42 HH11 ARG 42 2.605 13.979 17.870 331 HH12 ARG 42 HH12 ARG 42 3.799 14.381 16.683 332 HH21 ARG 42 HH21 ARG 42 1.524 15.831 14.504 333 HH22 ARG 42 HH22 ARG 42 3.187 15.429 14.776 334 H LYS 43 HN LYS 43 -5.693 15.247 14.365 335 HA LYS 43 HA LYS 43 -6.534 17.886 13.655 336 HB2 LYS 43 HB2 LYS 43 -7.701 15.202 12.865 337 HB3 LYS 43 HB1 LYS 43 -8.038 16.740 12.079 338 HG2 LYS 43 HG2 LYS 43 -5.256 15.557 12.287 339 HG3 LYS 43 HG1 LYS 43 -6.316 15.298 10.905 340 HD2 LYS 43 HD2 LYS 43 -6.451 17.818 10.657 341 HD3 LYS 43 HD1 LYS 43 -5.185 17.939 11.877 342 HE2 LYS 43 HE2 LYS 43 -3.696 16.553 10.495 343 HE3 LYS 43 HE1 LYS 43 -4.951 16.432 9.263 344 HZ1 LYS 43 HZ1 LYS 43 -3.074 18.475 9.630 345 HZ2 LYS 43 HZ2 LYS 43 -4.616 19.130 9.906 346 HZ3 LYS 43 HZ3 LYS 43 -4.272 18.351 8.436 347 H ALA 44 HN ALA 44 -7.632 15.565 15.932 348 HA ALA 44 HA ALA 44 -10.374 16.231 16.051 349 HB1 ALA 44 HB1 ALA 44 -10.392 15.223 18.261 350 HB2 ALA 44 HB2 ALA 44 -8.636 15.325 18.366 351 HB3 ALA 44 HB3 ALA 44 -9.392 14.243 17.193 352 H LEU 45 HN LEU 45 -7.549 17.904 17.153 353 HA LEU 45 HA LEU 45 -8.726 19.504 19.155 354 HB2 LEU 45 HB2 LEU 45 -6.291 19.363 18.927 355 HB3 LEU 45 HB1 LEU 45 -6.362 20.161 17.361 356 HG LEU 45 HG LEU 45 -7.322 22.177 18.440 357 HD11 LEU 45 HD11 LEU 45 -7.011 22.144 21.058 358 HD12 LEU 45 HD12 LEU 45 -7.175 20.398 20.870 359 HD13 LEU 45 HD13 LEU 45 -8.477 21.469 20.352 360 HD21 LEU 45 HD21 LEU 45 -4.758 21.137 19.684 361 HD22 LEU 45 HD22 LEU 45 -5.264 22.825 19.679 362 HD23 LEU 45 HD23 LEU 45 -4.896 22.011 18.158 363 H GLU 46 HN GLU 46 -8.540 19.892 15.636 364 HA GLU 46 HA GLU 46 -9.535 22.532 15.539 365 HB2 GLU 46 HB2 GLU 46 -8.465 21.473 13.586 366 HB3 GLU 46 HB1 GLU 46 -9.824 20.361 13.431 367 HG2 GLU 46 HG2 GLU 46 -11.352 22.244 13.067 368 HG3 GLU 46 HG1 GLU 46 -10.025 23.382 13.292 369 H ASP 47 HN ASP 47 -11.175 19.392 15.679 370 HA ASP 47 HA ASP 47 -13.779 20.341 15.150 371 HB2 ASP 47 HB2 ASP 47 -13.209 17.934 15.120 372 HB3 ASP 47 HB1 ASP 47 -13.009 17.959 16.871 373 H LYS 48 HN LYS 48 -11.898 20.185 18.148 374 HA LYS 48 HA LYS 48 -14.013 20.827 19.908 375 HB2 LYS 48 HB2 LYS 48 -11.021 21.248 20.160 376 HB3 LYS 48 HB1 LYS 48 -12.169 21.609 21.448 377 HG2 LYS 48 HG2 LYS 48 -12.967 19.279 21.405 378 HG3 LYS 48 HG1 LYS 48 -11.827 18.910 20.110 379 HD2 LYS 48 HD2 LYS 48 -9.942 19.468 21.573 380 HD3 LYS 48 HD1 LYS 48 -11.055 19.911 22.867 381 HE2 LYS 48 HE2 LYS 48 -10.224 17.636 23.232 382 HE3 LYS 48 HE1 LYS 48 -11.948 17.590 22.863 383 HZ1 LYS 48 HZ1 LYS 48 -10.001 16.190 21.577 384 HZ2 LYS 48 HZ2 LYS 48 -10.317 17.478 20.515 385 HZ3 LYS 48 HZ3 LYS 48 -11.577 16.450 21.007 386 H LEU 49 HN LEU 49 -11.867 22.842 17.948 387 HA LEU 49 HA LEU 49 -12.709 25.318 19.135 388 HB2 LEU 49 HB2 LEU 49 -11.359 24.781 16.475 389 HB3 LEU 49 HB1 LEU 49 -11.531 26.360 17.237 390 HG LEU 49 HG LEU 49 -10.068 23.999 18.457 391 HD11 LEU 49 HD11 LEU 49 -8.029 25.278 17.953 392 HD12 LEU 49 HD12 LEU 49 -8.997 26.544 17.198 393 HD13 LEU 49 HD13 LEU 49 -8.923 24.938 16.472 394 HD21 LEU 49 HD21 LEU 49 -9.179 26.047 19.892 395 HD22 LEU 49 HD22 LEU 49 -10.716 25.290 20.300 396 HD23 LEU 49 HD23 LEU 49 -10.694 26.799 19.386 397 H ALA 50 HN ALA 50 -14.100 23.159 16.908 398 HA ALA 50 HA ALA 50 -15.514 24.939 15.227 399 HB1 ALA 50 HB1 ALA 50 -16.458 22.197 16.108 400 HB2 ALA 50 HB2 ALA 50 -15.293 22.473 14.811 401 HB3 ALA 50 HB3 ALA 50 -16.941 23.078 14.661 402 H ASP 51 HN ASP 51 -16.008 23.990 18.527 403 HA ASP 51 HA ASP 51 -18.762 24.542 18.755 404 HB2 ASP 51 HB2 ASP 51 -17.502 23.374 20.527 405 HB3 ASP 51 HB1 ASP 51 -16.646 24.866 20.909 406 H TYR 52 HN TYR 52 -15.933 26.680 18.902 407 HA TYR 52 HA TYR 52 -17.519 28.987 19.633 408 HB2 TYR 52 HB2 TYR 52 -14.661 28.774 18.645 409 HB3 TYR 52 HB1 TYR 52 -15.422 30.244 19.253 410 HD1 TYR 52 HD1 TYR 52 -14.058 26.956 20.145 411 HD2 TYR 52 HD2 TYR 52 -16.055 30.462 21.619 412 HE1 TYR 52 HE1 TYR 52 -13.533 26.277 22.472 413 HE2 TYR 52 HE2 TYR 52 -15.530 29.784 23.945 414 HH TYR 52 HH TYR 52 -14.966 27.139 25.004 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 28.029 -19.323 24.942 2 H2 GLY 1 HT2 GLY 1 29.576 -18.633 25.083 3 H3 GLY 1 HT3 GLY 1 29.193 -20.053 25.935 4 HA2 GLY 1 HA2 GLY 1 28.745 -20.367 23.137 5 HA3 GLY 1 HA1 GLY 1 30.412 -19.910 23.490 6 H SER 2 HN SER 2 31.766 -21.496 24.062 7 HA SER 2 HA SER 2 30.944 -24.190 24.197 8 HB2 SER 2 HB2 SER 2 33.553 -22.885 25.006 9 HB3 SER 2 HB1 SER 2 33.289 -24.626 24.982 10 HG SER 2 HG SER 2 33.111 -24.578 22.829 11 H VAL 3 HN VAL 3 31.595 -21.796 26.726 12 HA VAL 3 HA VAL 3 31.651 -23.517 28.936 13 HB VAL 3 HB VAL 3 32.172 -21.027 28.927 14 HG11 VAL 3 HG11 VAL 3 29.891 -20.482 27.835 15 HG12 VAL 3 HG12 VAL 3 30.417 -19.447 29.160 16 HG13 VAL 3 HG13 VAL 3 29.210 -20.701 29.446 17 HG21 VAL 3 HG21 VAL 3 31.278 -20.734 31.261 18 HG22 VAL 3 HG22 VAL 3 32.107 -22.268 31.006 19 HG23 VAL 3 HG23 VAL 3 30.345 -22.212 31.035 20 H GLU 4 HN GLU 4 28.954 -22.319 27.052 21 HA GLU 4 HA GLU 4 26.890 -22.896 28.889 22 HB2 GLU 4 HB2 GLU 4 26.860 -22.747 25.863 23 HB3 GLU 4 HB1 GLU 4 25.415 -23.000 26.838 24 HG2 GLU 4 HG2 GLU 4 25.739 -20.903 27.990 25 HG3 GLU 4 HG1 GLU 4 27.311 -20.673 27.227 26 H LYS 5 HN LYS 5 28.589 -24.925 26.544 27 HA LYS 5 HA LYS 5 26.845 -27.138 26.647 28 HB2 LYS 5 HB2 LYS 5 28.585 -26.941 24.919 29 HB3 LYS 5 HB1 LYS 5 29.842 -27.150 26.135 30 HG2 LYS 5 HG2 LYS 5 28.954 -29.384 26.680 31 HG3 LYS 5 HG1 LYS 5 27.673 -29.169 25.485 32 HD2 LYS 5 HD2 LYS 5 29.368 -28.958 23.704 33 HD3 LYS 5 HD1 LYS 5 30.650 -29.167 24.898 34 HE2 LYS 5 HE2 LYS 5 29.774 -31.402 25.458 35 HE3 LYS 5 HE1 LYS 5 28.482 -31.196 24.274 36 HZ1 LYS 5 HZ1 LYS 5 30.535 -32.456 23.534 37 HZ2 LYS 5 HZ2 LYS 5 31.334 -30.957 23.530 38 HZ3 LYS 5 HZ3 LYS 5 29.995 -31.213 22.515 39 H LEU 6 HN LEU 6 29.540 -26.177 28.739 40 HA LEU 6 HA LEU 6 29.682 -28.577 30.223 41 HB2 LEU 6 HB2 LEU 6 30.490 -25.742 30.910 42 HB3 LEU 6 HB1 LEU 6 30.702 -27.079 32.032 43 HG LEU 6 HG LEU 6 32.738 -26.594 30.658 44 HD11 LEU 6 HD11 LEU 6 31.905 -28.991 31.491 45 HD12 LEU 6 HD12 LEU 6 33.343 -28.816 30.491 46 HD13 LEU 6 HD13 LEU 6 31.820 -29.305 29.757 47 HD21 LEU 6 HD21 LEU 6 32.781 -26.921 28.315 48 HD22 LEU 6 HD22 LEU 6 31.305 -26.001 28.601 49 HD23 LEU 6 HD23 LEU 6 31.219 -27.740 28.313 50 H THR 7 HN THR 7 27.630 -25.712 30.561 51 HA THR 7 HA THR 7 26.314 -26.951 32.908 52 HB THR 7 HB THR 7 26.217 -24.112 31.859 53 HG1 THR 7 HG1 THR 7 27.136 -24.279 34.304 54 HG21 THR 7 HG21 THR 7 24.125 -24.599 32.901 55 HG22 THR 7 HG22 THR 7 25.083 -23.730 34.099 56 HG23 THR 7 HG23 THR 7 24.906 -25.480 34.213 57 H ALA 8 HN ALA 8 24.404 -27.879 32.639 58 HA ALA 8 HA ALA 8 23.019 -27.699 30.091 59 HB1 ALA 8 HB1 ALA 8 21.580 -29.434 30.928 60 HB2 ALA 8 HB2 ALA 8 22.133 -29.175 32.581 61 HB3 ALA 8 HB3 ALA 8 23.233 -29.851 31.377 62 H ASP 9 HN ASP 9 22.832 -26.161 33.160 63 HA ASP 9 HA ASP 9 20.071 -25.531 33.208 64 HB2 ASP 9 HB2 ASP 9 22.454 -24.142 34.454 65 HB3 ASP 9 HB1 ASP 9 20.792 -23.619 34.703 66 H ALA 10 HN ALA 10 22.757 -24.214 31.439 67 HA ALA 10 HA ALA 10 21.687 -21.675 30.815 68 HB1 ALA 10 HB1 ALA 10 23.237 -21.681 28.890 69 HB2 ALA 10 HB2 ALA 10 23.564 -23.392 29.156 70 HB3 ALA 10 HB3 ALA 10 24.040 -22.203 30.368 71 H GLU 11 HN GLU 11 20.978 -24.862 29.601 72 HA GLU 11 HA GLU 11 19.794 -24.134 27.142 73 HB2 GLU 11 HB2 GLU 11 19.317 -26.524 28.946 74 HB3 GLU 11 HB1 GLU 11 18.550 -26.324 27.372 75 HG2 GLU 11 HG2 GLU 11 20.698 -26.249 26.262 76 HG3 GLU 11 HG1 GLU 11 21.544 -26.240 27.807 77 H LEU 12 HN LEU 12 18.515 -24.235 30.439 78 HA LEU 12 HA LEU 12 15.793 -23.872 29.741 79 HB2 LEU 12 HB2 LEU 12 17.292 -23.222 32.293 80 HB3 LEU 12 HB1 LEU 12 15.557 -22.998 32.110 81 HG LEU 12 HG LEU 12 16.971 -25.641 31.624 82 HD11 LEU 12 HD11 LEU 12 15.466 -24.680 34.077 83 HD12 LEU 12 HD12 LEU 12 17.210 -24.920 33.975 84 HD13 LEU 12 HD13 LEU 12 16.121 -26.302 33.839 85 HD21 LEU 12 HD21 LEU 12 14.916 -25.844 30.534 86 HD22 LEU 12 HD22 LEU 12 14.101 -24.717 31.618 87 HD23 LEU 12 HD23 LEU 12 14.461 -26.357 32.154 88 H GLN 13 HN GLN 13 18.456 -21.614 30.229 89 HA GLN 13 HA GLN 13 16.892 -19.254 30.278 90 HB2 GLN 13 HB2 GLN 13 19.794 -19.697 29.512 91 HB3 GLN 13 HB1 GLN 13 19.040 -18.108 29.561 92 HG2 GLN 13 HG2 GLN 13 19.159 -20.029 31.907 93 HG3 GLN 13 HG1 GLN 13 20.245 -18.666 31.671 94 HE21 GLN 13 HE21 GLN 13 18.854 -16.499 31.174 95 HE22 GLN 13 HE22 GLN 13 17.566 -16.248 32.250 96 H ARG 14 HN ARG 14 18.227 -21.169 27.623 97 HA ARG 14 HA ARG 14 17.751 -19.301 25.564 98 HB2 ARG 14 HB2 ARG 14 17.907 -22.327 25.495 99 HB3 ARG 14 HB1 ARG 14 17.737 -21.327 24.054 100 HG2 ARG 14 HG2 ARG 14 19.805 -20.128 24.620 101 HG3 ARG 14 HG1 ARG 14 19.976 -21.097 26.084 102 HD2 ARG 14 HD2 ARG 14 20.117 -23.144 24.723 103 HD3 ARG 14 HD1 ARG 14 19.935 -22.187 23.256 104 HE ARG 14 HE ARG 14 22.120 -21.172 24.717 105 HH11 ARG 14 HH11 ARG 14 24.223 -21.746 24.079 106 HH12 ARG 14 HH12 ARG 14 24.475 -23.162 23.113 107 HH21 ARG 14 HH21 ARG 14 21.110 -23.989 22.980 108 HH22 ARG 14 HH22 ARG 14 22.711 -24.431 22.491 109 H LEU 15 HN LEU 15 15.648 -21.701 27.101 110 HA LEU 15 HA LEU 15 13.523 -21.525 25.245 111 HB2 LEU 15 HB2 LEU 15 13.529 -22.282 28.182 112 HB3 LEU 15 HB1 LEU 15 12.108 -22.390 27.149 113 HG LEU 15 HG LEU 15 14.745 -23.756 26.536 114 HD11 LEU 15 HD11 LEU 15 12.224 -24.882 27.795 115 HD12 LEU 15 HD12 LEU 15 13.764 -24.634 28.617 116 HD13 LEU 15 HD13 LEU 15 13.638 -25.821 27.319 117 HD21 LEU 15 HD21 LEU 15 12.956 -25.180 25.159 118 HD22 LEU 15 HD22 LEU 15 13.623 -23.698 24.491 119 HD23 LEU 15 HD23 LEU 15 12.027 -23.684 25.238 120 H LYS 16 HN LYS 16 14.378 -19.576 28.068 121 HA LYS 16 HA LYS 16 11.948 -18.121 28.212 122 HB2 LYS 16 HB2 LYS 16 14.750 -17.408 29.120 123 HB3 LYS 16 HB1 LYS 16 13.324 -16.429 29.462 124 HG2 LYS 16 HG2 LYS 16 12.266 -18.346 30.595 125 HG3 LYS 16 HG1 LYS 16 13.689 -19.334 30.254 126 HD2 LYS 16 HD2 LYS 16 15.087 -17.761 31.558 127 HD3 LYS 16 HD1 LYS 16 13.652 -16.799 31.920 128 HE2 LYS 16 HE2 LYS 16 14.016 -19.716 32.667 129 HE3 LYS 16 HE1 LYS 16 14.217 -18.358 33.773 130 HZ1 LYS 16 HZ1 LYS 16 12.041 -19.030 34.115 131 HZ2 LYS 16 HZ2 LYS 16 11.755 -19.326 32.466 132 HZ3 LYS 16 HZ3 LYS 16 11.866 -17.731 33.039 133 H ASN 17 HN ASN 17 14.739 -17.883 26.147 134 HA ASN 17 HA ASN 17 15.258 -16.457 24.389 135 HB2 ASN 17 HB2 ASN 17 12.255 -16.066 24.418 136 HB3 ASN 17 HB1 ASN 17 13.336 -15.626 23.097 137 HD21 ASN 17 HD21 ASN 17 11.115 -17.828 23.511 138 HD22 ASN 17 HD22 ASN 17 11.866 -19.223 22.902 139 H GLU 18 HN GLU 18 15.500 -15.345 27.010 140 HA GLU 18 HA GLU 18 15.758 -13.303 28.075 141 HB2 GLU 18 HB2 GLU 18 15.592 -12.258 25.235 142 HB3 GLU 18 HB1 GLU 18 16.230 -11.385 26.629 143 HG2 GLU 18 HG2 GLU 18 17.326 -14.024 25.616 144 HG3 GLU 18 HG1 GLU 18 18.018 -12.448 25.237 145 H ARG 19 HN ARG 19 13.065 -14.361 27.765 146 HA ARG 19 HA ARG 19 10.834 -13.705 27.867 147 HB2 ARG 19 HB2 ARG 19 12.183 -11.412 29.315 148 HB3 ARG 19 HB1 ARG 19 10.471 -11.824 29.425 149 HG2 ARG 19 HG2 ARG 19 10.976 -13.970 30.408 150 HG3 ARG 19 HG1 ARG 19 12.702 -13.754 30.111 151 HD2 ARG 19 HD2 ARG 19 11.034 -11.968 31.903 152 HD3 ARG 19 HD1 ARG 19 12.058 -13.281 32.479 153 HE ARG 19 HE ARG 19 13.654 -11.622 30.889 154 HH11 ARG 19 HH11 ARG 19 14.978 -10.056 31.865 155 HH12 ARG 19 HH12 ARG 19 14.608 -9.488 33.459 156 HH21 ARG 19 HH21 ARG 19 11.807 -11.499 33.812 157 HH22 ARG 19 HH22 ARG 19 12.813 -10.305 34.561 158 H HIS 20 HN HIS 20 10.769 -10.484 28.191 159 HA HIS 20 HA HIS 20 10.080 -8.741 26.832 160 HB2 HIS 20 HB2 HIS 20 11.911 -10.116 24.849 161 HB3 HIS 20 HB1 HIS 20 11.267 -8.484 24.687 162 HD2 HIS 20 HD2 HIS 20 11.905 -8.303 28.233 163 HE1 HIS 20 HE1 HIS 20 15.794 -7.845 26.654 164 HE2 HIS 20 HE2 HIS 20 14.358 -7.562 28.729 165 H GLU 21 HN GLU 21 8.568 -11.309 26.861 166 HA GLU 21 HA GLU 21 7.623 -11.870 24.240 167 HB2 GLU 21 HB2 GLU 21 6.443 -12.480 26.957 168 HB3 GLU 21 HB1 GLU 21 5.687 -12.975 25.444 169 HG2 GLU 21 HG2 GLU 21 7.625 -14.269 24.815 170 HG3 GLU 21 HG1 GLU 21 8.545 -13.648 26.184 171 H GLU 22 HN GLU 22 6.471 -9.645 26.749 172 HA GLU 22 HA GLU 22 4.040 -8.957 25.452 173 HB2 GLU 22 HB2 GLU 22 5.692 -7.477 27.515 174 HB3 GLU 22 HB1 GLU 22 4.133 -6.908 26.922 175 HG2 GLU 22 HG2 GLU 22 3.041 -8.935 27.688 176 HG3 GLU 22 HG1 GLU 22 4.586 -9.628 28.167 177 H ALA 23 HN ALA 23 7.326 -7.937 25.044 178 HA ALA 23 HA ALA 23 6.891 -5.454 23.791 179 HB1 ALA 23 HB1 ALA 23 9.129 -5.920 24.426 180 HB2 ALA 23 HB2 ALA 23 9.136 -5.887 22.665 181 HB3 ALA 23 HB3 ALA 23 9.170 -7.429 23.515 182 H GLU 24 HN GLU 24 6.847 -8.745 22.446 183 HA GLU 24 HA GLU 24 6.730 -7.958 19.727 184 HB2 GLU 24 HB2 GLU 24 5.751 -10.483 21.103 185 HB3 GLU 24 HB1 GLU 24 5.718 -10.241 19.360 186 HG2 GLU 24 HG2 GLU 24 7.753 -11.362 19.708 187 HG3 GLU 24 HG1 GLU 24 8.243 -9.676 19.591 188 H LEU 25 HN LEU 25 4.251 -8.354 22.207 189 HA LEU 25 HA LEU 25 2.018 -8.173 20.489 190 HB2 LEU 25 HB2 LEU 25 1.772 -8.984 22.785 191 HB3 LEU 25 HB1 LEU 25 2.222 -7.407 23.424 192 HG LEU 25 HG LEU 25 0.238 -6.405 22.324 193 HD11 LEU 25 HD11 LEU 25 -0.249 -7.705 20.435 194 HD12 LEU 25 HD12 LEU 25 -1.503 -8.229 21.556 195 HD13 LEU 25 HD13 LEU 25 -0.069 -9.226 21.309 196 HD21 LEU 25 HD21 LEU 25 0.181 -7.396 24.656 197 HD22 LEU 25 HD22 LEU 25 -0.536 -8.843 23.947 198 HD23 LEU 25 HD23 LEU 25 -1.387 -7.300 23.856 199 H GLU 26 HN GLU 26 3.980 -5.691 22.088 200 HA GLU 26 HA GLU 26 2.304 -3.500 21.499 201 HB2 GLU 26 HB2 GLU 26 4.150 -3.331 23.123 202 HB3 GLU 26 HB1 GLU 26 5.324 -3.486 21.820 203 HG2 GLU 26 HG2 GLU 26 4.472 -1.437 20.775 204 HG3 GLU 26 HG1 GLU 26 3.243 -1.294 22.030 205 H ARG 27 HN ARG 27 4.832 -5.097 19.587 206 HA ARG 27 HA ARG 27 4.922 -3.161 17.524 207 HB2 ARG 27 HB2 ARG 27 5.635 -6.105 17.517 208 HB3 ARG 27 HB1 ARG 27 5.846 -5.056 16.116 209 HG2 ARG 27 HG2 ARG 27 7.337 -3.600 17.359 210 HG3 ARG 27 HG1 ARG 27 7.046 -4.501 18.846 211 HD2 ARG 27 HD2 ARG 27 9.165 -5.211 17.859 212 HD3 ARG 27 HD1 ARG 27 7.999 -6.530 17.780 213 HE ARG 27 HE ARG 27 7.925 -4.964 15.394 214 HH11 ARG 27 HH11 ARG 27 8.846 -5.874 13.527 215 HH12 ARG 27 HH12 ARG 27 9.947 -7.202 13.671 216 HH21 ARG 27 HH21 ARG 27 9.756 -7.330 17.130 217 HH22 ARG 27 HH22 ARG 27 10.463 -8.028 15.711 218 H LEU 28 HN LEU 28 2.828 -5.961 18.069 219 HA LEU 28 HA LEU 28 1.506 -5.625 15.491 220 HB2 LEU 28 HB2 LEU 28 0.858 -7.446 17.827 221 HB3 LEU 28 HB1 LEU 28 0.064 -7.481 16.257 222 HG LEU 28 HG LEU 28 3.033 -7.933 16.702 223 HD11 LEU 28 HD11 LEU 28 0.784 -9.881 16.111 224 HD12 LEU 28 HD12 LEU 28 1.686 -9.763 17.622 225 HD13 LEU 28 HD13 LEU 28 2.499 -10.290 16.149 226 HD21 LEU 28 HD21 LEU 28 2.888 -7.179 14.492 227 HD22 LEU 28 HD22 LEU 28 1.259 -7.817 14.267 228 HD23 LEU 28 HD23 LEU 28 2.645 -8.909 14.268 229 H LYS 29 HN LYS 29 1.269 -4.349 18.627 230 HA LYS 29 HA LYS 29 -1.515 -3.943 18.846 231 HB2 LYS 29 HB2 LYS 29 -0.010 -3.629 20.766 232 HB3 LYS 29 HB1 LYS 29 0.714 -2.220 19.990 233 HG2 LYS 29 HG2 LYS 29 -1.474 -1.084 19.996 234 HG3 LYS 29 HG1 LYS 29 -2.211 -2.501 20.746 235 HD2 LYS 29 HD2 LYS 29 -0.724 -2.245 22.697 236 HD3 LYS 29 HD1 LYS 29 0.019 -0.832 21.947 237 HE2 LYS 29 HE2 LYS 29 -2.159 0.322 21.944 238 HE3 LYS 29 HE1 LYS 29 -2.912 -1.091 22.684 239 HZ1 LYS 29 HZ1 LYS 29 -1.999 -0.650 24.681 240 HZ2 LYS 29 HZ2 LYS 29 -1.958 0.941 24.085 241 HZ3 LYS 29 HZ3 LYS 29 -0.563 -0.027 24.028 242 H SER 30 HN SER 30 1.007 -2.044 17.220 243 HA SER 30 HA SER 30 -0.563 0.228 16.647 244 HB2 SER 30 HB2 SER 30 1.101 0.700 14.912 245 HB3 SER 30 HB1 SER 30 1.893 0.173 16.395 246 HG SER 30 HG SER 30 1.792 -1.001 13.921 247 H GLU 31 HN GLU 31 -0.261 -2.896 15.073 248 HA GLU 31 HA GLU 31 -1.535 -2.230 12.641 249 HB2 GLU 31 HB2 GLU 31 -0.272 -4.319 12.903 250 HB3 GLU 31 HB1 GLU 31 -1.468 -4.923 14.044 251 HG2 GLU 31 HG2 GLU 31 -1.901 -5.849 11.828 252 HG3 GLU 31 HG1 GLU 31 -3.209 -4.756 12.268 253 H ALA 32 HN ALA 32 -2.827 -3.272 15.784 254 HA ALA 32 HA ALA 32 -5.550 -3.401 14.811 255 HB1 ALA 32 HB1 ALA 32 -4.602 -3.358 17.685 256 HB2 ALA 32 HB2 ALA 32 -4.703 -4.820 16.701 257 HB3 ALA 32 HB3 ALA 32 -6.164 -3.910 17.082 258 H ALA 33 HN ALA 33 -3.455 -0.954 15.988 259 HA ALA 33 HA ALA 33 -5.575 0.791 16.949 260 HB1 ALA 33 HB1 ALA 33 -2.685 1.512 16.408 261 HB2 ALA 33 HB2 ALA 33 -3.254 0.801 17.920 262 HB3 ALA 33 HB3 ALA 33 -3.838 2.385 17.416 263 H ASP 34 HN ASP 34 -4.166 0.047 13.946 264 HA ASP 34 HA ASP 34 -4.792 2.642 12.734 265 HB2 ASP 34 HB2 ASP 34 -2.712 1.485 12.071 266 HB3 ASP 34 HB1 ASP 34 -3.664 0.130 11.468 267 H HIS 35 HN HIS 35 -6.853 3.007 12.275 268 HA HIS 35 HA HIS 35 -9.026 2.694 11.519 269 HB2 HIS 35 HB2 HIS 35 -7.780 2.458 9.388 270 HB3 HIS 35 HB1 HIS 35 -7.652 0.722 9.674 271 HD2 HIS 35 HD2 HIS 35 -9.823 -0.699 8.713 272 HE1 HIS 35 HE1 HIS 35 -12.519 2.526 8.331 273 HE2 HIS 35 HE2 HIS 35 -12.198 0.042 7.918 274 H ASP 36 HN ASP 36 -7.983 0.969 13.696 275 HA ASP 36 HA ASP 36 -10.191 -0.913 13.742 276 HB2 ASP 36 HB2 ASP 36 -8.540 -2.266 12.595 277 HB3 ASP 36 HB1 ASP 36 -7.317 -1.864 13.798 278 H LYS 37 HN LYS 37 -8.461 1.381 15.169 279 HA LYS 37 HA LYS 37 -7.806 0.415 17.733 280 HB2 LYS 37 HB2 LYS 37 -7.816 2.754 18.427 281 HB3 LYS 37 HB1 LYS 37 -7.051 2.600 16.848 282 HG2 LYS 37 HG2 LYS 37 -9.184 3.256 15.763 283 HG3 LYS 37 HG1 LYS 37 -9.920 3.456 17.354 284 HD2 LYS 37 HD2 LYS 37 -8.244 5.172 17.922 285 HD3 LYS 37 HD1 LYS 37 -7.509 4.982 16.329 286 HE2 LYS 37 HE2 LYS 37 -9.625 5.669 15.265 287 HE3 LYS 37 HE1 LYS 37 -10.366 5.856 16.856 288 HZ1 LYS 37 HZ1 LYS 37 -9.673 7.983 16.365 289 HZ2 LYS 37 HZ2 LYS 37 -8.250 7.469 15.592 290 HZ3 LYS 37 HZ3 LYS 37 -8.371 7.404 17.286 291 H LYS 38 HN LYS 38 -10.857 1.456 16.356 292 HA LYS 38 HA LYS 38 -12.290 1.782 18.764 293 HB2 LYS 38 HB2 LYS 38 -13.236 1.091 15.967 294 HB3 LYS 38 HB1 LYS 38 -14.325 1.357 17.329 295 HG2 LYS 38 HG2 LYS 38 -13.544 3.609 17.626 296 HG3 LYS 38 HG1 LYS 38 -12.215 3.360 16.494 297 HD2 LYS 38 HD2 LYS 38 -13.910 4.590 15.316 298 HD3 LYS 38 HD1 LYS 38 -13.954 2.941 14.699 299 HE2 LYS 38 HE2 LYS 38 -15.891 2.416 16.051 300 HE3 LYS 38 HE1 LYS 38 -15.778 3.961 16.895 301 HZ1 LYS 38 HZ1 LYS 38 -15.992 4.950 14.556 302 HZ2 LYS 38 HZ2 LYS 38 -17.388 4.325 15.295 303 HZ3 LYS 38 HZ3 LYS 38 -16.575 3.421 14.108 304 H GLU 39 HN GLU 39 -11.594 -1.084 16.805 305 HA GLU 39 HA GLU 39 -13.377 -2.828 18.171 306 HB2 GLU 39 HB2 GLU 39 -10.849 -3.449 16.618 307 HB3 GLU 39 HB1 GLU 39 -12.037 -4.640 17.145 308 HG2 GLU 39 HG2 GLU 39 -12.685 -2.271 15.371 309 HG3 GLU 39 HG1 GLU 39 -12.357 -3.896 14.770 310 H ALA 40 HN ALA 40 -10.234 -1.574 18.907 311 HA ALA 40 HA ALA 40 -9.345 -3.580 20.700 312 HB1 ALA 40 HB1 ALA 40 -7.858 -1.793 19.813 313 HB2 ALA 40 HB2 ALA 40 -7.802 -1.910 21.571 314 HB3 ALA 40 HB3 ALA 40 -8.718 -0.614 20.806 315 H GLU 41 HN GLU 41 -11.780 -1.167 20.961 316 HA GLU 41 HA GLU 41 -11.806 -0.764 23.748 317 HB2 GLU 41 HB2 GLU 41 -14.034 -0.597 21.702 318 HB3 GLU 41 HB1 GLU 41 -14.239 -0.165 23.397 319 HG2 GLU 41 HG2 GLU 41 -12.526 1.534 23.238 320 HG3 GLU 41 HG1 GLU 41 -12.118 1.029 21.599 321 H ARG 42 HN ARG 42 -13.197 -3.340 21.751 322 HA ARG 42 HA ARG 42 -14.831 -4.487 23.742 323 HB2 ARG 42 HB2 ARG 42 -13.505 -5.725 21.315 324 HB3 ARG 42 HB1 ARG 42 -14.608 -6.600 22.374 325 HG2 ARG 42 HG2 ARG 42 -16.350 -4.894 21.960 326 HG3 ARG 42 HG1 ARG 42 -15.252 -4.051 20.867 327 HD2 ARG 42 HD2 ARG 42 -16.108 -6.934 20.511 328 HD3 ARG 42 HD1 ARG 42 -16.872 -5.573 19.694 329 HE ARG 42 HE ARG 42 -14.145 -5.379 19.167 330 HH11 ARG 42 HH11 ARG 42 -13.275 -6.231 17.247 331 HH12 ARG 42 HH12 ARG 42 -14.125 -7.477 16.396 332 HH21 ARG 42 HH21 ARG 42 -16.748 -7.601 18.661 333 HH22 ARG 42 HH22 ARG 42 -16.091 -8.253 17.196 334 H LYS 43 HN LYS 43 -11.398 -4.873 22.988 335 HA LYS 43 HA LYS 43 -10.903 -7.102 24.656 336 HB2 LYS 43 HB2 LYS 43 -9.346 -6.342 22.879 337 HB3 LYS 43 HB1 LYS 43 -8.919 -4.945 23.862 338 HG2 LYS 43 HG2 LYS 43 -8.211 -6.503 25.690 339 HG3 LYS 43 HG1 LYS 43 -8.534 -7.858 24.613 340 HD2 LYS 43 HD2 LYS 43 -6.645 -5.619 23.864 341 HD3 LYS 43 HD1 LYS 43 -6.103 -7.049 24.738 342 HE2 LYS 43 HE2 LYS 43 -7.080 -8.451 22.872 343 HE3 LYS 43 HE1 LYS 43 -7.350 -6.958 21.977 344 HZ1 LYS 43 HZ1 LYS 43 -5.248 -6.952 21.357 345 HZ2 LYS 43 HZ2 LYS 43 -5.003 -8.433 22.155 346 HZ3 LYS 43 HZ3 LYS 43 -4.726 -6.968 22.971 347 H ALA 44 HN ALA 44 -10.957 -3.628 25.336 348 HA ALA 44 HA ALA 44 -9.697 -3.690 27.848 349 HB1 ALA 44 HB1 ALA 44 -11.902 -1.831 26.910 350 HB2 ALA 44 HB2 ALA 44 -10.169 -1.577 26.696 351 HB3 ALA 44 HB3 ALA 44 -10.868 -1.570 28.313 352 H LEU 45 HN LEU 45 -12.819 -4.790 26.892 353 HA LEU 45 HA LEU 45 -14.136 -4.623 29.401 354 HB2 LEU 45 HB2 LEU 45 -14.606 -6.479 27.049 355 HB3 LEU 45 HB1 LEU 45 -15.669 -6.357 28.447 356 HG LEU 45 HG LEU 45 -14.930 -4.020 26.661 357 HD11 LEU 45 HD11 LEU 45 -17.254 -4.267 25.790 358 HD12 LEU 45 HD12 LEU 45 -17.414 -5.762 26.713 359 HD13 LEU 45 HD13 LEU 45 -16.236 -5.654 25.404 360 HD21 LEU 45 HD21 LEU 45 -16.683 -4.367 29.089 361 HD22 LEU 45 HD22 LEU 45 -17.174 -3.210 27.852 362 HD23 LEU 45 HD23 LEU 45 -15.621 -3.026 28.656 363 H GLU 46 HN GLU 46 -11.845 -6.877 28.040 364 HA GLU 46 HA GLU 46 -12.334 -9.052 29.794 365 HB2 GLU 46 HB2 GLU 46 -9.808 -8.253 28.320 366 HB3 GLU 46 HB1 GLU 46 -10.041 -9.786 29.157 367 HG2 GLU 46 HG2 GLU 46 -11.861 -8.784 26.954 368 HG3 GLU 46 HG1 GLU 46 -10.514 -9.889 26.685 369 H ASP 47 HN ASP 47 -10.621 -6.043 30.167 370 HA ASP 47 HA ASP 47 -8.947 -6.745 32.323 371 HB2 ASP 47 HB2 ASP 47 -10.147 -4.081 31.523 372 HB3 ASP 47 HB1 ASP 47 -9.031 -4.269 32.871 373 H LYS 48 HN LYS 48 -12.347 -5.769 32.219 374 HA LYS 48 HA LYS 48 -12.677 -5.345 34.986 375 HB2 LYS 48 HB2 LYS 48 -14.373 -4.617 33.359 376 HB3 LYS 48 HB1 LYS 48 -14.763 -6.296 32.989 377 HG2 LYS 48 HG2 LYS 48 -15.439 -6.665 35.331 378 HG3 LYS 48 HG1 LYS 48 -15.022 -4.995 35.718 379 HD2 LYS 48 HD2 LYS 48 -16.706 -4.198 34.104 380 HD3 LYS 48 HD1 LYS 48 -17.121 -5.867 33.710 381 HE2 LYS 48 HE2 LYS 48 -17.795 -6.260 36.047 382 HE3 LYS 48 HE1 LYS 48 -17.371 -4.597 36.453 383 HZ1 LYS 48 HZ1 LYS 48 -19.810 -5.368 35.703 384 HZ2 LYS 48 HZ2 LYS 48 -19.163 -4.913 34.198 385 HZ3 LYS 48 HZ3 LYS 48 -19.210 -3.797 35.478 386 H LEU 49 HN LEU 49 -12.826 -8.304 33.032 387 HA LEU 49 HA LEU 49 -13.826 -9.986 35.074 388 HB2 LEU 49 HB2 LEU 49 -12.148 -10.624 32.629 389 HB3 LEU 49 HB1 LEU 49 -12.825 -11.846 33.699 390 HG LEU 49 HG LEU 49 -14.479 -9.726 32.298 391 HD11 LEU 49 HD11 LEU 49 -15.189 -11.696 30.854 392 HD12 LEU 49 HD12 LEU 49 -13.820 -12.579 31.531 393 HD13 LEU 49 HD13 LEU 49 -13.544 -11.118 30.585 394 HD21 LEU 49 HD21 LEU 49 -15.832 -10.459 34.051 395 HD22 LEU 49 HD22 LEU 49 -15.092 -12.059 34.104 396 HD23 LEU 49 HD23 LEU 49 -16.243 -11.659 32.830 397 H ALA 50 HN ALA 50 -10.567 -8.908 34.268 398 HA ALA 50 HA ALA 50 -9.149 -10.748 35.860 399 HB1 ALA 50 HB1 ALA 50 -7.902 -9.451 34.281 400 HB2 ALA 50 HB2 ALA 50 -7.330 -9.002 35.886 401 HB3 ALA 50 HB3 ALA 50 -8.421 -7.931 35.010 402 H ASP 51 HN ASP 51 -10.734 -7.689 36.706 403 HA ASP 51 HA ASP 51 -11.114 -6.690 38.766 404 HB2 ASP 51 HB2 ASP 51 -10.917 -9.598 39.578 405 HB3 ASP 51 HB1 ASP 51 -11.397 -8.310 40.677 406 H TYR 52 HN TYR 52 -8.390 -6.716 37.828 407 HA TYR 52 HA TYR 52 -7.058 -6.174 40.343 408 HB2 TYR 52 HB2 TYR 52 -6.606 -8.556 40.161 409 HB3 TYR 52 HB1 TYR 52 -6.049 -8.356 38.499 410 HD1 TYR 52 HD1 TYR 52 -5.345 -7.356 42.024 411 HD2 TYR 52 HD2 TYR 52 -3.811 -7.717 38.028 412 HE1 TYR 52 HE1 TYR 52 -3.065 -6.836 42.851 413 HE2 TYR 52 HE2 TYR 52 -1.532 -7.198 38.856 414 HH TYR 52 HH TYR 52 -0.548 -5.951 40.862 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 28.236 -1.031 45.313 2 H2 GLY 1 HT2 GLY 1 28.121 -2.130 46.604 3 H3 GLY 1 HT3 GLY 1 26.764 -1.812 45.633 4 HA2 GLY 1 HA2 GLY 1 29.143 -2.801 44.272 5 HA3 GLY 1 HA1 GLY 1 28.268 -3.945 45.289 6 H SER 2 HN SER 2 26.937 -1.207 43.489 7 HA SER 2 HA SER 2 24.840 -2.808 42.381 8 HB2 SER 2 HB2 SER 2 24.129 -0.770 41.286 9 HB3 SER 2 HB1 SER 2 24.614 -0.384 42.935 10 HG SER 2 HG SER 2 26.276 0.702 42.190 11 H VAL 3 HN VAL 3 28.062 -2.216 41.452 12 HA VAL 3 HA VAL 3 27.553 -3.463 38.825 13 HB VAL 3 HB VAL 3 29.177 -1.920 37.755 14 HG11 VAL 3 HG11 VAL 3 26.661 -1.582 37.742 15 HG12 VAL 3 HG12 VAL 3 27.613 -0.127 37.453 16 HG13 VAL 3 HG13 VAL 3 26.890 -0.408 39.037 17 HG21 VAL 3 HG21 VAL 3 29.981 0.030 38.841 18 HG22 VAL 3 HG22 VAL 3 30.213 -1.249 40.030 19 HG23 VAL 3 HG23 VAL 3 28.849 -0.140 40.181 20 H GLU 4 HN GLU 4 28.901 -3.991 41.621 21 HA GLU 4 HA GLU 4 31.647 -4.462 41.060 22 HB2 GLU 4 HB2 GLU 4 31.671 -5.748 43.115 23 HB3 GLU 4 HB1 GLU 4 30.700 -4.297 43.357 24 HG2 GLU 4 HG2 GLU 4 28.654 -5.671 42.846 25 HG3 GLU 4 HG1 GLU 4 29.683 -7.098 42.828 26 H LYS 5 HN LYS 5 28.776 -6.159 40.216 27 HA LYS 5 HA LYS 5 28.397 -8.171 39.118 28 HB2 LYS 5 HB2 LYS 5 31.233 -7.636 38.222 29 HB3 LYS 5 HB1 LYS 5 30.155 -8.827 37.495 30 HG2 LYS 5 HG2 LYS 5 28.504 -6.948 37.093 31 HG3 LYS 5 HG1 LYS 5 29.765 -5.825 37.591 32 HD2 LYS 5 HD2 LYS 5 30.142 -7.835 35.359 33 HD3 LYS 5 HD1 LYS 5 29.570 -6.193 35.083 34 HE2 LYS 5 HE2 LYS 5 31.651 -5.351 36.228 35 HE3 LYS 5 HE1 LYS 5 32.236 -7.014 36.270 36 HZ1 LYS 5 HZ1 LYS 5 31.835 -5.252 33.965 37 HZ2 LYS 5 HZ2 LYS 5 31.658 -6.929 33.752 38 HZ3 LYS 5 HZ3 LYS 5 33.128 -6.291 34.317 39 H LEU 6 HN LEU 6 29.166 -8.468 41.838 40 HA LEU 6 HA LEU 6 30.977 -10.811 41.815 41 HB2 LEU 6 HB2 LEU 6 29.995 -9.068 44.087 42 HB3 LEU 6 HB1 LEU 6 30.927 -10.543 44.317 43 HG LEU 6 HG LEU 6 31.873 -8.187 42.646 44 HD11 LEU 6 HD11 LEU 6 31.592 -7.678 45.096 45 HD12 LEU 6 HD12 LEU 6 33.255 -7.561 44.522 46 HD13 LEU 6 HD13 LEU 6 32.736 -8.976 45.439 47 HD21 LEU 6 HD21 LEU 6 34.126 -9.464 43.239 48 HD22 LEU 6 HD22 LEU 6 33.134 -10.007 41.892 49 HD23 LEU 6 HD23 LEU 6 33.049 -10.846 43.440 50 H THR 7 HN THR 7 27.831 -10.259 41.367 51 HA THR 7 HA THR 7 26.930 -12.606 42.950 52 HB THR 7 HB THR 7 25.330 -10.314 41.786 53 HG1 THR 7 HG1 THR 7 25.002 -10.420 44.323 54 HG21 THR 7 HG21 THR 7 23.499 -11.382 43.180 55 HG22 THR 7 HG22 THR 7 24.551 -12.789 43.335 56 HG23 THR 7 HG23 THR 7 23.979 -12.286 41.743 57 H ALA 8 HN ALA 8 26.459 -14.396 41.865 58 HA ALA 8 HA ALA 8 26.534 -14.410 38.964 59 HB1 ALA 8 HB1 ALA 8 26.438 -16.807 39.128 60 HB2 ALA 8 HB2 ALA 8 25.923 -16.730 40.811 61 HB3 ALA 8 HB3 ALA 8 27.557 -16.232 40.362 62 H ASP 9 HN ASP 9 24.111 -14.263 41.414 63 HA ASP 9 HA ASP 9 21.964 -15.460 39.999 64 HB2 ASP 9 HB2 ASP 9 21.991 -13.395 42.214 65 HB3 ASP 9 HB1 ASP 9 20.512 -14.072 41.540 66 H ALA 10 HN ALA 10 23.473 -12.332 39.808 67 HA ALA 10 HA ALA 10 21.385 -10.889 38.570 68 HB1 ALA 10 HB1 ALA 10 23.385 -9.765 39.452 69 HB2 ALA 10 HB2 ALA 10 23.142 -9.371 37.752 70 HB3 ALA 10 HB3 ALA 10 24.378 -10.539 38.215 71 H GLU 11 HN GLU 11 23.510 -13.343 37.381 72 HA GLU 11 HA GLU 11 23.428 -12.731 34.626 73 HB2 GLU 11 HB2 GLU 11 25.042 -14.341 35.557 74 HB3 GLU 11 HB1 GLU 11 23.733 -15.465 35.914 75 HG2 GLU 11 HG2 GLU 11 23.170 -15.601 33.528 76 HG3 GLU 11 HG1 GLU 11 24.429 -14.425 33.152 77 H LEU 12 HN LEU 12 21.178 -14.579 36.671 78 HA LEU 12 HA LEU 12 19.639 -15.625 34.544 79 HB2 LEU 12 HB2 LEU 12 18.913 -15.091 37.433 80 HB3 LEU 12 HB1 LEU 12 17.812 -15.847 36.290 81 HG LEU 12 HG LEU 12 20.599 -16.893 36.880 82 HD11 LEU 12 HD11 LEU 12 17.934 -17.838 37.971 83 HD12 LEU 12 HD12 LEU 12 19.145 -16.946 38.889 84 HD13 LEU 12 HD13 LEU 12 19.507 -18.566 38.292 85 HD21 LEU 12 HD21 LEU 12 20.013 -17.873 34.844 86 HD22 LEU 12 HD22 LEU 12 18.284 -17.816 35.186 87 HD23 LEU 12 HD23 LEU 12 19.298 -19.032 35.960 88 H GLN 13 HN GLN 13 19.411 -12.546 36.304 89 HA GLN 13 HA GLN 13 16.950 -11.757 35.128 90 HB2 GLN 13 HB2 GLN 13 19.157 -10.152 36.437 91 HB3 GLN 13 HB1 GLN 13 17.699 -9.411 35.783 92 HG2 GLN 13 HG2 GLN 13 17.329 -9.827 38.132 93 HG3 GLN 13 HG1 GLN 13 16.341 -10.966 37.222 94 HE21 GLN 13 HE21 GLN 13 16.364 -12.883 38.418 95 HE22 GLN 13 HE22 GLN 13 17.765 -13.614 39.038 96 H ARG 14 HN ARG 14 20.317 -11.392 34.104 97 HA ARG 14 HA ARG 14 19.837 -9.563 32.008 98 HB2 ARG 14 HB2 ARG 14 22.034 -11.617 32.380 99 HB3 ARG 14 HB1 ARG 14 21.992 -10.464 31.047 100 HG2 ARG 14 HG2 ARG 14 21.940 -8.597 32.645 101 HG3 ARG 14 HG1 ARG 14 21.954 -9.738 33.990 102 HD2 ARG 14 HD2 ARG 14 24.136 -10.602 33.237 103 HD3 ARG 14 HD1 ARG 14 24.123 -9.471 31.888 104 HE ARG 14 HE ARG 14 23.795 -8.015 34.279 105 HH11 ARG 14 HH11 ARG 14 25.589 -6.939 35.162 106 HH12 ARG 14 HH12 ARG 14 27.190 -7.427 34.717 107 HH21 ARG 14 HH21 ARG 14 26.116 -9.947 32.591 108 HH22 ARG 14 HH22 ARG 14 27.490 -9.129 33.260 109 H LEU 15 HN LEU 15 19.606 -13.088 32.163 110 HA LEU 15 HA LEU 15 19.313 -13.527 29.380 111 HB2 LEU 15 HB2 LEU 15 18.366 -15.160 31.753 112 HB3 LEU 15 HB1 LEU 15 18.238 -15.693 30.082 113 HG LEU 15 HG LEU 15 20.843 -14.872 31.399 114 HD11 LEU 15 HD11 LEU 15 19.753 -17.655 30.878 115 HD12 LEU 15 HD12 LEU 15 19.845 -16.884 32.462 116 HD13 LEU 15 HD13 LEU 15 21.325 -17.267 31.581 117 HD21 LEU 15 HD21 LEU 15 21.623 -16.414 29.365 118 HD22 LEU 15 HD22 LEU 15 21.267 -14.710 29.109 119 HD23 LEU 15 HD23 LEU 15 20.069 -15.931 28.686 120 H LYS 16 HN LYS 16 17.050 -12.599 31.906 121 HA LYS 16 HA LYS 16 14.657 -13.125 30.521 122 HB2 LYS 16 HB2 LYS 16 14.651 -12.613 32.918 123 HB3 LYS 16 HB1 LYS 16 15.187 -10.966 32.584 124 HG2 LYS 16 HG2 LYS 16 13.153 -10.453 31.415 125 HG3 LYS 16 HG1 LYS 16 12.655 -12.143 31.420 126 HD2 LYS 16 HD2 LYS 16 11.397 -11.057 33.151 127 HD3 LYS 16 HD1 LYS 16 12.638 -12.013 33.960 128 HE2 LYS 16 HE2 LYS 16 14.008 -10.052 34.319 129 HE3 LYS 16 HE1 LYS 16 12.940 -9.065 33.320 130 HZ1 LYS 16 HZ1 LYS 16 12.733 -9.119 35.922 131 HZ2 LYS 16 HZ2 LYS 16 11.782 -10.490 35.598 132 HZ3 LYS 16 HZ3 LYS 16 11.361 -8.984 34.934 133 H ASN 17 HN ASN 17 16.824 -10.311 30.425 134 HA ASN 17 HA ASN 17 16.886 -8.491 28.988 135 HB2 ASN 17 HB2 ASN 17 16.960 -10.511 27.398 136 HB3 ASN 17 HB1 ASN 17 15.260 -10.174 27.082 137 HD21 ASN 17 HD21 ASN 17 15.526 -9.383 24.916 138 HD22 ASN 17 HD22 ASN 17 16.384 -7.963 24.560 139 H GLU 18 HN GLU 18 14.772 -8.484 30.903 140 HA GLU 18 HA GLU 18 12.773 -7.409 31.375 141 HB2 GLU 18 HB2 GLU 18 13.560 -5.939 28.848 142 HB3 GLU 18 HB1 GLU 18 12.273 -5.434 29.944 143 HG2 GLU 18 HG2 GLU 18 13.889 -5.268 31.789 144 HG3 GLU 18 HG1 GLU 18 15.181 -5.805 30.717 145 H ARG 19 HN ARG 19 12.664 -9.870 29.794 146 HA ARG 19 HA ARG 19 11.198 -11.082 28.456 147 HB2 ARG 19 HB2 ARG 19 9.828 -10.546 30.475 148 HB3 ARG 19 HB1 ARG 19 9.207 -9.128 29.630 149 HG2 ARG 19 HG2 ARG 19 8.259 -10.528 27.878 150 HG3 ARG 19 HG1 ARG 19 8.981 -11.968 28.595 151 HD2 ARG 19 HD2 ARG 19 6.962 -10.190 29.989 152 HD3 ARG 19 HD1 ARG 19 6.565 -11.700 29.174 153 HE ARG 19 HE ARG 19 8.598 -12.273 31.000 154 HH11 ARG 19 HH11 ARG 19 8.087 -13.131 33.040 155 HH12 ARG 19 HH12 ARG 19 6.502 -12.894 33.700 156 HH21 ARG 19 HH21 ARG 19 5.349 -11.085 30.976 157 HH22 ARG 19 HH22 ARG 19 4.953 -11.736 32.532 158 H HIS 20 HN HIS 20 12.224 -10.156 26.513 159 HA HIS 20 HA HIS 20 11.134 -7.896 25.178 160 HB2 HIS 20 HB2 HIS 20 12.391 -8.665 23.244 161 HB3 HIS 20 HB1 HIS 20 13.381 -8.856 24.691 162 HD2 HIS 20 HD2 HIS 20 14.014 -11.523 25.347 163 HE1 HIS 20 HE1 HIS 20 11.896 -13.325 22.170 164 HE2 HIS 20 HE2 HIS 20 13.528 -13.748 24.068 165 H GLU 21 HN GLU 21 10.037 -11.109 25.585 166 HA GLU 21 HA GLU 21 8.564 -11.445 23.197 167 HB2 GLU 21 HB2 GLU 21 9.027 -13.336 24.704 168 HB3 GLU 21 HB1 GLU 21 7.996 -12.625 25.943 169 HG2 GLU 21 HG2 GLU 21 6.757 -14.331 24.718 170 HG3 GLU 21 HG1 GLU 21 6.069 -12.749 24.373 171 H GLU 22 HN GLU 22 7.784 -9.861 26.267 172 HA GLU 22 HA GLU 22 5.037 -9.453 25.748 173 HB2 GLU 22 HB2 GLU 22 5.993 -9.165 28.005 174 HB3 GLU 22 HB1 GLU 22 6.878 -7.742 27.457 175 HG2 GLU 22 HG2 GLU 22 4.768 -6.616 26.907 176 HG3 GLU 22 HG1 GLU 22 3.863 -8.052 27.384 177 H ALA 23 HN ALA 23 7.917 -7.597 24.858 178 HA ALA 23 HA ALA 23 6.589 -5.291 23.921 179 HB1 ALA 23 HB1 ALA 23 9.223 -6.481 22.991 180 HB2 ALA 23 HB2 ALA 23 9.004 -5.268 24.252 181 HB3 ALA 23 HB3 ALA 23 8.633 -4.874 22.576 182 H GLU 24 HN GLU 24 7.074 -8.451 22.496 183 HA GLU 24 HA GLU 24 6.526 -7.769 19.810 184 HB2 GLU 24 HB2 GLU 24 7.484 -9.956 20.427 185 HB3 GLU 24 HB1 GLU 24 5.970 -10.413 21.202 186 HG2 GLU 24 HG2 GLU 24 4.786 -10.198 19.065 187 HG3 GLU 24 HG1 GLU 24 6.274 -9.672 18.279 188 H LEU 25 HN LEU 25 4.395 -8.530 22.537 189 HA LEU 25 HA LEU 25 1.999 -8.680 21.029 190 HB2 LEU 25 HB2 LEU 25 2.470 -8.034 23.952 191 HB3 LEU 25 HB1 LEU 25 0.868 -8.166 23.239 192 HG LEU 25 HG LEU 25 2.954 -10.367 23.102 193 HD11 LEU 25 HD11 LEU 25 2.292 -9.880 25.439 194 HD12 LEU 25 HD12 LEU 25 1.695 -11.452 24.906 195 HD13 LEU 25 HD13 LEU 25 0.599 -10.074 24.990 196 HD21 LEU 25 HD21 LEU 25 1.425 -10.874 21.410 197 HD22 LEU 25 HD22 LEU 25 0.080 -10.086 22.234 198 HD23 LEU 25 HD23 LEU 25 0.650 -11.663 22.779 199 H GLU 26 HN GLU 26 3.770 -5.980 22.453 200 HA GLU 26 HA GLU 26 1.756 -4.030 22.133 201 HB2 GLU 26 HB2 GLU 26 3.785 -3.670 23.524 202 HB3 GLU 26 HB1 GLU 26 4.758 -3.570 22.060 203 HG2 GLU 26 HG2 GLU 26 2.341 -1.800 22.458 204 HG3 GLU 26 HG1 GLU 26 3.917 -1.358 23.106 205 H ARG 27 HN ARG 27 4.207 -5.276 19.902 206 HA ARG 27 HA ARG 27 3.872 -3.327 17.890 207 HB2 ARG 27 HB2 ARG 27 5.774 -4.883 17.859 208 HB3 ARG 27 HB1 ARG 27 4.686 -6.236 17.549 209 HG2 ARG 27 HG2 ARG 27 4.002 -5.269 15.428 210 HG3 ARG 27 HG1 ARG 27 4.932 -3.805 15.756 211 HD2 ARG 27 HD2 ARG 27 6.149 -6.571 15.554 212 HD3 ARG 27 HD1 ARG 27 6.093 -5.423 14.220 213 HE ARG 27 HE ARG 27 7.258 -4.110 16.402 214 HH11 ARG 27 HH11 ARG 27 9.518 -3.947 16.543 215 HH12 ARG 27 HH12 ARG 27 10.518 -5.067 15.677 216 HH21 ARG 27 HH21 ARG 27 7.847 -6.803 14.309 217 HH22 ARG 27 HH22 ARG 27 9.572 -6.682 14.412 218 H LEU 28 HN LEU 28 2.089 -6.311 18.587 219 HA LEU 28 HA LEU 28 0.568 -6.334 16.207 220 HB2 LEU 28 HB2 LEU 28 0.675 -8.315 17.643 221 HB3 LEU 28 HB1 LEU 28 -0.159 -7.461 18.936 222 HG LEU 28 HG LEU 28 -2.140 -7.190 17.472 223 HD11 LEU 28 HD11 LEU 28 -2.054 -8.778 15.373 224 HD12 LEU 28 HD12 LEU 28 -0.311 -8.542 15.494 225 HD13 LEU 28 HD13 LEU 28 -1.376 -7.157 15.257 226 HD21 LEU 28 HD21 LEU 28 -2.774 -9.600 17.426 227 HD22 LEU 28 HD22 LEU 28 -2.005 -9.141 18.945 228 HD23 LEU 28 HD23 LEU 28 -1.089 -10.025 17.726 229 H LYS 29 HN LYS 29 0.077 -4.713 19.322 230 HA LYS 29 HA LYS 29 -2.551 -3.813 18.827 231 HB2 LYS 29 HB2 LYS 29 -1.568 -3.751 21.080 232 HB3 LYS 29 HB1 LYS 29 -0.427 -2.511 20.567 233 HG2 LYS 29 HG2 LYS 29 -2.297 -0.992 20.045 234 HG3 LYS 29 HG1 LYS 29 -3.448 -2.239 20.528 235 HD2 LYS 29 HD2 LYS 29 -2.503 -2.234 22.806 236 HD3 LYS 29 HD1 LYS 29 -1.347 -0.991 22.324 237 HE2 LYS 29 HE2 LYS 29 -3.202 0.542 21.796 238 HE3 LYS 29 HE1 LYS 29 -4.366 -0.698 22.265 239 HZ1 LYS 29 HZ1 LYS 29 -2.563 0.892 23.942 240 HZ2 LYS 29 HZ2 LYS 29 -2.955 -0.682 24.447 241 HZ3 LYS 29 HZ3 LYS 29 -4.184 0.465 24.201 242 H SER 30 HN SER 30 0.607 -2.421 17.971 243 HA SER 30 HA SER 30 -0.340 0.087 17.096 244 HB2 SER 30 HB2 SER 30 1.768 0.248 15.867 245 HB3 SER 30 HB1 SER 30 2.051 -0.409 17.477 246 HG SER 30 HG SER 30 2.941 -1.482 15.416 247 H GLU 31 HN GLU 31 -0.188 -3.055 15.534 248 HA GLU 31 HA GLU 31 -0.670 -2.186 12.889 249 HB2 GLU 31 HB2 GLU 31 0.107 -4.470 13.392 250 HB3 GLU 31 HB1 GLU 31 -1.452 -4.844 14.121 251 HG2 GLU 31 HG2 GLU 31 -2.583 -4.409 11.990 252 HG3 GLU 31 HG1 GLU 31 -1.047 -3.958 11.253 253 H ALA 32 HN ALA 32 -2.843 -2.934 15.579 254 HA ALA 32 HA ALA 32 -5.269 -2.893 14.127 255 HB1 ALA 32 HB1 ALA 32 -4.815 -2.163 17.036 256 HB2 ALA 32 HB2 ALA 32 -5.124 -3.790 16.421 257 HB3 ALA 32 HB3 ALA 32 -6.367 -2.548 16.292 258 H ALA 33 HN ALA 33 -3.150 -0.366 15.117 259 HA ALA 33 HA ALA 33 -4.973 1.771 15.307 260 HB1 ALA 33 HB1 ALA 33 -3.069 3.258 14.858 261 HB2 ALA 33 HB2 ALA 33 -2.092 1.883 14.351 262 HB3 ALA 33 HB3 ALA 33 -2.632 2.012 16.025 263 H ASP 34 HN ASP 34 -3.518 0.198 12.506 264 HA ASP 34 HA ASP 34 -4.574 2.197 10.666 265 HB2 ASP 34 HB2 ASP 34 -2.423 1.000 10.213 266 HB3 ASP 34 HB1 ASP 34 -3.340 -0.497 10.033 267 H HIS 35 HN HIS 35 -6.780 1.826 11.616 268 HA HIS 35 HA HIS 35 -8.267 0.052 9.858 269 HB2 HIS 35 HB2 HIS 35 -7.633 -1.325 11.899 270 HB3 HIS 35 HB1 HIS 35 -8.639 -0.229 12.845 271 HD2 HIS 35 HD2 HIS 35 -9.055 -3.244 10.440 272 HE1 HIS 35 HE1 HIS 35 -12.926 -1.786 11.286 273 HE2 HIS 35 HE2 HIS 35 -11.620 -3.685 10.222 274 H ASP 36 HN ASP 36 -7.994 2.678 12.063 275 HA ASP 36 HA ASP 36 -10.816 3.354 12.066 276 HB2 ASP 36 HB2 ASP 36 -10.137 5.291 13.354 277 HB3 ASP 36 HB1 ASP 36 -9.322 3.862 13.986 278 H LYS 37 HN LYS 37 -8.498 3.514 9.744 279 HA LYS 37 HA LYS 37 -8.689 6.147 8.738 280 HB2 LYS 37 HB2 LYS 37 -7.760 5.236 6.678 281 HB3 LYS 37 HB1 LYS 37 -6.926 4.551 8.071 282 HG2 LYS 37 HG2 LYS 37 -8.360 2.533 7.921 283 HG3 LYS 37 HG1 LYS 37 -9.152 3.211 6.499 284 HD2 LYS 37 HD2 LYS 37 -6.988 3.275 5.318 285 HD3 LYS 37 HD1 LYS 37 -6.195 2.591 6.736 286 HE2 LYS 37 HE2 LYS 37 -7.605 0.576 6.559 287 HE3 LYS 37 HE1 LYS 37 -8.404 1.257 5.144 288 HZ1 LYS 37 HZ1 LYS 37 -6.383 1.215 3.934 289 HZ2 LYS 37 HZ2 LYS 37 -6.563 -0.318 4.645 290 HZ3 LYS 37 HZ3 LYS 37 -5.479 0.807 5.310 291 H LYS 38 HN LYS 38 -10.839 3.438 8.521 292 HA LYS 38 HA LYS 38 -12.259 4.074 6.194 293 HB2 LYS 38 HB2 LYS 38 -14.066 2.719 7.120 294 HB3 LYS 38 HB1 LYS 38 -12.512 1.943 7.421 295 HG2 LYS 38 HG2 LYS 38 -12.498 2.893 9.713 296 HG3 LYS 38 HG1 LYS 38 -14.074 3.623 9.411 297 HD2 LYS 38 HD2 LYS 38 -15.038 1.388 9.009 298 HD3 LYS 38 HD1 LYS 38 -13.463 0.655 9.317 299 HE2 LYS 38 HE2 LYS 38 -13.473 1.578 11.603 300 HE3 LYS 38 HE1 LYS 38 -15.045 2.319 11.300 301 HZ1 LYS 38 HZ1 LYS 38 -14.430 -0.363 12.014 302 HZ2 LYS 38 HZ2 LYS 38 -15.327 -0.315 10.572 303 HZ3 LYS 38 HZ3 LYS 38 -15.934 0.420 11.981 304 H GLU 39 HN GLU 39 -12.118 5.722 9.188 305 HA GLU 39 HA GLU 39 -14.682 6.864 9.329 306 HB2 GLU 39 HB2 GLU 39 -13.697 8.554 10.750 307 HB3 GLU 39 HB1 GLU 39 -12.937 7.009 11.124 308 HG2 GLU 39 HG2 GLU 39 -11.081 7.640 9.524 309 HG3 GLU 39 HG1 GLU 39 -11.802 9.244 9.420 310 H ALA 40 HN ALA 40 -12.077 7.417 7.154 311 HA ALA 40 HA ALA 40 -12.624 10.079 6.380 312 HB1 ALA 40 HB1 ALA 40 -11.454 7.832 4.705 313 HB2 ALA 40 HB2 ALA 40 -10.544 8.967 5.705 314 HB3 ALA 40 HB3 ALA 40 -11.421 9.544 4.291 315 H GLU 41 HN GLU 41 -14.208 7.069 5.653 316 HA GLU 41 HA GLU 41 -15.555 7.841 3.295 317 HB2 GLU 41 HB2 GLU 41 -16.276 5.800 5.415 318 HB3 GLU 41 HB1 GLU 41 -17.209 6.041 3.939 319 HG2 GLU 41 HG2 GLU 41 -15.291 5.506 2.563 320 HG3 GLU 41 HG1 GLU 41 -14.242 5.442 3.979 321 H ARG 42 HN ARG 42 -16.307 8.343 6.716 322 HA ARG 42 HA ARG 42 -18.960 9.233 6.368 323 HB2 ARG 42 HB2 ARG 42 -16.938 9.838 8.543 324 HB3 ARG 42 HB1 ARG 42 -18.612 10.388 8.585 325 HG2 ARG 42 HG2 ARG 42 -19.424 8.103 8.497 326 HG3 ARG 42 HG1 ARG 42 -17.784 7.490 8.283 327 HD2 ARG 42 HD2 ARG 42 -18.455 7.240 10.621 328 HD3 ARG 42 HD1 ARG 42 -17.165 8.432 10.494 329 HE ARG 42 HE ARG 42 -19.721 9.692 10.360 330 HH11 ARG 42 HH11 ARG 42 -20.401 10.856 12.189 331 HH12 ARG 42 HH12 ARG 42 -19.643 10.574 13.719 332 HH21 ARG 42 HH21 ARG 42 -17.466 8.168 12.496 333 HH22 ARG 42 HH22 ARG 42 -17.981 9.051 13.893 334 H LYS 43 HN LYS 43 -15.855 10.927 6.162 335 HA LYS 43 HA LYS 43 -16.954 13.552 6.031 336 HB2 LYS 43 HB2 LYS 43 -14.285 12.448 5.118 337 HB3 LYS 43 HB1 LYS 43 -14.709 14.159 5.079 338 HG2 LYS 43 HG2 LYS 43 -15.134 14.120 7.506 339 HG3 LYS 43 HG1 LYS 43 -14.709 12.408 7.554 340 HD2 LYS 43 HD2 LYS 43 -12.443 12.926 6.766 341 HD3 LYS 43 HD1 LYS 43 -12.858 14.636 6.658 342 HE2 LYS 43 HE2 LYS 43 -11.666 14.202 8.754 343 HE3 LYS 43 HE1 LYS 43 -13.336 14.656 9.095 344 HZ1 LYS 43 HZ1 LYS 43 -13.806 12.634 9.892 345 HZ2 LYS 43 HZ2 LYS 43 -12.125 12.471 10.068 346 HZ3 LYS 43 HZ3 LYS 43 -12.906 11.827 8.703 347 H ALA 44 HN ALA 44 -16.592 11.005 3.714 348 HA ALA 44 HA ALA 44 -16.567 12.524 1.332 349 HB1 ALA 44 HB1 ALA 44 -17.352 10.489 0.209 350 HB2 ALA 44 HB2 ALA 44 -17.749 9.764 1.765 351 HB3 ALA 44 HB3 ALA 44 -16.067 10.109 1.353 352 H LEU 45 HN LEU 45 -19.081 11.854 3.592 353 HA LEU 45 HA LEU 45 -21.313 12.255 1.855 354 HB2 LEU 45 HB2 LEU 45 -21.097 12.564 4.862 355 HB3 LEU 45 HB1 LEU 45 -22.601 12.511 3.947 356 HG LEU 45 HG LEU 45 -20.536 10.291 4.005 357 HD11 LEU 45 HD11 LEU 45 -22.401 9.107 5.285 358 HD12 LEU 45 HD12 LEU 45 -23.154 10.691 5.469 359 HD13 LEU 45 HD13 LEU 45 -21.562 10.386 6.163 360 HD21 LEU 45 HD21 LEU 45 -22.698 9.065 3.071 361 HD22 LEU 45 HD22 LEU 45 -21.663 9.978 1.978 362 HD23 LEU 45 HD23 LEU 45 -23.159 10.695 2.575 363 H GLU 46 HN GLU 46 -19.066 14.355 3.382 364 HA GLU 46 HA GLU 46 -20.635 16.681 3.665 365 HB2 GLU 46 HB2 GLU 46 -17.665 16.337 3.195 366 HB3 GLU 46 HB1 GLU 46 -18.427 17.892 3.519 367 HG2 GLU 46 HG2 GLU 46 -19.255 17.108 5.660 368 HG3 GLU 46 HG1 GLU 46 -18.671 15.478 5.331 369 H ASP 47 HN ASP 47 -19.215 15.184 0.854 370 HA ASP 47 HA ASP 47 -19.185 17.465 -0.836 371 HB2 ASP 47 HB2 ASP 47 -19.044 15.845 -2.676 372 HB3 ASP 47 HB1 ASP 47 -17.943 15.415 -1.369 373 H LYS 48 HN LYS 48 -21.748 15.649 0.461 374 HA LYS 48 HA LYS 48 -23.639 16.855 -1.478 375 HB2 LYS 48 HB2 LYS 48 -23.739 14.101 -0.218 376 HB3 LYS 48 HB1 LYS 48 -25.090 14.830 -1.084 377 HG2 LYS 48 HG2 LYS 48 -23.683 15.053 -3.100 378 HG3 LYS 48 HG1 LYS 48 -22.334 14.314 -2.238 379 HD2 LYS 48 HD2 LYS 48 -23.635 12.254 -1.927 380 HD3 LYS 48 HD1 LYS 48 -25.016 12.990 -2.740 381 HE2 LYS 48 HE2 LYS 48 -23.781 11.574 -4.314 382 HE3 LYS 48 HE1 LYS 48 -23.635 13.266 -4.788 383 HZ1 LYS 48 HZ1 LYS 48 -21.543 11.742 -4.644 384 HZ2 LYS 48 HZ2 LYS 48 -21.622 12.122 -2.991 385 HZ3 LYS 48 HZ3 LYS 48 -21.463 13.359 -4.143 386 H LEU 49 HN LEU 49 -25.661 17.653 -0.514 387 HA LEU 49 HA LEU 49 -25.442 18.171 2.362 388 HB2 LEU 49 HB2 LEU 49 -27.420 19.210 0.314 389 HB3 LEU 49 HB1 LEU 49 -27.267 19.763 1.980 390 HG LEU 49 HG LEU 49 -25.079 19.928 -0.115 391 HD11 LEU 49 HD11 LEU 49 -26.786 21.503 -0.694 392 HD12 LEU 49 HD12 LEU 49 -25.540 22.422 0.154 393 HD13 LEU 49 HD13 LEU 49 -27.025 21.965 0.992 394 HD21 LEU 49 HD21 LEU 49 -23.927 19.861 1.924 395 HD22 LEU 49 HD22 LEU 49 -25.243 20.627 2.814 396 HD23 LEU 49 HD23 LEU 49 -24.213 21.590 1.754 397 H ALA 50 HN ALA 50 -26.669 15.765 0.506 398 HA ALA 50 HA ALA 50 -29.290 15.397 1.488 399 HB1 ALA 50 HB1 ALA 50 -28.464 14.130 -0.443 400 HB2 ALA 50 HB2 ALA 50 -29.036 13.037 0.814 401 HB3 ALA 50 HB3 ALA 50 -27.306 13.283 0.586 402 H ASP 51 HN ASP 51 -26.179 14.827 2.934 403 HA ASP 51 HA ASP 51 -27.223 13.103 5.030 404 HB2 ASP 51 HB2 ASP 51 -24.959 13.120 5.892 405 HB3 ASP 51 HB1 ASP 51 -24.908 12.861 4.149 406 H TYR 52 HN TYR 52 -27.576 16.282 4.421 407 HA TYR 52 HA TYR 52 -28.012 18.166 5.705 408 HB2 TYR 52 HB2 TYR 52 -29.836 16.777 6.513 409 HB3 TYR 52 HB1 TYR 52 -28.764 15.982 7.665 410 HD1 TYR 52 HD1 TYR 52 -30.206 19.294 6.729 411 HD2 TYR 52 HD2 TYR 52 -28.343 16.937 9.798 412 HE1 TYR 52 HE1 TYR 52 -30.657 21.088 8.380 413 HE2 TYR 52 HE2 TYR 52 -28.793 18.732 11.449 414 HH TYR 52 HH TYR 52 -29.829 21.867 10.519 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -6.246 7.047 25.426 2 H2 GLY 1 HT2 GLY 1 -4.776 6.416 24.851 3 H3 GLY 1 HT3 GLY 1 -6.250 5.810 24.266 4 HA2 GLY 1 HA2 GLY 1 -6.104 7.234 22.592 5 HA3 GLY 1 HA1 GLY 1 -6.378 8.508 23.781 6 H SER 2 HN SER 2 -4.823 8.986 21.536 7 HA SER 2 HA SER 2 -2.049 8.578 21.896 8 HB2 SER 2 HB2 SER 2 -1.769 10.326 20.216 9 HB3 SER 2 HB1 SER 2 -3.081 9.250 19.747 10 HG SER 2 HG SER 2 -3.120 11.908 20.509 11 H VAL 3 HN VAL 3 -4.286 10.795 23.321 12 HA VAL 3 HA VAL 3 -2.593 12.907 24.043 13 HB VAL 3 HB VAL 3 -5.118 12.810 24.343 14 HG11 VAL 3 HG11 VAL 3 -4.461 11.559 27.018 15 HG12 VAL 3 HG12 VAL 3 -4.949 10.576 25.640 16 HG13 VAL 3 HG13 VAL 3 -6.046 11.797 26.282 17 HG21 VAL 3 HG21 VAL 3 -3.377 13.703 26.660 18 HG22 VAL 3 HG22 VAL 3 -5.040 14.226 26.391 19 HG23 VAL 3 HG23 VAL 3 -3.783 14.653 25.231 20 H GLU 4 HN GLU 4 -2.899 9.693 25.343 21 HA GLU 4 HA GLU 4 -1.668 10.119 27.845 22 HB2 GLU 4 HB2 GLU 4 -2.897 8.045 27.331 23 HB3 GLU 4 HB1 GLU 4 -1.645 7.577 26.183 24 HG2 GLU 4 HG2 GLU 4 0.023 7.553 27.980 25 HG3 GLU 4 HG1 GLU 4 -1.193 8.093 29.136 26 H LYS 5 HN LYS 5 -0.294 9.480 24.635 27 HA LYS 5 HA LYS 5 2.357 9.032 25.487 28 HB2 LYS 5 HB2 LYS 5 1.262 10.053 22.851 29 HB3 LYS 5 HB1 LYS 5 2.972 9.741 23.142 30 HG2 LYS 5 HG2 LYS 5 2.560 7.420 23.600 31 HG3 LYS 5 HG1 LYS 5 0.817 7.675 23.634 32 HD2 LYS 5 HD2 LYS 5 1.332 6.692 21.502 33 HD3 LYS 5 HD1 LYS 5 0.974 8.390 21.206 34 HE2 LYS 5 HE2 LYS 5 3.328 8.927 21.038 35 HE3 LYS 5 HE1 LYS 5 3.782 7.306 21.563 36 HZ1 LYS 5 HZ1 LYS 5 3.966 7.341 19.231 37 HZ2 LYS 5 HZ2 LYS 5 2.461 8.102 19.035 38 HZ3 LYS 5 HZ3 LYS 5 2.538 6.489 19.563 39 H LEU 6 HN LEU 6 0.581 12.016 24.798 40 HA LEU 6 HA LEU 6 2.807 13.755 24.844 41 HB2 LEU 6 HB2 LEU 6 -0.132 14.236 25.382 42 HB3 LEU 6 HB1 LEU 6 1.069 15.522 25.469 43 HG LEU 6 HG LEU 6 1.757 15.040 23.147 44 HD11 LEU 6 HD11 LEU 6 -0.326 12.874 23.437 45 HD12 LEU 6 HD12 LEU 6 1.315 12.753 22.801 46 HD13 LEU 6 HD13 LEU 6 0.059 13.542 21.851 47 HD21 LEU 6 HD21 LEU 6 -1.186 15.548 23.656 48 HD22 LEU 6 HD22 LEU 6 -0.443 15.735 22.066 49 HD23 LEU 6 HD23 LEU 6 0.087 16.745 23.413 50 H THR 7 HN THR 7 0.799 12.417 27.426 51 HA THR 7 HA THR 7 1.996 14.085 29.461 52 HB THR 7 HB THR 7 0.750 12.632 31.037 53 HG1 THR 7 HG1 THR 7 0.915 10.734 29.749 54 HG21 THR 7 HG21 THR 7 -0.534 14.463 30.342 55 HG22 THR 7 HG22 THR 7 -1.573 13.096 29.940 56 HG23 THR 7 HG23 THR 7 -0.637 13.892 28.677 57 H ALA 8 HN ALA 8 3.110 13.130 31.342 58 HA ALA 8 HA ALA 8 5.283 11.415 30.433 59 HB1 ALA 8 HB1 ALA 8 5.658 13.463 31.856 60 HB2 ALA 8 HB2 ALA 8 6.384 11.986 32.485 61 HB3 ALA 8 HB3 ALA 8 4.891 12.597 33.190 62 H ASP 9 HN ASP 9 2.266 10.821 31.657 63 HA ASP 9 HA ASP 9 2.949 8.705 33.511 64 HB2 ASP 9 HB2 ASP 9 0.564 8.318 33.647 65 HB3 ASP 9 HB1 ASP 9 0.863 10.053 33.713 66 H ALA 10 HN ALA 10 3.232 8.932 30.268 67 HA ALA 10 HA ALA 10 2.056 6.540 29.302 68 HB1 ALA 10 HB1 ALA 10 2.831 8.306 27.774 69 HB2 ALA 10 HB2 ALA 10 3.586 6.761 27.389 70 HB3 ALA 10 HB3 ALA 10 4.503 7.996 28.248 71 H GLU 11 HN GLU 11 4.950 7.166 31.129 72 HA GLU 11 HA GLU 11 6.402 4.827 30.483 73 HB2 GLU 11 HB2 GLU 11 7.684 5.285 32.504 74 HB3 GLU 11 HB1 GLU 11 7.385 6.788 31.633 75 HG2 GLU 11 HG2 GLU 11 5.428 7.213 33.132 76 HG3 GLU 11 HG1 GLU 11 5.860 5.772 34.051 77 H LEU 12 HN LEU 12 3.678 5.379 32.572 78 HA LEU 12 HA LEU 12 3.965 3.107 34.237 79 HB2 LEU 12 HB2 LEU 12 1.498 4.675 33.435 80 HB3 LEU 12 HB1 LEU 12 1.461 3.337 34.577 81 HG LEU 12 HG LEU 12 3.247 5.771 34.898 82 HD11 LEU 12 HD11 LEU 12 0.601 5.174 36.251 83 HD12 LEU 12 HD12 LEU 12 0.815 6.339 34.943 84 HD13 LEU 12 HD13 LEU 12 1.611 6.599 36.495 85 HD21 LEU 12 HD21 LEU 12 4.192 4.141 36.278 86 HD22 LEU 12 HD22 LEU 12 2.657 3.318 36.547 87 HD23 LEU 12 HD23 LEU 12 3.006 4.831 37.379 88 H GLN 13 HN GLN 13 2.535 3.547 31.038 89 HA GLN 13 HA GLN 13 1.318 0.987 30.889 90 HB2 GLN 13 HB2 GLN 13 2.213 2.894 28.707 91 HB3 GLN 13 HB1 GLN 13 1.382 1.377 28.388 92 HG2 GLN 13 HG2 GLN 13 0.289 3.585 30.156 93 HG3 GLN 13 HG1 GLN 13 -0.167 3.333 28.475 94 HE21 GLN 13 HE21 GLN 13 -1.486 2.884 31.368 95 HE22 GLN 13 HE22 GLN 13 -2.270 1.394 31.151 96 H ARG 14 HN ARG 14 4.569 2.152 30.169 97 HA ARG 14 HA ARG 14 5.475 -0.163 28.807 98 HB2 ARG 14 HB2 ARG 14 7.048 1.842 30.452 99 HB3 ARG 14 HB1 ARG 14 7.740 0.672 29.334 100 HG2 ARG 14 HG2 ARG 14 5.696 2.730 28.470 101 HG3 ARG 14 HG1 ARG 14 7.428 3.043 28.429 102 HD2 ARG 14 HD2 ARG 14 7.666 0.956 27.002 103 HD3 ARG 14 HD1 ARG 14 5.911 0.919 26.892 104 HE ARG 14 HE ARG 14 5.976 2.779 25.488 105 HH11 ARG 14 HH11 ARG 14 7.103 4.224 24.143 106 HH12 ARG 14 HH12 ARG 14 8.815 4.410 24.321 107 HH21 ARG 14 HH21 ARG 14 9.061 2.119 26.912 108 HH22 ARG 14 HH22 ARG 14 9.924 3.218 25.890 109 H LEU 15 HN LEU 15 4.940 0.535 32.161 110 HA LEU 15 HA LEU 15 6.690 -1.374 33.284 111 HB2 LEU 15 HB2 LEU 15 5.651 0.346 34.681 112 HB3 LEU 15 HB1 LEU 15 4.056 -0.340 34.397 113 HG LEU 15 HG LEU 15 4.778 -2.448 35.486 114 HD11 LEU 15 HD11 LEU 15 7.393 -0.957 35.631 115 HD12 LEU 15 HD12 LEU 15 7.093 -2.635 35.180 116 HD13 LEU 15 HD13 LEU 15 6.996 -2.150 36.869 117 HD21 LEU 15 HD21 LEU 15 4.837 -1.567 37.765 118 HD22 LEU 15 HD22 LEU 15 3.734 -0.595 36.790 119 HD23 LEU 15 HD23 LEU 15 5.346 0.012 37.168 120 H LYS 16 HN LYS 16 3.370 -1.657 32.052 121 HA LYS 16 HA LYS 16 3.056 -4.391 32.874 122 HB2 LYS 16 HB2 LYS 16 1.564 -2.813 30.758 123 HB3 LYS 16 HB1 LYS 16 1.059 -4.354 31.440 124 HG2 LYS 16 HG2 LYS 16 1.477 -1.858 33.106 125 HG3 LYS 16 HG1 LYS 16 -0.083 -2.322 32.434 126 HD2 LYS 16 HD2 LYS 16 0.158 -4.536 33.644 127 HD3 LYS 16 HD1 LYS 16 1.569 -3.860 34.457 128 HE2 LYS 16 HE2 LYS 16 0.204 -2.016 35.339 129 HE3 LYS 16 HE1 LYS 16 -1.217 -2.682 34.534 130 HZ1 LYS 16 HZ1 LYS 16 -0.331 -4.811 35.879 131 HZ2 LYS 16 HZ2 LYS 16 -1.495 -3.729 36.480 132 HZ3 LYS 16 HZ3 LYS 16 0.134 -3.569 36.935 133 H ASN 17 HN ASN 17 4.564 -2.776 30.228 134 HA ASN 17 HA ASN 17 4.772 -5.302 28.687 135 HB2 ASN 17 HB2 ASN 17 5.092 -2.411 27.854 136 HB3 ASN 17 HB1 ASN 17 5.506 -3.778 26.822 137 HD21 ASN 17 HD21 ASN 17 3.397 -1.887 26.185 138 HD22 ASN 17 HD22 ASN 17 1.929 -2.739 26.204 139 H GLU 18 HN GLU 18 6.425 -4.237 31.079 140 HA GLU 18 HA GLU 18 9.005 -3.587 30.171 141 HB2 GLU 18 HB2 GLU 18 9.769 -4.207 32.403 142 HB3 GLU 18 HB1 GLU 18 8.261 -3.302 32.514 143 HG2 GLU 18 HG2 GLU 18 7.016 -5.456 32.680 144 HG3 GLU 18 HG1 GLU 18 8.551 -6.320 32.664 145 H ARG 19 HN ARG 19 7.309 -6.601 30.231 146 HA ARG 19 HA ARG 19 9.617 -8.305 30.179 147 HB2 ARG 19 HB2 ARG 19 6.788 -8.846 29.235 148 HB3 ARG 19 HB1 ARG 19 8.031 -10.062 29.511 149 HG2 ARG 19 HG2 ARG 19 7.092 -8.180 31.686 150 HG3 ARG 19 HG1 ARG 19 6.334 -9.742 31.398 151 HD2 ARG 19 HD2 ARG 19 8.631 -10.788 31.660 152 HD3 ARG 19 HD1 ARG 19 9.207 -9.216 32.204 153 HE ARG 19 HE ARG 19 6.935 -9.897 33.716 154 HH11 ARG 19 HH11 ARG 19 7.225 -10.713 35.816 155 HH12 ARG 19 HH12 ARG 19 8.747 -11.408 36.267 156 HH21 ARG 19 HH21 ARG 19 10.209 -10.876 33.168 157 HH22 ARG 19 HH22 ARG 19 10.436 -11.501 34.768 158 H HIS 20 HN HIS 20 10.749 -9.092 28.477 159 HA HIS 20 HA HIS 20 10.783 -7.625 26.066 160 HB2 HIS 20 HB2 HIS 20 12.794 -8.762 26.817 161 HB3 HIS 20 HB1 HIS 20 12.021 -10.336 26.653 162 HD2 HIS 20 HD2 HIS 20 12.291 -11.433 24.125 163 HE1 HIS 20 HE1 HIS 20 13.455 -7.922 22.090 164 HE2 HIS 20 HE2 HIS 20 13.091 -10.426 21.853 165 H GLU 21 HN GLU 21 9.304 -10.767 26.859 166 HA GLU 21 HA GLU 21 8.527 -11.396 24.212 167 HB2 GLU 21 HB2 GLU 21 8.548 -13.098 25.995 168 HB3 GLU 21 HB1 GLU 21 7.208 -12.285 26.802 169 HG2 GLU 21 HG2 GLU 21 5.781 -12.644 24.839 170 HG3 GLU 21 HG1 GLU 21 7.124 -13.399 23.984 171 H GLU 22 HN GLU 22 6.955 -9.508 26.761 172 HA GLU 22 HA GLU 22 4.458 -9.223 25.449 173 HB2 GLU 22 HB2 GLU 22 5.809 -7.521 27.561 174 HB3 GLU 22 HB1 GLU 22 4.193 -7.191 26.940 175 HG2 GLU 22 HG2 GLU 22 3.385 -9.327 27.682 176 HG3 GLU 22 HG1 GLU 22 5.012 -9.865 28.089 177 H ALA 23 HN ALA 23 7.479 -7.436 25.274 178 HA ALA 23 HA ALA 23 6.527 -5.218 23.810 179 HB1 ALA 23 HB1 ALA 23 8.698 -4.994 24.750 180 HB2 ALA 23 HB2 ALA 23 8.936 -5.022 23.005 181 HB3 ALA 23 HB3 ALA 23 9.287 -6.459 23.962 182 H GLU 24 HN GLU 24 7.578 -8.435 22.770 183 HA GLU 24 HA GLU 24 7.637 -7.864 19.994 184 HB2 GLU 24 HB2 GLU 24 7.270 -10.483 21.472 185 HB3 GLU 24 HB1 GLU 24 7.371 -10.364 19.718 186 HG2 GLU 24 HG2 GLU 24 9.489 -9.251 21.578 187 HG3 GLU 24 HG1 GLU 24 9.567 -10.862 20.871 188 H LEU 25 HN LEU 25 5.039 -8.810 22.185 189 HA LEU 25 HA LEU 25 3.125 -9.152 20.023 190 HB2 LEU 25 HB2 LEU 25 2.732 -9.069 23.026 191 HB3 LEU 25 HB1 LEU 25 1.482 -9.459 21.850 192 HG LEU 25 HG LEU 25 4.073 -11.005 22.190 193 HD11 LEU 25 HD11 LEU 25 2.610 -12.749 23.176 194 HD12 LEU 25 HD12 LEU 25 1.244 -11.639 23.076 195 HD13 LEU 25 HD13 LEU 25 2.606 -11.268 24.134 196 HD21 LEU 25 HD21 LEU 25 1.709 -11.227 20.333 197 HD22 LEU 25 HD22 LEU 25 2.539 -12.697 20.839 198 HD23 LEU 25 HD23 LEU 25 3.425 -11.441 19.985 199 H GLU 26 HN GLU 26 4.379 -6.569 21.841 200 HA GLU 26 HA GLU 26 2.137 -4.879 22.022 201 HB2 GLU 26 HB2 GLU 26 4.214 -4.407 23.250 202 HB3 GLU 26 HB1 GLU 26 5.054 -4.075 21.739 203 HG2 GLU 26 HG2 GLU 26 4.354 -1.980 22.781 204 HG3 GLU 26 HG1 GLU 26 3.456 -2.219 21.286 205 H ARG 27 HN ARG 27 4.405 -5.429 19.349 206 HA ARG 27 HA ARG 27 3.662 -3.264 17.733 207 HB2 ARG 27 HB2 ARG 27 4.595 -4.453 15.876 208 HB3 ARG 27 HB1 ARG 27 5.575 -4.857 17.282 209 HG2 ARG 27 HG2 ARG 27 4.172 -6.953 17.547 210 HG3 ARG 27 HG1 ARG 27 3.412 -6.562 16.008 211 HD2 ARG 27 HD2 ARG 27 5.630 -6.574 14.916 212 HD3 ARG 27 HD1 ARG 27 6.373 -7.012 16.451 213 HE ARG 27 HE ARG 27 4.328 -8.874 15.829 214 HH11 ARG 27 HH11 ARG 27 4.937 -10.905 15.014 215 HH12 ARG 27 HH12 ARG 27 6.508 -11.117 14.317 216 HH21 ARG 27 HH21 ARG 27 7.476 -7.829 14.840 217 HH22 ARG 27 HH22 ARG 27 7.946 -9.376 14.219 218 H LEU 28 HN LEU 28 1.951 -6.165 18.519 219 HA LEU 28 HA LEU 28 0.218 -6.275 16.293 220 HB2 LEU 28 HB2 LEU 28 0.395 -8.170 17.836 221 HB3 LEU 28 HB1 LEU 28 -0.305 -7.213 19.136 222 HG LEU 28 HG LEU 28 -2.394 -6.968 17.828 223 HD11 LEU 28 HD11 LEU 28 -2.527 -8.681 15.830 224 HD12 LEU 28 HD12 LEU 28 -0.774 -8.491 15.792 225 HD13 LEU 28 HD13 LEU 28 -1.820 -7.090 15.558 226 HD21 LEU 28 HD21 LEU 28 -3.132 -9.302 18.051 227 HD22 LEU 28 HD22 LEU 28 -2.096 -8.856 19.408 228 HD23 LEU 28 HD23 LEU 28 -1.453 -9.840 18.093 229 H LYS 29 HN LYS 29 0.042 -4.454 19.331 230 HA LYS 29 HA LYS 29 -2.595 -3.491 18.972 231 HB2 LYS 29 HB2 LYS 29 -0.273 -2.370 20.564 232 HB3 LYS 29 HB1 LYS 29 -1.877 -1.643 20.548 233 HG2 LYS 29 HG2 LYS 29 -2.857 -3.757 21.347 234 HG3 LYS 29 HG1 LYS 29 -1.258 -4.501 21.360 235 HD2 LYS 29 HD2 LYS 29 -0.489 -2.812 22.995 236 HD3 LYS 29 HD1 LYS 29 -2.101 -2.094 23.001 237 HE2 LYS 29 HE2 LYS 29 -1.478 -4.961 23.767 238 HE3 LYS 29 HE1 LYS 29 -1.771 -3.651 24.912 239 HZ1 LYS 29 HZ1 LYS 29 -3.764 -4.982 24.474 240 HZ2 LYS 29 HZ2 LYS 29 -3.691 -4.550 22.832 241 HZ3 LYS 29 HZ3 LYS 29 -3.969 -3.362 24.016 242 H SER 30 HN SER 30 0.541 -2.332 17.820 243 HA SER 30 HA SER 30 -0.320 0.184 16.892 244 HB2 SER 30 HB2 SER 30 1.953 -1.575 15.931 245 HB3 SER 30 HB1 SER 30 1.681 0.078 15.391 246 HG SER 30 HG SER 30 1.783 -0.554 18.134 247 H GLU 31 HN GLU 31 -0.420 -3.029 15.407 248 HA GLU 31 HA GLU 31 -1.096 -2.186 12.799 249 HB2 GLU 31 HB2 GLU 31 -0.375 -4.490 13.283 250 HB3 GLU 31 HB1 GLU 31 -1.876 -4.784 14.157 251 HG2 GLU 31 HG2 GLU 31 -3.172 -4.346 12.123 252 HG3 GLU 31 HG1 GLU 31 -1.690 -3.978 11.242 253 H ALA 32 HN ALA 32 -3.073 -2.797 15.676 254 HA ALA 32 HA ALA 32 -5.603 -2.669 14.414 255 HB1 ALA 32 HB1 ALA 32 -6.512 -2.250 16.653 256 HB2 ALA 32 HB2 ALA 32 -4.892 -1.934 17.270 257 HB3 ALA 32 HB3 ALA 32 -5.321 -3.549 16.700 258 H ALA 33 HN ALA 33 -3.314 -0.218 15.237 259 HA ALA 33 HA ALA 33 -5.035 1.993 15.517 260 HB1 ALA 33 HB1 ALA 33 -2.644 2.132 16.087 261 HB2 ALA 33 HB2 ALA 33 -3.104 3.396 14.951 262 HB3 ALA 33 HB3 ALA 33 -2.219 1.987 14.382 263 H ASP 34 HN ASP 34 -3.846 0.326 12.657 264 HA ASP 34 HA ASP 34 -4.577 2.318 10.767 265 HB2 ASP 34 HB2 ASP 34 -3.062 0.399 10.243 266 HB3 ASP 34 HB1 ASP 34 -4.457 -0.679 10.324 267 H HIS 35 HN HIS 35 -6.422 2.761 9.754 268 HA HIS 35 HA HIS 35 -8.675 2.799 9.247 269 HB2 HIS 35 HB2 HIS 35 -8.839 -0.049 10.246 270 HB3 HIS 35 HB1 HIS 35 -9.891 0.761 9.091 271 HD2 HIS 35 HD2 HIS 35 -8.437 1.478 6.584 272 HE1 HIS 35 HE1 HIS 35 -5.659 -1.661 7.094 273 HE2 HIS 35 HE2 HIS 35 -6.586 0.032 5.443 274 H ASP 36 HN ASP 36 -7.370 2.575 12.222 275 HA ASP 36 HA ASP 36 -9.701 2.234 13.851 276 HB2 ASP 36 HB2 ASP 36 -7.338 1.944 14.698 277 HB3 ASP 36 HB1 ASP 36 -7.166 3.698 14.643 278 H LYS 37 HN LYS 37 -8.125 4.941 12.266 279 HA LYS 37 HA LYS 37 -9.571 7.005 13.606 280 HB2 LYS 37 HB2 LYS 37 -8.271 7.023 10.867 281 HB3 LYS 37 HB1 LYS 37 -8.795 8.444 11.764 282 HG2 LYS 37 HG2 LYS 37 -6.754 6.472 12.827 283 HG3 LYS 37 HG1 LYS 37 -6.319 7.927 11.936 284 HD2 LYS 37 HD2 LYS 37 -7.664 9.234 13.674 285 HD3 LYS 37 HD1 LYS 37 -7.705 7.747 14.621 286 HE2 LYS 37 HE2 LYS 37 -5.172 9.082 13.639 287 HE3 LYS 37 HE1 LYS 37 -5.813 9.217 15.276 288 HZ1 LYS 37 HZ1 LYS 37 -4.521 7.432 15.628 289 HZ2 LYS 37 HZ2 LYS 37 -4.473 6.994 13.988 290 HZ3 LYS 37 HZ3 LYS 37 -5.814 6.573 14.941 291 H LYS 38 HN LYS 38 -10.355 4.817 11.048 292 HA LYS 38 HA LYS 38 -12.389 6.345 9.787 293 HB2 LYS 38 HB2 LYS 38 -12.028 3.339 9.980 294 HB3 LYS 38 HB1 LYS 38 -13.196 4.139 8.933 295 HG2 LYS 38 HG2 LYS 38 -10.277 4.891 8.789 296 HG3 LYS 38 HG1 LYS 38 -10.864 3.459 7.949 297 HD2 LYS 38 HD2 LYS 38 -12.572 4.880 6.800 298 HD3 LYS 38 HD1 LYS 38 -11.858 6.300 7.561 299 HE2 LYS 38 HE2 LYS 38 -10.950 6.023 5.304 300 HE3 LYS 38 HE1 LYS 38 -9.683 5.756 6.500 301 HZ1 LYS 38 HZ1 LYS 38 -9.364 3.770 5.611 302 HZ2 LYS 38 HZ2 LYS 38 -10.671 3.979 4.546 303 HZ3 LYS 38 HZ3 LYS 38 -10.927 3.314 6.089 304 H GLU 39 HN GLU 39 -12.263 4.554 12.743 305 HA GLU 39 HA GLU 39 -15.020 4.041 13.083 306 HB2 GLU 39 HB2 GLU 39 -12.799 4.397 15.115 307 HB3 GLU 39 HB1 GLU 39 -14.449 3.949 15.545 308 HG2 GLU 39 HG2 GLU 39 -14.330 1.951 14.183 309 HG3 GLU 39 HG1 GLU 39 -12.751 2.424 13.556 310 H ALA 40 HN ALA 40 -13.050 6.895 13.726 311 HA ALA 40 HA ALA 40 -14.924 8.311 15.293 312 HB1 ALA 40 HB1 ALA 40 -12.809 9.424 13.423 313 HB2 ALA 40 HB2 ALA 40 -12.583 9.032 15.130 314 HB3 ALA 40 HB3 ALA 40 -13.671 10.337 14.661 315 H GLU 41 HN GLU 41 -14.790 7.680 11.879 316 HA GLU 41 HA GLU 41 -16.377 9.852 10.983 317 HB2 GLU 41 HB2 GLU 41 -16.030 7.081 9.804 318 HB3 GLU 41 HB1 GLU 41 -16.807 8.435 8.988 319 HG2 GLU 41 HG2 GLU 41 -13.972 8.518 10.049 320 HG3 GLU 41 HG1 GLU 41 -14.385 8.136 8.379 321 H ARG 42 HN ARG 42 -17.148 6.869 12.592 322 HA ARG 42 HA ARG 42 -19.859 6.647 11.838 323 HB2 ARG 42 HB2 ARG 42 -18.409 5.695 14.324 324 HB3 ARG 42 HB1 ARG 42 -20.097 5.327 13.979 325 HG2 ARG 42 HG2 ARG 42 -19.451 4.280 11.849 326 HG3 ARG 42 HG1 ARG 42 -17.758 4.661 12.170 327 HD2 ARG 42 HD2 ARG 42 -17.840 3.285 14.219 328 HD3 ARG 42 HD1 ARG 42 -19.524 2.895 13.888 329 HE ARG 42 HE ARG 42 -17.194 1.795 12.546 330 HH11 ARG 42 HH11 ARG 42 -17.639 0.134 11.062 331 HH12 ARG 42 HH12 ARG 42 -19.268 -0.142 10.541 332 HH21 ARG 42 HH21 ARG 42 -20.599 2.414 12.470 333 HH22 ARG 42 HH22 ARG 42 -20.943 1.149 11.339 334 H LYS 43 HN LYS 43 -18.258 8.538 14.363 335 HA LYS 43 HA LYS 43 -20.620 9.325 15.734 336 HB2 LYS 43 HB2 LYS 43 -17.889 10.610 15.567 337 HB3 LYS 43 HB1 LYS 43 -19.175 11.174 16.633 338 HG2 LYS 43 HG2 LYS 43 -19.288 8.834 17.591 339 HG3 LYS 43 HG1 LYS 43 -17.836 8.456 16.669 340 HD2 LYS 43 HD2 LYS 43 -17.986 10.764 18.623 341 HD3 LYS 43 HD1 LYS 43 -17.444 9.154 19.085 342 HE2 LYS 43 HE2 LYS 43 -15.699 9.299 17.274 343 HE3 LYS 43 HE1 LYS 43 -16.174 10.978 17.022 344 HZ1 LYS 43 HZ1 LYS 43 -15.807 10.598 19.756 345 HZ2 LYS 43 HZ2 LYS 43 -14.887 11.555 18.698 346 HZ3 LYS 43 HZ3 LYS 43 -14.457 9.935 18.972 347 H ALA 44 HN ALA 44 -19.174 10.351 12.773 348 HA ALA 44 HA ALA 44 -20.142 12.995 12.627 349 HB1 ALA 44 HB1 ALA 44 -18.486 12.103 11.026 350 HB2 ALA 44 HB2 ALA 44 -19.874 12.804 10.198 351 HB3 ALA 44 HB3 ALA 44 -19.724 11.054 10.331 352 H LEU 45 HN LEU 45 -21.762 9.954 12.336 353 HA LEU 45 HA LEU 45 -23.987 10.765 10.805 354 HB2 LEU 45 HB2 LEU 45 -23.535 8.391 11.203 355 HB3 LEU 45 HB1 LEU 45 -23.841 8.590 12.925 356 HG LEU 45 HG LEU 45 -26.174 9.264 12.424 357 HD11 LEU 45 HD11 LEU 45 -25.184 8.957 9.593 358 HD12 LEU 45 HD12 LEU 45 -26.180 10.234 10.290 359 HD13 LEU 45 HD13 LEU 45 -26.881 8.653 9.963 360 HD21 LEU 45 HD21 LEU 45 -25.190 6.647 11.258 361 HD22 LEU 45 HD22 LEU 45 -26.898 7.010 11.509 362 HD23 LEU 45 HD23 LEU 45 -25.802 6.934 12.887 363 H GLU 46 HN GLU 46 -23.322 10.972 14.282 364 HA GLU 46 HA GLU 46 -25.911 11.785 15.065 365 HB2 GLU 46 HB2 GLU 46 -24.234 11.022 16.704 366 HB3 GLU 46 HB1 GLU 46 -23.268 12.465 16.402 367 HG2 GLU 46 HG2 GLU 46 -25.117 13.887 17.166 368 HG3 GLU 46 HG1 GLU 46 -26.126 12.463 17.414 369 H ASP 47 HN ASP 47 -23.123 13.615 13.859 370 HA ASP 47 HA ASP 47 -24.128 16.189 14.411 371 HB2 ASP 47 HB2 ASP 47 -22.182 15.220 12.300 372 HB3 ASP 47 HB1 ASP 47 -22.594 16.917 12.524 373 H LYS 48 HN LYS 48 -24.681 13.985 11.696 374 HA LYS 48 HA LYS 48 -25.974 15.833 10.001 375 HB2 LYS 48 HB2 LYS 48 -26.223 12.818 10.202 376 HB3 LYS 48 HB1 LYS 48 -27.026 13.784 8.965 377 HG2 LYS 48 HG2 LYS 48 -24.852 14.669 8.227 378 HG3 LYS 48 HG1 LYS 48 -24.038 13.719 9.471 379 HD2 LYS 48 HD2 LYS 48 -24.896 11.642 8.454 380 HD3 LYS 48 HD1 LYS 48 -25.713 12.589 7.210 381 HE2 LYS 48 HE2 LYS 48 -23.545 13.483 6.455 382 HE3 LYS 48 HE1 LYS 48 -22.721 12.547 7.703 383 HZ1 LYS 48 HZ1 LYS 48 -22.895 11.578 5.347 384 HZ2 LYS 48 HZ2 LYS 48 -24.502 11.220 5.763 385 HZ3 LYS 48 HZ3 LYS 48 -23.220 10.561 6.663 386 H LEU 49 HN LEU 49 -27.168 13.851 12.678 387 HA LEU 49 HA LEU 49 -29.918 14.268 12.213 388 HB2 LEU 49 HB2 LEU 49 -29.156 12.521 13.747 389 HB3 LEU 49 HB1 LEU 49 -28.505 13.729 14.849 390 HG LEU 49 HG LEU 49 -30.782 14.654 15.174 391 HD11 LEU 49 HD11 LEU 49 -32.002 14.217 13.221 392 HD12 LEU 49 HD12 LEU 49 -32.656 13.011 14.325 393 HD13 LEU 49 HD13 LEU 49 -31.448 12.545 13.126 394 HD21 LEU 49 HD21 LEU 49 -30.501 11.664 15.608 395 HD22 LEU 49 HD22 LEU 49 -31.699 12.682 16.407 396 HD23 LEU 49 HD23 LEU 49 -29.981 12.935 16.712 397 H ALA 50 HN ALA 50 -27.513 16.186 13.984 398 HA ALA 50 HA ALA 50 -29.328 18.003 15.152 399 HB1 ALA 50 HB1 ALA 50 -27.333 19.587 15.197 400 HB2 ALA 50 HB2 ALA 50 -26.403 18.309 14.419 401 HB3 ALA 50 HB3 ALA 50 -27.112 18.043 16.012 402 H ASP 51 HN ASP 51 -27.814 17.938 11.948 403 HA ASP 51 HA ASP 51 -28.574 20.536 11.154 404 HB2 ASP 51 HB2 ASP 51 -28.003 18.043 9.530 405 HB3 ASP 51 HB1 ASP 51 -28.373 19.603 8.803 406 H TYR 52 HN TYR 52 -30.314 17.450 11.095 407 HA TYR 52 HA TYR 52 -32.825 18.871 10.826 408 HB2 TYR 52 HB2 TYR 52 -31.927 16.934 8.680 409 HB3 TYR 52 HB1 TYR 52 -33.552 17.604 8.830 410 HD1 TYR 52 HD1 TYR 52 -30.077 18.277 7.884 411 HD2 TYR 52 HD2 TYR 52 -33.962 20.015 8.469 412 HE1 TYR 52 HE1 TYR 52 -29.361 20.300 6.643 413 HE2 TYR 52 HE2 TYR 52 -33.245 22.037 7.226 414 HH TYR 52 HH TYR 52 -31.622 22.996 6.056 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 11.482 -25.875 26.046 2 H2 GLY 1 HT2 GLY 1 10.201 -26.501 26.968 3 H3 GLY 1 HT3 GLY 1 11.384 -25.530 27.704 4 HA2 GLY 1 HA2 GLY 1 10.613 -23.588 26.729 5 HA3 GLY 1 HA1 GLY 1 9.726 -24.486 25.497 6 H SER 2 HN SER 2 7.743 -25.461 26.024 7 HA SER 2 HA SER 2 6.166 -24.087 27.914 8 HB2 SER 2 HB2 SER 2 5.646 -26.668 26.418 9 HB3 SER 2 HB1 SER 2 4.449 -25.854 27.419 10 HG SER 2 HG SER 2 4.491 -24.131 26.060 11 H VAL 3 HN VAL 3 7.860 -27.195 28.079 12 HA VAL 3 HA VAL 3 6.693 -28.162 30.444 13 HB VAL 3 HB VAL 3 8.258 -29.429 28.882 14 HG11 VAL 3 HG11 VAL 3 10.451 -28.266 30.609 15 HG12 VAL 3 HG12 VAL 3 10.041 -27.556 29.051 16 HG13 VAL 3 HG13 VAL 3 10.607 -29.223 29.136 17 HG21 VAL 3 HG21 VAL 3 9.309 -30.686 30.834 18 HG22 VAL 3 HG22 VAL 3 7.561 -30.474 30.921 19 HG23 VAL 3 HG23 VAL 3 8.622 -29.448 31.887 20 H GLU 4 HN GLU 4 9.214 -25.785 29.915 21 HA GLU 4 HA GLU 4 10.212 -25.689 32.559 22 HB2 GLU 4 HB2 GLU 4 10.186 -23.567 30.391 23 HB3 GLU 4 HB1 GLU 4 11.032 -23.401 31.928 24 HG2 GLU 4 HG2 GLU 4 11.478 -25.711 30.025 25 HG3 GLU 4 HG1 GLU 4 12.464 -24.251 30.028 26 H LYS 5 HN LYS 5 7.463 -24.090 31.007 27 HA LYS 5 HA LYS 5 6.923 -22.258 33.102 28 HB2 LYS 5 HB2 LYS 5 5.110 -23.460 30.988 29 HB3 LYS 5 HB1 LYS 5 4.608 -22.198 32.104 30 HG2 LYS 5 HG2 LYS 5 7.118 -21.803 30.490 31 HG3 LYS 5 HG1 LYS 5 5.558 -21.558 29.714 32 HD2 LYS 5 HD2 LYS 5 6.146 -20.227 32.359 33 HD3 LYS 5 HD1 LYS 5 6.743 -19.520 30.862 34 HE2 LYS 5 HE2 LYS 5 4.403 -19.541 29.972 35 HE3 LYS 5 HE1 LYS 5 3.844 -20.114 31.543 36 HZ1 LYS 5 HZ1 LYS 5 5.538 -17.731 31.463 37 HZ2 LYS 5 HZ2 LYS 5 4.282 -18.134 32.534 38 HZ3 LYS 5 HZ3 LYS 5 3.923 -17.574 30.972 39 H LEU 6 HN LEU 6 6.248 -25.646 32.684 40 HA LEU 6 HA LEU 6 4.134 -25.887 34.538 41 HB2 LEU 6 HB2 LEU 6 4.643 -27.698 32.974 42 HB3 LEU 6 HB1 LEU 6 6.203 -27.967 33.745 43 HG LEU 6 HG LEU 6 5.051 -28.549 35.860 44 HD11 LEU 6 HD11 LEU 6 3.009 -27.395 35.886 45 HD12 LEU 6 HD12 LEU 6 2.488 -29.034 35.502 46 HD13 LEU 6 HD13 LEU 6 2.626 -27.830 34.220 47 HD21 LEU 6 HD21 LEU 6 5.603 -30.351 34.330 48 HD22 LEU 6 HD22 LEU 6 4.148 -30.044 33.382 49 HD23 LEU 6 HD23 LEU 6 4.014 -30.678 35.022 50 H THR 7 HN THR 7 7.659 -25.925 34.975 51 HA THR 7 HA THR 7 7.443 -26.538 37.799 52 HB THR 7 HB THR 7 9.880 -26.183 37.827 53 HG1 THR 7 HG1 THR 7 10.916 -25.492 36.018 54 HG21 THR 7 HG21 THR 7 9.301 -27.756 35.327 55 HG22 THR 7 HG22 THR 7 8.692 -28.320 36.883 56 HG23 THR 7 HG23 THR 7 10.427 -28.120 36.633 57 H ALA 8 HN ALA 8 8.403 -25.095 39.437 58 HA ALA 8 HA ALA 8 7.239 -22.462 39.245 59 HB1 ALA 8 HB1 ALA 8 7.273 -23.784 41.374 60 HB2 ALA 8 HB2 ALA 8 7.946 -22.163 41.538 61 HB3 ALA 8 HB3 ALA 8 9.022 -23.556 41.436 62 H ASP 9 HN ASP 9 10.205 -23.810 38.379 63 HA ASP 9 HA ASP 9 12.004 -21.729 38.976 64 HB2 ASP 9 HB2 ASP 9 12.037 -23.814 36.781 65 HB3 ASP 9 HB1 ASP 9 13.344 -22.661 37.034 66 H ALA 10 HN ALA 10 9.740 -22.157 36.297 67 HA ALA 10 HA ALA 10 10.741 -20.116 34.626 68 HB1 ALA 10 HB1 ALA 10 8.476 -20.074 33.618 69 HB2 ALA 10 HB2 ALA 10 7.888 -21.112 34.916 70 HB3 ALA 10 HB3 ALA 10 9.102 -21.712 33.783 71 H GLU 11 HN GLU 11 8.874 -19.993 37.561 72 HA GLU 11 HA GLU 11 7.746 -17.422 37.241 73 HB2 GLU 11 HB2 GLU 11 7.000 -18.952 39.026 74 HB3 GLU 11 HB1 GLU 11 8.554 -18.780 39.838 75 HG2 GLU 11 HG2 GLU 11 8.172 -16.368 40.102 76 HG3 GLU 11 HG1 GLU 11 6.641 -16.506 39.237 77 H LEU 12 HN LEU 12 10.924 -18.478 38.413 78 HA LEU 12 HA LEU 12 11.778 -15.915 39.291 79 HB2 LEU 12 HB2 LEU 12 13.361 -18.357 38.442 80 HB3 LEU 12 HB1 LEU 12 14.106 -16.885 39.050 81 HG LEU 12 HG LEU 12 11.996 -18.450 40.569 82 HD11 LEU 12 HD11 LEU 12 13.833 -19.360 41.895 83 HD12 LEU 12 HD12 LEU 12 15.006 -18.463 40.931 84 HD13 LEU 12 HD13 LEU 12 14.075 -19.769 40.197 85 HD21 LEU 12 HD21 LEU 12 13.682 -16.018 41.146 86 HD22 LEU 12 HD22 LEU 12 13.266 -17.096 42.476 87 HD23 LEU 12 HD23 LEU 12 11.992 -16.325 41.542 88 H GLN 13 HN GLN 13 11.813 -17.537 36.172 89 HA GLN 13 HA GLN 13 13.545 -15.731 34.848 90 HB2 GLN 13 HB2 GLN 13 11.383 -17.562 33.773 91 HB3 GLN 13 HB1 GLN 13 12.409 -16.569 32.742 92 HG2 GLN 13 HG2 GLN 13 14.402 -17.669 33.535 93 HG3 GLN 13 HG1 GLN 13 13.498 -18.531 34.778 94 HE21 GLN 13 HE21 GLN 13 15.092 -19.701 32.531 95 HE22 GLN 13 HE22 GLN 13 13.999 -20.653 31.647 96 H ARG 14 HN ARG 14 10.068 -15.663 35.478 97 HA ARG 14 HA ARG 14 9.417 -13.555 33.728 98 HB2 ARG 14 HB2 ARG 14 7.682 -14.938 34.803 99 HB3 ARG 14 HB1 ARG 14 8.081 -14.239 36.372 100 HG2 ARG 14 HG2 ARG 14 7.476 -12.005 35.552 101 HG3 ARG 14 HG1 ARG 14 7.135 -12.671 33.955 102 HD2 ARG 14 HD2 ARG 14 5.362 -14.082 34.916 103 HD3 ARG 14 HD1 ARG 14 5.711 -13.441 36.519 104 HE ARG 14 HE ARG 14 5.178 -11.276 34.801 105 HH11 ARG 14 HH11 ARG 14 3.122 -10.314 34.839 106 HH12 ARG 14 HH12 ARG 14 1.771 -11.193 35.474 107 HH21 ARG 14 HH21 ARG 14 3.629 -14.022 36.228 108 HH22 ARG 14 HH22 ARG 14 2.058 -13.293 36.261 109 H LEU 15 HN LEU 15 10.706 -13.521 37.040 110 HA LEU 15 HA LEU 15 10.384 -10.748 37.475 111 HB2 LEU 15 HB2 LEU 15 12.368 -12.716 38.653 112 HB3 LEU 15 HB1 LEU 15 12.226 -11.042 39.178 113 HG LEU 15 HG LEU 15 9.915 -13.005 39.155 114 HD11 LEU 15 HD11 LEU 15 11.653 -13.753 40.717 115 HD12 LEU 15 HD12 LEU 15 10.264 -13.130 41.606 116 HD13 LEU 15 HD13 LEU 15 11.717 -12.145 41.439 117 HD21 LEU 15 HD21 LEU 15 10.277 -10.144 40.032 118 HD22 LEU 15 HD22 LEU 15 9.172 -11.169 40.946 119 HD23 LEU 15 HD23 LEU 15 8.903 -10.902 39.227 120 H LYS 16 HN LYS 16 12.949 -12.618 35.903 121 HA LYS 16 HA LYS 16 14.796 -10.487 35.659 122 HB2 LYS 16 HB2 LYS 16 14.454 -13.023 34.032 123 HB3 LYS 16 HB1 LYS 16 15.762 -11.872 33.779 124 HG2 LYS 16 HG2 LYS 16 16.466 -12.137 36.124 125 HG3 LYS 16 HG1 LYS 16 15.156 -13.290 36.387 126 HD2 LYS 16 HD2 LYS 16 16.109 -14.798 34.706 127 HD3 LYS 16 HD1 LYS 16 17.389 -13.635 34.364 128 HE2 LYS 16 HE2 LYS 16 18.221 -15.366 35.887 129 HE3 LYS 16 HE1 LYS 16 18.152 -13.814 36.722 130 HZ1 LYS 16 HZ1 LYS 16 16.562 -14.534 38.096 131 HZ2 LYS 16 HZ2 LYS 16 17.059 -16.091 37.633 132 HZ3 LYS 16 HZ3 LYS 16 15.724 -15.362 36.876 133 H ASN 17 HN ASN 17 12.061 -11.523 33.682 134 HA ASN 17 HA ASN 17 10.980 -10.519 31.902 135 HB2 ASN 17 HB2 ASN 17 11.020 -8.662 33.691 136 HB3 ASN 17 HB1 ASN 17 12.315 -7.944 32.734 137 HD21 ASN 17 HD21 ASN 17 11.077 -6.134 31.953 138 HD22 ASN 17 HD22 ASN 17 9.753 -6.322 30.907 139 H GLU 18 HN GLU 18 13.595 -11.670 31.397 140 HA GLU 18 HA GLU 18 14.829 -9.849 29.443 141 HB2 GLU 18 HB2 GLU 18 15.645 -12.569 30.492 142 HB3 GLU 18 HB1 GLU 18 16.494 -11.727 29.197 143 HG2 GLU 18 HG2 GLU 18 17.017 -9.872 30.638 144 HG3 GLU 18 HG1 GLU 18 15.977 -10.498 31.914 145 H ARG 19 HN ARG 19 12.333 -12.010 29.515 146 HA ARG 19 HA ARG 19 12.707 -13.521 27.152 147 HB2 ARG 19 HB2 ARG 19 10.186 -12.624 28.568 148 HB3 ARG 19 HB1 ARG 19 10.201 -13.734 27.200 149 HG2 ARG 19 HG2 ARG 19 11.589 -15.312 28.423 150 HG3 ARG 19 HG1 ARG 19 11.737 -14.184 29.772 151 HD2 ARG 19 HD2 ARG 19 10.032 -15.855 30.289 152 HD3 ARG 19 HD1 ARG 19 9.274 -14.277 30.087 153 HE ARG 19 HE ARG 19 9.295 -15.706 27.619 154 HH11 ARG 19 HH11 ARG 19 7.327 -16.589 26.908 155 HH12 ARG 19 HH12 ARG 19 6.026 -16.807 28.030 156 HH21 ARG 19 HH21 ARG 19 7.794 -15.543 30.732 157 HH22 ARG 19 HH22 ARG 19 6.291 -16.215 30.196 158 H HIS 20 HN HIS 20 11.300 -10.339 27.746 159 HA HIS 20 HA HIS 20 10.765 -8.588 26.337 160 HB2 HIS 20 HB2 HIS 20 12.476 -10.041 24.307 161 HB3 HIS 20 HB1 HIS 20 12.003 -8.345 24.271 162 HD2 HIS 20 HD2 HIS 20 14.969 -10.340 25.437 163 HE1 HIS 20 HE1 HIS 20 14.958 -6.891 27.870 164 HE2 HIS 20 HE2 HIS 20 16.334 -8.891 27.127 165 H GLU 21 HN GLU 21 9.451 -11.456 26.152 166 HA GLU 21 HA GLU 21 8.334 -11.577 23.537 167 HB2 GLU 21 HB2 GLU 21 7.459 -12.861 26.136 168 HB3 GLU 21 HB1 GLU 21 6.630 -13.119 24.602 169 HG2 GLU 21 HG2 GLU 21 9.601 -13.578 24.958 170 HG3 GLU 21 HG1 GLU 21 8.398 -14.847 25.175 171 H GLU 22 HN GLU 22 7.260 -10.020 26.528 172 HA GLU 22 HA GLU 22 4.650 -9.372 25.647 173 HB2 GLU 22 HB2 GLU 22 6.428 -8.053 27.720 174 HB3 GLU 22 HB1 GLU 22 4.773 -7.543 27.394 175 HG2 GLU 22 HG2 GLU 22 3.921 -9.730 27.971 176 HG3 GLU 22 HG1 GLU 22 5.552 -10.373 28.127 177 H ALA 23 HN ALA 23 7.762 -7.775 25.247 178 HA ALA 23 HA ALA 23 6.796 -5.325 24.233 179 HB1 ALA 23 HB1 ALA 23 9.440 -6.743 23.819 180 HB2 ALA 23 HB2 ALA 23 9.088 -5.356 24.849 181 HB3 ALA 23 HB3 ALA 23 9.075 -5.176 23.098 182 H GLU 24 HN GLU 24 7.440 -8.423 22.639 183 HA GLU 24 HA GLU 24 7.140 -7.475 19.985 184 HB2 GLU 24 HB2 GLU 24 6.804 -10.248 21.159 185 HB3 GLU 24 HB1 GLU 24 6.628 -9.899 19.441 186 HG2 GLU 24 HG2 GLU 24 8.896 -9.087 19.299 187 HG3 GLU 24 HG1 GLU 24 9.094 -9.182 21.047 188 H LEU 25 HN LEU 25 4.822 -8.601 22.396 189 HA LEU 25 HA LEU 25 2.590 -8.811 20.689 190 HB2 LEU 25 HB2 LEU 25 2.560 -9.779 22.940 191 HB3 LEU 25 HB1 LEU 25 2.644 -8.175 23.660 192 HG LEU 25 HG LEU 25 0.475 -7.595 22.612 193 HD11 LEU 25 HD11 LEU 25 -0.814 -9.722 21.741 194 HD12 LEU 25 HD12 LEU 25 0.805 -10.354 21.443 195 HD13 LEU 25 HD13 LEU 25 0.277 -8.867 20.653 196 HD21 LEU 25 HD21 LEU 25 0.551 -10.146 24.248 197 HD22 LEU 25 HD22 LEU 25 -0.912 -9.204 23.964 198 HD23 LEU 25 HD23 LEU 25 0.432 -8.496 24.860 199 H GLU 26 HN GLU 26 4.005 -6.050 22.373 200 HA GLU 26 HA GLU 26 1.892 -4.238 22.029 201 HB2 GLU 26 HB2 GLU 26 3.882 -3.806 23.474 202 HB3 GLU 26 HB1 GLU 26 4.851 -3.548 22.024 203 HG2 GLU 26 HG2 GLU 26 2.296 -2.004 22.500 204 HG3 GLU 26 HG1 GLU 26 3.830 -1.471 23.183 205 H ARG 27 HN ARG 27 4.419 -5.261 19.776 206 HA ARG 27 HA ARG 27 4.024 -3.219 17.866 207 HB2 ARG 27 HB2 ARG 27 5.079 -6.042 17.555 208 HB3 ARG 27 HB1 ARG 27 4.994 -4.893 16.222 209 HG2 ARG 27 HG2 ARG 27 6.403 -3.312 17.465 210 HG3 ARG 27 HG1 ARG 27 6.470 -4.423 18.832 211 HD2 ARG 27 HD2 ARG 27 7.561 -6.115 17.422 212 HD3 ARG 27 HD1 ARG 27 7.470 -5.031 16.037 213 HE ARG 27 HE ARG 27 9.256 -3.814 16.919 214 HH11 ARG 27 HH11 ARG 27 10.960 -3.536 18.396 215 HH12 ARG 27 HH12 ARG 27 10.963 -4.425 19.884 216 HH21 ARG 27 HH21 ARG 27 7.980 -6.063 19.218 217 HH22 ARG 27 HH22 ARG 27 9.276 -5.857 20.348 218 H LEU 28 HN LEU 28 2.353 -6.303 18.384 219 HA LEU 28 HA LEU 28 0.847 -6.241 15.979 220 HB2 LEU 28 HB2 LEU 28 0.384 -7.652 18.614 221 HB3 LEU 28 HB1 LEU 28 -0.756 -7.766 17.280 222 HG LEU 28 HG LEU 28 0.942 -9.630 17.373 223 HD11 LEU 28 HD11 LEU 28 1.045 -9.829 15.068 224 HD12 LEU 28 HD12 LEU 28 1.458 -8.135 14.818 225 HD13 LEU 28 HD13 LEU 28 -0.201 -8.590 15.203 226 HD21 LEU 28 HD21 LEU 28 3.231 -9.225 16.903 227 HD22 LEU 28 HD22 LEU 28 2.795 -8.004 18.096 228 HD23 LEU 28 HD23 LEU 28 2.918 -7.568 16.391 229 H LYS 29 HN LYS 29 0.363 -4.790 19.145 230 HA LYS 29 HA LYS 29 -2.340 -4.068 18.849 231 HB2 LYS 29 HB2 LYS 29 -1.125 -3.947 21.004 232 HB3 LYS 29 HB1 LYS 29 -0.222 -2.556 20.415 233 HG2 LYS 29 HG2 LYS 29 -2.369 -1.343 20.055 234 HG3 LYS 29 HG1 LYS 29 -3.235 -2.721 20.728 235 HD2 LYS 29 HD2 LYS 29 -1.043 -1.349 22.283 236 HD3 LYS 29 HD1 LYS 29 -2.693 -0.737 22.306 237 HE2 LYS 29 HE2 LYS 29 -1.838 -3.539 23.110 238 HE3 LYS 29 HE1 LYS 29 -2.307 -2.247 24.206 239 HZ1 LYS 29 HZ1 LYS 29 -4.442 -2.201 22.802 240 HZ2 LYS 29 HZ2 LYS 29 -4.246 -3.431 23.959 241 HZ3 LYS 29 HZ3 LYS 29 -3.978 -3.757 22.314 242 H SER 30 HN SER 30 0.625 -2.485 17.725 243 HA SER 30 HA SER 30 -0.524 -0.020 16.982 244 HB2 SER 30 HB2 SER 30 1.436 0.250 15.547 245 HB3 SER 30 HB1 SER 30 1.913 -0.412 17.107 246 HG SER 30 HG SER 30 1.540 -1.786 14.650 247 H GLU 31 HN GLU 31 -0.694 -3.165 15.553 248 HA GLU 31 HA GLU 31 -1.279 -2.427 12.887 249 HB2 GLU 31 HB2 GLU 31 -0.716 -4.748 13.517 250 HB3 GLU 31 HB1 GLU 31 -2.256 -4.891 14.361 251 HG2 GLU 31 HG2 GLU 31 -3.468 -4.471 12.272 252 HG3 GLU 31 HG1 GLU 31 -1.942 -4.257 11.416 253 H ALA 32 HN ALA 32 -3.299 -2.719 15.770 254 HA ALA 32 HA ALA 32 -5.821 -2.555 14.521 255 HB1 ALA 32 HB1 ALA 32 -6.674 -1.839 16.711 256 HB2 ALA 32 HB2 ALA 32 -5.027 -1.566 17.276 257 HB3 ALA 32 HB3 ALA 32 -5.567 -3.200 16.883 258 H ALA 33 HN ALA 33 -3.381 -0.181 15.005 259 HA ALA 33 HA ALA 33 -4.945 2.157 15.106 260 HB1 ALA 33 HB1 ALA 33 -2.549 2.250 15.564 261 HB2 ALA 33 HB2 ALA 33 -2.951 3.344 14.244 262 HB3 ALA 33 HB3 ALA 33 -2.181 1.798 13.900 263 H ASP 34 HN ASP 34 -3.986 0.124 12.387 264 HA ASP 34 HA ASP 34 -4.658 1.923 10.320 265 HB2 ASP 34 HB2 ASP 34 -3.375 -0.153 9.909 266 HB3 ASP 34 HB1 ASP 34 -4.820 -1.108 10.233 267 H HIS 35 HN HIS 35 -6.633 -0.319 12.217 268 HA HIS 35 HA HIS 35 -8.975 -0.125 10.653 269 HB2 HIS 35 HB2 HIS 35 -8.638 -1.850 12.426 270 HB3 HIS 35 HB1 HIS 35 -8.856 -0.598 13.649 271 HD2 HIS 35 HD2 HIS 35 -11.008 -2.751 11.227 272 HE1 HIS 35 HE1 HIS 35 -13.622 -0.111 13.233 273 HE2 HIS 35 HE2 HIS 35 -13.499 -2.129 11.696 274 H ASP 36 HN ASP 36 -7.704 1.911 13.256 275 HA ASP 36 HA ASP 36 -10.014 3.488 13.630 276 HB2 ASP 36 HB2 ASP 36 -8.110 3.519 15.210 277 HB3 ASP 36 HB1 ASP 36 -7.124 4.346 14.007 278 H LYS 37 HN LYS 37 -7.367 3.711 11.287 279 HA LYS 37 HA LYS 37 -8.006 6.265 10.275 280 HB2 LYS 37 HB2 LYS 37 -6.610 3.908 8.974 281 HB3 LYS 37 HB1 LYS 37 -6.786 5.485 8.204 282 HG2 LYS 37 HG2 LYS 37 -5.632 6.552 10.099 283 HG3 LYS 37 HG1 LYS 37 -5.459 4.981 10.882 284 HD2 LYS 37 HD2 LYS 37 -4.111 4.166 9.002 285 HD3 LYS 37 HD1 LYS 37 -4.320 5.706 8.166 286 HE2 LYS 37 HE2 LYS 37 -2.147 5.665 9.300 287 HE3 LYS 37 HE1 LYS 37 -3.197 6.862 10.057 288 HZ1 LYS 37 HZ1 LYS 37 -3.556 4.307 11.236 289 HZ2 LYS 37 HZ2 LYS 37 -3.105 5.773 11.967 290 HZ3 LYS 37 HZ3 LYS 37 -1.921 4.758 11.294 291 H LYS 38 HN LYS 38 -9.269 3.047 9.522 292 HA LYS 38 HA LYS 38 -10.688 3.756 7.190 293 HB2 LYS 38 HB2 LYS 38 -10.312 1.403 7.810 294 HB3 LYS 38 HB1 LYS 38 -11.380 1.583 9.200 295 HG2 LYS 38 HG2 LYS 38 -13.256 2.129 7.705 296 HG3 LYS 38 HG1 LYS 38 -12.188 1.999 6.307 297 HD2 LYS 38 HD2 LYS 38 -11.749 -0.368 6.871 298 HD3 LYS 38 HD1 LYS 38 -12.838 -0.235 8.252 299 HE2 LYS 38 HE2 LYS 38 -13.637 0.248 5.367 300 HE3 LYS 38 HE1 LYS 38 -13.957 -1.236 6.263 301 HZ1 LYS 38 HZ1 LYS 38 -15.656 -0.298 7.322 302 HZ2 LYS 38 HZ2 LYS 38 -15.568 0.953 6.175 303 HZ3 LYS 38 HZ3 LYS 38 -14.786 1.114 7.674 304 H GLU 39 HN GLU 39 -11.554 3.980 10.623 305 HA GLU 39 HA GLU 39 -14.274 4.632 10.235 306 HB2 GLU 39 HB2 GLU 39 -13.396 3.969 12.442 307 HB3 GLU 39 HB1 GLU 39 -12.475 5.469 12.539 308 HG2 GLU 39 HG2 GLU 39 -14.549 6.774 12.428 309 HG3 GLU 39 HG1 GLU 39 -15.488 5.292 12.261 310 H ALA 40 HN ALA 40 -11.346 6.628 10.260 311 HA ALA 40 HA ALA 40 -12.635 9.137 10.280 312 HB1 ALA 40 HB1 ALA 40 -9.928 8.305 9.205 313 HB2 ALA 40 HB2 ALA 40 -10.294 9.156 10.703 314 HB3 ALA 40 HB3 ALA 40 -10.507 9.968 9.153 315 H GLU 41 HN GLU 41 -11.887 6.904 7.637 316 HA GLU 41 HA GLU 41 -12.493 8.667 5.515 317 HB2 GLU 41 HB2 GLU 41 -12.586 5.641 5.674 318 HB3 GLU 41 HB1 GLU 41 -12.890 6.547 4.193 319 HG2 GLU 41 HG2 GLU 41 -10.685 7.545 4.281 320 HG3 GLU 41 HG1 GLU 41 -10.377 6.824 5.860 321 H ARG 42 HN ARG 42 -14.527 6.598 7.533 322 HA ARG 42 HA ARG 42 -16.881 6.782 5.992 323 HB2 ARG 42 HB2 ARG 42 -16.648 5.144 7.816 324 HB3 ARG 42 HB1 ARG 42 -16.657 6.446 9.004 325 HG2 ARG 42 HG2 ARG 42 -18.911 7.108 8.298 326 HG3 ARG 42 HG1 ARG 42 -18.900 5.861 7.049 327 HD2 ARG 42 HD2 ARG 42 -18.666 4.125 8.788 328 HD3 ARG 42 HD1 ARG 42 -18.680 5.369 10.034 329 HE ARG 42 HE ARG 42 -20.969 4.388 8.532 330 HH11 ARG 42 HH11 ARG 42 -22.978 5.198 9.213 331 HH12 ARG 42 HH12 ARG 42 -23.040 6.556 10.284 332 HH21 ARG 42 HH21 ARG 42 -19.595 6.898 10.480 333 HH22 ARG 42 HH22 ARG 42 -21.125 7.519 11.003 334 H LYS 43 HN LYS 43 -15.510 8.929 8.456 335 HA LYS 43 HA LYS 43 -17.780 10.628 8.684 336 HB2 LYS 43 HB2 LYS 43 -14.851 11.114 9.285 337 HB3 LYS 43 HB1 LYS 43 -16.142 12.253 9.668 338 HG2 LYS 43 HG2 LYS 43 -17.260 10.545 11.045 339 HG3 LYS 43 HG1 LYS 43 -15.978 9.395 10.665 340 HD2 LYS 43 HD2 LYS 43 -14.318 10.888 11.714 341 HD3 LYS 43 HD1 LYS 43 -15.598 12.041 12.098 342 HE2 LYS 43 HE2 LYS 43 -16.725 10.339 13.480 343 HE3 LYS 43 HE1 LYS 43 -15.454 9.179 13.095 344 HZ1 LYS 43 HZ1 LYS 43 -15.465 11.240 15.044 345 HZ2 LYS 43 HZ2 LYS 43 -14.159 11.444 13.977 346 HZ3 LYS 43 HZ3 LYS 43 -14.349 9.983 14.822 347 H ALA 44 HN ALA 44 -15.251 10.367 6.335 348 HA ALA 44 HA ALA 44 -15.248 13.002 5.329 349 HB1 ALA 44 HB1 ALA 44 -13.535 11.347 4.684 350 HB2 ALA 44 HB2 ALA 44 -14.306 12.063 3.271 351 HB3 ALA 44 HB3 ALA 44 -14.752 10.438 3.784 352 H LEU 45 HN LEU 45 -17.535 10.412 4.968 353 HA LEU 45 HA LEU 45 -18.835 11.426 2.623 354 HB2 LEU 45 HB2 LEU 45 -19.855 9.542 4.766 355 HB3 LEU 45 HB1 LEU 45 -20.630 9.836 3.211 356 HG LEU 45 HG LEU 45 -17.822 8.742 3.570 357 HD11 LEU 45 HD11 LEU 45 -19.669 7.203 4.294 358 HD12 LEU 45 HD12 LEU 45 -18.752 6.599 2.916 359 HD13 LEU 45 HD13 LEU 45 -20.342 7.318 2.669 360 HD21 LEU 45 HD21 LEU 45 -17.786 9.738 1.452 361 HD22 LEU 45 HD22 LEU 45 -19.508 9.477 1.181 362 HD23 LEU 45 HD23 LEU 45 -18.379 8.130 1.048 363 H GLU 46 HN GLU 46 -18.849 12.284 5.930 364 HA GLU 46 HA GLU 46 -21.472 13.269 6.211 365 HB2 GLU 46 HB2 GLU 46 -20.001 12.940 8.150 366 HB3 GLU 46 HB1 GLU 46 -18.944 14.236 7.595 367 HG2 GLU 46 HG2 GLU 46 -20.461 15.077 9.311 368 HG3 GLU 46 HG1 GLU 46 -20.848 15.828 7.769 369 H ASP 47 HN ASP 47 -18.545 14.782 4.874 370 HA ASP 47 HA ASP 47 -19.695 17.385 4.635 371 HB2 ASP 47 HB2 ASP 47 -17.773 17.884 3.219 372 HB3 ASP 47 HB1 ASP 47 -17.253 16.981 4.641 373 H LYS 48 HN LYS 48 -20.172 14.483 2.947 374 HA LYS 48 HA LYS 48 -21.300 13.943 0.992 375 HB2 LYS 48 HB2 LYS 48 -22.485 16.684 1.505 376 HB3 LYS 48 HB1 LYS 48 -23.116 15.509 0.352 377 HG2 LYS 48 HG2 LYS 48 -23.440 13.883 2.183 378 HG3 LYS 48 HG1 LYS 48 -22.818 15.064 3.337 379 HD2 LYS 48 HD2 LYS 48 -24.652 16.604 2.770 380 HD3 LYS 48 HD1 LYS 48 -25.269 15.447 1.591 381 HE2 LYS 48 HE2 LYS 48 -26.525 15.247 3.686 382 HE3 LYS 48 HE1 LYS 48 -25.575 13.786 3.414 383 HZ1 LYS 48 HZ1 LYS 48 -25.542 15.226 5.678 384 HZ2 LYS 48 HZ2 LYS 48 -24.191 15.859 4.866 385 HZ3 LYS 48 HZ3 LYS 48 -24.294 14.193 5.181 386 H LEU 49 HN LEU 49 -18.681 15.097 0.689 387 HA LEU 49 HA LEU 49 -18.631 17.128 -1.271 388 HB2 LEU 49 HB2 LEU 49 -16.626 16.582 0.019 389 HB3 LEU 49 HB1 LEU 49 -16.550 14.984 -0.714 390 HG LEU 49 HG LEU 49 -16.255 16.028 -2.943 391 HD11 LEU 49 HD11 LEU 49 -15.600 18.574 -2.774 392 HD12 LEU 49 HD12 LEU 49 -16.597 18.545 -1.318 393 HD13 LEU 49 HD13 LEU 49 -17.299 18.125 -2.881 394 HD21 LEU 49 HD21 LEU 49 -13.970 16.700 -2.609 395 HD22 LEU 49 HD22 LEU 49 -14.323 15.476 -1.391 396 HD23 LEU 49 HD23 LEU 49 -14.293 17.181 -0.943 397 H ALA 50 HN ALA 50 -18.822 13.597 -1.541 398 HA ALA 50 HA ALA 50 -18.450 13.448 -4.337 399 HB1 ALA 50 HB1 ALA 50 -20.034 11.589 -2.533 400 HB2 ALA 50 HB2 ALA 50 -18.326 11.437 -2.948 401 HB3 ALA 50 HB3 ALA 50 -19.556 11.241 -4.192 402 H ASP 51 HN ASP 51 -21.215 14.317 -2.387 403 HA ASP 51 HA ASP 51 -23.235 13.915 -4.313 404 HB2 ASP 51 HB2 ASP 51 -23.744 14.350 -1.935 405 HB3 ASP 51 HB1 ASP 51 -23.186 16.011 -2.116 406 H TYR 52 HN TYR 52 -21.022 16.635 -3.773 407 HA TYR 52 HA TYR 52 -21.302 17.513 -6.469 408 HB2 TYR 52 HB2 TYR 52 -23.424 18.411 -5.687 409 HB3 TYR 52 HB1 TYR 52 -22.622 19.197 -4.326 410 HD1 TYR 52 HD1 TYR 52 -22.757 19.091 -8.054 411 HD2 TYR 52 HD2 TYR 52 -21.606 21.329 -4.572 412 HE1 TYR 52 HE1 TYR 52 -22.271 21.060 -9.481 413 HE2 TYR 52 HE2 TYR 52 -21.121 23.299 -6.001 414 HH TYR 52 HH TYR 52 -22.084 23.464 -9.292 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 22.404 -35.124 46.240 2 H2 GLY 1 HT2 GLY 1 22.391 -36.589 45.379 3 H3 GLY 1 HT3 GLY 1 21.115 -35.482 45.198 4 HA2 GLY 1 HA2 GLY 1 23.633 -34.274 44.617 5 HA3 GLY 1 HA1 GLY 1 23.323 -35.682 43.598 6 H SER 2 HN SER 2 21.947 -32.615 44.712 7 HA SER 2 HA SER 2 19.703 -32.575 42.996 8 HB2 SER 2 HB2 SER 2 19.624 -30.180 43.494 9 HB3 SER 2 HB1 SER 2 19.964 -31.095 44.959 10 HG SER 2 HG SER 2 21.556 -29.689 45.042 11 H VAL 3 HN VAL 3 23.039 -31.538 42.595 12 HA VAL 3 HA VAL 3 24.121 -30.498 40.798 13 HB VAL 3 HB VAL 3 24.072 -31.939 38.786 14 HG11 VAL 3 HG11 VAL 3 24.067 -33.670 41.262 15 HG12 VAL 3 HG12 VAL 3 25.340 -32.492 40.951 16 HG13 VAL 3 HG13 VAL 3 25.076 -33.822 39.825 17 HG21 VAL 3 HG21 VAL 3 21.589 -32.461 38.969 18 HG22 VAL 3 HG22 VAL 3 21.998 -33.578 40.270 19 HG23 VAL 3 HG23 VAL 3 22.620 -33.852 38.645 20 H GLU 4 HN GLU 4 21.357 -29.452 41.293 21 HA GLU 4 HA GLU 4 20.059 -28.994 38.824 22 HB2 GLU 4 HB2 GLU 4 19.993 -27.436 41.421 23 HB3 GLU 4 HB1 GLU 4 19.017 -27.013 40.015 24 HG2 GLU 4 HG2 GLU 4 17.907 -29.149 40.051 25 HG3 GLU 4 HG1 GLU 4 19.005 -29.759 41.285 26 H LYS 5 HN LYS 5 22.677 -27.271 40.463 27 HA LYS 5 HA LYS 5 22.666 -25.018 38.708 28 HB2 LYS 5 HB2 LYS 5 24.808 -26.123 40.540 29 HB3 LYS 5 HB1 LYS 5 24.952 -24.607 39.652 30 HG2 LYS 5 HG2 LYS 5 22.920 -23.755 40.756 31 HG3 LYS 5 HG1 LYS 5 22.766 -25.269 41.647 32 HD2 LYS 5 HD2 LYS 5 24.975 -24.877 42.688 33 HD3 LYS 5 HD1 LYS 5 25.106 -23.349 41.817 34 HE2 LYS 5 HE2 LYS 5 22.898 -24.041 43.776 35 HE3 LYS 5 HE1 LYS 5 24.293 -23.026 44.143 36 HZ1 LYS 5 HZ1 LYS 5 22.095 -22.494 42.238 37 HZ2 LYS 5 HZ2 LYS 5 23.565 -21.647 42.173 38 HZ3 LYS 5 HZ3 LYS 5 22.588 -21.555 43.560 39 H LEU 6 HN LEU 6 23.847 -28.234 38.426 40 HA LEU 6 HA LEU 6 25.733 -27.541 36.276 41 HB2 LEU 6 HB2 LEU 6 25.104 -30.160 37.655 42 HB3 LEU 6 HB1 LEU 6 26.177 -30.035 36.268 43 HG LEU 6 HG LEU 6 26.581 -28.456 38.835 44 HD11 LEU 6 HD11 LEU 6 26.808 -30.761 39.428 45 HD12 LEU 6 HD12 LEU 6 28.444 -30.146 39.198 46 HD13 LEU 6 HD13 LEU 6 27.685 -31.126 37.943 47 HD21 LEU 6 HD21 LEU 6 27.831 -27.346 37.192 48 HD22 LEU 6 HD22 LEU 6 28.135 -28.819 36.274 49 HD23 LEU 6 HD23 LEU 6 29.005 -28.519 37.777 50 H THR 7 HN THR 7 22.489 -27.929 36.433 51 HA THR 7 HA THR 7 22.343 -28.605 33.596 52 HB THR 7 HB THR 7 22.193 -30.798 34.836 53 HG1 THR 7 HG1 THR 7 21.251 -30.597 32.822 54 HG21 THR 7 HG21 THR 7 19.491 -29.763 35.721 55 HG22 THR 7 HG22 THR 7 20.899 -29.781 36.780 56 HG23 THR 7 HG23 THR 7 20.252 -31.293 36.149 57 H ALA 8 HN ALA 8 20.240 -28.165 32.666 58 HA ALA 8 HA ALA 8 18.432 -26.746 32.337 59 HB1 ALA 8 HB1 ALA 8 18.001 -27.041 35.316 60 HB2 ALA 8 HB2 ALA 8 17.549 -28.281 34.148 61 HB3 ALA 8 HB3 ALA 8 16.793 -26.690 34.079 62 H ASP 9 HN ASP 9 21.056 -25.603 33.015 63 HA ASP 9 HA ASP 9 20.624 -23.346 34.747 64 HB2 ASP 9 HB2 ASP 9 22.827 -24.009 32.778 65 HB3 ASP 9 HB1 ASP 9 22.817 -22.558 33.773 66 H ALA 10 HN ALA 10 19.681 -24.063 31.610 67 HA ALA 10 HA ALA 10 19.985 -21.601 30.276 68 HB1 ALA 10 HB1 ALA 10 18.153 -22.362 28.802 69 HB2 ALA 10 HB2 ALA 10 17.816 -23.690 29.912 70 HB3 ALA 10 HB3 ALA 10 19.359 -23.622 29.056 71 H GLU 11 HN GLU 11 17.706 -22.607 32.733 72 HA GLU 11 HA GLU 11 15.677 -20.702 32.243 73 HB2 GLU 11 HB2 GLU 11 14.939 -21.143 34.511 74 HB3 GLU 11 HB1 GLU 11 15.428 -22.661 33.759 75 HG2 GLU 11 HG2 GLU 11 17.681 -22.398 34.843 76 HG3 GLU 11 HG1 GLU 11 17.055 -20.990 35.699 77 H LEU 12 HN LEU 12 18.805 -20.437 33.733 78 HA LEU 12 HA LEU 12 18.362 -18.049 35.194 79 HB2 LEU 12 HB2 LEU 12 20.910 -19.234 34.056 80 HB3 LEU 12 HB1 LEU 12 20.878 -17.770 35.030 81 HG LEU 12 HG LEU 12 19.724 -20.423 35.951 82 HD11 LEU 12 HD11 LEU 12 21.770 -20.678 37.273 83 HD12 LEU 12 HD12 LEU 12 22.405 -19.170 36.612 84 HD13 LEU 12 HD13 LEU 12 22.171 -20.566 35.559 85 HD21 LEU 12 HD21 LEU 12 20.103 -17.705 37.201 86 HD22 LEU 12 HD22 LEU 12 20.216 -19.134 38.226 87 HD23 LEU 12 HD23 LEU 12 18.737 -18.812 37.329 88 H GLN 13 HN GLN 13 19.205 -18.666 31.829 89 HA GLN 13 HA GLN 13 19.856 -15.980 31.164 90 HB2 GLN 13 HB2 GLN 13 18.953 -18.304 29.444 91 HB3 GLN 13 HB1 GLN 13 19.382 -16.725 28.791 92 HG2 GLN 13 HG2 GLN 13 21.626 -16.889 29.659 93 HG3 GLN 13 HG1 GLN 13 21.231 -18.353 30.556 94 HE21 GLN 13 HE21 GLN 13 23.283 -18.032 28.405 95 HE22 GLN 13 HE22 GLN 13 22.851 -19.142 27.194 96 H ARG 14 HN ARG 14 16.828 -17.711 31.451 97 HA ARG 14 HA ARG 14 15.202 -15.967 29.952 98 HB2 ARG 14 HB2 ARG 14 14.381 -18.158 30.696 99 HB3 ARG 14 HB1 ARG 14 14.409 -17.621 32.375 100 HG2 ARG 14 HG2 ARG 14 12.750 -15.906 31.908 101 HG3 ARG 14 HG1 ARG 14 12.799 -16.282 30.184 102 HD2 ARG 14 HD2 ARG 14 10.853 -17.354 31.205 103 HD3 ARG 14 HD1 ARG 14 12.004 -18.581 30.689 104 HE ARG 14 HE ARG 14 12.467 -17.846 33.405 105 HH11 ARG 14 HH11 ARG 14 11.832 -19.329 35.006 106 HH12 ARG 14 HH12 ARG 14 10.702 -20.582 34.618 107 HH21 ARG 14 HH21 ARG 14 10.346 -19.602 31.311 108 HH22 ARG 14 HH22 ARG 14 9.860 -20.736 32.526 109 H LEU 15 HN LEU 15 16.297 -15.795 33.326 110 HA LEU 15 HA LEU 15 14.641 -13.628 34.078 111 HB2 LEU 15 HB2 LEU 15 17.314 -14.550 35.172 112 HB3 LEU 15 HB1 LEU 15 16.359 -13.257 35.888 113 HG LEU 15 HG LEU 15 15.312 -16.062 35.407 114 HD11 LEU 15 HD11 LEU 15 15.623 -16.370 37.851 115 HD12 LEU 15 HD12 LEU 15 16.423 -14.800 37.931 116 HD13 LEU 15 HD13 LEU 15 17.157 -16.116 37.017 117 HD21 LEU 15 HD21 LEU 15 14.199 -13.555 36.653 118 HD22 LEU 15 HD22 LEU 15 13.729 -15.110 37.338 119 HD23 LEU 15 HD23 LEU 15 13.394 -14.760 35.648 120 H LYS 16 HN LYS 16 17.799 -13.769 32.492 121 HA LYS 16 HA LYS 16 18.417 -11.022 32.712 122 HB2 LYS 16 HB2 LYS 16 19.292 -13.099 30.683 123 HB3 LYS 16 HB1 LYS 16 19.908 -11.448 30.717 124 HG2 LYS 16 HG2 LYS 16 20.670 -11.769 33.037 125 HG3 LYS 16 HG1 LYS 16 20.049 -13.421 33.015 126 HD2 LYS 16 HD2 LYS 16 21.583 -13.998 31.189 127 HD3 LYS 16 HD1 LYS 16 22.180 -12.339 31.147 128 HE2 LYS 16 HE2 LYS 16 23.724 -13.742 32.431 129 HE3 LYS 16 HE1 LYS 16 22.943 -12.576 33.500 130 HZ1 LYS 16 HZ1 LYS 16 23.022 -14.924 34.328 131 HZ2 LYS 16 HZ2 LYS 16 21.924 -15.330 33.096 132 HZ3 LYS 16 HZ3 LYS 16 21.478 -14.220 34.304 133 H ASN 17 HN ASN 17 16.472 -12.828 30.369 134 HA ASN 17 HA ASN 17 16.193 -10.708 28.497 135 HB2 ASN 17 HB2 ASN 17 14.456 -13.132 29.034 136 HB3 ASN 17 HB1 ASN 17 14.208 -12.015 27.693 137 HD21 ASN 17 HD21 ASN 17 16.539 -11.569 26.517 138 HD22 ASN 17 HD22 ASN 17 17.374 -12.995 26.129 139 H GLU 18 HN GLU 18 14.649 -11.440 31.523 140 HA GLU 18 HA GLU 18 12.995 -10.354 32.736 141 HB2 GLU 18 HB2 GLU 18 13.938 -8.067 30.989 142 HB3 GLU 18 HB1 GLU 18 12.866 -7.890 32.378 143 HG2 GLU 18 HG2 GLU 18 14.581 -8.866 33.845 144 HG3 GLU 18 HG1 GLU 18 15.653 -9.083 32.461 145 H ARG 19 HN ARG 19 12.119 -11.838 30.442 146 HA ARG 19 HA ARG 19 10.240 -12.136 29.120 147 HB2 ARG 19 HB2 ARG 19 9.115 -10.038 30.995 148 HB3 ARG 19 HB1 ARG 19 8.170 -11.084 29.937 149 HG2 ARG 19 HG2 ARG 19 9.095 -13.072 31.092 150 HG3 ARG 19 HG1 ARG 19 9.995 -12.009 32.176 151 HD2 ARG 19 HD2 ARG 19 7.955 -12.668 33.299 152 HD3 ARG 19 HD1 ARG 19 7.816 -10.969 32.860 153 HE ARG 19 HE ARG 19 6.117 -11.535 31.369 154 HH11 ARG 19 HH11 ARG 19 4.636 -13.006 30.472 155 HH12 ARG 19 HH12 ARG 19 4.895 -14.708 30.656 156 HH21 ARG 19 HH21 ARG 19 7.828 -14.335 32.469 157 HH22 ARG 19 HH22 ARG 19 6.701 -15.461 31.787 158 H HIS 20 HN HIS 20 12.131 -10.474 28.000 159 HA HIS 20 HA HIS 20 11.146 -7.966 27.121 160 HB2 HIS 20 HB2 HIS 20 13.551 -8.696 26.980 161 HB3 HIS 20 HB1 HIS 20 13.101 -9.729 25.622 162 HD2 HIS 20 HD2 HIS 20 13.789 -5.975 26.353 163 HE1 HIS 20 HE1 HIS 20 12.515 -6.258 22.339 164 HE2 HIS 20 HE2 HIS 20 13.509 -4.708 24.087 165 H GLU 21 HN GLU 21 10.538 -11.212 26.071 166 HA GLU 21 HA GLU 21 9.705 -10.776 23.437 167 HB2 GLU 21 HB2 GLU 21 10.053 -13.030 24.396 168 HB3 GLU 21 HB1 GLU 21 8.592 -12.834 25.366 169 HG2 GLU 21 HG2 GLU 21 7.246 -12.591 23.331 170 HG3 GLU 21 HG1 GLU 21 8.698 -12.705 22.338 171 H GLU 22 HN GLU 22 7.970 -10.196 26.457 172 HA GLU 22 HA GLU 22 5.357 -10.078 25.491 173 HB2 GLU 22 HB2 GLU 22 4.800 -8.738 27.386 174 HB3 GLU 22 HB1 GLU 22 6.078 -9.825 27.915 175 HG2 GLU 22 HG2 GLU 22 7.721 -7.940 27.376 176 HG3 GLU 22 HG1 GLU 22 6.319 -6.896 27.189 177 H ALA 23 HN ALA 23 8.010 -8.006 24.813 178 HA ALA 23 HA ALA 23 6.629 -5.617 24.184 179 HB1 ALA 23 HB1 ALA 23 9.207 -6.677 22.981 180 HB2 ALA 23 HB2 ALA 23 9.073 -5.652 24.411 181 HB3 ALA 23 HB3 ALA 23 8.605 -5.027 22.832 182 H GLU 24 HN GLU 24 6.932 -8.639 22.517 183 HA GLU 24 HA GLU 24 6.357 -7.752 19.892 184 HB2 GLU 24 HB2 GLU 24 5.938 -10.442 21.220 185 HB3 GLU 24 HB1 GLU 24 5.565 -10.135 19.526 186 HG2 GLU 24 HG2 GLU 24 7.855 -9.545 19.053 187 HG3 GLU 24 HG1 GLU 24 8.278 -9.594 20.761 188 H LEU 25 HN LEU 25 4.279 -8.555 22.632 189 HA LEU 25 HA LEU 25 1.844 -8.646 21.221 190 HB2 LEU 25 HB2 LEU 25 2.004 -9.476 23.520 191 HB3 LEU 25 HB1 LEU 25 2.317 -7.850 24.116 192 HG LEU 25 HG LEU 25 0.095 -7.126 23.290 193 HD11 LEU 25 HD11 LEU 25 -0.453 -8.487 21.461 194 HD12 LEU 25 HD12 LEU 25 -1.472 -9.167 22.726 195 HD13 LEU 25 HD13 LEU 25 0.035 -9.967 22.286 196 HD21 LEU 25 HD21 LEU 25 -1.250 -8.491 24.911 197 HD22 LEU 25 HD22 LEU 25 0.268 -7.900 25.586 198 HD23 LEU 25 HD23 LEU 25 0.127 -9.580 25.071 199 H GLU 26 HN GLU 26 3.651 -5.920 22.592 200 HA GLU 26 HA GLU 26 1.640 -3.971 22.235 201 HB2 GLU 26 HB2 GLU 26 3.631 -3.553 23.631 202 HB3 GLU 26 HB1 GLU 26 4.650 -3.555 22.193 203 HG2 GLU 26 HG2 GLU 26 3.406 -1.644 21.285 204 HG3 GLU 26 HG1 GLU 26 2.335 -1.661 22.685 205 H ARG 27 HN ARG 27 4.108 -5.243 20.032 206 HA ARG 27 HA ARG 27 3.763 -3.335 17.983 207 HB2 ARG 27 HB2 ARG 27 5.681 -4.879 18.010 208 HB3 ARG 27 HB1 ARG 27 4.607 -6.241 17.695 209 HG2 ARG 27 HG2 ARG 27 3.933 -5.248 15.557 210 HG3 ARG 27 HG1 ARG 27 4.936 -3.833 15.880 211 HD2 ARG 27 HD2 ARG 27 6.940 -5.267 15.934 212 HD3 ARG 27 HD1 ARG 27 5.941 -6.681 15.613 213 HE ARG 27 HE ARG 27 6.737 -4.648 13.694 214 HH11 ARG 27 HH11 ARG 27 6.153 -5.086 11.543 215 HH12 ARG 27 HH12 ARG 27 5.003 -6.336 11.200 216 HH21 ARG 27 HH21 ARG 27 4.540 -7.186 14.531 217 HH22 ARG 27 HH22 ARG 27 4.091 -7.526 12.893 218 H LEU 28 HN LEU 28 2.005 -6.317 18.734 219 HA LEU 28 HA LEU 28 0.517 -6.440 16.343 220 HB2 LEU 28 HB2 LEU 28 0.625 -8.360 17.856 221 HB3 LEU 28 HB1 LEU 28 -0.244 -7.469 19.100 222 HG LEU 28 HG LEU 28 -2.203 -7.284 17.592 223 HD11 LEU 28 HD11 LEU 28 -2.055 -8.950 15.558 224 HD12 LEU 28 HD12 LEU 28 -0.319 -8.682 15.700 225 HD13 LEU 28 HD13 LEU 28 -1.400 -7.323 15.390 226 HD21 LEU 28 HD21 LEU 28 -1.109 -10.084 17.993 227 HD22 LEU 28 HD22 LEU 28 -2.790 -9.713 17.613 228 HD23 LEU 28 HD23 LEU 28 -2.089 -9.167 19.137 229 H LYS 29 HN LYS 29 -0.063 -4.694 19.380 230 HA LYS 29 HA LYS 29 -2.698 -3.872 18.772 231 HB2 LYS 29 HB2 LYS 29 -0.612 -2.665 20.605 232 HB3 LYS 29 HB1 LYS 29 -2.234 -2.002 20.418 233 HG2 LYS 29 HG2 LYS 29 -3.249 -4.036 21.196 234 HG3 LYS 29 HG1 LYS 29 -1.715 -4.898 21.137 235 HD2 LYS 29 HD2 LYS 29 -2.102 -4.350 23.440 236 HD3 LYS 29 HD1 LYS 29 -0.846 -3.255 22.867 237 HE2 LYS 29 HE2 LYS 29 -2.439 -1.450 22.622 238 HE3 LYS 29 HE1 LYS 29 -3.790 -2.535 22.950 239 HZ1 LYS 29 HZ1 LYS 29 -2.060 -1.186 24.770 240 HZ2 LYS 29 HZ2 LYS 29 -2.099 -2.856 25.074 241 HZ3 LYS 29 HZ3 LYS 29 -3.540 -1.958 25.065 242 H SER 30 HN SER 30 0.454 -2.483 17.947 243 HA SER 30 HA SER 30 -0.498 -0.007 16.973 244 HB2 SER 30 HB2 SER 30 1.651 0.161 15.832 245 HB3 SER 30 HB1 SER 30 1.886 -0.468 17.460 246 HG SER 30 HG SER 30 2.357 -2.402 16.659 247 H GLU 31 HN GLU 31 -0.588 -3.206 15.666 248 HA GLU 31 HA GLU 31 -0.738 -2.580 12.916 249 HB2 GLU 31 HB2 GLU 31 -0.376 -4.882 13.709 250 HB3 GLU 31 HB1 GLU 31 -2.018 -4.933 14.342 251 HG2 GLU 31 HG2 GLU 31 -2.920 -4.574 12.087 252 HG3 GLU 31 HG1 GLU 31 -1.283 -4.462 11.441 253 H ALA 32 HN ALA 32 -3.224 -2.712 15.448 254 HA ALA 32 HA ALA 32 -5.474 -2.453 13.763 255 HB1 ALA 32 HB1 ALA 32 -5.053 -1.788 16.682 256 HB2 ALA 32 HB2 ALA 32 -5.955 -3.124 15.968 257 HB3 ALA 32 HB3 ALA 32 -6.585 -1.483 15.864 258 H ALA 33 HN ALA 33 -3.338 -0.003 15.204 259 HA ALA 33 HA ALA 33 -4.956 2.157 14.020 260 HB1 ALA 33 HB1 ALA 33 -2.474 2.476 15.709 261 HB2 ALA 33 HB2 ALA 33 -4.078 2.260 16.411 262 HB3 ALA 33 HB3 ALA 33 -3.742 3.660 15.394 263 H ASP 34 HN ASP 34 -3.143 0.223 12.523 264 HA ASP 34 HA ASP 34 -1.047 1.962 11.482 265 HB2 ASP 34 HB2 ASP 34 -0.608 -0.457 11.764 266 HB3 ASP 34 HB1 ASP 34 -1.878 -0.812 10.592 267 H HIS 35 HN HIS 35 -1.701 3.552 10.185 268 HA HIS 35 HA HIS 35 -2.745 4.661 8.434 269 HB2 HIS 35 HB2 HIS 35 -1.462 2.783 7.241 270 HB3 HIS 35 HB1 HIS 35 -3.009 1.943 7.140 271 HD2 HIS 35 HD2 HIS 35 -1.124 4.808 5.352 272 HE1 HIS 35 HE1 HIS 35 -5.066 4.807 3.842 273 HE2 HIS 35 HE2 HIS 35 -2.733 5.759 3.528 274 H ASP 36 HN ASP 36 -4.362 3.598 10.636 275 HA ASP 36 HA ASP 36 -6.590 3.297 11.209 276 HB2 ASP 36 HB2 ASP 36 -6.866 4.745 8.567 277 HB3 ASP 36 HB1 ASP 36 -8.219 4.411 9.644 278 H LYS 37 HN LYS 37 -5.249 1.110 9.841 279 HA LYS 37 HA LYS 37 -6.860 0.005 7.798 280 HB2 LYS 37 HB2 LYS 37 -4.575 -0.798 8.213 281 HB3 LYS 37 HB1 LYS 37 -5.072 -1.472 9.764 282 HG2 LYS 37 HG2 LYS 37 -6.665 -2.962 8.617 283 HG3 LYS 37 HG1 LYS 37 -6.198 -2.269 7.063 284 HD2 LYS 37 HD2 LYS 37 -3.881 -3.040 7.414 285 HD3 LYS 37 HD1 LYS 37 -4.344 -3.728 8.970 286 HE2 LYS 37 HE2 LYS 37 -5.943 -5.225 7.840 287 HE3 LYS 37 HE1 LYS 37 -5.496 -4.533 6.281 288 HZ1 LYS 37 HZ1 LYS 37 -4.220 -6.465 6.490 289 HZ2 LYS 37 HZ2 LYS 37 -3.832 -6.153 8.115 290 HZ3 LYS 37 HZ3 LYS 37 -3.147 -5.210 6.878 291 H LYS 38 HN LYS 38 -7.047 -0.301 11.336 292 HA LYS 38 HA LYS 38 -9.002 -2.322 11.388 293 HB2 LYS 38 HB2 LYS 38 -7.753 -1.751 13.405 294 HB3 LYS 38 HB1 LYS 38 -8.457 -0.139 13.432 295 HG2 LYS 38 HG2 LYS 38 -9.626 -1.533 15.034 296 HG3 LYS 38 HG1 LYS 38 -10.722 -1.193 13.704 297 HD2 LYS 38 HD2 LYS 38 -10.455 -3.380 12.789 298 HD3 LYS 38 HD1 LYS 38 -9.035 -3.704 13.789 299 HE2 LYS 38 HE2 LYS 38 -11.869 -3.307 14.802 300 HE3 LYS 38 HE1 LYS 38 -11.027 -4.852 14.684 301 HZ1 LYS 38 HZ1 LYS 38 -9.277 -3.804 16.142 302 HZ2 LYS 38 HZ2 LYS 38 -10.764 -4.147 16.889 303 HZ3 LYS 38 HZ3 LYS 38 -10.386 -2.554 16.436 304 H GLU 39 HN GLU 39 -9.291 1.201 11.126 305 HA GLU 39 HA GLU 39 -12.085 1.343 11.477 306 HB2 GLU 39 HB2 GLU 39 -10.173 3.175 10.007 307 HB3 GLU 39 HB1 GLU 39 -11.887 3.525 10.216 308 HG2 GLU 39 HG2 GLU 39 -11.672 3.484 12.622 309 HG3 GLU 39 HG1 GLU 39 -10.005 2.923 12.510 310 H ALA 40 HN ALA 40 -10.111 0.685 8.610 311 HA ALA 40 HA ALA 40 -12.170 0.944 6.699 312 HB1 ALA 40 HB1 ALA 40 -9.971 0.831 5.823 313 HB2 ALA 40 HB2 ALA 40 -10.743 -0.670 5.321 314 HB3 ALA 40 HB3 ALA 40 -9.611 -0.674 6.669 315 H GLU 41 HN GLU 41 -11.229 -1.772 8.771 316 HA GLU 41 HA GLU 41 -12.860 -3.717 7.527 317 HB2 GLU 41 HB2 GLU 41 -11.788 -3.533 10.355 318 HB3 GLU 41 HB1 GLU 41 -12.705 -4.911 9.750 319 HG2 GLU 41 HG2 GLU 41 -11.064 -5.316 8.015 320 HG3 GLU 41 HG1 GLU 41 -10.189 -3.846 8.443 321 H ARG 42 HN ARG 42 -13.535 -1.285 10.002 322 HA ARG 42 HA ARG 42 -16.041 -2.281 10.820 323 HB2 ARG 42 HB2 ARG 42 -14.921 0.534 10.847 324 HB3 ARG 42 HB1 ARG 42 -16.483 0.102 11.540 325 HG2 ARG 42 HG2 ARG 42 -15.394 -1.546 13.006 326 HG3 ARG 42 HG1 ARG 42 -13.826 -1.140 12.305 327 HD2 ARG 42 HD2 ARG 42 -14.068 1.181 13.093 328 HD3 ARG 42 HD1 ARG 42 -15.639 0.789 13.783 329 HE ARG 42 HE ARG 42 -13.730 -0.994 14.841 330 HH11 ARG 42 HH11 ARG 42 -12.921 -0.616 16.930 331 HH12 ARG 42 HH12 ARG 42 -13.032 0.968 17.622 332 HH21 ARG 42 HH21 ARG 42 -14.594 2.357 14.855 333 HH22 ARG 42 HH22 ARG 42 -13.979 2.651 16.448 334 H LYS 43 HN LYS 43 -15.111 -0.213 8.101 335 HA LYS 43 HA LYS 43 -17.737 0.569 7.363 336 HB2 LYS 43 HB2 LYS 43 -15.186 0.377 5.745 337 HB3 LYS 43 HB1 LYS 43 -16.690 1.063 5.135 338 HG2 LYS 43 HG2 LYS 43 -16.698 2.710 6.970 339 HG3 LYS 43 HG1 LYS 43 -15.193 2.029 7.588 340 HD2 LYS 43 HD2 LYS 43 -14.070 2.585 5.456 341 HD3 LYS 43 HD1 LYS 43 -15.572 3.289 4.855 342 HE2 LYS 43 HE2 LYS 43 -14.092 4.219 7.335 343 HE3 LYS 43 HE1 LYS 43 -14.032 5.018 5.764 344 HZ1 LYS 43 HZ1 LYS 43 -16.111 5.036 7.760 345 HZ2 LYS 43 HZ2 LYS 43 -16.677 4.760 6.182 346 HZ3 LYS 43 HZ3 LYS 43 -15.776 6.157 6.530 347 H ALA 44 HN ALA 44 -15.966 -2.368 6.937 348 HA ALA 44 HA ALA 44 -17.230 -3.381 4.627 349 HB1 ALA 44 HB1 ALA 44 -16.188 -4.945 7.010 350 HB2 ALA 44 HB2 ALA 44 -15.238 -4.455 5.605 351 HB3 ALA 44 HB3 ALA 44 -16.559 -5.607 5.419 352 H LEU 45 HN LEU 45 -18.365 -2.976 7.865 353 HA LEU 45 HA LEU 45 -20.433 -4.911 7.867 354 HB2 LEU 45 HB2 LEU 45 -20.163 -2.307 9.396 355 HB3 LEU 45 HB1 LEU 45 -21.449 -3.476 9.668 356 HG LEU 45 HG LEU 45 -18.494 -4.134 9.849 357 HD11 LEU 45 HD11 LEU 45 -18.787 -4.042 12.279 358 HD12 LEU 45 HD12 LEU 45 -20.481 -3.597 12.077 359 HD13 LEU 45 HD13 LEU 45 -19.210 -2.484 11.567 360 HD21 LEU 45 HD21 LEU 45 -19.656 -6.050 11.296 361 HD22 LEU 45 HD22 LEU 45 -19.535 -6.201 9.549 362 HD23 LEU 45 HD23 LEU 45 -21.049 -5.673 10.282 363 H GLU 46 HN GLU 46 -20.217 -1.642 6.591 364 HA GLU 46 HA GLU 46 -22.969 -1.182 6.203 365 HB2 GLU 46 HB2 GLU 46 -21.299 0.623 6.014 366 HB3 GLU 46 HB1 GLU 46 -20.658 -0.108 4.544 367 HG2 GLU 46 HG2 GLU 46 -22.832 0.167 3.437 368 HG3 GLU 46 HG1 GLU 46 -23.513 0.844 4.916 369 H ASP 47 HN ASP 47 -20.584 -2.881 4.191 370 HA ASP 47 HA ASP 47 -22.200 -3.147 1.899 371 HB2 ASP 47 HB2 ASP 47 -19.922 -4.854 2.935 372 HB3 ASP 47 HB1 ASP 47 -20.738 -5.161 1.404 373 H LYS 48 HN LYS 48 -22.010 -5.053 4.874 374 HA LYS 48 HA LYS 48 -23.343 -6.775 5.676 375 HB2 LYS 48 HB2 LYS 48 -25.337 -5.447 3.819 376 HB3 LYS 48 HB1 LYS 48 -25.737 -6.621 5.072 377 HG2 LYS 48 HG2 LYS 48 -24.787 -5.121 6.786 378 HG3 LYS 48 HG1 LYS 48 -24.397 -3.942 5.532 379 HD2 LYS 48 HD2 LYS 48 -26.789 -3.759 4.953 380 HD3 LYS 48 HD1 LYS 48 -27.181 -4.931 6.212 381 HE2 LYS 48 HE2 LYS 48 -26.240 -3.423 7.918 382 HE3 LYS 48 HE1 LYS 48 -25.834 -2.251 6.665 383 HZ1 LYS 48 HZ1 LYS 48 -28.546 -3.178 7.432 384 HZ2 LYS 48 HZ2 LYS 48 -28.223 -2.195 6.085 385 HZ3 LYS 48 HZ3 LYS 48 -27.898 -1.627 7.653 386 H LEU 49 HN LEU 49 -21.642 -7.431 3.455 387 HA LEU 49 HA LEU 49 -23.016 -8.854 1.439 388 HB2 LEU 49 HB2 LEU 49 -20.669 -8.222 1.151 389 HB3 LEU 49 HB1 LEU 49 -20.188 -9.284 2.469 390 HG LEU 49 HG LEU 49 -21.033 -11.237 1.197 391 HD11 LEU 49 HD11 LEU 49 -21.842 -9.068 -0.734 392 HD12 LEU 49 HD12 LEU 49 -22.760 -10.474 -0.192 393 HD13 LEU 49 HD13 LEU 49 -21.442 -10.675 -1.341 394 HD21 LEU 49 HD21 LEU 49 -19.083 -9.417 -0.242 395 HD22 LEU 49 HD22 LEU 49 -19.316 -11.119 -0.642 396 HD23 LEU 49 HD23 LEU 49 -18.695 -10.661 0.945 397 H ALA 50 HN ALA 50 -21.848 -9.846 4.641 398 HA ALA 50 HA ALA 50 -22.302 -12.610 4.329 399 HB1 ALA 50 HB1 ALA 50 -22.497 -12.617 6.868 400 HB2 ALA 50 HB2 ALA 50 -22.243 -10.875 6.811 401 HB3 ALA 50 HB3 ALA 50 -20.999 -11.970 6.209 402 H ASP 51 HN ASP 51 -24.491 -9.979 5.258 403 HA ASP 51 HA ASP 51 -26.634 -11.599 6.112 404 HB2 ASP 51 HB2 ASP 51 -26.593 -8.796 4.965 405 HB3 ASP 51 HB1 ASP 51 -28.063 -9.585 5.532 406 H TYR 52 HN TYR 52 -25.663 -10.504 2.882 407 HA TYR 52 HA TYR 52 -27.148 -12.627 1.657 408 HB2 TYR 52 HB2 TYR 52 -29.019 -11.114 2.021 409 HB3 TYR 52 HB1 TYR 52 -28.124 -9.786 1.279 410 HD1 TYR 52 HD1 TYR 52 -29.551 -13.166 0.610 411 HD2 TYR 52 HD2 TYR 52 -28.098 -9.493 -1.078 412 HE1 TYR 52 HE1 TYR 52 -30.357 -13.875 -1.626 413 HE2 TYR 52 HE2 TYR 52 -28.904 -10.202 -3.314 414 HH TYR 52 HH TYR 52 -29.416 -12.356 -4.484 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 2.705 14.423 28.769 2 H2 GLY 1 HT2 GLY 1 2.152 15.931 29.318 3 H3 GLY 1 HT3 GLY 1 1.141 14.946 28.375 4 HA2 GLY 1 HA2 GLY 1 1.168 13.260 30.156 5 HA3 GLY 1 HA1 GLY 1 2.073 14.410 31.140 6 H SER 2 HN SER 2 -0.706 14.729 28.922 7 HA SER 2 HA SER 2 -1.999 16.717 30.461 8 HB2 SER 2 HB2 SER 2 -3.915 16.327 29.005 9 HB3 SER 2 HB1 SER 2 -2.434 16.329 28.055 10 HG SER 2 HG SER 2 -3.167 14.459 27.411 11 H VAL 3 HN VAL 3 -1.925 13.264 30.696 12 HA VAL 3 HA VAL 3 -3.792 13.394 32.987 13 HB VAL 3 HB VAL 3 -4.773 11.218 32.313 14 HG11 VAL 3 HG11 VAL 3 -5.773 13.478 31.728 15 HG12 VAL 3 HG12 VAL 3 -6.289 12.140 30.702 16 HG13 VAL 3 HG13 VAL 3 -5.078 13.282 30.119 17 HG21 VAL 3 HG21 VAL 3 -2.761 10.650 30.783 18 HG22 VAL 3 HG22 VAL 3 -3.550 11.673 29.580 19 HG23 VAL 3 HG23 VAL 3 -4.369 10.238 30.192 20 H GLU 4 HN GLU 4 -0.798 12.599 31.818 21 HA GLU 4 HA GLU 4 -0.236 10.174 33.154 22 HB2 GLU 4 HB2 GLU 4 1.608 12.426 32.308 23 HB3 GLU 4 HB1 GLU 4 2.164 10.890 32.971 24 HG2 GLU 4 HG2 GLU 4 0.353 11.096 30.557 25 HG3 GLU 4 HG1 GLU 4 2.109 10.993 30.444 26 H LYS 5 HN LYS 5 -0.150 13.542 34.230 27 HA LYS 5 HA LYS 5 1.172 13.047 36.696 28 HB2 LYS 5 HB2 LYS 5 -0.652 15.302 35.818 29 HB3 LYS 5 HB1 LYS 5 0.176 15.251 37.373 30 HG2 LYS 5 HG2 LYS 5 2.335 15.250 36.334 31 HG3 LYS 5 HG1 LYS 5 1.640 14.958 34.742 32 HD2 LYS 5 HD2 LYS 5 2.192 17.281 34.793 33 HD3 LYS 5 HD1 LYS 5 0.445 17.201 34.995 34 HE2 LYS 5 HE2 LYS 5 1.456 18.796 36.583 35 HE3 LYS 5 HE1 LYS 5 0.712 17.453 37.441 36 HZ1 LYS 5 HZ1 LYS 5 3.331 18.309 37.618 37 HZ2 LYS 5 HZ2 LYS 5 3.393 16.838 36.769 38 HZ3 LYS 5 HZ3 LYS 5 2.666 16.907 38.304 39 H LEU 6 HN LEU 6 -2.126 12.684 35.634 40 HA LEU 6 HA LEU 6 -3.075 12.279 38.400 41 HB2 LEU 6 HB2 LEU 6 -4.555 12.502 35.770 42 HB3 LEU 6 HB1 LEU 6 -5.335 12.073 37.285 43 HG LEU 6 HG LEU 6 -3.725 14.622 36.893 44 HD11 LEU 6 HD11 LEU 6 -5.723 14.536 35.415 45 HD12 LEU 6 HD12 LEU 6 -5.870 15.767 36.669 46 HD13 LEU 6 HD13 LEU 6 -6.731 14.236 36.831 47 HD21 LEU 6 HD21 LEU 6 -3.836 14.293 39.210 48 HD22 LEU 6 HD22 LEU 6 -5.388 13.463 39.127 49 HD23 LEU 6 HD23 LEU 6 -5.311 15.212 38.932 50 H THR 7 HN THR 7 -1.617 10.484 36.074 51 HA THR 7 HA THR 7 -3.061 8.000 36.842 52 HB THR 7 HB THR 7 -1.502 8.582 34.312 53 HG1 THR 7 HG1 THR 7 -3.628 9.545 34.558 54 HG21 THR 7 HG21 THR 7 -2.953 6.137 35.337 55 HG22 THR 7 HG22 THR 7 -1.261 6.266 34.861 56 HG23 THR 7 HG23 THR 7 -2.529 6.358 33.639 57 H ALA 8 HN ALA 8 -1.942 6.545 37.956 58 HA ALA 8 HA ALA 8 1.017 6.797 38.086 59 HB1 ALA 8 HB1 ALA 8 -0.347 7.283 40.196 60 HB2 ALA 8 HB2 ALA 8 0.944 6.090 40.344 61 HB3 ALA 8 HB3 ALA 8 -0.733 5.561 40.211 62 H ASP 9 HN ASP 9 -0.696 5.200 36.201 63 HA ASP 9 HA ASP 9 -0.305 2.441 37.010 64 HB2 ASP 9 HB2 ASP 9 -1.310 1.876 34.883 65 HB3 ASP 9 HB1 ASP 9 -2.249 3.169 35.628 66 H ALA 10 HN ALA 10 1.792 4.726 36.041 67 HA ALA 10 HA ALA 10 3.256 3.516 33.949 68 HB1 ALA 10 HB1 ALA 10 3.634 5.858 34.553 69 HB2 ALA 10 HB2 ALA 10 5.140 4.950 34.665 70 HB3 ALA 10 HB3 ALA 10 4.261 5.374 36.131 71 H GLU 11 HN GLU 11 3.137 2.899 37.378 72 HA GLU 11 HA GLU 11 5.590 1.529 37.652 73 HB2 GLU 11 HB2 GLU 11 3.002 1.301 39.212 74 HB3 GLU 11 HB1 GLU 11 4.475 0.430 39.637 75 HG2 GLU 11 HG2 GLU 11 5.695 2.499 39.917 76 HG3 GLU 11 HG1 GLU 11 4.333 3.436 39.303 77 H LEU 12 HN LEU 12 2.399 0.462 36.561 78 HA LEU 12 HA LEU 12 2.967 -2.314 36.573 79 HB2 LEU 12 HB2 LEU 12 0.954 -0.704 34.979 80 HB3 LEU 12 HB1 LEU 12 1.071 -2.458 34.897 81 HG LEU 12 HG LEU 12 0.670 -0.923 37.484 82 HD11 LEU 12 HD11 LEU 12 -1.687 -1.540 37.318 83 HD12 LEU 12 HD12 LEU 12 -1.389 -2.355 35.782 84 HD13 LEU 12 HD13 LEU 12 -1.220 -0.602 35.898 85 HD21 LEU 12 HD21 LEU 12 1.446 -3.028 38.139 86 HD22 LEU 12 HD22 LEU 12 0.783 -3.838 36.722 87 HD23 LEU 12 HD23 LEU 12 -0.282 -3.348 38.037 88 H GLN 13 HN GLN 13 3.539 0.229 34.191 89 HA GLN 13 HA GLN 13 4.226 -1.466 32.038 90 HB2 GLN 13 HB2 GLN 13 3.749 0.946 31.734 91 HB3 GLN 13 HB1 GLN 13 5.257 1.343 32.558 92 HG2 GLN 13 HG2 GLN 13 6.538 0.144 30.853 93 HG3 GLN 13 HG1 GLN 13 5.046 -0.346 30.051 94 HE21 GLN 13 HE21 GLN 13 6.735 1.058 28.439 95 HE22 GLN 13 HE22 GLN 13 6.210 2.660 28.238 96 H ARG 14 HN ARG 14 6.137 -0.192 34.736 97 HA ARG 14 HA ARG 14 8.669 -0.956 33.754 98 HB2 ARG 14 HB2 ARG 14 8.427 0.582 35.664 99 HB3 ARG 14 HB1 ARG 14 7.794 -0.731 36.656 100 HG2 ARG 14 HG2 ARG 14 9.900 -1.969 36.396 101 HG3 ARG 14 HG1 ARG 14 10.530 -0.697 35.347 102 HD2 ARG 14 HD2 ARG 14 10.324 0.925 37.195 103 HD3 ARG 14 HD1 ARG 14 9.700 -0.346 38.243 104 HE ARG 14 HE ARG 14 12.468 0.038 37.441 105 HH11 ARG 14 HH11 ARG 14 13.957 -1.346 38.454 106 HH12 ARG 14 HH12 ARG 14 13.389 -2.733 39.322 107 HH21 ARG 14 HH21 ARG 14 10.043 -2.103 38.672 108 HH22 ARG 14 HH22 ARG 14 11.174 -3.162 39.446 109 H LEU 15 HN LEU 15 6.220 -2.767 35.582 110 HA LEU 15 HA LEU 15 7.833 -5.022 36.126 111 HB2 LEU 15 HB2 LEU 15 4.823 -4.758 35.872 112 HB3 LEU 15 HB1 LEU 15 5.634 -6.233 36.382 113 HG LEU 15 HG LEU 15 6.000 -3.549 37.743 114 HD11 LEU 15 HD11 LEU 15 3.692 -4.232 38.008 115 HD12 LEU 15 HD12 LEU 15 4.535 -4.551 39.523 116 HD13 LEU 15 HD13 LEU 15 4.179 -5.877 38.416 117 HD21 LEU 15 HD21 LEU 15 7.021 -6.341 38.228 118 HD22 LEU 15 HD22 LEU 15 6.684 -5.320 39.624 119 HD23 LEU 15 HD23 LEU 15 7.850 -4.797 38.416 120 H LYS 16 HN LYS 16 5.868 -4.135 33.318 121 HA LYS 16 HA LYS 16 6.134 -6.679 32.023 122 HB2 LYS 16 HB2 LYS 16 5.475 -3.961 30.856 123 HB3 LYS 16 HB1 LYS 16 5.259 -5.508 30.043 124 HG2 LYS 16 HG2 LYS 16 3.912 -4.806 32.666 125 HG3 LYS 16 HG1 LYS 16 3.157 -4.555 31.094 126 HD2 LYS 16 HD2 LYS 16 3.576 -7.039 30.646 127 HD3 LYS 16 HD1 LYS 16 3.967 -7.183 32.360 128 HE2 LYS 16 HE2 LYS 16 1.366 -6.061 31.295 129 HE3 LYS 16 HE1 LYS 16 1.581 -7.708 31.887 130 HZ1 LYS 16 HZ1 LYS 16 2.638 -5.999 33.807 131 HZ2 LYS 16 HZ2 LYS 16 1.236 -6.952 33.922 132 HZ3 LYS 16 HZ3 LYS 16 1.134 -5.352 33.363 133 H ASN 17 HN ASN 17 8.190 -3.995 32.461 134 HA ASN 17 HA ASN 17 9.706 -4.102 30.083 135 HB2 ASN 17 HB2 ASN 17 9.844 -2.258 31.792 136 HB3 ASN 17 HB1 ASN 17 10.791 -3.341 32.811 137 HD21 ASN 17 HD21 ASN 17 12.802 -2.201 32.619 138 HD22 ASN 17 HD22 ASN 17 13.635 -2.067 31.146 139 H GLU 18 HN GLU 18 9.875 -6.004 33.056 140 HA GLU 18 HA GLU 18 12.367 -7.229 32.561 141 HB2 GLU 18 HB2 GLU 18 9.974 -8.173 34.163 142 HB3 GLU 18 HB1 GLU 18 11.500 -9.053 34.086 143 HG2 GLU 18 HG2 GLU 18 12.709 -7.174 35.006 144 HG3 GLU 18 HG1 GLU 18 11.277 -6.150 34.917 145 H ARG 19 HN ARG 19 9.096 -8.015 31.451 146 HA ARG 19 HA ARG 19 10.068 -10.439 30.098 147 HB2 ARG 19 HB2 ARG 19 7.864 -10.438 31.292 148 HB3 ARG 19 HB1 ARG 19 7.280 -9.246 30.130 149 HG2 ARG 19 HG2 ARG 19 7.677 -10.802 28.287 150 HG3 ARG 19 HG1 ARG 19 8.349 -11.985 29.409 151 HD2 ARG 19 HD2 ARG 19 5.525 -10.904 29.559 152 HD3 ARG 19 HD1 ARG 19 5.963 -12.444 28.824 153 HE ARG 19 HE ARG 19 7.018 -12.452 31.407 154 HH11 ARG 19 HH11 ARG 19 5.886 -13.468 33.095 155 HH12 ARG 19 HH12 ARG 19 4.177 -13.709 32.963 156 HH21 ARG 19 HH21 ARG 19 3.946 -12.242 29.829 157 HH22 ARG 19 HH22 ARG 19 3.078 -13.015 31.115 158 H HIS 20 HN HIS 20 11.021 -10.165 28.166 159 HA HIS 20 HA HIS 20 10.504 -7.814 26.552 160 HB2 HIS 20 HB2 HIS 20 12.203 -8.736 25.050 161 HB3 HIS 20 HB1 HIS 20 12.773 -8.749 26.720 162 HD2 HIS 20 HD2 HIS 20 12.084 -11.255 23.852 163 HE1 HIS 20 HE1 HIS 20 12.916 -13.534 27.307 164 HE2 HIS 20 HE2 HIS 20 12.591 -13.639 24.791 165 H GLU 21 HN GLU 21 9.188 -10.957 26.794 166 HA GLU 21 HA GLU 21 8.459 -11.381 24.088 167 HB2 GLU 21 HB2 GLU 21 7.250 -12.436 26.662 168 HB3 GLU 21 HB1 GLU 21 6.683 -12.907 25.064 169 HG2 GLU 21 HG2 GLU 21 8.236 -14.587 25.580 170 HG3 GLU 21 HG1 GLU 21 9.182 -13.487 24.587 171 H GLU 22 HN GLU 22 6.929 -9.576 26.708 172 HA GLU 22 HA GLU 22 4.436 -9.181 25.450 173 HB2 GLU 22 HB2 GLU 22 4.764 -8.702 27.841 174 HB3 GLU 22 HB1 GLU 22 5.843 -7.368 27.446 175 HG2 GLU 22 HG2 GLU 22 3.610 -6.513 27.920 176 HG3 GLU 22 HG1 GLU 22 3.981 -6.261 26.219 177 H ALA 23 HN ALA 23 7.506 -7.420 25.208 178 HA ALA 23 HA ALA 23 6.522 -5.227 23.727 179 HB1 ALA 23 HB1 ALA 23 9.293 -6.449 23.846 180 HB2 ALA 23 HB2 ALA 23 8.708 -4.994 24.651 181 HB3 ALA 23 HB3 ALA 23 8.912 -5.010 22.901 182 H GLU 24 HN GLU 24 7.579 -8.454 22.732 183 HA GLU 24 HA GLU 24 7.618 -7.941 19.947 184 HB2 GLU 24 HB2 GLU 24 7.260 -10.523 21.493 185 HB3 GLU 24 HB1 GLU 24 7.317 -10.453 19.733 186 HG2 GLU 24 HG2 GLU 24 9.535 -9.505 19.770 187 HG3 GLU 24 HG1 GLU 24 9.483 -9.312 21.519 188 H LEU 25 HN LEU 25 5.023 -8.849 22.166 189 HA LEU 25 HA LEU 25 3.099 -9.159 19.997 190 HB2 LEU 25 HB2 LEU 25 2.712 -9.162 23.004 191 HB3 LEU 25 HB1 LEU 25 1.468 -9.539 21.817 192 HG LEU 25 HG LEU 25 4.077 -11.060 22.130 193 HD11 LEU 25 HD11 LEU 25 2.481 -12.872 22.950 194 HD12 LEU 25 HD12 LEU 25 1.259 -11.607 23.085 195 HD13 LEU 25 HD13 LEU 25 2.731 -11.518 24.052 196 HD21 LEU 25 HD21 LEU 25 2.584 -12.736 20.722 197 HD22 LEU 25 HD22 LEU 25 3.447 -11.438 19.907 198 HD23 LEU 25 HD23 LEU 25 1.726 -11.268 20.254 199 H GLU 26 HN GLU 26 4.369 -6.647 21.894 200 HA GLU 26 HA GLU 26 2.133 -4.946 22.133 201 HB2 GLU 26 HB2 GLU 26 4.220 -4.548 23.380 202 HB3 GLU 26 HB1 GLU 26 5.051 -4.137 21.880 203 HG2 GLU 26 HG2 GLU 26 3.511 -2.260 21.516 204 HG3 GLU 26 HG1 GLU 26 2.619 -2.694 22.974 205 H ARG 27 HN ARG 27 4.413 -5.426 19.459 206 HA ARG 27 HA ARG 27 3.698 -3.196 17.916 207 HB2 ARG 27 HB2 ARG 27 4.672 -4.310 16.039 208 HB3 ARG 27 HB1 ARG 27 5.617 -4.782 17.447 209 HG2 ARG 27 HG2 ARG 27 4.234 -6.886 17.585 210 HG3 ARG 27 HG1 ARG 27 3.460 -6.420 16.073 211 HD2 ARG 27 HD2 ARG 27 6.441 -6.803 16.431 212 HD3 ARG 27 HD1 ARG 27 5.353 -7.990 15.720 213 HE ARG 27 HE ARG 27 4.957 -5.644 14.291 214 HH11 ARG 27 HH11 ARG 27 6.074 -5.252 12.353 215 HH12 ARG 27 HH12 ARG 27 7.576 -6.058 12.047 216 HH21 ARG 27 HH21 ARG 27 7.562 -7.792 15.051 217 HH22 ARG 27 HH22 ARG 27 8.417 -7.497 13.574 218 H LEU 28 HN LEU 28 1.950 -6.084 18.615 219 HA LEU 28 HA LEU 28 0.256 -6.155 16.358 220 HB2 LEU 28 HB2 LEU 28 0.377 -8.059 17.896 221 HB3 LEU 28 HB1 LEU 28 -0.334 -7.099 19.188 222 HG LEU 28 HG LEU 28 -2.393 -6.815 17.836 223 HD11 LEU 28 HD11 LEU 28 -2.510 -8.524 15.833 224 HD12 LEU 28 HD12 LEU 28 -0.754 -8.358 15.830 225 HD13 LEU 28 HD13 LEU 28 -1.777 -6.943 15.580 226 HD21 LEU 28 HD21 LEU 28 -2.380 -8.648 19.385 227 HD22 LEU 28 HD22 LEU 28 -1.391 -9.633 18.308 228 HD23 LEU 28 HD23 LEU 28 -3.062 -9.268 17.882 229 H LYS 29 HN LYS 29 0.060 -4.346 19.401 230 HA LYS 29 HA LYS 29 -2.556 -3.351 19.045 231 HB2 LYS 29 HB2 LYS 29 -1.396 -3.190 21.209 232 HB3 LYS 29 HB1 LYS 29 -0.248 -2.041 20.527 233 HG2 LYS 29 HG2 LYS 29 -2.080 -0.470 20.046 234 HG3 LYS 29 HG1 LYS 29 -3.248 -1.629 20.683 235 HD2 LYS 29 HD2 LYS 29 -2.131 -1.539 22.886 236 HD3 LYS 29 HD1 LYS 29 -0.981 -0.362 22.248 237 HE2 LYS 29 HE2 LYS 29 -3.985 0.033 22.340 238 HE3 LYS 29 HE1 LYS 29 -2.843 0.725 23.493 239 HZ1 LYS 29 HZ1 LYS 29 -2.790 1.192 20.560 240 HZ2 LYS 29 HZ2 LYS 29 -1.775 1.914 21.716 241 HZ3 LYS 29 HZ3 LYS 29 -3.436 2.268 21.700 242 H SER 30 HN SER 30 0.581 -2.201 17.862 243 HA SER 30 HA SER 30 -0.306 0.289 16.880 244 HB2 SER 30 HB2 SER 30 2.081 -0.186 17.081 245 HB3 SER 30 HB1 SER 30 1.970 -1.442 15.853 246 HG SER 30 HG SER 30 1.353 1.312 15.516 247 H GLU 31 HN GLU 31 -0.333 -2.946 15.423 248 HA GLU 31 HA GLU 31 -1.102 -2.113 12.832 249 HB2 GLU 31 HB2 GLU 31 -1.455 -4.758 14.260 250 HB3 GLU 31 HB1 GLU 31 -1.985 -4.482 12.599 251 HG2 GLU 31 HG2 GLU 31 0.235 -3.894 11.910 252 HG3 GLU 31 HG1 GLU 31 0.816 -3.930 13.571 253 H ALA 32 HN ALA 32 -2.922 -2.779 15.754 254 HA ALA 32 HA ALA 32 -5.509 -2.908 14.647 255 HB1 ALA 32 HB1 ALA 32 -6.325 -2.264 16.884 256 HB2 ALA 32 HB2 ALA 32 -4.685 -1.829 17.361 257 HB3 ALA 32 HB3 ALA 32 -5.081 -3.509 16.988 258 H ALA 33 HN ALA 33 -3.346 -0.251 15.100 259 HA ALA 33 HA ALA 33 -5.208 1.882 15.179 260 HB1 ALA 33 HB1 ALA 33 -3.346 3.327 14.529 261 HB2 ALA 33 HB2 ALA 33 -2.384 1.921 14.078 262 HB3 ALA 33 HB3 ALA 33 -2.828 2.182 15.765 263 H ASP 34 HN ASP 34 -4.106 -0.112 12.548 264 HA ASP 34 HA ASP 34 -4.844 1.743 10.474 265 HB2 ASP 34 HB2 ASP 34 -4.381 -0.069 8.947 266 HB3 ASP 34 HB1 ASP 34 -3.120 -0.036 10.176 267 H HIS 35 HN HIS 35 -6.706 0.260 12.660 268 HA HIS 35 HA HIS 35 -8.731 -1.021 11.160 269 HB2 HIS 35 HB2 HIS 35 -10.110 -0.815 13.126 270 HB3 HIS 35 HB1 HIS 35 -8.466 -1.153 13.661 271 HD2 HIS 35 HD2 HIS 35 -11.162 1.579 14.084 272 HE1 HIS 35 HE1 HIS 35 -7.596 3.135 15.724 273 HE2 HIS 35 HE2 HIS 35 -10.098 3.500 15.498 274 H ASP 36 HN ASP 36 -7.895 2.288 11.548 275 HA ASP 36 HA ASP 36 -10.400 3.505 11.107 276 HB2 ASP 36 HB2 ASP 36 -7.589 4.463 10.501 277 HB3 ASP 36 HB1 ASP 36 -9.023 5.450 10.232 278 H LYS 37 HN LYS 37 -8.012 2.165 8.871 279 HA LYS 37 HA LYS 37 -9.117 3.200 6.491 280 HB2 LYS 37 HB2 LYS 37 -6.877 2.179 6.539 281 HB3 LYS 37 HB1 LYS 37 -7.588 0.598 6.860 282 HG2 LYS 37 HG2 LYS 37 -8.799 0.691 4.722 283 HG3 LYS 37 HG1 LYS 37 -8.133 2.295 4.406 284 HD2 LYS 37 HD2 LYS 37 -5.861 1.376 4.407 285 HD3 LYS 37 HD1 LYS 37 -6.491 -0.227 4.789 286 HE2 LYS 37 HE2 LYS 37 -6.053 -0.056 2.383 287 HE3 LYS 37 HE1 LYS 37 -7.787 -0.203 2.671 288 HZ1 LYS 37 HZ1 LYS 37 -8.055 1.685 1.575 289 HZ2 LYS 37 HZ2 LYS 37 -6.376 1.886 1.407 290 HZ3 LYS 37 HZ3 LYS 37 -7.176 2.501 2.774 291 H LYS 38 HN LYS 38 -9.909 0.318 8.398 292 HA LYS 38 HA LYS 38 -11.640 -0.880 6.523 293 HB2 LYS 38 HB2 LYS 38 -11.571 -1.055 9.549 294 HB3 LYS 38 HB1 LYS 38 -12.654 -2.012 8.539 295 HG2 LYS 38 HG2 LYS 38 -10.724 -2.947 7.331 296 HG3 LYS 38 HG1 LYS 38 -9.631 -1.983 8.326 297 HD2 LYS 38 HD2 LYS 38 -10.475 -3.128 10.352 298 HD3 LYS 38 HD1 LYS 38 -11.537 -4.110 9.344 299 HE2 LYS 38 HE2 LYS 38 -8.515 -4.033 9.114 300 HE3 LYS 38 HE1 LYS 38 -9.435 -5.305 9.918 301 HZ1 LYS 38 HZ1 LYS 38 -10.627 -5.626 7.774 302 HZ2 LYS 38 HZ2 LYS 38 -8.976 -6.024 7.721 303 HZ3 LYS 38 HZ3 LYS 38 -9.523 -4.563 7.048 304 H GLU 39 HN GLU 39 -12.174 1.655 8.937 305 HA GLU 39 HA GLU 39 -14.994 1.690 8.775 306 HB2 GLU 39 HB2 GLU 39 -13.793 2.849 10.588 307 HB3 GLU 39 HB1 GLU 39 -13.124 3.998 9.434 308 HG2 GLU 39 HG2 GLU 39 -15.068 4.975 10.540 309 HG3 GLU 39 HG1 GLU 39 -15.438 4.710 8.841 310 H ALA 40 HN ALA 40 -12.489 3.252 6.820 311 HA ALA 40 HA ALA 40 -14.198 4.939 5.339 312 HB1 ALA 40 HB1 ALA 40 -11.510 3.730 4.625 313 HB2 ALA 40 HB2 ALA 40 -11.854 5.368 5.174 314 HB3 ALA 40 HB3 ALA 40 -12.378 4.849 3.574 315 H GLU 41 HN GLU 41 -13.336 1.531 4.944 316 HA GLU 41 HA GLU 41 -14.420 1.183 2.364 317 HB2 GLU 41 HB2 GLU 41 -14.014 -0.788 4.630 318 HB3 GLU 41 HB1 GLU 41 -14.600 -1.250 3.033 319 HG2 GLU 41 HG2 GLU 41 -12.586 -0.425 1.983 320 HG3 GLU 41 HG1 GLU 41 -12.017 0.257 3.506 321 H ARG 42 HN ARG 42 -15.912 1.112 5.575 322 HA ARG 42 HA ARG 42 -18.397 0.038 4.779 323 HB2 ARG 42 HB2 ARG 42 -17.757 0.186 7.150 324 HB3 ARG 42 HB1 ARG 42 -17.849 1.945 7.080 325 HG2 ARG 42 HG2 ARG 42 -20.229 1.828 6.521 326 HG3 ARG 42 HG1 ARG 42 -20.152 0.066 6.489 327 HD2 ARG 42 HD2 ARG 42 -19.529 0.036 8.865 328 HD3 ARG 42 HD1 ARG 42 -19.560 1.798 8.906 329 HE ARG 42 HE ARG 42 -22.058 0.914 7.980 330 HH11 ARG 42 HH11 ARG 42 -23.809 0.813 9.424 331 HH12 ARG 42 HH12 ARG 42 -23.514 0.725 11.129 332 HH21 ARG 42 HH21 ARG 42 -20.063 0.785 10.805 333 HH22 ARG 42 HH22 ARG 42 -21.393 0.709 11.910 334 H LYS 43 HN LYS 43 -17.150 3.354 4.776 335 HA LYS 43 HA LYS 43 -19.622 4.612 4.138 336 HB2 LYS 43 HB2 LYS 43 -16.754 5.506 3.750 337 HB3 LYS 43 HB1 LYS 43 -18.159 6.514 3.406 338 HG2 LYS 43 HG2 LYS 43 -18.886 6.436 5.696 339 HG3 LYS 43 HG1 LYS 43 -17.701 5.194 6.090 340 HD2 LYS 43 HD2 LYS 43 -16.830 7.275 6.917 341 HD3 LYS 43 HD1 LYS 43 -15.895 6.864 5.482 342 HE2 LYS 43 HE2 LYS 43 -17.152 8.429 4.131 343 HE3 LYS 43 HE1 LYS 43 -18.288 8.724 5.448 344 HZ1 LYS 43 HZ1 LYS 43 -16.819 10.025 6.539 345 HZ2 LYS 43 HZ2 LYS 43 -16.214 10.276 4.973 346 HZ3 LYS 43 HZ3 LYS 43 -15.462 9.159 6.008 347 H ALA 44 HN ALA 44 -17.308 2.857 2.264 348 HA ALA 44 HA ALA 44 -17.759 3.993 -0.276 349 HB1 ALA 44 HB1 ALA 44 -17.088 1.099 0.338 350 HB2 ALA 44 HB2 ALA 44 -15.913 2.404 0.169 351 HB3 ALA 44 HB3 ALA 44 -16.888 1.913 -1.213 352 H LEU 45 HN LEU 45 -19.704 1.855 1.653 353 HA LEU 45 HA LEU 45 -21.292 0.752 -0.402 354 HB2 LEU 45 HB2 LEU 45 -21.332 -0.192 1.856 355 HB3 LEU 45 HB1 LEU 45 -22.047 1.285 2.496 356 HG LEU 45 HG LEU 45 -24.033 0.939 1.050 357 HD11 LEU 45 HD11 LEU 45 -24.153 -1.512 0.094 358 HD12 LEU 45 HD12 LEU 45 -22.393 -1.414 0.123 359 HD13 LEU 45 HD13 LEU 45 -23.326 -0.264 -0.833 360 HD21 LEU 45 HD21 LEU 45 -23.817 -0.030 3.386 361 HD22 LEU 45 HD22 LEU 45 -23.391 -1.564 2.629 362 HD23 LEU 45 HD23 LEU 45 -24.980 -0.853 2.347 363 H GLU 46 HN GLU 46 -21.555 3.793 1.409 364 HA GLU 46 HA GLU 46 -24.093 4.548 0.421 365 HB2 GLU 46 HB2 GLU 46 -21.794 6.212 1.486 366 HB3 GLU 46 HB1 GLU 46 -23.357 6.890 1.027 367 HG2 GLU 46 HG2 GLU 46 -24.502 5.501 2.648 368 HG3 GLU 46 HG1 GLU 46 -23.009 4.645 3.030 369 H ASP 47 HN ASP 47 -20.839 4.895 -0.891 370 HA ASP 47 HA ASP 47 -21.415 6.768 -2.907 371 HB2 ASP 47 HB2 ASP 47 -19.305 4.602 -2.750 372 HB3 ASP 47 HB1 ASP 47 -19.412 5.748 -4.083 373 H LYS 48 HN LYS 48 -21.867 3.264 -2.795 374 HA LYS 48 HA LYS 48 -22.325 2.865 -5.545 375 HB2 LYS 48 HB2 LYS 48 -23.324 1.328 -3.132 376 HB3 LYS 48 HB1 LYS 48 -23.613 0.824 -4.796 377 HG2 LYS 48 HG2 LYS 48 -21.187 0.786 -5.216 378 HG3 LYS 48 HG1 LYS 48 -20.889 1.301 -3.556 379 HD2 LYS 48 HD2 LYS 48 -21.992 -0.740 -2.719 380 HD3 LYS 48 HD1 LYS 48 -22.297 -1.257 -4.378 381 HE2 LYS 48 HE2 LYS 48 -19.872 -1.301 -4.818 382 HE3 LYS 48 HE1 LYS 48 -19.560 -0.777 -3.162 383 HZ1 LYS 48 HZ1 LYS 48 -19.728 -2.860 -2.479 384 HZ2 LYS 48 HZ2 LYS 48 -19.937 -3.372 -4.087 385 HZ3 LYS 48 HZ3 LYS 48 -21.289 -2.996 -3.128 386 H LEU 49 HN LEU 49 -24.509 3.915 -2.948 387 HA LEU 49 HA LEU 49 -26.901 3.695 -4.446 388 HB2 LEU 49 HB2 LEU 49 -26.182 5.411 -2.058 389 HB3 LEU 49 HB1 LEU 49 -27.767 5.472 -2.815 390 HG LEU 49 HG LEU 49 -27.645 3.910 -0.860 391 HD11 LEU 49 HD11 LEU 49 -29.099 2.381 -1.799 392 HD12 LEU 49 HD12 LEU 49 -28.123 2.154 -3.248 393 HD13 LEU 49 HD13 LEU 49 -29.113 3.602 -3.069 394 HD21 LEU 49 HD21 LEU 49 -25.995 2.109 -2.637 395 HD22 LEU 49 HD22 LEU 49 -26.331 1.942 -0.915 396 HD23 LEU 49 HD23 LEU 49 -25.246 3.209 -1.480 397 H ALA 50 HN ALA 50 -24.479 6.258 -4.200 398 HA ALA 50 HA ALA 50 -24.177 8.190 -5.444 399 HB1 ALA 50 HB1 ALA 50 -24.281 6.407 -7.264 400 HB2 ALA 50 HB2 ALA 50 -24.666 8.053 -7.767 401 HB3 ALA 50 HB3 ALA 50 -25.962 6.887 -7.503 402 H ASP 51 HN ASP 51 -26.511 7.917 -3.627 403 HA ASP 51 HA ASP 51 -28.796 9.129 -4.749 404 HB2 ASP 51 HB2 ASP 51 -27.792 9.038 -1.893 405 HB3 ASP 51 HB1 ASP 51 -29.320 9.782 -2.354 406 H TYR 52 HN TYR 52 -25.846 10.517 -3.361 407 HA TYR 52 HA TYR 52 -26.600 13.159 -3.055 408 HB2 TYR 52 HB2 TYR 52 -23.974 12.083 -4.112 409 HB3 TYR 52 HB1 TYR 52 -24.231 13.719 -3.505 410 HD1 TYR 52 HD1 TYR 52 -23.876 10.182 -2.613 411 HD2 TYR 52 HD2 TYR 52 -24.724 14.118 -1.116 412 HE1 TYR 52 HE1 TYR 52 -23.507 9.380 -0.295 413 HE2 TYR 52 HE2 TYR 52 -24.356 13.316 1.201 414 HH TYR 52 HH TYR 52 -24.551 10.589 2.254 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 33.080 -8.702 42.793 2 H2 GLY 1 HT2 GLY 1 31.499 -8.084 42.853 3 H3 GLY 1 HT3 GLY 1 32.830 -7.031 42.945 4 HA2 GLY 1 HA2 GLY 1 31.446 -7.795 40.675 5 HA3 GLY 1 HA1 GLY 1 32.927 -6.839 40.756 6 H SER 2 HN SER 2 32.204 -10.251 41.493 7 HA SER 2 HA SER 2 34.654 -11.213 40.484 8 HB2 SER 2 HB2 SER 2 32.043 -12.649 41.019 9 HB3 SER 2 HB1 SER 2 33.540 -13.462 40.570 10 HG SER 2 HG SER 2 33.802 -11.617 42.588 11 H VAL 3 HN VAL 3 31.481 -10.796 38.957 12 HA VAL 3 HA VAL 3 32.764 -11.301 36.349 13 HB VAL 3 HB VAL 3 30.746 -12.565 35.601 14 HG11 VAL 3 HG11 VAL 3 32.826 -13.631 36.643 15 HG12 VAL 3 HG12 VAL 3 31.365 -14.616 36.611 16 HG13 VAL 3 HG13 VAL 3 31.860 -13.823 38.107 17 HG21 VAL 3 HG21 VAL 3 29.019 -13.214 37.088 18 HG22 VAL 3 HG22 VAL 3 29.253 -11.505 37.437 19 HG23 VAL 3 HG23 VAL 3 29.935 -12.726 38.511 20 H GLU 4 HN GLU 4 31.547 -10.202 34.499 21 HA GLU 4 HA GLU 4 30.249 -8.534 33.579 22 HB2 GLU 4 HB2 GLU 4 28.551 -9.375 35.407 23 HB3 GLU 4 HB1 GLU 4 28.995 -7.889 36.242 24 HG2 GLU 4 HG2 GLU 4 27.084 -7.371 34.895 25 HG3 GLU 4 HG1 GLU 4 28.478 -6.645 34.098 26 H LYS 5 HN LYS 5 32.005 -8.054 36.556 27 HA LYS 5 HA LYS 5 32.363 -5.175 35.971 28 HB2 LYS 5 HB2 LYS 5 33.177 -6.752 38.425 29 HB3 LYS 5 HB1 LYS 5 33.229 -5.002 38.235 30 HG2 LYS 5 HG2 LYS 5 30.701 -6.678 38.126 31 HG3 LYS 5 HG1 LYS 5 31.239 -5.763 39.530 32 HD2 LYS 5 HD2 LYS 5 31.216 -3.695 38.023 33 HD3 LYS 5 HD1 LYS 5 30.346 -4.685 36.848 34 HE2 LYS 5 HE2 LYS 5 29.453 -4.242 39.707 35 HE3 LYS 5 HE1 LYS 5 28.804 -3.392 38.304 36 HZ1 LYS 5 HZ1 LYS 5 27.872 -5.322 37.463 37 HZ2 LYS 5 HZ2 LYS 5 27.594 -5.471 39.132 38 HZ3 LYS 5 HZ3 LYS 5 28.856 -6.340 38.396 39 H LEU 6 HN LEU 6 33.747 -7.985 35.107 40 HA LEU 6 HA LEU 6 36.543 -7.101 35.427 41 HB2 LEU 6 HB2 LEU 6 35.346 -9.710 34.472 42 HB3 LEU 6 HB1 LEU 6 37.065 -9.353 34.401 43 HG LEU 6 HG LEU 6 35.433 -9.246 36.962 44 HD11 LEU 6 HD11 LEU 6 35.463 -11.530 36.073 45 HD12 LEU 6 HD12 LEU 6 36.508 -11.416 37.488 46 HD13 LEU 6 HD13 LEU 6 37.212 -11.445 35.872 47 HD21 LEU 6 HD21 LEU 6 37.917 -9.587 37.831 48 HD22 LEU 6 HD22 LEU 6 37.351 -7.980 37.397 49 HD23 LEU 6 HD23 LEU 6 38.346 -8.894 36.267 50 H THR 7 HN THR 7 34.132 -6.451 33.356 51 HA THR 7 HA THR 7 35.998 -5.817 31.200 52 HB THR 7 HB THR 7 35.212 -8.077 30.612 53 HG1 THR 7 HG1 THR 7 35.545 -6.425 29.009 54 HG21 THR 7 HG21 THR 7 32.833 -8.443 30.082 55 HG22 THR 7 HG22 THR 7 32.453 -6.816 30.644 56 HG23 THR 7 HG23 THR 7 33.043 -8.027 31.780 57 H ALA 8 HN ALA 8 35.292 -4.175 29.837 58 HA ALA 8 HA ALA 8 33.179 -2.494 30.971 59 HB1 ALA 8 HB1 ALA 8 35.449 -1.582 30.301 60 HB2 ALA 8 HB2 ALA 8 34.061 -0.726 29.630 61 HB3 ALA 8 HB3 ALA 8 34.971 -1.851 28.622 62 H ASP 9 HN ASP 9 33.398 -4.880 28.643 63 HA ASP 9 HA ASP 9 31.525 -3.714 26.744 64 HB2 ASP 9 HB2 ASP 9 31.735 -5.813 25.552 65 HB3 ASP 9 HB1 ASP 9 33.339 -5.258 26.021 66 H ALA 10 HN ALA 10 31.137 -4.767 29.761 67 HA ALA 10 HA ALA 10 29.068 -6.677 29.632 68 HB1 ALA 10 HB1 ALA 10 28.428 -5.762 31.933 69 HB2 ALA 10 HB2 ALA 10 29.785 -4.653 31.764 70 HB3 ALA 10 HB3 ALA 10 30.063 -6.394 31.762 71 H GLU 11 HN GLU 11 28.978 -3.136 29.440 72 HA GLU 11 HA GLU 11 26.187 -2.834 29.707 73 HB2 GLU 11 HB2 GLU 11 26.504 -0.643 28.688 74 HB3 GLU 11 HB1 GLU 11 27.794 -0.958 29.847 75 HG2 GLU 11 HG2 GLU 11 29.242 -1.724 27.954 76 HG3 GLU 11 HG1 GLU 11 27.966 -1.254 26.833 77 H LEU 12 HN LEU 12 28.168 -3.847 27.025 78 HA LEU 12 HA LEU 12 26.249 -3.381 24.971 79 HB2 LEU 12 HB2 LEU 12 28.621 -5.265 25.082 80 HB3 LEU 12 HB1 LEU 12 27.605 -5.067 23.661 81 HG LEU 12 HG LEU 12 29.034 -2.772 25.039 82 HD11 LEU 12 HD11 LEU 12 30.762 -4.168 24.192 83 HD12 LEU 12 HD12 LEU 12 30.522 -2.932 22.956 84 HD13 LEU 12 HD13 LEU 12 29.847 -4.547 22.732 85 HD21 LEU 12 HD21 LEU 12 27.354 -1.758 23.773 86 HD22 LEU 12 HD22 LEU 12 27.322 -3.049 22.573 87 HD23 LEU 12 HD23 LEU 12 28.629 -1.868 22.566 88 H GLN 13 HN GLN 13 26.809 -6.012 27.222 89 HA GLN 13 HA GLN 13 25.203 -7.957 25.960 90 HB2 GLN 13 HB2 GLN 13 26.760 -8.515 27.797 91 HB3 GLN 13 HB1 GLN 13 25.725 -7.655 28.937 92 HG2 GLN 13 HG2 GLN 13 23.876 -9.170 28.460 93 HG3 GLN 13 HG1 GLN 13 24.826 -9.983 27.218 94 HE21 GLN 13 HE21 GLN 13 24.761 -12.042 28.375 95 HE22 GLN 13 HE22 GLN 13 25.656 -12.279 29.797 96 H ARG 14 HN ARG 14 24.384 -5.294 28.143 97 HA ARG 14 HA ARG 14 21.742 -6.086 28.711 98 HB2 ARG 14 HB2 ARG 14 22.836 -4.277 29.964 99 HB3 ARG 14 HB1 ARG 14 22.834 -3.256 28.527 100 HG2 ARG 14 HG2 ARG 14 20.396 -3.277 28.466 101 HG3 ARG 14 HG1 ARG 14 20.346 -4.407 29.820 102 HD2 ARG 14 HD2 ARG 14 21.408 -2.745 31.275 103 HD3 ARG 14 HD1 ARG 14 21.539 -1.622 29.925 104 HE ARG 14 HE ARG 14 19.269 -1.141 30.157 105 HH11 ARG 14 HH11 ARG 14 17.289 -1.269 31.263 106 HH12 ARG 14 HH12 ARG 14 17.032 -2.530 32.423 107 HH21 ARG 14 HH21 ARG 14 20.169 -3.938 31.985 108 HH22 ARG 14 HH22 ARG 14 18.662 -4.041 32.832 109 H LEU 15 HN LEU 15 23.103 -4.317 25.956 110 HA LEU 15 HA LEU 15 20.623 -3.588 24.801 111 HB2 LEU 15 HB2 LEU 15 23.354 -3.988 23.546 112 HB3 LEU 15 HB1 LEU 15 21.956 -3.378 22.669 113 HG LEU 15 HG LEU 15 23.032 -2.117 25.209 114 HD11 LEU 15 HD11 LEU 15 23.606 -1.557 22.295 115 HD12 LEU 15 HD12 LEU 15 24.759 -1.845 23.597 116 HD13 LEU 15 HD13 LEU 15 23.845 -0.338 23.547 117 HD21 LEU 15 HD21 LEU 15 20.833 -1.446 23.258 118 HD22 LEU 15 HD22 LEU 15 21.704 -0.127 24.038 119 HD23 LEU 15 HD23 LEU 15 20.848 -1.312 25.016 120 H LYS 16 HN LYS 16 22.590 -6.513 24.593 121 HA LYS 16 HA LYS 16 21.248 -7.708 22.421 122 HB2 LYS 16 HB2 LYS 16 22.813 -8.933 24.706 123 HB3 LYS 16 HB1 LYS 16 22.161 -9.867 23.360 124 HG2 LYS 16 HG2 LYS 16 23.420 -8.472 21.769 125 HG3 LYS 16 HG1 LYS 16 24.066 -7.522 23.107 126 HD2 LYS 16 HD2 LYS 16 25.132 -9.543 24.036 127 HD3 LYS 16 HD1 LYS 16 24.485 -10.498 22.701 128 HE2 LYS 16 HE2 LYS 16 25.741 -9.116 21.094 129 HE3 LYS 16 HE1 LYS 16 26.384 -8.150 22.422 130 HZ1 LYS 16 HZ1 LYS 16 26.741 -10.996 22.735 131 HZ2 LYS 16 HZ2 LYS 16 27.849 -9.728 22.964 132 HZ3 LYS 16 HZ3 LYS 16 27.566 -10.341 21.406 133 H ASN 17 HN ASN 17 20.524 -7.752 25.915 134 HA ASN 17 HA ASN 17 18.215 -9.513 25.407 135 HB2 ASN 17 HB2 ASN 17 18.097 -9.787 27.803 136 HB3 ASN 17 HB1 ASN 17 19.757 -10.057 27.278 137 HD21 ASN 17 HD21 ASN 17 20.157 -9.505 29.688 138 HD22 ASN 17 HD22 ASN 17 20.346 -7.863 30.080 139 H GLU 18 HN GLU 18 18.588 -6.441 24.904 140 HA GLU 18 HA GLU 18 16.766 -5.103 26.593 141 HB2 GLU 18 HB2 GLU 18 18.326 -3.875 25.133 142 HB3 GLU 18 HB1 GLU 18 17.449 -4.430 23.709 143 HG2 GLU 18 HG2 GLU 18 15.419 -3.297 24.493 144 HG3 GLU 18 HG1 GLU 18 16.254 -2.787 25.959 145 H ARG 19 HN ARG 19 16.278 -6.972 23.620 146 HA ARG 19 HA ARG 19 13.533 -6.285 23.288 147 HB2 ARG 19 HB2 ARG 19 15.083 -8.710 22.337 148 HB3 ARG 19 HB1 ARG 19 13.458 -8.277 21.809 149 HG2 ARG 19 HG2 ARG 19 14.239 -6.214 20.838 150 HG3 ARG 19 HG1 ARG 19 15.839 -6.425 21.547 151 HD2 ARG 19 HD2 ARG 19 14.599 -8.318 19.534 152 HD3 ARG 19 HD1 ARG 19 15.751 -7.051 19.126 153 HE ARG 19 HE ARG 19 16.902 -8.599 21.152 154 HH11 ARG 19 HH11 ARG 19 18.390 -10.231 20.620 155 HH12 ARG 19 HH12 ARG 19 18.393 -10.906 19.025 156 HH21 ARG 19 HH21 ARG 19 15.788 -8.919 17.892 157 HH22 ARG 19 HH22 ARG 19 16.921 -10.163 17.481 158 H HIS 20 HN HIS 20 11.677 -7.399 23.895 159 HA HIS 20 HA HIS 20 11.999 -9.605 25.841 160 HB2 HIS 20 HB2 HIS 20 10.189 -7.190 26.148 161 HB3 HIS 20 HB1 HIS 20 10.239 -8.572 27.241 162 HD2 HIS 20 HD2 HIS 20 11.993 -5.211 26.831 163 HE1 HIS 20 HE1 HIS 20 14.516 -7.531 29.296 164 HE2 HIS 20 HE2 HIS 20 14.068 -5.191 28.416 165 H GLU 21 HN GLU 21 10.197 -11.156 25.821 166 HA GLU 21 HA GLU 21 8.871 -11.394 23.332 167 HB2 GLU 21 HB2 GLU 21 8.427 -12.831 25.963 168 HB3 GLU 21 HB1 GLU 21 7.539 -13.206 24.489 169 HG2 GLU 21 HG2 GLU 21 10.565 -13.210 24.646 170 HG3 GLU 21 HG1 GLU 21 9.576 -14.648 24.885 171 H GLU 22 HN GLU 22 7.889 -10.050 26.443 172 HA GLU 22 HA GLU 22 5.129 -9.804 25.839 173 HB2 GLU 22 HB2 GLU 22 6.880 -8.280 27.788 174 HB3 GLU 22 HB1 GLU 22 5.143 -8.021 27.637 175 HG2 GLU 22 HG2 GLU 22 4.693 -10.333 28.194 176 HG3 GLU 22 HG1 GLU 22 6.412 -10.713 28.187 177 H ALA 23 HN ALA 23 7.914 -7.759 25.193 178 HA ALA 23 HA ALA 23 6.497 -5.448 24.377 179 HB1 ALA 23 HB1 ALA 23 8.910 -5.393 24.862 180 HB2 ALA 23 HB2 ALA 23 8.569 -4.772 23.248 181 HB3 ALA 23 HB3 ALA 23 9.222 -6.397 23.443 182 H GLU 24 HN GLU 24 7.055 -8.477 22.788 183 HA GLU 24 HA GLU 24 6.772 -7.608 20.109 184 HB2 GLU 24 HB2 GLU 24 6.252 -10.314 21.363 185 HB3 GLU 24 HB1 GLU 24 6.111 -10.000 19.637 186 HG2 GLU 24 HG2 GLU 24 8.617 -9.392 21.229 187 HG3 GLU 24 HG1 GLU 24 8.358 -10.905 20.365 188 H LEU 25 HN LEU 25 4.347 -8.487 22.552 189 HA LEU 25 HA LEU 25 2.152 -8.583 20.755 190 HB2 LEU 25 HB2 LEU 25 0.745 -8.629 22.639 191 HB3 LEU 25 HB1 LEU 25 2.215 -9.435 23.163 192 HG LEU 25 HG LEU 25 2.802 -6.824 23.840 193 HD11 LEU 25 HD11 LEU 25 0.923 -5.676 24.675 194 HD12 LEU 25 HD12 LEU 25 -0.099 -7.114 24.627 195 HD13 LEU 25 HD13 LEU 25 0.356 -6.305 23.130 196 HD21 LEU 25 HD21 LEU 25 2.981 -8.857 25.292 197 HD22 LEU 25 HD22 LEU 25 1.246 -8.757 25.592 198 HD23 LEU 25 HD23 LEU 25 2.314 -7.466 26.145 199 H GLU 26 HN GLU 26 3.918 -5.971 22.162 200 HA GLU 26 HA GLU 26 1.962 -3.942 21.982 201 HB2 GLU 26 HB2 GLU 26 4.077 -3.616 23.220 202 HB3 GLU 26 HB1 GLU 26 4.973 -3.631 21.703 203 HG2 GLU 26 HG2 GLU 26 3.724 -1.666 20.924 204 HG3 GLU 26 HG1 GLU 26 2.773 -1.668 22.409 205 H ARG 27 HN ARG 27 4.183 -5.312 19.605 206 HA ARG 27 HA ARG 27 3.767 -3.383 17.580 207 HB2 ARG 27 HB2 ARG 27 5.627 -4.982 17.454 208 HB3 ARG 27 HB1 ARG 27 4.492 -6.315 17.250 209 HG2 ARG 27 HG2 ARG 27 3.686 -5.379 15.159 210 HG3 ARG 27 HG1 ARG 27 4.666 -3.930 15.389 211 HD2 ARG 27 HD2 ARG 27 6.714 -5.265 15.261 212 HD3 ARG 27 HD1 ARG 27 5.766 -6.741 15.112 213 HE ARG 27 HE ARG 27 4.936 -5.071 13.049 214 HH11 ARG 27 HH11 ARG 27 5.828 -5.273 10.969 215 HH12 ARG 27 HH12 ARG 27 7.388 -5.997 10.768 216 HH21 ARG 27 HH21 ARG 27 7.846 -6.583 14.155 217 HH22 ARG 27 HH22 ARG 27 8.531 -6.739 12.572 218 H LEU 28 HN LEU 28 1.969 -6.311 18.457 219 HA LEU 28 HA LEU 28 0.305 -6.366 16.181 220 HB2 LEU 28 HB2 LEU 28 0.453 -8.300 17.673 221 HB3 LEU 28 HB1 LEU 28 -0.286 -7.387 18.983 222 HG LEU 28 HG LEU 28 -2.345 -7.118 17.627 223 HD11 LEU 28 HD11 LEU 28 -0.663 -8.582 15.596 224 HD12 LEU 28 HD12 LEU 28 -1.705 -7.176 15.371 225 HD13 LEU 28 HD13 LEU 28 -2.417 -8.772 15.582 226 HD21 LEU 28 HD21 LEU 28 -1.478 -10.020 17.734 227 HD22 LEU 28 HD22 LEU 28 -3.118 -9.387 17.880 228 HD23 LEU 28 HD23 LEU 28 -1.943 -9.093 19.161 229 H LYS 29 HN LYS 29 0.010 -4.631 19.266 230 HA LYS 29 HA LYS 29 -2.622 -3.682 18.829 231 HB2 LYS 29 HB2 LYS 29 -0.380 -2.592 20.552 232 HB3 LYS 29 HB1 LYS 29 -1.988 -1.876 20.490 233 HG2 LYS 29 HG2 LYS 29 -2.981 -4.023 21.179 234 HG3 LYS 29 HG1 LYS 29 -1.378 -4.753 21.239 235 HD2 LYS 29 HD2 LYS 29 -0.698 -3.111 22.959 236 HD3 LYS 29 HD1 LYS 29 -2.315 -2.406 22.915 237 HE2 LYS 29 HE2 LYS 29 -1.700 -5.291 23.621 238 HE3 LYS 29 HE1 LYS 29 -2.055 -4.019 24.789 239 HZ1 LYS 29 HZ1 LYS 29 -4.089 -5.054 24.431 240 HZ2 LYS 29 HZ2 LYS 29 -3.840 -5.208 22.758 241 HZ3 LYS 29 HZ3 LYS 29 -4.171 -3.685 23.434 242 H SER 30 HN SER 30 0.547 -2.464 17.847 243 HA SER 30 HA SER 30 -0.305 0.070 16.952 244 HB2 SER 30 HB2 SER 30 2.038 -1.630 16.054 245 HB3 SER 30 HB1 SER 30 1.768 0.033 15.549 246 HG SER 30 HG SER 30 1.614 0.424 17.930 247 H GLU 31 HN GLU 31 -0.288 -3.103 15.377 248 HA GLU 31 HA GLU 31 -0.846 -2.197 12.763 249 HB2 GLU 31 HB2 GLU 31 -0.121 -4.506 13.221 250 HB3 GLU 31 HB1 GLU 31 -1.660 -4.840 14.009 251 HG2 GLU 31 HG2 GLU 31 -2.859 -4.359 11.926 252 HG3 GLU 31 HG1 GLU 31 -1.340 -3.951 11.131 253 H ALA 32 HN ALA 32 -2.957 -2.904 15.521 254 HA ALA 32 HA ALA 32 -5.422 -2.770 14.138 255 HB1 ALA 32 HB1 ALA 32 -5.242 -3.700 16.413 256 HB2 ALA 32 HB2 ALA 32 -6.445 -2.414 16.338 257 HB3 ALA 32 HB3 ALA 32 -4.862 -2.095 17.041 258 H ALA 33 HN ALA 33 -3.201 -0.321 15.128 259 HA ALA 33 HA ALA 33 -4.953 1.872 15.379 260 HB1 ALA 33 HB1 ALA 33 -2.087 1.922 14.378 261 HB2 ALA 33 HB2 ALA 33 -2.585 1.996 16.069 262 HB3 ALA 33 HB3 ALA 33 -3.011 3.301 14.967 263 H ASP 34 HN ASP 34 -3.637 0.269 12.544 264 HA ASP 34 HA ASP 34 -4.017 0.590 10.281 265 HB2 ASP 34 HB2 ASP 34 -6.572 1.718 11.442 266 HB3 ASP 34 HB1 ASP 34 -6.309 1.460 9.718 267 H HIS 35 HN HIS 35 -2.413 2.536 11.531 268 HA HIS 35 HA HIS 35 -1.525 4.651 11.170 269 HB2 HIS 35 HB2 HIS 35 -3.074 4.351 8.582 270 HB3 HIS 35 HB1 HIS 35 -1.827 5.559 8.893 271 HD2 HIS 35 HD2 HIS 35 0.814 4.598 8.742 272 HE1 HIS 35 HE1 HIS 35 -0.168 0.575 7.925 273 HE2 HIS 35 HE2 HIS 35 1.735 2.249 8.066 274 H ASP 36 HN ASP 36 -3.983 4.480 12.664 275 HA ASP 36 HA ASP 36 -5.678 5.837 13.481 276 HB2 ASP 36 HB2 ASP 36 -3.854 7.899 12.227 277 HB3 ASP 36 HB1 ASP 36 -5.250 8.304 13.221 278 H LYS 37 HN LYS 37 -6.070 4.626 10.865 279 HA LYS 37 HA LYS 37 -7.119 6.469 8.998 280 HB2 LYS 37 HB2 LYS 37 -6.560 4.165 8.354 281 HB3 LYS 37 HB1 LYS 37 -7.870 3.547 9.357 282 HG2 LYS 37 HG2 LYS 37 -9.508 4.794 7.999 283 HG3 LYS 37 HG1 LYS 37 -8.199 5.440 7.010 284 HD2 LYS 37 HD2 LYS 37 -7.577 3.153 6.331 285 HD3 LYS 37 HD1 LYS 37 -8.882 2.503 7.325 286 HE2 LYS 37 HE2 LYS 37 -10.534 3.743 5.980 287 HE3 LYS 37 HE1 LYS 37 -9.233 4.404 4.988 288 HZ1 LYS 37 HZ1 LYS 37 -10.307 1.684 5.077 289 HZ2 LYS 37 HZ2 LYS 37 -8.651 1.872 4.748 290 HZ3 LYS 37 HZ3 LYS 37 -9.808 2.607 3.745 291 H LYS 38 HN LYS 38 -8.661 4.777 11.720 292 HA LYS 38 HA LYS 38 -11.308 5.526 11.115 293 HB2 LYS 38 HB2 LYS 38 -10.001 4.821 13.755 294 HB3 LYS 38 HB1 LYS 38 -11.726 5.136 13.576 295 HG2 LYS 38 HG2 LYS 38 -11.889 3.342 11.896 296 HG3 LYS 38 HG1 LYS 38 -10.162 3.025 12.064 297 HD2 LYS 38 HD2 LYS 38 -10.470 2.443 14.426 298 HD3 LYS 38 HD1 LYS 38 -12.191 2.819 14.309 299 HE2 LYS 38 HE2 LYS 38 -11.852 0.399 14.111 300 HE3 LYS 38 HE1 LYS 38 -12.440 1.051 12.582 301 HZ1 LYS 38 HZ1 LYS 38 -10.038 -0.320 13.100 302 HZ2 LYS 38 HZ2 LYS 38 -9.669 1.242 12.545 303 HZ3 LYS 38 HZ3 LYS 38 -10.652 0.217 11.614 304 H GLU 39 HN GLU 39 -8.737 7.219 12.870 305 HA GLU 39 HA GLU 39 -10.353 9.268 13.946 306 HB2 GLU 39 HB2 GLU 39 -7.404 9.224 13.254 307 HB3 GLU 39 HB1 GLU 39 -8.198 10.584 14.046 308 HG2 GLU 39 HG2 GLU 39 -8.873 9.186 15.904 309 HG3 GLU 39 HG1 GLU 39 -8.271 7.743 15.091 310 H ALA 40 HN ALA 40 -8.814 8.895 10.786 311 HA ALA 40 HA ALA 40 -9.178 11.544 9.882 312 HB1 ALA 40 HB1 ALA 40 -7.724 9.988 8.675 313 HB2 ALA 40 HB2 ALA 40 -8.972 10.617 7.603 314 HB3 ALA 40 HB3 ALA 40 -9.114 8.985 8.251 315 H GLU 41 HN GLU 41 -11.403 8.871 10.188 316 HA GLU 41 HA GLU 41 -13.389 9.812 8.393 317 HB2 GLU 41 HB2 GLU 41 -13.649 8.038 10.839 318 HB3 GLU 41 HB1 GLU 41 -14.925 8.315 9.655 319 HG2 GLU 41 HG2 GLU 41 -12.184 7.236 8.949 320 HG3 GLU 41 HG1 GLU 41 -13.593 6.219 9.246 321 H ARG 42 HN ARG 42 -12.523 10.683 11.655 322 HA ARG 42 HA ARG 42 -14.952 11.891 12.432 323 HB2 ARG 42 HB2 ARG 42 -12.099 12.442 13.305 324 HB3 ARG 42 HB1 ARG 42 -13.502 13.218 14.031 325 HG2 ARG 42 HG2 ARG 42 -13.368 10.213 13.829 326 HG3 ARG 42 HG1 ARG 42 -12.541 11.053 15.137 327 HD2 ARG 42 HD2 ARG 42 -15.507 11.247 14.512 328 HD3 ARG 42 HD1 ARG 42 -14.788 10.355 15.841 329 HE ARG 42 HE ARG 42 -15.140 13.232 15.681 330 HH11 ARG 42 HH11 ARG 42 -14.589 14.370 17.567 331 HH12 ARG 42 HH12 ARG 42 -13.687 13.580 18.816 332 HH21 ARG 42 HH21 ARG 42 -13.485 10.559 17.126 333 HH22 ARG 42 HH22 ARG 42 -13.061 11.422 18.567 334 H LYS 43 HN LYS 43 -12.219 13.083 10.546 335 HA LYS 43 HA LYS 43 -12.989 15.819 10.528 336 HB2 LYS 43 HB2 LYS 43 -11.283 14.212 8.610 337 HB3 LYS 43 HB1 LYS 43 -11.491 15.961 8.521 338 HG2 LYS 43 HG2 LYS 43 -10.616 16.193 10.813 339 HG3 LYS 43 HG1 LYS 43 -10.408 14.444 10.914 340 HD2 LYS 43 HD2 LYS 43 -8.838 14.516 9.013 341 HD3 LYS 43 HD1 LYS 43 -9.042 16.266 8.910 342 HE2 LYS 43 HE2 LYS 43 -8.166 16.508 11.202 343 HE3 LYS 43 HE1 LYS 43 -7.965 14.760 11.313 344 HZ1 LYS 43 HZ1 LYS 43 -5.932 15.167 10.524 345 HZ2 LYS 43 HZ2 LYS 43 -6.339 16.716 9.961 346 HZ3 LYS 43 HZ3 LYS 43 -6.689 15.348 9.017 347 H ALA 44 HN ALA 44 -14.129 13.043 8.815 348 HA ALA 44 HA ALA 44 -15.145 14.273 6.489 349 HB1 ALA 44 HB1 ALA 44 -16.637 12.337 6.295 350 HB2 ALA 44 HB2 ALA 44 -16.280 11.872 7.956 351 HB3 ALA 44 HB3 ALA 44 -15.010 11.819 6.732 352 H LEU 45 HN LEU 45 -16.239 14.340 9.770 353 HA LEU 45 HA LEU 45 -18.963 14.986 9.304 354 HB2 LEU 45 HB2 LEU 45 -17.162 15.609 11.664 355 HB3 LEU 45 HB1 LEU 45 -18.897 15.901 11.638 356 HG LEU 45 HG LEU 45 -17.624 13.191 11.153 357 HD11 LEU 45 HD11 LEU 45 -18.978 14.246 13.654 358 HD12 LEU 45 HD12 LEU 45 -17.234 14.065 13.459 359 HD13 LEU 45 HD13 LEU 45 -18.276 12.642 13.437 360 HD21 LEU 45 HD21 LEU 45 -20.454 14.217 11.287 361 HD22 LEU 45 HD22 LEU 45 -20.119 12.589 11.872 362 HD23 LEU 45 HD23 LEU 45 -19.751 13.016 10.206 363 H GLU 46 HN GLU 46 -16.014 16.863 9.270 364 HA GLU 46 HA GLU 46 -17.160 19.431 9.521 365 HB2 GLU 46 HB2 GLU 46 -14.734 19.063 9.741 366 HB3 GLU 46 HB1 GLU 46 -14.627 18.670 8.026 367 HG2 GLU 46 HG2 GLU 46 -15.433 20.910 7.439 368 HG3 GLU 46 HG1 GLU 46 -15.622 21.304 9.146 369 H ASP 47 HN ASP 47 -16.705 17.325 6.704 370 HA ASP 47 HA ASP 47 -17.354 19.228 4.732 371 HB2 ASP 47 HB2 ASP 47 -17.636 16.212 4.752 372 HB3 ASP 47 HB1 ASP 47 -18.014 17.206 3.349 373 H LYS 48 HN LYS 48 -19.395 17.175 6.770 374 HA LYS 48 HA LYS 48 -21.825 17.651 5.414 375 HB2 LYS 48 HB2 LYS 48 -21.278 16.906 8.300 376 HB3 LYS 48 HB1 LYS 48 -22.897 17.025 7.612 377 HG2 LYS 48 HG2 LYS 48 -22.304 15.354 5.903 378 HG3 LYS 48 HG1 LYS 48 -20.680 15.234 6.579 379 HD2 LYS 48 HD2 LYS 48 -21.637 14.490 8.735 380 HD3 LYS 48 HD1 LYS 48 -23.255 14.581 8.039 381 HE2 LYS 48 HE2 LYS 48 -21.015 12.828 6.990 382 HE3 LYS 48 HE1 LYS 48 -22.354 12.266 7.989 383 HZ1 LYS 48 HZ1 LYS 48 -22.436 13.321 5.231 384 HZ2 LYS 48 HZ2 LYS 48 -23.826 13.289 6.207 385 HZ3 LYS 48 HZ3 LYS 48 -23.025 11.842 5.816 386 H LEU 49 HN LEU 49 -20.118 19.482 7.919 387 HA LEU 49 HA LEU 49 -22.225 21.256 8.543 388 HB2 LEU 49 HB2 LEU 49 -19.220 21.610 8.740 389 HB3 LEU 49 HB1 LEU 49 -20.384 22.782 9.346 390 HG LEU 49 HG LEU 49 -20.337 19.867 10.175 391 HD11 LEU 49 HD11 LEU 49 -19.229 22.301 11.607 392 HD12 LEU 49 HD12 LEU 49 -18.269 21.024 10.861 393 HD13 LEU 49 HD13 LEU 49 -19.284 20.663 12.256 394 HD21 LEU 49 HD21 LEU 49 -21.612 21.077 12.184 395 HD22 LEU 49 HD22 LEU 49 -22.480 20.598 10.733 396 HD23 LEU 49 HD23 LEU 49 -21.977 22.275 10.944 397 H ALA 50 HN ALA 50 -19.786 21.292 5.983 398 HA ALA 50 HA ALA 50 -20.238 23.942 5.103 399 HB1 ALA 50 HB1 ALA 50 -19.332 21.549 3.468 400 HB2 ALA 50 HB2 ALA 50 -18.278 22.648 4.361 401 HB3 ALA 50 HB3 ALA 50 -19.205 23.240 2.985 402 H ASP 51 HN ASP 51 -22.043 21.006 4.708 403 HA ASP 51 HA ASP 51 -24.029 20.529 3.605 404 HB2 ASP 51 HB2 ASP 51 -24.301 23.514 4.011 405 HB3 ASP 51 HB1 ASP 51 -25.597 22.488 3.400 406 H TYR 52 HN TYR 52 -21.708 20.914 1.943 407 HA TYR 52 HA TYR 52 -23.052 21.365 -0.581 408 HB2 TYR 52 HB2 TYR 52 -22.439 23.661 -0.042 409 HB3 TYR 52 HB1 TYR 52 -20.777 23.169 0.283 410 HD1 TYR 52 HD1 TYR 52 -23.383 23.310 -2.382 411 HD2 TYR 52 HD2 TYR 52 -19.199 22.956 -1.480 412 HE1 TYR 52 HE1 TYR 52 -22.843 23.554 -4.789 413 HE2 TYR 52 HE2 TYR 52 -18.659 23.201 -3.888 414 HH TYR 52 HH TYR 52 -19.905 22.762 -6.103 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 37.323 -17.061 23.650 2 H2 GLY 1 HT2 GLY 1 37.741 -15.569 24.347 3 H3 GLY 1 HT3 GLY 1 37.572 -15.706 22.662 4 HA2 GLY 1 HA2 GLY 1 35.626 -14.638 23.443 5 HA3 GLY 1 HA1 GLY 1 35.190 -16.296 23.021 6 H SER 2 HN SER 2 33.573 -14.974 24.758 7 HA SER 2 HA SER 2 34.269 -15.306 27.504 8 HB2 SER 2 HB2 SER 2 31.947 -14.796 27.956 9 HB3 SER 2 HB1 SER 2 32.518 -13.737 26.668 10 HG SER 2 HG SER 2 31.241 -16.217 26.173 11 H VAL 3 HN VAL 3 33.154 -17.455 25.064 12 HA VAL 3 HA VAL 3 32.649 -19.713 25.091 13 HB VAL 3 HB VAL 3 33.609 -19.791 27.952 14 HG11 VAL 3 HG11 VAL 3 32.741 -21.887 27.089 15 HG12 VAL 3 HG12 VAL 3 34.498 -22.006 27.152 16 HG13 VAL 3 HG13 VAL 3 33.689 -21.723 25.612 17 HG21 VAL 3 HG21 VAL 3 35.340 -18.545 26.924 18 HG22 VAL 3 HG22 VAL 3 35.203 -19.437 25.409 19 HG23 VAL 3 HG23 VAL 3 35.901 -20.213 26.829 20 H GLU 4 HN GLU 4 31.152 -17.446 26.937 21 HA GLU 4 HA GLU 4 29.479 -18.970 28.631 22 HB2 GLU 4 HB2 GLU 4 29.713 -16.529 28.888 23 HB3 GLU 4 HB1 GLU 4 28.872 -16.278 27.360 24 HG2 GLU 4 HG2 GLU 4 26.870 -17.379 28.257 25 HG3 GLU 4 HG1 GLU 4 27.713 -17.702 29.772 26 H LYS 5 HN LYS 5 29.166 -18.041 25.221 27 HA LYS 5 HA LYS 5 26.499 -18.906 24.885 28 HB2 LYS 5 HB2 LYS 5 28.765 -18.645 22.886 29 HB3 LYS 5 HB1 LYS 5 27.113 -19.069 22.443 30 HG2 LYS 5 HG2 LYS 5 26.291 -16.983 23.457 31 HG3 LYS 5 HG1 LYS 5 27.939 -16.555 23.923 32 HD2 LYS 5 HD2 LYS 5 28.608 -16.573 21.539 33 HD3 LYS 5 HD1 LYS 5 26.949 -16.963 21.084 34 HE2 LYS 5 HE2 LYS 5 27.791 -14.478 22.604 35 HE3 LYS 5 HE1 LYS 5 27.418 -14.532 20.882 36 HZ1 LYS 5 HZ1 LYS 5 25.545 -13.823 22.341 37 HZ2 LYS 5 HZ2 LYS 5 25.521 -15.392 22.992 38 HZ3 LYS 5 HZ3 LYS 5 25.193 -15.148 21.343 39 H LEU 6 HN LEU 6 29.584 -20.629 24.736 40 HA LEU 6 HA LEU 6 28.577 -23.031 23.638 41 HB2 LEU 6 HB2 LEU 6 31.028 -22.464 25.320 42 HB3 LEU 6 HB1 LEU 6 30.630 -24.078 24.749 43 HG LEU 6 HG LEU 6 32.223 -22.842 23.258 44 HD11 LEU 6 HD11 LEU 6 29.714 -23.193 21.643 45 HD12 LEU 6 HD12 LEU 6 30.358 -24.590 22.504 46 HD13 LEU 6 HD13 LEU 6 31.353 -23.751 21.319 47 HD21 LEU 6 HD21 LEU 6 29.861 -21.140 22.455 48 HD22 LEU 6 HD22 LEU 6 31.560 -20.922 22.041 49 HD23 LEU 6 HD23 LEU 6 31.007 -20.608 23.684 50 H THR 7 HN THR 7 28.760 -21.834 26.960 51 HA THR 7 HA THR 7 28.115 -24.248 28.265 52 HB THR 7 HB THR 7 27.348 -21.458 29.163 53 HG1 THR 7 HG1 THR 7 29.420 -21.158 29.156 54 HG21 THR 7 HG21 THR 7 27.379 -22.377 31.361 55 HG22 THR 7 HG22 THR 7 28.171 -23.853 30.814 56 HG23 THR 7 HG23 THR 7 26.489 -23.548 30.390 57 H ALA 8 HN ALA 8 26.209 -25.244 28.695 58 HA ALA 8 HA ALA 8 23.958 -24.623 27.024 59 HB1 ALA 8 HB1 ALA 8 22.901 -26.571 28.014 60 HB2 ALA 8 HB2 ALA 8 24.103 -26.615 29.301 61 HB3 ALA 8 HB3 ALA 8 24.579 -26.957 27.637 62 H ASP 9 HN ASP 9 24.953 -23.057 29.660 63 HA ASP 9 HA ASP 9 22.459 -22.877 31.127 64 HB2 ASP 9 HB2 ASP 9 23.623 -21.289 32.532 65 HB3 ASP 9 HB1 ASP 9 24.683 -22.666 32.236 66 H ALA 10 HN ALA 10 23.297 -21.787 28.195 67 HA ALA 10 HA ALA 10 22.685 -19.032 28.227 68 HB1 ALA 10 HB1 ALA 10 22.280 -21.025 25.973 69 HB2 ALA 10 HB2 ALA 10 23.732 -20.069 26.269 70 HB3 ALA 10 HB3 ALA 10 22.229 -19.271 25.811 71 H GLU 11 HN GLU 11 20.657 -21.863 28.358 72 HA GLU 11 HA GLU 11 18.231 -20.695 27.509 73 HB2 GLU 11 HB2 GLU 11 18.769 -23.030 29.366 74 HB3 GLU 11 HB1 GLU 11 17.152 -22.537 28.866 75 HG2 GLU 11 HG2 GLU 11 17.695 -22.892 26.536 76 HG3 GLU 11 HG1 GLU 11 19.385 -23.201 26.931 77 H LEU 12 HN LEU 12 19.871 -20.730 30.642 78 HA LEU 12 HA LEU 12 17.710 -19.674 32.146 79 HB2 LEU 12 HB2 LEU 12 20.699 -19.599 32.641 80 HB3 LEU 12 HB1 LEU 12 19.517 -18.960 33.774 81 HG LEU 12 HG LEU 12 19.487 -21.817 32.747 82 HD11 LEU 12 HD11 LEU 12 21.539 -21.412 34.017 83 HD12 LEU 12 HD12 LEU 12 20.430 -22.396 34.971 84 HD13 LEU 12 HD13 LEU 12 20.609 -20.678 35.324 85 HD21 LEU 12 HD21 LEU 12 17.331 -21.435 33.570 86 HD22 LEU 12 HD22 LEU 12 17.873 -20.251 34.756 87 HD23 LEU 12 HD23 LEU 12 18.146 -21.968 35.036 88 H GLN 13 HN GLN 13 20.228 -18.184 30.187 89 HA GLN 13 HA GLN 13 19.788 -15.516 31.062 90 HB2 GLN 13 HB2 GLN 13 20.970 -16.593 28.486 91 HB3 GLN 13 HB1 GLN 13 20.899 -14.880 28.883 92 HG2 GLN 13 HG2 GLN 13 22.271 -16.988 30.584 93 HG3 GLN 13 HG1 GLN 13 23.091 -15.896 29.473 94 HE21 GLN 13 HE21 GLN 13 22.783 -16.216 32.648 95 HE22 GLN 13 HE22 GLN 13 22.622 -14.598 33.135 96 H ARG 14 HN ARG 14 18.176 -17.566 28.728 97 HA ARG 14 HA ARG 14 16.839 -15.552 27.277 98 HB2 ARG 14 HB2 ARG 14 16.082 -18.438 27.806 99 HB3 ARG 14 HB1 ARG 14 15.173 -17.370 26.738 100 HG2 ARG 14 HG2 ARG 14 17.187 -16.985 25.383 101 HG3 ARG 14 HG1 ARG 14 18.117 -18.032 26.455 102 HD2 ARG 14 HD2 ARG 14 16.630 -19.923 25.898 103 HD3 ARG 14 HD1 ARG 14 15.710 -18.878 24.816 104 HE ARG 14 HE ARG 14 18.330 -20.029 24.305 105 HH11 ARG 14 HH11 ARG 14 19.145 -19.664 22.217 106 HH12 ARG 14 HH12 ARG 14 18.396 -18.483 21.195 107 HH21 ARG 14 HH21 ARG 14 15.996 -17.594 23.534 108 HH22 ARG 14 HH22 ARG 14 16.613 -17.311 21.940 109 H LEU 15 HN LEU 15 16.062 -17.143 30.346 110 HA LEU 15 HA LEU 15 13.423 -16.156 30.574 111 HB2 LEU 15 HB2 LEU 15 15.411 -16.990 32.707 112 HB3 LEU 15 HB1 LEU 15 13.741 -16.549 33.047 113 HG LEU 15 HG LEU 15 14.556 -18.729 31.101 114 HD11 LEU 15 HD11 LEU 15 13.878 -20.299 32.892 115 HD12 LEU 15 HD12 LEU 15 13.633 -18.934 33.983 116 HD13 LEU 15 HD13 LEU 15 15.250 -19.305 33.386 117 HD21 LEU 15 HD21 LEU 15 12.371 -18.203 30.489 118 HD22 LEU 15 HD22 LEU 15 11.932 -17.638 32.099 119 HD23 LEU 15 HD23 LEU 15 12.045 -19.365 31.770 120 H LYS 16 HN LYS 16 16.559 -14.759 31.403 121 HA LYS 16 HA LYS 16 15.583 -12.553 32.880 122 HB2 LYS 16 HB2 LYS 16 17.962 -13.265 32.893 123 HB3 LYS 16 HB1 LYS 16 18.143 -12.665 31.247 124 HG2 LYS 16 HG2 LYS 16 17.404 -10.404 32.048 125 HG3 LYS 16 HG1 LYS 16 17.390 -11.034 33.692 126 HD2 LYS 16 HD2 LYS 16 19.846 -11.170 31.931 127 HD3 LYS 16 HD1 LYS 16 19.506 -9.784 32.964 128 HE2 LYS 16 HE2 LYS 16 19.359 -11.386 34.917 129 HE3 LYS 16 HE1 LYS 16 19.942 -12.654 33.841 130 HZ1 LYS 16 HZ1 LYS 16 21.911 -11.338 33.398 131 HZ2 LYS 16 HZ2 LYS 16 21.756 -11.649 35.061 132 HZ3 LYS 16 HZ3 LYS 16 21.359 -10.119 34.438 133 H ASN 17 HN ASN 17 16.037 -13.071 29.409 134 HA ASN 17 HA ASN 17 15.171 -10.309 28.842 135 HB2 ASN 17 HB2 ASN 17 16.369 -12.464 27.092 136 HB3 ASN 17 HB1 ASN 17 15.769 -10.928 26.475 137 HD21 ASN 17 HD21 ASN 17 18.561 -11.724 26.332 138 HD22 ASN 17 HD22 ASN 17 19.445 -10.640 27.292 139 H GLU 18 HN GLU 18 13.471 -12.802 29.676 140 HA GLU 18 HA GLU 18 11.818 -13.507 27.517 141 HB2 GLU 18 HB2 GLU 18 10.221 -14.266 29.165 142 HB3 GLU 18 HB1 GLU 18 11.839 -14.652 29.745 143 HG2 GLU 18 HG2 GLU 18 11.781 -12.494 31.065 144 HG3 GLU 18 HG1 GLU 18 10.087 -12.336 30.614 145 H ARG 19 HN ARG 19 12.090 -10.572 29.260 146 HA ARG 19 HA ARG 19 9.472 -9.548 29.001 147 HB2 ARG 19 HB2 ARG 19 10.469 -7.362 29.357 148 HB3 ARG 19 HB1 ARG 19 11.246 -8.531 30.424 149 HG2 ARG 19 HG2 ARG 19 13.047 -8.795 28.660 150 HG3 ARG 19 HG1 ARG 19 12.325 -7.423 27.820 151 HD2 ARG 19 HD2 ARG 19 13.316 -7.374 30.681 152 HD3 ARG 19 HD1 ARG 19 14.203 -6.736 29.300 153 HE ARG 19 HE ARG 19 11.852 -5.550 30.562 154 HH11 ARG 19 HH11 ARG 19 11.349 -3.457 29.841 155 HH12 ARG 19 HH12 ARG 19 12.121 -2.825 28.426 156 HH21 ARG 19 HH21 ARG 19 14.005 -5.678 27.852 157 HH22 ARG 19 HH22 ARG 19 13.623 -4.081 27.299 158 H HIS 20 HN HIS 20 11.990 -10.043 26.702 159 HA HIS 20 HA HIS 20 11.299 -8.092 24.788 160 HB2 HIS 20 HB2 HIS 20 13.410 -9.302 24.609 161 HB3 HIS 20 HB1 HIS 20 12.556 -10.820 24.327 162 HD2 HIS 20 HD2 HIS 20 11.999 -11.279 21.654 163 HE1 HIS 20 HE1 HIS 20 12.611 -7.346 20.246 164 HE2 HIS 20 HE2 HIS 20 12.099 -9.735 19.551 165 H GLU 21 HN GLU 21 10.024 -11.354 25.366 166 HA GLU 21 HA GLU 21 8.452 -11.511 23.026 167 HB2 GLU 21 HB2 GLU 21 8.912 -13.492 24.420 168 HB3 GLU 21 HB1 GLU 21 7.915 -12.830 25.712 169 HG2 GLU 21 HG2 GLU 21 5.955 -12.845 24.235 170 HG3 GLU 21 HG1 GLU 21 6.947 -13.444 22.906 171 H GLU 22 HN GLU 22 7.814 -10.075 26.205 172 HA GLU 22 HA GLU 22 5.059 -9.593 25.804 173 HB2 GLU 22 HB2 GLU 22 6.100 -9.421 28.034 174 HB3 GLU 22 HB1 GLU 22 6.989 -7.991 27.519 175 HG2 GLU 22 HG2 GLU 22 4.880 -6.808 27.093 176 HG3 GLU 22 HG1 GLU 22 3.970 -8.248 27.543 177 H ALA 23 HN ALA 23 7.939 -7.737 24.901 178 HA ALA 23 HA ALA 23 6.595 -5.380 24.098 179 HB1 ALA 23 HB1 ALA 23 9.030 -5.415 24.411 180 HB2 ALA 23 HB2 ALA 23 8.619 -4.877 22.784 181 HB3 ALA 23 HB3 ALA 23 9.205 -6.518 23.043 182 H GLU 24 HN GLU 24 6.979 -8.488 22.571 183 HA GLU 24 HA GLU 24 6.478 -7.712 19.901 184 HB2 GLU 24 HB2 GLU 24 7.345 -9.951 20.468 185 HB3 GLU 24 HB1 GLU 24 5.801 -10.369 21.211 186 HG2 GLU 24 HG2 GLU 24 4.655 -10.044 19.069 187 HG3 GLU 24 HG1 GLU 24 6.170 -9.552 18.317 188 H LEU 25 HN LEU 25 4.287 -8.457 22.588 189 HA LEU 25 HA LEU 25 1.907 -8.520 21.073 190 HB2 LEU 25 HB2 LEU 25 2.413 -7.899 23.993 191 HB3 LEU 25 HB1 LEU 25 0.799 -7.893 23.289 192 HG LEU 25 HG LEU 25 1.142 -10.224 22.515 193 HD11 LEU 25 HD11 LEU 25 3.465 -10.485 22.240 194 HD12 LEU 25 HD12 LEU 25 3.144 -11.406 23.707 195 HD13 LEU 25 HD13 LEU 25 3.829 -9.784 23.816 196 HD21 LEU 25 HD21 LEU 25 1.591 -9.687 25.466 197 HD22 LEU 25 HD22 LEU 25 1.125 -11.256 24.808 198 HD23 LEU 25 HD23 LEU 25 0.040 -9.876 24.650 199 H GLU 26 HN GLU 26 3.735 -5.845 22.492 200 HA GLU 26 HA GLU 26 1.773 -3.847 22.113 201 HB2 GLU 26 HB2 GLU 26 3.748 -3.473 23.542 202 HB3 GLU 26 HB1 GLU 26 4.794 -3.505 22.123 203 HG2 GLU 26 HG2 GLU 26 3.620 -1.563 21.189 204 HG3 GLU 26 HG1 GLU 26 2.518 -1.552 22.564 205 H ARG 27 HN ARG 27 4.249 -5.170 19.947 206 HA ARG 27 HA ARG 27 3.972 -3.255 17.910 207 HB2 ARG 27 HB2 ARG 27 5.870 -4.748 17.859 208 HB3 ARG 27 HB1 ARG 27 4.832 -6.163 17.743 209 HG2 ARG 27 HG2 ARG 27 5.784 -5.608 15.552 210 HG3 ARG 27 HG1 ARG 27 4.040 -5.394 15.522 211 HD2 ARG 27 HD2 ARG 27 4.261 -2.999 15.693 212 HD3 ARG 27 HD1 ARG 27 5.987 -3.126 16.026 213 HE ARG 27 HE ARG 27 5.553 -4.338 13.557 214 HH11 ARG 27 HH11 ARG 27 5.851 -3.175 11.630 215 HH12 ARG 27 HH12 ARG 27 5.770 -1.445 11.647 216 HH21 ARG 27 HH21 ARG 27 5.137 -1.245 15.050 217 HH22 ARG 27 HH22 ARG 27 5.366 -0.352 13.583 218 H LEU 28 HN LEU 28 2.151 -6.211 18.603 219 HA LEU 28 HA LEU 28 0.644 -6.228 16.205 220 HB2 LEU 28 HB2 LEU 28 0.042 -7.395 18.937 221 HB3 LEU 28 HB1 LEU 28 -1.005 -7.615 17.540 222 HG LEU 28 HG LEU 28 1.937 -8.360 17.570 223 HD11 LEU 28 HD11 LEU 28 1.174 -10.677 17.856 224 HD12 LEU 28 HD12 LEU 28 -0.497 -10.126 17.955 225 HD13 LEU 28 HD13 LEU 28 0.653 -9.685 19.217 226 HD21 LEU 28 HD21 LEU 28 -0.315 -8.624 15.584 227 HD22 LEU 28 HD22 LEU 28 0.920 -9.882 15.634 228 HD23 LEU 28 HD23 LEU 28 1.378 -8.216 15.308 229 H LYS 29 HN LYS 29 0.211 -4.564 19.288 230 HA LYS 29 HA LYS 29 -2.437 -3.689 18.860 231 HB2 LYS 29 HB2 LYS 29 -1.367 -3.540 21.071 232 HB3 LYS 29 HB1 LYS 29 -0.256 -2.313 20.469 233 HG2 LYS 29 HG2 LYS 29 -2.158 -0.828 19.962 234 HG3 LYS 29 HG1 LYS 29 -3.278 -2.063 20.540 235 HD2 LYS 29 HD2 LYS 29 -2.240 -1.961 22.774 236 HD3 LYS 29 HD1 LYS 29 -1.117 -0.731 22.199 237 HE2 LYS 29 HE2 LYS 29 -3.006 0.767 21.688 238 HE3 LYS 29 HE1 LYS 29 -4.136 -0.463 22.254 239 HZ1 LYS 29 HZ1 LYS 29 -2.232 1.158 23.801 240 HZ2 LYS 29 HZ2 LYS 29 -2.705 -0.366 24.387 241 HZ3 LYS 29 HZ3 LYS 29 -3.870 0.840 24.109 242 H SER 30 HN SER 30 0.681 -2.336 17.838 243 HA SER 30 HA SER 30 -0.305 0.133 16.902 244 HB2 SER 30 HB2 SER 30 2.116 -1.463 16.017 245 HB3 SER 30 HB1 SER 30 1.757 0.174 15.481 246 HG SER 30 HG SER 30 1.656 0.683 17.794 247 H GLU 31 HN GLU 31 -0.125 -3.059 15.372 248 HA GLU 31 HA GLU 31 -0.779 -2.212 12.758 249 HB2 GLU 31 HB2 GLU 31 0.114 -4.462 13.203 250 HB3 GLU 31 HB1 GLU 31 -1.365 -4.896 14.052 251 HG2 GLU 31 HG2 GLU 31 -1.450 -5.738 11.763 252 HG3 GLU 31 HG1 GLU 31 -2.657 -4.473 11.966 253 H ALA 32 HN ALA 32 -2.769 -3.036 15.565 254 HA ALA 32 HA ALA 32 -5.276 -3.095 14.263 255 HB1 ALA 32 HB1 ALA 32 -6.249 -2.736 16.491 256 HB2 ALA 32 HB2 ALA 32 -4.661 -2.314 17.130 257 HB3 ALA 32 HB3 ALA 32 -4.974 -3.952 16.548 258 H ALA 33 HN ALA 33 -3.195 -0.475 15.139 259 HA ALA 33 HA ALA 33 -5.086 1.602 15.386 260 HB1 ALA 33 HB1 ALA 33 -3.250 3.144 14.935 261 HB2 ALA 33 HB2 ALA 33 -2.254 1.826 14.324 262 HB3 ALA 33 HB3 ALA 33 -2.711 1.873 16.028 263 H ASP 34 HN ASP 34 -3.818 -0.028 12.567 264 HA ASP 34 HA ASP 34 -4.428 1.935 10.639 265 HB2 ASP 34 HB2 ASP 34 -3.037 -0.043 10.121 266 HB3 ASP 34 HB1 ASP 34 -4.458 -1.077 10.252 267 H HIS 35 HN HIS 35 -6.443 -0.566 12.148 268 HA HIS 35 HA HIS 35 -8.691 -0.134 10.437 269 HB2 HIS 35 HB2 HIS 35 -8.490 -1.409 13.181 270 HB3 HIS 35 HB1 HIS 35 -9.961 -1.372 12.209 271 HD2 HIS 35 HD2 HIS 35 -6.819 -3.526 12.553 272 HE1 HIS 35 HE1 HIS 35 -8.522 -4.533 8.824 273 HE2 HIS 35 HE2 HIS 35 -6.785 -5.204 10.552 274 H ASP 36 HN ASP 36 -7.513 1.372 13.368 275 HA ASP 36 HA ASP 36 -9.899 2.654 14.165 276 HB2 ASP 36 HB2 ASP 36 -6.997 3.392 14.619 277 HB3 ASP 36 HB1 ASP 36 -8.341 4.303 15.300 278 H LYS 37 HN LYS 37 -7.469 3.474 11.753 279 HA LYS 37 HA LYS 37 -8.201 6.158 11.340 280 HB2 LYS 37 HB2 LYS 37 -6.134 5.224 10.394 281 HB3 LYS 37 HB1 LYS 37 -7.069 4.201 9.307 282 HG2 LYS 37 HG2 LYS 37 -8.049 6.202 8.252 283 HG3 LYS 37 HG1 LYS 37 -7.140 7.233 9.358 284 HD2 LYS 37 HD2 LYS 37 -5.028 6.365 8.466 285 HD3 LYS 37 HD1 LYS 37 -5.909 5.275 7.398 286 HE2 LYS 37 HE2 LYS 37 -5.218 7.268 6.154 287 HE3 LYS 37 HE1 LYS 37 -6.974 7.240 6.308 288 HZ1 LYS 37 HZ1 LYS 37 -5.413 8.607 8.376 289 HZ2 LYS 37 HZ2 LYS 37 -6.972 8.948 7.793 290 HZ3 LYS 37 HZ3 LYS 37 -5.607 9.377 6.877 291 H LYS 38 HN LYS 38 -9.552 3.150 10.002 292 HA LYS 38 HA LYS 38 -11.248 4.388 8.110 293 HB2 LYS 38 HB2 LYS 38 -11.470 1.713 9.521 294 HB3 LYS 38 HB1 LYS 38 -12.584 2.250 8.265 295 HG2 LYS 38 HG2 LYS 38 -10.705 2.524 6.699 296 HG3 LYS 38 HG1 LYS 38 -9.580 1.998 7.952 297 HD2 LYS 38 HD2 LYS 38 -10.730 -0.180 8.079 298 HD3 LYS 38 HD1 LYS 38 -11.861 0.342 6.830 299 HE2 LYS 38 HE2 LYS 38 -9.993 0.617 5.244 300 HE3 LYS 38 HE1 LYS 38 -8.854 0.106 6.491 301 HZ1 LYS 38 HZ1 LYS 38 -10.323 -1.966 6.632 302 HZ2 LYS 38 HZ2 LYS 38 -9.276 -1.821 5.301 303 HZ3 LYS 38 HZ3 LYS 38 -10.932 -1.484 5.124 304 H GLU 39 HN GLU 39 -11.641 3.682 11.556 305 HA GLU 39 HA GLU 39 -14.412 4.311 11.685 306 HB2 GLU 39 HB2 GLU 39 -12.281 4.353 13.844 307 HB3 GLU 39 HB1 GLU 39 -14.014 4.513 14.134 308 HG2 GLU 39 HG2 GLU 39 -12.766 2.159 12.695 309 HG3 GLU 39 HG1 GLU 39 -13.138 2.167 14.418 310 H ALA 40 HN ALA 40 -11.505 6.242 11.689 311 HA ALA 40 HA ALA 40 -12.845 8.629 12.670 312 HB1 ALA 40 HB1 ALA 40 -10.118 8.441 11.371 313 HB2 ALA 40 HB2 ALA 40 -10.405 8.152 13.088 314 HB3 ALA 40 HB3 ALA 40 -10.734 9.738 12.393 315 H GLU 41 HN GLU 41 -12.405 7.073 9.649 316 HA GLU 41 HA GLU 41 -12.379 9.319 7.940 317 HB2 GLU 41 HB2 GLU 41 -11.783 7.081 7.127 318 HB3 GLU 41 HB1 GLU 41 -13.446 6.541 7.339 319 HG2 GLU 41 HG2 GLU 41 -14.221 8.202 5.711 320 HG3 GLU 41 HG1 GLU 41 -12.580 8.823 5.541 321 H ARG 42 HN ARG 42 -15.124 7.502 9.336 322 HA ARG 42 HA ARG 42 -17.085 8.943 7.839 323 HB2 ARG 42 HB2 ARG 42 -18.706 7.942 9.396 324 HB3 ARG 42 HB1 ARG 42 -17.580 6.738 8.772 325 HG2 ARG 42 HG2 ARG 42 -16.257 6.864 10.818 326 HG3 ARG 42 HG1 ARG 42 -17.300 8.137 11.450 327 HD2 ARG 42 HD2 ARG 42 -18.257 5.360 10.710 328 HD3 ARG 42 HD1 ARG 42 -17.851 5.864 12.348 329 HE ARG 42 HE ARG 42 -19.703 7.708 11.359 330 HH11 ARG 42 HH11 ARG 42 -21.906 7.491 11.874 331 HH12 ARG 42 HH12 ARG 42 -22.530 5.947 12.353 332 HH21 ARG 42 HH21 ARG 42 -19.475 4.330 12.072 333 HH22 ARG 42 HH22 ARG 42 -21.153 4.158 12.465 334 H LYS 43 HN LYS 43 -15.359 9.533 10.795 335 HA LYS 43 HA LYS 43 -17.154 11.472 11.883 336 HB2 LYS 43 HB2 LYS 43 -14.217 10.954 12.400 337 HB3 LYS 43 HB1 LYS 43 -15.182 12.130 13.291 338 HG2 LYS 43 HG2 LYS 43 -16.747 10.345 13.968 339 HG3 LYS 43 HG1 LYS 43 -15.781 9.164 13.085 340 HD2 LYS 43 HD2 LYS 43 -13.838 9.670 14.519 341 HD3 LYS 43 HD1 LYS 43 -14.800 10.854 15.404 342 HE2 LYS 43 HE2 LYS 43 -16.367 9.080 16.089 343 HE3 LYS 43 HE1 LYS 43 -15.415 7.891 15.200 344 HZ1 LYS 43 HZ1 LYS 43 -13.498 8.856 16.654 345 HZ2 LYS 43 HZ2 LYS 43 -14.546 7.676 17.284 346 HZ3 LYS 43 HZ3 LYS 43 -14.767 9.314 17.682 347 H ALA 44 HN ALA 44 -14.787 11.569 9.384 348 HA ALA 44 HA ALA 44 -14.042 14.285 9.491 349 HB1 ALA 44 HB1 ALA 44 -12.858 12.704 8.041 350 HB2 ALA 44 HB2 ALA 44 -13.475 14.059 7.097 351 HB3 ALA 44 HB3 ALA 44 -14.302 12.504 7.047 352 H LEU 45 HN LEU 45 -16.974 12.747 8.440 353 HA LEU 45 HA LEU 45 -17.974 14.811 6.793 354 HB2 LEU 45 HB2 LEU 45 -18.996 12.587 6.773 355 HB3 LEU 45 HB1 LEU 45 -19.522 12.778 8.440 356 HG LEU 45 HG LEU 45 -20.925 14.707 7.773 357 HD11 LEU 45 HD11 LEU 45 -19.656 14.138 5.099 358 HD12 LEU 45 HD12 LEU 45 -19.921 15.689 5.897 359 HD13 LEU 45 HD13 LEU 45 -21.276 14.835 5.167 360 HD21 LEU 45 HD21 LEU 45 -21.325 12.156 6.182 361 HD22 LEU 45 HD22 LEU 45 -22.564 13.388 6.411 362 HD23 LEU 45 HD23 LEU 45 -21.942 12.498 7.799 363 H GLU 46 HN GLU 46 -18.112 14.304 10.302 364 HA GLU 46 HA GLU 46 -19.929 16.390 10.865 365 HB2 GLU 46 HB2 GLU 46 -19.388 14.673 12.538 366 HB3 GLU 46 HB1 GLU 46 -17.734 15.267 12.645 367 HG2 GLU 46 HG2 GLU 46 -19.059 16.164 14.485 368 HG3 GLU 46 HG1 GLU 46 -18.601 17.472 13.402 369 H ASP 47 HN ASP 47 -16.409 16.368 10.447 370 HA ASP 47 HA ASP 47 -15.988 19.046 11.301 371 HB2 ASP 47 HB2 ASP 47 -14.371 17.232 9.496 372 HB3 ASP 47 HB1 ASP 47 -13.849 18.846 9.973 373 H LYS 48 HN LYS 48 -17.191 17.643 8.375 374 HA LYS 48 HA LYS 48 -17.927 18.565 6.379 375 HB2 LYS 48 HB2 LYS 48 -18.063 21.052 8.094 376 HB3 LYS 48 HB1 LYS 48 -18.811 20.867 6.509 377 HG2 LYS 48 HG2 LYS 48 -20.054 18.867 7.413 378 HG3 LYS 48 HG1 LYS 48 -19.433 19.275 9.010 379 HD2 LYS 48 HD2 LYS 48 -21.010 21.225 7.314 380 HD3 LYS 48 HD1 LYS 48 -21.762 20.156 8.495 381 HE2 LYS 48 HE2 LYS 48 -20.215 21.133 10.239 382 HE3 LYS 48 HE1 LYS 48 -19.708 22.318 9.036 383 HZ1 LYS 48 HZ1 LYS 48 -22.468 21.905 10.034 384 HZ2 LYS 48 HZ2 LYS 48 -22.037 22.979 8.790 385 HZ3 LYS 48 HZ3 LYS 48 -21.461 23.226 10.370 386 H LEU 49 HN LEU 49 -15.114 18.345 6.624 387 HA LEU 49 HA LEU 49 -13.744 20.735 6.001 388 HB2 LEU 49 HB2 LEU 49 -13.055 17.852 5.353 389 HB3 LEU 49 HB1 LEU 49 -11.977 19.209 5.057 390 HG LEU 49 HG LEU 49 -13.150 18.530 7.766 391 HD11 LEU 49 HD11 LEU 49 -10.925 17.631 8.302 392 HD12 LEU 49 HD12 LEU 49 -10.384 17.965 6.657 393 HD13 LEU 49 HD13 LEU 49 -11.636 16.756 6.946 394 HD21 LEU 49 HD21 LEU 49 -11.281 20.651 6.736 395 HD22 LEU 49 HD22 LEU 49 -10.998 20.007 8.351 396 HD23 LEU 49 HD23 LEU 49 -12.537 20.766 7.968 397 H ALA 50 HN ALA 50 -15.466 18.394 3.985 398 HA ALA 50 HA ALA 50 -16.098 18.476 1.758 399 HB1 ALA 50 HB1 ALA 50 -16.698 20.601 0.881 400 HB2 ALA 50 HB2 ALA 50 -15.547 21.442 1.918 401 HB3 ALA 50 HB3 ALA 50 -16.989 20.705 2.616 402 H ASP 51 HN ASP 51 -13.274 18.082 2.475 403 HA ASP 51 HA ASP 51 -11.563 19.514 0.752 404 HB2 ASP 51 HB2 ASP 51 -11.296 16.758 1.983 405 HB3 ASP 51 HB1 ASP 51 -10.035 17.506 1.007 406 H TYR 52 HN TYR 52 -13.534 16.617 0.233 407 HA TYR 52 HA TYR 52 -13.453 17.015 -2.611 408 HB2 TYR 52 HB2 TYR 52 -11.317 15.883 -2.400 409 HB3 TYR 52 HB1 TYR 52 -12.046 14.614 -1.417 410 HD1 TYR 52 HD1 TYR 52 -12.157 16.203 -4.794 411 HD2 TYR 52 HD2 TYR 52 -13.082 12.737 -2.432 412 HE1 TYR 52 HE1 TYR 52 -12.756 14.959 -6.854 413 HE2 TYR 52 HE2 TYR 52 -13.680 11.493 -4.492 414 HH TYR 52 HH TYR 52 -12.963 12.694 -7.637 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 22.285 -6.684 49.088 2 H2 GLY 1 HT2 GLY 1 22.890 -7.249 47.603 3 H3 GLY 1 HT3 GLY 1 23.090 -5.619 48.041 4 HA2 GLY 1 HA2 GLY 1 24.727 -6.066 49.577 5 HA3 GLY 1 HA1 GLY 1 24.205 -7.743 49.747 6 H SER 2 HN SER 2 26.884 -6.840 49.181 7 HA SER 2 HA SER 2 27.550 -7.051 46.443 8 HB2 SER 2 HB2 SER 2 29.833 -7.411 47.221 9 HB3 SER 2 HB1 SER 2 29.072 -6.140 48.174 10 HG SER 2 HG SER 2 29.781 -8.749 48.873 11 H VAL 3 HN VAL 3 26.715 -9.406 48.826 12 HA VAL 3 HA VAL 3 27.985 -11.668 47.691 13 HB VAL 3 HB VAL 3 25.536 -11.439 49.470 14 HG11 VAL 3 HG11 VAL 3 26.944 -13.876 48.352 15 HG12 VAL 3 HG12 VAL 3 25.227 -13.487 48.261 16 HG13 VAL 3 HG13 VAL 3 25.948 -13.935 49.806 17 HG21 VAL 3 HG21 VAL 3 27.612 -10.852 50.584 18 HG22 VAL 3 HG22 VAL 3 28.428 -12.258 49.902 19 HG23 VAL 3 HG23 VAL 3 27.158 -12.474 51.105 20 H GLU 4 HN GLU 4 24.827 -10.163 47.086 21 HA GLU 4 HA GLU 4 23.263 -10.527 45.413 22 HB2 GLU 4 HB2 GLU 4 25.791 -11.365 43.971 23 HB3 GLU 4 HB1 GLU 4 24.233 -11.092 43.187 24 HG2 GLU 4 HG2 GLU 4 24.217 -8.771 44.000 25 HG3 GLU 4 HG1 GLU 4 25.757 -9.037 44.816 26 H LYS 5 HN LYS 5 23.749 -12.689 47.318 27 HA LYS 5 HA LYS 5 23.195 -14.919 47.639 28 HB2 LYS 5 HB2 LYS 5 21.651 -14.392 45.088 29 HB3 LYS 5 HB1 LYS 5 21.426 -15.789 46.141 30 HG2 LYS 5 HG2 LYS 5 20.854 -14.289 48.015 31 HG3 LYS 5 HG1 LYS 5 21.068 -12.892 46.961 32 HD2 LYS 5 HD2 LYS 5 19.280 -13.753 45.476 33 HD3 LYS 5 HD1 LYS 5 19.043 -15.115 46.571 34 HE2 LYS 5 HE2 LYS 5 18.738 -12.197 47.337 35 HE3 LYS 5 HE1 LYS 5 17.404 -13.296 46.989 36 HZ1 LYS 5 HZ1 LYS 5 17.543 -13.512 49.238 37 HZ2 LYS 5 HZ2 LYS 5 19.220 -13.236 49.288 38 HZ3 LYS 5 HZ3 LYS 5 18.617 -14.743 48.781 39 H LEU 6 HN LEU 6 25.678 -14.404 46.277 40 HA LEU 6 HA LEU 6 27.324 -15.546 45.105 41 HB2 LEU 6 HB2 LEU 6 25.433 -17.907 45.327 42 HB3 LEU 6 HB1 LEU 6 27.157 -17.970 44.982 43 HG LEU 6 HG LEU 6 25.910 -16.944 47.554 44 HD11 LEU 6 HD11 LEU 6 26.996 -18.968 48.526 45 HD12 LEU 6 HD12 LEU 6 27.430 -19.482 46.894 46 HD13 LEU 6 HD13 LEU 6 25.733 -19.364 47.358 47 HD21 LEU 6 HD21 LEU 6 28.426 -17.159 48.250 48 HD22 LEU 6 HD22 LEU 6 27.930 -15.740 47.332 49 HD23 LEU 6 HD23 LEU 6 28.746 -17.075 46.518 50 H THR 7 HN THR 7 25.092 -14.192 43.697 51 HA THR 7 HA THR 7 24.361 -13.893 41.520 52 HB THR 7 HB THR 7 25.868 -14.418 39.800 53 HG1 THR 7 HG1 THR 7 27.540 -16.160 40.606 54 HG21 THR 7 HG21 THR 7 27.689 -14.537 42.205 55 HG22 THR 7 HG22 THR 7 26.823 -13.066 41.763 56 HG23 THR 7 HG23 THR 7 27.990 -13.773 40.645 57 H ALA 8 HN ALA 8 23.963 -16.619 43.193 58 HA ALA 8 HA ALA 8 23.180 -18.549 41.274 59 HB1 ALA 8 HB1 ALA 8 21.953 -19.634 43.107 60 HB2 ALA 8 HB2 ALA 8 22.152 -18.199 44.109 61 HB3 ALA 8 HB3 ALA 8 23.562 -19.149 43.633 62 H ASP 9 HN ASP 9 21.644 -15.681 42.463 63 HA ASP 9 HA ASP 9 18.998 -16.446 41.491 64 HB2 ASP 9 HB2 ASP 9 18.289 -14.286 42.347 65 HB3 ASP 9 HB1 ASP 9 19.260 -15.107 43.566 66 H ALA 10 HN ALA 10 21.680 -15.703 39.938 67 HA ALA 10 HA ALA 10 21.068 -13.495 38.298 68 HB1 ALA 10 HB1 ALA 10 22.829 -15.901 37.731 69 HB2 ALA 10 HB2 ALA 10 23.333 -14.319 38.323 70 HB3 ALA 10 HB3 ALA 10 22.712 -14.489 36.684 71 H GLU 11 HN GLU 11 20.135 -16.892 38.079 72 HA GLU 11 HA GLU 11 19.168 -16.850 35.430 73 HB2 GLU 11 HB2 GLU 11 18.350 -18.568 37.792 74 HB3 GLU 11 HB1 GLU 11 17.790 -18.822 36.139 75 HG2 GLU 11 HG2 GLU 11 20.716 -18.711 36.909 76 HG3 GLU 11 HG1 GLU 11 19.797 -20.211 36.793 77 H LEU 12 HN LEU 12 17.704 -15.864 38.485 78 HA LEU 12 HA LEU 12 15.046 -15.633 37.546 79 HB2 LEU 12 HB2 LEU 12 16.472 -14.233 39.821 80 HB3 LEU 12 HB1 LEU 12 14.763 -14.006 39.473 81 HG LEU 12 HG LEU 12 16.032 -16.718 39.974 82 HD11 LEU 12 HD11 LEU 12 15.123 -16.580 42.226 83 HD12 LEU 12 HD12 LEU 12 14.426 -14.996 41.883 84 HD13 LEU 12 HD13 LEU 12 16.176 -15.195 41.948 85 HD21 LEU 12 HD21 LEU 12 13.458 -17.104 40.554 86 HD22 LEU 12 HD22 LEU 12 14.019 -17.195 38.890 87 HD23 LEU 12 HD23 LEU 12 13.230 -15.730 39.471 88 H GLN 13 HN GLN 13 17.805 -13.437 37.399 89 HA GLN 13 HA GLN 13 16.389 -11.122 36.631 90 HB2 GLN 13 HB2 GLN 13 18.758 -11.058 37.347 91 HB3 GLN 13 HB1 GLN 13 19.230 -11.865 35.851 92 HG2 GLN 13 HG2 GLN 13 18.320 -10.013 34.535 93 HG3 GLN 13 HG1 GLN 13 17.755 -9.220 36.004 94 HE21 GLN 13 HE21 GLN 13 19.439 -7.665 34.563 95 HE22 GLN 13 HE22 GLN 13 20.999 -7.639 35.230 96 H ARG 14 HN ARG 14 17.587 -13.863 34.732 97 HA ARG 14 HA ARG 14 17.166 -12.721 32.186 98 HB2 ARG 14 HB2 ARG 14 17.203 -15.616 33.083 99 HB3 ARG 14 HB1 ARG 14 17.043 -15.122 31.398 100 HG2 ARG 14 HG2 ARG 14 19.166 -13.900 31.533 101 HG3 ARG 14 HG1 ARG 14 19.325 -14.340 33.233 102 HD2 ARG 14 HD2 ARG 14 19.392 -16.718 32.631 103 HD3 ARG 14 HD1 ARG 14 19.178 -16.308 30.932 104 HE ARG 14 HE ARG 14 21.419 -15.667 30.844 105 HH11 ARG 14 HH11 ARG 14 23.507 -15.541 31.727 106 HH12 ARG 14 HH12 ARG 14 23.730 -15.708 33.436 107 HH21 ARG 14 HH21 ARG 14 20.356 -16.148 34.102 108 HH22 ARG 14 HH22 ARG 14 21.946 -16.052 34.782 109 H LEU 15 HN LEU 15 14.987 -14.387 34.412 110 HA LEU 15 HA LEU 15 12.835 -14.698 32.571 111 HB2 LEU 15 HB2 LEU 15 12.819 -14.572 35.597 112 HB3 LEU 15 HB1 LEU 15 11.463 -15.086 34.596 113 HG LEU 15 HG LEU 15 14.196 -16.407 34.610 114 HD11 LEU 15 HD11 LEU 15 11.575 -17.331 35.830 115 HD12 LEU 15 HD12 LEU 15 12.946 -16.696 36.739 116 HD13 LEU 15 HD13 LEU 15 13.101 -18.213 35.854 117 HD21 LEU 15 HD21 LEU 15 12.636 -18.256 33.503 118 HD22 LEU 15 HD22 LEU 15 13.304 -16.958 32.520 119 HD23 LEU 15 HD23 LEU 15 11.635 -16.864 33.085 120 H LYS 16 HN LYS 16 14.016 -12.007 34.387 121 HA LYS 16 HA LYS 16 11.635 -10.505 34.644 122 HB2 LYS 16 HB2 LYS 16 14.477 -9.509 34.308 123 HB3 LYS 16 HB1 LYS 16 13.119 -8.560 34.899 124 HG2 LYS 16 HG2 LYS 16 14.075 -11.102 36.240 125 HG3 LYS 16 HG1 LYS 16 14.634 -9.499 36.701 126 HD2 LYS 16 HD2 LYS 16 12.202 -8.871 37.078 127 HD3 LYS 16 HD1 LYS 16 11.805 -10.575 36.867 128 HE2 LYS 16 HE2 LYS 16 13.323 -11.175 38.705 129 HE3 LYS 16 HE1 LYS 16 13.725 -9.474 38.931 130 HZ1 LYS 16 HZ1 LYS 16 11.712 -9.018 39.834 131 HZ2 LYS 16 HZ2 LYS 16 11.824 -10.647 40.301 132 HZ3 LYS 16 HZ3 LYS 16 10.899 -10.210 38.944 133 H ASN 17 HN ASN 17 13.703 -11.123 31.896 134 HA ASN 17 HA ASN 17 12.675 -8.875 30.363 135 HB2 ASN 17 HB2 ASN 17 14.097 -9.688 28.580 136 HB3 ASN 17 HB1 ASN 17 15.003 -9.686 30.092 137 HD21 ASN 17 HD21 ASN 17 16.347 -11.361 28.806 138 HD22 ASN 17 HD22 ASN 17 15.841 -12.979 28.883 139 H GLU 18 HN GLU 18 11.409 -11.835 31.175 140 HA GLU 18 HA GLU 18 9.841 -13.266 30.211 141 HB2 GLU 18 HB2 GLU 18 8.694 -10.987 30.707 142 HB3 GLU 18 HB1 GLU 18 8.728 -10.755 28.961 143 HG2 GLU 18 HG2 GLU 18 7.465 -12.831 28.631 144 HG3 GLU 18 HG1 GLU 18 7.505 -13.154 30.362 145 H ARG 19 HN ARG 19 12.270 -12.751 28.602 146 HA ARG 19 HA ARG 19 13.079 -13.142 26.467 147 HB2 ARG 19 HB2 ARG 19 10.447 -14.627 26.296 148 HB3 ARG 19 HB1 ARG 19 11.759 -14.771 25.125 149 HG2 ARG 19 HG2 ARG 19 13.256 -15.638 26.813 150 HG3 ARG 19 HG1 ARG 19 12.083 -15.310 28.089 151 HD2 ARG 19 HD2 ARG 19 11.609 -17.217 25.784 152 HD3 ARG 19 HD1 ARG 19 12.130 -17.713 27.390 153 HE ARG 19 HE ARG 19 9.817 -16.172 27.708 154 HH11 ARG 19 HH11 ARG 19 7.806 -17.197 27.964 155 HH12 ARG 19 HH12 ARG 19 7.591 -18.822 27.404 156 HH21 ARG 19 HH21 ARG 19 10.841 -19.129 26.233 157 HH22 ARG 19 HH22 ARG 19 9.310 -19.917 26.424 158 H HIS 20 HN HIS 20 11.859 -10.668 26.836 159 HA HIS 20 HA HIS 20 10.816 -8.902 25.735 160 HB2 HIS 20 HB2 HIS 20 11.644 -8.628 23.427 161 HB3 HIS 20 HB1 HIS 20 12.931 -9.090 24.540 162 HD2 HIS 20 HD2 HIS 20 14.128 -11.571 23.987 163 HE1 HIS 20 HE1 HIS 20 11.636 -12.627 20.749 164 HE2 HIS 20 HE2 HIS 20 13.718 -13.272 22.049 165 H GLU 21 HN GLU 21 9.307 -11.624 25.729 166 HA GLU 21 HA GLU 21 7.859 -11.729 23.286 167 HB2 GLU 21 HB2 GLU 21 7.207 -12.822 26.033 168 HB3 GLU 21 HB1 GLU 21 6.143 -13.031 24.643 169 HG2 GLU 21 HG2 GLU 21 7.841 -14.208 23.417 170 HG3 GLU 21 HG1 GLU 21 9.064 -13.819 24.620 171 H GLU 22 HN GLU 22 7.262 -9.984 26.320 172 HA GLU 22 HA GLU 22 4.657 -9.112 25.673 173 HB2 GLU 22 HB2 GLU 22 5.549 -8.957 27.967 174 HB3 GLU 22 HB1 GLU 22 6.690 -7.718 27.449 175 HG2 GLU 22 HG2 GLU 22 4.834 -6.253 26.795 176 HG3 GLU 22 HG1 GLU 22 3.674 -7.502 27.241 177 H ALA 23 HN ALA 23 7.850 -7.774 24.906 178 HA ALA 23 HA ALA 23 6.947 -5.302 23.889 179 HB1 ALA 23 HB1 ALA 23 9.441 -6.909 23.280 180 HB2 ALA 23 HB2 ALA 23 9.283 -5.474 24.290 181 HB3 ALA 23 HB3 ALA 23 9.108 -5.343 22.543 182 H GLU 24 HN GLU 24 7.227 -8.496 22.380 183 HA GLU 24 HA GLU 24 6.729 -7.623 19.728 184 HB2 GLU 24 HB2 GLU 24 6.313 -10.327 21.033 185 HB3 GLU 24 HB1 GLU 24 6.027 -10.018 19.322 186 HG2 GLU 24 HG2 GLU 24 8.661 -9.423 20.699 187 HG3 GLU 24 HG1 GLU 24 8.321 -10.930 19.854 188 H LEU 25 HN LEU 25 4.601 -8.498 22.406 189 HA LEU 25 HA LEU 25 2.203 -8.592 20.919 190 HB2 LEU 25 HB2 LEU 25 2.314 -9.518 23.183 191 HB3 LEU 25 HB1 LEU 25 2.587 -7.915 23.856 192 HG LEU 25 HG LEU 25 0.378 -7.185 23.001 193 HD11 LEU 25 HD11 LEU 25 0.387 -9.983 21.877 194 HD12 LEU 25 HD12 LEU 25 -0.103 -8.474 21.104 195 HD13 LEU 25 HD13 LEU 25 -1.144 -9.220 22.309 196 HD21 LEU 25 HD21 LEU 25 0.501 -8.055 25.268 197 HD22 LEU 25 HD22 LEU 25 0.397 -9.712 24.677 198 HD23 LEU 25 HD23 LEU 25 -0.991 -8.634 24.525 199 H GLU 26 HN GLU 26 3.934 -5.907 22.454 200 HA GLU 26 HA GLU 26 1.906 -3.970 22.134 201 HB2 GLU 26 HB2 GLU 26 3.855 -3.587 23.593 202 HB3 GLU 26 HB1 GLU 26 4.911 -3.517 22.184 203 HG2 GLU 26 HG2 GLU 26 3.670 -1.580 21.325 204 HG3 GLU 26 HG1 GLU 26 2.562 -1.670 22.694 205 H ARG 27 HN ARG 27 4.450 -5.096 19.928 206 HA ARG 27 HA ARG 27 4.085 -3.100 17.964 207 HB2 ARG 27 HB2 ARG 27 6.056 -4.562 17.933 208 HB3 ARG 27 HB1 ARG 27 5.041 -5.958 17.571 209 HG2 ARG 27 HG2 ARG 27 4.356 -4.979 15.457 210 HG3 ARG 27 HG1 ARG 27 5.202 -3.478 15.836 211 HD2 ARG 27 HD2 ARG 27 6.563 -4.840 14.325 212 HD3 ARG 27 HD1 ARG 27 7.346 -4.723 15.898 213 HE ARG 27 HE ARG 27 5.687 -7.041 15.764 214 HH11 ARG 27 HH11 ARG 27 6.730 -9.051 15.577 215 HH12 ARG 27 HH12 ARG 27 8.378 -9.120 15.047 216 HH21 ARG 27 HH21 ARG 27 8.683 -5.684 14.687 217 HH22 ARG 27 HH22 ARG 27 9.483 -7.213 14.542 218 H LEU 28 HN LEU 28 2.422 -6.174 18.537 219 HA LEU 28 HA LEU 28 0.940 -6.184 16.121 220 HB2 LEU 28 HB2 LEU 28 0.389 -7.497 18.797 221 HB3 LEU 28 HB1 LEU 28 -0.630 -7.723 17.382 222 HG LEU 28 HG LEU 28 2.352 -8.289 17.409 223 HD11 LEU 28 HD11 LEU 28 1.761 -10.644 17.636 224 HD12 LEU 28 HD12 LEU 28 0.046 -10.239 17.668 225 HD13 LEU 28 HD13 LEU 28 1.094 -9.740 18.996 226 HD21 LEU 28 HD21 LEU 28 0.131 -8.622 15.398 227 HD22 LEU 28 HD22 LEU 28 1.447 -9.792 15.408 228 HD23 LEU 28 HD23 LEU 28 1.793 -8.087 15.149 229 H LYS 29 HN LYS 29 0.390 -4.670 19.257 230 HA LYS 29 HA LYS 29 -2.309 -3.964 18.866 231 HB2 LYS 29 HB2 LYS 29 -1.242 -3.816 21.077 232 HB3 LYS 29 HB1 LYS 29 -0.219 -2.496 20.515 233 HG2 LYS 29 HG2 LYS 29 -2.211 -1.119 20.075 234 HG3 LYS 29 HG1 LYS 29 -3.251 -2.448 20.588 235 HD2 LYS 29 HD2 LYS 29 -2.275 -2.375 22.834 236 HD3 LYS 29 HD1 LYS 29 -1.172 -1.093 22.331 237 HE2 LYS 29 HE2 LYS 29 -3.095 -0.126 23.507 238 HE3 LYS 29 HE1 LYS 29 -3.124 0.352 21.810 239 HZ1 LYS 29 HZ1 LYS 29 -4.746 -1.303 21.341 240 HZ2 LYS 29 HZ2 LYS 29 -5.294 -0.420 22.685 241 HZ3 LYS 29 HZ3 LYS 29 -4.620 -1.965 22.898 242 H SER 30 HN SER 30 0.693 -2.348 17.865 243 HA SER 30 HA SER 30 -0.457 0.088 17.045 244 HB2 SER 30 HB2 SER 30 1.563 0.368 15.687 245 HB3 SER 30 HB1 SER 30 1.977 -0.257 17.280 246 HG SER 30 HG SER 30 1.877 -1.583 14.791 247 H GLU 31 HN GLU 31 -0.255 -3.050 15.500 248 HA GLU 31 HA GLU 31 -0.913 -2.239 12.872 249 HB2 GLU 31 HB2 GLU 31 -0.025 -4.486 13.366 250 HB3 GLU 31 HB1 GLU 31 -1.528 -4.906 14.183 251 HG2 GLU 31 HG2 GLU 31 -2.784 -4.546 12.109 252 HG3 GLU 31 HG1 GLU 31 -1.306 -4.053 11.284 253 H ALA 32 HN ALA 32 -2.905 -3.013 15.690 254 HA ALA 32 HA ALA 32 -5.412 -3.105 14.393 255 HB1 ALA 32 HB1 ALA 32 -4.800 -2.236 17.234 256 HB2 ALA 32 HB2 ALA 32 -5.104 -3.891 16.704 257 HB3 ALA 32 HB3 ALA 32 -6.385 -2.684 16.608 258 H ALA 33 HN ALA 33 -3.327 -0.467 15.181 259 HA ALA 33 HA ALA 33 -5.209 1.623 15.385 260 HB1 ALA 33 HB1 ALA 33 -3.366 3.145 14.908 261 HB2 ALA 33 HB2 ALA 33 -2.379 1.809 14.314 262 HB3 ALA 33 HB3 ALA 33 -2.829 1.886 16.018 263 H ASP 34 HN ASP 34 -4.012 -0.101 12.600 264 HA ASP 34 HA ASP 34 -4.588 1.854 10.631 265 HB2 ASP 34 HB2 ASP 34 -4.511 -0.017 9.043 266 HB3 ASP 34 HB1 ASP 34 -3.171 -0.107 10.185 267 H HIS 35 HN HIS 35 -6.638 -0.018 12.601 268 HA HIS 35 HA HIS 35 -8.910 0.216 10.726 269 HB2 HIS 35 HB2 HIS 35 -8.667 -1.253 13.363 270 HB3 HIS 35 HB1 HIS 35 -10.116 -1.205 12.359 271 HD2 HIS 35 HD2 HIS 35 -6.989 -3.348 12.690 272 HE1 HIS 35 HE1 HIS 35 -8.445 -4.054 8.793 273 HE2 HIS 35 HE2 HIS 35 -6.819 -4.859 10.569 274 H ASP 36 HN ASP 36 -7.418 2.150 12.815 275 HA ASP 36 HA ASP 36 -9.444 3.053 14.565 276 HB2 ASP 36 HB2 ASP 36 -6.992 4.453 13.463 277 HB3 ASP 36 HB1 ASP 36 -8.086 5.196 14.625 278 H LYS 37 HN LYS 37 -8.661 3.845 11.217 279 HA LYS 37 HA LYS 37 -10.296 6.131 10.977 280 HB2 LYS 37 HB2 LYS 37 -9.399 4.112 8.899 281 HB3 LYS 37 HB1 LYS 37 -10.302 5.576 8.513 282 HG2 LYS 37 HG2 LYS 37 -8.542 6.949 9.547 283 HG3 LYS 37 HG1 LYS 37 -7.638 5.492 9.957 284 HD2 LYS 37 HD2 LYS 37 -7.462 4.920 7.563 285 HD3 LYS 37 HD1 LYS 37 -8.368 6.376 7.148 286 HE2 LYS 37 HE2 LYS 37 -6.614 7.768 8.179 287 HE3 LYS 37 HE1 LYS 37 -5.707 6.317 8.605 288 HZ1 LYS 37 HZ1 LYS 37 -5.959 5.836 6.071 289 HZ2 LYS 37 HZ2 LYS 37 -4.738 6.875 6.630 290 HZ3 LYS 37 HZ3 LYS 37 -6.164 7.516 5.967 291 H LYS 38 HN LYS 38 -11.032 2.679 10.731 292 HA LYS 38 HA LYS 38 -13.624 2.940 9.650 293 HB2 LYS 38 HB2 LYS 38 -12.407 0.765 11.377 294 HB3 LYS 38 HB1 LYS 38 -14.019 0.665 10.671 295 HG2 LYS 38 HG2 LYS 38 -13.063 0.955 8.420 296 HG3 LYS 38 HG1 LYS 38 -11.447 1.069 9.117 297 HD2 LYS 38 HD2 LYS 38 -11.654 -1.206 10.021 298 HD3 LYS 38 HD1 LYS 38 -13.292 -1.325 9.377 299 HE2 LYS 38 HE2 LYS 38 -11.718 -2.432 7.858 300 HE3 LYS 38 HE1 LYS 38 -12.392 -0.997 7.084 301 HZ1 LYS 38 HZ1 LYS 38 -9.884 -1.347 6.966 302 HZ2 LYS 38 HZ2 LYS 38 -9.860 -0.876 8.599 303 HZ3 LYS 38 HZ3 LYS 38 -10.440 0.193 7.412 304 H GLU 39 HN GLU 39 -12.426 3.111 12.975 305 HA GLU 39 HA GLU 39 -14.941 3.020 14.257 306 HB2 GLU 39 HB2 GLU 39 -12.828 2.722 15.498 307 HB3 GLU 39 HB1 GLU 39 -12.421 4.415 15.221 308 HG2 GLU 39 HG2 GLU 39 -14.428 5.120 16.441 309 HG3 GLU 39 HG1 GLU 39 -14.898 3.436 16.670 310 H ALA 40 HN ALA 40 -13.121 5.696 12.823 311 HA ALA 40 HA ALA 40 -14.698 7.797 13.844 312 HB1 ALA 40 HB1 ALA 40 -13.897 9.082 11.809 313 HB2 ALA 40 HB2 ALA 40 -13.056 7.620 11.301 314 HB3 ALA 40 HB3 ALA 40 -12.627 8.404 12.822 315 H GLU 41 HN GLU 41 -15.166 5.668 11.065 316 HA GLU 41 HA GLU 41 -17.293 7.106 9.864 317 HB2 GLU 41 HB2 GLU 41 -16.573 4.167 9.774 318 HB3 GLU 41 HB1 GLU 41 -17.838 4.902 8.790 319 HG2 GLU 41 HG2 GLU 41 -16.222 6.415 7.766 320 HG3 GLU 41 HG1 GLU 41 -14.942 5.795 8.807 321 H ARG 42 HN ARG 42 -17.119 5.255 12.722 322 HA ARG 42 HA ARG 42 -19.697 4.173 12.888 323 HB2 ARG 42 HB2 ARG 42 -17.898 3.600 14.482 324 HB3 ARG 42 HB1 ARG 42 -18.017 5.209 15.192 325 HG2 ARG 42 HG2 ARG 42 -20.352 4.784 15.817 326 HG3 ARG 42 HG1 ARG 42 -20.277 3.194 15.057 327 HD2 ARG 42 HD2 ARG 42 -19.941 2.951 17.458 328 HD3 ARG 42 HD1 ARG 42 -18.440 2.570 16.617 329 HE ARG 42 HE ARG 42 -17.473 4.469 17.567 330 HH11 ARG 42 HH11 ARG 42 -17.483 6.219 19.015 331 HH12 ARG 42 HH12 ARG 42 -18.984 6.778 19.678 332 HH21 ARG 42 HH21 ARG 42 -20.905 4.431 17.998 333 HH22 ARG 42 HH22 ARG 42 -20.921 5.765 19.103 334 H LYS 43 HN LYS 43 -18.569 7.466 13.509 335 HA LYS 43 HA LYS 43 -20.793 8.447 14.906 336 HB2 LYS 43 HB2 LYS 43 -20.079 10.641 14.270 337 HB3 LYS 43 HB1 LYS 43 -18.622 9.680 14.512 338 HG2 LYS 43 HG2 LYS 43 -18.706 9.206 11.988 339 HG3 LYS 43 HG1 LYS 43 -19.908 10.486 11.893 340 HD2 LYS 43 HD2 LYS 43 -17.183 10.897 13.147 341 HD3 LYS 43 HD1 LYS 43 -17.512 11.211 11.446 342 HE2 LYS 43 HE2 LYS 43 -19.348 12.771 12.146 343 HE3 LYS 43 HE1 LYS 43 -18.848 12.539 13.821 344 HZ1 LYS 43 HZ1 LYS 43 -17.753 14.264 11.906 345 HZ2 LYS 43 HZ2 LYS 43 -16.571 13.119 12.324 346 HZ3 LYS 43 HZ3 LYS 43 -17.302 14.067 13.528 347 H ALA 44 HN ALA 44 -20.503 7.459 11.633 348 HA ALA 44 HA ALA 44 -22.460 9.070 10.402 349 HB1 ALA 44 HB1 ALA 44 -21.736 6.191 9.771 350 HB2 ALA 44 HB2 ALA 44 -20.970 7.627 9.087 351 HB3 ALA 44 HB3 ALA 44 -22.658 7.271 8.726 352 H LEU 45 HN LEU 45 -22.749 6.489 12.674 353 HA LEU 45 HA LEU 45 -25.399 5.664 12.070 354 HB2 LEU 45 HB2 LEU 45 -23.856 5.546 14.679 355 HB3 LEU 45 HB1 LEU 45 -25.398 4.747 14.387 356 HG LEU 45 HG LEU 45 -22.884 4.275 12.755 357 HD11 LEU 45 HD11 LEU 45 -22.785 2.110 13.956 358 HD12 LEU 45 HD12 LEU 45 -24.152 2.608 14.952 359 HD13 LEU 45 HD13 LEU 45 -22.619 3.473 15.061 360 HD21 LEU 45 HD21 LEU 45 -25.701 3.203 12.665 361 HD22 LEU 45 HD22 LEU 45 -24.372 2.129 12.229 362 HD23 LEU 45 HD23 LEU 45 -24.622 3.623 11.335 363 H GLU 46 HN GLU 46 -24.066 8.377 13.802 364 HA GLU 46 HA GLU 46 -26.333 9.069 15.335 365 HB2 GLU 46 HB2 GLU 46 -24.093 10.801 14.247 366 HB3 GLU 46 HB1 GLU 46 -25.331 11.372 15.363 367 HG2 GLU 46 HG2 GLU 46 -23.565 8.980 15.924 368 HG3 GLU 46 HG1 GLU 46 -23.191 10.615 16.470 369 H ASP 47 HN ASP 47 -25.456 9.743 11.977 370 HA ASP 47 HA ASP 47 -27.417 11.708 11.479 371 HB2 ASP 47 HB2 ASP 47 -25.550 11.264 9.916 372 HB3 ASP 47 HB1 ASP 47 -26.274 9.715 9.491 373 H LYS 48 HN LYS 48 -27.573 8.169 11.430 374 HA LYS 48 HA LYS 48 -30.118 7.954 10.226 375 HB2 LYS 48 HB2 LYS 48 -28.655 6.091 12.121 376 HB3 LYS 48 HB1 LYS 48 -30.199 5.701 11.365 377 HG2 LYS 48 HG2 LYS 48 -29.203 6.020 9.137 378 HG3 LYS 48 HG1 LYS 48 -27.657 6.429 9.882 379 HD2 LYS 48 HD2 LYS 48 -27.564 4.197 10.927 380 HD3 LYS 48 HD1 LYS 48 -29.111 3.785 10.187 381 HE2 LYS 48 HE2 LYS 48 -28.132 4.101 7.947 382 HE3 LYS 48 HE1 LYS 48 -26.584 4.524 8.680 383 HZ1 LYS 48 HZ1 LYS 48 -27.749 2.027 9.578 384 HZ2 LYS 48 HZ2 LYS 48 -26.139 2.399 9.180 385 HZ3 LYS 48 HZ3 LYS 48 -27.262 2.048 7.953 386 H LEU 49 HN LEU 49 -29.125 8.487 13.581 387 HA LEU 49 HA LEU 49 -31.656 8.063 14.755 388 HB2 LEU 49 HB2 LEU 49 -29.634 8.151 16.133 389 HB3 LEU 49 HB1 LEU 49 -29.391 9.846 15.726 390 HG LEU 49 HG LEU 49 -31.556 10.405 16.797 391 HD11 LEU 49 HD11 LEU 49 -32.444 8.457 18.330 392 HD12 LEU 49 HD12 LEU 49 -31.646 7.413 17.155 393 HD13 LEU 49 HD13 LEU 49 -32.927 8.511 16.637 394 HD21 LEU 49 HD21 LEU 49 -29.593 8.813 18.474 395 HD22 LEU 49 HD22 LEU 49 -30.834 9.871 19.144 396 HD23 LEU 49 HD23 LEU 49 -29.543 10.546 18.149 397 H ALA 50 HN ALA 50 -30.186 10.939 13.288 398 HA ALA 50 HA ALA 50 -32.170 12.782 14.083 399 HB1 ALA 50 HB1 ALA 50 -30.292 12.795 11.705 400 HB2 ALA 50 HB2 ALA 50 -30.158 13.707 13.207 401 HB3 ALA 50 HB3 ALA 50 -31.421 14.105 12.047 402 H ASP 51 HN ASP 51 -32.020 10.529 11.355 403 HA ASP 51 HA ASP 51 -33.629 9.899 9.806 404 HB2 ASP 51 HB2 ASP 51 -34.779 9.383 12.002 405 HB3 ASP 51 HB1 ASP 51 -35.600 10.935 11.851 406 H TYR 52 HN TYR 52 -32.524 12.506 9.440 407 HA TYR 52 HA TYR 52 -34.227 14.636 9.138 408 HB2 TYR 52 HB2 TYR 52 -32.801 15.334 7.231 409 HB3 TYR 52 HB1 TYR 52 -31.850 14.790 8.613 410 HD1 TYR 52 HD1 TYR 52 -32.994 13.961 5.207 411 HD2 TYR 52 HD2 TYR 52 -30.623 12.683 8.554 412 HE1 TYR 52 HE1 TYR 52 -31.913 12.239 3.785 413 HE2 TYR 52 HE2 TYR 52 -29.542 10.962 7.131 414 HH TYR 52 HH TYR 52 -29.138 10.461 4.844 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 17.666 -10.238 40.064 2 H2 GLY 1 HT2 GLY 1 18.047 -8.754 40.797 3 H3 GLY 1 HT3 GLY 1 17.472 -10.047 41.738 4 HA2 GLY 1 HA2 GLY 1 19.685 -11.036 40.422 5 HA3 GLY 1 HA1 GLY 1 20.134 -9.427 40.990 6 H SER 2 HN SER 2 19.705 -8.932 43.287 7 HA SER 2 HA SER 2 20.708 -10.961 44.971 8 HB2 SER 2 HB2 SER 2 21.069 -8.615 45.501 9 HB3 SER 2 HB1 SER 2 19.344 -8.353 45.709 10 HG SER 2 HG SER 2 21.044 -10.053 47.222 11 H VAL 3 HN VAL 3 17.384 -9.786 44.424 12 HA VAL 3 HA VAL 3 16.232 -11.353 46.495 13 HB VAL 3 HB VAL 3 14.999 -10.064 44.042 14 HG11 VAL 3 HG11 VAL 3 12.827 -10.522 45.293 15 HG12 VAL 3 HG12 VAL 3 13.736 -11.669 46.277 16 HG13 VAL 3 HG13 VAL 3 13.577 -11.929 44.540 17 HG21 VAL 3 HG21 VAL 3 15.014 -9.436 47.012 18 HG22 VAL 3 HG22 VAL 3 13.996 -8.610 45.836 19 HG23 VAL 3 HG23 VAL 3 15.749 -8.479 45.727 20 H GLU 4 HN GLU 4 16.704 -11.980 43.007 21 HA GLU 4 HA GLU 4 15.372 -14.512 43.113 22 HB2 GLU 4 HB2 GLU 4 16.259 -14.849 40.853 23 HB3 GLU 4 HB1 GLU 4 15.543 -13.246 41.016 24 HG2 GLU 4 HG2 GLU 4 17.775 -12.279 41.377 25 HG3 GLU 4 HG1 GLU 4 18.504 -13.876 41.219 26 H LYS 5 HN LYS 5 18.488 -13.420 43.992 27 HA LYS 5 HA LYS 5 19.991 -15.769 43.543 28 HB2 LYS 5 HB2 LYS 5 21.078 -13.628 44.080 29 HB3 LYS 5 HB1 LYS 5 20.411 -13.679 45.710 30 HG2 LYS 5 HG2 LYS 5 21.626 -15.771 46.158 31 HG3 LYS 5 HG1 LYS 5 22.267 -15.757 44.514 32 HD2 LYS 5 HD2 LYS 5 23.380 -13.597 44.971 33 HD3 LYS 5 HD1 LYS 5 22.753 -13.630 46.620 34 HE2 LYS 5 HE2 LYS 5 24.557 -15.749 45.416 35 HE3 LYS 5 HE1 LYS 5 25.097 -14.460 46.490 36 HZ1 LYS 5 HZ1 LYS 5 23.670 -16.892 47.102 37 HZ2 LYS 5 HZ2 LYS 5 23.028 -15.508 47.849 38 HZ3 LYS 5 HZ3 LYS 5 24.655 -15.932 48.095 39 H LEU 6 HN LEU 6 17.910 -14.786 46.236 40 HA LEU 6 HA LEU 6 18.614 -16.891 47.979 41 HB2 LEU 6 HB2 LEU 6 17.416 -14.925 48.802 42 HB3 LEU 6 HB1 LEU 6 16.007 -15.337 47.831 43 HG LEU 6 HG LEU 6 15.765 -17.456 49.095 44 HD11 LEU 6 HD11 LEU 6 17.901 -18.075 49.838 45 HD12 LEU 6 HD12 LEU 6 17.174 -17.459 51.318 46 HD13 LEU 6 HD13 LEU 6 18.291 -16.448 50.399 47 HD21 LEU 6 HD21 LEU 6 15.173 -16.377 51.300 48 HD22 LEU 6 HD22 LEU 6 14.523 -15.541 49.889 49 HD23 LEU 6 HD23 LEU 6 15.943 -14.902 50.717 50 H THR 7 HN THR 7 16.186 -16.692 45.389 51 HA THR 7 HA THR 7 15.497 -19.537 45.861 52 HB THR 7 HB THR 7 14.030 -17.381 44.324 53 HG1 THR 7 HG1 THR 7 12.722 -17.322 46.045 54 HG21 THR 7 HG21 THR 7 13.587 -19.469 43.265 55 HG22 THR 7 HG22 THR 7 12.212 -19.162 44.325 56 HG23 THR 7 HG23 THR 7 13.462 -20.308 44.812 57 H ALA 8 HN ALA 8 16.231 -21.008 44.487 58 HA ALA 8 HA ALA 8 17.685 -20.197 42.103 59 HB1 ALA 8 HB1 ALA 8 18.344 -22.499 41.911 60 HB2 ALA 8 HB2 ALA 8 17.093 -23.014 43.040 61 HB3 ALA 8 HB3 ALA 8 18.461 -22.058 43.614 62 H ASP 9 HN ASP 9 14.495 -21.232 42.864 63 HA ASP 9 HA ASP 9 13.813 -22.491 40.418 64 HB2 ASP 9 HB2 ASP 9 12.104 -21.062 42.468 65 HB3 ASP 9 HB1 ASP 9 11.442 -21.868 41.050 66 H ALA 10 HN ALA 10 14.206 -19.165 41.313 67 HA ALA 10 HA ALA 10 12.638 -17.952 39.305 68 HB1 ALA 10 HB1 ALA 10 14.073 -15.958 39.624 69 HB2 ALA 10 HB2 ALA 10 15.174 -16.916 40.613 70 HB3 ALA 10 HB3 ALA 10 13.520 -16.628 41.158 71 H GLU 11 HN GLU 11 15.783 -19.470 39.206 72 HA GLU 11 HA GLU 11 16.713 -18.334 36.793 73 HB2 GLU 11 HB2 GLU 11 17.343 -21.005 38.085 74 HB3 GLU 11 HB1 GLU 11 18.169 -20.381 36.658 75 HG2 GLU 11 HG2 GLU 11 17.971 -18.854 39.265 76 HG3 GLU 11 HG1 GLU 11 19.334 -19.891 38.848 77 H LEU 12 HN LEU 12 14.568 -21.064 37.446 78 HA LEU 12 HA LEU 12 14.529 -22.089 34.801 79 HB2 LEU 12 HB2 LEU 12 12.508 -22.310 37.050 80 HB3 LEU 12 HB1 LEU 12 12.323 -23.123 35.501 81 HG LEU 12 HG LEU 12 14.755 -23.449 37.288 82 HD11 LEU 12 HD11 LEU 12 12.380 -25.306 36.973 83 HD12 LEU 12 HD12 LEU 12 12.647 -24.252 38.362 84 HD13 LEU 12 HD13 LEU 12 13.783 -25.556 38.014 85 HD21 LEU 12 HD21 LEU 12 14.769 -25.659 35.806 86 HD22 LEU 12 HD22 LEU 12 15.449 -24.166 35.173 87 HD23 LEU 12 HD23 LEU 12 13.831 -24.668 34.689 88 H GLN 13 HN GLN 13 12.740 -19.519 36.406 89 HA GLN 13 HA GLN 13 10.756 -19.163 34.419 90 HB2 GLN 13 HB2 GLN 13 11.877 -17.240 36.474 91 HB3 GLN 13 HB1 GLN 13 10.565 -16.824 35.375 92 HG2 GLN 13 HG2 GLN 13 9.169 -18.577 36.253 93 HG3 GLN 13 HG1 GLN 13 10.495 -19.238 37.204 94 HE21 GLN 13 HE21 GLN 13 7.882 -18.188 38.207 95 HE22 GLN 13 HE22 GLN 13 8.276 -16.926 39.273 96 H ARG 14 HN ARG 14 14.056 -17.937 34.723 97 HA ARG 14 HA ARG 14 13.922 -15.976 32.709 98 HB2 ARG 14 HB2 ARG 14 15.835 -16.130 34.260 99 HB3 ARG 14 HB1 ARG 14 16.339 -17.639 33.504 100 HG2 ARG 14 HG2 ARG 14 16.628 -16.476 31.351 101 HG3 ARG 14 HG1 ARG 14 16.092 -14.967 32.090 102 HD2 ARG 14 HD2 ARG 14 17.989 -15.051 33.654 103 HD3 ARG 14 HD1 ARG 14 18.517 -16.574 32.944 104 HE ARG 14 HE ARG 14 18.319 -14.650 30.893 105 HH11 ARG 14 HH11 ARG 14 20.218 -13.646 30.146 106 HH12 ARG 14 HH12 ARG 14 21.636 -13.640 31.141 107 HH21 ARG 14 HH21 ARG 14 20.146 -15.393 33.736 108 HH22 ARG 14 HH22 ARG 14 21.596 -14.630 33.172 109 H LEU 15 HN LEU 15 14.445 -19.477 32.519 110 HA LEU 15 HA LEU 15 15.214 -19.563 29.805 111 HB2 LEU 15 HB2 LEU 15 13.838 -21.643 31.531 112 HB3 LEU 15 HB1 LEU 15 14.395 -21.948 29.890 113 HG LEU 15 HG LEU 15 16.178 -20.936 32.123 114 HD11 LEU 15 HD11 LEU 15 15.623 -23.731 31.106 115 HD12 LEU 15 HD12 LEU 15 15.494 -23.133 32.761 116 HD13 LEU 15 HD13 LEU 15 17.080 -23.324 32.014 117 HD21 LEU 15 HD21 LEU 15 17.336 -20.383 30.180 118 HD22 LEU 15 HD22 LEU 15 16.598 -21.677 29.235 119 HD23 LEU 15 HD23 LEU 15 17.884 -22.043 30.383 120 H LYS 16 HN LYS 16 12.036 -19.467 31.357 121 HA LYS 16 HA LYS 16 10.523 -20.037 29.020 122 HB2 LYS 16 HB2 LYS 16 9.789 -18.545 31.555 123 HB3 LYS 16 HB1 LYS 16 8.641 -18.957 30.283 124 HG2 LYS 16 HG2 LYS 16 9.181 -21.347 30.551 125 HG3 LYS 16 HG1 LYS 16 10.337 -20.944 31.821 126 HD2 LYS 16 HD2 LYS 16 8.510 -19.952 33.162 127 HD3 LYS 16 HD1 LYS 16 7.357 -20.386 31.901 128 HE2 LYS 16 HE2 LYS 16 9.097 -22.359 33.410 129 HE3 LYS 16 HE1 LYS 16 7.392 -22.054 33.745 130 HZ1 LYS 16 HZ1 LYS 16 8.370 -23.871 31.972 131 HZ2 LYS 16 HZ2 LYS 16 7.897 -22.577 30.977 132 HZ3 LYS 16 HZ3 LYS 16 6.774 -23.300 32.028 133 H ASN 17 HN ASN 17 12.152 -17.210 30.171 134 HA ASN 17 HA ASN 17 12.396 -15.080 29.289 135 HB2 ASN 17 HB2 ASN 17 12.907 -16.602 27.273 136 HB3 ASN 17 HB1 ASN 17 11.289 -16.191 26.711 137 HD21 ASN 17 HD21 ASN 17 11.950 -14.853 24.931 138 HD22 ASN 17 HD22 ASN 17 12.776 -13.386 25.149 139 H GLU 18 HN GLU 18 9.937 -15.638 30.644 140 HA GLU 18 HA GLU 18 7.672 -14.764 29.194 141 HB2 GLU 18 HB2 GLU 18 7.463 -15.935 31.355 142 HB3 GLU 18 HB1 GLU 18 8.159 -14.545 32.186 143 HG2 GLU 18 HG2 GLU 18 6.307 -13.132 31.413 144 HG3 GLU 18 HG1 GLU 18 5.625 -14.492 30.523 145 H ARG 19 HN ARG 19 10.158 -13.000 30.992 146 HA ARG 19 HA ARG 19 8.851 -10.462 30.836 147 HB2 ARG 19 HB2 ARG 19 11.759 -11.163 31.311 148 HB3 ARG 19 HB1 ARG 19 11.064 -9.554 31.497 149 HG2 ARG 19 HG2 ARG 19 9.540 -10.364 33.222 150 HG3 ARG 19 HG1 ARG 19 10.125 -12.013 33.001 151 HD2 ARG 19 HD2 ARG 19 11.236 -11.046 34.934 152 HD3 ARG 19 HD1 ARG 19 12.414 -11.239 33.639 153 HE ARG 19 HE ARG 19 11.248 -8.645 33.534 154 HH11 ARG 19 HH11 ARG 19 12.510 -6.898 34.250 155 HH12 ARG 19 HH12 ARG 19 13.884 -7.187 35.264 156 HH21 ARG 19 HH21 ARG 19 13.450 -10.626 35.322 157 HH22 ARG 19 HH22 ARG 19 14.416 -9.297 35.872 158 H HIS 20 HN HIS 20 9.485 -8.653 29.585 159 HA HIS 20 HA HIS 20 9.958 -7.552 27.610 160 HB2 HIS 20 HB2 HIS 20 12.088 -9.689 27.351 161 HB3 HIS 20 HB1 HIS 20 12.003 -8.193 26.424 162 HD2 HIS 20 HD2 HIS 20 12.864 -5.894 27.800 163 HE1 HIS 20 HE1 HIS 20 13.747 -7.811 31.456 164 HE2 HIS 20 HE2 HIS 20 13.934 -5.631 30.168 165 H GLU 21 HN GLU 21 7.981 -9.774 27.634 166 HA GLU 21 HA GLU 21 8.188 -10.745 24.844 167 HB2 GLU 21 HB2 GLU 21 6.373 -11.653 27.093 168 HB3 GLU 21 HB1 GLU 21 6.426 -12.343 25.471 169 HG2 GLU 21 HG2 GLU 21 8.804 -12.215 27.345 170 HG3 GLU 21 HG1 GLU 21 7.779 -13.633 27.140 171 H GLU 22 HN GLU 22 6.396 -8.632 26.937 172 HA GLU 22 HA GLU 22 4.017 -8.429 25.430 173 HB2 GLU 22 HB2 GLU 22 4.171 -7.572 27.736 174 HB3 GLU 22 HB1 GLU 22 5.277 -6.308 27.203 175 HG2 GLU 22 HG2 GLU 22 3.552 -5.401 25.710 176 HG3 GLU 22 HG1 GLU 22 2.450 -6.692 26.182 177 H ALA 23 HN ALA 23 7.133 -6.761 25.155 178 HA ALA 23 HA ALA 23 6.318 -4.799 23.303 179 HB1 ALA 23 HB1 ALA 23 9.033 -6.056 23.792 180 HB2 ALA 23 HB2 ALA 23 8.450 -4.476 24.312 181 HB3 ALA 23 HB3 ALA 23 8.766 -4.780 22.606 182 H GLU 24 HN GLU 24 7.320 -8.165 22.848 183 HA GLU 24 HA GLU 24 7.531 -8.048 20.024 184 HB2 GLU 24 HB2 GLU 24 6.987 -10.387 21.874 185 HB3 GLU 24 HB1 GLU 24 7.175 -10.551 20.131 186 HG2 GLU 24 HG2 GLU 24 9.248 -9.233 21.906 187 HG3 GLU 24 HG1 GLU 24 9.291 -10.935 21.457 188 H LEU 25 HN LEU 25 4.799 -8.568 22.199 189 HA LEU 25 HA LEU 25 2.974 -9.155 20.014 190 HB2 LEU 25 HB2 LEU 25 2.451 -8.628 22.953 191 HB3 LEU 25 HB1 LEU 25 1.236 -9.136 21.783 192 HG LEU 25 HG LEU 25 3.743 -10.712 22.458 193 HD11 LEU 25 HD11 LEU 25 2.291 -12.184 23.719 194 HD12 LEU 25 HD12 LEU 25 0.868 -11.260 23.239 195 HD13 LEU 25 HD13 LEU 25 2.063 -10.540 24.317 196 HD21 LEU 25 HD21 LEU 25 1.439 -11.116 20.555 197 HD22 LEU 25 HD22 LEU 25 2.193 -12.525 21.300 198 HD23 LEU 25 HD23 LEU 25 3.157 -11.436 20.310 199 H GLU 26 HN GLU 26 4.248 -6.386 21.528 200 HA GLU 26 HA GLU 26 2.069 -4.608 21.309 201 HB2 GLU 26 HB2 GLU 26 4.079 -4.043 22.616 202 HB3 GLU 26 HB1 GLU 26 5.027 -3.936 21.133 203 HG2 GLU 26 HG2 GLU 26 3.592 -2.118 20.323 204 HG3 GLU 26 HG1 GLU 26 2.587 -2.253 21.765 205 H ARG 27 HN ARG 27 4.522 -5.602 18.940 206 HA ARG 27 HA ARG 27 3.873 -3.683 16.973 207 HB2 ARG 27 HB2 ARG 27 5.930 -5.044 16.840 208 HB3 ARG 27 HB1 ARG 27 4.965 -6.486 16.530 209 HG2 ARG 27 HG2 ARG 27 4.071 -5.472 14.480 210 HG3 ARG 27 HG1 ARG 27 4.978 -3.995 14.802 211 HD2 ARG 27 HD2 ARG 27 7.089 -5.266 14.679 212 HD3 ARG 27 HD1 ARG 27 6.183 -6.740 14.351 213 HE ARG 27 HE ARG 27 6.705 -4.572 12.487 214 HH11 ARG 27 HH11 ARG 27 6.025 -4.958 10.355 215 HH12 ARG 27 HH12 ARG 27 4.956 -6.280 10.019 216 HH21 ARG 27 HH21 ARG 27 4.767 -7.314 13.323 217 HH22 ARG 27 HH22 ARG 27 4.243 -7.613 11.699 218 H LEU 28 HN LEU 28 2.475 -6.846 17.735 219 HA LEU 28 HA LEU 28 0.796 -6.987 15.449 220 HB2 LEU 28 HB2 LEU 28 0.585 -8.321 18.162 221 HB3 LEU 28 HB1 LEU 28 -0.535 -8.631 16.842 222 HG LEU 28 HG LEU 28 2.472 -8.971 16.608 223 HD11 LEU 28 HD11 LEU 28 1.985 -11.407 16.789 224 HD12 LEU 28 HD12 LEU 28 0.310 -11.017 17.181 225 HD13 LEU 28 HD13 LEU 28 1.608 -10.532 18.273 226 HD21 LEU 28 HD21 LEU 28 0.116 -9.479 14.797 227 HD22 LEU 28 HD22 LEU 28 1.512 -10.549 14.692 228 HD23 LEU 28 HD23 LEU 28 1.706 -8.825 14.407 229 H LYS 29 HN LYS 29 0.433 -5.484 18.617 230 HA LYS 29 HA LYS 29 -2.359 -4.809 18.133 231 HB2 LYS 29 HB2 LYS 29 -0.492 -3.941 20.358 232 HB3 LYS 29 HB1 LYS 29 -2.226 -3.653 20.304 233 HG2 LYS 29 HG2 LYS 29 -1.001 -6.430 20.265 234 HG3 LYS 29 HG1 LYS 29 -1.526 -5.620 21.735 235 HD2 LYS 29 HD2 LYS 29 -3.819 -5.397 20.690 236 HD3 LYS 29 HD1 LYS 29 -3.253 -6.431 19.379 237 HE2 LYS 29 HE2 LYS 29 -2.707 -8.206 20.987 238 HE3 LYS 29 HE1 LYS 29 -3.271 -7.185 22.309 239 HZ1 LYS 29 HZ1 LYS 29 -5.318 -7.889 21.924 240 HZ2 LYS 29 HZ2 LYS 29 -4.775 -8.855 20.637 241 HZ3 LYS 29 HZ3 LYS 29 -5.264 -7.252 20.354 242 H SER 30 HN SER 30 0.686 -3.502 17.382 243 HA SER 30 HA SER 30 0.127 -0.741 17.511 244 HB2 SER 30 HB2 SER 30 2.027 -2.250 15.695 245 HB3 SER 30 HB1 SER 30 1.955 -0.497 15.820 246 HG SER 30 HG SER 30 2.680 -0.600 17.859 247 H GLU 31 HN GLU 31 -0.580 -3.168 15.041 248 HA GLU 31 HA GLU 31 -1.354 -1.389 12.993 249 HB2 GLU 31 HB2 GLU 31 -0.949 -3.787 12.575 250 HB3 GLU 31 HB1 GLU 31 -2.401 -4.193 13.487 251 HG2 GLU 31 HG2 GLU 31 -3.777 -2.922 11.910 252 HG3 GLU 31 HG1 GLU 31 -2.335 -2.439 11.018 253 H ALA 32 HN ALA 32 -3.102 -2.726 15.757 254 HA ALA 32 HA ALA 32 -5.709 -1.963 15.003 255 HB1 ALA 32 HB1 ALA 32 -4.561 -2.195 17.801 256 HB2 ALA 32 HB2 ALA 32 -5.288 -3.509 16.871 257 HB3 ALA 32 HB3 ALA 32 -6.274 -2.143 17.388 258 H ALA 33 HN ALA 33 -3.030 -0.087 16.087 259 HA ALA 33 HA ALA 33 -4.374 2.080 17.277 260 HB1 ALA 33 HB1 ALA 33 -1.765 2.106 15.723 261 HB2 ALA 33 HB2 ALA 33 -1.952 1.886 17.463 262 HB3 ALA 33 HB3 ALA 33 -2.369 3.427 16.721 263 H ASP 34 HN ASP 34 -3.845 1.250 13.904 264 HA ASP 34 HA ASP 34 -4.522 3.739 12.764 265 HB2 ASP 34 HB2 ASP 34 -3.468 1.898 11.475 266 HB3 ASP 34 HB1 ASP 34 -4.980 0.993 11.552 267 H HIS 35 HN HIS 35 -6.525 1.070 13.930 268 HA HIS 35 HA HIS 35 -8.967 2.306 12.916 269 HB2 HIS 35 HB2 HIS 35 -8.560 -0.149 14.645 270 HB3 HIS 35 HB1 HIS 35 -10.090 0.370 13.940 271 HD2 HIS 35 HD2 HIS 35 -7.104 -1.795 12.961 272 HE1 HIS 35 HE1 HIS 35 -9.061 -0.829 9.347 273 HE2 HIS 35 HE2 HIS 35 -7.293 -2.310 10.408 274 H ASP 36 HN ASP 36 -6.988 2.893 15.482 275 HA ASP 36 HA ASP 36 -8.768 3.092 17.665 276 HB2 ASP 36 HB2 ASP 36 -6.316 3.200 17.949 277 HB3 ASP 36 HB1 ASP 36 -6.289 4.773 17.156 278 H LYS 37 HN LYS 37 -8.031 5.323 15.021 279 HA LYS 37 HA LYS 37 -9.351 7.582 16.072 280 HB2 LYS 37 HB2 LYS 37 -8.794 6.767 13.207 281 HB3 LYS 37 HB1 LYS 37 -9.515 8.311 13.661 282 HG2 LYS 37 HG2 LYS 37 -7.561 8.822 15.069 283 HG3 LYS 37 HG1 LYS 37 -6.838 7.272 14.634 284 HD2 LYS 37 HD2 LYS 37 -6.812 7.944 12.261 285 HD3 LYS 37 HD1 LYS 37 -7.539 9.493 12.690 286 HE2 LYS 37 HE2 LYS 37 -5.592 10.022 14.108 287 HE3 LYS 37 HE1 LYS 37 -4.863 8.471 13.689 288 HZ1 LYS 37 HZ1 LYS 37 -4.615 10.838 12.311 289 HZ2 LYS 37 HZ2 LYS 37 -5.654 9.888 11.360 290 HZ3 LYS 37 HZ3 LYS 37 -4.118 9.303 11.791 291 H LYS 38 HN LYS 38 -10.548 4.780 14.283 292 HA LYS 38 HA LYS 38 -13.111 5.787 13.683 293 HB2 LYS 38 HB2 LYS 38 -12.244 3.730 12.640 294 HB3 LYS 38 HB1 LYS 38 -12.323 2.895 14.189 295 HG2 LYS 38 HG2 LYS 38 -14.759 3.258 14.270 296 HG3 LYS 38 HG1 LYS 38 -14.684 4.121 12.734 297 HD2 LYS 38 HD2 LYS 38 -13.811 2.094 11.634 298 HD3 LYS 38 HD1 LYS 38 -13.883 1.229 13.169 299 HE2 LYS 38 HE2 LYS 38 -16.320 1.583 13.263 300 HE3 LYS 38 HE1 LYS 38 -16.254 2.460 11.734 301 HZ1 LYS 38 HZ1 LYS 38 -16.543 0.493 10.774 302 HZ2 LYS 38 HZ2 LYS 38 -16.247 -0.357 12.214 303 HZ3 LYS 38 HZ3 LYS 38 -14.952 0.120 11.225 304 H GLU 39 HN GLU 39 -11.825 4.240 16.596 305 HA GLU 39 HA GLU 39 -14.289 3.865 17.933 306 HB2 GLU 39 HB2 GLU 39 -11.483 4.261 18.999 307 HB3 GLU 39 HB1 GLU 39 -12.869 3.854 20.010 308 HG2 GLU 39 HG2 GLU 39 -13.240 1.797 18.768 309 HG3 GLU 39 HG1 GLU 39 -11.962 2.217 17.627 310 H ALA 40 HN ALA 40 -12.415 6.683 17.300 311 HA ALA 40 HA ALA 40 -13.155 8.322 19.464 312 HB1 ALA 40 HB1 ALA 40 -12.674 9.226 16.612 313 HB2 ALA 40 HB2 ALA 40 -11.400 8.927 17.797 314 HB3 ALA 40 HB3 ALA 40 -12.571 10.216 18.065 315 H GLU 41 HN GLU 41 -15.015 7.134 16.835 316 HA GLU 41 HA GLU 41 -16.936 9.149 16.513 317 HB2 GLU 41 HB2 GLU 41 -18.381 7.435 15.601 318 HB3 GLU 41 HB1 GLU 41 -16.731 7.112 15.073 319 HG2 GLU 41 HG2 GLU 41 -16.510 5.519 17.023 320 HG3 GLU 41 HG1 GLU 41 -18.233 5.738 17.318 321 H ARG 42 HN ARG 42 -16.286 7.170 19.194 322 HA ARG 42 HA ARG 42 -18.806 6.817 20.352 323 HB2 ARG 42 HB2 ARG 42 -16.769 5.739 21.231 324 HB3 ARG 42 HB1 ARG 42 -16.183 7.303 21.798 325 HG2 ARG 42 HG2 ARG 42 -18.094 7.525 23.294 326 HG3 ARG 42 HG1 ARG 42 -18.797 6.035 22.661 327 HD2 ARG 42 HD2 ARG 42 -17.665 5.563 24.771 328 HD3 ARG 42 HD1 ARG 42 -16.794 4.789 23.450 329 HE ARG 42 HE ARG 42 -15.734 7.385 23.964 330 HH11 ARG 42 HH11 ARG 42 -13.731 7.500 25.030 331 HH12 ARG 42 HH12 ARG 42 -13.143 6.129 25.910 332 HH21 ARG 42 HH21 ARG 42 -15.894 4.149 25.179 333 HH22 ARG 42 HH22 ARG 42 -14.369 4.231 25.994 334 H LYS 43 HN LYS 43 -16.788 9.687 20.182 335 HA LYS 43 HA LYS 43 -17.917 11.190 22.260 336 HB2 LYS 43 HB2 LYS 43 -17.064 13.151 21.131 337 HB3 LYS 43 HB1 LYS 43 -15.889 11.851 20.959 338 HG2 LYS 43 HG2 LYS 43 -16.816 11.358 18.695 339 HG3 LYS 43 HG1 LYS 43 -17.914 12.724 18.870 340 HD2 LYS 43 HD2 LYS 43 -15.998 14.247 19.135 341 HD3 LYS 43 HD1 LYS 43 -14.890 12.886 18.948 342 HE2 LYS 43 HE2 LYS 43 -15.792 12.456 16.693 343 HE3 LYS 43 HE1 LYS 43 -16.902 13.814 16.876 344 HZ1 LYS 43 HZ1 LYS 43 -14.268 13.877 15.987 345 HZ2 LYS 43 HZ2 LYS 43 -14.289 14.652 17.500 346 HZ3 LYS 43 HZ3 LYS 43 -15.306 15.192 16.251 347 H ALA 44 HN ALA 44 -19.276 10.196 19.273 348 HA ALA 44 HA ALA 44 -21.122 12.272 18.800 349 HB1 ALA 44 HB1 ALA 44 -22.424 10.607 17.531 350 HB2 ALA 44 HB2 ALA 44 -21.441 9.311 18.210 351 HB3 ALA 44 HB3 ALA 44 -20.709 10.509 17.139 352 H LEU 45 HN LEU 45 -21.037 9.820 21.228 353 HA LEU 45 HA LEU 45 -23.805 9.708 21.846 354 HB2 LEU 45 HB2 LEU 45 -21.375 9.171 23.578 355 HB3 LEU 45 HB1 LEU 45 -23.032 8.826 24.059 356 HG LEU 45 HG LEU 45 -21.713 7.697 21.573 357 HD11 LEU 45 HD11 LEU 45 -21.439 5.634 22.810 358 HD12 LEU 45 HD12 LEU 45 -22.263 6.313 24.213 359 HD13 LEU 45 HD13 LEU 45 -20.682 6.931 23.736 360 HD21 LEU 45 HD21 LEU 45 -24.422 7.402 22.861 361 HD22 LEU 45 HD22 LEU 45 -23.729 6.015 22.023 362 HD23 LEU 45 HD23 LEU 45 -24.003 7.518 21.152 363 H GLU 46 HN GLU 46 -21.269 11.969 22.616 364 HA GLU 46 HA GLU 46 -22.464 13.211 24.852 365 HB2 GLU 46 HB2 GLU 46 -20.105 13.601 24.249 366 HB3 GLU 46 HB1 GLU 46 -20.609 14.472 22.801 367 HG2 GLU 46 HG2 GLU 46 -21.773 16.134 24.181 368 HG3 GLU 46 HG1 GLU 46 -21.337 15.245 25.641 369 H ASP 47 HN ASP 47 -22.898 13.714 21.371 370 HA ASP 47 HA ASP 47 -24.393 16.095 21.534 371 HB2 ASP 47 HB2 ASP 47 -24.374 13.896 19.450 372 HB3 ASP 47 HB1 ASP 47 -25.331 15.366 19.291 373 H LYS 48 HN LYS 48 -25.349 12.703 21.859 374 HA LYS 48 HA LYS 48 -27.354 11.735 22.514 375 HB2 LYS 48 HB2 LYS 48 -27.733 14.449 23.815 376 HB3 LYS 48 HB1 LYS 48 -28.641 12.984 24.184 377 HG2 LYS 48 HG2 LYS 48 -26.648 11.861 24.968 378 HG3 LYS 48 HG1 LYS 48 -25.628 13.184 24.412 379 HD2 LYS 48 HD2 LYS 48 -25.876 13.472 26.778 380 HD3 LYS 48 HD1 LYS 48 -26.894 14.692 26.018 381 HE2 LYS 48 HE2 LYS 48 -28.885 13.380 26.417 382 HE3 LYS 48 HE1 LYS 48 -27.928 12.000 26.957 383 HZ1 LYS 48 HZ1 LYS 48 -28.306 12.872 28.971 384 HZ2 LYS 48 HZ2 LYS 48 -28.662 14.419 28.365 385 HZ3 LYS 48 HZ3 LYS 48 -27.047 13.937 28.575 386 H LEU 49 HN LEU 49 -27.310 12.941 19.911 387 HA LEU 49 HA LEU 49 -28.757 13.576 18.214 388 HB2 LEU 49 HB2 LEU 49 -30.893 12.674 20.162 389 HB3 LEU 49 HB1 LEU 49 -31.052 12.824 18.413 390 HG LEU 49 HG LEU 49 -29.151 10.943 19.845 391 HD11 LEU 49 HD11 LEU 49 -31.784 10.500 18.414 392 HD12 LEU 49 HD12 LEU 49 -31.421 10.166 20.106 393 HD13 LEU 49 HD13 LEU 49 -30.674 9.197 18.836 394 HD21 LEU 49 HD21 LEU 49 -28.112 11.393 17.786 395 HD22 LEU 49 HD22 LEU 49 -29.645 11.609 16.942 396 HD23 LEU 49 HD23 LEU 49 -29.104 9.992 17.392 397 H ALA 50 HN ALA 50 -28.023 15.486 20.383 398 HA ALA 50 HA ALA 50 -30.215 17.147 21.016 399 HB1 ALA 50 HB1 ALA 50 -28.524 18.920 21.439 400 HB2 ALA 50 HB2 ALA 50 -27.280 17.881 20.751 401 HB3 ALA 50 HB3 ALA 50 -28.118 17.396 22.225 402 H ASP 51 HN ASP 51 -28.186 16.922 18.155 403 HA ASP 51 HA ASP 51 -28.335 17.951 16.081 404 HB2 ASP 51 HB2 ASP 51 -30.685 17.039 16.341 405 HB3 ASP 51 HB1 ASP 51 -31.161 18.640 16.904 406 H TYR 52 HN TYR 52 -27.277 19.502 18.234 407 HA TYR 52 HA TYR 52 -26.785 21.690 18.823 408 HB2 TYR 52 HB2 TYR 52 -25.986 21.744 16.522 409 HB3 TYR 52 HB1 TYR 52 -27.613 22.087 15.936 410 HD1 TYR 52 HD1 TYR 52 -24.884 23.411 18.109 411 HD2 TYR 52 HD2 TYR 52 -28.448 24.309 15.886 412 HE1 TYR 52 HE1 TYR 52 -24.497 25.834 18.468 413 HE2 TYR 52 HE2 TYR 52 -28.061 26.732 16.245 414 HH TYR 52 HH TYR 52 -26.866 28.247 17.415 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -6.321 4.107 48.387 2 H2 GLY 1 HT2 GLY 1 -6.430 3.437 49.945 3 H3 GLY 1 HT3 GLY 1 -4.908 3.716 49.240 4 HA2 GLY 1 HA2 GLY 1 -5.736 6.170 49.132 5 HA3 GLY 1 HA1 GLY 1 -6.787 5.622 50.437 6 H SER 2 HN SER 2 -5.490 4.112 52.049 7 HA SER 2 HA SER 2 -3.598 5.757 53.354 8 HB2 SER 2 HB2 SER 2 -3.309 3.882 54.887 9 HB3 SER 2 HB1 SER 2 -5.017 4.090 54.513 10 HG SER 2 HG SER 2 -3.245 2.277 53.226 11 H VAL 3 HN VAL 3 -3.284 3.350 50.887 12 HA VAL 3 HA VAL 3 -0.348 3.705 50.936 13 HB VAL 3 HB VAL 3 -0.054 1.318 50.334 14 HG11 VAL 3 HG11 VAL 3 0.069 2.224 52.706 15 HG12 VAL 3 HG12 VAL 3 -0.241 0.494 52.573 16 HG13 VAL 3 HG13 VAL 3 -1.563 1.600 52.941 17 HG21 VAL 3 HG21 VAL 3 -1.822 -0.255 50.435 18 HG22 VAL 3 HG22 VAL 3 -2.516 1.097 49.545 19 HG23 VAL 3 HG23 VAL 3 -2.901 0.872 51.252 20 H GLU 4 HN GLU 4 -3.197 3.931 49.254 21 HA GLU 4 HA GLU 4 -2.444 3.078 46.666 22 HB2 GLU 4 HB2 GLU 4 -4.794 3.544 47.234 23 HB3 GLU 4 HB1 GLU 4 -4.430 5.256 47.416 24 HG2 GLU 4 HG2 GLU 4 -5.386 4.848 45.209 25 HG3 GLU 4 HG1 GLU 4 -3.702 5.328 45.033 26 H LYS 5 HN LYS 5 -1.969 6.145 48.382 27 HA LYS 5 HA LYS 5 -1.007 7.620 46.175 28 HB2 LYS 5 HB2 LYS 5 -0.507 7.945 49.149 29 HB3 LYS 5 HB1 LYS 5 0.080 9.074 47.930 30 HG2 LYS 5 HG2 LYS 5 -2.224 9.453 47.153 31 HG3 LYS 5 HG1 LYS 5 -2.823 8.312 48.356 32 HD2 LYS 5 HD2 LYS 5 -1.916 9.729 50.160 33 HD3 LYS 5 HD1 LYS 5 -1.315 10.873 48.960 34 HE2 LYS 5 HE2 LYS 5 -3.617 11.268 48.172 35 HE3 LYS 5 HE1 LYS 5 -4.225 10.116 49.361 36 HZ1 LYS 5 HZ1 LYS 5 -4.090 11.623 50.969 37 HZ2 LYS 5 HZ2 LYS 5 -3.869 12.788 49.754 38 HZ3 LYS 5 HZ3 LYS 5 -2.524 12.096 50.527 39 H LEU 6 HN LEU 6 0.595 5.427 48.443 40 HA LEU 6 HA LEU 6 3.246 6.058 47.705 41 HB2 LEU 6 HB2 LEU 6 2.774 4.815 49.758 42 HB3 LEU 6 HB1 LEU 6 2.156 3.454 48.829 43 HG LEU 6 HG LEU 6 4.384 3.164 47.781 44 HD11 LEU 6 HD11 LEU 6 4.981 5.623 49.423 45 HD12 LEU 6 HD12 LEU 6 5.421 5.267 47.753 46 HD13 LEU 6 HD13 LEU 6 6.270 4.471 49.073 47 HD21 LEU 6 HD21 LEU 6 3.920 1.877 49.773 48 HD22 LEU 6 HD22 LEU 6 4.290 3.256 50.810 49 HD23 LEU 6 HD23 LEU 6 5.578 2.468 49.897 50 H THR 7 HN THR 7 0.910 3.752 46.358 51 HA THR 7 HA THR 7 0.947 2.481 44.426 52 HB THR 7 HB THR 7 1.847 3.551 42.467 53 HG1 THR 7 HG1 THR 7 3.418 4.998 42.555 54 HG21 THR 7 HG21 THR 7 0.800 5.558 44.478 55 HG22 THR 7 HG22 THR 7 -0.160 4.586 43.363 56 HG23 THR 7 HG23 THR 7 0.903 5.849 42.743 57 H ALA 8 HN ALA 8 4.268 3.706 44.162 58 HA ALA 8 HA ALA 8 6.287 2.580 43.974 59 HB1 ALA 8 HB1 ALA 8 6.618 0.728 45.606 60 HB2 ALA 8 HB2 ALA 8 4.903 0.814 46.008 61 HB3 ALA 8 HB3 ALA 8 5.959 2.186 46.345 62 H ASP 9 HN ASP 9 4.130 1.899 42.101 63 HA ASP 9 HA ASP 9 4.382 -0.969 41.634 64 HB2 ASP 9 HB2 ASP 9 2.847 -0.584 39.789 65 HB3 ASP 9 HB1 ASP 9 2.242 0.229 41.231 66 H ALA 10 HN ALA 10 6.402 1.526 41.153 67 HA ALA 10 HA ALA 10 7.156 1.328 38.443 68 HB1 ALA 10 HB1 ALA 10 7.973 3.220 39.621 69 HB2 ALA 10 HB2 ALA 10 9.390 2.243 39.245 70 HB3 ALA 10 HB3 ALA 10 8.720 2.229 40.874 71 H GLU 11 HN GLU 11 8.151 -0.555 41.280 72 HA GLU 11 HA GLU 11 10.293 -1.916 40.026 73 HB2 GLU 11 HB2 GLU 11 10.141 -3.481 41.887 74 HB3 GLU 11 HB1 GLU 11 9.967 -1.829 42.478 75 HG2 GLU 11 HG2 GLU 11 7.485 -2.117 42.423 76 HG3 GLU 11 HG1 GLU 11 7.720 -3.801 41.960 77 H LEU 12 HN LEU 12 6.845 -2.354 39.901 78 HA LEU 12 HA LEU 12 6.828 -5.067 39.061 79 HB2 LEU 12 HB2 LEU 12 4.797 -2.855 38.654 80 HB3 LEU 12 HB1 LEU 12 4.541 -4.509 38.119 81 HG LEU 12 HG LEU 12 5.209 -3.763 40.983 82 HD11 LEU 12 HD11 LEU 12 2.560 -4.113 39.574 83 HD12 LEU 12 HD12 LEU 12 3.095 -2.768 40.581 84 HD13 LEU 12 HD13 LEU 12 2.723 -4.326 41.316 85 HD21 LEU 12 HD21 LEU 12 5.703 -6.040 40.813 86 HD22 LEU 12 HD22 LEU 12 4.513 -6.318 39.545 87 HD23 LEU 12 HD23 LEU 12 3.992 -6.119 41.215 88 H GLN 13 HN GLN 13 7.172 -2.023 37.305 89 HA GLN 13 HA GLN 13 6.871 -3.095 34.707 90 HB2 GLN 13 HB2 GLN 13 6.785 -0.661 35.173 91 HB3 GLN 13 HB1 GLN 13 8.518 -0.671 35.503 92 HG2 GLN 13 HG2 GLN 13 8.976 -1.455 33.233 93 HG3 GLN 13 HG1 GLN 13 7.249 -1.551 32.896 94 HE21 GLN 13 HE21 GLN 13 8.427 0.068 31.139 95 HE22 GLN 13 HE22 GLN 13 8.247 1.711 31.530 96 H ARG 14 HN ARG 14 9.676 -2.860 36.851 97 HA ARG 14 HA ARG 14 11.643 -3.526 34.945 98 HB2 ARG 14 HB2 ARG 14 12.204 -2.631 37.183 99 HB3 ARG 14 HB1 ARG 14 11.692 -4.148 37.920 100 HG2 ARG 14 HG2 ARG 14 13.397 -5.360 36.599 101 HG3 ARG 14 HG1 ARG 14 13.913 -3.835 35.878 102 HD2 ARG 14 HD2 ARG 14 13.948 -4.455 38.845 103 HD3 ARG 14 HD1 ARG 14 15.356 -4.514 37.787 104 HE ARG 14 HE ARG 14 14.048 -2.127 38.804 105 HH11 ARG 14 HH11 ARG 14 15.097 -0.174 38.307 106 HH12 ARG 14 HH12 ARG 14 16.341 -0.148 37.103 107 HH21 ARG 14 HH21 ARG 14 16.118 -3.540 36.417 108 HH22 ARG 14 HH22 ARG 14 16.919 -2.054 36.032 109 H LEU 15 HN LEU 15 9.503 -5.573 36.897 110 HA LEU 15 HA LEU 15 10.778 -8.022 36.329 111 HB2 LEU 15 HB2 LEU 15 9.119 -7.851 38.120 112 HB3 LEU 15 HB1 LEU 15 7.845 -7.517 36.953 113 HG LEU 15 HG LEU 15 8.220 -9.740 35.918 114 HD11 LEU 15 HD11 LEU 15 9.636 -11.332 37.468 115 HD12 LEU 15 HD12 LEU 15 10.414 -9.836 37.985 116 HD13 LEU 15 HD13 LEU 15 10.463 -10.316 36.289 117 HD21 LEU 15 HD21 LEU 15 6.568 -9.458 37.739 118 HD22 LEU 15 HD22 LEU 15 7.819 -9.826 38.926 119 HD23 LEU 15 HD23 LEU 15 7.298 -11.062 37.780 120 H LYS 16 HN LYS 16 8.306 -6.199 34.539 121 HA LYS 16 HA LYS 16 7.872 -8.244 32.583 122 HB2 LYS 16 HB2 LYS 16 7.356 -5.263 32.412 123 HB3 LYS 16 HB1 LYS 16 6.712 -6.482 31.319 124 HG2 LYS 16 HG2 LYS 16 6.178 -6.462 34.304 125 HG3 LYS 16 HG1 LYS 16 5.103 -5.728 33.119 126 HD2 LYS 16 HD2 LYS 16 4.973 -7.992 31.979 127 HD3 LYS 16 HD1 LYS 16 5.828 -8.660 33.368 128 HE2 LYS 16 HE2 LYS 16 4.071 -7.831 34.874 129 HE3 LYS 16 HE1 LYS 16 3.201 -7.165 33.492 130 HZ1 LYS 16 HZ1 LYS 16 3.323 -9.536 32.585 131 HZ2 LYS 16 HZ2 LYS 16 2.214 -9.218 33.830 132 HZ3 LYS 16 HZ3 LYS 16 3.685 -9.993 34.178 133 H ASN 17 HN ASN 17 10.291 -5.853 33.082 134 HA ASN 17 HA ASN 17 11.140 -5.458 30.419 135 HB2 ASN 17 HB2 ASN 17 11.891 -4.073 32.384 136 HB3 ASN 17 HB1 ASN 17 12.947 -5.403 32.854 137 HD21 ASN 17 HD21 ASN 17 14.943 -4.306 32.385 138 HD22 ASN 17 HD22 ASN 17 15.391 -3.875 30.806 139 H GLU 18 HN GLU 18 11.850 -8.011 32.754 140 HA GLU 18 HA GLU 18 14.001 -9.192 31.363 141 HB2 GLU 18 HB2 GLU 18 11.993 -10.384 33.295 142 HB3 GLU 18 HB1 GLU 18 13.358 -11.282 32.632 143 HG2 GLU 18 HG2 GLU 18 14.933 -9.705 33.580 144 HG3 GLU 18 HG1 GLU 18 13.622 -8.653 34.113 145 H ARG 19 HN ARG 19 10.501 -9.523 31.007 146 HA ARG 19 HA ARG 19 10.782 -11.670 29.043 147 HB2 ARG 19 HB2 ARG 19 8.871 -11.669 30.615 148 HB3 ARG 19 HB1 ARG 19 8.324 -10.133 29.943 149 HG2 ARG 19 HG2 ARG 19 8.021 -11.174 27.744 150 HG3 ARG 19 HG1 ARG 19 8.633 -12.707 28.369 151 HD2 ARG 19 HD2 ARG 19 6.776 -12.818 29.968 152 HD3 ARG 19 HD1 ARG 19 6.181 -11.258 29.410 153 HE ARG 19 HE ARG 19 5.305 -12.312 27.523 154 HH11 ARG 19 HH11 ARG 19 4.728 -14.169 26.354 155 HH12 ARG 19 HH12 ARG 19 5.480 -15.685 26.720 156 HH21 ARG 19 HH21 ARG 19 7.466 -14.388 29.252 157 HH22 ARG 19 HH22 ARG 19 7.032 -15.810 28.362 158 H HIS 20 HN HIS 20 11.555 -11.063 27.104 159 HA HIS 20 HA HIS 20 10.986 -8.443 25.987 160 HB2 HIS 20 HB2 HIS 20 12.404 -9.174 24.130 161 HB3 HIS 20 HB1 HIS 20 13.195 -9.500 25.672 162 HD2 HIS 20 HD2 HIS 20 11.997 -11.437 22.556 163 HE1 HIS 20 HE1 HIS 20 13.016 -14.324 25.463 164 HE2 HIS 20 HE2 HIS 20 12.412 -13.972 23.021 165 H GLU 21 HN GLU 21 9.505 -11.485 26.007 166 HA GLU 21 HA GLU 21 8.381 -11.525 23.400 167 HB2 GLU 21 HB2 GLU 21 7.520 -12.879 25.969 168 HB3 GLU 21 HB1 GLU 21 6.682 -13.101 24.434 169 HG2 GLU 21 HG2 GLU 21 8.670 -13.979 23.389 170 HG3 GLU 21 HG1 GLU 21 9.652 -13.578 24.794 171 H GLU 22 HN GLU 22 7.376 -10.017 26.421 172 HA GLU 22 HA GLU 22 4.741 -9.362 25.656 173 HB2 GLU 22 HB2 GLU 22 5.510 -9.191 27.996 174 HB3 GLU 22 HB1 GLU 22 6.546 -7.833 27.564 175 HG2 GLU 22 HG2 GLU 22 4.585 -6.538 26.850 176 HG3 GLU 22 HG1 GLU 22 3.536 -7.904 27.220 177 H ALA 23 HN ALA 23 7.830 -7.728 25.071 178 HA ALA 23 HA ALA 23 6.773 -5.306 24.090 179 HB1 ALA 23 HB1 ALA 23 8.973 -5.133 22.822 180 HB2 ALA 23 HB2 ALA 23 9.400 -6.700 23.506 181 HB3 ALA 23 HB3 ALA 23 9.105 -5.324 24.568 182 H GLU 24 HN GLU 24 7.320 -8.424 22.508 183 HA GLU 24 HA GLU 24 6.874 -7.529 19.860 184 HB2 GLU 24 HB2 GLU 24 6.561 -10.269 21.112 185 HB3 GLU 24 HB1 GLU 24 6.289 -9.954 19.400 186 HG2 GLU 24 HG2 GLU 24 8.556 -9.189 19.103 187 HG3 GLU 24 HG1 GLU 24 8.858 -9.241 20.837 188 H LEU 25 HN LEU 25 4.684 -8.546 22.433 189 HA LEU 25 HA LEU 25 2.348 -8.755 20.869 190 HB2 LEU 25 HB2 LEU 25 2.424 -9.645 23.150 191 HB3 LEU 25 HB1 LEU 25 2.595 -8.021 23.809 192 HG LEU 25 HG LEU 25 0.384 -7.412 22.869 193 HD11 LEU 25 HD11 LEU 25 0.567 -10.219 21.782 194 HD12 LEU 25 HD12 LEU 25 0.038 -8.746 20.971 195 HD13 LEU 25 HD13 LEU 25 -1.013 -9.524 22.149 196 HD21 LEU 25 HD21 LEU 25 0.242 -9.986 24.464 197 HD22 LEU 25 HD22 LEU 25 -0.934 -8.672 24.457 198 HD23 LEU 25 HD23 LEU 25 0.662 -8.423 25.166 199 H GLU 26 HN GLU 26 3.921 -5.982 22.388 200 HA GLU 26 HA GLU 26 1.844 -4.117 22.060 201 HB2 GLU 26 HB2 GLU 26 3.839 -3.654 23.446 202 HB3 GLU 26 HB1 GLU 26 4.831 -3.566 21.991 203 HG2 GLU 26 HG2 GLU 26 3.484 -1.688 21.162 204 HG3 GLU 26 HG1 GLU 26 2.439 -1.798 22.579 205 H ARG 27 HN ARG 27 4.292 -5.285 19.796 206 HA ARG 27 HA ARG 27 3.951 -3.331 17.817 207 HB2 ARG 27 HB2 ARG 27 5.822 -4.892 17.712 208 HB3 ARG 27 HB1 ARG 27 4.731 -6.254 17.503 209 HG2 ARG 27 HG2 ARG 27 5.617 -5.701 15.340 210 HG3 ARG 27 HG1 ARG 27 3.941 -5.175 15.346 211 HD2 ARG 27 HD2 ARG 27 5.517 -3.502 14.355 212 HD3 ARG 27 HD1 ARG 27 4.613 -2.865 15.717 213 HE ARG 27 HE ARG 27 6.613 -2.730 16.917 214 HH11 ARG 27 HH11 ARG 27 8.876 -2.859 17.076 215 HH12 ARG 27 HH12 ARG 27 9.774 -3.733 15.880 216 HH21 ARG 27 HH21 ARG 27 6.969 -4.638 14.052 217 HH22 ARG 27 HH22 ARG 27 8.694 -4.740 14.168 218 H LEU 28 HN LEU 28 2.109 -6.293 18.482 219 HA LEU 28 HA LEU 28 0.535 -6.233 16.133 220 HB2 LEU 28 HB2 LEU 28 0.041 -7.466 18.853 221 HB3 LEU 28 HB1 LEU 28 -1.125 -7.577 17.538 222 HG LEU 28 HG LEU 28 0.628 -8.583 16.094 223 HD11 LEU 28 HD11 LEU 28 2.672 -9.469 17.449 224 HD12 LEU 28 HD12 LEU 28 2.269 -8.192 18.595 225 HD13 LEU 28 HD13 LEU 28 2.681 -7.785 16.929 226 HD21 LEU 28 HD21 LEU 28 -0.933 -9.940 17.564 227 HD22 LEU 28 HD22 LEU 28 0.385 -10.058 18.731 228 HD23 LEU 28 HD23 LEU 28 0.565 -10.761 17.123 229 H LYS 29 HN LYS 29 0.192 -4.619 19.260 230 HA LYS 29 HA LYS 29 -2.453 -3.709 18.913 231 HB2 LYS 29 HB2 LYS 29 -1.323 -3.597 21.097 232 HB3 LYS 29 HB1 LYS 29 -0.217 -2.371 20.480 233 HG2 LYS 29 HG2 LYS 29 -2.115 -0.862 20.049 234 HG3 LYS 29 HG1 LYS 29 -3.235 -2.096 20.627 235 HD2 LYS 29 HD2 LYS 29 -2.187 -2.036 22.845 236 HD3 LYS 29 HD1 LYS 29 -1.016 -0.846 22.274 237 HE2 LYS 29 HE2 LYS 29 -2.829 0.282 23.477 238 HE3 LYS 29 HE1 LYS 29 -2.882 0.714 21.767 239 HZ1 LYS 29 HZ1 LYS 29 -5.055 0.057 22.850 240 HZ2 LYS 29 HZ2 LYS 29 -4.459 -1.533 22.867 241 HZ3 LYS 29 HZ3 LYS 29 -4.672 -0.718 21.391 242 H SER 30 HN SER 30 0.647 -2.369 17.825 243 HA SER 30 HA SER 30 -0.343 0.117 16.942 244 HB2 SER 30 HB2 SER 30 2.046 -1.481 15.985 245 HB3 SER 30 HB1 SER 30 1.687 0.167 15.481 246 HG SER 30 HG SER 30 2.269 -0.815 18.072 247 H GLU 31 HN GLU 31 -0.230 -3.059 15.379 248 HA GLU 31 HA GLU 31 -0.904 -2.195 12.780 249 HB2 GLU 31 HB2 GLU 31 -0.067 -4.468 13.219 250 HB3 GLU 31 HB1 GLU 31 -1.553 -4.862 14.077 251 HG2 GLU 31 HG2 GLU 31 -1.680 -5.699 11.790 252 HG3 GLU 31 HG1 GLU 31 -2.846 -4.397 11.998 253 H ALA 32 HN ALA 32 -2.889 -2.963 15.608 254 HA ALA 32 HA ALA 32 -5.407 -2.961 14.330 255 HB1 ALA 32 HB1 ALA 32 -4.756 -2.181 17.188 256 HB2 ALA 32 HB2 ALA 32 -5.096 -3.816 16.620 257 HB3 ALA 32 HB3 ALA 32 -6.354 -2.583 16.561 258 H ALA 33 HN ALA 33 -3.264 -0.381 15.182 259 HA ALA 33 HA ALA 33 -5.112 1.732 15.436 260 HB1 ALA 33 HB1 ALA 33 -2.747 2.003 16.056 261 HB2 ALA 33 HB2 ALA 33 -3.247 3.238 14.904 262 HB3 ALA 33 HB3 ALA 33 -2.278 1.872 14.360 263 H ASP 34 HN ASP 34 -3.871 0.081 12.610 264 HA ASP 34 HA ASP 34 -4.516 2.022 10.671 265 HB2 ASP 34 HB2 ASP 34 -4.327 -0.996 10.478 266 HB3 ASP 34 HB1 ASP 34 -4.652 0.040 9.091 267 H HIS 35 HN HIS 35 -6.475 -0.444 12.274 268 HA HIS 35 HA HIS 35 -8.737 -0.264 10.600 269 HB2 HIS 35 HB2 HIS 35 -8.534 -2.098 12.188 270 HB3 HIS 35 HB1 HIS 35 -8.610 -0.981 13.549 271 HD2 HIS 35 HD2 HIS 35 -11.191 -0.462 14.400 272 HE1 HIS 35 HE1 HIS 35 -13.229 -1.909 10.997 273 HE2 HIS 35 HE2 HIS 35 -13.522 -0.964 13.337 274 H ASP 36 HN ASP 36 -7.750 1.660 13.415 275 HA ASP 36 HA ASP 36 -10.155 3.104 13.700 276 HB2 ASP 36 HB2 ASP 36 -8.388 3.121 15.428 277 HB3 ASP 36 HB1 ASP 36 -7.349 4.061 14.359 278 H LYS 37 HN LYS 37 -7.357 3.595 11.591 279 HA LYS 37 HA LYS 37 -8.036 6.181 10.691 280 HB2 LYS 37 HB2 LYS 37 -6.442 3.971 9.360 281 HB3 LYS 37 HB1 LYS 37 -6.627 5.588 8.683 282 HG2 LYS 37 HG2 LYS 37 -5.668 6.568 10.724 283 HG3 LYS 37 HG1 LYS 37 -5.493 4.956 11.422 284 HD2 LYS 37 HD2 LYS 37 -3.971 4.314 9.605 285 HD3 LYS 37 HD1 LYS 37 -4.167 5.902 8.863 286 HE2 LYS 37 HE2 LYS 37 -2.095 5.844 10.172 287 HE3 LYS 37 HE1 LYS 37 -3.246 6.952 10.918 288 HZ1 LYS 37 HZ1 LYS 37 -3.538 5.611 12.687 289 HZ2 LYS 37 HZ2 LYS 37 -1.989 5.052 12.264 290 HZ3 LYS 37 HZ3 LYS 37 -3.369 4.181 11.790 291 H LYS 38 HN LYS 38 -9.088 2.966 9.648 292 HA LYS 38 HA LYS 38 -10.381 3.788 7.266 293 HB2 LYS 38 HB2 LYS 38 -10.865 1.401 9.070 294 HB3 LYS 38 HB1 LYS 38 -11.668 1.641 7.521 295 HG2 LYS 38 HG2 LYS 38 -9.485 1.727 6.387 296 HG3 LYS 38 HG1 LYS 38 -8.669 1.498 7.933 297 HD2 LYS 38 HD2 LYS 38 -9.792 -0.682 8.209 298 HD3 LYS 38 HD1 LYS 38 -10.608 -0.456 6.662 299 HE2 LYS 38 HE2 LYS 38 -8.429 -0.365 5.515 300 HE3 LYS 38 HE1 LYS 38 -7.605 -0.579 7.060 301 HZ1 LYS 38 HZ1 LYS 38 -9.585 -2.570 6.705 302 HZ2 LYS 38 HZ2 LYS 38 -7.915 -2.754 6.943 303 HZ3 LYS 38 HZ3 LYS 38 -8.534 -2.558 5.374 304 H GLU 39 HN GLU 39 -11.307 3.901 10.630 305 HA GLU 39 HA GLU 39 -14.099 4.164 10.282 306 HB2 GLU 39 HB2 GLU 39 -13.101 3.704 12.490 307 HB3 GLU 39 HB1 GLU 39 -12.392 5.318 12.517 308 HG2 GLU 39 HG2 GLU 39 -14.626 6.326 12.412 309 HG3 GLU 39 HG1 GLU 39 -15.358 4.725 12.312 310 H ALA 40 HN ALA 40 -11.472 6.538 10.177 311 HA ALA 40 HA ALA 40 -13.094 8.853 10.136 312 HB1 ALA 40 HB1 ALA 40 -10.675 8.999 10.525 313 HB2 ALA 40 HB2 ALA 40 -11.144 9.998 9.152 314 HB3 ALA 40 HB3 ALA 40 -10.361 8.443 8.879 315 H GLU 41 HN GLU 41 -12.331 6.497 7.690 316 HA GLU 41 HA GLU 41 -12.910 8.050 5.403 317 HB2 GLU 41 HB2 GLU 41 -11.786 5.858 5.240 318 HB3 GLU 41 HB1 GLU 41 -13.270 5.052 5.743 319 HG2 GLU 41 HG2 GLU 41 -14.443 5.936 3.777 320 HG3 GLU 41 HG1 GLU 41 -12.988 6.804 3.286 321 H ARG 42 HN ARG 42 -15.003 6.215 7.597 322 HA ARG 42 HA ARG 42 -17.356 6.398 6.048 323 HB2 ARG 42 HB2 ARG 42 -16.968 6.086 9.038 324 HB3 ARG 42 HB1 ARG 42 -18.543 6.042 8.248 325 HG2 ARG 42 HG2 ARG 42 -17.801 4.173 6.835 326 HG3 ARG 42 HG1 ARG 42 -16.209 4.221 7.595 327 HD2 ARG 42 HD2 ARG 42 -17.244 3.741 9.785 328 HD3 ARG 42 HD1 ARG 42 -18.829 3.680 9.022 329 HE ARG 42 HE ARG 42 -16.764 1.640 8.896 330 HH11 ARG 42 HH11 ARG 42 -17.374 -0.279 7.847 331 HH12 ARG 42 HH12 ARG 42 -18.824 -0.320 6.900 332 HH21 ARG 42 HH21 ARG 42 -19.630 2.997 7.511 333 HH22 ARG 42 HH22 ARG 42 -20.101 1.537 6.710 334 H LYS 43 HN LYS 43 -15.866 8.619 8.363 335 HA LYS 43 HA LYS 43 -18.078 10.405 8.537 336 HB2 LYS 43 HB2 LYS 43 -15.127 10.863 9.050 337 HB3 LYS 43 HB1 LYS 43 -16.404 12.000 9.466 338 HG2 LYS 43 HG2 LYS 43 -16.543 9.154 10.454 339 HG3 LYS 43 HG1 LYS 43 -15.543 10.332 11.296 340 HD2 LYS 43 HD2 LYS 43 -17.540 11.819 11.515 341 HD3 LYS 43 HD1 LYS 43 -18.526 10.560 10.774 342 HE2 LYS 43 HE2 LYS 43 -18.696 10.420 13.213 343 HE3 LYS 43 HE1 LYS 43 -17.867 8.997 12.584 344 HZ1 LYS 43 HZ1 LYS 43 -16.172 9.493 13.893 345 HZ2 LYS 43 HZ2 LYS 43 -16.921 10.928 14.406 346 HZ3 LYS 43 HZ3 LYS 43 -15.929 10.930 13.027 347 H ALA 44 HN ALA 44 -15.631 9.891 6.167 348 HA ALA 44 HA ALA 44 -15.503 12.466 5.014 349 HB1 ALA 44 HB1 ALA 44 -13.918 10.651 4.425 350 HB2 ALA 44 HB2 ALA 44 -14.665 11.368 2.999 351 HB3 ALA 44 HB3 ALA 44 -15.219 9.802 3.587 352 H LEU 45 HN LEU 45 -17.952 10.031 4.934 353 HA LEU 45 HA LEU 45 -19.256 10.768 2.545 354 HB2 LEU 45 HB2 LEU 45 -19.779 8.655 3.657 355 HB3 LEU 45 HB1 LEU 45 -20.442 9.512 5.045 356 HG LEU 45 HG LEU 45 -22.180 10.513 3.593 357 HD11 LEU 45 HD11 LEU 45 -21.282 10.663 1.431 358 HD12 LEU 45 HD12 LEU 45 -22.374 9.292 1.270 359 HD13 LEU 45 HD13 LEU 45 -20.644 9.020 1.472 360 HD21 LEU 45 HD21 LEU 45 -22.611 8.375 4.746 361 HD22 LEU 45 HD22 LEU 45 -21.953 7.495 3.368 362 HD23 LEU 45 HD23 LEU 45 -23.439 8.425 3.190 363 H GLU 46 HN GLU 46 -19.521 12.023 5.855 364 HA GLU 46 HA GLU 46 -21.771 13.668 5.406 365 HB2 GLU 46 HB2 GLU 46 -19.514 13.895 7.418 366 HB3 GLU 46 HB1 GLU 46 -20.904 14.978 7.390 367 HG2 GLU 46 HG2 GLU 46 -22.432 13.131 7.719 368 HG3 GLU 46 HG1 GLU 46 -21.123 11.962 7.554 369 H ASP 47 HN ASP 47 -18.314 14.182 4.856 370 HA ASP 47 HA ASP 47 -18.444 16.955 4.344 371 HB2 ASP 47 HB2 ASP 47 -16.484 14.840 3.408 372 HB3 ASP 47 HB1 ASP 47 -16.306 16.551 3.039 373 H LYS 48 HN LYS 48 -19.030 14.139 2.308 374 HA LYS 48 HA LYS 48 -19.948 13.914 0.202 375 HB2 LYS 48 HB2 LYS 48 -21.014 16.674 0.849 376 HB3 LYS 48 HB1 LYS 48 -21.549 15.670 -0.496 377 HG2 LYS 48 HG2 LYS 48 -22.220 13.900 1.082 378 HG3 LYS 48 HG1 LYS 48 -21.688 14.900 2.433 379 HD2 LYS 48 HD2 LYS 48 -23.325 16.634 1.798 380 HD3 LYS 48 HD1 LYS 48 -23.864 15.631 0.450 381 HE2 LYS 48 HE2 LYS 48 -24.535 13.859 2.027 382 HE3 LYS 48 HE1 LYS 48 -23.992 14.853 3.379 383 HZ1 LYS 48 HZ1 LYS 48 -25.686 16.366 3.062 384 HZ2 LYS 48 HZ2 LYS 48 -26.461 14.894 2.714 385 HZ3 LYS 48 HZ3 LYS 48 -25.951 15.909 1.450 386 H LEU 49 HN LEU 49 -17.233 14.795 0.274 387 HA LEU 49 HA LEU 49 -17.015 16.843 -1.823 388 HB2 LEU 49 HB2 LEU 49 -15.091 15.548 0.073 389 HB3 LEU 49 HB1 LEU 49 -14.443 16.042 -1.482 390 HG LEU 49 HG LEU 49 -14.325 17.742 0.444 391 HD11 LEU 49 HD11 LEU 49 -14.067 18.234 -2.047 392 HD12 LEU 49 HD12 LEU 49 -14.554 19.592 -1.039 393 HD13 LEU 49 HD13 LEU 49 -15.750 18.758 -2.025 394 HD21 LEU 49 HD21 LEU 49 -17.133 18.535 -0.262 395 HD22 LEU 49 HD22 LEU 49 -16.220 18.812 1.217 396 HD23 LEU 49 HD23 LEU 49 -16.909 17.226 0.897 397 H ALA 50 HN ALA 50 -17.386 13.517 -1.553 398 HA ALA 50 HA ALA 50 -15.786 12.569 -3.674 399 HB1 ALA 50 HB1 ALA 50 -18.345 11.486 -2.470 400 HB2 ALA 50 HB2 ALA 50 -16.696 10.903 -2.253 401 HB3 ALA 50 HB3 ALA 50 -17.510 10.686 -3.800 402 H ASP 51 HN ASP 51 -19.003 14.040 -3.645 403 HA ASP 51 HA ASP 51 -20.338 14.820 -5.371 404 HB2 ASP 51 HB2 ASP 51 -18.148 15.995 -5.881 405 HB3 ASP 51 HB1 ASP 51 -17.828 14.716 -7.051 406 H TYR 52 HN TYR 52 -20.188 11.976 -4.962 407 HA TYR 52 HA TYR 52 -21.334 11.101 -7.446 408 HB2 TYR 52 HB2 TYR 52 -18.625 10.069 -6.601 409 HB3 TYR 52 HB1 TYR 52 -19.712 9.102 -7.594 410 HD1 TYR 52 HD1 TYR 52 -17.107 11.474 -7.707 411 HD2 TYR 52 HD2 TYR 52 -20.793 10.427 -9.647 412 HE1 TYR 52 HE1 TYR 52 -16.397 12.723 -9.728 413 HE2 TYR 52 HE2 TYR 52 -20.082 11.672 -11.669 414 HH TYR 52 HH TYR 52 -16.882 12.748 -12.134 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 42.589 -18.638 18.567 2 H2 GLY 1 HT2 GLY 1 42.314 -20.215 19.134 3 H3 GLY 1 HT3 GLY 1 42.125 -18.888 20.179 4 HA2 GLY 1 HA2 GLY 1 40.451 -19.501 17.803 5 HA3 GLY 1 HA1 GLY 1 39.970 -19.692 19.489 6 H SER 2 HN SER 2 41.055 -17.294 17.110 7 HA SER 2 HA SER 2 40.521 -15.006 18.665 8 HB2 SER 2 HB2 SER 2 40.623 -15.361 15.661 9 HB3 SER 2 HB1 SER 2 40.465 -13.801 16.462 10 HG SER 2 HG SER 2 42.622 -14.140 16.171 11 H VAL 3 HN VAL 3 38.450 -16.936 16.534 12 HA VAL 3 HA VAL 3 36.113 -15.496 17.628 13 HB VAL 3 HB VAL 3 35.026 -15.570 15.398 14 HG11 VAL 3 HG11 VAL 3 36.123 -13.619 14.548 15 HG12 VAL 3 HG12 VAL 3 37.659 -14.083 15.276 16 HG13 VAL 3 HG13 VAL 3 36.317 -13.572 16.300 17 HG21 VAL 3 HG21 VAL 3 36.627 -17.418 14.544 18 HG22 VAL 3 HG22 VAL 3 37.767 -16.108 14.237 19 HG23 VAL 3 HG23 VAL 3 36.208 -16.128 13.420 20 H GLU 4 HN GLU 4 37.701 -18.348 17.195 21 HA GLU 4 HA GLU 4 35.624 -20.141 16.520 22 HB2 GLU 4 HB2 GLU 4 37.991 -20.822 16.471 23 HB3 GLU 4 HB1 GLU 4 38.074 -20.699 18.228 24 HG2 GLU 4 HG2 GLU 4 36.348 -22.429 18.452 25 HG3 GLU 4 HG1 GLU 4 36.198 -22.523 16.697 26 H LYS 5 HN LYS 5 36.638 -18.768 19.629 27 HA LYS 5 HA LYS 5 34.906 -20.395 21.210 28 HB2 LYS 5 HB2 LYS 5 36.193 -17.714 21.804 29 HB3 LYS 5 HB1 LYS 5 35.348 -18.704 22.989 30 HG2 LYS 5 HG2 LYS 5 37.612 -19.878 21.377 31 HG3 LYS 5 HG1 LYS 5 37.952 -18.899 22.802 32 HD2 LYS 5 HD2 LYS 5 36.471 -20.408 24.141 33 HD3 LYS 5 HD1 LYS 5 36.279 -21.431 22.718 34 HE2 LYS 5 HE2 LYS 5 38.049 -22.329 24.148 35 HE3 LYS 5 HE1 LYS 5 38.738 -21.747 22.633 36 HZ1 LYS 5 HZ1 LYS 5 39.577 -21.039 25.103 37 HZ2 LYS 5 HZ2 LYS 5 38.580 -19.730 24.675 38 HZ3 LYS 5 HZ3 LYS 5 39.886 -20.169 23.680 39 H LEU 6 HN LEU 6 34.459 -17.559 19.289 40 HA LEU 6 HA LEU 6 31.879 -16.928 20.570 41 HB2 LEU 6 HB2 LEU 6 33.473 -15.512 18.422 42 HB3 LEU 6 HB1 LEU 6 31.854 -15.024 18.904 43 HG LEU 6 HG LEU 6 34.180 -15.259 20.848 44 HD11 LEU 6 HD11 LEU 6 34.299 -12.801 20.717 45 HD12 LEU 6 HD12 LEU 6 33.055 -12.806 19.466 46 HD13 LEU 6 HD13 LEU 6 34.630 -13.534 19.147 47 HD21 LEU 6 HD21 LEU 6 32.534 -13.581 22.068 48 HD22 LEU 6 HD22 LEU 6 32.245 -15.312 22.167 49 HD23 LEU 6 HD23 LEU 6 31.316 -14.328 21.036 50 H THR 7 HN THR 7 32.993 -18.998 18.252 51 HA THR 7 HA THR 7 31.123 -18.702 16.157 52 HB THR 7 HB THR 7 32.522 -21.195 17.152 53 HG1 THR 7 HG1 THR 7 33.124 -19.372 15.065 54 HG21 THR 7 HG21 THR 7 32.113 -21.910 14.740 55 HG22 THR 7 HG22 THR 7 30.970 -20.571 14.633 56 HG23 THR 7 HG23 THR 7 30.691 -21.882 15.781 57 H ALA 8 HN ALA 8 31.047 -20.597 19.149 58 HA ALA 8 HA ALA 8 28.330 -21.539 18.586 59 HB1 ALA 8 HB1 ALA 8 30.108 -23.020 19.624 60 HB2 ALA 8 HB2 ALA 8 28.575 -22.952 20.493 61 HB3 ALA 8 HB3 ALA 8 29.961 -22.036 21.083 62 H ASP 9 HN ASP 9 28.944 -18.651 19.116 63 HA ASP 9 HA ASP 9 27.816 -18.101 21.725 64 HB2 ASP 9 HB2 ASP 9 28.031 -15.772 21.121 65 HB3 ASP 9 HB1 ASP 9 29.500 -16.614 20.635 66 H ALA 10 HN ALA 10 26.472 -19.238 18.982 67 HA ALA 10 HA ALA 10 24.219 -17.581 18.561 68 HB1 ALA 10 HB1 ALA 10 24.852 -19.305 16.933 69 HB2 ALA 10 HB2 ALA 10 23.190 -19.539 17.469 70 HB3 ALA 10 HB3 ALA 10 24.471 -20.572 18.101 71 H GLU 11 HN GLU 11 24.954 -19.947 21.005 72 HA GLU 11 HA GLU 11 22.326 -20.519 21.865 73 HB2 GLU 11 HB2 GLU 11 24.963 -20.582 23.360 74 HB3 GLU 11 HB1 GLU 11 23.435 -21.116 24.056 75 HG2 GLU 11 HG2 GLU 11 23.161 -22.784 22.315 76 HG3 GLU 11 HG1 GLU 11 24.589 -22.189 21.470 77 H LEU 12 HN LEU 12 24.536 -17.867 22.614 78 HA LEU 12 HA LEU 12 22.990 -16.793 24.760 79 HB2 LEU 12 HB2 LEU 12 25.078 -15.526 22.968 80 HB3 LEU 12 HB1 LEU 12 24.324 -14.695 24.321 81 HG LEU 12 HG LEU 12 25.801 -17.335 24.582 82 HD11 LEU 12 HD11 LEU 12 27.580 -15.872 25.648 83 HD12 LEU 12 HD12 LEU 12 26.730 -14.482 24.973 84 HD13 LEU 12 HD13 LEU 12 27.418 -15.701 23.900 85 HD21 LEU 12 HD21 LEU 12 25.885 -16.338 27.042 86 HD22 LEU 12 HD22 LEU 12 24.453 -17.195 26.489 87 HD23 LEU 12 HD23 LEU 12 24.471 -15.433 26.506 88 H GLN 13 HN GLN 13 22.779 -16.615 21.308 89 HA GLN 13 HA GLN 13 21.330 -14.214 21.054 90 HB2 GLN 13 HB2 GLN 13 22.338 -15.417 19.119 91 HB3 GLN 13 HB1 GLN 13 21.103 -16.663 19.268 92 HG2 GLN 13 HG2 GLN 13 20.428 -15.065 17.562 93 HG3 GLN 13 HG1 GLN 13 19.352 -14.913 18.948 94 HE21 GLN 13 HE21 GLN 13 22.466 -13.489 17.783 95 HE22 GLN 13 HE22 GLN 13 22.097 -11.915 18.299 96 H ARG 14 HN ARG 14 20.265 -17.509 21.819 97 HA ARG 14 HA ARG 14 17.495 -17.040 21.530 98 HB2 ARG 14 HB2 ARG 14 18.984 -19.038 23.258 99 HB3 ARG 14 HB1 ARG 14 17.231 -19.001 23.090 100 HG2 ARG 14 HG2 ARG 14 17.393 -19.365 20.699 101 HG3 ARG 14 HG1 ARG 14 19.151 -19.231 20.759 102 HD2 ARG 14 HD2 ARG 14 17.549 -21.335 22.237 103 HD3 ARG 14 HD1 ARG 14 18.342 -21.601 20.688 104 HE ARG 14 HE ARG 14 20.283 -20.608 22.434 105 HH11 ARG 14 HH11 ARG 14 21.674 -22.033 23.527 106 HH12 ARG 14 HH12 ARG 14 21.211 -23.687 23.749 107 HH21 ARG 14 HH21 ARG 14 18.170 -23.331 22.124 108 HH22 ARG 14 HH22 ARG 14 19.227 -24.422 22.955 109 H LEU 15 HN LEU 15 19.722 -16.458 24.217 110 HA LEU 15 HA LEU 15 17.765 -15.934 26.177 111 HB2 LEU 15 HB2 LEU 15 20.101 -16.304 26.803 112 HB3 LEU 15 HB1 LEU 15 20.589 -14.827 25.980 113 HG LEU 15 HG LEU 15 19.168 -13.506 27.523 114 HD11 LEU 15 HD11 LEU 15 18.474 -16.260 28.533 115 HD12 LEU 15 HD12 LEU 15 17.408 -14.893 28.214 116 HD13 LEU 15 HD13 LEU 15 18.439 -14.889 29.641 117 HD21 LEU 15 HD21 LEU 15 21.502 -13.838 28.115 118 HD22 LEU 15 HD22 LEU 15 21.138 -15.412 28.820 119 HD23 LEU 15 HD23 LEU 15 20.531 -13.943 29.584 120 H LYS 16 HN LYS 16 19.262 -13.838 23.734 121 HA LYS 16 HA LYS 16 18.198 -11.406 24.690 122 HB2 LYS 16 HB2 LYS 16 19.051 -12.237 21.902 123 HB3 LYS 16 HB1 LYS 16 18.530 -10.605 22.315 124 HG2 LYS 16 HG2 LYS 16 20.298 -10.465 24.024 125 HG3 LYS 16 HG1 LYS 16 20.822 -12.100 23.621 126 HD2 LYS 16 HD2 LYS 16 21.349 -11.394 21.333 127 HD3 LYS 16 HD1 LYS 16 20.772 -9.765 21.687 128 HE2 LYS 16 HE2 LYS 16 23.216 -9.838 21.863 129 HE3 LYS 16 HE1 LYS 16 22.509 -9.559 23.454 130 HZ1 LYS 16 HZ1 LYS 16 22.856 -12.340 22.745 131 HZ2 LYS 16 HZ2 LYS 16 23.197 -11.538 24.202 132 HZ3 LYS 16 HZ3 LYS 16 24.302 -11.471 22.913 133 H ASN 17 HN ASN 17 16.850 -13.903 22.570 134 HA ASN 17 HA ASN 17 14.599 -12.437 21.699 135 HB2 ASN 17 HB2 ASN 17 15.056 -15.420 21.970 136 HB3 ASN 17 HB1 ASN 17 13.575 -14.727 21.311 137 HD21 ASN 17 HD21 ASN 17 15.404 -16.343 19.747 138 HD22 ASN 17 HD22 ASN 17 16.050 -15.348 18.533 139 H GLU 18 HN GLU 18 15.181 -14.362 24.614 140 HA GLU 18 HA GLU 18 12.507 -14.427 25.521 141 HB2 GLU 18 HB2 GLU 18 15.125 -14.606 27.037 142 HB3 GLU 18 HB1 GLU 18 13.547 -14.793 27.798 143 HG2 GLU 18 HG2 GLU 18 13.015 -16.678 26.375 144 HG3 GLU 18 HG1 GLU 18 14.486 -16.436 25.435 145 H ARG 19 HN ARG 19 15.065 -12.006 25.870 146 HA ARG 19 HA ARG 19 13.677 -10.408 27.788 147 HB2 ARG 19 HB2 ARG 19 15.880 -9.679 25.838 148 HB3 ARG 19 HB1 ARG 19 15.312 -8.651 27.152 149 HG2 ARG 19 HG2 ARG 19 15.918 -10.391 28.789 150 HG3 ARG 19 HG1 ARG 19 16.489 -11.426 27.479 151 HD2 ARG 19 HD2 ARG 19 18.402 -10.288 28.448 152 HD3 ARG 19 HD1 ARG 19 18.113 -9.634 26.838 153 HE ARG 19 HE ARG 19 17.534 -7.597 27.814 154 HH11 ARG 19 HH11 ARG 19 17.370 -6.195 29.594 155 HH12 ARG 19 HH12 ARG 19 17.387 -6.839 31.202 156 HH21 ARG 19 HH21 ARG 19 17.701 -10.132 30.164 157 HH22 ARG 19 HH22 ARG 19 17.575 -9.068 31.523 158 H HIS 20 HN HIS 20 12.429 -8.588 27.508 159 HA HIS 20 HA HIS 20 10.830 -7.248 26.498 160 HB2 HIS 20 HB2 HIS 20 12.736 -7.502 24.158 161 HB3 HIS 20 HB1 HIS 20 11.421 -6.336 24.280 162 HD2 HIS 20 HD2 HIS 20 12.486 -6.152 27.733 163 HE1 HIS 20 HE1 HIS 20 15.425 -3.817 25.802 164 HE2 HIS 20 HE2 HIS 20 14.389 -4.392 28.048 165 H GLU 21 HN GLU 21 10.506 -10.177 26.388 166 HA GLU 21 HA GLU 21 9.575 -10.970 23.832 167 HB2 GLU 21 HB2 GLU 21 10.169 -12.626 25.544 168 HB3 GLU 21 HB1 GLU 21 8.805 -12.118 26.535 169 HG2 GLU 21 HG2 GLU 21 7.241 -12.776 24.765 170 HG3 GLU 21 HG1 GLU 21 8.591 -13.219 23.720 171 H GLU 22 HN GLU 22 7.872 -9.513 26.602 172 HA GLU 22 HA GLU 22 5.281 -9.777 25.512 173 HB2 GLU 22 HB2 GLU 22 4.604 -8.118 27.180 174 HB3 GLU 22 HB1 GLU 22 5.645 -9.342 27.895 175 HG2 GLU 22 HG2 GLU 22 6.922 -6.822 26.844 176 HG3 GLU 22 HG1 GLU 22 6.055 -6.750 28.369 177 H ALA 23 HN ALA 23 7.881 -7.694 24.737 178 HA ALA 23 HA ALA 23 6.474 -5.432 23.800 179 HB1 ALA 23 HB1 ALA 23 8.470 -4.888 22.517 180 HB2 ALA 23 HB2 ALA 23 9.092 -6.523 22.720 181 HB3 ALA 23 HB3 ALA 23 8.938 -5.457 24.117 182 H GLU 24 HN GLU 24 6.962 -8.601 22.419 183 HA GLU 24 HA GLU 24 6.410 -7.962 19.722 184 HB2 GLU 24 HB2 GLU 24 7.366 -10.140 20.371 185 HB3 GLU 24 HB1 GLU 24 5.853 -10.582 21.159 186 HG2 GLU 24 HG2 GLU 24 4.662 -10.399 19.021 187 HG3 GLU 24 HG1 GLU 24 6.150 -9.890 18.223 188 H LEU 25 HN LEU 25 4.274 -8.695 22.458 189 HA LEU 25 HA LEU 25 1.883 -8.832 20.932 190 HB2 LEU 25 HB2 LEU 25 2.337 -8.230 23.868 191 HB3 LEU 25 HB1 LEU 25 0.740 -8.355 23.142 192 HG LEU 25 HG LEU 25 2.830 -10.549 22.991 193 HD11 LEU 25 HD11 LEU 25 0.442 -10.325 24.843 194 HD12 LEU 25 HD12 LEU 25 2.117 -10.068 25.330 195 HD13 LEU 25 HD13 LEU 25 1.594 -11.658 24.776 196 HD21 LEU 25 HD21 LEU 25 -0.031 -10.260 22.092 197 HD22 LEU 25 HD22 LEU 25 0.531 -11.843 22.622 198 HD23 LEU 25 HD23 LEU 25 1.324 -11.036 21.274 199 H GLU 26 HN GLU 26 3.658 -6.163 22.399 200 HA GLU 26 HA GLU 26 1.654 -4.194 22.110 201 HB2 GLU 26 HB2 GLU 26 3.646 -3.833 23.518 202 HB3 GLU 26 HB1 GLU 26 4.667 -3.797 22.083 203 HG2 GLU 26 HG2 GLU 26 3.441 -1.846 21.236 204 HG3 GLU 26 HG1 GLU 26 2.365 -1.902 22.632 205 H ARG 27 HN ARG 27 4.111 -5.404 19.858 206 HA ARG 27 HA ARG 27 3.743 -3.418 17.885 207 HB2 ARG 27 HB2 ARG 27 4.742 -6.273 17.679 208 HB3 ARG 27 HB1 ARG 27 4.671 -5.185 16.299 209 HG2 ARG 27 HG2 ARG 27 6.065 -4.317 18.826 210 HG3 ARG 27 HG1 ARG 27 6.894 -5.360 17.677 211 HD2 ARG 27 HD2 ARG 27 5.686 -2.646 17.038 212 HD3 ARG 27 HD1 ARG 27 7.396 -2.990 17.237 213 HE ARG 27 HE ARG 27 5.756 -3.648 14.934 214 HH11 ARG 27 HH11 ARG 27 6.891 -4.523 13.170 215 HH12 ARG 27 HH12 ARG 27 8.517 -5.077 13.382 216 HH21 ARG 27 HH21 ARG 27 8.636 -4.261 16.751 217 HH22 ARG 27 HH22 ARG 27 9.506 -4.929 15.409 218 H LEU 28 HN LEU 28 2.028 -6.447 18.530 219 HA LEU 28 HA LEU 28 0.528 -6.458 16.124 220 HB2 LEU 28 HB2 LEU 28 -0.037 -7.718 18.821 221 HB3 LEU 28 HB1 LEU 28 -1.077 -7.934 17.420 222 HG LEU 28 HG LEU 28 1.889 -8.577 17.425 223 HD11 LEU 28 HD11 LEU 28 -0.480 -10.439 17.768 224 HD12 LEU 28 HD12 LEU 28 0.651 -9.985 19.042 225 HD13 LEU 28 HD13 LEU 28 1.212 -10.925 17.659 226 HD21 LEU 28 HD21 LEU 28 1.316 -8.396 15.168 227 HD22 LEU 28 HD22 LEU 28 -0.359 -8.873 15.439 228 HD23 LEU 28 HD23 LEU 28 0.919 -10.086 15.455 229 H LYS 29 HN LYS 29 -0.017 -4.924 19.268 230 HA LYS 29 HA LYS 29 -2.678 -4.098 18.736 231 HB2 LYS 29 HB2 LYS 29 -0.607 -3.023 20.660 232 HB3 LYS 29 HB1 LYS 29 -2.243 -2.380 20.553 233 HG2 LYS 29 HG2 LYS 29 -3.100 -4.731 20.929 234 HG3 LYS 29 HG1 LYS 29 -1.442 -5.218 21.262 235 HD2 LYS 29 HD2 LYS 29 -2.819 -2.975 22.754 236 HD3 LYS 29 HD1 LYS 29 -2.852 -4.647 23.304 237 HE2 LYS 29 HE2 LYS 29 -0.334 -4.633 23.271 238 HE3 LYS 29 HE1 LYS 29 -0.400 -2.905 22.925 239 HZ1 LYS 29 HZ1 LYS 29 -0.316 -3.881 25.380 240 HZ2 LYS 29 HZ2 LYS 29 -2.000 -3.827 25.166 241 HZ3 LYS 29 HZ3 LYS 29 -1.074 -2.413 24.996 242 H SER 30 HN SER 30 0.466 -2.638 18.030 243 HA SER 30 HA SER 30 -0.484 -0.089 17.271 244 HB2 SER 30 HB2 SER 30 1.663 0.164 16.137 245 HB3 SER 30 HB1 SER 30 1.899 -0.592 17.709 246 HG SER 30 HG SER 30 2.460 -1.531 15.246 247 H GLU 31 HN GLU 31 -0.566 -3.163 15.692 248 HA GLU 31 HA GLU 31 -0.747 -2.294 13.011 249 HB2 GLU 31 HB2 GLU 31 -0.346 -4.651 13.577 250 HB3 GLU 31 HB1 GLU 31 -1.968 -4.782 14.248 251 HG2 GLU 31 HG2 GLU 31 -1.943 -5.665 11.975 252 HG3 GLU 31 HG1 GLU 31 -2.911 -4.196 12.019 253 H ALA 32 HN ALA 32 -3.175 -2.655 15.561 254 HA ALA 32 HA ALA 32 -5.468 -2.289 13.950 255 HB1 ALA 32 HB1 ALA 32 -5.612 -3.146 16.255 256 HB2 ALA 32 HB2 ALA 32 -6.639 -1.730 16.035 257 HB3 ALA 32 HB3 ALA 32 -5.097 -1.575 16.876 258 H ALA 33 HN ALA 33 -3.082 -0.057 15.077 259 HA ALA 33 HA ALA 33 -4.606 2.310 15.089 260 HB1 ALA 33 HB1 ALA 33 -1.661 1.977 14.418 261 HB2 ALA 33 HB2 ALA 33 -2.345 2.295 16.011 262 HB3 ALA 33 HB3 ALA 33 -2.468 3.511 14.744 263 H ASP 34 HN ASP 34 -3.109 0.523 12.436 264 HA ASP 34 HA ASP 34 -3.558 2.568 10.482 265 HB2 ASP 34 HB2 ASP 34 -1.870 0.721 10.216 266 HB3 ASP 34 HB1 ASP 34 -3.209 -0.399 9.964 267 H HIS 35 HN HIS 35 -5.477 -0.034 11.808 268 HA HIS 35 HA HIS 35 -7.539 0.278 9.743 269 HB2 HIS 35 HB2 HIS 35 -7.388 -1.586 12.123 270 HB3 HIS 35 HB1 HIS 35 -8.632 -1.610 10.873 271 HD2 HIS 35 HD2 HIS 35 -5.191 -3.142 11.487 272 HE1 HIS 35 HE1 HIS 35 -5.860 -3.445 7.330 273 HE2 HIS 35 HE2 HIS 35 -4.376 -4.205 9.247 274 H ASP 36 HN ASP 36 -6.759 1.947 12.476 275 HA ASP 36 HA ASP 36 -9.413 2.134 13.640 276 HB2 ASP 36 HB2 ASP 36 -8.457 3.740 15.153 277 HB3 ASP 36 HB1 ASP 36 -7.318 2.407 14.985 278 H LYS 37 HN LYS 37 -8.093 3.267 10.841 279 HA LYS 37 HA LYS 37 -8.870 5.981 10.760 280 HB2 LYS 37 HB2 LYS 37 -8.707 5.789 8.354 281 HB3 LYS 37 HB1 LYS 37 -7.382 4.886 9.087 282 HG2 LYS 37 HG2 LYS 37 -8.853 2.815 8.922 283 HG3 LYS 37 HG1 LYS 37 -9.953 3.773 7.933 284 HD2 LYS 37 HD2 LYS 37 -7.016 3.478 7.264 285 HD3 LYS 37 HD1 LYS 37 -8.241 2.367 6.658 286 HE2 LYS 37 HE2 LYS 37 -9.468 4.335 5.694 287 HE3 LYS 37 HE1 LYS 37 -8.114 5.358 6.174 288 HZ1 LYS 37 HZ1 LYS 37 -6.845 4.599 4.525 289 HZ2 LYS 37 HZ2 LYS 37 -8.301 4.076 3.823 290 HZ3 LYS 37 HZ3 LYS 37 -7.349 2.992 4.721 291 H LYS 38 HN LYS 38 -10.677 3.020 10.381 292 HA LYS 38 HA LYS 38 -12.957 4.068 9.095 293 HB2 LYS 38 HB2 LYS 38 -12.577 1.642 9.277 294 HB3 LYS 38 HB1 LYS 38 -12.828 1.720 11.020 295 HG2 LYS 38 HG2 LYS 38 -15.120 2.540 10.668 296 HG3 LYS 38 HG1 LYS 38 -14.868 2.512 8.921 297 HD2 LYS 38 HD2 LYS 38 -14.462 0.074 9.028 298 HD3 LYS 38 HD1 LYS 38 -14.745 0.110 10.769 299 HE2 LYS 38 HE2 LYS 38 -16.763 0.965 8.673 300 HE3 LYS 38 HE1 LYS 38 -16.772 -0.591 9.504 301 HZ1 LYS 38 HZ1 LYS 38 -16.586 1.659 11.281 302 HZ2 LYS 38 HZ2 LYS 38 -17.621 0.314 11.335 303 HZ3 LYS 38 HZ3 LYS 38 -18.013 1.653 10.367 304 H GLU 39 HN GLU 39 -12.031 3.943 12.512 305 HA GLU 39 HA GLU 39 -14.508 4.773 13.576 306 HB2 GLU 39 HB2 GLU 39 -11.688 5.063 14.649 307 HB3 GLU 39 HB1 GLU 39 -13.125 5.545 15.548 308 HG2 GLU 39 HG2 GLU 39 -14.004 3.291 15.477 309 HG3 GLU 39 HG1 GLU 39 -12.702 2.772 14.406 310 H ALA 40 HN ALA 40 -11.791 6.589 12.229 311 HA ALA 40 HA ALA 40 -12.584 9.152 13.106 312 HB1 ALA 40 HB1 ALA 40 -10.354 8.772 12.161 313 HB2 ALA 40 HB2 ALA 40 -11.197 10.030 11.261 314 HB3 ALA 40 HB3 ALA 40 -11.064 8.409 10.586 315 H GLU 41 HN GLU 41 -13.771 7.089 10.570 316 HA GLU 41 HA GLU 41 -15.043 9.050 8.982 317 HB2 GLU 41 HB2 GLU 41 -14.719 6.738 8.185 318 HB3 GLU 41 HB1 GLU 41 -15.880 6.154 9.375 319 HG2 GLU 41 HG2 GLU 41 -17.642 7.526 8.360 320 HG3 GLU 41 HG1 GLU 41 -16.484 8.175 7.199 321 H ARG 42 HN ARG 42 -16.080 7.337 11.906 322 HA ARG 42 HA ARG 42 -18.777 8.158 11.855 323 HB2 ARG 42 HB2 ARG 42 -18.012 6.376 13.357 324 HB3 ARG 42 HB1 ARG 42 -17.061 7.535 14.285 325 HG2 ARG 42 HG2 ARG 42 -19.074 8.750 14.916 326 HG3 ARG 42 HG1 ARG 42 -20.059 7.715 13.882 327 HD2 ARG 42 HD2 ARG 42 -20.231 6.963 16.203 328 HD3 ARG 42 HD1 ARG 42 -19.386 5.751 15.243 329 HE ARG 42 HE ARG 42 -17.535 7.565 16.436 330 HH11 ARG 42 HH11 ARG 42 -16.315 6.798 18.191 331 HH12 ARG 42 HH12 ARG 42 -16.836 5.388 19.051 332 HH21 ARG 42 HH21 ARG 42 -19.652 4.907 17.086 333 HH22 ARG 42 HH22 ARG 42 -18.726 4.317 18.424 334 H LYS 43 HN LYS 43 -15.862 9.752 13.103 335 HA LYS 43 HA LYS 43 -17.257 11.903 14.363 336 HB2 LYS 43 HB2 LYS 43 -14.389 11.642 13.439 337 HB3 LYS 43 HB1 LYS 43 -15.007 13.026 14.340 338 HG2 LYS 43 HG2 LYS 43 -15.796 11.405 16.117 339 HG3 LYS 43 HG1 LYS 43 -14.919 10.140 15.262 340 HD2 LYS 43 HD2 LYS 43 -13.604 12.700 16.201 341 HD3 LYS 43 HD1 LYS 43 -13.660 11.238 17.183 342 HE2 LYS 43 HE2 LYS 43 -12.547 10.008 15.289 343 HE3 LYS 43 HE1 LYS 43 -12.354 11.555 14.464 344 HZ1 LYS 43 HZ1 LYS 43 -11.216 12.342 16.533 345 HZ2 LYS 43 HZ2 LYS 43 -10.370 11.179 15.629 346 HZ3 LYS 43 HZ3 LYS 43 -11.185 10.729 17.051 347 H ALA 44 HN ALA 44 -16.343 11.229 11.096 348 HA ALA 44 HA ALA 44 -16.186 13.856 10.082 349 HB1 ALA 44 HB1 ALA 44 -15.475 11.887 8.767 350 HB2 ALA 44 HB2 ALA 44 -16.624 12.883 7.878 351 HB3 ALA 44 HB3 ALA 44 -17.158 11.378 8.621 352 H LEU 45 HN LEU 45 -18.922 11.894 10.981 353 HA LEU 45 HA LEU 45 -20.918 13.260 9.523 354 HB2 LEU 45 HB2 LEU 45 -21.044 11.640 12.078 355 HB3 LEU 45 HB1 LEU 45 -22.467 12.400 11.371 356 HG LEU 45 HG LEU 45 -22.115 11.185 9.274 357 HD11 LEU 45 HD11 LEU 45 -20.337 9.291 9.401 358 HD12 LEU 45 HD12 LEU 45 -19.618 10.252 10.693 359 HD13 LEU 45 HD13 LEU 45 -19.777 10.929 9.072 360 HD21 LEU 45 HD21 LEU 45 -23.470 10.081 10.965 361 HD22 LEU 45 HD22 LEU 45 -22.031 9.455 11.766 362 HD23 LEU 45 HD23 LEU 45 -22.476 8.863 10.166 363 H GLU 46 HN GLU 46 -19.395 13.924 12.647 364 HA GLU 46 HA GLU 46 -21.188 15.934 13.492 365 HB2 GLU 46 HB2 GLU 46 -18.268 15.465 14.162 366 HB3 GLU 46 HB1 GLU 46 -19.247 16.728 14.908 367 HG2 GLU 46 HG2 GLU 46 -20.804 15.097 15.780 368 HG3 GLU 46 HG1 GLU 46 -20.007 13.797 14.895 369 H ASP 47 HN ASP 47 -18.353 16.031 11.375 370 HA ASP 47 HA ASP 47 -18.117 18.849 11.236 371 HB2 ASP 47 HB2 ASP 47 -17.306 16.668 9.296 372 HB3 ASP 47 HB1 ASP 47 -16.953 18.375 9.036 373 H LYS 48 HN LYS 48 -20.294 16.586 9.738 374 HA LYS 48 HA LYS 48 -21.231 18.507 7.744 375 HB2 LYS 48 HB2 LYS 48 -22.305 15.765 8.463 376 HB3 LYS 48 HB1 LYS 48 -22.734 16.717 7.044 377 HG2 LYS 48 HG2 LYS 48 -19.930 15.731 7.649 378 HG3 LYS 48 HG1 LYS 48 -21.053 14.919 6.564 379 HD2 LYS 48 HD2 LYS 48 -21.189 17.127 5.275 380 HD3 LYS 48 HD1 LYS 48 -19.800 17.651 6.226 381 HE2 LYS 48 HE2 LYS 48 -19.869 15.135 4.543 382 HE3 LYS 48 HE1 LYS 48 -19.120 16.656 4.052 383 HZ1 LYS 48 HZ1 LYS 48 -17.886 14.677 5.416 384 HZ2 LYS 48 HZ2 LYS 48 -18.308 15.756 6.659 385 HZ3 LYS 48 HZ3 LYS 48 -17.364 16.291 5.352 386 H LEU 49 HN LEU 49 -21.683 18.077 10.978 387 HA LEU 49 HA LEU 49 -23.290 18.790 12.493 388 HB2 LEU 49 HB2 LEU 49 -24.322 20.399 10.143 389 HB3 LEU 49 HB1 LEU 49 -24.622 20.711 11.850 390 HG LEU 49 HG LEU 49 -21.898 20.763 10.514 391 HD11 LEU 49 HD11 LEU 49 -23.516 23.066 11.637 392 HD12 LEU 49 HD12 LEU 49 -23.508 22.634 9.928 393 HD13 LEU 49 HD13 LEU 49 -22.018 23.159 10.712 394 HD21 LEU 49 HD21 LEU 49 -22.846 21.119 13.361 395 HD22 LEU 49 HD22 LEU 49 -21.397 21.955 12.803 396 HD23 LEU 49 HD23 LEU 49 -21.467 20.197 12.758 397 H ALA 50 HN ALA 50 -23.786 16.431 10.762 398 HA ALA 50 HA ALA 50 -26.502 16.335 9.976 399 HB1 ALA 50 HB1 ALA 50 -24.712 14.043 10.849 400 HB2 ALA 50 HB2 ALA 50 -24.892 14.650 9.202 401 HB3 ALA 50 HB3 ALA 50 -26.255 13.882 10.012 402 H ASP 51 HN ASP 51 -24.955 16.047 13.079 403 HA ASP 51 HA ASP 51 -26.995 14.678 14.465 404 HB2 ASP 51 HB2 ASP 51 -24.743 15.019 15.425 405 HB3 ASP 51 HB1 ASP 51 -25.074 16.742 15.595 406 H TYR 52 HN TYR 52 -26.591 18.113 13.686 407 HA TYR 52 HA TYR 52 -28.954 18.855 15.224 408 HB2 TYR 52 HB2 TYR 52 -27.095 20.446 15.091 409 HB3 TYR 52 HB1 TYR 52 -27.235 20.488 13.332 410 HD1 TYR 52 HD1 TYR 52 -29.080 21.194 16.496 411 HD2 TYR 52 HD2 TYR 52 -28.831 21.886 12.264 412 HE1 TYR 52 HE1 TYR 52 -30.827 22.943 16.678 413 HE2 TYR 52 HE2 TYR 52 -30.578 23.636 12.447 414 HH TYR 52 HH TYR 52 -32.538 23.998 15.143 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 23.733 -33.370 20.747 2 H2 GLY 1 HT2 GLY 1 23.022 -32.556 22.059 3 H3 GLY 1 HT3 GLY 1 22.045 -33.236 20.845 4 HA2 GLY 1 HA2 GLY 1 22.995 -35.461 21.478 5 HA3 GLY 1 HA1 GLY 1 23.650 -34.644 22.897 6 H SER 2 HN SER 2 20.624 -35.228 21.127 7 HA SER 2 HA SER 2 18.866 -34.302 23.134 8 HB2 SER 2 HB2 SER 2 17.143 -35.532 21.923 9 HB3 SER 2 HB1 SER 2 18.198 -34.702 20.784 10 HG SER 2 HG SER 2 19.390 -36.765 20.735 11 H VAL 3 HN VAL 3 20.676 -37.226 22.784 12 HA VAL 3 HA VAL 3 19.103 -38.904 24.443 13 HB VAL 3 HB VAL 3 22.035 -39.035 23.678 14 HG11 VAL 3 HG11 VAL 3 21.816 -41.424 24.550 15 HG12 VAL 3 HG12 VAL 3 20.351 -40.890 25.375 16 HG13 VAL 3 HG13 VAL 3 21.906 -40.166 25.783 17 HG21 VAL 3 HG21 VAL 3 21.164 -41.023 22.388 18 HG22 VAL 3 HG22 VAL 3 20.528 -39.479 21.829 19 HG23 VAL 3 HG23 VAL 3 19.531 -40.529 22.833 20 H GLU 4 HN GLU 4 21.776 -36.671 25.178 21 HA GLU 4 HA GLU 4 22.108 -37.457 27.862 22 HB2 GLU 4 HB2 GLU 4 22.723 -34.837 26.474 23 HB3 GLU 4 HB1 GLU 4 23.127 -35.160 28.159 24 HG2 GLU 4 HG2 GLU 4 24.509 -37.042 27.535 25 HG3 GLU 4 HG1 GLU 4 23.990 -36.923 25.855 26 H LYS 5 HN LYS 5 19.902 -35.056 26.415 27 HA LYS 5 HA LYS 5 18.928 -34.252 29.036 28 HB2 LYS 5 HB2 LYS 5 17.268 -32.931 27.630 29 HB3 LYS 5 HB1 LYS 5 18.969 -32.512 27.430 30 HG2 LYS 5 HG2 LYS 5 19.118 -33.802 25.392 31 HG3 LYS 5 HG1 LYS 5 17.501 -34.455 25.631 32 HD2 LYS 5 HD2 LYS 5 17.228 -32.724 24.030 33 HD3 LYS 5 HD1 LYS 5 16.674 -32.029 25.550 34 HE2 LYS 5 HE2 LYS 5 18.779 -30.860 25.851 35 HE3 LYS 5 HE1 LYS 5 19.482 -31.681 24.457 36 HZ1 LYS 5 HZ1 LYS 5 18.060 -29.303 24.484 37 HZ2 LYS 5 HZ2 LYS 5 17.055 -30.443 23.727 38 HZ3 LYS 5 HZ3 LYS 5 18.619 -30.156 23.128 39 H LEU 6 HN LEU 6 17.930 -36.305 26.367 40 HA LEU 6 HA LEU 6 16.148 -37.760 26.112 41 HB2 LEU 6 HB2 LEU 6 17.500 -38.548 28.255 42 HB3 LEU 6 HB1 LEU 6 16.036 -38.063 29.102 43 HG LEU 6 HG LEU 6 14.823 -39.499 27.242 44 HD11 LEU 6 HD11 LEU 6 17.128 -39.828 26.076 45 HD12 LEU 6 HD12 LEU 6 16.077 -41.231 26.244 46 HD13 LEU 6 HD13 LEU 6 17.437 -41.011 27.343 47 HD21 LEU 6 HD21 LEU 6 15.160 -41.553 28.685 48 HD22 LEU 6 HD22 LEU 6 14.714 -40.100 29.578 49 HD23 LEU 6 HD23 LEU 6 16.389 -40.651 29.571 50 H THR 7 HN THR 7 15.710 -34.799 27.328 51 HA THR 7 HA THR 7 12.775 -35.139 27.511 52 HB THR 7 HB THR 7 12.696 -33.473 29.311 53 HG1 THR 7 HG1 THR 7 14.600 -32.375 28.874 54 HG21 THR 7 HG21 THR 7 14.493 -35.856 29.824 55 HG22 THR 7 HG22 THR 7 12.739 -35.794 29.991 56 HG23 THR 7 HG23 THR 7 13.762 -34.881 31.099 57 H ALA 8 HN ALA 8 11.577 -33.194 27.030 58 HA ALA 8 HA ALA 8 12.884 -31.608 24.933 59 HB1 ALA 8 HB1 ALA 8 10.607 -32.699 24.614 60 HB2 ALA 8 HB2 ALA 8 10.694 -30.980 24.233 61 HB3 ALA 8 HB3 ALA 8 9.976 -31.509 25.754 62 H ASP 9 HN ASP 9 12.555 -31.377 28.183 63 HA ASP 9 HA ASP 9 11.633 -28.749 28.614 64 HB2 ASP 9 HB2 ASP 9 13.512 -30.490 30.224 65 HB3 ASP 9 HB1 ASP 9 12.978 -28.900 30.757 66 H ALA 10 HN ALA 10 14.741 -29.975 27.562 67 HA ALA 10 HA ALA 10 16.303 -27.704 28.149 68 HB1 ALA 10 HB1 ALA 10 17.386 -29.784 27.508 69 HB2 ALA 10 HB2 ALA 10 17.847 -28.512 26.381 70 HB3 ALA 10 HB3 ALA 10 16.657 -29.717 25.904 71 H GLU 11 HN GLU 11 14.175 -28.426 25.410 72 HA GLU 11 HA GLU 11 14.988 -26.272 23.773 73 HB2 GLU 11 HB2 GLU 11 12.362 -27.780 23.917 74 HB3 GLU 11 HB1 GLU 11 12.702 -26.531 22.722 75 HG2 GLU 11 HG2 GLU 11 14.591 -27.778 21.866 76 HG3 GLU 11 HG1 GLU 11 14.441 -28.971 23.155 77 H LEU 12 HN LEU 12 12.668 -26.480 26.435 78 HA LEU 12 HA LEU 12 11.529 -23.897 26.034 79 HB2 LEU 12 HB2 LEU 12 11.644 -25.672 28.486 80 HB3 LEU 12 HB1 LEU 12 10.784 -24.139 28.436 81 HG LEU 12 HG LEU 12 10.268 -26.422 26.502 82 HD11 LEU 12 HD11 LEU 12 8.163 -26.703 27.894 83 HD12 LEU 12 HD12 LEU 12 8.921 -25.668 29.104 84 HD13 LEU 12 HD13 LEU 12 9.658 -27.213 28.681 85 HD21 LEU 12 HD21 LEU 12 9.393 -24.524 25.454 86 HD22 LEU 12 HD22 LEU 12 9.047 -23.706 26.976 87 HD23 LEU 12 HD23 LEU 12 8.011 -25.018 26.424 88 H GLN 13 HN GLN 13 14.423 -25.047 27.596 89 HA GLN 13 HA GLN 13 14.937 -22.814 29.243 90 HB2 GLN 13 HB2 GLN 13 16.173 -24.951 29.463 91 HB3 GLN 13 HB1 GLN 13 16.988 -24.632 27.932 92 HG2 GLN 13 HG2 GLN 13 17.927 -22.547 28.868 93 HG3 GLN 13 HG1 GLN 13 17.115 -22.874 30.397 94 HE21 GLN 13 HE21 GLN 13 18.551 -23.744 31.888 95 HE22 GLN 13 HE22 GLN 13 19.815 -24.813 31.516 96 H ARG 14 HN ARG 14 15.595 -23.401 25.815 97 HA ARG 14 HA ARG 14 17.298 -21.197 25.396 98 HB2 ARG 14 HB2 ARG 14 17.054 -22.986 23.723 99 HB3 ARG 14 HB1 ARG 14 15.400 -22.475 23.397 100 HG2 ARG 14 HG2 ARG 14 16.192 -20.280 22.656 101 HG3 ARG 14 HG1 ARG 14 17.852 -20.727 23.054 102 HD2 ARG 14 HD2 ARG 14 17.770 -22.546 21.401 103 HD3 ARG 14 HD1 ARG 14 16.102 -22.131 21.017 104 HE ARG 14 HE ARG 14 17.667 -19.826 20.664 105 HH11 ARG 14 HH11 ARG 14 18.332 -19.242 18.572 106 HH12 ARG 14 HH12 ARG 14 18.374 -20.436 17.318 107 HH21 ARG 14 HH21 ARG 14 17.265 -23.008 19.363 108 HH22 ARG 14 HH22 ARG 14 17.770 -22.568 17.767 109 H LEU 15 HN LEU 15 13.755 -21.439 25.418 110 HA LEU 15 HA LEU 15 13.246 -18.859 24.388 111 HB2 LEU 15 HB2 LEU 15 11.592 -20.677 26.157 112 HB3 LEU 15 HB1 LEU 15 11.028 -19.090 25.637 113 HG LEU 15 HG LEU 15 11.337 -19.745 23.279 114 HD11 LEU 15 HD11 LEU 15 12.367 -22.273 24.563 115 HD12 LEU 15 HD12 LEU 15 13.087 -21.319 23.268 116 HD13 LEU 15 HD13 LEU 15 11.669 -22.312 22.945 117 HD21 LEU 15 HD21 LEU 15 9.743 -21.838 24.791 118 HD22 LEU 15 HD22 LEU 15 9.447 -21.253 23.154 119 HD23 LEU 15 HD23 LEU 15 9.187 -20.184 24.533 120 H LYS 16 HN LYS 16 13.929 -19.991 27.676 121 HA LYS 16 HA LYS 16 13.264 -17.591 29.004 122 HB2 LYS 16 HB2 LYS 16 15.203 -19.798 29.755 123 HB3 LYS 16 HB1 LYS 16 14.829 -18.430 30.802 124 HG2 LYS 16 HG2 LYS 16 12.440 -19.023 30.742 125 HG3 LYS 16 HG1 LYS 16 12.803 -20.387 29.684 126 HD2 LYS 16 HD2 LYS 16 14.237 -21.368 31.433 127 HD3 LYS 16 HD1 LYS 16 13.882 -20.004 32.493 128 HE2 LYS 16 HE2 LYS 16 11.487 -20.583 32.444 129 HE3 LYS 16 HE1 LYS 16 11.833 -21.944 31.379 130 HZ1 LYS 16 HZ1 LYS 16 11.684 -22.259 33.955 131 HZ2 LYS 16 HZ2 LYS 16 13.300 -21.735 33.908 132 HZ3 LYS 16 HZ3 LYS 16 12.827 -23.118 33.042 133 H ASN 17 HN ASN 17 16.224 -18.647 27.371 134 HA ASN 17 HA ASN 17 17.878 -16.539 28.269 135 HB2 ASN 17 HB2 ASN 17 18.012 -18.264 25.783 136 HB3 ASN 17 HB1 ASN 17 19.224 -17.049 26.179 137 HD21 ASN 17 HD21 ASN 17 19.793 -19.894 26.074 138 HD22 ASN 17 HD22 ASN 17 20.216 -20.381 27.645 139 H GLU 18 HN GLU 18 15.580 -16.786 25.598 140 HA GLU 18 HA GLU 18 16.340 -14.352 24.339 141 HB2 GLU 18 HB2 GLU 18 15.020 -16.134 23.195 142 HB3 GLU 18 HB1 GLU 18 13.643 -15.745 24.228 143 HG2 GLU 18 HG2 GLU 18 13.572 -13.474 23.343 144 HG3 GLU 18 HG1 GLU 18 15.019 -13.773 22.382 145 H ARG 19 HN ARG 19 15.022 -12.279 24.356 146 HA ARG 19 HA ARG 19 13.225 -11.926 26.630 147 HB2 ARG 19 HB2 ARG 19 14.511 -10.010 27.502 148 HB3 ARG 19 HB1 ARG 19 15.434 -11.508 27.609 149 HG2 ARG 19 HG2 ARG 19 16.646 -10.933 25.550 150 HG3 ARG 19 HG1 ARG 19 15.707 -9.448 25.397 151 HD2 ARG 19 HD2 ARG 19 17.449 -10.112 27.780 152 HD3 ARG 19 HD1 ARG 19 17.960 -9.097 26.437 153 HE ARG 19 HE ARG 19 15.551 -8.046 27.381 154 HH11 ARG 19 HH11 ARG 19 15.561 -6.303 28.838 155 HH12 ARG 19 HH12 ARG 19 16.966 -5.996 29.803 156 HH21 ARG 19 HH21 ARG 19 18.770 -8.655 28.497 157 HH22 ARG 19 HH22 ARG 19 18.784 -7.327 29.609 158 H HIS 20 HN HIS 20 12.411 -9.606 26.663 159 HA HIS 20 HA HIS 20 11.420 -7.791 25.607 160 HB2 HIS 20 HB2 HIS 20 13.795 -7.713 24.501 161 HB3 HIS 20 HB1 HIS 20 12.976 -8.380 23.091 162 HD2 HIS 20 HD2 HIS 20 13.456 -4.975 24.818 163 HE1 HIS 20 HE1 HIS 20 10.417 -4.448 21.940 164 HE2 HIS 20 HE2 HIS 20 11.980 -3.244 23.538 165 H GLU 21 HN GLU 21 10.809 -10.815 25.180 166 HA GLU 21 HA GLU 21 9.467 -10.993 22.665 167 HB2 GLU 21 HB2 GLU 21 9.301 -12.710 25.152 168 HB3 GLU 21 HB1 GLU 21 8.385 -13.043 23.683 169 HG2 GLU 21 HG2 GLU 21 10.412 -13.252 22.385 170 HG3 GLU 21 HG1 GLU 21 11.396 -12.716 23.746 171 H GLU 22 HN GLU 22 8.413 -10.072 25.910 172 HA GLU 22 HA GLU 22 5.630 -10.157 25.432 173 HB2 GLU 22 HB2 GLU 22 7.256 -8.500 27.379 174 HB3 GLU 22 HB1 GLU 22 5.494 -8.495 27.334 175 HG2 GLU 22 HG2 GLU 22 5.420 -10.878 27.771 176 HG3 GLU 22 HG1 GLU 22 7.174 -10.991 27.665 177 H ALA 23 HN ALA 23 8.078 -7.845 24.602 178 HA ALA 23 HA ALA 23 6.443 -5.589 24.135 179 HB1 ALA 23 HB1 ALA 23 8.949 -5.531 24.181 180 HB2 ALA 23 HB2 ALA 23 8.246 -4.716 22.785 181 HB3 ALA 23 HB3 ALA 23 8.950 -6.321 22.602 182 H GLU 24 HN GLU 24 6.843 -8.538 22.375 183 HA GLU 24 HA GLU 24 6.061 -7.644 19.808 184 HB2 GLU 24 HB2 GLU 24 5.847 -10.373 21.107 185 HB3 GLU 24 HB1 GLU 24 5.358 -10.057 19.444 186 HG2 GLU 24 HG2 GLU 24 7.586 -9.350 18.847 187 HG3 GLU 24 HG1 GLU 24 8.114 -9.410 20.528 188 H LEU 25 HN LEU 25 4.184 -8.620 22.646 189 HA LEU 25 HA LEU 25 1.665 -8.695 21.342 190 HB2 LEU 25 HB2 LEU 25 2.382 -8.249 24.254 191 HB3 LEU 25 HB1 LEU 25 0.726 -8.349 23.672 192 HG LEU 25 HG LEU 25 2.805 -10.511 23.210 193 HD11 LEU 25 HD11 LEU 25 1.604 -11.740 25.007 194 HD12 LEU 25 HD12 LEU 25 0.642 -10.296 25.323 195 HD13 LEU 25 HD13 LEU 25 2.382 -10.275 25.604 196 HD21 LEU 25 HD21 LEU 25 1.157 -10.923 21.611 197 HD22 LEU 25 HD22 LEU 25 -0.125 -10.196 22.578 198 HD23 LEU 25 HD23 LEU 25 0.479 -11.800 22.978 199 H GLU 26 HN GLU 26 3.552 -6.096 22.779 200 HA GLU 26 HA GLU 26 1.476 -4.138 22.677 201 HB2 GLU 26 HB2 GLU 26 4.481 -3.865 22.885 202 HB3 GLU 26 HB1 GLU 26 3.422 -2.466 22.743 203 HG2 GLU 26 HG2 GLU 26 2.271 -3.026 24.781 204 HG3 GLU 26 HG1 GLU 26 3.073 -4.587 24.891 205 H ARG 27 HN ARG 27 3.880 -5.259 20.371 206 HA ARG 27 HA ARG 27 3.526 -3.175 18.472 207 HB2 ARG 27 HB2 ARG 27 4.525 -6.016 18.157 208 HB3 ARG 27 HB1 ARG 27 4.476 -4.852 16.835 209 HG2 ARG 27 HG2 ARG 27 5.959 -3.345 18.020 210 HG3 ARG 27 HG1 ARG 27 5.914 -4.360 19.460 211 HD2 ARG 27 HD2 ARG 27 7.971 -4.793 18.216 212 HD3 ARG 27 HD1 ARG 27 6.933 -6.214 18.160 213 HE ARG 27 HE ARG 27 6.454 -4.523 15.912 214 HH11 ARG 27 HH11 ARG 27 7.249 -5.225 13.902 215 HH12 ARG 27 HH12 ARG 27 8.481 -6.440 13.840 216 HH21 ARG 27 HH21 ARG 27 8.686 -6.785 17.285 217 HH22 ARG 27 HH22 ARG 27 9.295 -7.322 15.754 218 H LEU 28 HN LEU 28 1.707 -6.042 19.237 219 HA LEU 28 HA LEU 28 0.298 -6.317 16.812 220 HB2 LEU 28 HB2 LEU 28 0.245 -8.087 18.503 221 HB3 LEU 28 HB1 LEU 28 -0.617 -7.037 19.621 222 HG LEU 28 HG LEU 28 -2.507 -6.899 18.023 223 HD11 LEU 28 HD11 LEU 28 -2.380 -8.760 16.164 224 HD12 LEU 28 HD12 LEU 28 -0.637 -8.572 16.353 225 HD13 LEU 28 HD13 LEU 28 -1.627 -7.195 15.871 226 HD21 LEU 28 HD21 LEU 28 -2.375 -8.681 19.781 227 HD22 LEU 28 HD22 LEU 28 -1.672 -9.761 18.578 228 HD23 LEU 28 HD23 LEU 28 -3.318 -9.164 18.372 229 H LYS 29 HN LYS 29 -0.298 -4.267 19.648 230 HA LYS 29 HA LYS 29 -2.849 -3.348 18.834 231 HB2 LYS 29 HB2 LYS 29 -0.780 -2.097 20.661 232 HB3 LYS 29 HB1 LYS 29 -2.359 -1.379 20.352 233 HG2 LYS 29 HG2 LYS 29 -3.462 -3.431 21.155 234 HG3 LYS 29 HG1 LYS 29 -1.888 -4.163 21.465 235 HD2 LYS 29 HD2 LYS 29 -1.361 -2.368 23.072 236 HD3 LYS 29 HD1 LYS 29 -2.934 -1.632 22.764 237 HE2 LYS 29 HE2 LYS 29 -4.057 -3.674 23.569 238 HE3 LYS 29 HE1 LYS 29 -2.487 -4.419 23.872 239 HZ1 LYS 29 HZ1 LYS 29 -2.480 -3.455 25.848 240 HZ2 LYS 29 HZ2 LYS 29 -3.947 -2.664 25.518 241 HZ3 LYS 29 HZ3 LYS 29 -2.471 -1.930 25.107 242 H SER 30 HN SER 30 0.430 -2.269 18.073 243 HA SER 30 HA SER 30 -0.266 0.163 16.829 244 HB2 SER 30 HB2 SER 30 2.111 -1.658 16.360 245 HB3 SER 30 HB1 SER 30 1.936 -0.054 15.657 246 HG SER 30 HG SER 30 1.408 -0.020 18.304 247 H GLU 31 HN GLU 31 -0.178 -3.160 15.627 248 HA GLU 31 HA GLU 31 -0.441 -2.568 12.884 249 HB2 GLU 31 HB2 GLU 31 0.148 -4.820 13.694 250 HB3 GLU 31 HB1 GLU 31 -1.479 -5.016 14.342 251 HG2 GLU 31 HG2 GLU 31 -2.429 -4.766 12.096 252 HG3 GLU 31 HG1 GLU 31 -0.819 -4.496 11.431 253 H ALA 32 HN ALA 32 -2.831 -2.852 15.475 254 HA ALA 32 HA ALA 32 -5.154 -2.879 13.875 255 HB1 ALA 32 HB1 ALA 32 -4.816 -1.750 16.670 256 HB2 ALA 32 HB2 ALA 32 -5.215 -3.423 16.273 257 HB3 ALA 32 HB3 ALA 32 -6.349 -2.131 15.887 258 H ALA 33 HN ALA 33 -2.944 -0.341 14.623 259 HA ALA 33 HA ALA 33 -4.641 1.893 14.365 260 HB1 ALA 33 HB1 ALA 33 -1.699 1.679 13.635 261 HB2 ALA 33 HB2 ALA 33 -2.358 2.155 15.200 262 HB3 ALA 33 HB3 ALA 33 -2.608 3.181 13.789 263 H ASP 34 HN ASP 34 -3.133 -0.167 11.944 264 HA ASP 34 HA ASP 34 -3.573 1.496 9.694 265 HB2 ASP 34 HB2 ASP 34 -2.113 -0.566 9.725 266 HB3 ASP 34 HB1 ASP 34 -3.589 -1.534 9.691 267 H HIS 35 HN HIS 35 -5.692 -0.448 11.605 268 HA HIS 35 HA HIS 35 -7.785 -0.587 9.588 269 HB2 HIS 35 HB2 HIS 35 -7.756 -1.371 12.513 270 HB3 HIS 35 HB1 HIS 35 -9.106 -1.638 11.415 271 HD2 HIS 35 HD2 HIS 35 -6.392 -2.387 9.097 272 HE1 HIS 35 HE1 HIS 35 -6.681 -5.960 11.324 273 HE2 HIS 35 HE2 HIS 35 -5.740 -4.910 9.213 274 H ASP 36 HN ASP 36 -6.685 1.904 11.436 275 HA ASP 36 HA ASP 36 -9.223 2.929 12.385 276 HB2 ASP 36 HB2 ASP 36 -7.989 4.873 13.081 277 HB3 ASP 36 HB1 ASP 36 -7.032 3.451 13.485 278 H LYS 37 HN LYS 37 -7.970 2.581 9.370 279 HA LYS 37 HA LYS 37 -8.359 5.091 8.140 280 HB2 LYS 37 HB2 LYS 37 -8.406 3.876 6.046 281 HB3 LYS 37 HB1 LYS 37 -7.170 3.173 7.088 282 HG2 LYS 37 HG2 LYS 37 -8.924 1.487 7.836 283 HG3 LYS 37 HG1 LYS 37 -9.949 2.099 6.541 284 HD2 LYS 37 HD2 LYS 37 -7.140 1.088 6.042 285 HD3 LYS 37 HD1 LYS 37 -8.550 0.033 5.983 286 HE2 LYS 37 HE2 LYS 37 -9.559 1.573 4.275 287 HE3 LYS 37 HE1 LYS 37 -8.045 2.475 4.258 288 HZ1 LYS 37 HZ1 LYS 37 -8.618 -0.207 3.252 289 HZ2 LYS 37 HZ2 LYS 37 -7.071 0.083 3.892 290 HZ3 LYS 37 HZ3 LYS 37 -7.643 1.013 2.591 291 H LYS 38 HN LYS 38 -10.603 2.594 9.091 292 HA LYS 38 HA LYS 38 -12.791 3.341 7.477 293 HB2 LYS 38 HB2 LYS 38 -12.702 1.968 10.179 294 HB3 LYS 38 HB1 LYS 38 -14.185 2.217 9.260 295 HG2 LYS 38 HG2 LYS 38 -13.224 0.985 7.357 296 HG3 LYS 38 HG1 LYS 38 -11.732 0.741 8.264 297 HD2 LYS 38 HD2 LYS 38 -12.978 -0.502 9.992 298 HD3 LYS 38 HD1 LYS 38 -14.474 -0.257 9.090 299 HE2 LYS 38 HE2 LYS 38 -13.530 -1.490 7.176 300 HE3 LYS 38 HE1 LYS 38 -12.028 -1.731 8.068 301 HZ1 LYS 38 HZ1 LYS 38 -14.428 -3.213 8.206 302 HZ2 LYS 38 HZ2 LYS 38 -14.079 -2.556 9.734 303 HZ3 LYS 38 HZ3 LYS 38 -12.935 -3.534 8.944 304 H GLU 39 HN GLU 39 -11.615 4.580 10.572 305 HA GLU 39 HA GLU 39 -13.876 6.136 11.226 306 HB2 GLU 39 HB2 GLU 39 -10.957 6.464 11.972 307 HB3 GLU 39 HB1 GLU 39 -12.242 7.488 12.604 308 HG2 GLU 39 HG2 GLU 39 -13.374 5.583 13.574 309 HG3 GLU 39 HG1 GLU 39 -12.243 4.468 12.808 310 H ALA 40 HN ALA 40 -11.107 6.768 9.124 311 HA ALA 40 HA ALA 40 -11.506 9.542 8.793 312 HB1 ALA 40 HB1 ALA 40 -10.209 9.311 6.707 313 HB2 ALA 40 HB2 ALA 40 -10.338 7.557 6.816 314 HB3 ALA 40 HB3 ALA 40 -9.440 8.456 8.041 315 H GLU 41 HN GLU 41 -13.185 6.789 7.492 316 HA GLU 41 HA GLU 41 -14.348 8.021 5.232 317 HB2 GLU 41 HB2 GLU 41 -14.405 5.579 5.542 318 HB3 GLU 41 HB1 GLU 41 -15.474 5.763 6.930 319 HG2 GLU 41 HG2 GLU 41 -16.780 5.208 4.946 320 HG3 GLU 41 HG1 GLU 41 -17.158 6.850 5.454 321 H ARG 42 HN ARG 42 -15.296 7.964 8.646 322 HA ARG 42 HA ARG 42 -17.850 9.114 8.320 323 HB2 ARG 42 HB2 ARG 42 -17.155 8.067 10.439 324 HB3 ARG 42 HB1 ARG 42 -15.995 9.366 10.714 325 HG2 ARG 42 HG2 ARG 42 -17.819 11.014 10.744 326 HG3 ARG 42 HG1 ARG 42 -18.990 9.735 10.414 327 HD2 ARG 42 HD2 ARG 42 -18.378 8.620 12.520 328 HD3 ARG 42 HD1 ARG 42 -17.186 9.876 12.847 329 HE ARG 42 HE ARG 42 -19.687 11.108 12.446 330 HH11 ARG 42 HH11 ARG 42 -20.891 11.767 14.255 331 HH12 ARG 42 HH12 ARG 42 -20.572 11.064 15.805 332 HH21 ARG 42 HH21 ARG 42 -18.044 8.995 14.639 333 HH22 ARG 42 HH22 ARG 42 -18.959 9.494 16.022 334 H LYS 43 HN LYS 43 -14.631 10.564 8.592 335 HA LYS 43 HA LYS 43 -15.499 13.254 8.866 336 HB2 LYS 43 HB2 LYS 43 -12.900 12.082 7.844 337 HB3 LYS 43 HB1 LYS 43 -13.183 13.808 8.077 338 HG2 LYS 43 HG2 LYS 43 -13.558 13.519 10.433 339 HG3 LYS 43 HG1 LYS 43 -13.594 11.763 10.272 340 HD2 LYS 43 HD2 LYS 43 -11.432 12.337 11.151 341 HD3 LYS 43 HD1 LYS 43 -11.195 11.888 9.464 342 HE2 LYS 43 HE2 LYS 43 -11.056 14.211 8.798 343 HE3 LYS 43 HE1 LYS 43 -11.525 14.751 10.411 344 HZ1 LYS 43 HZ1 LYS 43 -9.475 13.446 11.162 345 HZ2 LYS 43 HZ2 LYS 43 -9.230 14.943 10.399 346 HZ3 LYS 43 HZ3 LYS 43 -9.000 13.499 9.536 347 H ALA 44 HN ALA 44 -15.288 11.121 6.150 348 HA ALA 44 HA ALA 44 -15.009 13.002 4.066 349 HB1 ALA 44 HB1 ALA 44 -14.799 10.557 3.709 350 HB2 ALA 44 HB2 ALA 44 -15.943 11.296 2.591 351 HB3 ALA 44 HB3 ALA 44 -16.536 10.382 3.976 352 H LEU 45 HN LEU 45 -17.684 12.253 6.123 353 HA LEU 45 HA LEU 45 -19.800 13.123 4.469 354 HB2 LEU 45 HB2 LEU 45 -19.550 13.067 7.490 355 HB3 LEU 45 HB1 LEU 45 -21.031 13.492 6.640 356 HG LEU 45 HG LEU 45 -19.536 10.888 6.226 357 HD11 LEU 45 HD11 LEU 45 -21.288 9.869 7.628 358 HD12 LEU 45 HD12 LEU 45 -21.985 11.463 7.921 359 HD13 LEU 45 HD13 LEU 45 -20.378 11.075 8.537 360 HD21 LEU 45 HD21 LEU 45 -20.880 11.095 4.332 361 HD22 LEU 45 HD22 LEU 45 -22.095 12.068 5.161 362 HD23 LEU 45 HD23 LEU 45 -22.022 10.328 5.429 363 H GLU 46 HN GLU 46 -17.574 14.879 6.582 364 HA GLU 46 HA GLU 46 -18.938 17.355 6.527 365 HB2 GLU 46 HB2 GLU 46 -17.135 16.897 8.148 366 HB3 GLU 46 HB1 GLU 46 -15.952 16.885 6.843 367 HG2 GLU 46 HG2 GLU 46 -16.496 19.216 6.299 368 HG3 GLU 46 HG1 GLU 46 -17.733 19.232 7.555 369 H ASP 47 HN ASP 47 -16.593 15.895 4.309 370 HA ASP 47 HA ASP 47 -16.129 18.191 2.734 371 HB2 ASP 47 HB2 ASP 47 -14.717 16.160 2.588 372 HB3 ASP 47 HB1 ASP 47 -16.046 15.295 1.822 373 H LYS 48 HN LYS 48 -18.692 15.754 2.646 374 HA LYS 48 HA LYS 48 -20.675 15.657 1.448 375 HB2 LYS 48 HB2 LYS 48 -20.231 18.656 1.394 376 HB3 LYS 48 HB1 LYS 48 -21.738 17.842 0.976 377 HG2 LYS 48 HG2 LYS 48 -21.843 16.865 3.240 378 HG3 LYS 48 HG1 LYS 48 -20.339 17.684 3.662 379 HD2 LYS 48 HD2 LYS 48 -21.404 19.870 3.234 380 HD3 LYS 48 HD1 LYS 48 -22.911 19.053 2.820 381 HE2 LYS 48 HE2 LYS 48 -23.018 18.086 5.085 382 HE3 LYS 48 HE1 LYS 48 -21.507 18.895 5.503 383 HZ1 LYS 48 HZ1 LYS 48 -24.078 20.181 4.770 384 HZ2 LYS 48 HZ2 LYS 48 -22.614 21.023 4.962 385 HZ3 LYS 48 HZ3 LYS 48 -23.313 20.216 6.283 386 H LEU 49 HN LEU 49 -18.251 15.234 -0.037 387 HA LEU 49 HA LEU 49 -18.209 16.692 -2.454 388 HB2 LEU 49 HB2 LEU 49 -16.289 15.337 -1.772 389 HB3 LEU 49 HB1 LEU 49 -17.233 13.860 -1.932 390 HG LEU 49 HG LEU 49 -17.536 14.322 -4.349 391 HD11 LEU 49 HD11 LEU 49 -15.857 16.150 -5.232 392 HD12 LEU 49 HD12 LEU 49 -16.015 16.818 -3.608 393 HD13 LEU 49 HD13 LEU 49 -17.439 16.647 -4.636 394 HD21 LEU 49 HD21 LEU 49 -14.642 14.442 -3.444 395 HD22 LEU 49 HD22 LEU 49 -15.216 13.858 -5.005 396 HD23 LEU 49 HD23 LEU 49 -15.615 12.975 -3.532 397 H ALA 50 HN ALA 50 -19.987 13.781 -1.487 398 HA ALA 50 HA ALA 50 -20.970 13.106 -4.039 399 HB1 ALA 50 HB1 ALA 50 -21.215 11.458 -2.340 400 HB2 ALA 50 HB2 ALA 50 -22.848 11.972 -2.756 401 HB3 ALA 50 HB3 ALA 50 -22.093 12.561 -1.279 402 H ASP 51 HN ASP 51 -22.150 15.413 -1.620 403 HA ASP 51 HA ASP 51 -24.655 15.920 -2.810 404 HB2 ASP 51 HB2 ASP 51 -22.902 17.653 -1.051 405 HB3 ASP 51 HB1 ASP 51 -24.497 18.147 -1.606 406 H TYR 52 HN TYR 52 -21.433 17.249 -3.459 407 HA TYR 52 HA TYR 52 -22.204 18.044 -6.091 408 HB2 TYR 52 HB2 TYR 52 -23.247 19.910 -4.928 409 HB3 TYR 52 HB1 TYR 52 -21.756 20.228 -4.040 410 HD1 TYR 52 HD1 TYR 52 -23.216 20.092 -7.471 411 HD2 TYR 52 HD2 TYR 52 -20.031 21.557 -4.988 412 HE1 TYR 52 HE1 TYR 52 -22.410 21.510 -9.340 413 HE2 TYR 52 HE2 TYR 52 -19.227 22.976 -6.857 414 HH TYR 52 HH TYR 52 -20.761 22.836 -10.061
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