NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20474 | 2fs1 | 6945 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 4.790 16.416 3.015 2 2H MET 1 2HT MET 1 6.410 16.870 2.658 3 3H MET 1 3HT MET 1 5.108 17.589 1.801 4 HA MET 1 HA MET 1 5.375 17.821 4.709 5 1HB MET 1 2HB MET 1 6.490 19.985 4.277 6 2HB MET 1 1HB MET 1 7.456 18.615 3.754 7 1HG MET 1 2HG MET 1 6.423 19.043 1.440 8 2HG MET 1 1HG MET 1 5.980 20.619 2.095 9 1HE MET 1 1HE MET 1 7.557 22.186 0.442 10 2HE MET 1 2HE MET 1 8.904 22.688 1.461 11 3HE MET 1 3HE MET 1 7.294 22.523 2.154 12 H GLU 2 H GLU 2 3.080 17.448 2.943 13 HA GLU 2 HA GLU 2 1.882 20.085 2.709 14 1HB GLU 2 2HB GLU 2 0.659 17.381 2.139 15 2HB GLU 2 1HB GLU 2 0.014 18.946 1.660 16 1HG GLU 2 2HG GLU 2 2.525 18.989 0.577 17 2HG GLU 2 1HG GLU 2 2.068 17.298 0.412 18 H ALA 3 H ALA 3 1.488 17.133 4.614 19 HA ALA 3 HA ALA 3 0.514 18.493 6.867 20 1HB ALA 3 1HB ALA 3 -1.507 18.814 5.579 21 2HB ALA 3 2HB ALA 3 -1.809 17.661 6.880 22 3HB ALA 3 3HB ALA 3 -1.594 17.082 5.231 23 H VAL 4 H VAL 4 -0.501 15.408 5.421 24 HA VAL 4 HA VAL 4 1.321 13.881 7.033 25 HB VAL 4 HB VAL 4 -0.568 12.561 8.115 26 1HG1 VAL 4 1HG1 VAL 4 -0.505 13.867 10.069 27 2HG1 VAL 4 2HG1 VAL 4 -0.326 15.368 9.154 28 3HG1 VAL 4 3HG1 VAL 4 1.012 14.219 9.222 29 1HG2 VAL 4 1HG2 VAL 4 -2.236 14.992 8.126 30 2HG2 VAL 4 2HG2 VAL 4 -2.700 13.284 8.094 31 3HG2 VAL 4 3HG2 VAL 4 -2.199 14.091 6.607 32 H ASP 5 H ASP 5 0.582 14.207 4.228 33 HA ASP 5 HA ASP 5 -0.904 11.918 3.403 34 1HB ASP 5 2HB ASP 5 -0.134 12.510 1.132 35 2HB ASP 5 1HB ASP 5 -0.802 13.897 1.990 36 H ALA 6 H ALA 6 2.539 12.691 3.617 37 HA ALA 6 HA ALA 6 3.454 10.266 2.465 38 1HB ALA 6 1HB ALA 6 5.114 11.820 2.377 39 2HB ALA 6 2HB ALA 6 5.588 11.005 3.868 40 3HB ALA 6 3HB ALA 6 4.694 12.528 3.937 41 H ASN 7 H ASN 7 2.665 11.254 5.743 42 HA ASN 7 HA ASN 7 3.841 9.029 7.054 43 1HB ASN 7 2HB ASN 7 2.088 11.270 7.782 44 2HB ASN 7 1HB ASN 7 1.808 9.812 8.724 45 1HD2 ASN 7 1HD2 ASN 7 3.476 12.605 8.656 46 2HD2 ASN 7 2HD2 ASN 7 4.819 12.174 9.651 47 H SER 8 H SER 8 0.517 9.725 6.003 48 HA SER 8 HA SER 8 -0.553 7.251 6.879 49 1HB SER 8 2HB SER 8 -2.030 9.137 6.538 50 2HB SER 8 1HB SER 8 -1.563 9.248 4.841 51 HG SER 8 HG SER 8 -2.747 6.924 5.935 52 H LEU 9 H LEU 9 0.990 8.341 3.946 53 HA LEU 9 HA LEU 9 0.219 6.221 2.256 54 1HB LEU 9 2HB LEU 9 1.273 8.426 1.598 55 2HB LEU 9 1HB LEU 9 2.805 7.757 2.119 56 HG LEU 9 HG LEU 9 1.090 6.638 -0.098 57 1HD1 LEU 9 1HD1 LEU 9 2.488 8.916 -0.242 58 2HD1 LEU 9 2HD1 LEU 9 2.289 7.807 -1.601 59 3HD1 LEU 9 3HD1 LEU 9 3.755 7.749 -0.627 60 1HD2 LEU 9 1HD2 LEU 9 2.256 4.786 0.523 61 2HD2 LEU 9 2HD2 LEU 9 3.576 5.718 1.230 62 3HD2 LEU 9 3HD2 LEU 9 3.462 5.538 -0.520 63 H ALA 10 H ALA 10 3.059 6.714 4.317 64 HA ALA 10 HA ALA 10 4.413 4.353 3.610 65 1HB ALA 10 1HB ALA 10 5.076 6.528 5.031 66 2HB ALA 10 2HB ALA 10 5.990 5.021 5.074 67 3HB ALA 10 3HB ALA 10 4.818 5.379 6.342 68 H GLN 11 H GLN 11 1.708 4.861 5.684 69 HA GLN 11 HA GLN 11 2.100 2.460 7.225 70 1HB GLN 11 2HB GLN 11 1.013 4.246 8.355 71 2HB GLN 11 1HB GLN 11 -0.141 4.463 7.044 72 1HG GLN 11 2HG GLN 11 -1.038 2.229 7.535 73 2HG GLN 11 1HG GLN 11 0.031 2.129 8.929 74 1HE2 GLN 11 1HE2 GLN 11 -2.850 3.496 7.618 75 2HE2 GLN 11 2HE2 GLN 11 -3.409 4.253 9.063 76 H ALA 12 H ALA 12 -0.058 3.512 4.604 77 HA ALA 12 HA ALA 12 -1.670 1.284 4.391 78 1HB ALA 12 1HB ALA 12 -1.422 3.523 2.956 79 2HB ALA 12 2HB ALA 12 -2.299 2.108 2.370 80 3HB ALA 12 3HB ALA 12 -0.634 2.392 1.853 81 H LYS 13 H LYS 13 1.615 1.777 3.331 82 HA LYS 13 HA LYS 13 1.799 -0.846 2.097 83 1HB LYS 13 2HB LYS 13 4.342 0.029 2.064 84 2HB LYS 13 1HB LYS 13 3.154 0.470 0.852 85 1HG LYS 13 2HG LYS 13 2.857 2.587 1.703 86 2HG LYS 13 1HG LYS 13 3.511 2.148 3.287 87 1HD LYS 13 2HD LYS 13 5.109 2.296 0.726 88 2HD LYS 13 1HD LYS 13 5.054 3.563 1.951 89 1HE LYS 13 2HE LYS 13 5.670 1.022 3.154 90 2HE LYS 13 1HE LYS 13 6.790 1.367 1.836 91 1HZ LYS 13 1HZ LYS 13 6.203 3.150 4.140 92 2HZ LYS 13 2HZ LYS 13 7.243 3.523 2.859 93 3HZ LYS 13 3HZ LYS 13 7.619 2.251 3.909 94 H GLU 14 H GLU 14 3.478 0.908 4.714 95 HA GLU 14 HA GLU 14 4.982 -1.138 5.770 96 1HB GLU 14 2HB GLU 14 3.627 1.246 6.995 97 2HB GLU 14 1HB GLU 14 4.418 0.072 8.040 98 1HG GLU 14 2HG GLU 14 5.987 1.059 5.743 99 2HG GLU 14 1HG GLU 14 5.654 2.213 7.034 100 H ALA 15 H ALA 15 1.588 -0.427 6.141 101 HA ALA 15 HA ALA 15 1.148 -2.596 8.019 102 1HB ALA 15 1HB ALA 15 -1.104 -1.220 6.644 103 2HB ALA 15 2HB ALA 15 -0.123 -0.302 7.785 104 3HB ALA 15 3HB ALA 15 -0.962 -1.759 8.317 105 H ALA 16 H ALA 16 0.727 -1.970 4.587 106 HA ALA 16 HA ALA 16 -0.846 -4.273 4.032 107 1HB ALA 16 1HB ALA 16 0.754 -2.405 2.316 108 2HB ALA 16 2HB ALA 16 -0.995 -2.597 2.417 109 3HB ALA 16 3HB ALA 16 -0.015 -3.841 1.642 110 H ILE 17 H ILE 17 2.565 -3.724 4.416 111 HA ILE 17 HA ILE 17 3.355 -6.158 3.100 112 HB ILE 17 HB ILE 17 5.595 -5.719 4.071 113 1HG1 ILE 17 2HG1 ILE 17 4.262 -3.260 5.224 114 2HG1 ILE 17 1HG1 ILE 17 4.876 -4.625 6.151 115 1HG2 ILE 17 1HG2 ILE 17 6.083 -3.778 2.724 116 2HG2 ILE 17 2HG2 ILE 17 4.382 -3.312 2.725 117 3HG2 ILE 17 3HG2 ILE 17 4.893 -4.784 1.900 118 1HD1 ILE 17 1HD1 ILE 17 6.334 -2.576 6.072 119 2HD1 ILE 17 2HD1 ILE 17 6.619 -2.950 4.372 120 3HD1 ILE 17 3HD1 ILE 17 7.110 -4.094 5.622 121 H LYS 18 H LYS 18 2.592 -5.128 6.351 122 HA LYS 18 HA LYS 18 3.649 -7.278 7.797 123 1HB LYS 18 2HB LYS 18 1.838 -5.093 8.270 124 2HB LYS 18 1HB LYS 18 1.197 -6.555 9.009 125 1HG LYS 18 2HG LYS 18 3.934 -6.485 9.644 126 2HG LYS 18 1HG LYS 18 3.317 -4.850 9.897 127 1HD LYS 18 2HD LYS 18 1.342 -6.383 11.004 128 2HD LYS 18 1HD LYS 18 2.789 -7.317 11.387 129 1HE LYS 18 2HE LYS 18 2.965 -5.944 13.149 130 2HE LYS 18 1HE LYS 18 3.594 -4.783 11.981 131 1HZ LYS 18 1HZ LYS 18 0.979 -4.379 11.721 132 2HZ LYS 18 2HZ LYS 18 1.952 -3.518 12.799 133 3HZ LYS 18 3HZ LYS 18 1.037 -4.833 13.349 134 H GLU 19 H GLU 19 0.670 -6.939 5.971 135 HA GLU 19 HA GLU 19 -0.471 -9.411 6.830 136 1HB GLU 19 2HB GLU 19 -1.177 -7.251 5.025 137 2HB GLU 19 1HB GLU 19 -1.532 -8.817 4.304 138 1HG GLU 19 2HG GLU 19 -3.490 -8.160 5.416 139 2HG GLU 19 1HG GLU 19 -2.745 -9.385 6.442 140 H LEU 20 H LEU 20 1.538 -8.387 4.130 141 HA LEU 20 HA LEU 20 1.439 -10.780 2.661 142 1HB LEU 20 2HB LEU 20 2.767 -8.303 2.474 143 2HB LEU 20 1HB LEU 20 4.020 -9.529 2.468 144 HG LEU 20 HG LEU 20 2.107 -10.498 0.706 145 1HD1 LEU 20 1HD1 LEU 20 2.091 -7.566 0.743 146 2HD1 LEU 20 2HD1 LEU 20 0.887 -8.704 0.139 147 3HD1 LEU 20 3HD1 LEU 20 2.291 -8.299 -0.847 148 1HD2 LEU 20 1HD2 LEU 20 4.716 -10.346 0.704 149 2HD2 LEU 20 2HD2 LEU 20 4.418 -8.922 -0.294 150 3HD2 LEU 20 3HD2 LEU 20 3.820 -10.500 -0.807 151 H LYS 21 H LYS 21 3.289 -9.765 5.439 152 HA LYS 21 HA LYS 21 5.056 -12.047 5.376 153 1HB LYS 21 2HB LYS 21 5.694 -9.794 6.309 154 2HB LYS 21 1HB LYS 21 4.596 -10.105 7.646 155 1HG LYS 21 2HG LYS 21 6.163 -12.366 7.587 156 2HG LYS 21 1HG LYS 21 7.295 -11.075 7.180 157 1HD LYS 21 2HD LYS 21 7.449 -10.807 9.407 158 2HD LYS 21 1HD LYS 21 5.916 -9.950 9.238 159 1HE LYS 21 2HE LYS 21 5.020 -11.428 10.635 160 2HE LYS 21 1HE LYS 21 5.236 -12.655 9.387 161 1HZ LYS 21 1HZ LYS 21 6.367 -13.584 11.122 162 2HZ LYS 21 2HZ LYS 21 6.879 -12.101 11.753 163 3HZ LYS 21 3HZ LYS 21 7.632 -12.741 10.379 164 H GLN 22 H GLN 22 2.150 -11.020 7.076 165 HA GLN 22 HA GLN 22 2.098 -13.258 8.864 166 1HB GLN 22 2HB GLN 22 0.857 -10.864 8.877 167 2HB GLN 22 1HB GLN 22 -0.431 -11.855 8.207 168 1HG GLN 22 2HG GLN 22 -0.885 -11.975 10.445 169 2HG GLN 22 1HG GLN 22 0.101 -13.419 10.217 170 1HE2 GLN 22 1HE2 GLN 22 -0.014 -10.197 11.517 171 2HE2 GLN 22 2HE2 GLN 22 1.401 -10.323 12.499 172 H TYR 23 H TYR 23 0.952 -12.597 5.652 173 HA TYR 23 HA TYR 23 -0.814 -14.877 5.535 174 1HB TYR 23 2HB TYR 23 0.051 -12.729 3.649 175 2HB TYR 23 1HB TYR 23 -0.589 -14.225 2.967 176 HD1 TYR 23 1HD TYR 23 -1.465 -11.031 3.823 177 HD2 TYR 23 2HD TYR 23 -2.817 -15.027 4.356 178 HE1 TYR 23 1HE TYR 23 -3.747 -10.204 4.178 179 HE2 TYR 23 2HE TYR 23 -5.106 -14.212 4.713 180 HH TYR 23 HH TYR 23 -6.427 -12.052 3.989 181 H GLY 24 H GLY 24 2.398 -14.002 4.352 182 1HA GLY 24 2HA GLY 24 4.096 -15.756 4.341 183 2HA GLY 24 1HA GLY 24 2.854 -16.861 3.775 184 H ILE 25 H ILE 25 2.130 -14.186 2.105 185 HA ILE 25 HA ILE 25 2.921 -15.120 -0.368 186 HB ILE 25 HB ILE 25 3.007 -12.185 -0.251 187 1HG1 ILE 25 2HG1 ILE 25 0.565 -13.667 0.745 188 2HG1 ILE 25 1HG1 ILE 25 1.472 -12.414 1.589 189 1HG2 ILE 25 1HG2 ILE 25 2.206 -12.440 -2.296 190 2HG2 ILE 25 2HG2 ILE 25 0.832 -13.381 -1.720 191 3HG2 ILE 25 3HG2 ILE 25 2.368 -14.180 -2.075 192 1HD1 ILE 25 1HD1 ILE 25 -0.494 -12.171 -0.619 193 2HD1 ILE 25 2HD1 ILE 25 0.808 -10.988 -0.525 194 3HD1 ILE 25 3HD1 ILE 25 -0.299 -11.194 0.835 195 H GLY 26 H GLY 26 4.465 -13.841 -1.923 196 1HA GLY 26 2HA GLY 26 7.104 -14.138 -0.814 197 2HA GLY 26 1HA GLY 26 6.707 -13.715 -2.476 198 H ASP 27 H ASP 27 8.735 -12.578 -0.704 199 HA ASP 27 HA ASP 27 7.958 -10.068 0.291 200 1HB ASP 27 2HB ASP 27 10.523 -11.394 -0.384 201 2HB ASP 27 1HB ASP 27 10.552 -9.634 -0.318 202 H TYR 28 H TYR 28 8.522 -11.163 -2.934 203 HA TYR 28 HA TYR 28 9.303 -8.930 -4.330 204 1HB TYR 28 2HB TYR 28 8.368 -11.343 -5.094 205 2HB TYR 28 1HB TYR 28 6.943 -10.364 -5.437 206 HD1 TYR 28 1HD TYR 28 6.776 -9.738 -7.635 207 HD2 TYR 28 2HD TYR 28 10.629 -9.918 -5.850 208 HE1 TYR 28 1HE TYR 28 7.775 -8.949 -9.733 209 HE2 TYR 28 2HE TYR 28 11.642 -9.133 -7.938 210 HH TYR 28 HH TYR 28 9.785 -7.870 -10.528 211 H TYR 29 H TYR 29 6.059 -9.794 -3.309 212 HA TYR 29 HA TYR 29 4.865 -7.405 -4.280 213 1HB TYR 29 2HB TYR 29 3.668 -9.407 -2.364 214 2HB TYR 29 1HB TYR 29 2.809 -8.300 -3.427 215 HD1 TYR 29 1HD TYR 29 2.601 -11.385 -3.348 216 HD2 TYR 29 2HD TYR 29 4.860 -8.702 -5.766 217 HE1 TYR 29 1HE TYR 29 2.687 -13.078 -5.126 218 HE2 TYR 29 2HE TYR 29 4.957 -10.399 -7.546 219 HH TYR 29 HH TYR 29 3.102 -12.696 -8.008 220 H ILE 30 H ILE 30 6.403 -8.183 -1.269 221 HA ILE 30 HA ILE 30 5.077 -6.083 0.196 222 HB ILE 30 HB ILE 30 6.329 -6.636 2.010 223 1HG1 ILE 30 2HG1 ILE 30 8.699 -7.710 1.721 224 2HG1 ILE 30 1HG1 ILE 30 8.603 -6.999 0.114 225 1HG2 ILE 30 1HG2 ILE 30 5.405 -8.692 1.713 226 2HG2 ILE 30 2HG2 ILE 30 7.114 -9.099 1.835 227 3HG2 ILE 30 3HG2 ILE 30 6.335 -9.030 0.257 228 1HD1 ILE 30 1HD1 ILE 30 9.046 -5.736 2.696 229 2HD1 ILE 30 2HD1 ILE 30 7.820 -4.934 1.712 230 3HD1 ILE 30 3HD1 ILE 30 9.447 -5.177 1.072 231 H LYS 31 H LYS 31 7.882 -6.509 -1.794 232 HA LYS 31 HA LYS 31 9.005 -3.904 -1.316 233 1HB LYS 31 2HB LYS 31 9.610 -5.903 -3.494 234 2HB LYS 31 1HB LYS 31 10.601 -4.518 -3.056 235 1HG LYS 31 2HG LYS 31 10.002 -6.818 -1.210 236 2HG LYS 31 1HG LYS 31 11.449 -6.694 -2.210 237 1HD LYS 31 2HD LYS 31 12.269 -4.871 -1.008 238 2HD LYS 31 1HD LYS 31 10.689 -4.496 -0.319 239 1HE LYS 31 2HE LYS 31 10.820 -6.670 0.924 240 2HE LYS 31 1HE LYS 31 12.486 -6.817 0.363 241 1HZ LYS 31 1HZ LYS 31 11.729 -4.326 1.688 242 2HZ LYS 31 2HZ LYS 31 13.191 -5.176 1.736 243 3HZ LYS 31 3HZ LYS 31 11.876 -5.704 2.660 244 H LEU 32 H LEU 32 7.376 -5.516 -4.045 245 HA LEU 32 HA LEU 32 7.377 -3.434 -5.831 246 1HB LEU 32 2HB LEU 32 6.144 -4.817 -7.104 247 2HB LEU 32 1HB LEU 32 6.355 -5.954 -5.796 248 HG LEU 32 HG LEU 32 4.080 -6.027 -6.327 249 1HD1 LEU 32 1HD1 LEU 32 3.532 -4.201 -4.195 250 2HD1 LEU 32 2HD1 LEU 32 5.022 -5.098 -3.880 251 3HD1 LEU 32 3HD1 LEU 32 3.512 -5.967 -4.195 252 1HD2 LEU 32 1HD2 LEU 32 3.508 -3.163 -5.928 253 2HD2 LEU 32 2HD2 LEU 32 2.807 -4.313 -7.067 254 3HD2 LEU 32 3HD2 LEU 32 4.372 -3.574 -7.408 255 H ILE 33 H ILE 33 5.706 -3.656 -2.869 256 HA ILE 33 HA ILE 33 3.641 -1.744 -3.425 257 HB ILE 33 HB ILE 33 4.668 -3.139 -0.980 258 1HG1 ILE 33 2HG1 ILE 33 2.024 -2.937 -2.413 259 2HG1 ILE 33 1HG1 ILE 33 3.069 -4.343 -2.266 260 1HG2 ILE 33 1HG2 ILE 33 3.655 -0.485 -0.896 261 2HG2 ILE 33 2HG2 ILE 33 4.084 -1.545 0.442 262 3HG2 ILE 33 3HG2 ILE 33 2.445 -1.561 -0.205 263 1HD1 ILE 33 1HD1 ILE 33 2.287 -3.401 0.333 264 2HD1 ILE 33 2HD1 ILE 33 2.046 -4.978 -0.416 265 3HD1 ILE 33 3HD1 ILE 33 0.878 -3.685 -0.688 266 H ASN 34 H ASN 34 6.576 -1.681 -1.404 267 HA ASN 34 HA ASN 34 6.558 0.993 -0.718 268 1HB ASN 34 2HB ASN 34 8.191 -1.060 -0.163 269 2HB ASN 34 1HB ASN 34 9.203 -0.210 -1.327 270 1HD2 ASN 34 1HD2 ASN 34 9.053 2.308 -0.896 271 2HD2 ASN 34 2HD2 ASN 34 9.395 2.751 0.739 272 H ASN 35 H ASN 35 7.277 -0.424 -3.791 273 HA ASN 35 HA ASN 35 8.836 1.712 -4.840 274 1HB ASN 35 2HB ASN 35 8.681 -0.693 -5.704 275 2HB ASN 35 1HB ASN 35 7.184 -0.194 -6.485 276 1HD2 ASN 35 1HD2 ASN 35 10.630 0.066 -6.460 277 2HD2 ASN 35 2HD2 ASN 35 10.789 0.886 -7.973 278 H ALA 36 H ALA 36 5.447 1.286 -4.363 279 HA ALA 36 HA ALA 36 4.457 2.922 -6.427 280 1HB ALA 36 1HB ALA 36 3.411 1.694 -4.015 281 2HB ALA 36 2HB ALA 36 2.641 1.963 -5.579 282 3HB ALA 36 3HB ALA 36 2.662 3.252 -4.374 283 H LYS 37 H LYS 37 3.644 5.050 -6.363 284 HA LYS 37 HA LYS 37 5.269 6.823 -4.706 285 1HB LYS 37 2HB LYS 37 3.856 7.088 -7.325 286 2HB LYS 37 1HB LYS 37 4.163 8.534 -6.377 287 1HG LYS 37 2HG LYS 37 6.292 8.580 -6.997 288 2HG LYS 37 1HG LYS 37 6.527 6.889 -6.564 289 1HD LYS 37 2HD LYS 37 5.365 7.922 -9.151 290 2HD LYS 37 1HD LYS 37 6.982 7.250 -8.932 291 1HE LYS 37 2HE LYS 37 4.900 5.483 -7.949 292 2HE LYS 37 1HE LYS 37 4.705 5.865 -9.660 293 1HZ LYS 37 1HZ LYS 37 6.127 4.137 -9.848 294 2HZ LYS 37 2HZ LYS 37 6.814 4.365 -8.319 295 3HZ LYS 37 3HZ LYS 37 7.289 5.345 -9.614 296 H THR 38 H THR 38 1.930 6.095 -5.525 297 HA THR 38 HA THR 38 0.939 8.105 -3.656 298 HB THR 38 HB THR 38 -1.224 7.696 -4.572 299 HG1 THR 38 1HG THR 38 -1.569 5.622 -4.817 300 1HG2 THR 38 1HG2 THR 38 -0.905 7.772 -7.035 301 2HG2 THR 38 2HG2 THR 38 0.817 7.498 -6.769 302 3HG2 THR 38 3HG2 THR 38 0.049 8.955 -6.140 303 H VAL 39 H VAL 39 -1.471 6.482 -3.005 304 HA VAL 39 HA VAL 39 -0.264 4.363 -1.399 305 HB VAL 39 HB VAL 39 -0.636 6.610 -0.122 306 1HG1 VAL 39 1HG1 VAL 39 -2.747 6.758 0.994 307 2HG1 VAL 39 2HG1 VAL 39 -3.327 5.310 0.171 308 3HG1 VAL 39 3HG1 VAL 39 -3.023 6.783 -0.749 309 1HG2 VAL 39 1HG2 VAL 39 -1.263 5.113 1.892 310 2HG2 VAL 39 2HG2 VAL 39 0.252 4.818 1.033 311 3HG2 VAL 39 3HG2 VAL 39 -1.154 3.803 0.720 312 H GLU 40 H GLU 40 -3.281 5.804 -2.567 313 HA GLU 40 HA GLU 40 -5.107 3.920 -1.799 314 1HB GLU 40 2HB GLU 40 -5.194 6.069 -3.443 315 2HB GLU 40 1HB GLU 40 -5.359 4.772 -4.617 316 1HG GLU 40 2HG GLU 40 -7.365 4.042 -3.720 317 2HG GLU 40 1HG GLU 40 -7.071 4.826 -2.169 318 H GLY 41 H GLY 41 -2.791 3.685 -4.442 319 1HA GLY 41 2HA GLY 41 -3.828 1.108 -5.283 320 2HA GLY 41 1HA GLY 41 -2.436 1.946 -5.956 321 H VAL 42 H VAL 42 -1.337 2.347 -3.213 322 HA VAL 42 HA VAL 42 0.398 0.159 -3.116 323 HB VAL 42 HB VAL 42 -0.268 2.061 -0.873 324 1HG1 VAL 42 1HG1 VAL 42 0.914 0.308 0.091 325 2HG1 VAL 42 2HG1 VAL 42 2.174 1.480 -0.317 326 3HG1 VAL 42 3HG1 VAL 42 1.911 0.072 -1.350 327 1HG2 VAL 42 1HG2 VAL 42 1.414 3.486 -1.668 328 2HG2 VAL 42 2HG2 VAL 42 0.500 3.043 -3.111 329 3HG2 VAL 42 3HG2 VAL 42 2.044 2.267 -2.767 330 H GLU 43 H GLU 43 -2.377 0.935 -1.031 331 HA GLU 43 HA GLU 43 -2.152 -1.441 0.524 332 1HB GLU 43 2HB GLU 43 -4.665 -0.795 1.024 333 2HB GLU 43 1HB GLU 43 -3.338 0.154 1.677 334 1HG GLU 43 2HG GLU 43 -3.632 1.857 0.088 335 2HG GLU 43 1HG GLU 43 -4.683 0.851 -0.910 336 H SER 44 H SER 44 -4.301 -0.493 -2.137 337 HA SER 44 HA SER 44 -5.685 -2.956 -2.259 338 1HB SER 44 2HB SER 44 -6.823 -2.033 -4.032 339 2HB SER 44 1HB SER 44 -6.161 -0.557 -3.327 340 HG SER 44 HG SER 44 -5.801 -1.453 -5.765 341 H LEU 45 H LEU 45 -2.612 -1.901 -3.380 342 HA LEU 45 HA LEU 45 -2.142 -3.590 -5.546 343 1HB LEU 45 2HB LEU 45 -0.541 -2.051 -3.642 344 2HB LEU 45 1HB LEU 45 0.291 -3.460 -4.258 345 1HD1 LEU 45 1HD1 LEU 45 1.231 -3.597 -6.042 346 2HD1 LEU 45 2HD1 LEU 45 1.989 -2.008 -6.171 347 3HD1 LEU 45 3HD1 LEU 45 0.954 -2.602 -7.472 348 1HD2 LEU 45 1HD2 LEU 45 -1.298 -2.670 -7.355 349 2HD2 LEU 45 2HD2 LEU 45 -1.107 -0.918 -7.309 350 3HD2 LEU 45 3HD2 LEU 45 -2.186 -1.717 -6.168 351 H LYS 46 H LYS 46 -1.163 -4.159 -2.155 352 HA LYS 46 HA LYS 46 -0.480 -6.877 -2.654 353 1HB LYS 46 2HB LYS 46 0.676 -6.285 -0.817 354 2HB LYS 46 1HB LYS 46 -0.479 -5.046 -0.351 355 1HG LYS 46 2HG LYS 46 -1.143 -7.934 0.067 356 2HG LYS 46 1HG LYS 46 -0.052 -7.103 1.181 357 1HD LYS 46 2HD LYS 46 -1.842 -5.323 1.399 358 2HD LYS 46 1HD LYS 46 -2.920 -6.432 0.557 359 1HE LYS 46 2HE LYS 46 -3.060 -7.860 2.311 360 2HE LYS 46 1HE LYS 46 -1.425 -7.505 2.870 361 1HZ LYS 46 1HZ LYS 46 -2.131 -5.780 4.126 362 2HZ LYS 46 2HZ LYS 46 -3.583 -6.647 4.125 363 3HZ LYS 46 3HZ LYS 46 -3.374 -5.347 3.062 364 H ASN 47 H ASN 47 -3.288 -5.339 -1.075 365 HA ASN 47 HA ASN 47 -4.618 -7.699 -0.386 366 1HB ASN 47 2HB ASN 47 -5.221 -5.285 0.253 367 2HB ASN 47 1HB ASN 47 -6.050 -5.198 -1.298 368 1HD2 ASN 47 1HD2 ASN 47 -7.680 -6.902 -1.698 369 2HD2 ASN 47 2HD2 ASN 47 -8.649 -7.421 -0.365 370 H GLU 48 H GLU 48 -4.225 -6.138 -3.453 371 HA GLU 48 HA GLU 48 -6.335 -7.608 -4.761 372 1HB GLU 48 2HB GLU 48 -5.693 -5.412 -5.619 373 2HB GLU 48 1HB GLU 48 -4.051 -5.978 -5.896 374 1HG GLU 48 2HG GLU 48 -4.800 -7.486 -7.606 375 2HG GLU 48 1HG GLU 48 -6.486 -7.100 -7.260 376 H ILE 49 H ILE 49 -2.859 -7.840 -4.358 377 HA ILE 49 HA ILE 49 -2.409 -9.967 -6.168 378 HB ILE 49 HB ILE 49 -0.278 -10.244 -5.165 379 1HG1 ILE 49 2HG1 ILE 49 -0.793 -8.522 -2.802 380 2HG1 ILE 49 1HG1 ILE 49 -1.418 -10.159 -2.741 381 1HG2 ILE 49 1HG2 ILE 49 -0.144 -7.486 -4.481 382 2HG2 ILE 49 2HG2 ILE 49 -1.246 -7.693 -5.843 383 3HG2 ILE 49 3HG2 ILE 49 0.406 -8.299 -5.947 384 1HD1 ILE 49 1HD1 ILE 49 1.403 -9.698 -3.513 385 2HD1 ILE 49 2HD1 ILE 49 0.665 -11.078 -2.700 386 3HD1 ILE 49 3HD1 ILE 49 0.930 -9.571 -1.820 387 H LEU 50 H LEU 50 -3.619 -9.762 -2.947 388 HA LEU 50 HA LEU 50 -3.374 -12.554 -2.340 389 1HB LEU 50 2HB LEU 50 -4.797 -10.243 -1.026 390 2HB LEU 50 1HB LEU 50 -4.848 -11.876 -0.382 391 HG LEU 50 HG LEU 50 -2.147 -10.831 -0.920 392 1HD1 LEU 50 1HD1 LEU 50 -2.990 -8.789 -0.115 393 2HD1 LEU 50 2HD1 LEU 50 -2.193 -9.559 1.259 394 3HD1 LEU 50 3HD1 LEU 50 -3.952 -9.587 1.131 395 1HD2 LEU 50 1HD2 LEU 50 -2.060 -11.730 1.567 396 2HD2 LEU 50 2HD2 LEU 50 -2.035 -12.822 0.182 397 3HD2 LEU 50 3HD2 LEU 50 -3.540 -12.545 1.063 398 H LYS 51 H LYS 51 -5.809 -10.406 -3.652 399 HA LYS 51 HA LYS 51 -8.033 -12.120 -3.416 400 1HB LYS 51 2HB LYS 51 -7.350 -9.828 -5.234 401 2HB LYS 51 1HB LYS 51 -8.814 -10.765 -5.499 402 1HG LYS 51 2HG LYS 51 -9.251 -10.273 -2.978 403 2HG LYS 51 1HG LYS 51 -8.105 -8.956 -3.239 404 1HD LYS 51 2HD LYS 51 -10.423 -9.366 -5.095 405 2HD LYS 51 1HD LYS 51 -10.628 -8.499 -3.571 406 1HE LYS 51 2HE LYS 51 -9.179 -6.787 -4.214 407 2HE LYS 51 1HE LYS 51 -8.445 -7.760 -5.486 408 1HZ LYS 51 1HZ LYS 51 -10.903 -7.692 -6.384 409 2HZ LYS 51 2HZ LYS 51 -9.795 -6.466 -6.738 410 3HZ LYS 51 3HZ LYS 51 -10.935 -6.244 -5.510 411 H ALA 52 H ALA 52 -5.251 -12.209 -5.408 412 HA ALA 52 HA ALA 52 -6.211 -14.617 -6.703 413 1HB ALA 52 1HB ALA 52 -5.590 -13.850 -8.951 414 2HB ALA 52 2HB ALA 52 -5.252 -12.245 -8.301 415 3HB ALA 52 3HB ALA 52 -6.897 -12.882 -8.268 416 H LEU 53 H LEU 53 -4.450 -14.883 -4.857 417 HA LEU 53 HA LEU 53 -1.749 -14.369 -5.508 418 1HB LEU 53 2HB LEU 53 -3.169 -15.438 -3.334 419 2HB LEU 53 1HB LEU 53 -2.052 -16.696 -3.831 420 HG LEU 53 HG LEU 53 -0.831 -14.034 -3.634 421 1HD1 LEU 53 1HD1 LEU 53 -2.490 -15.025 -1.464 422 2HD1 LEU 53 2HD1 LEU 53 -1.723 -13.451 -1.679 423 3HD1 LEU 53 3HD1 LEU 53 -0.809 -14.790 -0.982 424 1HD2 LEU 53 1HD2 LEU 53 1.010 -15.231 -3.119 425 2HD2 LEU 53 2HD2 LEU 53 0.079 -16.560 -3.813 426 3HD2 LEU 53 3HD2 LEU 53 0.128 -16.336 -2.064 427 HA PRO 54 HA PRO 54 -1.488 -18.944 -6.977 428 1HB PRO 54 2HB PRO 54 -3.782 -20.361 -7.241 429 2HB PRO 54 1HB PRO 54 -2.870 -20.295 -5.728 430 1HG PRO 54 2HG PRO 54 -5.309 -18.760 -6.539 431 2HG PRO 54 1HG PRO 54 -4.943 -19.541 -4.990 432 1HD PRO 54 2HD PRO 54 -4.653 -16.876 -5.394 433 2HD PRO 54 1HD PRO 54 -3.623 -17.795 -4.278 434 H THR 55 H THR 55 -1.388 -17.052 -8.665 435 HA THR 55 HA THR 55 -3.322 -17.552 -10.822 436 HB THR 55 HB THR 55 -1.982 -15.399 -11.709 437 HG1 THR 55 1HG THR 55 -1.115 -14.250 -10.156 438 1HG2 THR 55 1HG2 THR 55 -4.104 -14.756 -11.613 439 2HG2 THR 55 2HG2 THR 55 -3.726 -14.159 -9.997 440 3HG2 THR 55 3HG2 THR 55 -4.436 -15.761 -10.202 441 H GLU 56 H GLU 56 -2.301 -17.226 -13.075 442 HA GLU 56 HA GLU 56 -0.190 -19.172 -13.320 443 1HB GLU 56 2HB GLU 56 -1.827 -17.621 -15.315 444 2HB GLU 56 1HB GLU 56 -0.498 -18.660 -15.808 445 1HG GLU 56 2HG GLU 56 -1.599 -20.580 -14.828 446 2HG GLU 56 1HG GLU 56 -2.908 -19.555 -14.242 Start of MODEL 2 1 1H MET 1 1HT MET 1 -0.154 24.111 6.720 2 2H MET 1 2HT MET 1 1.332 24.665 7.370 3 3H MET 1 3HT MET 1 0.820 23.052 7.653 4 HA MET 1 HA MET 1 1.798 24.297 5.182 5 1HB MET 1 2HB MET 1 2.620 22.187 7.111 6 2HB MET 1 1HB MET 1 2.982 21.895 5.417 7 1HG MET 1 2HG MET 1 3.696 24.565 6.428 8 2HG MET 1 1HG MET 1 4.612 23.215 7.096 9 1HE MET 1 1HE MET 1 6.364 21.624 4.148 10 2HE MET 1 2HE MET 1 4.650 21.217 4.220 11 3HE MET 1 3HE MET 1 5.582 21.371 5.709 12 H GLU 2 H GLU 2 -0.075 21.607 6.519 13 HA GLU 2 HA GLU 2 -1.507 20.110 5.564 14 1HB GLU 2 2HB GLU 2 -2.546 22.236 4.759 15 2HB GLU 2 1HB GLU 2 -1.608 22.080 3.275 16 1HG GLU 2 2HG GLU 2 -2.994 20.533 2.430 17 2HG GLU 2 1HG GLU 2 -3.169 19.706 3.970 18 H ALA 3 H ALA 3 0.944 19.236 5.344 19 HA ALA 3 HA ALA 3 0.922 17.766 2.868 20 1HB ALA 3 1HB ALA 3 2.760 18.596 1.819 21 2HB ALA 3 2HB ALA 3 3.518 19.123 3.322 22 3HB ALA 3 3HB ALA 3 2.209 20.068 2.613 23 H VAL 4 H VAL 4 0.683 16.016 4.319 24 HA VAL 4 HA VAL 4 3.211 14.994 5.298 25 HB VAL 4 HB VAL 4 2.206 14.400 7.534 26 1HG1 VAL 4 1HG1 VAL 4 2.682 16.585 8.525 27 2HG1 VAL 4 2HG1 VAL 4 2.607 17.329 6.932 28 3HG1 VAL 4 3HG1 VAL 4 3.871 16.156 7.306 29 1HG2 VAL 4 1HG2 VAL 4 0.192 16.503 6.746 30 2HG2 VAL 4 2HG2 VAL 4 0.348 15.762 8.340 31 3HG2 VAL 4 3HG2 VAL 4 -0.139 14.776 6.958 32 H ASP 5 H ASP 5 1.171 14.336 3.260 33 HA ASP 5 HA ASP 5 -0.362 12.124 4.061 34 1HB ASP 5 2HB ASP 5 -0.555 11.644 1.646 35 2HB ASP 5 1HB ASP 5 -0.850 13.343 2.007 36 H ALA 6 H ALA 6 2.987 12.467 3.272 37 HA ALA 6 HA ALA 6 3.658 9.909 2.424 38 1HB ALA 6 1HB ALA 6 5.571 11.048 2.287 39 2HB ALA 6 2HB ALA 6 5.800 10.684 3.998 40 3HB ALA 6 3HB ALA 6 5.056 12.209 3.509 41 H ASN 7 H ASN 7 3.086 11.115 5.687 42 HA ASN 7 HA ASN 7 4.064 8.869 7.083 43 1HB ASN 7 2HB ASN 7 3.014 11.325 7.784 44 2HB ASN 7 1HB ASN 7 1.790 10.199 8.360 45 1HD2 ASN 7 1HD2 ASN 7 4.658 11.723 9.078 46 2HD2 ASN 7 2HD2 ASN 7 5.159 10.730 10.404 47 H SER 8 H SER 8 0.794 9.728 5.993 48 HA SER 8 HA SER 8 -0.397 7.323 6.944 49 1HB SER 8 2HB SER 8 -1.566 9.554 6.434 50 2HB SER 8 1HB SER 8 -1.512 9.057 4.742 51 HG SER 8 HG SER 8 -3.352 8.434 6.423 52 H LEU 9 H LEU 9 1.117 8.336 3.970 53 HA LEU 9 HA LEU 9 0.205 6.228 2.320 54 1HB LEU 9 2HB LEU 9 1.260 8.390 1.572 55 2HB LEU 9 1HB LEU 9 2.801 7.736 2.084 56 HG LEU 9 HG LEU 9 1.062 6.547 -0.072 57 1HD1 LEU 9 1HD1 LEU 9 2.362 8.837 -0.335 58 2HD1 LEU 9 2HD1 LEU 9 2.255 7.661 -1.640 59 3HD1 LEU 9 3HD1 LEU 9 3.701 7.732 -0.638 60 1HD2 LEU 9 1HD2 LEU 9 2.272 4.729 0.551 61 2HD2 LEU 9 2HD2 LEU 9 3.580 5.695 1.235 62 3HD2 LEU 9 3HD2 LEU 9 3.457 5.488 -0.511 63 H ALA 10 H ALA 10 3.132 6.687 4.261 64 HA ALA 10 HA ALA 10 4.422 4.301 3.538 65 1HB ALA 10 1HB ALA 10 5.492 4.742 5.934 66 2HB ALA 10 2HB ALA 10 4.731 6.313 5.683 67 3HB ALA 10 3HB ALA 10 5.905 5.706 4.515 68 H GLN 11 H GLN 11 1.781 4.856 5.684 69 HA GLN 11 HA GLN 11 2.187 2.458 7.222 70 1HB GLN 11 2HB GLN 11 1.143 4.258 8.372 71 2HB GLN 11 1HB GLN 11 -0.043 4.476 7.090 72 1HG GLN 11 2HG GLN 11 -0.945 2.253 7.615 73 2HG GLN 11 1HG GLN 11 0.163 2.146 8.976 74 1HE2 GLN 11 1HE2 GLN 11 -2.888 2.423 8.525 75 2HE2 GLN 11 2HE2 GLN 11 -3.343 3.618 9.684 76 H ALA 12 H ALA 12 -0.019 3.514 4.644 77 HA ALA 12 HA ALA 12 -1.647 1.288 4.489 78 1HB ALA 12 1HB ALA 12 -1.429 3.527 3.041 79 2HB ALA 12 2HB ALA 12 -2.342 2.118 2.495 80 3HB ALA 12 3HB ALA 12 -0.695 2.383 1.916 81 H LYS 13 H LYS 13 1.610 1.775 3.340 82 HA LYS 13 HA LYS 13 1.754 -0.852 2.107 83 1HB LYS 13 2HB LYS 13 4.291 0.003 1.982 84 2HB LYS 13 1HB LYS 13 3.064 0.478 0.822 85 1HG LYS 13 2HG LYS 13 2.832 2.585 1.704 86 2HG LYS 13 1HG LYS 13 3.534 2.118 3.260 87 1HD LYS 13 2HD LYS 13 5.047 2.269 0.648 88 2HD LYS 13 1HD LYS 13 5.048 3.528 1.883 89 1HE LYS 13 2HE LYS 13 6.127 0.726 2.092 90 2HE LYS 13 1HE LYS 13 7.025 2.240 2.184 91 1HZ LYS 13 1HZ LYS 13 5.527 0.860 4.230 92 2HZ LYS 13 2HZ LYS 13 5.254 2.527 4.177 93 3HZ LYS 13 3HZ LYS 13 6.825 1.934 4.377 94 H GLU 14 H GLU 14 3.459 0.904 4.712 95 HA GLU 14 HA GLU 14 4.997 -1.159 5.715 96 1HB GLU 14 2HB GLU 14 3.729 1.262 6.933 97 2HB GLU 14 1HB GLU 14 4.413 0.054 8.013 98 1HG GLU 14 2HG GLU 14 6.335 0.511 6.011 99 2HG GLU 14 1HG GLU 14 5.737 2.092 6.513 100 H ALA 15 H ALA 15 1.618 -0.426 6.153 101 HA ALA 15 HA ALA 15 1.193 -2.593 8.036 102 1HB ALA 15 1HB ALA 15 -0.923 -1.754 8.347 103 2HB ALA 15 2HB ALA 15 -1.059 -1.183 6.684 104 3HB ALA 15 3HB ALA 15 -0.066 -0.298 7.843 105 H ALA 16 H ALA 16 0.770 -1.977 4.610 106 HA ALA 16 HA ALA 16 -0.830 -4.278 4.080 107 1HB ALA 16 1HB ALA 16 0.724 -2.393 2.338 108 2HB ALA 16 2HB ALA 16 -1.022 -2.591 2.478 109 3HB ALA 16 3HB ALA 16 -0.056 -3.829 1.676 110 H ILE 17 H ILE 17 2.582 -3.719 4.419 111 HA ILE 17 HA ILE 17 3.368 -6.126 3.052 112 HB ILE 17 HB ILE 17 5.615 -5.700 4.023 113 1HG1 ILE 17 2HG1 ILE 17 4.300 -3.239 5.189 114 2HG1 ILE 17 1HG1 ILE 17 4.871 -4.621 6.117 115 1HG2 ILE 17 1HG2 ILE 17 5.977 -3.523 2.817 116 2HG2 ILE 17 2HG2 ILE 17 4.232 -3.460 2.568 117 3HG2 ILE 17 3HG2 ILE 17 5.173 -4.785 1.883 118 1HD1 ILE 17 1HD1 ILE 17 6.678 -2.982 4.371 119 2HD1 ILE 17 2HD1 ILE 17 7.123 -4.136 5.628 120 3HD1 ILE 17 3HD1 ILE 17 6.373 -2.601 6.065 121 H LYS 18 H LYS 18 2.675 -5.152 6.343 122 HA LYS 18 HA LYS 18 3.727 -7.363 7.708 123 1HB LYS 18 2HB LYS 18 2.346 -5.082 8.406 124 2HB LYS 18 1HB LYS 18 1.189 -6.352 8.778 125 1HG LYS 18 2HG LYS 18 3.067 -7.478 10.064 126 2HG LYS 18 1HG LYS 18 3.942 -5.954 9.903 127 1HD LYS 18 2HD LYS 18 2.759 -6.065 12.035 128 2HD LYS 18 1HD LYS 18 2.103 -4.783 11.015 129 1HE LYS 18 2HE LYS 18 0.842 -7.459 10.823 130 2HE LYS 18 1HE LYS 18 0.555 -6.534 12.296 131 1HZ LYS 18 1HZ LYS 18 0.244 -4.984 9.894 132 2HZ LYS 18 2HZ LYS 18 -0.788 -5.130 11.228 133 3HZ LYS 18 3HZ LYS 18 -0.838 -6.282 9.990 134 H GLU 19 H GLU 19 0.725 -6.895 5.962 135 HA GLU 19 HA GLU 19 -0.507 -9.322 6.807 136 1HB GLU 19 2HB GLU 19 -0.989 -7.438 4.505 137 2HB GLU 19 1HB GLU 19 -1.910 -8.925 4.684 138 1HG GLU 19 2HG GLU 19 -1.884 -7.477 7.162 139 2HG GLU 19 1HG GLU 19 -2.425 -6.433 5.850 140 H LEU 20 H LEU 20 1.583 -8.382 4.152 141 HA LEU 20 HA LEU 20 1.390 -10.756 2.650 142 1HB LEU 20 2HB LEU 20 2.869 -8.336 2.548 143 2HB LEU 20 1HB LEU 20 4.024 -9.654 2.476 144 HG LEU 20 HG LEU 20 2.079 -10.436 0.695 145 1HD1 LEU 20 1HD1 LEU 20 0.880 -8.606 0.215 146 2HD1 LEU 20 2HD1 LEU 20 2.292 -8.138 -0.732 147 3HD1 LEU 20 3HD1 LEU 20 2.082 -7.517 0.904 148 1HD2 LEU 20 1HD2 LEU 20 4.707 -10.277 0.664 149 2HD2 LEU 20 2HD2 LEU 20 4.367 -8.846 -0.311 150 3HD2 LEU 20 3HD2 LEU 20 3.771 -10.425 -0.822 151 H LYS 21 H LYS 21 3.260 -9.822 5.445 152 HA LYS 21 HA LYS 21 4.926 -12.174 5.413 153 1HB LYS 21 2HB LYS 21 5.590 -9.925 6.385 154 2HB LYS 21 1HB LYS 21 4.488 -10.265 7.713 155 1HG LYS 21 2HG LYS 21 6.137 -12.529 7.432 156 2HG LYS 21 1HG LYS 21 7.187 -11.115 7.344 157 1HD LYS 21 2HD LYS 21 7.134 -11.219 9.591 158 2HD LYS 21 1HD LYS 21 5.562 -10.436 9.413 159 1HE LYS 21 2HE LYS 21 4.528 -12.710 9.339 160 2HE LYS 21 1HE LYS 21 6.111 -13.384 9.722 161 1HZ LYS 21 1HZ LYS 21 4.263 -11.897 11.424 162 2HZ LYS 21 2HZ LYS 21 5.915 -11.647 11.679 163 3HZ LYS 21 3HZ LYS 21 5.269 -13.204 11.803 164 H GLN 22 H GLN 22 2.030 -11.040 7.057 165 HA GLN 22 HA GLN 22 1.828 -13.263 8.839 166 1HB GLN 22 2HB GLN 22 0.743 -11.055 9.239 167 2HB GLN 22 1HB GLN 22 -0.353 -11.387 7.904 168 1HG GLN 22 2HG GLN 22 -0.930 -13.530 9.234 169 2HG GLN 22 1HG GLN 22 -0.214 -12.668 10.595 170 1HE2 GLN 22 1HE2 GLN 22 -2.901 -13.480 10.446 171 2HE2 GLN 22 2HE2 GLN 22 -3.891 -12.063 10.430 172 H TYR 23 H TYR 23 0.793 -12.583 5.586 173 HA TYR 23 HA TYR 23 -0.979 -14.853 5.409 174 1HB TYR 23 2HB TYR 23 -0.096 -12.660 3.610 175 2HB TYR 23 1HB TYR 23 -0.592 -14.164 2.835 176 HD1 TYR 23 1HD TYR 23 -2.881 -15.142 3.812 177 HD2 TYR 23 2HD TYR 23 -1.703 -11.059 3.928 178 HE1 TYR 23 1HE TYR 23 -5.234 -14.476 4.010 179 HE2 TYR 23 2HE TYR 23 -4.051 -10.380 4.129 180 HH TYR 23 HH TYR 23 -6.415 -12.181 5.088 181 H GLY 24 H GLY 24 2.253 -13.977 4.272 182 1HA GLY 24 2HA GLY 24 3.945 -15.756 4.337 183 2HA GLY 24 1HA GLY 24 2.717 -16.837 3.698 184 H ILE 25 H ILE 25 2.063 -14.157 2.038 185 HA ILE 25 HA ILE 25 2.973 -15.049 -0.408 186 HB ILE 25 HB ILE 25 3.015 -12.117 -0.268 187 1HG1 ILE 25 2HG1 ILE 25 0.526 -13.614 0.589 188 2HG1 ILE 25 1HG1 ILE 25 1.418 -12.423 1.534 189 1HG2 ILE 25 1HG2 ILE 25 2.691 -12.718 -2.398 190 2HG2 ILE 25 2HG2 ILE 25 0.991 -12.836 -1.927 191 3HG2 ILE 25 3HG2 ILE 25 2.002 -14.281 -1.961 192 1HD1 ILE 25 1HD1 ILE 25 -0.464 -12.033 -0.718 193 2HD1 ILE 25 2HD1 ILE 25 0.873 -10.897 -0.557 194 3HD1 ILE 25 3HD1 ILE 25 -0.268 -11.109 0.771 195 H GLY 26 H GLY 26 4.559 -13.728 -1.882 196 1HA GLY 26 2HA GLY 26 7.155 -13.984 -0.647 197 2HA GLY 26 1HA GLY 26 6.828 -13.605 -2.336 198 H ASP 27 H ASP 27 8.766 -12.395 -0.524 199 HA ASP 27 HA ASP 27 7.925 -9.885 0.408 200 1HB ASP 27 2HB ASP 27 10.537 -11.153 -0.229 201 2HB ASP 27 1HB ASP 27 10.511 -9.395 -0.127 202 H TYR 28 H TYR 28 8.611 -11.007 -2.794 203 HA TYR 28 HA TYR 28 9.366 -8.769 -4.192 204 1HB TYR 28 2HB TYR 28 8.488 -11.229 -4.934 205 2HB TYR 28 1HB TYR 28 7.093 -10.255 -5.386 206 HD1 TYR 28 1HD TYR 28 8.774 -7.738 -6.010 207 HD2 TYR 28 2HD TYR 28 9.093 -11.805 -7.207 208 HE1 TYR 28 1HE TYR 28 9.906 -7.033 -8.057 209 HE2 TYR 28 2HE TYR 28 10.233 -11.111 -9.273 210 HH TYR 28 HH TYR 28 10.125 -8.373 -10.603 211 H TYR 29 H TYR 29 6.122 -9.688 -3.220 212 HA TYR 29 HA TYR 29 4.920 -7.322 -4.260 213 1HB TYR 29 2HB TYR 29 3.685 -9.342 -2.386 214 2HB TYR 29 1HB TYR 29 2.848 -8.235 -3.466 215 HD1 TYR 29 1HD TYR 29 2.597 -11.296 -3.439 216 HD2 TYR 29 2HD TYR 29 5.024 -8.636 -5.722 217 HE1 TYR 29 1HE TYR 29 2.742 -12.976 -5.227 218 HE2 TYR 29 2HE TYR 29 5.181 -10.320 -7.508 219 HH TYR 29 HH TYR 29 3.899 -12.263 -8.329 220 H ILE 30 H ILE 30 6.369 -8.066 -1.195 221 HA ILE 30 HA ILE 30 4.962 -5.976 0.210 222 HB ILE 30 HB ILE 30 6.163 -6.495 2.067 223 1HG1 ILE 30 2HG1 ILE 30 8.554 -7.538 1.865 224 2HG1 ILE 30 1HG1 ILE 30 8.499 -6.849 0.246 225 1HG2 ILE 30 1HG2 ILE 30 6.968 -8.946 1.957 226 2HG2 ILE 30 2HG2 ILE 30 6.277 -8.908 0.338 227 3HG2 ILE 30 3HG2 ILE 30 5.264 -8.564 1.735 228 1HD1 ILE 30 1HD1 ILE 30 9.254 -4.982 1.181 229 2HD1 ILE 30 2HD1 ILE 30 8.886 -5.553 2.809 230 3HD1 ILE 30 3HD1 ILE 30 7.626 -4.789 1.834 231 H LYS 31 H LYS 31 7.824 -6.375 -1.697 232 HA LYS 31 HA LYS 31 8.903 -3.755 -1.201 233 1HB LYS 31 2HB LYS 31 9.594 -5.768 -3.342 234 2HB LYS 31 1HB LYS 31 10.551 -4.361 -2.900 235 1HG LYS 31 2HG LYS 31 9.947 -6.659 -1.053 236 2HG LYS 31 1HG LYS 31 11.428 -6.489 -1.996 237 1HD LYS 31 2HD LYS 31 12.150 -4.654 -0.761 238 2HD LYS 31 1HD LYS 31 10.530 -4.301 -0.158 239 1HE LYS 31 2HE LYS 31 10.728 -6.617 0.992 240 2HE LYS 31 1HE LYS 31 12.458 -6.416 0.719 241 1HZ LYS 31 1HZ LYS 31 12.578 -4.669 2.170 242 2HZ LYS 31 2HZ LYS 31 11.362 -5.582 2.911 243 3HZ LYS 31 3HZ LYS 31 10.955 -4.231 1.978 244 H LEU 32 H LEU 32 7.372 -5.401 -3.972 245 HA LEU 32 HA LEU 32 7.388 -3.315 -5.758 246 1HB LEU 32 2HB LEU 32 6.213 -4.716 -7.068 247 2HB LEU 32 1HB LEU 32 6.408 -5.853 -5.757 248 HG LEU 32 HG LEU 32 4.150 -5.963 -6.348 249 1HD1 LEU 32 1HD1 LEU 32 3.513 -4.155 -4.228 250 2HD1 LEU 32 2HD1 LEU 32 5.011 -5.023 -3.876 251 3HD1 LEU 32 3HD1 LEU 32 3.526 -5.921 -4.232 252 1HD2 LEU 32 1HD2 LEU 32 3.528 -3.105 -5.960 253 2HD2 LEU 32 2HD2 LEU 32 2.856 -4.266 -7.103 254 3HD2 LEU 32 3HD2 LEU 32 4.416 -3.512 -7.427 255 H ILE 33 H ILE 33 5.645 -3.578 -2.845 256 HA ILE 33 HA ILE 33 3.547 -1.717 -3.439 257 HB ILE 33 HB ILE 33 4.568 -3.100 -0.987 258 1HG1 ILE 33 2HG1 ILE 33 1.912 -2.897 -2.401 259 2HG1 ILE 33 1HG1 ILE 33 2.983 -4.291 -2.319 260 1HG2 ILE 33 1HG2 ILE 33 3.934 -1.547 0.457 261 2HG2 ILE 33 2HG2 ILE 33 2.315 -1.535 -0.240 262 3HG2 ILE 33 3HG2 ILE 33 3.554 -0.457 -0.874 263 1HD1 ILE 33 1HD1 ILE 33 0.804 -3.770 -0.704 264 2HD1 ILE 33 2HD1 ILE 33 2.196 -3.409 0.315 265 3HD1 ILE 33 3HD1 ILE 33 2.044 -4.994 -0.443 266 H ASN 34 H ASN 34 6.445 -1.564 -1.365 267 HA ASN 34 HA ASN 34 6.328 1.121 -0.711 268 1HB ASN 34 2HB ASN 34 7.866 -0.416 0.374 269 2HB ASN 34 1HB ASN 34 8.763 -0.622 -1.125 270 1HD2 ASN 34 1HD2 ASN 34 7.478 2.363 0.249 271 2HD2 ASN 34 2HD2 ASN 34 9.010 3.131 0.468 272 H ASN 35 H ASN 35 7.182 -0.324 -3.736 273 HA ASN 35 HA ASN 35 8.727 1.816 -4.779 274 1HB ASN 35 2HB ASN 35 8.709 -0.535 -5.660 275 2HB ASN 35 1HB ASN 35 7.118 -0.208 -6.343 276 1HD2 ASN 35 1HD2 ASN 35 7.830 -0.531 -8.438 277 2HD2 ASN 35 2HD2 ASN 35 8.842 0.604 -9.258 278 H ALA 36 H ALA 36 5.317 1.296 -4.444 279 HA ALA 36 HA ALA 36 4.333 2.915 -6.494 280 1HB ALA 36 1HB ALA 36 2.497 3.291 -4.531 281 2HB ALA 36 2HB ALA 36 3.292 1.812 -3.993 282 3HB ALA 36 3HB ALA 36 2.562 1.887 -5.595 283 H LYS 37 H LYS 37 3.457 5.028 -6.447 284 HA LYS 37 HA LYS 37 5.112 6.870 -4.901 285 1HB LYS 37 2HB LYS 37 3.410 7.172 -7.368 286 2HB LYS 37 1HB LYS 37 4.063 8.560 -6.509 287 1HG LYS 37 2HG LYS 37 5.578 8.155 -8.240 288 2HG LYS 37 1HG LYS 37 6.343 7.473 -6.803 289 1HD LYS 37 2HD LYS 37 6.549 5.973 -8.733 290 2HD LYS 37 1HD LYS 37 5.595 5.244 -7.445 291 1HE LYS 37 2HE LYS 37 3.685 5.272 -8.663 292 2HE LYS 37 1HE LYS 37 4.101 6.780 -9.479 293 1HZ LYS 37 1HZ LYS 37 4.135 4.406 -10.672 294 2HZ LYS 37 2HZ LYS 37 5.742 4.479 -10.149 295 3HZ LYS 37 3HZ LYS 37 5.123 5.696 -11.148 296 H THR 38 H THR 38 1.732 6.127 -5.589 297 HA THR 38 HA THR 38 0.826 8.095 -3.633 298 HB THR 38 HB THR 38 -1.383 7.692 -4.460 299 HG1 THR 38 1HG THR 38 -1.609 5.570 -4.713 300 1HG2 THR 38 1HG2 THR 38 0.738 8.019 -6.467 301 2HG2 THR 38 2HG2 THR 38 -0.679 9.012 -6.130 302 3HG2 THR 38 3HG2 THR 38 -0.841 7.537 -7.084 303 H VAL 39 H VAL 39 -1.539 6.579 -2.839 304 HA VAL 39 HA VAL 39 -0.296 4.394 -1.338 305 HB VAL 39 HB VAL 39 -0.658 6.608 -0.021 306 1HG1 VAL 39 1HG1 VAL 39 -2.765 6.779 1.087 307 2HG1 VAL 39 2HG1 VAL 39 -3.360 5.334 0.268 308 3HG1 VAL 39 3HG1 VAL 39 -3.045 6.804 -0.655 309 1HG2 VAL 39 1HG2 VAL 39 -1.215 3.796 0.787 310 2HG2 VAL 39 2HG2 VAL 39 -1.298 5.097 1.975 311 3HG2 VAL 39 3HG2 VAL 39 0.208 4.785 1.108 312 H GLU 40 H GLU 40 -3.302 5.792 -2.547 313 HA GLU 40 HA GLU 40 -5.147 3.939 -1.747 314 1HB GLU 40 2HB GLU 40 -4.865 5.695 -4.103 315 2HB GLU 40 1HB GLU 40 -6.000 4.364 -4.276 316 1HG GLU 40 2HG GLU 40 -7.341 6.062 -3.490 317 2HG GLU 40 1HG GLU 40 -6.942 5.180 -2.015 318 H GLY 41 H GLY 41 -3.005 3.676 -4.572 319 1HA GLY 41 2HA GLY 41 -3.972 1.055 -5.250 320 2HA GLY 41 1HA GLY 41 -2.588 1.873 -5.962 321 H VAL 42 H VAL 42 -1.475 2.328 -3.214 322 HA VAL 42 HA VAL 42 0.279 0.160 -3.104 323 HB VAL 42 HB VAL 42 -0.401 2.043 -0.852 324 1HG1 VAL 42 1HG1 VAL 42 1.856 0.156 -1.407 325 2HG1 VAL 42 2HG1 VAL 42 0.860 0.298 0.048 326 3HG1 VAL 42 3HG1 VAL 42 2.056 1.543 -0.334 327 1HG2 VAL 42 1HG2 VAL 42 0.194 3.270 -2.875 328 2HG2 VAL 42 2HG2 VAL 42 1.645 2.289 -3.047 329 3HG2 VAL 42 3HG2 VAL 42 1.482 3.380 -1.676 330 H GLU 43 H GLU 43 -2.494 0.911 -1.011 331 HA GLU 43 HA GLU 43 -2.235 -1.432 0.573 332 1HB GLU 43 2HB GLU 43 -4.803 -0.840 0.979 333 2HB GLU 43 1HB GLU 43 -3.504 0.092 1.708 334 1HG GLU 43 2HG GLU 43 -3.726 1.827 0.134 335 2HG GLU 43 1HG GLU 43 -4.754 0.846 -0.913 336 H SER 44 H SER 44 -4.482 -0.597 -2.056 337 HA SER 44 HA SER 44 -5.723 -3.128 -2.164 338 1HB SER 44 2HB SER 44 -6.139 -0.673 -3.347 339 2HB SER 44 1HB SER 44 -5.625 -1.675 -4.707 340 HG SER 44 HG SER 44 -7.459 -2.694 -4.621 341 H LEU 45 H LEU 45 -2.719 -1.934 -3.347 342 HA LEU 45 HA LEU 45 -2.195 -3.585 -5.520 343 1HB LEU 45 2HB LEU 45 -0.653 -2.004 -3.622 344 2HB LEU 45 1HB LEU 45 0.224 -3.417 -4.160 345 1HD1 LEU 45 1HD1 LEU 45 1.951 -2.030 -6.115 346 2HD1 LEU 45 2HD1 LEU 45 0.933 -2.690 -7.394 347 3HD1 LEU 45 3HD1 LEU 45 1.204 -3.616 -5.918 348 1HD2 LEU 45 1HD2 LEU 45 -2.215 -1.723 -6.177 349 2HD2 LEU 45 2HD2 LEU 45 -1.316 -2.717 -7.321 350 3HD2 LEU 45 3HD2 LEU 45 -1.106 -0.966 -7.318 351 H LYS 46 H LYS 46 -1.241 -4.172 -2.131 352 HA LYS 46 HA LYS 46 -0.490 -6.871 -2.628 353 1HB LYS 46 2HB LYS 46 0.584 -6.271 -0.741 354 2HB LYS 46 1HB LYS 46 -0.610 -5.053 -0.318 355 1HG LYS 46 2HG LYS 46 -1.215 -7.962 0.070 356 2HG LYS 46 1HG LYS 46 -0.221 -7.085 1.239 357 1HD LYS 46 2HD LYS 46 -2.087 -5.374 1.343 358 2HD LYS 46 1HD LYS 46 -3.071 -6.526 0.447 359 1HE LYS 46 2HE LYS 46 -3.427 -7.791 2.245 360 2HE LYS 46 1HE LYS 46 -1.732 -7.726 2.729 361 1HZ LYS 46 1HZ LYS 46 -3.561 -6.641 4.201 362 2HZ LYS 46 2HZ LYS 46 -3.423 -5.354 3.113 363 3HZ LYS 46 3HZ LYS 46 -2.073 -5.863 3.996 364 H ASN 47 H ASN 47 -3.387 -5.350 -1.245 365 HA ASN 47 HA ASN 47 -4.737 -7.701 -0.555 366 1HB ASN 47 2HB ASN 47 -5.467 -5.420 0.115 367 2HB ASN 47 1HB ASN 47 -5.963 -5.108 -1.546 368 1HD2 ASN 47 1HD2 ASN 47 -8.089 -4.754 -0.898 369 2HD2 ASN 47 2HD2 ASN 47 -9.135 -6.052 -0.442 370 H GLU 48 H GLU 48 -4.249 -6.161 -3.631 371 HA GLU 48 HA GLU 48 -6.253 -7.700 -5.013 372 1HB GLU 48 2HB GLU 48 -4.140 -5.744 -5.795 373 2HB GLU 48 1HB GLU 48 -4.735 -6.843 -7.031 374 1HG GLU 48 2HG GLU 48 -6.858 -5.947 -6.999 375 2HG GLU 48 1HG GLU 48 -6.669 -5.289 -5.375 376 H ILE 49 H ILE 49 -2.789 -7.856 -4.470 377 HA ILE 49 HA ILE 49 -2.227 -10.006 -6.217 378 HB ILE 49 HB ILE 49 -0.130 -10.203 -5.149 379 1HG1 ILE 49 2HG1 ILE 49 -0.825 -8.537 -2.781 380 2HG1 ILE 49 1HG1 ILE 49 -1.325 -10.216 -2.771 381 1HG2 ILE 49 1HG2 ILE 49 -1.151 -7.671 -5.830 382 2HG2 ILE 49 2HG2 ILE 49 0.520 -8.229 -5.888 383 3HG2 ILE 49 3HG2 ILE 49 -0.099 -7.451 -4.433 384 1HD1 ILE 49 1HD1 ILE 49 0.982 -9.389 -1.807 385 2HD1 ILE 49 2HD1 ILE 49 1.467 -9.627 -3.485 386 3HD1 ILE 49 3HD1 ILE 49 0.785 -10.969 -2.568 387 H LEU 50 H LEU 50 -3.534 -9.764 -3.031 388 HA LEU 50 HA LEU 50 -3.272 -12.539 -2.377 389 1HB LEU 50 2HB LEU 50 -4.775 -10.240 -1.136 390 2HB LEU 50 1HB LEU 50 -4.799 -11.863 -0.467 391 HG LEU 50 HG LEU 50 -2.120 -10.732 -0.967 392 1HD1 LEU 50 1HD1 LEU 50 -3.119 -8.735 -0.163 393 2HD1 LEU 50 2HD1 LEU 50 -2.214 -9.449 1.172 394 3HD1 LEU 50 3HD1 LEU 50 -3.970 -9.603 1.116 395 1HD2 LEU 50 1HD2 LEU 50 -2.031 -11.650 1.511 396 2HD2 LEU 50 2HD2 LEU 50 -1.955 -12.729 0.114 397 3HD2 LEU 50 3HD2 LEU 50 -3.478 -12.512 0.983 398 H LYS 51 H LYS 51 -5.682 -10.468 -3.843 399 HA LYS 51 HA LYS 51 -7.939 -12.098 -3.610 400 1HB LYS 51 2HB LYS 51 -7.599 -9.703 -4.663 401 2HB LYS 51 1HB LYS 51 -7.410 -10.613 -6.156 402 1HG LYS 51 2HG LYS 51 -9.599 -11.420 -6.079 403 2HG LYS 51 1HG LYS 51 -9.783 -11.018 -4.370 404 1HD LYS 51 2HD LYS 51 -10.883 -9.221 -5.170 405 2HD LYS 51 1HD LYS 51 -9.258 -8.574 -5.403 406 1HE LYS 51 2HE LYS 51 -9.260 -9.086 -7.690 407 2HE LYS 51 1HE LYS 51 -10.620 -10.197 -7.526 408 1HZ LYS 51 1HZ LYS 51 -12.040 -8.284 -7.020 409 2HZ LYS 51 2HZ LYS 51 -11.324 -8.145 -8.545 410 3HZ LYS 51 3HZ LYS 51 -10.722 -7.243 -7.246 411 H ALA 52 H ALA 52 -5.088 -12.364 -5.547 412 HA ALA 52 HA ALA 52 -6.054 -14.921 -6.605 413 1HB ALA 52 1HB ALA 52 -6.312 -13.408 -8.447 414 2HB ALA 52 2HB ALA 52 -4.903 -14.421 -8.762 415 3HB ALA 52 3HB ALA 52 -4.689 -12.760 -8.204 416 H LEU 53 H LEU 53 -4.557 -14.788 -4.376 417 HA LEU 53 HA LEU 53 -1.813 -14.660 -4.529 418 1HB LEU 53 2HB LEU 53 -3.226 -14.997 -2.480 419 2HB LEU 53 1HB LEU 53 -3.346 -16.690 -2.915 420 HG LEU 53 HG LEU 53 -0.582 -15.966 -2.893 421 1HD1 LEU 53 1HD1 LEU 53 -0.656 -14.287 -1.381 422 2HD1 LEU 53 2HD1 LEU 53 -0.737 -15.635 -0.247 423 3HD1 LEU 53 3HD1 LEU 53 -2.212 -14.795 -0.725 424 1HD2 LEU 53 1HD2 LEU 53 -0.870 -17.587 -0.782 425 2HD2 LEU 53 2HD2 LEU 53 -0.888 -18.163 -2.449 426 3HD2 LEU 53 3HD2 LEU 53 -2.406 -17.892 -1.592 427 HA PRO 54 HA PRO 54 -0.889 -18.068 -7.274 428 1HB PRO 54 2HB PRO 54 1.800 -17.874 -7.194 429 2HB PRO 54 1HB PRO 54 0.801 -16.711 -8.072 430 1HG PRO 54 2HG PRO 54 2.043 -16.471 -5.359 431 2HG PRO 54 1HG PRO 54 1.965 -15.272 -6.664 432 1HD PRO 54 2HD PRO 54 0.279 -15.255 -4.529 433 2HD PRO 54 1HD PRO 54 -0.180 -14.647 -6.132 434 H THR 55 H THR 55 1.252 -19.721 -7.055 435 HA THR 55 HA THR 55 2.116 -21.528 -5.975 436 HB THR 55 HB THR 55 1.168 -20.372 -3.359 437 HG1 THR 55 1HG THR 55 3.586 -19.714 -4.679 438 1HG2 THR 55 1HG2 THR 55 3.531 -21.269 -2.747 439 2HG2 THR 55 2HG2 THR 55 3.305 -22.273 -4.180 440 3HG2 THR 55 3HG2 THR 55 2.157 -22.370 -2.843 441 H GLU 56 H GLU 56 -0.077 -22.145 -7.144 442 HA GLU 56 HA GLU 56 -1.219 -24.227 -5.654 443 1HB GLU 56 2HB GLU 56 -2.312 -22.105 -4.641 444 2HB GLU 56 1HB GLU 56 -3.239 -22.057 -6.135 445 1HG GLU 56 2HG GLU 56 -4.531 -23.792 -5.545 446 2HG GLU 56 1HG GLU 56 -3.199 -24.662 -4.787 Start of MODEL 3 1 1H MET 1 1HT MET 1 -0.300 22.463 6.360 2 2H MET 1 2HT MET 1 0.696 23.868 6.336 3 3H MET 1 3HT MET 1 -1.001 24.006 6.098 4 HA MET 1 HA MET 1 -0.072 24.624 8.326 5 1HB MET 1 2HB MET 1 -2.048 23.441 9.425 6 2HB MET 1 1HB MET 1 -2.399 24.469 8.052 7 1HG MET 1 2HG MET 1 -2.258 22.319 6.657 8 2HG MET 1 1HG MET 1 -2.399 21.488 8.206 9 1HE MET 1 1HE MET 1 -4.376 20.909 5.945 10 2HE MET 1 2HE MET 1 -5.974 21.069 6.667 11 3HE MET 1 3HE MET 1 -4.692 20.241 7.550 12 H GLU 2 H GLU 2 -0.498 21.131 7.758 13 HA GLU 2 HA GLU 2 1.611 20.642 9.744 14 1HB GLU 2 2HB GLU 2 -0.902 20.198 10.440 15 2HB GLU 2 1HB GLU 2 -0.656 18.707 9.533 16 1HG GLU 2 2HG GLU 2 -0.117 18.081 11.678 17 2HG GLU 2 1HG GLU 2 1.464 18.454 10.987 18 H ALA 3 H ALA 3 -0.342 19.192 7.151 19 HA ALA 3 HA ALA 3 0.184 17.763 5.462 20 1HB ALA 3 1HB ALA 3 2.726 19.185 5.993 21 2HB ALA 3 2HB ALA 3 1.803 19.023 4.498 22 3HB ALA 3 3HB ALA 3 2.829 17.694 5.046 23 H VAL 4 H VAL 4 -0.023 15.646 5.683 24 HA VAL 4 HA VAL 4 2.019 14.093 7.036 25 HB VAL 4 HB VAL 4 -0.841 13.754 7.917 26 1HG1 VAL 4 1HG1 VAL 4 1.783 12.537 8.637 27 2HG1 VAL 4 2HG1 VAL 4 0.214 11.772 8.383 28 3HG1 VAL 4 3HG1 VAL 4 0.528 12.667 9.867 29 1HG2 VAL 4 1HG2 VAL 4 -0.134 14.827 10.045 30 2HG2 VAL 4 2HG2 VAL 4 -0.174 15.934 8.671 31 3HG2 VAL 4 3HG2 VAL 4 1.370 15.313 9.254 32 H ASP 5 H ASP 5 0.999 14.382 4.322 33 HA ASP 5 HA ASP 5 -0.658 12.194 3.653 34 1HB ASP 5 2HB ASP 5 0.123 12.627 1.321 35 2HB ASP 5 1HB ASP 5 -0.493 14.059 2.139 36 H ALA 6 H ALA 6 2.858 12.667 3.499 37 HA ALA 6 HA ALA 6 3.502 10.153 2.432 38 1HB ALA 6 1HB ALA 6 5.707 10.765 3.901 39 2HB ALA 6 2HB ALA 6 4.952 12.346 3.735 40 3HB ALA 6 3HB ALA 6 5.358 11.410 2.298 41 H ASN 7 H ASN 7 2.974 11.220 5.751 42 HA ASN 7 HA ASN 7 3.950 8.895 7.029 43 1HB ASN 7 2HB ASN 7 3.160 11.288 7.938 44 2HB ASN 7 1HB ASN 7 1.693 10.384 8.270 45 1HD2 ASN 7 1HD2 ASN 7 1.847 8.529 9.636 46 2HD2 ASN 7 2HD2 ASN 7 3.095 8.419 10.818 47 H SER 8 H SER 8 0.675 9.849 6.039 48 HA SER 8 HA SER 8 -0.565 7.463 6.929 49 1HB SER 8 2HB SER 8 -1.744 9.645 6.477 50 2HB SER 8 1HB SER 8 -1.551 9.320 4.754 51 HG SER 8 HG SER 8 -3.473 8.476 6.322 52 H LEU 9 H LEU 9 1.016 8.440 3.979 53 HA LEU 9 HA LEU 9 0.087 6.365 2.305 54 1HB LEU 9 2HB LEU 9 1.216 8.486 1.577 55 2HB LEU 9 1HB LEU 9 2.731 7.812 2.145 56 HG LEU 9 HG LEU 9 1.044 6.576 -0.029 57 1HD1 LEU 9 1HD1 LEU 9 3.479 8.321 -0.222 58 2HD1 LEU 9 2HD1 LEU 9 1.850 8.726 -0.760 59 3HD1 LEU 9 3HD1 LEU 9 2.752 7.441 -1.566 60 1HD2 LEU 9 1HD2 LEU 9 3.527 5.806 1.354 61 2HD2 LEU 9 2HD2 LEU 9 3.540 5.653 -0.403 62 3HD2 LEU 9 3HD2 LEU 9 2.316 4.809 0.546 63 H ALA 10 H ALA 10 2.980 6.723 4.317 64 HA ALA 10 HA ALA 10 4.208 4.298 3.615 65 1HB ALA 10 1HB ALA 10 4.677 5.310 6.342 66 2HB ALA 10 2HB ALA 10 4.986 6.443 5.026 67 3HB ALA 10 3HB ALA 10 5.824 4.892 5.068 68 H GLN 11 H GLN 11 1.516 4.920 5.665 69 HA GLN 11 HA GLN 11 1.813 2.535 7.247 70 1HB GLN 11 2HB GLN 11 0.728 4.369 8.310 71 2HB GLN 11 1HB GLN 11 -0.394 4.566 6.968 72 1HG GLN 11 2HG GLN 11 -1.336 2.363 7.489 73 2HG GLN 11 1HG GLN 11 -0.288 2.265 8.899 74 1HE2 GLN 11 1HE2 GLN 11 -2.390 4.746 7.461 75 2HE2 GLN 11 2HE2 GLN 11 -3.240 5.113 8.916 76 H ALA 12 H ALA 12 -0.227 3.580 4.538 77 HA ALA 12 HA ALA 12 -1.892 1.395 4.307 78 1HB ALA 12 1HB ALA 12 -0.711 2.408 1.792 79 2HB ALA 12 2HB ALA 12 -1.515 3.587 2.833 80 3HB ALA 12 3HB ALA 12 -2.404 2.183 2.238 81 H LYS 13 H LYS 13 1.444 1.776 3.358 82 HA LYS 13 HA LYS 13 1.606 -0.901 2.235 83 1HB LYS 13 2HB LYS 13 4.171 -0.085 2.258 84 2HB LYS 13 1HB LYS 13 3.040 0.325 0.983 85 1HG LYS 13 2HG LYS 13 2.760 2.487 1.730 86 2HG LYS 13 1HG LYS 13 3.355 2.105 3.350 87 1HD LYS 13 2HD LYS 13 5.008 2.171 0.820 88 2HD LYS 13 1HD LYS 13 4.995 3.411 2.073 89 1HE LYS 13 2HE LYS 13 5.487 0.940 3.350 90 2HE LYS 13 1HE LYS 13 6.531 1.008 1.932 91 1HZ LYS 13 1HZ LYS 13 6.878 3.452 2.911 92 2HZ LYS 13 2HZ LYS 13 7.851 2.137 3.340 93 3HZ LYS 13 3HZ LYS 13 6.583 2.613 4.351 94 H GLU 14 H GLU 14 3.304 0.917 4.815 95 HA GLU 14 HA GLU 14 4.696 -1.112 6.013 96 1HB GLU 14 2HB GLU 14 3.382 1.358 7.064 97 2HB GLU 14 1HB GLU 14 3.971 0.181 8.229 98 1HG GLU 14 2HG GLU 14 6.152 0.333 6.745 99 2HG GLU 14 1HG GLU 14 5.481 1.917 6.359 100 H ALA 15 H ALA 15 1.294 -0.372 6.200 101 HA ALA 15 HA ALA 15 0.758 -2.476 8.131 102 1HB ALA 15 1HB ALA 15 -1.376 -1.636 8.283 103 2HB ALA 15 2HB ALA 15 -1.408 -1.114 6.599 104 3HB ALA 15 3HB ALA 15 -0.491 -0.192 7.791 105 H ALA 16 H ALA 16 0.203 -1.872 4.680 106 HA ALA 16 HA ALA 16 -1.228 -4.241 4.147 107 1HB ALA 16 1HB ALA 16 -1.388 -2.533 2.539 108 2HB ALA 16 2HB ALA 16 -0.472 -3.822 1.758 109 3HB ALA 16 3HB ALA 16 0.364 -2.400 2.383 110 H ILE 17 H ILE 17 2.168 -3.614 4.532 111 HA ILE 17 HA ILE 17 3.009 -6.040 3.231 112 HB ILE 17 HB ILE 17 5.242 -5.528 4.079 113 1HG1 ILE 17 2HG1 ILE 17 3.886 -3.224 5.487 114 2HG1 ILE 17 1HG1 ILE 17 4.648 -4.608 6.262 115 1HG2 ILE 17 1HG2 ILE 17 5.649 -3.726 2.676 116 2HG2 ILE 17 2HG2 ILE 17 4.133 -2.931 3.092 117 3HG2 ILE 17 3HG2 ILE 17 4.123 -4.361 2.062 118 1HD1 ILE 17 1HD1 ILE 17 6.810 -3.910 5.488 119 2HD1 ILE 17 2HD1 ILE 17 6.025 -2.561 6.310 120 3HD1 ILE 17 3HD1 ILE 17 6.093 -2.602 4.547 121 H LYS 18 H LYS 18 2.240 -4.998 6.479 122 HA LYS 18 HA LYS 18 3.366 -7.079 7.957 123 1HB LYS 18 2HB LYS 18 1.572 -4.943 8.428 124 2HB LYS 18 1HB LYS 18 0.778 -6.397 9.016 125 1HG LYS 18 2HG LYS 18 3.608 -6.043 9.783 126 2HG LYS 18 1HG LYS 18 2.442 -4.928 10.501 127 1HD LYS 18 2HD LYS 18 1.082 -6.926 11.170 128 2HD LYS 18 1HD LYS 18 2.422 -7.939 10.632 129 1HE LYS 18 2HE LYS 18 3.670 -6.118 12.256 130 2HE LYS 18 1HE LYS 18 2.122 -6.350 13.067 131 1HZ LYS 18 1HZ LYS 18 4.336 -8.187 12.750 132 2HZ LYS 18 2HZ LYS 18 2.809 -8.872 12.505 133 3HZ LYS 18 3HZ LYS 18 3.164 -8.101 13.967 134 H GLU 19 H GLU 19 0.471 -6.941 6.007 135 HA GLU 19 HA GLU 19 -0.534 -9.487 6.882 136 1HB GLU 19 2HB GLU 19 -1.485 -7.324 5.292 137 2HB GLU 19 1HB GLU 19 -1.561 -8.778 4.305 138 1HG GLU 19 2HG GLU 19 -3.598 -8.893 5.289 139 2HG GLU 19 1HG GLU 19 -2.657 -9.772 6.493 140 H LEU 20 H LEU 20 1.433 -8.275 4.246 141 HA LEU 20 HA LEU 20 1.462 -10.608 2.676 142 1HB LEU 20 2HB LEU 20 2.519 -8.091 2.454 143 2HB LEU 20 1HB LEU 20 3.956 -9.067 2.699 144 HG LEU 20 HG LEU 20 2.336 -10.396 0.791 145 1HD1 LEU 20 1HD1 LEU 20 2.494 -8.563 -0.993 146 2HD1 LEU 20 2HD1 LEU 20 2.580 -7.444 0.367 147 3HD1 LEU 20 3HD1 LEU 20 1.169 -8.483 0.167 148 1HD2 LEU 20 1HD2 LEU 20 5.033 -9.577 1.173 149 2HD2 LEU 20 2HD2 LEU 20 4.530 -9.155 -0.459 150 3HD2 LEU 20 3HD2 LEU 20 4.391 -10.818 0.098 151 H LYS 21 H LYS 21 3.281 -9.610 5.493 152 HA LYS 21 HA LYS 21 5.110 -11.844 5.340 153 1HB LYS 21 2HB LYS 21 5.962 -11.027 7.488 154 2HB LYS 21 1HB LYS 21 5.862 -9.723 6.315 155 1HG LYS 21 2HG LYS 21 3.929 -8.824 7.351 156 2HG LYS 21 1HG LYS 21 3.740 -10.247 8.378 157 1HD LYS 21 2HD LYS 21 6.280 -9.434 8.984 158 2HD LYS 21 1HD LYS 21 5.457 -7.898 8.708 159 1HE LYS 21 2HE LYS 21 4.661 -8.050 10.779 160 2HE LYS 21 1HE LYS 21 3.675 -9.404 10.231 161 1HZ LYS 21 1HZ LYS 21 5.461 -10.908 10.836 162 2HZ LYS 21 2HZ LYS 21 4.987 -9.987 12.172 163 3HZ LYS 21 3HZ LYS 21 6.417 -9.611 11.352 164 H GLN 22 H GLN 22 2.177 -10.941 7.032 165 HA GLN 22 HA GLN 22 2.160 -13.177 8.812 166 1HB GLN 22 2HB GLN 22 0.899 -11.041 9.183 167 2HB GLN 22 1HB GLN 22 -0.190 -11.514 7.887 168 1HG GLN 22 2HG GLN 22 0.083 -13.616 9.844 169 2HG GLN 22 1HG GLN 22 -0.435 -12.103 10.587 170 1HE2 GLN 22 1HE2 GLN 22 -1.840 -14.672 10.074 171 2HE2 GLN 22 2HE2 GLN 22 -3.274 -14.234 9.214 172 H TYR 23 H TYR 23 1.129 -12.595 5.548 173 HA TYR 23 HA TYR 23 -0.462 -15.004 5.370 174 1HB TYR 23 2HB TYR 23 0.191 -12.719 3.590 175 2HB TYR 23 1HB TYR 23 -0.163 -14.255 2.800 176 HD1 TYR 23 1HD TYR 23 -1.563 -11.287 3.960 177 HD2 TYR 23 2HD TYR 23 -2.336 -15.463 3.764 178 HE1 TYR 23 1HE TYR 23 -3.964 -10.846 4.192 179 HE2 TYR 23 2HE TYR 23 -4.742 -15.035 3.994 180 HH TYR 23 HH TYR 23 -6.093 -12.692 5.168 181 H GLY 24 H GLY 24 2.664 -13.822 4.199 182 1HA GLY 24 2HA GLY 24 4.554 -15.324 4.149 183 2HA GLY 24 1HA GLY 24 3.447 -16.630 3.759 184 H ILE 25 H ILE 25 2.449 -14.040 1.963 185 HA ILE 25 HA ILE 25 3.044 -15.118 -0.500 186 HB ILE 25 HB ILE 25 3.126 -12.190 -0.614 187 1HG1 ILE 25 2HG1 ILE 25 0.776 -13.547 0.734 188 2HG1 ILE 25 1HG1 ILE 25 1.820 -12.313 1.433 189 1HG2 ILE 25 1HG2 ILE 25 1.646 -14.453 -1.852 190 2HG2 ILE 25 2HG2 ILE 25 2.575 -13.160 -2.608 191 3HG2 ILE 25 3HG2 ILE 25 0.963 -12.832 -1.972 192 1HD1 ILE 25 1HD1 ILE 25 -0.237 -12.016 -0.722 193 2HD1 ILE 25 2HD1 ILE 25 1.016 -10.808 -0.455 194 3HD1 ILE 25 3HD1 ILE 25 -0.130 -11.185 0.831 195 H GLY 26 H GLY 26 4.459 -13.939 -2.256 196 1HA GLY 26 2HA GLY 26 7.162 -14.302 -1.462 197 2HA GLY 26 1HA GLY 26 6.608 -13.710 -3.025 198 H ASP 27 H ASP 27 8.833 -12.860 -1.235 199 HA ASP 27 HA ASP 27 8.276 -10.404 -0.026 200 1HB ASP 27 2HB ASP 27 10.697 -9.966 -0.202 201 2HB ASP 27 1HB ASP 27 10.372 -11.602 0.363 202 H TYR 28 H TYR 28 8.548 -11.275 -3.334 203 HA TYR 28 HA TYR 28 9.361 -9.003 -4.643 204 1HB TYR 28 2HB TYR 28 8.320 -11.330 -5.472 205 2HB TYR 28 1HB TYR 28 6.886 -10.321 -5.651 206 HD1 TYR 28 1HD TYR 28 10.513 -9.701 -6.272 207 HD2 TYR 28 2HD TYR 28 6.570 -9.770 -7.859 208 HE1 TYR 28 1HE TYR 28 11.361 -8.821 -8.397 209 HE2 TYR 28 2HE TYR 28 7.406 -8.893 -9.994 210 HH TYR 28 HH TYR 28 9.457 -8.746 -11.252 211 H TYR 29 H TYR 29 6.161 -9.752 -3.412 212 HA TYR 29 HA TYR 29 4.951 -7.349 -4.302 213 1HB TYR 29 2HB TYR 29 3.897 -9.235 -2.198 214 2HB TYR 29 1HB TYR 29 2.973 -8.182 -3.266 215 HD1 TYR 29 1HD TYR 29 4.720 -8.735 -5.756 216 HD2 TYR 29 2HD TYR 29 2.831 -11.293 -2.912 217 HE1 TYR 29 1HE TYR 29 4.649 -10.545 -7.424 218 HE2 TYR 29 2HE TYR 29 2.745 -13.097 -4.583 219 HH TYR 29 HH TYR 29 3.372 -12.578 -7.887 220 H ILE 30 H ILE 30 6.028 -8.364 -1.030 221 HA ILE 30 HA ILE 30 5.130 -6.073 0.304 222 HB ILE 30 HB ILE 30 5.978 -7.938 1.554 223 1HG1 ILE 30 2HG1 ILE 30 6.245 -5.590 2.469 224 2HG1 ILE 30 1HG1 ILE 30 7.249 -6.823 3.215 225 1HG2 ILE 30 1HG2 ILE 30 7.590 -8.777 0.021 226 2HG2 ILE 30 2HG2 ILE 30 8.378 -8.499 1.574 227 3HG2 ILE 30 3HG2 ILE 30 8.614 -7.361 0.245 228 1HD1 ILE 30 1HD1 ILE 30 8.002 -4.393 1.908 229 2HD1 ILE 30 2HD1 ILE 30 8.774 -5.772 1.130 230 3HD1 ILE 30 3HD1 ILE 30 8.984 -5.504 2.860 231 H LYS 31 H LYS 31 7.751 -6.632 -1.865 232 HA LYS 31 HA LYS 31 9.057 -4.099 -1.367 233 1HB LYS 31 2HB LYS 31 9.616 -6.552 -2.879 234 2HB LYS 31 1HB LYS 31 10.156 -5.079 -3.671 235 1HG LYS 31 2HG LYS 31 12.018 -5.497 -2.463 236 2HG LYS 31 1HG LYS 31 11.123 -4.602 -1.234 237 1HD LYS 31 2HD LYS 31 10.226 -7.191 -0.913 238 2HD LYS 31 1HD LYS 31 11.938 -7.398 -1.287 239 1HE LYS 31 2HE LYS 31 11.473 -5.245 0.606 240 2HE LYS 31 1HE LYS 31 10.852 -6.790 1.185 241 1HZ LYS 31 1HZ LYS 31 13.625 -6.236 0.278 242 2HZ LYS 31 2HZ LYS 31 13.046 -7.761 0.725 243 3HZ LYS 31 3HZ LYS 31 13.124 -6.517 1.869 244 H LEU 32 H LEU 32 7.307 -5.643 -4.064 245 HA LEU 32 HA LEU 32 7.383 -3.537 -5.837 246 1HB LEU 32 2HB LEU 32 6.144 -4.896 -7.123 247 2HB LEU 32 1HB LEU 32 6.273 -6.035 -5.807 248 HG LEU 32 HG LEU 32 4.011 -6.004 -6.409 249 1HD1 LEU 32 1HD1 LEU 32 4.935 -5.079 -3.930 250 2HD1 LEU 32 2HD1 LEU 32 3.457 -5.989 -4.274 251 3HD1 LEU 32 3HD1 LEU 32 3.431 -4.223 -4.275 252 1HD2 LEU 32 1HD2 LEU 32 4.454 -3.524 -7.417 253 2HD2 LEU 32 2HD2 LEU 32 3.515 -3.141 -5.975 254 3HD2 LEU 32 3HD2 LEU 32 2.856 -4.235 -7.190 255 H ILE 33 H ILE 33 5.768 -3.723 -2.858 256 HA ILE 33 HA ILE 33 3.729 -1.761 -3.378 257 HB ILE 33 HB ILE 33 4.755 -3.151 -0.916 258 1HG1 ILE 33 2HG1 ILE 33 2.176 -3.111 -2.471 259 2HG1 ILE 33 1HG1 ILE 33 3.244 -4.475 -2.161 260 1HG2 ILE 33 1HG2 ILE 33 2.477 -1.676 -0.176 261 2HG2 ILE 33 2HG2 ILE 33 3.573 -0.541 -0.955 262 3HG2 ILE 33 3HG2 ILE 33 4.125 -1.497 0.418 263 1HD1 ILE 33 1HD1 ILE 33 0.933 -3.806 -0.791 264 2HD1 ILE 33 2HD1 ILE 33 2.241 -3.363 0.305 265 3HD1 ILE 33 3HD1 ILE 33 2.135 -5.007 -0.324 266 H ASN 34 H ASN 34 6.664 -1.819 -1.347 267 HA ASN 34 HA ASN 34 6.718 0.826 -0.589 268 1HB ASN 34 2HB ASN 34 8.334 -1.265 -0.134 269 2HB ASN 34 1HB ASN 34 9.335 -0.392 -1.291 270 1HD2 ASN 34 1HD2 ASN 34 9.693 1.923 -0.813 271 2HD2 ASN 34 2HD2 ASN 34 9.895 2.384 0.840 272 H ASN 35 H ASN 35 7.353 -0.493 -3.727 273 HA ASN 35 HA ASN 35 8.894 1.705 -4.708 274 1HB ASN 35 2HB ASN 35 7.560 -0.671 -5.954 275 2HB ASN 35 1HB ASN 35 8.167 0.628 -6.976 276 1HD2 ASN 35 1HD2 ASN 35 10.320 0.833 -7.305 277 2HD2 ASN 35 2HD2 ASN 35 11.501 -0.262 -6.682 278 H ALA 36 H ALA 36 5.512 1.152 -4.288 279 HA ALA 36 HA ALA 36 4.444 2.717 -6.334 280 1HB ALA 36 1HB ALA 36 3.500 1.595 -3.830 281 2HB ALA 36 2HB ALA 36 2.669 1.783 -5.373 282 3HB ALA 36 3HB ALA 36 2.720 3.124 -4.229 283 H LYS 37 H LYS 37 3.685 4.868 -6.387 284 HA LYS 37 HA LYS 37 5.301 6.692 -4.773 285 1HB LYS 37 2HB LYS 37 4.847 8.376 -6.456 286 2HB LYS 37 1HB LYS 37 5.415 6.901 -7.238 287 1HG LYS 37 2HG LYS 37 2.482 7.346 -6.965 288 2HG LYS 37 1HG LYS 37 3.375 8.237 -8.188 289 1HD LYS 37 2HD LYS 37 3.445 6.466 -9.520 290 2HD LYS 37 1HD LYS 37 4.165 5.485 -8.243 291 1HE LYS 37 2HE LYS 37 1.845 5.188 -7.315 292 2HE LYS 37 1HE LYS 37 1.239 5.945 -8.787 293 1HZ LYS 37 1HZ LYS 37 1.576 3.328 -8.524 294 2HZ LYS 37 2HZ LYS 37 3.090 3.736 -9.156 295 3HZ LYS 37 3HZ LYS 37 1.686 4.125 -10.012 296 H THR 38 H THR 38 2.002 5.836 -5.483 297 HA THR 38 HA THR 38 0.993 7.991 -3.777 298 HB THR 38 HB THR 38 -1.163 7.555 -4.695 299 HG1 THR 38 1HG THR 38 -1.736 5.656 -5.360 300 1HG2 THR 38 1HG2 THR 38 0.771 8.412 -6.307 301 2HG2 THR 38 2HG2 THR 38 -0.890 8.174 -6.844 302 3HG2 THR 38 3HG2 THR 38 0.325 6.939 -7.167 303 H VAL 39 H VAL 39 -1.427 6.452 -3.057 304 HA VAL 39 HA VAL 39 -0.249 4.395 -1.346 305 HB VAL 39 HB VAL 39 -0.667 6.701 -0.194 306 1HG1 VAL 39 1HG1 VAL 39 -2.804 6.880 0.872 307 2HG1 VAL 39 2HG1 VAL 39 -3.354 5.393 0.098 308 3HG1 VAL 39 3HG1 VAL 39 -3.039 6.829 -0.877 309 1HG2 VAL 39 1HG2 VAL 39 -1.124 3.924 0.739 310 2HG2 VAL 39 2HG2 VAL 39 -1.369 5.257 1.866 311 3HG2 VAL 39 3HG2 VAL 39 0.205 5.021 1.099 312 H GLU 40 H GLU 40 -3.266 5.782 -2.593 313 HA GLU 40 HA GLU 40 -5.059 3.860 -1.796 314 1HB GLU 40 2HB GLU 40 -5.319 6.020 -3.287 315 2HB GLU 40 1HB GLU 40 -5.241 4.859 -4.607 316 1HG GLU 40 2HG GLU 40 -7.299 4.091 -4.222 317 2HG GLU 40 1HG GLU 40 -7.080 4.097 -2.471 318 H GLY 41 H GLY 41 -2.760 3.702 -4.456 319 1HA GLY 41 2HA GLY 41 -3.756 1.146 -5.371 320 2HA GLY 41 1HA GLY 41 -2.334 1.990 -5.970 321 H VAL 42 H VAL 42 -1.326 2.305 -3.179 322 HA VAL 42 HA VAL 42 0.363 0.071 -3.093 323 HB VAL 42 HB VAL 42 -0.292 1.933 -0.815 324 1HG1 VAL 42 1HG1 VAL 42 1.727 -0.184 -1.291 325 2HG1 VAL 42 2HG1 VAL 42 0.890 0.273 0.200 326 3HG1 VAL 42 3HG1 VAL 42 2.230 1.257 -0.404 327 1HG2 VAL 42 1HG2 VAL 42 1.321 3.407 -1.579 328 2HG2 VAL 42 2HG2 VAL 42 0.552 2.900 -3.083 329 3HG2 VAL 42 3HG2 VAL 42 2.091 2.193 -2.594 330 H GLU 43 H GLU 43 -2.296 0.930 -0.883 331 HA GLU 43 HA GLU 43 -2.206 -1.462 0.599 332 1HB GLU 43 2HB GLU 43 -4.708 -0.785 1.055 333 2HB GLU 43 1HB GLU 43 -3.390 0.185 1.698 334 1HG GLU 43 2HG GLU 43 -3.683 1.860 0.103 335 2HG GLU 43 1HG GLU 43 -4.648 0.817 -0.943 336 H SER 44 H SER 44 -4.185 -0.505 -2.175 337 HA SER 44 HA SER 44 -5.638 -2.945 -2.305 338 1HB SER 44 2HB SER 44 -6.691 -2.034 -4.153 339 2HB SER 44 1HB SER 44 -6.116 -0.568 -3.357 340 HG SER 44 HG SER 44 -4.260 -0.700 -4.761 341 H LEU 45 H LEU 45 -2.543 -1.900 -3.424 342 HA LEU 45 HA LEU 45 -2.083 -3.633 -5.558 343 1HB LEU 45 2HB LEU 45 -0.445 -2.090 -3.672 344 2HB LEU 45 1HB LEU 45 0.365 -3.488 -4.341 345 1HD1 LEU 45 1HD1 LEU 45 2.026 -1.967 -6.163 346 2HD1 LEU 45 2HD1 LEU 45 1.027 -2.481 -7.523 347 3HD1 LEU 45 3HD1 LEU 45 1.277 -3.565 -6.155 348 1HD2 LEU 45 1HD2 LEU 45 -1.107 -0.980 -7.371 349 2HD2 LEU 45 2HD2 LEU 45 -2.165 -1.761 -6.198 350 3HD2 LEU 45 3HD2 LEU 45 -1.273 -2.735 -7.364 351 H LYS 46 H LYS 46 -1.088 -4.145 -2.158 352 HA LYS 46 HA LYS 46 -0.399 -6.869 -2.612 353 1HB LYS 46 2HB LYS 46 0.727 -6.250 -0.765 354 2HB LYS 46 1HB LYS 46 -0.434 -5.008 -0.333 355 1HG LYS 46 2HG LYS 46 -1.097 -7.891 0.120 356 2HG LYS 46 1HG LYS 46 -0.026 -7.037 1.236 357 1HD LYS 46 2HD LYS 46 -1.813 -5.270 1.430 358 2HD LYS 46 1HD LYS 46 -2.878 -6.356 0.545 359 1HE LYS 46 2HE LYS 46 -3.048 -7.833 2.273 360 2HE LYS 46 1HE LYS 46 -1.456 -7.431 2.915 361 1HZ LYS 46 1HZ LYS 46 -3.823 -6.587 3.928 362 2HZ LYS 46 2HZ LYS 46 -3.314 -5.244 3.035 363 3HZ LYS 46 3HZ LYS 46 -2.318 -5.881 4.244 364 H ASN 47 H ASN 47 -3.241 -5.306 -1.129 365 HA ASN 47 HA ASN 47 -4.578 -7.664 -0.423 366 1HB ASN 47 2HB ASN 47 -5.125 -5.010 -0.137 367 2HB ASN 47 1HB ASN 47 -6.289 -5.446 -1.385 368 1HD2 ASN 47 1HD2 ASN 47 -5.022 -6.967 1.565 369 2HD2 ASN 47 2HD2 ASN 47 -6.568 -7.355 2.230 370 H GLU 48 H GLU 48 -4.168 -6.100 -3.494 371 HA GLU 48 HA GLU 48 -6.252 -7.569 -4.831 372 1HB GLU 48 2HB GLU 48 -4.036 -5.753 -5.716 373 2HB GLU 48 1HB GLU 48 -4.848 -6.765 -6.901 374 1HG GLU 48 2HG GLU 48 -6.913 -5.711 -6.552 375 2HG GLU 48 1HG GLU 48 -6.364 -4.950 -5.059 376 H ILE 49 H ILE 49 -2.767 -7.808 -4.440 377 HA ILE 49 HA ILE 49 -2.318 -9.983 -6.172 378 HB ILE 49 HB ILE 49 -0.197 -10.238 -5.149 379 1HG1 ILE 49 2HG1 ILE 49 -0.763 -8.495 -2.811 380 2HG1 ILE 49 1HG1 ILE 49 -1.347 -10.144 -2.741 381 1HG2 ILE 49 1HG2 ILE 49 -0.132 -7.454 -4.491 382 2HG2 ILE 49 2HG2 ILE 49 -1.143 -7.725 -5.911 383 3HG2 ILE 49 3HG2 ILE 49 0.527 -8.290 -5.897 384 1HD1 ILE 49 1HD1 ILE 49 0.953 -9.528 -1.779 385 2HD1 ILE 49 2HD1 ILE 49 1.475 -9.579 -3.462 386 3HD1 ILE 49 3HD1 ILE 49 0.769 -11.014 -2.714 387 H LEU 50 H LEU 50 -3.568 -9.713 -2.972 388 HA LEU 50 HA LEU 50 -3.370 -12.522 -2.366 389 1HB LEU 50 2HB LEU 50 -4.692 -10.193 -0.975 390 2HB LEU 50 1HB LEU 50 -4.709 -11.829 -0.340 391 HG LEU 50 HG LEU 50 -2.038 -10.774 -0.993 392 1HD1 LEU 50 1HD1 LEU 50 -1.936 -9.460 1.103 393 2HD1 LEU 50 2HD1 LEU 50 -3.690 -9.596 1.227 394 3HD1 LEU 50 3HD1 LEU 50 -2.966 -8.745 -0.137 395 1HD2 LEU 50 1HD2 LEU 50 -3.336 -12.565 0.953 396 2HD2 LEU 50 2HD2 LEU 50 -1.933 -11.672 1.540 397 3HD2 LEU 50 3HD2 LEU 50 -1.785 -12.716 0.126 398 H LYS 51 H LYS 51 -5.738 -10.271 -3.596 399 HA LYS 51 HA LYS 51 -8.082 -11.716 -3.245 400 1HB LYS 51 2HB LYS 51 -7.638 -9.359 -4.307 401 2HB LYS 51 1HB LYS 51 -7.569 -10.260 -5.815 402 1HG LYS 51 2HG LYS 51 -9.827 -11.154 -5.333 403 2HG LYS 51 1HG LYS 51 -9.888 -10.126 -3.900 404 1HD LYS 51 2HD LYS 51 -10.737 -8.532 -5.206 405 2HD LYS 51 1HD LYS 51 -9.144 -8.408 -5.955 406 1HE LYS 51 2HE LYS 51 -11.261 -10.347 -6.865 407 2HE LYS 51 1HE LYS 51 -11.071 -8.730 -7.540 408 1HZ LYS 51 1HZ LYS 51 -8.703 -10.435 -7.445 409 2HZ LYS 51 2HZ LYS 51 -9.165 -9.291 -8.602 410 3HZ LYS 51 3HZ LYS 51 -9.891 -10.819 -8.588 411 H ALA 52 H ALA 52 -5.385 -12.278 -5.339 412 HA ALA 52 HA ALA 52 -6.765 -14.629 -6.426 413 1HB ALA 52 1HB ALA 52 -5.369 -14.281 -8.515 414 2HB ALA 52 2HB ALA 52 -5.036 -12.661 -7.898 415 3HB ALA 52 3HB ALA 52 -6.695 -13.147 -8.257 416 H LEU 53 H LEU 53 -5.272 -14.804 -4.141 417 HA LEU 53 HA LEU 53 -2.605 -15.704 -4.870 418 1HB LEU 53 2HB LEU 53 -3.450 -14.460 -2.670 419 2HB LEU 53 1HB LEU 53 -3.685 -16.111 -2.133 420 HG LEU 53 HG LEU 53 -1.085 -15.900 -3.306 421 1HD1 LEU 53 1HD1 LEU 53 -0.358 -14.353 -1.246 422 2HD1 LEU 53 2HD1 LEU 53 -1.914 -13.617 -1.630 423 3HD1 LEU 53 3HD1 LEU 53 -0.663 -13.726 -2.867 424 1HD2 LEU 53 1HD2 LEU 53 -2.104 -17.436 -1.483 425 2HD2 LEU 53 2HD2 LEU 53 -1.631 -16.148 -0.376 426 3HD2 LEU 53 3HD2 LEU 53 -0.412 -16.956 -1.361 427 HA PRO 54 HA PRO 54 -4.778 -19.792 -3.059 428 1HB PRO 54 2HB PRO 54 -7.441 -19.167 -4.249 429 2HB PRO 54 1HB PRO 54 -7.049 -20.053 -2.771 430 1HG PRO 54 2HG PRO 54 -7.959 -17.558 -2.646 431 2HG PRO 54 1HG PRO 54 -6.682 -18.115 -1.548 432 1HD PRO 54 2HD PRO 54 -6.484 -16.366 -3.957 433 2HD PRO 54 1HD PRO 54 -5.567 -16.307 -2.439 434 H THR 55 H THR 55 -3.464 -20.712 -4.608 435 HA THR 55 HA THR 55 -4.802 -21.555 -7.044 436 HB THR 55 HB THR 55 -2.045 -20.410 -7.340 437 HG1 THR 55 1HG THR 55 -3.292 -18.715 -6.523 438 1HG2 THR 55 1HG2 THR 55 -4.322 -20.612 -9.293 439 2HG2 THR 55 2HG2 THR 55 -2.987 -21.758 -9.172 440 3HG2 THR 55 3HG2 THR 55 -2.674 -20.085 -9.633 441 H GLU 56 H GLU 56 -3.960 -22.879 -4.635 442 HA GLU 56 HA GLU 56 -1.810 -24.612 -5.659 443 1HB GLU 56 2HB GLU 56 -1.819 -23.312 -3.298 444 2HB GLU 56 1HB GLU 56 -2.616 -24.802 -2.814 445 1HG GLU 56 2HG GLU 56 -0.743 -26.109 -3.549 446 2HG GLU 56 1HG GLU 56 0.038 -24.680 -4.226 Start of MODEL 4 1 1H MET 1 1HT MET 1 -1.775 22.629 10.352 2 2H MET 1 2HT MET 1 -0.511 23.367 9.470 3 3H MET 1 3HT MET 1 -0.149 22.166 10.635 4 HA MET 1 HA MET 1 -1.454 20.591 9.310 5 1HB MET 1 2HB MET 1 -1.224 22.728 7.185 6 2HB MET 1 1HB MET 1 -2.067 21.187 7.069 7 1HG MET 1 2HG MET 1 -3.811 22.623 7.399 8 2HG MET 1 1HG MET 1 -3.474 22.130 9.050 9 1HE MET 1 1HE MET 1 -3.285 26.173 7.141 10 2HE MET 1 2HE MET 1 -3.464 24.596 6.371 11 3HE MET 1 3HE MET 1 -1.855 25.250 6.667 12 H GLU 2 H GLU 2 0.712 22.842 7.593 13 HA GLU 2 HA GLU 2 2.785 22.580 6.693 14 1HB GLU 2 2HB GLU 2 2.819 20.964 9.145 15 2HB GLU 2 1HB GLU 2 4.007 20.461 7.947 16 1HG GLU 2 2HG GLU 2 3.918 23.354 8.348 17 2HG GLU 2 1HG GLU 2 4.331 22.449 9.803 18 H ALA 3 H ALA 3 2.414 19.162 7.527 19 HA ALA 3 HA ALA 3 1.343 18.183 5.182 20 1HB ALA 3 1HB ALA 3 4.209 18.878 4.949 21 2HB ALA 3 2HB ALA 3 2.951 18.811 3.714 22 3HB ALA 3 3HB ALA 3 3.711 17.326 4.281 23 H VAL 4 H VAL 4 1.379 15.899 5.062 24 HA VAL 4 HA VAL 4 3.032 14.257 6.640 25 HB VAL 4 HB VAL 4 1.721 15.317 8.466 26 1HG1 VAL 4 1HG1 VAL 4 -0.515 15.365 8.530 27 2HG1 VAL 4 2HG1 VAL 4 -0.657 13.701 7.948 28 3HG1 VAL 4 3HG1 VAL 4 -0.415 15.024 6.808 29 1HG2 VAL 4 1HG2 VAL 4 2.704 12.948 8.477 30 2HG2 VAL 4 2HG2 VAL 4 1.033 12.408 8.328 31 3HG2 VAL 4 3HG2 VAL 4 1.532 13.361 9.717 32 H ASP 5 H ASP 5 1.985 14.348 3.993 33 HA ASP 5 HA ASP 5 -0.072 12.366 3.738 34 1HB ASP 5 2HB ASP 5 0.500 14.303 2.116 35 2HB ASP 5 1HB ASP 5 1.738 13.218 1.497 36 H ALA 6 H ALA 6 3.429 12.430 3.576 37 HA ALA 6 HA ALA 6 3.789 9.857 2.450 38 1HB ALA 6 1HB ALA 6 5.487 11.897 3.722 39 2HB ALA 6 2HB ALA 6 5.766 10.912 2.282 40 3HB ALA 6 3HB ALA 6 6.065 10.238 3.882 41 H ASN 7 H ASN 7 3.407 11.006 5.759 42 HA ASN 7 HA ASN 7 4.158 8.632 7.074 43 1HB ASN 7 2HB ASN 7 2.707 11.111 7.792 44 2HB ASN 7 1HB ASN 7 2.363 9.703 8.796 45 1HD2 ASN 7 1HD2 ASN 7 4.692 8.426 8.992 46 2HD2 ASN 7 2HD2 ASN 7 5.890 9.426 9.739 47 H SER 8 H SER 8 0.983 9.850 6.044 48 HA SER 8 HA SER 8 -0.454 7.570 6.945 49 1HB SER 8 2HB SER 8 -1.046 10.033 5.479 50 2HB SER 8 1HB SER 8 -2.003 8.665 4.934 51 HG SER 8 HG SER 8 -1.822 9.735 7.540 52 H LEU 9 H LEU 9 1.199 8.427 4.005 53 HA LEU 9 HA LEU 9 0.124 6.385 2.352 54 1HB LEU 9 2HB LEU 9 1.264 8.486 1.579 55 2HB LEU 9 1HB LEU 9 2.785 7.783 2.090 56 HG LEU 9 HG LEU 9 1.000 6.544 0.005 57 1HD1 LEU 9 1HD1 LEU 9 2.622 7.419 -1.626 58 2HD1 LEU 9 2HD1 LEU 9 3.384 8.330 -0.327 59 3HD1 LEU 9 3HD1 LEU 9 1.723 8.687 -0.796 60 1HD2 LEU 9 1HD2 LEU 9 3.533 5.808 1.283 61 2HD2 LEU 9 2HD2 LEU 9 3.516 5.680 -0.475 62 3HD2 LEU 9 3HD2 LEU 9 2.326 4.800 0.483 63 H ALA 10 H ALA 10 3.092 6.708 4.262 64 HA ALA 10 HA ALA 10 4.274 4.269 3.543 65 1HB ALA 10 1HB ALA 10 5.364 4.661 5.938 66 2HB ALA 10 2HB ALA 10 4.670 6.262 5.690 67 3HB ALA 10 3HB ALA 10 5.814 5.607 4.520 68 H GLN 11 H GLN 11 1.613 4.891 5.619 69 HA GLN 11 HA GLN 11 1.937 2.500 7.200 70 1HB GLN 11 2HB GLN 11 0.909 4.342 8.307 71 2HB GLN 11 1HB GLN 11 -0.245 4.566 6.997 72 1HG GLN 11 2HG GLN 11 -1.203 2.370 7.530 73 2HG GLN 11 1HG GLN 11 -0.128 2.259 8.919 74 1HE2 GLN 11 1HE2 GLN 11 -2.441 4.537 7.475 75 2HE2 GLN 11 2HE2 GLN 11 -3.175 5.003 8.965 76 H ALA 12 H ALA 12 -0.111 3.586 4.522 77 HA ALA 12 HA ALA 12 -1.839 1.442 4.342 78 1HB ALA 12 1HB ALA 12 -1.470 3.617 2.858 79 2HB ALA 12 2HB ALA 12 -2.374 2.217 2.274 80 3HB ALA 12 3HB ALA 12 -0.685 2.437 1.805 81 H LYS 13 H LYS 13 1.496 1.729 3.323 82 HA LYS 13 HA LYS 13 1.538 -0.955 2.203 83 1HB LYS 13 2HB LYS 13 4.114 -0.286 2.133 84 2HB LYS 13 1HB LYS 13 2.969 0.267 0.929 85 1HG LYS 13 2HG LYS 13 2.920 2.408 1.740 86 2HG LYS 13 1HG LYS 13 3.474 1.917 3.347 87 1HD LYS 13 2HD LYS 13 5.667 1.931 2.733 88 2HD LYS 13 1HD LYS 13 5.313 1.395 1.088 89 1HE LYS 13 2HE LYS 13 5.324 3.482 0.315 90 2HE LYS 13 1HE LYS 13 4.252 4.036 1.600 91 1HZ LYS 13 1HZ LYS 13 6.404 3.890 3.018 92 2HZ LYS 13 2HZ LYS 13 6.145 5.231 2.020 93 3HZ LYS 13 3HZ LYS 13 7.188 3.997 1.523 94 H GLU 14 H GLU 14 3.222 0.813 4.817 95 HA GLU 14 HA GLU 14 4.609 -1.269 5.967 96 1HB GLU 14 2HB GLU 14 3.423 1.262 6.981 97 2HB GLU 14 1HB GLU 14 3.833 0.056 8.194 98 1HG GLU 14 2HG GLU 14 5.609 1.747 7.739 99 2HG GLU 14 1HG GLU 14 6.117 0.068 7.568 100 H ALA 15 H ALA 15 1.239 -0.422 6.163 101 HA ALA 15 HA ALA 15 0.614 -2.536 8.056 102 1HB ALA 15 1HB ALA 15 -1.480 -1.610 8.218 103 2HB ALA 15 2HB ALA 15 -1.492 -1.073 6.539 104 3HB ALA 15 3HB ALA 15 -0.540 -0.196 7.739 105 H ALA 16 H ALA 16 0.040 -1.842 4.614 106 HA ALA 16 HA ALA 16 -1.462 -4.147 4.035 107 1HB ALA 16 1HB ALA 16 -1.538 -2.411 2.448 108 2HB ALA 16 2HB ALA 16 -0.675 -3.730 1.656 109 3HB ALA 16 3HB ALA 16 0.219 -2.354 2.302 110 H ILE 17 H ILE 17 1.953 -3.673 4.451 111 HA ILE 17 HA ILE 17 2.668 -6.142 3.140 112 HB ILE 17 HB ILE 17 4.938 -5.692 3.822 113 1HG1 ILE 17 2HG1 ILE 17 3.781 -3.407 5.437 114 2HG1 ILE 17 1HG1 ILE 17 4.513 -4.868 6.093 115 1HG2 ILE 17 1HG2 ILE 17 3.306 -3.546 2.592 116 2HG2 ILE 17 2HG2 ILE 17 4.618 -4.506 1.911 117 3HG2 ILE 17 3HG2 ILE 17 4.979 -3.165 2.997 118 1HD1 ILE 17 1HD1 ILE 17 5.919 -2.744 6.040 119 2HD1 ILE 17 2HD1 ILE 17 6.042 -3.017 4.302 120 3HD1 ILE 17 3HD1 ILE 17 6.654 -4.226 5.431 121 H LYS 18 H LYS 18 1.940 -5.032 6.361 122 HA LYS 18 HA LYS 18 3.048 -7.042 7.921 123 1HB LYS 18 2HB LYS 18 1.746 -4.957 8.653 124 2HB LYS 18 1HB LYS 18 0.293 -5.911 8.394 125 1HG LYS 18 2HG LYS 18 0.512 -6.519 10.524 126 2HG LYS 18 1HG LYS 18 1.811 -7.570 9.957 127 1HD LYS 18 2HD LYS 18 3.356 -5.574 10.289 128 2HD LYS 18 1HD LYS 18 2.024 -4.829 11.177 129 1HE LYS 18 2HE LYS 18 1.998 -7.025 12.530 130 2HE LYS 18 1HE LYS 18 3.605 -7.284 11.853 131 1HZ LYS 18 1HZ LYS 18 2.801 -4.868 13.379 132 2HZ LYS 18 2HZ LYS 18 4.357 -5.251 12.838 133 3HZ LYS 18 3HZ LYS 18 3.628 -6.186 14.043 134 H GLU 19 H GLU 19 0.113 -7.010 5.992 135 HA GLU 19 HA GLU 19 -0.762 -9.611 6.828 136 1HB GLU 19 2HB GLU 19 -1.770 -7.475 5.197 137 2HB GLU 19 1HB GLU 19 -1.848 -8.970 4.277 138 1HG GLU 19 2HG GLU 19 -3.784 -9.320 5.307 139 2HG GLU 19 1HG GLU 19 -2.823 -9.718 6.730 140 H LEU 20 H LEU 20 1.149 -8.269 4.230 141 HA LEU 20 HA LEU 20 1.313 -10.539 2.587 142 1HB LEU 20 2HB LEU 20 2.141 -8.019 2.330 143 2HB LEU 20 1HB LEU 20 3.657 -8.728 2.849 144 HG LEU 20 HG LEU 20 2.674 -10.410 0.819 145 1HD1 LEU 20 1HD1 LEU 20 2.566 -7.510 -0.001 146 2HD1 LEU 20 2HD1 LEU 20 1.169 -8.572 0.170 147 3HD1 LEU 20 3HD1 LEU 20 2.384 -8.906 -1.061 148 1HD2 LEU 20 1HD2 LEU 20 5.026 -9.820 1.444 149 2HD2 LEU 20 2HD2 LEU 20 4.793 -8.300 0.582 150 3HD2 LEU 20 3HD2 LEU 20 4.693 -9.828 -0.288 151 H LYS 21 H LYS 21 3.038 -9.568 5.472 152 HA LYS 21 HA LYS 21 4.939 -11.746 5.262 153 1HB LYS 21 2HB LYS 21 5.842 -10.914 7.365 154 2HB LYS 21 1HB LYS 21 5.639 -9.590 6.227 155 1HG LYS 21 2HG LYS 21 3.760 -8.757 7.371 156 2HG LYS 21 1HG LYS 21 3.593 -10.229 8.328 157 1HD LYS 21 2HD LYS 21 6.213 -9.062 8.670 158 2HD LYS 21 1HD LYS 21 4.946 -7.893 9.044 159 1HE LYS 21 2HE LYS 21 3.893 -9.715 10.465 160 2HE LYS 21 1HE LYS 21 5.405 -10.600 10.271 161 1HZ LYS 21 1HZ LYS 21 5.431 -7.820 11.247 162 2HZ LYS 21 2HZ LYS 21 6.570 -9.047 11.492 163 3HZ LYS 21 3HZ LYS 21 5.091 -9.089 12.313 164 H GLN 22 H GLN 22 2.008 -10.927 7.012 165 HA GLN 22 HA GLN 22 2.093 -13.141 8.805 166 1HB GLN 22 2HB GLN 22 0.416 -10.893 8.365 167 2HB GLN 22 1HB GLN 22 -0.606 -12.320 8.277 168 1HG GLN 22 2HG GLN 22 1.075 -12.683 10.498 169 2HG GLN 22 1HG GLN 22 0.499 -11.018 10.569 170 1HE2 GLN 22 1HE2 GLN 22 -1.872 -10.743 10.267 171 2HE2 GLN 22 2HE2 GLN 22 -2.912 -11.917 10.991 172 H TYR 23 H TYR 23 0.961 -12.638 5.555 173 HA TYR 23 HA TYR 23 -0.528 -15.099 5.400 174 1HB TYR 23 2HB TYR 23 0.131 -12.850 3.578 175 2HB TYR 23 1HB TYR 23 -0.170 -14.413 2.816 176 HD1 TYR 23 1HD TYR 23 -1.663 -11.446 3.800 177 HD2 TYR 23 2HD TYR 23 -2.344 -15.642 3.809 178 HE1 TYR 23 1HE TYR 23 -4.079 -11.045 3.949 179 HE2 TYR 23 2HE TYR 23 -4.763 -15.256 3.958 180 HH TYR 23 HH TYR 23 -6.338 -13.111 3.204 181 H GLY 24 H GLY 24 2.615 -13.903 4.318 182 1HA GLY 24 2HA GLY 24 4.513 -15.417 4.367 183 2HA GLY 24 1HA GLY 24 3.426 -16.704 3.869 184 H ILE 25 H ILE 25 2.495 -14.085 2.123 185 HA ILE 25 HA ILE 25 3.210 -15.043 -0.349 186 HB ILE 25 HB ILE 25 3.290 -12.125 -0.378 187 1HG1 ILE 25 2HG1 ILE 25 0.954 -13.487 0.983 188 2HG1 ILE 25 1HG1 ILE 25 1.989 -12.232 1.656 189 1HG2 ILE 25 1HG2 ILE 25 1.258 -14.054 -1.482 190 2HG2 ILE 25 2HG2 ILE 25 2.779 -13.646 -2.277 191 3HG2 ILE 25 3HG2 ILE 25 1.561 -12.400 -2.009 192 1HD1 ILE 25 1HD1 ILE 25 1.138 -10.746 -0.216 193 2HD1 ILE 25 2HD1 ILE 25 -0.001 -11.155 1.066 194 3HD1 ILE 25 3HD1 ILE 25 -0.087 -11.983 -0.489 195 H GLY 26 H GLY 26 4.701 -13.853 -1.994 196 1HA GLY 26 2HA GLY 26 7.370 -14.170 -1.041 197 2HA GLY 26 1HA GLY 26 6.893 -13.652 -2.655 198 H ASP 27 H ASP 27 9.076 -12.637 -1.124 199 HA ASP 27 HA ASP 27 8.452 -10.178 0.111 200 1HB ASP 27 2HB ASP 27 10.922 -11.500 -0.884 201 2HB ASP 27 1HB ASP 27 10.987 -9.756 -0.651 202 H TYR 28 H TYR 28 8.703 -11.133 -3.180 203 HA TYR 28 HA TYR 28 9.445 -8.881 -4.562 204 1HB TYR 28 2HB TYR 28 8.434 -11.250 -5.316 205 2HB TYR 28 1HB TYR 28 6.984 -10.267 -5.507 206 HD1 TYR 28 1HD TYR 28 10.599 -9.637 -6.187 207 HD2 TYR 28 2HD TYR 28 6.635 -9.752 -7.716 208 HE1 TYR 28 1HE TYR 28 11.414 -8.800 -8.340 209 HE2 TYR 28 2HE TYR 28 7.438 -8.919 -9.882 210 HH TYR 28 HH TYR 28 9.302 -7.712 -10.816 211 H TYR 29 H TYR 29 6.283 -9.653 -3.248 212 HA TYR 29 HA TYR 29 5.000 -7.315 -4.197 213 1HB TYR 29 2HB TYR 29 4.053 -9.126 -1.980 214 2HB TYR 29 1HB TYR 29 3.071 -8.141 -3.062 215 HD1 TYR 29 1HD TYR 29 3.019 -11.241 -2.574 216 HD2 TYR 29 2HD TYR 29 4.745 -8.755 -5.579 217 HE1 TYR 29 1HE TYR 29 2.925 -13.114 -4.167 218 HE2 TYR 29 2HE TYR 29 4.659 -10.631 -7.173 219 HH TYR 29 HH TYR 29 4.606 -13.185 -7.025 220 H ILE 30 H ILE 30 6.075 -8.194 -0.876 221 HA ILE 30 HA ILE 30 5.223 -5.854 0.374 222 HB ILE 30 HB ILE 30 6.145 -7.666 1.664 223 1HG1 ILE 30 2HG1 ILE 30 6.342 -5.277 2.500 224 2HG1 ILE 30 1HG1 ILE 30 7.403 -6.452 3.266 225 1HG2 ILE 30 1HG2 ILE 30 7.761 -8.496 0.128 226 2HG2 ILE 30 2HG2 ILE 30 8.564 -8.143 1.659 227 3HG2 ILE 30 3HG2 ILE 30 8.738 -7.039 0.292 228 1HD1 ILE 30 1HD1 ILE 30 8.848 -5.410 1.115 229 2HD1 ILE 30 2HD1 ILE 30 9.092 -5.100 2.834 230 3HD1 ILE 30 3HD1 ILE 30 8.054 -4.039 1.884 231 H LYS 31 H LYS 31 7.803 -6.447 -1.840 232 HA LYS 31 HA LYS 31 9.069 -3.872 -1.470 233 1HB LYS 31 2HB LYS 31 9.533 -6.118 -3.425 234 2HB LYS 31 1HB LYS 31 10.490 -4.644 -3.385 235 1HG LYS 31 2HG LYS 31 10.219 -6.464 -1.010 236 2HG LYS 31 1HG LYS 31 11.479 -6.661 -2.230 237 1HD LYS 31 2HD LYS 31 12.708 -5.183 -1.106 238 2HD LYS 31 1HD LYS 31 11.521 -3.947 -1.530 239 1HE LYS 31 2HE LYS 31 10.377 -4.189 0.496 240 2HE LYS 31 1HE LYS 31 11.122 -5.750 0.834 241 1HZ LYS 31 1HZ LYS 31 12.129 -3.072 1.318 242 2HZ LYS 31 2HZ LYS 31 13.269 -4.177 0.735 243 3HZ LYS 31 3HZ LYS 31 12.423 -4.511 2.161 244 H LEU 32 H LEU 32 7.298 -5.560 -4.069 245 HA LEU 32 HA LEU 32 7.277 -3.507 -5.914 246 1HB LEU 32 2HB LEU 32 6.064 -4.949 -7.135 247 2HB LEU 32 1HB LEU 32 6.251 -6.042 -5.787 248 HG LEU 32 HG LEU 32 3.979 -6.099 -6.352 249 1HD1 LEU 32 1HD1 LEU 32 4.911 -5.081 -3.917 250 2HD1 LEU 32 2HD1 LEU 32 3.454 -6.041 -4.211 251 3HD1 LEU 32 3HD1 LEU 32 3.378 -4.276 -4.260 252 1HD2 LEU 32 1HD2 LEU 32 3.377 -3.252 -5.987 253 2HD2 LEU 32 2HD2 LEU 32 2.766 -4.395 -7.181 254 3HD2 LEU 32 3HD2 LEU 32 4.332 -3.621 -7.422 255 H ILE 33 H ILE 33 5.731 -3.672 -2.905 256 HA ILE 33 HA ILE 33 3.604 -1.813 -3.423 257 HB ILE 33 HB ILE 33 4.738 -3.151 -0.988 258 1HG1 ILE 33 2HG1 ILE 33 2.096 -3.117 -2.426 259 2HG1 ILE 33 1HG1 ILE 33 3.186 -4.476 -2.174 260 1HG2 ILE 33 1HG2 ILE 33 2.440 -1.619 -0.257 261 2HG2 ILE 33 2HG2 ILE 33 3.676 -0.542 -0.897 262 3HG2 ILE 33 3HG2 ILE 33 4.053 -1.612 0.449 263 1HD1 ILE 33 1HD1 ILE 33 2.319 -3.423 0.352 264 2HD1 ILE 33 2HD1 ILE 33 2.125 -5.040 -0.322 265 3HD1 ILE 33 3HD1 ILE 33 0.937 -3.787 -0.679 266 H ASN 34 H ASN 34 6.586 -1.689 -1.470 267 HA ASN 34 HA ASN 34 6.538 0.984 -0.795 268 1HB ASN 34 2HB ASN 34 8.130 -0.680 0.111 269 2HB ASN 34 1HB ASN 34 8.994 -0.667 -1.423 270 1HD2 ASN 34 1HD2 ASN 34 10.900 0.134 -0.723 271 2HD2 ASN 34 2HD2 ASN 34 11.102 1.714 -0.055 272 H ASN 35 H ASN 35 7.201 -0.426 -3.884 273 HA ASN 35 HA ASN 35 8.702 1.717 -4.986 274 1HB ASN 35 2HB ASN 35 8.191 -0.802 -5.795 275 2HB ASN 35 1HB ASN 35 7.038 0.071 -6.802 276 1HD2 ASN 35 1HD2 ASN 35 8.259 2.316 -7.488 277 2HD2 ASN 35 2HD2 ASN 35 9.722 2.005 -8.354 278 H ALA 36 H ALA 36 5.284 1.145 -4.580 279 HA ALA 36 HA ALA 36 4.214 2.809 -6.522 280 1HB ALA 36 1HB ALA 36 2.441 1.869 -5.565 281 2HB ALA 36 2HB ALA 36 2.525 3.171 -4.377 282 3HB ALA 36 3HB ALA 36 3.294 1.618 -4.043 283 H LYS 37 H LYS 37 3.436 4.951 -6.482 284 HA LYS 37 HA LYS 37 5.110 6.746 -4.887 285 1HB LYS 37 2HB LYS 37 3.886 6.839 -7.560 286 2HB LYS 37 1HB LYS 37 3.766 8.341 -6.658 287 1HG LYS 37 2HG LYS 37 5.802 8.792 -7.431 288 2HG LYS 37 1HG LYS 37 6.385 7.590 -6.276 289 1HD LYS 37 2HD LYS 37 5.460 6.806 -9.018 290 2HD LYS 37 1HD LYS 37 7.109 7.362 -8.733 291 1HE LYS 37 2HE LYS 37 6.008 5.235 -6.970 292 2HE LYS 37 1HE LYS 37 6.470 4.802 -8.615 293 1HZ LYS 37 1HZ LYS 37 8.613 6.160 -7.888 294 2HZ LYS 37 2HZ LYS 37 8.456 4.500 -7.612 295 3HZ LYS 37 3HZ LYS 37 8.137 5.592 -6.365 296 H THR 38 H THR 38 1.766 5.973 -5.601 297 HA THR 38 HA THR 38 0.795 8.063 -3.814 298 HB THR 38 HB THR 38 -1.383 7.579 -4.652 299 HG1 THR 38 1HG THR 38 -1.777 5.529 -4.859 300 1HG2 THR 38 1HG2 THR 38 -0.355 8.779 -6.347 301 2HG2 THR 38 2HG2 THR 38 -1.032 7.378 -7.177 302 3HG2 THR 38 3HG2 THR 38 0.691 7.433 -6.800 303 H VAL 39 H VAL 39 -1.577 6.418 -3.043 304 HA VAL 39 HA VAL 39 -0.291 4.429 -1.336 305 HB VAL 39 HB VAL 39 -0.703 6.732 -0.187 306 1HG1 VAL 39 1HG1 VAL 39 -3.086 6.860 -0.784 307 2HG1 VAL 39 2HG1 VAL 39 -2.810 6.878 0.960 308 3HG1 VAL 39 3HG1 VAL 39 -3.375 5.405 0.171 309 1HG2 VAL 39 1HG2 VAL 39 0.221 5.079 1.100 310 2HG2 VAL 39 2HG2 VAL 39 -1.097 3.959 0.778 311 3HG2 VAL 39 3HG2 VAL 39 -1.337 5.293 1.903 312 H GLU 40 H GLU 40 -3.378 5.742 -2.488 313 HA GLU 40 HA GLU 40 -5.107 3.799 -1.609 314 1HB GLU 40 2HB GLU 40 -5.347 5.935 -3.251 315 2HB GLU 40 1HB GLU 40 -5.513 4.630 -4.418 316 1HG GLU 40 2HG GLU 40 -7.249 3.680 -2.766 317 2HG GLU 40 1HG GLU 40 -7.252 5.305 -2.083 318 H GLY 41 H GLY 41 -2.865 3.629 -4.311 319 1HA GLY 41 2HA GLY 41 -3.859 1.040 -5.157 320 2HA GLY 41 1HA GLY 41 -2.484 1.905 -5.832 321 H VAL 42 H VAL 42 -1.317 2.302 -3.141 322 HA VAL 42 HA VAL 42 0.414 0.117 -3.077 323 HB VAL 42 HB VAL 42 -0.200 1.990 -0.794 324 1HG1 VAL 42 1HG1 VAL 42 2.328 1.393 -0.425 325 2HG1 VAL 42 2HG1 VAL 42 1.889 -0.051 -1.342 326 3HG1 VAL 42 3HG1 VAL 42 1.046 0.326 0.166 327 1HG2 VAL 42 1HG2 VAL 42 0.557 2.908 -3.139 328 2HG2 VAL 42 2HG2 VAL 42 2.132 2.307 -2.620 329 3HG2 VAL 42 3HG2 VAL 42 1.291 3.515 -1.655 330 H GLU 43 H GLU 43 -2.291 0.883 -0.893 331 HA GLU 43 HA GLU 43 -2.021 -1.495 0.640 332 1HB GLU 43 2HB GLU 43 -4.533 -0.871 1.193 333 2HB GLU 43 1HB GLU 43 -3.195 0.076 1.830 334 1HG GLU 43 2HG GLU 43 -3.524 1.792 0.259 335 2HG GLU 43 1HG GLU 43 -4.596 0.793 -0.724 336 H SER 44 H SER 44 -4.284 -0.564 -1.935 337 HA SER 44 HA SER 44 -5.634 -3.039 -2.030 338 1HB SER 44 2HB SER 44 -6.833 -2.121 -3.761 339 2HB SER 44 1HB SER 44 -6.154 -0.641 -3.082 340 HG SER 44 HG SER 44 -5.523 -0.418 -5.099 341 H LEU 45 H LEU 45 -2.602 -1.965 -3.241 342 HA LEU 45 HA LEU 45 -2.191 -3.649 -5.423 343 1HB LEU 45 2HB LEU 45 -0.541 -2.094 -3.577 344 2HB LEU 45 1HB LEU 45 0.281 -3.502 -4.208 345 1HD1 LEU 45 1HD1 LEU 45 1.193 -3.636 -5.985 346 2HD1 LEU 45 2HD1 LEU 45 1.893 -2.040 -6.262 347 3HD1 LEU 45 3HD1 LEU 45 0.789 -2.738 -7.448 348 1HD2 LEU 45 1HD2 LEU 45 -1.230 -0.954 -7.202 349 2HD2 LEU 45 2HD2 LEU 45 -2.264 -1.776 -6.035 350 3HD2 LEU 45 3HD2 LEU 45 -1.415 -2.706 -7.271 351 H LYS 46 H LYS 46 -1.098 -4.222 -2.063 352 HA LYS 46 HA LYS 46 -0.393 -6.920 -2.591 353 1HB LYS 46 2HB LYS 46 0.762 -6.348 -0.750 354 2HB LYS 46 1HB LYS 46 -0.395 -5.118 -0.268 355 1HG LYS 46 2HG LYS 46 -1.040 -8.016 0.134 356 2HG LYS 46 1HG LYS 46 0.052 -7.184 1.248 357 1HD LYS 46 2HD LYS 46 -1.730 -5.430 1.530 358 2HD LYS 46 1HD LYS 46 -2.814 -6.485 0.628 359 1HE LYS 46 2HE LYS 46 -2.890 -8.067 2.298 360 2HE LYS 46 1HE LYS 46 -1.346 -7.563 2.988 361 1HZ LYS 46 1HZ LYS 46 -3.629 -6.960 4.115 362 2HZ LYS 46 2HZ LYS 46 -3.557 -5.650 3.047 363 3HZ LYS 46 3HZ LYS 46 -2.314 -5.898 4.166 364 H ASN 47 H ASN 47 -3.225 -5.445 -1.006 365 HA ASN 47 HA ASN 47 -4.511 -7.847 -0.343 366 1HB ASN 47 2HB ASN 47 -5.244 -5.021 -0.509 367 2HB ASN 47 1HB ASN 47 -6.584 -6.086 -0.924 368 1HD2 ASN 47 1HD2 ASN 47 -6.926 -7.921 0.624 369 2HD2 ASN 47 2HD2 ASN 47 -6.770 -7.565 2.307 370 H GLU 48 H GLU 48 -4.199 -6.172 -3.366 371 HA GLU 48 HA GLU 48 -6.294 -7.641 -4.693 372 1HB GLU 48 2HB GLU 48 -5.686 -5.411 -5.492 373 2HB GLU 48 1HB GLU 48 -4.042 -5.950 -5.806 374 1HG GLU 48 2HG GLU 48 -4.585 -6.806 -7.786 375 2HG GLU 48 1HG GLU 48 -6.036 -7.579 -7.152 376 H ILE 49 H ILE 49 -2.803 -7.824 -4.372 377 HA ILE 49 HA ILE 49 -2.359 -9.900 -6.238 378 HB ILE 49 HB ILE 49 -0.204 -10.186 -5.258 379 1HG1 ILE 49 2HG1 ILE 49 -0.634 -8.435 -2.922 380 2HG1 ILE 49 1HG1 ILE 49 -1.357 -10.026 -2.815 381 1HG2 ILE 49 1HG2 ILE 49 -0.137 -7.404 -4.597 382 2HG2 ILE 49 2HG2 ILE 49 -1.189 -7.673 -5.986 383 3HG2 ILE 49 3HG2 ILE 49 0.483 -8.232 -6.026 384 1HD1 ILE 49 1HD1 ILE 49 1.528 -9.475 -3.394 385 2HD1 ILE 49 2HD1 ILE 49 0.782 -11.051 -3.126 386 3HD1 ILE 49 3HD1 ILE 49 0.862 -9.873 -1.812 387 H LEU 50 H LEU 50 -3.519 -9.800 -2.994 388 HA LEU 50 HA LEU 50 -3.221 -12.612 -2.477 389 1HB LEU 50 2HB LEU 50 -4.633 -10.367 -1.040 390 2HB LEU 50 1HB LEU 50 -4.624 -12.019 -0.449 391 HG LEU 50 HG LEU 50 -1.967 -10.889 -1.040 392 1HD1 LEU 50 1HD1 LEU 50 -1.948 -9.677 1.151 393 2HD1 LEU 50 2HD1 LEU 50 -3.708 -9.793 1.152 394 3HD1 LEU 50 3HD1 LEU 50 -2.883 -8.904 -0.128 395 1HD2 LEU 50 1HD2 LEU 50 -1.820 -11.868 1.436 396 2HD2 LEU 50 2HD2 LEU 50 -1.730 -12.889 0.001 397 3HD2 LEU 50 3HD2 LEU 50 -3.251 -12.737 0.882 398 H LYS 51 H LYS 51 -5.698 -10.444 -3.664 399 HA LYS 51 HA LYS 51 -7.930 -12.123 -3.388 400 1HB LYS 51 2HB LYS 51 -7.257 -9.687 -4.830 401 2HB LYS 51 1HB LYS 51 -8.323 -10.722 -5.771 402 1HG LYS 51 2HG LYS 51 -9.579 -9.114 -4.446 403 2HG LYS 51 1HG LYS 51 -9.922 -10.770 -3.939 404 1HD LYS 51 2HD LYS 51 -7.846 -10.137 -2.305 405 2HD LYS 51 1HD LYS 51 -8.636 -8.568 -2.475 406 1HE LYS 51 2HE LYS 51 -9.958 -11.138 -1.608 407 2HE LYS 51 1HE LYS 51 -9.503 -9.803 -0.551 408 1HZ LYS 51 1HZ LYS 51 -11.922 -10.075 -1.612 409 2HZ LYS 51 2HZ LYS 51 -11.202 -9.116 -2.805 410 3HZ LYS 51 3HZ LYS 51 -11.255 -8.575 -1.203 411 H ALA 52 H ALA 52 -5.205 -12.237 -5.485 412 HA ALA 52 HA ALA 52 -6.259 -14.656 -6.729 413 1HB ALA 52 1HB ALA 52 -6.771 -12.945 -8.350 414 2HB ALA 52 2HB ALA 52 -5.438 -13.933 -8.952 415 3HB ALA 52 3HB ALA 52 -5.117 -12.334 -8.276 416 H LEU 53 H LEU 53 -4.597 -15.010 -4.801 417 HA LEU 53 HA LEU 53 -1.858 -14.677 -5.208 418 1HB LEU 53 2HB LEU 53 -3.580 -16.288 -3.468 419 2HB LEU 53 1HB LEU 53 -2.017 -17.018 -3.783 420 HG LEU 53 HG LEU 53 -1.979 -14.165 -3.001 421 1HD1 LEU 53 1HD1 LEU 53 -3.494 -14.613 -1.351 422 2HD1 LEU 53 2HD1 LEU 53 -2.009 -15.121 -0.547 423 3HD1 LEU 53 3HD1 LEU 53 -3.073 -16.323 -1.274 424 1HD2 LEU 53 1HD2 LEU 53 -0.299 -16.582 -2.790 425 2HD2 LEU 53 2HD2 LEU 53 -0.188 -15.433 -1.456 426 3HD2 LEU 53 3HD2 LEU 53 0.153 -14.906 -3.105 427 HA PRO 54 HA PRO 54 -1.529 -17.620 -8.626 428 1HB PRO 54 2HB PRO 54 0.971 -16.931 -9.375 429 2HB PRO 54 1HB PRO 54 -0.441 -15.947 -9.782 430 1HG PRO 54 2HG PRO 54 1.559 -15.573 -7.586 431 2HG PRO 54 1HG PRO 54 0.859 -14.365 -8.678 432 1HD PRO 54 2HD PRO 54 -0.015 -14.742 -6.131 433 2HD PRO 54 1HD PRO 54 -1.071 -14.182 -7.443 434 H THR 55 H THR 55 0.276 -19.215 -9.250 435 HA THR 55 HA THR 55 1.488 -21.062 -8.706 436 HB THR 55 HB THR 55 2.524 -19.551 -6.317 437 HG1 THR 55 1HG THR 55 3.979 -18.544 -7.708 438 1HG2 THR 55 1HG2 THR 55 3.311 -21.867 -6.659 439 2HG2 THR 55 2HG2 THR 55 4.596 -20.662 -6.761 440 3HG2 THR 55 3HG2 THR 55 3.943 -21.382 -8.232 441 H GLU 56 H GLU 56 -0.316 -22.329 -8.179 442 HA GLU 56 HA GLU 56 -1.325 -22.377 -5.478 443 1HB GLU 56 2HB GLU 56 -1.898 -24.070 -7.909 444 2HB GLU 56 1HB GLU 56 -2.667 -24.336 -6.350 445 1HG GLU 56 2HG GLU 56 -2.787 -21.670 -7.707 446 2HG GLU 56 1HG GLU 56 -3.916 -22.962 -8.112 Start of MODEL 5 1 1H MET 1 1HT MET 1 1.034 18.072 10.796 2 2H MET 1 2HT MET 1 0.555 17.750 12.410 3 3H MET 1 3HT MET 1 0.182 19.259 11.686 4 HA MET 1 HA MET 1 -0.793 16.690 10.655 5 1HB MET 1 2HB MET 1 -2.937 17.402 11.809 6 2HB MET 1 1HB MET 1 -1.655 16.824 12.863 7 1HG MET 1 2HG MET 1 -1.820 19.735 12.343 8 2HG MET 1 1HG MET 1 -3.039 19.006 13.395 9 1HE MET 1 1HE MET 1 -2.827 19.335 15.677 10 2HE MET 1 2HE MET 1 -1.448 18.890 16.683 11 3HE MET 1 3HE MET 1 -2.309 17.654 15.763 12 H GLU 2 H GLU 2 -3.130 17.342 9.757 13 HA GLU 2 HA GLU 2 -4.311 18.398 8.127 14 1HB GLU 2 2HB GLU 2 -2.679 20.855 8.743 15 2HB GLU 2 1HB GLU 2 -4.275 20.787 8.012 16 1HG GLU 2 2HG GLU 2 -4.517 19.470 10.462 17 2HG GLU 2 1HG GLU 2 -3.542 20.909 10.782 18 H ALA 3 H ALA 3 -1.406 17.349 7.750 19 HA ALA 3 HA ALA 3 -1.273 17.398 5.015 20 1HB ALA 3 1HB ALA 3 -0.936 19.682 4.810 21 2HB ALA 3 2HB ALA 3 0.706 19.040 4.754 22 3HB ALA 3 3HB ALA 3 0.093 19.764 6.242 23 H VAL 4 H VAL 4 -0.723 15.286 6.004 24 HA VAL 4 HA VAL 4 2.166 14.964 6.042 25 HB VAL 4 HB VAL 4 0.561 13.711 8.259 26 1HG1 VAL 4 1HG1 VAL 4 2.550 12.950 9.084 27 2HG1 VAL 4 2HG1 VAL 4 3.478 14.281 8.393 28 3HG1 VAL 4 3HG1 VAL 4 2.928 12.959 7.361 29 1HG2 VAL 4 1HG2 VAL 4 2.145 16.280 8.356 30 2HG2 VAL 4 2HG2 VAL 4 1.487 15.431 9.758 31 3HG2 VAL 4 3HG2 VAL 4 0.399 16.121 8.554 32 H ASP 5 H ASP 5 0.241 14.269 4.118 33 HA ASP 5 HA ASP 5 -0.792 11.709 4.210 34 1HB ASP 5 2HB ASP 5 -0.957 13.538 2.368 35 2HB ASP 5 1HB ASP 5 0.472 12.761 1.695 36 H ALA 6 H ALA 6 2.511 12.732 3.817 37 HA ALA 6 HA ALA 6 3.616 10.413 2.695 38 1HB ALA 6 1HB ALA 6 5.204 12.005 2.691 39 2HB ALA 6 2HB ALA 6 5.643 11.303 4.246 40 3HB ALA 6 3HB ALA 6 4.628 12.743 4.188 41 H ASN 7 H ASN 7 2.755 11.201 6.011 42 HA ASN 7 HA ASN 7 4.043 8.923 7.166 43 1HB ASN 7 2HB ASN 7 2.300 11.120 8.108 44 2HB ASN 7 1HB ASN 7 2.188 9.613 9.021 45 1HD2 ASN 7 1HD2 ASN 7 3.614 9.303 10.572 46 2HD2 ASN 7 2HD2 ASN 7 5.108 10.155 10.758 47 H SER 8 H SER 8 0.682 9.728 6.343 48 HA SER 8 HA SER 8 -0.411 7.253 7.169 49 1HB SER 8 2HB SER 8 -1.591 9.521 6.617 50 2HB SER 8 1HB SER 8 -1.639 8.892 4.974 51 HG SER 8 HG SER 8 -3.496 8.216 5.920 52 H LEU 9 H LEU 9 1.065 8.371 4.220 53 HA LEU 9 HA LEU 9 0.221 6.335 2.480 54 1HB LEU 9 2HB LEU 9 1.332 8.509 1.868 55 2HB LEU 9 1HB LEU 9 2.849 7.807 2.391 56 HG LEU 9 HG LEU 9 1.153 6.658 0.184 57 1HD1 LEU 9 1HD1 LEU 9 3.429 8.601 0.111 58 2HD1 LEU 9 2HD1 LEU 9 1.825 8.751 -0.613 59 3HD1 LEU 9 3HD1 LEU 9 2.988 7.604 -1.274 60 1HD2 LEU 9 1HD2 LEU 9 3.678 5.828 -0.259 61 2HD2 LEU 9 2HD2 LEU 9 2.478 4.902 0.643 62 3HD2 LEU 9 3HD2 LEU 9 3.661 5.889 1.504 63 H ALA 10 H ALA 10 3.089 6.665 4.536 64 HA ALA 10 HA ALA 10 4.338 4.259 3.766 65 1HB ALA 10 1HB ALA 10 5.783 4.587 5.659 66 2HB ALA 10 2HB ALA 10 4.641 5.721 6.382 67 3HB ALA 10 3HB ALA 10 5.478 6.143 4.888 68 H GLN 11 H GLN 11 1.651 4.846 5.818 69 HA GLN 11 HA GLN 11 1.944 2.460 7.391 70 1HB GLN 11 2HB GLN 11 0.835 4.279 8.448 71 2HB GLN 11 1HB GLN 11 -0.267 4.481 7.091 72 1HG GLN 11 2HG GLN 11 -1.212 2.275 7.586 73 2HG GLN 11 1HG GLN 11 -0.184 2.169 9.009 74 1HE2 GLN 11 1HE2 GLN 11 -1.607 2.266 10.635 75 2HE2 GLN 11 2HE2 GLN 11 -2.734 3.545 10.885 76 H ALA 12 H ALA 12 0.012 3.487 4.612 77 HA ALA 12 HA ALA 12 -1.666 1.297 4.378 78 1HB ALA 12 1HB ALA 12 -2.182 2.108 2.327 79 2HB ALA 12 2HB ALA 12 -0.489 2.315 1.869 80 3HB ALA 12 3HB ALA 12 -1.275 3.504 2.914 81 H LYS 13 H LYS 13 1.680 1.704 3.423 82 HA LYS 13 HA LYS 13 1.837 -0.980 2.320 83 1HB LYS 13 2HB LYS 13 4.385 -0.215 2.272 84 2HB LYS 13 1HB LYS 13 3.231 0.285 1.051 85 1HG LYS 13 2HG LYS 13 3.078 2.427 1.860 86 2HG LYS 13 1HG LYS 13 3.654 1.965 3.470 87 1HD LYS 13 2HD LYS 13 5.852 2.023 2.839 88 2HD LYS 13 1HD LYS 13 5.495 1.553 1.176 89 1HE LYS 13 2HE LYS 13 5.425 3.674 0.499 90 2HE LYS 13 1HE LYS 13 4.365 4.135 1.827 91 1HZ LYS 13 1HZ LYS 13 6.879 4.989 1.556 92 2HZ LYS 13 2HZ LYS 13 7.124 3.653 2.563 93 3HZ LYS 13 3HZ LYS 13 6.076 4.890 3.042 94 H GLU 14 H GLU 14 3.376 0.865 4.964 95 HA GLU 14 HA GLU 14 4.843 -1.164 6.131 96 1HB GLU 14 2HB GLU 14 3.443 1.249 7.245 97 2HB GLU 14 1HB GLU 14 4.194 0.098 8.343 98 1HG GLU 14 2HG GLU 14 5.940 0.880 6.152 99 2HG GLU 14 1HG GLU 14 5.426 2.238 7.150 100 H ALA 15 H ALA 15 1.443 -0.425 6.293 101 HA ALA 15 HA ALA 15 0.873 -2.543 8.194 102 1HB ALA 15 1HB ALA 15 -1.311 -1.755 8.241 103 2HB ALA 15 2HB ALA 15 -1.219 -1.107 6.604 104 3HB ALA 15 3HB ALA 15 -0.380 -0.292 7.923 105 H ALA 16 H ALA 16 0.646 -1.982 4.728 106 HA ALA 16 HA ALA 16 -0.853 -4.321 4.124 107 1HB ALA 16 1HB ALA 16 0.053 -3.916 1.778 108 2HB ALA 16 2HB ALA 16 0.840 -2.489 2.449 109 3HB ALA 16 3HB ALA 16 -0.916 -2.629 2.495 110 H ILE 17 H ILE 17 2.516 -3.703 4.703 111 HA ILE 17 HA ILE 17 3.464 -6.106 3.457 112 HB ILE 17 HB ILE 17 4.973 -4.209 3.704 113 1HG1 ILE 17 2HG1 ILE 17 6.008 -6.377 5.521 114 2HG1 ILE 17 1HG1 ILE 17 5.764 -6.652 3.798 115 1HG2 ILE 17 1HG2 ILE 17 4.373 -4.553 6.610 116 2HG2 ILE 17 2HG2 ILE 17 4.386 -3.087 5.633 117 3HG2 ILE 17 3HG2 ILE 17 5.906 -3.851 6.093 118 1HD1 ILE 17 1HD1 ILE 17 7.266 -4.663 3.405 119 2HD1 ILE 17 2HD1 ILE 17 8.033 -6.107 4.066 120 3HD1 ILE 17 3HD1 ILE 17 7.662 -4.744 5.122 121 H LYS 18 H LYS 18 2.409 -5.135 6.649 122 HA LYS 18 HA LYS 18 3.345 -7.313 8.139 123 1HB LYS 18 2HB LYS 18 1.632 -5.093 8.550 124 2HB LYS 18 1HB LYS 18 0.740 -6.521 9.057 125 1HG LYS 18 2HG LYS 18 3.452 -5.662 10.046 126 2HG LYS 18 1HG LYS 18 1.927 -5.567 10.929 127 1HD LYS 18 2HD LYS 18 2.528 -8.238 9.900 128 2HD LYS 18 1HD LYS 18 3.716 -7.639 11.059 129 1HE LYS 18 2HE LYS 18 1.887 -7.143 12.635 130 2HE LYS 18 1HE LYS 18 0.735 -7.816 11.483 131 1HZ LYS 18 1HZ LYS 18 1.327 -9.912 11.983 132 2HZ LYS 18 2HZ LYS 18 1.863 -9.227 13.434 133 3HZ LYS 18 3HZ LYS 18 2.964 -9.536 12.188 134 H GLU 19 H GLU 19 0.552 -6.927 6.058 135 HA GLU 19 HA GLU 19 -0.656 -9.424 6.763 136 1HB GLU 19 2HB GLU 19 -1.213 -7.212 4.937 137 2HB GLU 19 1HB GLU 19 -1.594 -8.777 4.231 138 1HG GLU 19 2HG GLU 19 -3.574 -8.097 5.243 139 2HG GLU 19 1HG GLU 19 -2.875 -9.246 6.383 140 H LEU 20 H LEU 20 1.509 -8.291 4.221 141 HA LEU 20 HA LEU 20 1.517 -10.628 2.666 142 1HB LEU 20 2HB LEU 20 2.961 -8.161 2.754 143 2HB LEU 20 1HB LEU 20 4.104 -9.481 2.576 144 HG LEU 20 HG LEU 20 2.020 -10.028 0.779 145 1HD1 LEU 20 1HD1 LEU 20 1.856 -7.363 1.286 146 2HD1 LEU 20 2HD1 LEU 20 1.336 -8.149 -0.205 147 3HD1 LEU 20 3HD1 LEU 20 2.933 -7.405 -0.109 148 1HD2 LEU 20 1HD2 LEU 20 3.722 -10.308 -0.664 149 2HD2 LEU 20 2HD2 LEU 20 4.706 -10.139 0.788 150 3HD2 LEU 20 3HD2 LEU 20 4.452 -8.751 -0.271 151 H LYS 21 H LYS 21 3.185 -9.721 5.592 152 HA LYS 21 HA LYS 21 4.948 -12.007 5.561 153 1HB LYS 21 2HB LYS 21 5.619 -9.850 6.589 154 2HB LYS 21 1HB LYS 21 4.353 -10.052 7.792 155 1HG LYS 21 2HG LYS 21 5.899 -12.413 7.811 156 2HG LYS 21 1HG LYS 21 7.020 -11.053 7.803 157 1HD LYS 21 2HD LYS 21 6.681 -11.058 10.027 158 2HD LYS 21 1HD LYS 21 5.188 -10.210 9.621 159 1HE LYS 21 2HE LYS 21 4.625 -11.989 11.104 160 2HE LYS 21 1HE LYS 21 4.056 -12.436 9.496 161 1HZ LYS 21 1HZ LYS 21 6.492 -13.511 9.487 162 2HZ LYS 21 2HZ LYS 21 5.106 -14.348 9.978 163 3HZ LYS 21 3HZ LYS 21 6.123 -13.646 11.133 164 H GLN 22 H GLN 22 1.955 -11.013 7.130 165 HA GLN 22 HA GLN 22 1.785 -13.286 8.851 166 1HB GLN 22 2HB GLN 22 0.614 -11.066 9.190 167 2HB GLN 22 1HB GLN 22 -0.497 -11.545 7.915 168 1HG GLN 22 2HG GLN 22 -0.149 -13.508 10.070 169 2HG GLN 22 1HG GLN 22 -0.903 -11.987 10.545 170 1HE2 GLN 22 1HE2 GLN 22 -2.843 -11.353 9.500 171 2HE2 GLN 22 2HE2 GLN 22 -3.878 -12.526 8.767 172 H TYR 23 H TYR 23 0.822 -12.562 5.589 173 HA TYR 23 HA TYR 23 -0.888 -14.864 5.305 174 1HB TYR 23 2HB TYR 23 0.063 -12.657 3.541 175 2HB TYR 23 1HB TYR 23 -0.477 -14.148 2.768 176 HD1 TYR 23 1HD TYR 23 -2.790 -15.055 3.854 177 HD2 TYR 23 2HD TYR 23 -1.506 -11.004 3.737 178 HE1 TYR 23 1HE TYR 23 -5.124 -14.316 4.050 179 HE2 TYR 23 2HE TYR 23 -3.833 -10.252 3.934 180 HH TYR 23 HH TYR 23 -6.243 -11.981 5.010 181 H GLY 24 H GLY 24 2.386 -13.930 4.369 182 1HA GLY 24 2HA GLY 24 4.125 -15.618 4.409 183 2HA GLY 24 1HA GLY 24 2.939 -16.776 3.827 184 H ILE 25 H ILE 25 2.225 -14.127 2.088 185 HA ILE 25 HA ILE 25 3.083 -15.091 -0.347 186 HB ILE 25 HB ILE 25 3.165 -12.154 -0.271 187 1HG1 ILE 25 2HG1 ILE 25 0.662 -13.609 0.619 188 2HG1 ILE 25 1HG1 ILE 25 1.575 -12.423 1.547 189 1HG2 ILE 25 1HG2 ILE 25 2.897 -12.916 -2.386 190 2HG2 ILE 25 2HG2 ILE 25 1.191 -12.767 -1.947 191 3HG2 ILE 25 3HG2 ILE 25 1.987 -14.340 -1.880 192 1HD1 ILE 25 1HD1 ILE 25 -0.115 -11.111 0.776 193 2HD1 ILE 25 2HD1 ILE 25 -0.290 -12.026 -0.722 194 3HD1 ILE 25 3HD1 ILE 25 1.048 -10.899 -0.533 195 H GLY 26 H GLY 26 4.647 -13.817 -1.883 196 1HA GLY 26 2HA GLY 26 7.268 -14.087 -0.715 197 2HA GLY 26 1HA GLY 26 6.901 -13.697 -2.394 198 H ASP 27 H ASP 27 8.924 -12.492 -0.758 199 HA ASP 27 HA ASP 27 8.111 -9.985 0.254 200 1HB ASP 27 2HB ASP 27 10.689 -11.280 -0.437 201 2HB ASP 27 1HB ASP 27 10.690 -9.520 -0.388 202 H TYR 28 H TYR 28 8.652 -11.112 -2.966 203 HA TYR 28 HA TYR 28 9.388 -8.891 -4.398 204 1HB TYR 28 2HB TYR 28 8.468 -11.314 -5.126 205 2HB TYR 28 1HB TYR 28 7.021 -10.361 -5.444 206 HD1 TYR 28 1HD TYR 28 6.797 -9.809 -7.656 207 HD2 TYR 28 2HD TYR 28 10.681 -9.807 -5.932 208 HE1 TYR 28 1HE TYR 28 7.732 -9.022 -9.785 209 HE2 TYR 28 2HE TYR 28 11.630 -9.024 -8.051 210 HH TYR 28 HH TYR 28 9.780 -7.769 -10.548 211 H TYR 29 H TYR 29 6.159 -9.757 -3.314 212 HA TYR 29 HA TYR 29 4.948 -7.378 -4.291 213 1HB TYR 29 2HB TYR 29 3.768 -9.325 -2.311 214 2HB TYR 29 1HB TYR 29 2.910 -8.252 -3.409 215 HD1 TYR 29 1HD TYR 29 4.911 -8.746 -5.755 216 HD2 TYR 29 2HD TYR 29 2.700 -11.337 -3.190 217 HE1 TYR 29 1HE TYR 29 4.982 -10.514 -7.468 218 HE2 TYR 29 2HE TYR 29 2.753 -13.096 -4.908 219 HH TYR 29 HH TYR 29 4.777 -12.926 -7.650 220 H ILE 30 H ILE 30 6.536 -8.129 -1.295 221 HA ILE 30 HA ILE 30 5.231 -6.026 0.179 222 HB ILE 30 HB ILE 30 6.547 -6.539 1.967 223 1HG1 ILE 30 2HG1 ILE 30 8.877 -7.693 1.606 224 2HG1 ILE 30 1HG1 ILE 30 8.742 -6.987 -0.002 225 1HG2 ILE 30 1HG2 ILE 30 6.422 -8.965 0.260 226 2HG2 ILE 30 2HG2 ILE 30 5.554 -8.575 1.741 227 3HG2 ILE 30 3HG2 ILE 30 7.254 -9.029 1.811 228 1HD1 ILE 30 1HD1 ILE 30 9.682 -5.193 0.921 229 2HD1 ILE 30 2HD1 ILE 30 9.297 -5.720 2.560 230 3HD1 ILE 30 3HD1 ILE 30 8.078 -4.887 1.591 231 H LYS 31 H LYS 31 8.012 -6.431 -1.855 232 HA LYS 31 HA LYS 31 9.088 -3.798 -1.401 233 1HB LYS 31 2HB LYS 31 9.769 -6.143 -3.111 234 2HB LYS 31 1HB LYS 31 10.415 -4.571 -3.556 235 1HG LYS 31 2HG LYS 31 12.058 -4.868 -2.105 236 2HG LYS 31 1HG LYS 31 10.875 -4.866 -0.796 237 1HD LYS 31 2HD LYS 31 10.563 -7.382 -1.620 238 2HD LYS 31 1HD LYS 31 12.233 -7.138 -2.135 239 1HE LYS 31 2HE LYS 31 11.241 -6.545 0.646 240 2HE LYS 31 1HE LYS 31 11.946 -8.090 0.174 241 1HZ LYS 31 1HZ LYS 31 13.232 -5.524 0.614 242 2HZ LYS 31 2HZ LYS 31 13.813 -6.415 -0.700 243 3HZ LYS 31 3HZ LYS 31 13.828 -7.090 0.851 244 H LEU 32 H LEU 32 7.454 -5.480 -4.083 245 HA LEU 32 HA LEU 32 7.409 -3.417 -5.906 246 1HB LEU 32 2HB LEU 32 6.194 -4.849 -7.146 247 2HB LEU 32 1HB LEU 32 6.428 -5.960 -5.820 248 HG LEU 32 HG LEU 32 4.152 -6.073 -6.329 249 1HD1 LEU 32 1HD1 LEU 32 5.098 -5.097 -3.908 250 2HD1 LEU 32 2HD1 LEU 32 3.583 -5.972 -4.197 251 3HD1 LEU 32 3HD1 LEU 32 3.607 -4.206 -4.228 252 1HD2 LEU 32 1HD2 LEU 32 3.514 -3.224 -5.977 253 2HD2 LEU 32 2HD2 LEU 32 2.868 -4.399 -7.123 254 3HD2 LEU 32 3HD2 LEU 32 4.416 -3.615 -7.441 255 H ILE 33 H ILE 33 5.808 -3.642 -2.919 256 HA ILE 33 HA ILE 33 3.671 -1.799 -3.431 257 HB ILE 33 HB ILE 33 4.784 -3.222 -1.057 258 1HG1 ILE 33 2HG1 ILE 33 2.102 -2.920 -2.383 259 2HG1 ILE 33 1HG1 ILE 33 3.090 -4.365 -2.226 260 1HG2 ILE 33 1HG2 ILE 33 2.647 -1.555 -0.154 261 2HG2 ILE 33 2HG2 ILE 33 3.934 -0.545 -0.799 262 3HG2 ILE 33 3HG2 ILE 33 4.284 -1.706 0.477 263 1HD1 ILE 33 1HD1 ILE 33 0.965 -3.533 -0.602 264 2HD1 ILE 33 2HD1 ILE 33 2.426 -3.399 0.377 265 3HD1 ILE 33 3HD1 ILE 33 2.015 -4.933 -0.388 266 H ASN 34 H ASN 34 6.702 -1.642 -1.573 267 HA ASN 34 HA ASN 34 6.625 1.008 -0.818 268 1HB ASN 34 2HB ASN 34 8.292 -0.698 -0.083 269 2HB ASN 34 1HB ASN 34 9.111 -0.504 -1.630 270 1HD2 ASN 34 1HD2 ASN 34 8.434 0.907 1.453 271 2HD2 ASN 34 2HD2 ASN 34 9.563 2.209 1.339 272 H ASN 35 H ASN 35 7.181 -0.286 -3.981 273 HA ASN 35 HA ASN 35 8.459 2.085 -5.008 274 1HB ASN 35 2HB ASN 35 8.651 -0.410 -5.814 275 2HB ASN 35 1HB ASN 35 7.243 0.012 -6.785 276 1HD2 ASN 35 1HD2 ASN 35 8.087 0.085 -8.772 277 2HD2 ASN 35 2HD2 ASN 35 9.376 1.128 -9.259 278 H ALA 36 H ALA 36 5.202 1.017 -4.598 279 HA ALA 36 HA ALA 36 3.878 2.257 -6.686 280 1HB ALA 36 1HB ALA 36 2.296 1.171 -5.552 281 2HB ALA 36 2HB ALA 36 2.157 2.644 -4.592 282 3HB ALA 36 3HB ALA 36 3.165 1.314 -4.026 283 H LYS 37 H LYS 37 3.334 4.286 -7.222 284 HA LYS 37 HA LYS 37 4.303 6.455 -5.494 285 1HB LYS 37 2HB LYS 37 4.250 6.005 -8.363 286 2HB LYS 37 1HB LYS 37 3.519 7.546 -7.945 287 1HG LYS 37 2HG LYS 37 5.765 8.053 -8.292 288 2HG LYS 37 1HG LYS 37 5.623 7.943 -6.536 289 1HD LYS 37 2HD LYS 37 6.354 5.496 -8.067 290 2HD LYS 37 1HD LYS 37 7.579 6.739 -7.829 291 1HE LYS 37 2HE LYS 37 5.987 5.419 -5.635 292 2HE LYS 37 1HE LYS 37 7.641 5.005 -6.081 293 1HZ LYS 37 1HZ LYS 37 7.373 7.795 -5.600 294 2HZ LYS 37 2HZ LYS 37 8.412 6.674 -4.873 295 3HZ LYS 37 3HZ LYS 37 6.853 6.901 -4.259 296 H THR 38 H THR 38 1.966 5.228 -4.699 297 HA THR 38 HA THR 38 0.218 7.360 -4.316 298 HB THR 38 HB THR 38 -1.693 5.999 -5.699 299 HG1 THR 38 1HG THR 38 -0.405 4.646 -6.820 300 1HG2 THR 38 1HG2 THR 38 -0.658 8.512 -5.821 301 2HG2 THR 38 2HG2 THR 38 -1.961 7.893 -6.831 302 3HG2 THR 38 3HG2 THR 38 -0.307 7.889 -7.433 303 H VAL 39 H VAL 39 -0.160 6.758 -2.271 304 HA VAL 39 HA VAL 39 -0.086 4.277 -1.185 305 HB VAL 39 HB VAL 39 -0.516 6.658 -0.109 306 1HG1 VAL 39 1HG1 VAL 39 -3.164 5.276 0.209 307 2HG1 VAL 39 2HG1 VAL 39 -2.890 6.719 -0.767 308 3HG1 VAL 39 3HG1 VAL 39 -2.651 6.775 0.982 309 1HG2 VAL 39 1HG2 VAL 39 -0.850 3.884 0.869 310 2HG2 VAL 39 2HG2 VAL 39 -1.181 5.214 1.977 311 3HG2 VAL 39 3HG2 VAL 39 0.412 5.057 1.229 312 H GLU 40 H GLU 40 -3.015 5.793 -2.523 313 HA GLU 40 HA GLU 40 -4.892 3.921 -1.815 314 1HB GLU 40 2HB GLU 40 -4.582 5.765 -4.120 315 2HB GLU 40 1HB GLU 40 -5.765 4.477 -4.297 316 1HG GLU 40 2HG GLU 40 -7.188 5.832 -3.271 317 2HG GLU 40 1HG GLU 40 -6.300 5.482 -1.792 318 H GLY 41 H GLY 41 -2.457 3.703 -4.322 319 1HA GLY 41 2HA GLY 41 -3.488 1.158 -5.280 320 2HA GLY 41 1HA GLY 41 -2.068 2.004 -5.882 321 H VAL 42 H VAL 42 -0.943 2.386 -3.224 322 HA VAL 42 HA VAL 42 0.725 0.177 -3.049 323 HB VAL 42 HB VAL 42 0.011 2.073 -0.810 324 1HG1 VAL 42 1HG1 VAL 42 1.139 0.311 0.196 325 2HG1 VAL 42 2HG1 VAL 42 2.438 1.452 -0.180 326 3HG1 VAL 42 3HG1 VAL 42 2.168 0.047 -1.216 327 1HG2 VAL 42 1HG2 VAL 42 0.924 2.965 -3.094 328 2HG2 VAL 42 2HG2 VAL 42 2.454 2.311 -2.511 329 3HG2 VAL 42 3HG2 VAL 42 1.613 3.547 -1.579 330 H GLU 43 H GLU 43 -2.106 0.957 -1.036 331 HA GLU 43 HA GLU 43 -1.936 -1.425 0.511 332 1HB GLU 43 2HB GLU 43 -4.485 -0.766 0.902 333 2HB GLU 43 1HB GLU 43 -3.167 0.111 1.666 334 1HG GLU 43 2HG GLU 43 -3.327 1.889 0.127 335 2HG GLU 43 1HG GLU 43 -4.380 0.964 -0.946 336 H SER 44 H SER 44 -4.226 -0.468 -2.049 337 HA SER 44 HA SER 44 -5.510 -2.950 -2.235 338 1HB SER 44 2HB SER 44 -5.869 -0.486 -3.365 339 2HB SER 44 1HB SER 44 -5.315 -1.434 -4.747 340 HG SER 44 HG SER 44 -7.425 -2.215 -3.018 341 H LEU 45 H LEU 45 -2.448 -1.870 -3.383 342 HA LEU 45 HA LEU 45 -2.010 -3.538 -5.569 343 1HB LEU 45 2HB LEU 45 -0.366 -2.039 -3.664 344 2HB LEU 45 1HB LEU 45 0.440 -3.450 -4.307 345 1HD1 LEU 45 1HD1 LEU 45 1.371 -3.583 -6.059 346 2HD1 LEU 45 2HD1 LEU 45 2.046 -2.017 -6.511 347 3HD1 LEU 45 3HD1 LEU 45 0.845 -2.792 -7.546 348 1HD2 LEU 45 1HD2 LEU 45 -1.233 -2.437 -7.399 349 2HD2 LEU 45 2HD2 LEU 45 -1.004 -0.704 -7.166 350 3HD2 LEU 45 3HD2 LEU 45 -2.050 -1.610 -6.074 351 H LYS 46 H LYS 46 -1.010 -4.135 -2.194 352 HA LYS 46 HA LYS 46 -0.369 -6.862 -2.700 353 1HB LYS 46 2HB LYS 46 0.769 -6.345 -0.838 354 2HB LYS 46 1HB LYS 46 -0.314 -5.030 -0.414 355 1HG LYS 46 2HG LYS 46 -1.132 -7.873 0.048 356 2HG LYS 46 1HG LYS 46 -0.047 -7.054 1.177 357 1HD LYS 46 2HD LYS 46 -1.753 -5.211 1.326 358 2HD LYS 46 1HD LYS 46 -2.851 -6.250 0.421 359 1HE LYS 46 2HE LYS 46 -3.144 -7.695 2.153 360 2HE LYS 46 1HE LYS 46 -1.539 -7.393 2.818 361 1HZ LYS 46 1HZ LYS 46 -2.509 -5.072 3.328 362 2HZ LYS 46 2HZ LYS 46 -2.911 -6.368 4.335 363 3HZ LYS 46 3HZ LYS 46 -4.011 -5.836 3.167 364 H ASN 47 H ASN 47 -3.180 -5.221 -1.303 365 HA ASN 47 HA ASN 47 -4.599 -7.533 -0.566 366 1HB ASN 47 2HB ASN 47 -5.234 -5.255 0.169 367 2HB ASN 47 1HB ASN 47 -5.710 -4.858 -1.480 368 1HD2 ASN 47 1HD2 ASN 47 -6.787 -5.891 1.468 369 2HD2 ASN 47 2HD2 ASN 47 -8.303 -6.569 0.990 370 H GLU 48 H GLU 48 -4.092 -5.994 -3.630 371 HA GLU 48 HA GLU 48 -6.196 -7.416 -4.992 372 1HB GLU 48 2HB GLU 48 -5.446 -5.224 -5.808 373 2HB GLU 48 1HB GLU 48 -3.833 -5.866 -6.080 374 1HG GLU 48 2HG GLU 48 -4.548 -7.203 -7.870 375 2HG GLU 48 1HG GLU 48 -6.247 -7.010 -7.441 376 H ILE 49 H ILE 49 -2.756 -7.755 -4.452 377 HA ILE 49 HA ILE 49 -2.313 -9.896 -6.264 378 HB ILE 49 HB ILE 49 -0.205 -10.208 -5.227 379 1HG1 ILE 49 2HG1 ILE 49 -0.759 -8.485 -2.868 380 2HG1 ILE 49 1HG1 ILE 49 -1.366 -10.127 -2.828 381 1HG2 ILE 49 1HG2 ILE 49 -1.116 -7.628 -5.902 382 2HG2 ILE 49 2HG2 ILE 49 0.522 -8.275 -6.005 383 3HG2 ILE 49 3HG2 ILE 49 -0.012 -7.460 -4.536 384 1HD1 ILE 49 1HD1 ILE 49 1.467 -9.623 -3.529 385 2HD1 ILE 49 2HD1 ILE 49 0.726 -11.025 -2.756 386 3HD1 ILE 49 3HD1 ILE 49 0.947 -9.526 -1.847 387 H LEU 50 H LEU 50 -3.546 -9.629 -3.052 388 HA LEU 50 HA LEU 50 -3.409 -12.436 -2.456 389 1HB LEU 50 2HB LEU 50 -4.727 -10.088 -1.094 390 2HB LEU 50 1HB LEU 50 -4.768 -11.721 -0.451 391 HG LEU 50 HG LEU 50 -2.089 -10.647 -1.087 392 1HD1 LEU 50 1HD1 LEU 50 -3.044 -8.669 -0.145 393 2HD1 LEU 50 2HD1 LEU 50 -2.000 -9.422 1.062 394 3HD1 LEU 50 3HD1 LEU 50 -3.752 -9.587 1.184 395 1HD2 LEU 50 1HD2 LEU 50 -1.856 -12.662 -0.078 396 2HD2 LEU 50 2HD2 LEU 50 -3.363 -12.505 0.831 397 3HD2 LEU 50 3HD2 LEU 50 -1.915 -11.656 1.372 398 H LYS 51 H LYS 51 -5.752 -10.159 -3.716 399 HA LYS 51 HA LYS 51 -8.071 -11.721 -3.428 400 1HB LYS 51 2HB LYS 51 -7.949 -9.285 -4.110 401 2HB LYS 51 1HB LYS 51 -7.489 -9.834 -5.715 402 1HG LYS 51 2HG LYS 51 -9.863 -11.194 -4.827 403 2HG LYS 51 1HG LYS 51 -10.067 -9.445 -4.723 404 1HD LYS 51 2HD LYS 51 -9.047 -10.881 -7.171 405 2HD LYS 51 1HD LYS 51 -10.740 -10.448 -6.917 406 1HE LYS 51 2HE LYS 51 -8.922 -8.215 -6.486 407 2HE LYS 51 1HE LYS 51 -8.816 -8.876 -8.117 408 1HZ LYS 51 1HZ LYS 51 -11.495 -8.477 -7.081 409 2HZ LYS 51 2HZ LYS 51 -10.874 -8.181 -8.627 410 3HZ LYS 51 3HZ LYS 51 -10.609 -7.067 -7.383 411 H ALA 52 H ALA 52 -5.336 -12.014 -5.481 412 HA ALA 52 HA ALA 52 -6.510 -14.373 -6.722 413 1HB ALA 52 1HB ALA 52 -5.681 -13.709 -8.953 414 2HB ALA 52 2HB ALA 52 -5.251 -12.128 -8.296 415 3HB ALA 52 3HB ALA 52 -6.941 -12.634 -8.347 416 H LEU 53 H LEU 53 -4.909 -14.955 -4.876 417 HA LEU 53 HA LEU 53 -2.124 -14.877 -5.709 418 1HB LEU 53 2HB LEU 53 -3.543 -15.197 -3.221 419 2HB LEU 53 1HB LEU 53 -2.389 -16.500 -3.427 420 HG LEU 53 HG LEU 53 -1.677 -13.574 -3.628 421 1HD1 LEU 53 1HD1 LEU 53 -0.672 -13.858 -1.411 422 2HD1 LEU 53 2HD1 LEU 53 -1.351 -15.483 -1.318 423 3HD1 LEU 53 3HD1 LEU 53 -2.421 -14.082 -1.376 424 1HD2 LEU 53 1HD2 LEU 53 0.339 -15.628 -3.009 425 2HD2 LEU 53 2HD2 LEU 53 0.446 -14.204 -4.043 426 3HD2 LEU 53 3HD2 LEU 53 -0.320 -15.674 -4.644 427 HA PRO 54 HA PRO 54 -2.973 -19.681 -5.636 428 1HB PRO 54 2HB PRO 54 -5.904 -19.777 -5.977 429 2HB PRO 54 1HB PRO 54 -4.867 -20.710 -4.893 430 1HG PRO 54 2HG PRO 54 -6.479 -18.784 -3.965 431 2HG PRO 54 1HG PRO 54 -4.879 -19.079 -3.258 432 1HD PRO 54 2HD PRO 54 -5.742 -16.940 -5.169 433 2HD PRO 54 1HD PRO 54 -4.663 -16.827 -3.763 434 H THR 55 H THR 55 -3.368 -21.115 -7.446 435 HA THR 55 HA THR 55 -4.700 -20.176 -9.793 436 HB THR 55 HB THR 55 -1.730 -20.478 -10.122 437 HG1 THR 55 1HG THR 55 -1.623 -18.185 -10.018 438 1HG2 THR 55 1HG2 THR 55 -1.992 -19.307 -12.135 439 2HG2 THR 55 2HG2 THR 55 -3.627 -18.792 -11.716 440 3HG2 THR 55 3HG2 THR 55 -3.306 -20.484 -12.096 441 H GLU 56 H GLU 56 -4.629 -22.520 -8.065 442 HA GLU 56 HA GLU 56 -4.709 -24.528 -10.065 443 1HB GLU 56 2HB GLU 56 -2.922 -25.988 -9.087 444 2HB GLU 56 1HB GLU 56 -2.320 -24.557 -9.912 445 1HG GLU 56 2HG GLU 56 -2.773 -24.455 -6.971 446 2HG GLU 56 1HG GLU 56 -1.348 -25.280 -7.601 Start of MODEL 6 1 1H MET 1 1HT MET 1 -3.314 25.576 0.117 2 2H MET 1 2HT MET 1 -3.295 25.867 1.805 3 3H MET 1 3HT MET 1 -4.750 26.040 0.916 4 HA MET 1 HA MET 1 -4.984 24.042 1.968 5 1HB MET 1 2HB MET 1 -3.793 23.377 -0.730 6 2HB MET 1 1HB MET 1 -5.025 22.476 0.136 7 1HG MET 1 2HG MET 1 -6.637 24.171 -0.223 8 2HG MET 1 1HG MET 1 -5.419 25.302 -0.818 9 1HE MET 1 1HE MET 1 -7.482 24.694 -4.045 10 2HE MET 1 2HE MET 1 -7.058 25.802 -2.737 11 3HE MET 1 3HE MET 1 -8.240 24.521 -2.462 12 H GLU 2 H GLU 2 -4.086 22.560 3.260 13 HA GLU 2 HA GLU 2 -1.186 22.213 3.138 14 1HB GLU 2 2HB GLU 2 -1.367 21.419 5.456 15 2HB GLU 2 1HB GLU 2 -2.033 23.035 5.266 16 1HG GLU 2 2HG GLU 2 -4.295 22.089 5.201 17 2HG GLU 2 1HG GLU 2 -3.616 20.477 5.423 18 H ALA 3 H ALA 3 -0.454 19.985 3.977 19 HA ALA 3 HA ALA 3 -2.100 17.728 3.583 20 1HB ALA 3 1HB ALA 3 -0.656 18.765 1.227 21 2HB ALA 3 2HB ALA 3 -2.139 17.817 1.322 22 3HB ALA 3 3HB ALA 3 -0.570 17.030 1.497 23 H VAL 4 H VAL 4 -1.125 15.865 4.288 24 HA VAL 4 HA VAL 4 1.736 15.646 4.513 25 HB VAL 4 HB VAL 4 1.611 15.250 7.027 26 1HG1 VAL 4 1HG1 VAL 4 1.076 18.128 6.484 27 2HG1 VAL 4 2HG1 VAL 4 2.426 17.363 5.663 28 3HG1 VAL 4 3HG1 VAL 4 2.361 17.371 7.425 29 1HG2 VAL 4 1HG2 VAL 4 -0.173 16.636 8.156 30 2HG2 VAL 4 2HG2 VAL 4 -0.720 15.138 7.401 31 3HG2 VAL 4 3HG2 VAL 4 -1.001 16.682 6.599 32 H ASP 5 H ASP 5 -0.286 14.143 3.227 33 HA ASP 5 HA ASP 5 -1.031 11.871 4.741 34 1HB ASP 5 2HB ASP 5 -1.996 12.808 2.500 35 2HB ASP 5 1HB ASP 5 -0.759 11.795 1.757 36 H ALA 6 H ALA 6 1.948 12.814 3.469 37 HA ALA 6 HA ALA 6 3.141 10.551 2.485 38 1HB ALA 6 1HB ALA 6 4.111 12.933 3.955 39 2HB ALA 6 2HB ALA 6 4.593 12.285 2.386 40 3HB ALA 6 3HB ALA 6 5.203 11.547 3.867 41 H ASN 7 H ASN 7 2.372 11.297 5.827 42 HA ASN 7 HA ASN 7 3.893 9.168 6.962 43 1HB ASN 7 2HB ASN 7 2.678 11.374 7.988 44 2HB ASN 7 1HB ASN 7 1.531 10.126 8.454 45 1HD2 ASN 7 1HD2 ASN 7 1.884 9.798 10.535 46 2HD2 ASN 7 2HD2 ASN 7 3.407 9.444 11.261 47 H SER 8 H SER 8 0.451 9.595 6.199 48 HA SER 8 HA SER 8 -0.315 7.002 7.054 49 1HB SER 8 2HB SER 8 -1.834 9.026 6.742 50 2HB SER 8 1HB SER 8 -1.776 8.682 5.013 51 HG SER 8 HG SER 8 -3.572 7.685 5.980 52 H LEU 9 H LEU 9 0.862 8.326 4.050 53 HA LEU 9 HA LEU 9 0.138 6.280 2.291 54 1HB LEU 9 2HB LEU 9 1.107 8.540 1.722 55 2HB LEU 9 1HB LEU 9 2.675 7.899 2.172 56 HG LEU 9 HG LEU 9 0.964 6.759 -0.032 57 1HD1 LEU 9 1HD1 LEU 9 2.072 9.178 -0.154 58 2HD1 LEU 9 2HD1 LEU 9 1.948 8.100 -1.545 59 3HD1 LEU 9 3HD1 LEU 9 3.456 8.199 -0.634 60 1HD2 LEU 9 1HD2 LEU 9 3.542 6.029 1.188 61 2HD2 LEU 9 2HD2 LEU 9 3.486 6.011 -0.575 62 3HD2 LEU 9 3HD2 LEU 9 2.353 5.028 0.354 63 H ALA 10 H ALA 10 3.043 6.716 4.276 64 HA ALA 10 HA ALA 10 4.365 4.374 3.395 65 1HB ALA 10 1HB ALA 10 4.759 6.376 5.527 66 2HB ALA 10 2HB ALA 10 5.893 5.750 4.329 67 3HB ALA 10 3HB ALA 10 5.520 4.803 5.770 68 H GLN 11 H GLN 11 1.815 4.877 5.646 69 HA GLN 11 HA GLN 11 2.291 2.471 7.154 70 1HB GLN 11 2HB GLN 11 1.273 4.267 8.340 71 2HB GLN 11 1HB GLN 11 0.036 4.466 7.103 72 1HG GLN 11 2HG GLN 11 -0.823 2.242 7.661 73 2HG GLN 11 1HG GLN 11 0.346 2.131 8.971 74 1HE2 GLN 11 1HE2 GLN 11 -0.521 2.520 10.862 75 2HE2 GLN 11 2HE2 GLN 11 -1.783 3.651 11.199 76 H ALA 12 H ALA 12 0.066 3.523 4.605 77 HA ALA 12 HA ALA 12 -1.601 1.321 4.495 78 1HB ALA 12 1HB ALA 12 -1.379 3.540 3.025 79 2HB ALA 12 2HB ALA 12 -2.303 2.134 2.496 80 3HB ALA 12 3HB ALA 12 -0.658 2.384 1.904 81 H LYS 13 H LYS 13 1.642 1.758 3.247 82 HA LYS 13 HA LYS 13 1.712 -0.907 2.093 83 1HB LYS 13 2HB LYS 13 4.248 -0.123 1.845 84 2HB LYS 13 1HB LYS 13 2.993 0.368 0.728 85 1HG LYS 13 2HG LYS 13 2.916 2.506 1.509 86 2HG LYS 13 1HG LYS 13 3.547 2.057 3.102 87 1HD LYS 13 2HD LYS 13 5.723 2.110 2.397 88 2HD LYS 13 1HD LYS 13 5.309 1.630 0.749 89 1HE LYS 13 2HE LYS 13 5.192 3.747 0.060 90 2HE LYS 13 1HE LYS 13 4.210 4.220 1.445 91 1HZ LYS 13 1HZ LYS 13 7.168 4.024 1.341 92 2HZ LYS 13 2HZ LYS 13 6.290 4.296 2.762 93 3HZ LYS 13 3HZ LYS 13 6.243 5.432 1.510 94 H GLU 14 H GLU 14 3.520 0.902 4.587 95 HA GLU 14 HA GLU 14 5.073 -1.133 5.604 96 1HB GLU 14 2HB GLU 14 3.786 1.279 6.842 97 2HB GLU 14 1HB GLU 14 4.592 0.112 7.883 98 1HG GLU 14 2HG GLU 14 6.664 0.413 6.643 99 2HG GLU 14 1HG GLU 14 5.863 1.559 5.569 100 H ALA 15 H ALA 15 1.696 -0.419 6.072 101 HA ALA 15 HA ALA 15 1.318 -2.567 7.993 102 1HB ALA 15 1HB ALA 15 0.059 -0.292 7.873 103 2HB ALA 15 2HB ALA 15 -0.821 -1.755 8.313 104 3HB ALA 15 3HB ALA 15 -0.937 -1.116 6.674 105 H ALA 16 H ALA 16 0.813 -1.961 4.572 106 HA ALA 16 HA ALA 16 -0.799 -4.262 4.085 107 1HB ALA 16 1HB ALA 16 0.744 -2.421 2.281 108 2HB ALA 16 2HB ALA 16 -1.000 -2.556 2.486 109 3HB ALA 16 3HB ALA 16 -0.108 -3.835 1.666 110 H ILE 17 H ILE 17 2.618 -3.712 4.357 111 HA ILE 17 HA ILE 17 3.375 -6.132 2.996 112 HB ILE 17 HB ILE 17 5.639 -5.699 3.900 113 1HG1 ILE 17 2HG1 ILE 17 4.341 -3.268 5.144 114 2HG1 ILE 17 1HG1 ILE 17 4.977 -4.652 6.025 115 1HG2 ILE 17 1HG2 ILE 17 5.013 -4.749 1.773 116 2HG2 ILE 17 2HG2 ILE 17 6.028 -3.606 2.653 117 3HG2 ILE 17 3HG2 ILE 17 4.284 -3.357 2.574 118 1HD1 ILE 17 1HD1 ILE 17 7.191 -4.104 5.491 119 2HD1 ILE 17 2HD1 ILE 17 6.422 -2.574 5.916 120 3HD1 ILE 17 3HD1 ILE 17 6.695 -2.984 4.222 121 H LYS 18 H LYS 18 2.782 -5.118 6.302 122 HA LYS 18 HA LYS 18 3.846 -7.313 7.667 123 1HB LYS 18 2HB LYS 18 2.293 -5.051 8.302 124 2HB LYS 18 1HB LYS 18 1.374 -6.436 8.876 125 1HG LYS 18 2HG LYS 18 3.456 -7.203 10.052 126 2HG LYS 18 1HG LYS 18 4.173 -5.645 9.634 127 1HD LYS 18 2HD LYS 18 3.322 -5.382 11.817 128 2HD LYS 18 1HD LYS 18 2.157 -4.585 10.759 129 1HE LYS 18 2HE LYS 18 0.908 -5.859 12.324 130 2HE LYS 18 1HE LYS 18 0.829 -6.717 10.786 131 1HZ LYS 18 1HZ LYS 18 2.075 -7.503 13.283 132 2HZ LYS 18 2HZ LYS 18 2.971 -7.852 11.891 133 3HZ LYS 18 3HZ LYS 18 1.402 -8.459 12.060 134 H GLU 19 H GLU 19 0.805 -6.884 5.974 135 HA GLU 19 HA GLU 19 -0.400 -9.305 6.852 136 1HB GLU 19 2HB GLU 19 -1.023 -7.156 4.999 137 2HB GLU 19 1HB GLU 19 -1.453 -8.723 4.327 138 1HG GLU 19 2HG GLU 19 -3.363 -7.899 5.445 139 2HG GLU 19 1HG GLU 19 -2.699 -9.188 6.448 140 H LEU 20 H LEU 20 1.614 -8.394 4.112 141 HA LEU 20 HA LEU 20 1.442 -10.793 2.673 142 1HB LEU 20 2HB LEU 20 2.921 -8.378 2.526 143 2HB LEU 20 1HB LEU 20 4.075 -9.697 2.458 144 HG LEU 20 HG LEU 20 2.100 -10.494 0.707 145 1HD1 LEU 20 1HD1 LEU 20 2.226 -8.308 -0.802 146 2HD1 LEU 20 2HD1 LEU 20 2.257 -7.541 0.787 147 3HD1 LEU 20 3HD1 LEU 20 0.915 -8.594 0.342 148 1HD2 LEU 20 1HD2 LEU 20 3.784 -10.530 -0.819 149 2HD2 LEU 20 2HD2 LEU 20 4.731 -10.364 0.657 150 3HD2 LEU 20 3HD2 LEU 20 4.399 -8.948 -0.342 151 H LYS 21 H LYS 21 3.330 -9.839 5.449 152 HA LYS 21 HA LYS 21 4.983 -12.205 5.417 153 1HB LYS 21 2HB LYS 21 5.926 -10.163 6.315 154 2HB LYS 21 1HB LYS 21 4.607 -10.013 7.469 155 1HG LYS 21 2HG LYS 21 6.335 -12.444 7.526 156 2HG LYS 21 1HG LYS 21 6.926 -10.932 8.221 157 1HD LYS 21 2HD LYS 21 4.204 -11.511 9.042 158 2HD LYS 21 1HD LYS 21 5.311 -12.816 9.470 159 1HE LYS 21 2HE LYS 21 6.392 -10.168 10.026 160 2HE LYS 21 1HE LYS 21 4.897 -10.500 10.901 161 1HZ LYS 21 1HZ LYS 21 7.156 -11.186 11.919 162 2HZ LYS 21 2HZ LYS 21 7.048 -12.509 10.872 163 3HZ LYS 21 3HZ LYS 21 5.843 -12.248 12.030 164 H GLN 22 H GLN 22 2.140 -11.009 7.120 165 HA GLN 22 HA GLN 22 1.973 -13.212 8.931 166 1HB GLN 22 2HB GLN 22 0.957 -10.984 9.365 167 2HB GLN 22 1HB GLN 22 -0.201 -11.291 8.079 168 1HG GLN 22 2HG GLN 22 -0.517 -13.504 9.619 169 2HG GLN 22 1HG GLN 22 -0.127 -12.283 10.832 170 1HE2 GLN 22 1HE2 GLN 22 -2.233 -12.446 11.666 171 2HE2 GLN 22 2HE2 GLN 22 -3.578 -11.715 10.866 172 H TYR 23 H TYR 23 0.887 -12.594 5.692 173 HA TYR 23 HA TYR 23 -0.944 -14.841 5.660 174 1HB TYR 23 2HB TYR 23 -0.047 -12.868 3.559 175 2HB TYR 23 1HB TYR 23 -1.077 -14.247 3.182 176 HD1 TYR 23 1HD TYR 23 -3.008 -14.387 5.265 177 HD2 TYR 23 2HD TYR 23 -1.255 -10.930 3.520 178 HE1 TYR 23 1HE TYR 23 -4.984 -13.073 5.898 179 HE2 TYR 23 2HE TYR 23 -3.222 -9.607 4.144 180 HH TYR 23 HH TYR 23 -6.062 -10.735 4.830 181 H GLY 24 H GLY 24 2.263 -14.009 4.452 182 1HA GLY 24 2HA GLY 24 3.927 -15.770 4.367 183 2HA GLY 24 1HA GLY 24 2.659 -16.864 3.838 184 H ILE 25 H ILE 25 2.089 -14.041 2.208 185 HA ILE 25 HA ILE 25 2.788 -15.091 -0.285 186 HB ILE 25 HB ILE 25 2.909 -12.148 -0.189 187 1HG1 ILE 25 2HG1 ILE 25 0.397 -13.606 0.671 188 2HG1 ILE 25 1HG1 ILE 25 1.309 -12.436 1.620 189 1HG2 ILE 25 1HG2 ILE 25 0.880 -12.832 -1.844 190 2HG2 ILE 25 2HG2 ILE 25 1.841 -14.310 -1.861 191 3HG2 ILE 25 3HG2 ILE 25 2.581 -12.776 -2.315 192 1HD1 ILE 25 1HD1 ILE 25 0.794 -10.898 -0.475 193 2HD1 ILE 25 2HD1 ILE 25 -0.344 -11.083 0.861 194 3HD1 ILE 25 3HD1 ILE 25 -0.568 -12.004 -0.625 195 H GLY 26 H GLY 26 4.338 -13.828 -1.863 196 1HA GLY 26 2HA GLY 26 6.980 -14.161 -0.755 197 2HA GLY 26 1HA GLY 26 6.584 -13.771 -2.426 198 H ASP 27 H ASP 27 8.591 -12.639 -0.539 199 HA ASP 27 HA ASP 27 7.872 -10.090 0.346 200 1HB ASP 27 2HB ASP 27 10.441 -11.431 -0.352 201 2HB ASP 27 1HB ASP 27 10.453 -9.680 -0.183 202 H TYR 28 H TYR 28 8.459 -11.256 -2.857 203 HA TYR 28 HA TYR 28 9.289 -9.060 -4.282 204 1HB TYR 28 2HB TYR 28 8.326 -11.470 -5.017 205 2HB TYR 28 1HB TYR 28 6.922 -10.476 -5.395 206 HD1 TYR 28 1HD TYR 28 10.619 -10.114 -5.769 207 HD2 TYR 28 2HD TYR 28 6.792 -9.868 -7.599 208 HE1 TYR 28 1HE TYR 28 11.673 -9.378 -7.855 209 HE2 TYR 28 2HE TYR 28 7.832 -9.135 -9.697 210 HH TYR 28 HH TYR 28 9.884 -8.100 -10.476 211 H TYR 29 H TYR 29 6.023 -9.846 -3.271 212 HA TYR 29 HA TYR 29 4.879 -7.459 -4.306 213 1HB TYR 29 2HB TYR 29 3.630 -9.392 -2.351 214 2HB TYR 29 1HB TYR 29 2.801 -8.292 -3.446 215 HD1 TYR 29 1HD TYR 29 4.873 -8.805 -5.755 216 HD2 TYR 29 2HD TYR 29 2.508 -11.364 -3.298 217 HE1 TYR 29 1HE TYR 29 4.948 -10.547 -7.489 218 HE2 TYR 29 2HE TYR 29 2.565 -13.099 -5.038 219 HH TYR 29 HH TYR 29 4.706 -13.116 -7.546 220 H ILE 30 H ILE 30 6.382 -8.192 -1.265 221 HA ILE 30 HA ILE 30 5.083 -6.042 0.148 222 HB ILE 30 HB ILE 30 6.351 -6.552 1.972 223 1HG1 ILE 30 2HG1 ILE 30 8.667 -7.758 1.672 224 2HG1 ILE 30 1HG1 ILE 30 8.578 -7.064 0.057 225 1HG2 ILE 30 1HG2 ILE 30 6.963 -9.034 1.939 226 2HG2 ILE 30 2HG2 ILE 30 6.301 -9.020 0.306 227 3HG2 ILE 30 3HG2 ILE 30 5.287 -8.566 1.671 228 1HD1 ILE 30 1HD1 ILE 30 7.923 -4.936 1.609 229 2HD1 ILE 30 2HD1 ILE 30 9.538 -5.284 0.988 230 3HD1 ILE 30 3HD1 ILE 30 9.095 -5.782 2.622 231 H LYS 31 H LYS 31 7.884 -6.537 -1.829 232 HA LYS 31 HA LYS 31 9.017 -3.927 -1.384 233 1HB LYS 31 2HB LYS 31 9.682 -6.326 -3.013 234 2HB LYS 31 1HB LYS 31 10.350 -4.781 -3.521 235 1HG LYS 31 2HG LYS 31 11.984 -5.043 -2.052 236 2HG LYS 31 1HG LYS 31 10.795 -4.950 -0.752 237 1HD LYS 31 2HD LYS 31 10.454 -7.509 -1.497 238 2HD LYS 31 1HD LYS 31 12.153 -7.300 -1.927 239 1HE LYS 31 2HE LYS 31 11.211 -6.359 0.740 240 2HE LYS 31 1HE LYS 31 11.448 -8.086 0.483 241 1HZ LYS 31 1HZ LYS 31 13.671 -7.856 0.380 242 2HZ LYS 31 2HZ LYS 31 13.380 -6.445 1.267 243 3HZ LYS 31 3HZ LYS 31 13.608 -6.360 -0.407 244 H LEU 32 H LEU 32 7.399 -5.603 -4.086 245 HA LEU 32 HA LEU 32 7.445 -3.562 -5.929 246 1HB LEU 32 2HB LEU 32 6.205 -4.961 -7.181 247 2HB LEU 32 1HB LEU 32 6.395 -6.071 -5.846 248 HG LEU 32 HG LEU 32 4.122 -6.130 -6.388 249 1HD1 LEU 32 1HD1 LEU 32 3.584 -4.251 -4.300 250 2HD1 LEU 32 2HD1 LEU 32 5.061 -5.159 -3.957 251 3HD1 LEU 32 3HD1 LEU 32 3.541 -6.017 -4.261 252 1HD2 LEU 32 1HD2 LEU 32 3.568 -3.255 -6.053 253 2HD2 LEU 32 2HD2 LEU 32 2.876 -4.420 -7.181 254 3HD2 LEU 32 3HD2 LEU 32 4.449 -3.696 -7.516 255 H ILE 33 H ILE 33 5.765 -3.706 -2.976 256 HA ILE 33 HA ILE 33 3.704 -1.800 -3.567 257 HB ILE 33 HB ILE 33 4.732 -3.168 -1.112 258 1HG1 ILE 33 2HG1 ILE 33 2.063 -2.921 -2.494 259 2HG1 ILE 33 1HG1 ILE 33 3.088 -4.343 -2.376 260 1HG2 ILE 33 1HG2 ILE 33 4.305 -1.448 0.225 261 2HG2 ILE 33 2HG2 ILE 33 2.605 -1.617 -0.206 262 3HG2 ILE 33 3HG2 ILE 33 3.632 -0.499 -1.097 263 1HD1 ILE 33 1HD1 ILE 33 2.125 -4.963 -0.487 264 2HD1 ILE 33 2HD1 ILE 33 0.943 -3.682 -0.755 265 3HD1 ILE 33 3HD1 ILE 33 2.367 -3.374 0.239 266 H ASN 34 H ASN 34 6.639 -1.701 -1.543 267 HA ASN 34 HA ASN 34 6.617 0.976 -0.887 268 1HB ASN 34 2HB ASN 34 8.268 -1.065 -0.333 269 2HB ASN 34 1HB ASN 34 9.268 -0.208 -1.503 270 1HD2 ASN 34 1HD2 ASN 34 10.654 1.098 -0.579 271 2HD2 ASN 34 2HD2 ASN 34 10.393 2.019 0.859 272 H ASN 35 H ASN 35 7.333 -0.459 -3.955 273 HA ASN 35 HA ASN 35 8.888 1.639 -5.048 274 1HB ASN 35 2HB ASN 35 7.381 -0.689 -6.140 275 2HB ASN 35 1HB ASN 35 7.846 0.590 -7.258 276 1HD2 ASN 35 1HD2 ASN 35 8.947 -1.965 -5.204 277 2HD2 ASN 35 2HD2 ASN 35 10.586 -1.978 -5.747 278 H ALA 36 H ALA 36 5.501 1.292 -4.479 279 HA ALA 36 HA ALA 36 4.497 3.039 -6.445 280 1HB ALA 36 1HB ALA 36 3.489 1.930 -3.888 281 2HB ALA 36 2HB ALA 36 2.800 1.853 -5.509 282 3HB ALA 36 3HB ALA 36 2.657 3.333 -4.560 283 H LYS 37 H LYS 37 3.602 5.157 -6.146 284 HA LYS 37 HA LYS 37 5.318 6.818 -4.445 285 1HB LYS 37 2HB LYS 37 3.754 7.467 -6.950 286 2HB LYS 37 1HB LYS 37 4.612 8.660 -5.987 287 1HG LYS 37 2HG LYS 37 5.819 6.340 -7.467 288 2HG LYS 37 1HG LYS 37 5.953 8.043 -7.879 289 1HD LYS 37 2HD LYS 37 7.926 7.812 -6.777 290 2HD LYS 37 1HD LYS 37 6.896 8.145 -5.385 291 1HE LYS 37 2HE LYS 37 7.278 6.133 -4.523 292 2HE LYS 37 1HE LYS 37 6.891 5.339 -6.049 293 1HZ LYS 37 1HZ LYS 37 9.305 5.297 -4.957 294 2HZ LYS 37 2HZ LYS 37 9.465 6.675 -5.920 295 3HZ LYS 37 3HZ LYS 37 9.046 5.194 -6.627 296 H THR 38 H THR 38 1.983 6.247 -5.413 297 HA THR 38 HA THR 38 0.968 8.183 -3.496 298 HB THR 38 HB THR 38 -1.182 7.769 -4.443 299 HG1 THR 38 1HG THR 38 -1.646 5.794 -4.917 300 1HG2 THR 38 1HG2 THR 38 0.720 7.458 -6.749 301 2HG2 THR 38 2HG2 THR 38 0.361 8.985 -5.949 302 3HG2 THR 38 3HG2 THR 38 -0.917 8.111 -6.789 303 H VAL 39 H VAL 39 -1.452 6.397 -3.019 304 HA VAL 39 HA VAL 39 -0.248 4.334 -1.354 305 HB VAL 39 HB VAL 39 -0.696 6.589 -0.094 306 1HG1 VAL 39 1HG1 VAL 39 -2.822 6.689 0.986 307 2HG1 VAL 39 2HG1 VAL 39 -3.346 5.206 0.187 308 3HG1 VAL 39 3HG1 VAL 39 -3.082 6.672 -0.759 309 1HG2 VAL 39 1HG2 VAL 39 0.234 4.836 1.083 310 2HG2 VAL 39 2HG2 VAL 39 -1.128 3.769 0.750 311 3HG2 VAL 39 3HG2 VAL 39 -1.302 5.078 1.918 312 H GLU 40 H GLU 40 -3.265 5.771 -2.537 313 HA GLU 40 HA GLU 40 -5.104 3.890 -1.837 314 1HB GLU 40 2HB GLU 40 -5.124 6.037 -3.503 315 2HB GLU 40 1HB GLU 40 -5.309 4.722 -4.654 316 1HG GLU 40 2HG GLU 40 -7.195 3.895 -3.164 317 2HG GLU 40 1HG GLU 40 -7.097 5.463 -2.364 318 H GLY 41 H GLY 41 -2.872 3.689 -4.586 319 1HA GLY 41 2HA GLY 41 -3.872 1.098 -5.375 320 2HA GLY 41 1HA GLY 41 -2.488 1.939 -6.062 321 H VAL 42 H VAL 42 -1.333 2.329 -3.349 322 HA VAL 42 HA VAL 42 0.359 0.094 -3.291 323 HB VAL 42 HB VAL 42 -0.143 2.119 -1.116 324 1HG1 VAL 42 1HG1 VAL 42 1.889 -0.034 -1.511 325 2HG1 VAL 42 2HG1 VAL 42 0.982 0.395 -0.055 326 3HG1 VAL 42 3HG1 VAL 42 2.305 1.429 -0.615 327 1HG2 VAL 42 1HG2 VAL 42 0.865 3.566 -2.477 328 2HG2 VAL 42 2HG2 VAL 42 1.113 2.315 -3.691 329 3HG2 VAL 42 3HG2 VAL 42 2.308 2.560 -2.418 330 H GLU 43 H GLU 43 -2.307 0.995 -1.111 331 HA GLU 43 HA GLU 43 -2.056 -1.308 0.530 332 1HB GLU 43 2HB GLU 43 -4.586 -0.659 1.012 333 2HB GLU 43 1HB GLU 43 -3.253 0.297 1.643 334 1HG GLU 43 2HG GLU 43 -3.539 1.965 0.017 335 2HG GLU 43 1HG GLU 43 -4.592 0.942 -0.963 336 H SER 44 H SER 44 -4.298 -0.511 -2.111 337 HA SER 44 HA SER 44 -5.594 -3.033 -2.098 338 1HB SER 44 2HB SER 44 -6.047 -0.607 -3.317 339 2HB SER 44 1HB SER 44 -5.564 -1.628 -4.673 340 HG SER 44 HG SER 44 -7.641 -2.148 -2.809 341 H LEU 45 H LEU 45 -2.618 -1.881 -3.388 342 HA LEU 45 HA LEU 45 -2.160 -3.574 -5.542 343 1HB LEU 45 2HB LEU 45 -0.570 -1.966 -3.715 344 2HB LEU 45 1HB LEU 45 0.286 -3.406 -4.216 345 1HD1 LEU 45 1HD1 LEU 45 2.019 -2.136 -6.161 346 2HD1 LEU 45 2HD1 LEU 45 1.010 -2.723 -7.484 347 3HD1 LEU 45 3HD1 LEU 45 1.205 -3.696 -6.027 348 1HD2 LEU 45 1HD2 LEU 45 -2.156 -1.760 -6.270 349 2HD2 LEU 45 2HD2 LEU 45 -1.273 -2.804 -7.382 350 3HD2 LEU 45 3HD2 LEU 45 -1.049 -1.056 -7.448 351 H LYS 46 H LYS 46 -1.168 -4.121 -2.158 352 HA LYS 46 HA LYS 46 -0.464 -6.843 -2.630 353 1HB LYS 46 2HB LYS 46 0.675 -6.242 -0.785 354 2HB LYS 46 1HB LYS 46 -0.465 -4.974 -0.362 355 1HG LYS 46 2HG LYS 46 -1.168 -7.845 0.116 356 2HG LYS 46 1HG LYS 46 -0.096 -6.989 1.231 357 1HD LYS 46 2HD LYS 46 -1.874 -5.198 1.373 358 2HD LYS 46 1HD LYS 46 -2.942 -6.307 0.519 359 1HE LYS 46 2HE LYS 46 -3.183 -7.674 2.300 360 2HE LYS 46 1HE LYS 46 -1.536 -7.397 2.871 361 1HZ LYS 46 1HZ LYS 46 -2.719 -6.298 4.460 362 2HZ LYS 46 2HZ LYS 46 -3.976 -5.869 3.413 363 3HZ LYS 46 3HZ LYS 46 -2.509 -5.028 3.363 364 H ASN 47 H ASN 47 -3.286 -5.235 -1.198 365 HA ASN 47 HA ASN 47 -4.670 -7.546 -0.423 366 1HB ASN 47 2HB ASN 47 -5.168 -4.927 -0.126 367 2HB ASN 47 1HB ASN 47 -6.242 -5.241 -1.486 368 1HD2 ASN 47 1HD2 ASN 47 -5.438 -6.260 1.786 369 2HD2 ASN 47 2HD2 ASN 47 -7.015 -6.840 2.188 370 H GLU 48 H GLU 48 -4.214 -6.077 -3.531 371 HA GLU 48 HA GLU 48 -6.310 -7.574 -4.830 372 1HB GLU 48 2HB GLU 48 -5.577 -5.362 -5.672 373 2HB GLU 48 1HB GLU 48 -3.993 -6.037 -6.028 374 1HG GLU 48 2HG GLU 48 -5.776 -7.730 -7.315 375 2HG GLU 48 1HG GLU 48 -6.426 -6.112 -7.576 376 H ILE 49 H ILE 49 -2.841 -7.805 -4.380 377 HA ILE 49 HA ILE 49 -2.368 -9.964 -6.146 378 HB ILE 49 HB ILE 49 -0.255 -10.229 -5.105 379 1HG1 ILE 49 2HG1 ILE 49 -0.831 -8.479 -2.772 380 2HG1 ILE 49 1HG1 ILE 49 -1.422 -10.127 -2.705 381 1HG2 ILE 49 1HG2 ILE 49 -1.209 -7.682 -5.827 382 2HG2 ILE 49 2HG2 ILE 49 0.442 -8.295 -5.906 383 3HG2 ILE 49 3HG2 ILE 49 -0.121 -7.465 -4.456 384 1HD1 ILE 49 1HD1 ILE 49 0.915 -9.446 -1.770 385 2HD1 ILE 49 2HD1 ILE 49 1.393 -9.655 -3.453 386 3HD1 ILE 49 3HD1 ILE 49 0.665 -10.997 -2.574 387 H LEU 50 H LEU 50 -3.614 -9.698 -2.944 388 HA LEU 50 HA LEU 50 -3.381 -12.468 -2.268 389 1HB LEU 50 2HB LEU 50 -4.835 -10.127 -1.048 390 2HB LEU 50 1HB LEU 50 -4.901 -11.741 -0.361 391 HG LEU 50 HG LEU 50 -2.196 -10.679 -0.882 392 1HD1 LEU 50 1HD1 LEU 50 -2.264 -9.406 1.277 393 2HD1 LEU 50 2HD1 LEU 50 -4.023 -9.495 1.187 394 3HD1 LEU 50 3HD1 LEU 50 -3.116 -8.659 -0.074 395 1HD2 LEU 50 1HD2 LEU 50 -2.113 -11.596 1.596 396 2HD2 LEU 50 2HD2 LEU 50 -2.068 -12.678 0.202 397 3HD2 LEU 50 3HD2 LEU 50 -3.581 -12.427 1.078 398 H LYS 51 H LYS 51 -5.781 -10.391 -3.739 399 HA LYS 51 HA LYS 51 -8.017 -12.086 -3.486 400 1HB LYS 51 2HB LYS 51 -7.847 -9.624 -4.333 401 2HB LYS 51 1HB LYS 51 -7.564 -10.361 -5.904 402 1HG LYS 51 2HG LYS 51 -9.790 -10.258 -6.094 403 2HG LYS 51 1HG LYS 51 -9.766 -11.713 -5.095 404 1HD LYS 51 2HD LYS 51 -9.662 -9.195 -3.592 405 2HD LYS 51 1HD LYS 51 -11.150 -9.443 -4.506 406 1HE LYS 51 2HE LYS 51 -11.407 -11.649 -3.447 407 2HE LYS 51 1HE LYS 51 -9.946 -11.353 -2.506 408 1HZ LYS 51 1HZ LYS 51 -11.998 -10.881 -1.270 409 2HZ LYS 51 2HZ LYS 51 -12.395 -9.677 -2.390 410 3HZ LYS 51 3HZ LYS 51 -11.016 -9.511 -1.425 411 H ALA 52 H ALA 52 -5.185 -12.223 -5.426 412 HA ALA 52 HA ALA 52 -6.071 -14.737 -6.593 413 1HB ALA 52 1HB ALA 52 -5.033 -12.447 -8.260 414 2HB ALA 52 2HB ALA 52 -6.665 -13.114 -8.298 415 3HB ALA 52 3HB ALA 52 -5.302 -14.090 -8.842 416 H LEU 53 H LEU 53 -4.509 -15.348 -4.881 417 HA LEU 53 HA LEU 53 -1.713 -14.793 -5.477 418 1HB LEU 53 2HB LEU 53 -3.117 -15.174 -3.128 419 2HB LEU 53 1HB LEU 53 -2.248 -16.686 -3.324 420 HG LEU 53 HG LEU 53 -0.682 -14.191 -3.675 421 1HD1 LEU 53 1HD1 LEU 53 -2.083 -14.933 -1.179 422 2HD1 LEU 53 2HD1 LEU 53 -1.551 -13.354 -1.759 423 3HD1 LEU 53 3HD1 LEU 53 -0.388 -14.466 -1.037 424 1HD2 LEU 53 1HD2 LEU 53 1.063 -15.535 -3.234 425 2HD2 LEU 53 2HD2 LEU 53 -0.074 -16.833 -3.603 426 3HD2 LEU 53 3HD2 LEU 53 0.222 -16.369 -1.927 427 HA PRO 54 HA PRO 54 -1.684 -18.596 -7.927 428 1HB PRO 54 2HB PRO 54 1.170 -17.905 -8.227 429 2HB PRO 54 1HB PRO 54 -0.059 -18.165 -9.468 430 1HG PRO 54 2HG PRO 54 0.884 -15.716 -8.930 431 2HG PRO 54 1HG PRO 54 -0.814 -15.983 -9.368 432 1HD PRO 54 2HD PRO 54 0.397 -15.516 -6.669 433 2HD PRO 54 1HD PRO 54 -1.110 -14.874 -7.354 434 H THR 55 H THR 55 0.275 -20.330 -8.078 435 HA THR 55 HA THR 55 1.611 -20.780 -5.569 436 HB THR 55 HB THR 55 0.503 -23.010 -5.204 437 HG1 THR 55 1HG THR 55 -0.956 -23.636 -6.551 438 1HG2 THR 55 1HG2 THR 55 -0.148 -20.831 -4.003 439 2HG2 THR 55 2HG2 THR 55 -1.238 -22.215 -3.911 440 3HG2 THR 55 3HG2 THR 55 -1.589 -20.887 -5.018 441 H GLU 56 H GLU 56 2.338 -20.498 -8.352 442 HA GLU 56 HA GLU 56 3.714 -23.069 -8.694 443 1HB GLU 56 2HB GLU 56 1.874 -21.747 -10.565 444 2HB GLU 56 1HB GLU 56 3.405 -22.225 -11.282 445 1HG GLU 56 2HG GLU 56 1.666 -23.935 -11.526 446 2HG GLU 56 1HG GLU 56 3.060 -24.511 -10.612 Start of MODEL 7 1 1H MET 1 1HT MET 1 6.217 24.476 4.561 2 2H MET 1 2HT MET 1 4.541 24.353 4.224 3 3H MET 1 3HT MET 1 5.487 22.938 4.446 4 HA MET 1 HA MET 1 5.976 23.817 6.718 5 1HB MET 1 2HB MET 1 4.084 25.787 5.623 6 2HB MET 1 1HB MET 1 3.660 25.192 7.217 7 1HG MET 1 2HG MET 1 6.429 26.144 6.653 8 2HG MET 1 1HG MET 1 5.144 27.300 6.978 9 1HE MET 1 1HE MET 1 7.760 25.262 9.823 10 2HE MET 1 2HE MET 1 7.804 25.312 8.067 11 3HE MET 1 3HE MET 1 6.965 24.004 8.889 12 H GLU 2 H GLU 2 2.590 23.794 5.617 13 HA GLU 2 HA GLU 2 2.053 21.548 7.385 14 1HB GLU 2 2HB GLU 2 0.588 23.727 6.867 15 2HB GLU 2 1HB GLU 2 -0.070 22.666 5.631 16 1HG GLU 2 2HG GLU 2 -0.707 21.043 7.292 17 2HG GLU 2 1HG GLU 2 0.064 22.000 8.560 18 H ALA 3 H ALA 3 2.925 19.748 6.436 19 HA ALA 3 HA ALA 3 1.423 18.444 4.444 20 1HB ALA 3 1HB ALA 3 2.636 20.120 3.029 21 2HB ALA 3 2HB ALA 3 2.893 18.435 2.573 22 3HB ALA 3 3HB ALA 3 4.136 19.306 3.471 23 H VAL 4 H VAL 4 1.484 16.519 5.413 24 HA VAL 4 HA VAL 4 4.022 15.138 5.640 25 HB VAL 4 HB VAL 4 3.457 14.386 8.000 26 1HG1 VAL 4 1HG1 VAL 4 5.301 15.895 7.524 27 2HG1 VAL 4 2HG1 VAL 4 4.502 16.350 9.024 28 3HG1 VAL 4 3HG1 VAL 4 4.203 17.276 7.553 29 1HG2 VAL 4 1HG2 VAL 4 1.102 15.516 7.692 30 2HG2 VAL 4 2HG2 VAL 4 1.954 16.936 8.310 31 3HG2 VAL 4 3HG2 VAL 4 1.885 15.458 9.277 32 H ASP 5 H ASP 5 1.546 14.893 4.085 33 HA ASP 5 HA ASP 5 -0.108 12.848 5.002 34 1HB ASP 5 2HB ASP 5 -0.111 14.419 2.811 35 2HB ASP 5 1HB ASP 5 0.473 12.921 2.097 36 H ALA 6 H ALA 6 3.130 12.744 3.849 37 HA ALA 6 HA ALA 6 3.347 10.211 2.766 38 1HB ALA 6 1HB ALA 6 5.614 10.451 2.963 39 2HB ALA 6 2HB ALA 6 5.508 11.166 4.569 40 3HB ALA 6 3HB ALA 6 5.105 12.128 3.145 41 H ASN 7 H ASN 7 2.998 11.167 6.109 42 HA ASN 7 HA ASN 7 3.867 8.820 7.363 43 1HB ASN 7 2HB ASN 7 1.851 10.916 8.159 44 2HB ASN 7 1HB ASN 7 2.243 9.548 9.195 45 1HD2 ASN 7 1HD2 ASN 7 3.508 12.410 7.637 46 2HD2 ASN 7 2HD2 ASN 7 4.869 12.609 8.682 47 H SER 8 H SER 8 0.626 9.758 6.244 48 HA SER 8 HA SER 8 -0.608 7.323 7.024 49 1HB SER 8 2HB SER 8 -1.558 9.757 6.278 50 2HB SER 8 1HB SER 8 -1.827 8.839 4.796 51 HG SER 8 HG SER 8 -2.862 7.242 6.214 52 H LEU 9 H LEU 9 1.025 8.449 4.154 53 HA LEU 9 HA LEU 9 0.152 6.443 2.368 54 1HB LEU 9 2HB LEU 9 1.300 8.610 1.787 55 2HB LEU 9 1HB LEU 9 2.802 7.884 2.322 56 HG LEU 9 HG LEU 9 1.113 6.778 0.082 57 1HD1 LEU 9 1HD1 LEU 9 2.907 7.716 -1.374 58 2HD1 LEU 9 2HD1 LEU 9 3.484 8.616 0.028 59 3HD1 LEU 9 3HD1 LEU 9 1.869 8.920 -0.611 60 1HD2 LEU 9 1HD2 LEU 9 3.626 5.902 -0.335 61 2HD2 LEU 9 2HD2 LEU 9 2.397 4.991 0.544 62 3HD2 LEU 9 3HD2 LEU 9 3.589 5.947 1.428 63 H ALA 10 H ALA 10 3.001 6.715 4.460 64 HA ALA 10 HA ALA 10 4.231 4.306 3.676 65 1HB ALA 10 1HB ALA 10 5.647 5.804 4.734 66 2HB ALA 10 2HB ALA 10 5.385 4.571 5.969 67 3HB ALA 10 3HB ALA 10 4.513 6.102 6.051 68 H GLN 11 H GLN 11 1.534 4.899 5.726 69 HA GLN 11 HA GLN 11 1.784 2.468 7.244 70 1HB GLN 11 2HB GLN 11 0.712 4.291 8.340 71 2HB GLN 11 1HB GLN 11 -0.391 4.535 6.992 72 1HG GLN 11 2HG GLN 11 -1.367 2.332 7.452 73 2HG GLN 11 1HG GLN 11 -0.342 2.193 8.874 74 1HE2 GLN 11 1HE2 GLN 11 -1.962 2.157 10.363 75 2HE2 GLN 11 2HE2 GLN 11 -2.999 3.505 10.689 76 H ALA 12 H ALA 12 -0.144 3.601 4.499 77 HA ALA 12 HA ALA 12 -1.875 1.474 4.203 78 1HB ALA 12 1HB ALA 12 -0.617 2.461 1.722 79 2HB ALA 12 2HB ALA 12 -1.373 3.673 2.762 80 3HB ALA 12 3HB ALA 12 -2.325 2.319 2.150 81 H LYS 13 H LYS 13 1.496 1.761 3.303 82 HA LYS 13 HA LYS 13 1.575 -0.918 2.172 83 1HB LYS 13 2HB LYS 13 4.160 -0.220 2.210 84 2HB LYS 13 1HB LYS 13 3.056 0.278 0.944 85 1HG LYS 13 2HG LYS 13 2.899 2.434 1.729 86 2HG LYS 13 1HG LYS 13 3.445 1.984 3.351 87 1HD LYS 13 2HD LYS 13 5.652 2.015 2.758 88 2HD LYS 13 1HD LYS 13 5.319 1.523 1.096 89 1HE LYS 13 2HE LYS 13 5.233 3.635 0.379 90 2HE LYS 13 1HE LYS 13 4.222 4.137 1.732 91 1HZ LYS 13 1HZ LYS 13 7.001 3.598 2.370 92 2HZ LYS 13 2HZ LYS 13 5.989 4.844 2.903 93 3HZ LYS 13 3HZ LYS 13 6.730 4.948 1.387 94 H GLU 14 H GLU 14 3.223 0.835 4.819 95 HA GLU 14 HA GLU 14 4.574 -1.243 6.002 96 1HB GLU 14 2HB GLU 14 3.328 1.264 7.022 97 2HB GLU 14 1HB GLU 14 3.778 0.058 8.218 98 1HG GLU 14 2HG GLU 14 5.498 1.818 7.754 99 2HG GLU 14 1HG GLU 14 6.055 0.153 7.612 100 H ALA 15 H ALA 15 1.191 -0.418 6.128 101 HA ALA 15 HA ALA 15 0.551 -2.542 8.007 102 1HB ALA 15 1HB ALA 15 -1.576 -1.660 8.106 103 2HB ALA 15 2HB ALA 15 -1.524 -1.070 6.444 104 3HB ALA 15 3HB ALA 15 -0.627 -0.228 7.708 105 H ALA 16 H ALA 16 -0.039 -1.822 4.571 106 HA ALA 16 HA ALA 16 -1.492 -4.112 3.925 107 1HB ALA 16 1HB ALA 16 -1.466 -2.400 2.321 108 2HB ALA 16 2HB ALA 16 -0.563 -3.723 1.584 109 3HB ALA 16 3HB ALA 16 0.295 -2.348 2.277 110 H ILE 17 H ILE 17 1.931 -3.665 4.408 111 HA ILE 17 HA ILE 17 2.631 -6.194 3.209 112 HB ILE 17 HB ILE 17 4.898 -5.750 3.912 113 1HG1 ILE 17 2HG1 ILE 17 3.736 -3.399 5.423 114 2HG1 ILE 17 1HG1 ILE 17 4.475 -4.828 6.134 115 1HG2 ILE 17 1HG2 ILE 17 4.480 -4.669 1.916 116 2HG2 ILE 17 2HG2 ILE 17 5.094 -3.356 2.919 117 3HG2 ILE 17 3HG2 ILE 17 3.359 -3.522 2.649 118 1HD1 ILE 17 1HD1 ILE 17 6.617 -4.206 5.404 119 2HD1 ILE 17 2HD1 ILE 17 5.886 -2.733 6.041 120 3HD1 ILE 17 3HD1 ILE 17 5.976 -2.991 4.298 121 H LYS 18 H LYS 18 1.827 -4.976 6.368 122 HA LYS 18 HA LYS 18 2.912 -6.945 8.011 123 1HB LYS 18 2HB LYS 18 1.314 -4.774 8.411 124 2HB LYS 18 1HB LYS 18 0.170 -6.080 8.690 125 1HG LYS 18 2HG LYS 18 1.041 -5.606 10.798 126 2HG LYS 18 1HG LYS 18 1.922 -7.044 10.277 127 1HD LYS 18 2HD LYS 18 3.682 -5.785 10.994 128 2HD LYS 18 1HD LYS 18 3.591 -5.209 9.328 129 1HE LYS 18 2HE LYS 18 3.750 -3.259 10.608 130 2HE LYS 18 1HE LYS 18 2.032 -3.396 10.233 131 1HZ LYS 18 1HZ LYS 18 3.407 -3.874 12.795 132 2HZ LYS 18 2HZ LYS 18 1.916 -4.606 12.482 133 3HZ LYS 18 3HZ LYS 18 2.049 -2.921 12.474 134 H GLU 19 H GLU 19 0.184 -7.021 5.856 135 HA GLU 19 HA GLU 19 -0.733 -9.597 6.834 136 1HB GLU 19 2HB GLU 19 -1.886 -7.480 5.342 137 2HB GLU 19 1HB GLU 19 -1.865 -8.886 4.284 138 1HG GLU 19 2HG GLU 19 -3.589 -9.775 5.345 139 2HG GLU 19 1HG GLU 19 -2.764 -9.645 6.898 140 H LEU 20 H LEU 20 1.146 -8.229 4.252 141 HA LEU 20 HA LEU 20 1.287 -10.534 2.611 142 1HB LEU 20 2HB LEU 20 1.899 -8.031 2.151 143 2HB LEU 20 1HB LEU 20 3.475 -8.503 2.755 144 HG LEU 20 HG LEU 20 2.669 -10.431 0.824 145 1HD1 LEU 20 1HD1 LEU 20 2.614 -7.630 -0.273 146 2HD1 LEU 20 2HD1 LEU 20 1.161 -8.572 0.062 147 3HD1 LEU 20 3HD1 LEU 20 2.322 -9.138 -1.135 148 1HD2 LEU 20 1HD2 LEU 20 4.962 -9.762 1.514 149 2HD2 LEU 20 2HD2 LEU 20 4.737 -8.266 0.611 150 3HD2 LEU 20 3HD2 LEU 20 4.720 -9.813 -0.232 151 H LYS 21 H LYS 21 3.034 -9.420 5.418 152 HA LYS 21 HA LYS 21 5.085 -11.451 5.147 153 1HB LYS 21 2HB LYS 21 6.040 -10.508 7.169 154 2HB LYS 21 1HB LYS 21 5.659 -9.220 6.035 155 1HG LYS 21 2HG LYS 21 4.785 -8.257 7.868 156 2HG LYS 21 1HG LYS 21 3.387 -9.251 7.455 157 1HD LYS 21 2HD LYS 21 4.195 -10.998 8.983 158 2HD LYS 21 1HD LYS 21 5.568 -9.975 9.411 159 1HE LYS 21 2HE LYS 21 3.456 -8.296 9.834 160 2HE LYS 21 1HE LYS 21 2.776 -9.857 10.294 161 1HZ LYS 21 1HZ LYS 21 4.146 -8.344 11.966 162 2HZ LYS 21 2HZ LYS 21 5.432 -9.233 11.318 163 3HZ LYS 21 3HZ LYS 21 4.143 -10.034 12.066 164 H GLN 22 H GLN 22 2.153 -10.855 6.998 165 HA GLN 22 HA GLN 22 2.568 -13.060 8.788 166 1HB GLN 22 2HB GLN 22 0.552 -12.482 9.766 167 2HB GLN 22 1HB GLN 22 1.065 -10.944 9.089 168 1HG GLN 22 2HG GLN 22 -0.377 -11.449 7.101 169 2HG GLN 22 1HG GLN 22 -1.000 -12.835 7.993 170 1HE2 GLN 22 1HE2 GLN 22 -0.245 -9.485 8.896 171 2HE2 GLN 22 2HE2 GLN 22 -1.801 -9.133 9.559 172 H TYR 23 H TYR 23 1.159 -12.610 5.651 173 HA TYR 23 HA TYR 23 -0.268 -15.103 5.600 174 1HB TYR 23 2HB TYR 23 0.314 -12.912 3.663 175 2HB TYR 23 1HB TYR 23 -0.126 -14.491 3.011 176 HD1 TYR 23 1HD TYR 23 -2.164 -15.473 4.782 177 HD2 TYR 23 2HD TYR 23 -1.478 -11.498 3.443 178 HE1 TYR 23 1HE TYR 23 -4.539 -14.954 5.127 179 HE2 TYR 23 2HE TYR 23 -3.847 -10.965 3.782 180 HH TYR 23 HH TYR 23 -5.755 -11.742 5.022 181 H GLY 24 H GLY 24 2.812 -13.885 4.384 182 1HA GLY 24 2HA GLY 24 4.723 -15.370 4.342 183 2HA GLY 24 1HA GLY 24 3.631 -16.680 3.920 184 H ILE 25 H ILE 25 2.584 -14.091 2.176 185 HA ILE 25 HA ILE 25 3.186 -15.088 -0.311 186 HB ILE 25 HB ILE 25 3.262 -12.169 -0.387 187 1HG1 ILE 25 2HG1 ILE 25 0.986 -13.519 1.082 188 2HG1 ILE 25 1HG1 ILE 25 2.040 -12.249 1.698 189 1HG2 ILE 25 1HG2 ILE 25 1.126 -14.038 -1.373 190 2HG2 ILE 25 2HG2 ILE 25 2.662 -13.810 -2.210 191 3HG2 ILE 25 3HG2 ILE 25 1.562 -12.448 -1.998 192 1HD1 ILE 25 1HD1 ILE 25 0.046 -11.168 1.171 193 2HD1 ILE 25 2HD1 ILE 25 -0.137 -12.048 -0.347 194 3HD1 ILE 25 3HD1 ILE 25 1.109 -10.811 -0.190 195 H GLY 26 H GLY 26 4.603 -13.945 -2.043 196 1HA GLY 26 2HA GLY 26 7.308 -14.266 -1.235 197 2HA GLY 26 1HA GLY 26 6.754 -13.720 -2.813 198 H ASP 27 H ASP 27 8.987 -12.799 -1.120 199 HA ASP 27 HA ASP 27 8.432 -10.324 0.066 200 1HB ASP 27 2HB ASP 27 10.881 -11.651 -1.002 201 2HB ASP 27 1HB ASP 27 10.958 -9.924 -0.664 202 H TYR 28 H TYR 28 8.641 -11.264 -3.232 203 HA TYR 28 HA TYR 28 9.409 -9.017 -4.609 204 1HB TYR 28 2HB TYR 28 8.358 -11.367 -5.365 205 2HB TYR 28 1HB TYR 28 6.920 -10.364 -5.539 206 HD1 TYR 28 1HD TYR 28 6.558 -9.841 -7.745 207 HD2 TYR 28 2HD TYR 28 10.537 -9.776 -6.249 208 HE1 TYR 28 1HE TYR 28 7.352 -9.007 -9.914 209 HE2 TYR 28 2HE TYR 28 11.344 -8.945 -8.409 210 HH TYR 28 HH TYR 28 10.219 -7.582 -10.400 211 H TYR 29 H TYR 29 6.247 -9.749 -3.277 212 HA TYR 29 HA TYR 29 4.973 -7.403 -4.209 213 1HB TYR 29 2HB TYR 29 4.058 -9.180 -1.953 214 2HB TYR 29 1HB TYR 29 3.061 -8.202 -3.029 215 HD1 TYR 29 1HD TYR 29 3.005 -11.298 -2.496 216 HD2 TYR 29 2HD TYR 29 4.673 -8.859 -5.572 217 HE1 TYR 29 1HE TYR 29 2.868 -13.190 -4.062 218 HE2 TYR 29 2HE TYR 29 4.544 -10.754 -7.139 219 HH TYR 29 HH TYR 29 3.338 -12.824 -7.435 220 H ILE 30 H ILE 30 6.032 -8.276 -0.879 221 HA ILE 30 HA ILE 30 5.257 -5.915 0.360 222 HB ILE 30 HB ILE 30 6.187 -7.768 1.620 223 1HG1 ILE 30 2HG1 ILE 30 6.331 -5.392 2.496 224 2HG1 ILE 30 1HG1 ILE 30 7.419 -6.552 3.243 225 1HG2 ILE 30 1HG2 ILE 30 8.652 -8.137 1.625 226 2HG2 ILE 30 2HG2 ILE 30 8.741 -7.086 0.211 227 3HG2 ILE 30 3HG2 ILE 30 7.821 -8.587 0.135 228 1HD1 ILE 30 1HD1 ILE 30 9.059 -5.127 2.849 229 2HD1 ILE 30 2HD1 ILE 30 8.007 -4.107 1.869 230 3HD1 ILE 30 3HD1 ILE 30 8.860 -5.459 1.129 231 H LYS 31 H LYS 31 7.823 -6.561 -1.866 232 HA LYS 31 HA LYS 31 9.125 -4.003 -1.526 233 1HB LYS 31 2HB LYS 31 9.526 -6.276 -3.462 234 2HB LYS 31 1HB LYS 31 10.492 -4.806 -3.478 235 1HG LYS 31 2HG LYS 31 10.277 -6.458 -0.994 236 2HG LYS 31 1HG LYS 31 11.412 -6.890 -2.277 237 1HD LYS 31 2HD LYS 31 12.775 -5.543 -1.050 238 2HD LYS 31 1HD LYS 31 12.022 -4.308 -2.060 239 1HE LYS 31 2HE LYS 31 10.257 -4.543 0.031 240 2HE LYS 31 1HE LYS 31 11.819 -4.765 0.818 241 1HZ LYS 31 1HZ LYS 31 12.473 -2.680 -0.517 242 2HZ LYS 31 2HZ LYS 31 11.527 -2.492 0.872 243 3HZ LYS 31 3HZ LYS 31 10.807 -2.424 -0.656 244 H LEU 32 H LEU 32 7.299 -5.673 -4.091 245 HA LEU 32 HA LEU 32 7.279 -3.629 -5.945 246 1HB LEU 32 2HB LEU 32 6.054 -5.075 -7.147 247 2HB LEU 32 1HB LEU 32 6.233 -6.156 -5.789 248 HG LEU 32 HG LEU 32 3.959 -6.196 -6.345 249 1HD1 LEU 32 1HD1 LEU 32 3.385 -4.336 -4.275 250 2HD1 LEU 32 2HD1 LEU 32 4.907 -5.162 -3.923 251 3HD1 LEU 32 3HD1 LEU 32 3.434 -6.100 -4.204 252 1HD2 LEU 32 1HD2 LEU 32 2.759 -4.489 -7.187 253 2HD2 LEU 32 2HD2 LEU 32 4.333 -3.741 -7.452 254 3HD2 LEU 32 3HD2 LEU 32 3.395 -3.336 -6.016 255 H ILE 33 H ILE 33 5.763 -3.755 -2.919 256 HA ILE 33 HA ILE 33 3.639 -1.890 -3.440 257 HB ILE 33 HB ILE 33 4.779 -3.212 -1.002 258 1HG1 ILE 33 2HG1 ILE 33 2.142 -3.170 -2.444 259 2HG1 ILE 33 1HG1 ILE 33 3.203 -4.539 -2.132 260 1HG2 ILE 33 1HG2 ILE 33 4.158 -1.628 0.415 261 2HG2 ILE 33 2HG2 ILE 33 2.521 -1.657 -0.233 262 3HG2 ILE 33 3HG2 ILE 33 3.725 -0.588 -0.938 263 1HD1 ILE 33 1HD1 ILE 33 2.353 -3.427 0.357 264 2HD1 ILE 33 2HD1 ILE 33 2.065 -5.034 -0.308 265 3HD1 ILE 33 3HD1 ILE 33 0.953 -3.715 -0.675 266 H ASN 34 H ASN 34 6.634 -1.749 -1.507 267 HA ASN 34 HA ASN 34 6.586 0.936 -0.874 268 1HB ASN 34 2HB ASN 34 8.356 -1.168 -0.528 269 2HB ASN 34 1HB ASN 34 9.284 -0.001 -1.465 270 1HD2 ASN 34 1HD2 ASN 34 7.247 -0.304 1.404 271 2HD2 ASN 34 2HD2 ASN 34 8.061 0.909 2.327 272 H ASN 35 H ASN 35 7.247 -0.524 -3.941 273 HA ASN 35 HA ASN 35 8.737 1.626 -5.063 274 1HB ASN 35 2HB ASN 35 7.348 -0.786 -6.170 275 2HB ASN 35 1HB ASN 35 7.939 0.462 -7.262 276 1HD2 ASN 35 1HD2 ASN 35 9.898 0.156 -8.007 277 2HD2 ASN 35 2HD2 ASN 35 11.157 -0.740 -7.236 278 H ALA 36 H ALA 36 5.342 1.050 -4.620 279 HA ALA 36 HA ALA 36 4.214 2.533 -6.660 280 1HB ALA 36 1HB ALA 36 2.415 1.820 -5.586 281 2HB ALA 36 2HB ALA 36 2.667 3.096 -4.393 282 3HB ALA 36 3HB ALA 36 3.359 1.496 -4.132 283 H LYS 37 H LYS 37 3.598 4.657 -6.943 284 HA LYS 37 HA LYS 37 5.178 6.601 -5.413 285 1HB LYS 37 2HB LYS 37 3.738 7.180 -7.990 286 2HB LYS 37 1HB LYS 37 5.118 8.011 -7.288 287 1HG LYS 37 2HG LYS 37 6.233 6.856 -8.865 288 2HG LYS 37 1HG LYS 37 6.211 5.600 -7.628 289 1HD LYS 37 2HD LYS 37 3.830 5.167 -8.857 290 2HD LYS 37 1HD LYS 37 4.806 5.746 -10.207 291 1HE LYS 37 2HE LYS 37 5.620 3.521 -8.343 292 2HE LYS 37 1HE LYS 37 4.848 3.274 -9.908 293 1HZ LYS 37 1HZ LYS 37 7.478 3.319 -9.568 294 2HZ LYS 37 2HZ LYS 37 7.218 4.956 -9.905 295 3HZ LYS 37 3HZ LYS 37 6.728 3.777 -11.014 296 H THR 38 H THR 38 2.420 5.354 -4.833 297 HA THR 38 HA THR 38 1.191 7.840 -3.950 298 HB THR 38 HB THR 38 -0.964 7.359 -4.861 299 HG1 THR 38 1HG THR 38 -1.389 5.446 -5.974 300 1HG2 THR 38 1HG2 THR 38 1.117 6.849 -6.968 301 2HG2 THR 38 2HG2 THR 38 0.381 8.392 -6.534 302 3HG2 THR 38 3HG2 THR 38 -0.590 7.137 -7.303 303 H VAL 39 H VAL 39 -1.282 6.248 -3.225 304 HA VAL 39 HA VAL 39 -0.132 4.370 -1.320 305 HB VAL 39 HB VAL 39 -0.533 6.764 -0.341 306 1HG1 VAL 39 1HG1 VAL 39 -2.905 6.873 -0.976 307 2HG1 VAL 39 2HG1 VAL 39 -2.658 6.982 0.769 308 3HG1 VAL 39 3HG1 VAL 39 -3.217 5.472 0.047 309 1HG2 VAL 39 1HG2 VAL 39 0.355 5.231 1.088 310 2HG2 VAL 39 2HG2 VAL 39 -0.901 4.046 0.754 311 3HG2 VAL 39 3HG2 VAL 39 -1.245 5.412 1.812 312 H GLU 40 H GLU 40 -3.154 5.730 -2.604 313 HA GLU 40 HA GLU 40 -4.938 3.843 -1.702 314 1HB GLU 40 2HB GLU 40 -5.257 5.966 -3.216 315 2HB GLU 40 1HB GLU 40 -5.157 4.798 -4.526 316 1HG GLU 40 2HG GLU 40 -6.970 3.911 -2.462 317 2HG GLU 40 1HG GLU 40 -7.409 5.501 -3.070 318 H GLY 41 H GLY 41 -2.723 3.614 -4.428 319 1HA GLY 41 2HA GLY 41 -3.745 1.030 -5.232 320 2HA GLY 41 1HA GLY 41 -2.353 1.862 -5.912 321 H VAL 42 H VAL 42 -1.206 2.269 -3.202 322 HA VAL 42 HA VAL 42 0.498 0.062 -3.111 323 HB VAL 42 HB VAL 42 -0.118 1.947 -0.839 324 1HG1 VAL 42 1HG1 VAL 42 1.918 -0.144 -1.349 325 2HG1 VAL 42 2HG1 VAL 42 1.115 0.312 0.158 326 3HG1 VAL 42 3HG1 VAL 42 2.423 1.313 -0.488 327 1HG2 VAL 42 1HG2 VAL 42 2.212 2.216 -2.687 328 2HG2 VAL 42 2HG2 VAL 42 1.448 3.431 -1.670 329 3HG2 VAL 42 3HG2 VAL 42 0.650 2.891 -3.146 330 H GLU 43 H GLU 43 -2.178 0.883 -0.907 331 HA GLU 43 HA GLU 43 -1.964 -1.505 0.609 332 1HB GLU 43 2HB GLU 43 -4.451 -0.836 1.183 333 2HB GLU 43 1HB GLU 43 -3.099 0.112 1.788 334 1HG GLU 43 2HG GLU 43 -3.442 1.813 0.216 335 2HG GLU 43 1HG GLU 43 -4.500 0.802 -0.770 336 H SER 44 H SER 44 -4.166 -0.535 -2.000 337 HA SER 44 HA SER 44 -5.584 -2.982 -2.080 338 1HB SER 44 2HB SER 44 -6.750 -2.056 -3.839 339 2HB SER 44 1HB SER 44 -6.082 -0.588 -3.122 340 HG SER 44 HG SER 44 -5.170 -2.003 -5.398 341 H LEU 45 H LEU 45 -2.530 -1.969 -3.293 342 HA LEU 45 HA LEU 45 -2.162 -3.668 -5.475 343 1HB LEU 45 2HB LEU 45 -0.470 -2.142 -3.639 344 2HB LEU 45 1HB LEU 45 0.321 -3.561 -4.284 345 1HD1 LEU 45 1HD1 LEU 45 1.215 -3.699 -6.071 346 2HD1 LEU 45 2HD1 LEU 45 1.941 -2.111 -6.324 347 3HD1 LEU 45 3HD1 LEU 45 0.830 -2.773 -7.522 348 1HD2 LEU 45 1HD2 LEU 45 -1.173 -1.003 -7.276 349 2HD2 LEU 45 2HD2 LEU 45 -2.212 -1.790 -6.091 350 3HD2 LEU 45 3HD2 LEU 45 -1.389 -2.752 -7.316 351 H LYS 46 H LYS 46 -1.060 -4.244 -2.119 352 HA LYS 46 HA LYS 46 -0.409 -6.959 -2.640 353 1HB LYS 46 2HB LYS 46 0.781 -6.397 -0.819 354 2HB LYS 46 1HB LYS 46 -0.343 -5.138 -0.334 355 1HG LYS 46 2HG LYS 46 -1.035 -8.023 0.109 356 2HG LYS 46 1HG LYS 46 0.076 -7.189 1.202 357 1HD LYS 46 2HD LYS 46 -1.678 -5.410 1.478 358 2HD LYS 46 1HD LYS 46 -2.784 -6.458 0.594 359 1HE LYS 46 2HE LYS 46 -2.937 -7.972 2.292 360 2HE LYS 46 1HE LYS 46 -1.324 -7.608 2.906 361 1HZ LYS 46 1HZ LYS 46 -2.092 -5.934 4.186 362 2HZ LYS 46 2HZ LYS 46 -3.537 -6.809 4.109 363 3HZ LYS 46 3HZ LYS 46 -3.300 -5.478 3.093 364 H ASN 47 H ASN 47 -3.198 -5.405 -1.067 365 HA ASN 47 HA ASN 47 -4.527 -7.774 -0.356 366 1HB ASN 47 2HB ASN 47 -5.104 -5.395 0.363 367 2HB ASN 47 1HB ASN 47 -5.918 -5.220 -1.189 368 1HD2 ASN 47 1HD2 ASN 47 -7.996 -5.636 -1.184 369 2HD2 ASN 47 2HD2 ASN 47 -8.831 -6.660 -0.070 370 H GLU 48 H GLU 48 -4.188 -6.150 -3.399 371 HA GLU 48 HA GLU 48 -6.333 -7.578 -4.693 372 1HB GLU 48 2HB GLU 48 -5.690 -5.371 -5.520 373 2HB GLU 48 1HB GLU 48 -4.058 -5.942 -5.839 374 1HG GLU 48 2HG GLU 48 -4.751 -7.271 -7.636 375 2HG GLU 48 1HG GLU 48 -6.445 -7.184 -7.157 376 H ILE 49 H ILE 49 -2.859 -7.858 -4.346 377 HA ILE 49 HA ILE 49 -2.471 -9.956 -6.213 378 HB ILE 49 HB ILE 49 -0.313 -10.269 -5.258 379 1HG1 ILE 49 2HG1 ILE 49 -0.655 -8.496 -2.929 380 2HG1 ILE 49 1HG1 ILE 49 -1.447 -10.055 -2.800 381 1HG2 ILE 49 1HG2 ILE 49 -0.192 -7.482 -4.612 382 2HG2 ILE 49 2HG2 ILE 49 -1.255 -7.745 -5.994 383 3HG2 ILE 49 3HG2 ILE 49 0.408 -8.330 -6.037 384 1HD1 ILE 49 1HD1 ILE 49 0.665 -11.161 -3.182 385 2HD1 ILE 49 2HD1 ILE 49 0.759 -10.046 -1.816 386 3HD1 ILE 49 3HD1 ILE 49 1.459 -9.597 -3.371 387 H LEU 50 H LEU 50 -3.598 -9.783 -2.962 388 HA LEU 50 HA LEU 50 -3.363 -12.596 -2.412 389 1HB LEU 50 2HB LEU 50 -4.687 -10.296 -0.978 390 2HB LEU 50 1HB LEU 50 -4.707 -11.942 -0.366 391 HG LEU 50 HG LEU 50 -2.038 -10.873 -1.024 392 1HD1 LEU 50 1HD1 LEU 50 -1.929 -9.641 1.137 393 2HD1 LEU 50 2HD1 LEU 50 -3.687 -9.755 1.229 394 3HD1 LEU 50 3HD1 LEU 50 -2.928 -8.871 -0.095 395 1HD2 LEU 50 1HD2 LEU 50 -1.877 -12.907 -0.004 396 2HD2 LEU 50 2HD2 LEU 50 -3.312 -12.650 0.989 397 3HD2 LEU 50 3HD2 LEU 50 -1.795 -11.858 1.411 398 H LYS 51 H LYS 51 -5.806 -10.365 -3.559 399 HA LYS 51 HA LYS 51 -8.058 -12.029 -3.248 400 1HB LYS 51 2HB LYS 51 -8.177 -9.607 -3.772 401 2HB LYS 51 1HB LYS 51 -7.548 -9.941 -5.380 402 1HG LYS 51 2HG LYS 51 -9.566 -11.476 -5.660 403 2HG LYS 51 1HG LYS 51 -10.210 -10.686 -4.220 404 1HD LYS 51 2HD LYS 51 -11.117 -9.427 -5.948 405 2HD LYS 51 1HD LYS 51 -9.696 -8.488 -5.484 406 1HE LYS 51 2HE LYS 51 -8.679 -10.200 -7.364 407 2HE LYS 51 1HE LYS 51 -10.300 -9.884 -7.983 408 1HZ LYS 51 1HZ LYS 51 -8.598 -8.306 -8.787 409 2HZ LYS 51 2HZ LYS 51 -8.374 -7.765 -7.200 410 3HZ LYS 51 3HZ LYS 51 -9.868 -7.548 -7.965 411 H ALA 52 H ALA 52 -5.380 -12.133 -5.383 412 HA ALA 52 HA ALA 52 -6.465 -14.497 -6.675 413 1HB ALA 52 1HB ALA 52 -5.449 -12.132 -8.249 414 2HB ALA 52 2HB ALA 52 -7.117 -12.707 -8.189 415 3HB ALA 52 3HB ALA 52 -5.865 -13.709 -8.924 416 H LEU 53 H LEU 53 -4.672 -14.849 -4.868 417 HA LEU 53 HA LEU 53 -1.980 -14.410 -5.408 418 1HB LEU 53 2HB LEU 53 -3.536 -15.969 -3.567 419 2HB LEU 53 1HB LEU 53 -2.179 -16.923 -4.134 420 HG LEU 53 HG LEU 53 -1.755 -14.136 -3.111 421 1HD1 LEU 53 1HD1 LEU 53 -3.063 -15.596 -1.469 422 2HD1 LEU 53 2HD1 LEU 53 -1.568 -14.857 -0.896 423 3HD1 LEU 53 3HD1 LEU 53 -1.590 -16.560 -1.353 424 1HD2 LEU 53 1HD2 LEU 53 -0.115 -16.484 -3.813 425 2HD2 LEU 53 2HD2 LEU 53 0.376 -15.599 -2.368 426 3HD2 LEU 53 3HD2 LEU 53 0.257 -14.763 -3.916 427 HA PRO 54 HA PRO 54 -1.719 -18.805 -7.469 428 1HB PRO 54 2HB PRO 54 -4.134 -19.848 -8.279 429 2HB PRO 54 1HB PRO 54 -3.317 -20.278 -6.772 430 1HG PRO 54 2HG PRO 54 -5.547 -18.340 -7.235 431 2HG PRO 54 1HG PRO 54 -5.325 -19.501 -5.911 432 1HD PRO 54 2HD PRO 54 -4.801 -16.887 -5.597 433 2HD PRO 54 1HD PRO 54 -3.821 -18.134 -4.799 434 H THR 55 H THR 55 -1.157 -18.785 -9.561 435 HA THR 55 HA THR 55 -1.858 -16.680 -11.262 436 HB THR 55 HB THR 55 -0.842 -19.321 -12.280 437 HG1 THR 55 1HG THR 55 0.548 -17.396 -10.744 438 1HG2 THR 55 1HG2 THR 55 0.728 -17.608 -13.462 439 2HG2 THR 55 2HG2 THR 55 -0.578 -16.477 -13.108 440 3HG2 THR 55 3HG2 THR 55 -0.894 -17.914 -14.081 441 H GLU 56 H GLU 56 -3.531 -16.341 -12.570 442 HA GLU 56 HA GLU 56 -5.341 -18.598 -13.119 443 1HB GLU 56 2HB GLU 56 -5.919 -15.639 -12.914 444 2HB GLU 56 1HB GLU 56 -7.093 -16.837 -13.439 445 1HG GLU 56 2HG GLU 56 -6.297 -17.920 -11.098 446 2HG GLU 56 1HG GLU 56 -6.107 -16.203 -10.748 Start of MODEL 8 1 1H MET 1 1HT MET 1 -5.368 12.717 9.815 2 2H MET 1 2HT MET 1 -5.195 11.925 8.302 3 3H MET 1 3HT MET 1 -6.354 11.365 9.435 4 HA MET 1 HA MET 1 -7.582 12.514 7.911 5 1HB MET 1 2HB MET 1 -6.948 13.875 10.461 6 2HB MET 1 1HB MET 1 -7.833 14.834 9.280 7 1HG MET 1 2HG MET 1 -9.729 13.717 9.634 8 2HG MET 1 1HG MET 1 -8.918 12.147 9.611 9 1HE MET 1 1HE MET 1 -7.200 11.950 12.809 10 2HE MET 1 2HE MET 1 -7.611 11.242 11.248 11 3HE MET 1 3HE MET 1 -8.579 10.870 12.673 12 H GLU 2 H GLU 2 -4.940 14.670 8.953 13 HA GLU 2 HA GLU 2 -4.152 15.343 6.336 14 1HB GLU 2 2HB GLU 2 -4.902 17.749 6.387 15 2HB GLU 2 1HB GLU 2 -6.177 16.573 6.110 16 1HG GLU 2 2HG GLU 2 -7.017 16.818 8.292 17 2HG GLU 2 1HG GLU 2 -5.582 17.681 8.837 18 H ALA 3 H ALA 3 -2.121 16.040 6.451 19 HA ALA 3 HA ALA 3 -1.137 17.938 8.267 20 1HB ALA 3 1HB ALA 3 0.176 15.431 9.037 21 2HB ALA 3 2HB ALA 3 -1.496 15.574 9.556 22 3HB ALA 3 3HB ALA 3 -0.319 16.806 10.023 23 H VAL 4 H VAL 4 0.284 14.883 7.128 24 HA VAL 4 HA VAL 4 2.089 16.466 5.421 25 HB VAL 4 HB VAL 4 3.703 14.504 5.750 26 1HG1 VAL 4 1HG1 VAL 4 4.188 15.476 8.201 27 2HG1 VAL 4 2HG1 VAL 4 3.070 16.707 7.613 28 3HG1 VAL 4 3HG1 VAL 4 4.555 16.369 6.721 29 1HG2 VAL 4 1HG2 VAL 4 3.476 13.300 7.882 30 2HG2 VAL 4 2HG2 VAL 4 2.151 12.951 6.776 31 3HG2 VAL 4 3HG2 VAL 4 1.902 14.058 8.126 32 H ASP 5 H ASP 5 0.237 13.522 5.817 33 HA ASP 5 HA ASP 5 -0.834 12.253 4.245 34 1HB ASP 5 2HB ASP 5 -0.185 14.467 2.721 35 2HB ASP 5 1HB ASP 5 0.575 13.146 1.840 36 H ALA 6 H ALA 6 2.626 12.824 3.659 37 HA ALA 6 HA ALA 6 3.219 10.389 2.435 38 1HB ALA 6 1HB ALA 6 5.013 11.752 2.247 39 2HB ALA 6 2HB ALA 6 5.527 10.899 3.704 40 3HB ALA 6 3HB ALA 6 4.761 12.488 3.831 41 H ASN 7 H ASN 7 2.843 11.237 5.817 42 HA ASN 7 HA ASN 7 3.976 8.914 6.937 43 1HB ASN 7 2HB ASN 7 3.023 11.231 7.965 44 2HB ASN 7 1HB ASN 7 1.701 10.143 8.374 45 1HD2 ASN 7 1HD2 ASN 7 3.440 11.456 10.198 46 2HD2 ASN 7 2HD2 ASN 7 4.298 10.239 11.068 47 H SER 8 H SER 8 0.623 9.740 6.105 48 HA SER 8 HA SER 8 -0.496 7.285 6.942 49 1HB SER 8 2HB SER 8 -1.550 9.655 6.175 50 2HB SER 8 1HB SER 8 -1.812 8.717 4.705 51 HG SER 8 HG SER 8 -3.540 8.595 6.276 52 H LEU 9 H LEU 9 1.008 8.348 3.979 53 HA LEU 9 HA LEU 9 0.135 6.255 2.299 54 1HB LEU 9 2HB LEU 9 1.187 8.426 1.592 55 2HB LEU 9 1HB LEU 9 2.731 7.777 2.103 56 HG LEU 9 HG LEU 9 1.000 6.594 -0.066 57 1HD1 LEU 9 1HD1 LEU 9 1.744 8.514 -1.057 58 2HD1 LEU 9 2HD1 LEU 9 3.070 7.411 -1.426 59 3HD1 LEU 9 3HD1 LEU 9 3.224 8.560 -0.099 60 1HD2 LEU 9 1HD2 LEU 9 2.241 4.790 0.522 61 2HD2 LEU 9 2HD2 LEU 9 3.528 5.768 1.230 62 3HD2 LEU 9 3HD2 LEU 9 3.420 5.588 -0.521 63 H ALA 10 H ALA 10 3.042 6.698 4.278 64 HA ALA 10 HA ALA 10 4.348 4.327 3.530 65 1HB ALA 10 1HB ALA 10 5.884 5.560 4.575 66 2HB ALA 10 2HB ALA 10 5.280 4.812 6.050 67 3HB ALA 10 3HB ALA 10 4.681 6.393 5.560 68 H GLN 11 H GLN 11 1.661 4.821 5.617 69 HA GLN 11 HA GLN 11 2.066 2.426 7.160 70 1HB GLN 11 2HB GLN 11 0.963 4.213 8.281 71 2HB GLN 11 1HB GLN 11 -0.196 4.406 6.970 72 1HG GLN 11 2HG GLN 11 -1.063 2.164 7.475 73 2HG GLN 11 1HG GLN 11 0.010 2.084 8.867 74 1HE2 GLN 11 1HE2 GLN 11 -0.479 3.230 10.691 75 2HE2 GLN 11 2HE2 GLN 11 -1.979 4.055 10.922 76 H ALA 12 H ALA 12 -0.047 3.461 4.503 77 HA ALA 12 HA ALA 12 -1.662 1.227 4.291 78 1HB ALA 12 1HB ALA 12 -2.276 2.044 2.262 79 2HB ALA 12 2HB ALA 12 -0.609 2.339 1.761 80 3HB ALA 12 3HB ALA 12 -1.416 3.465 2.856 81 H LYS 13 H LYS 13 1.629 1.738 3.255 82 HA LYS 13 HA LYS 13 1.841 -0.890 2.035 83 1HB LYS 13 2HB LYS 13 4.375 -0.004 2.006 84 2HB LYS 13 1HB LYS 13 3.190 0.441 0.794 85 1HG LYS 13 2HG LYS 13 2.894 2.556 1.647 86 2HG LYS 13 1HG LYS 13 3.537 2.112 3.234 87 1HD LYS 13 2HD LYS 13 5.134 2.301 0.675 88 2HD LYS 13 1HD LYS 13 5.108 3.516 1.953 89 1HE LYS 13 2HE LYS 13 5.691 1.107 3.240 90 2HE LYS 13 1HE LYS 13 6.645 1.083 1.757 91 1HZ LYS 13 1HZ LYS 13 7.910 2.813 2.431 92 2HZ LYS 13 2HZ LYS 13 7.483 2.247 3.966 93 3HZ LYS 13 3HZ LYS 13 6.659 3.560 3.292 94 H GLU 14 H GLU 14 3.469 0.892 4.667 95 HA GLU 14 HA GLU 14 4.983 -1.144 5.740 96 1HB GLU 14 2HB GLU 14 3.607 1.236 6.952 97 2HB GLU 14 1HB GLU 14 4.415 0.074 7.999 98 1HG GLU 14 2HG GLU 14 6.511 0.579 7.166 99 2HG GLU 14 1HG GLU 14 5.866 1.256 5.671 100 H ALA 15 H ALA 15 1.581 -0.451 6.069 101 HA ALA 15 HA ALA 15 1.132 -2.602 7.964 102 1HB ALA 15 1HB ALA 15 -0.148 -0.336 7.744 103 2HB ALA 15 2HB ALA 15 -1.018 -1.805 8.186 104 3HB ALA 15 3HB ALA 15 -1.082 -1.207 6.528 105 H ALA 16 H ALA 16 0.720 -1.998 4.524 106 HA ALA 16 HA ALA 16 -0.817 -4.318 3.965 107 1HB ALA 16 1HB ALA 16 0.064 -3.894 1.582 108 2HB ALA 16 2HB ALA 16 0.779 -2.436 2.267 109 3HB ALA 16 3HB ALA 16 -0.966 -2.672 2.328 110 H ILE 17 H ILE 17 2.586 -3.743 4.385 111 HA ILE 17 HA ILE 17 3.399 -6.189 3.101 112 HB ILE 17 HB ILE 17 5.634 -5.716 4.041 113 1HG1 ILE 17 2HG1 ILE 17 4.289 -3.276 5.221 114 2HG1 ILE 17 1HG1 ILE 17 4.928 -4.639 6.134 115 1HG2 ILE 17 1HG2 ILE 17 4.117 -3.912 2.301 116 2HG2 ILE 17 2HG2 ILE 17 5.661 -4.720 2.034 117 3HG2 ILE 17 3HG2 ILE 17 5.599 -3.221 2.960 118 1HD1 ILE 17 1HD1 ILE 17 6.644 -2.957 4.339 119 2HD1 ILE 17 2HD1 ILE 17 7.147 -4.077 5.605 120 3HD1 ILE 17 3HD1 ILE 17 6.357 -2.560 6.033 121 H LYS 18 H LYS 18 2.602 -5.122 6.331 122 HA LYS 18 HA LYS 18 3.675 -7.267 7.793 123 1HB LYS 18 2HB LYS 18 2.000 -5.022 8.299 124 2HB LYS 18 1HB LYS 18 1.201 -6.440 8.966 125 1HG LYS 18 2HG LYS 18 2.973 -6.898 10.421 126 2HG LYS 18 1HG LYS 18 4.085 -5.850 9.535 127 1HD LYS 18 2HD LYS 18 2.495 -3.944 10.184 128 2HD LYS 18 1HD LYS 18 1.822 -5.082 11.353 129 1HE LYS 18 2HE LYS 18 4.682 -4.143 11.183 130 2HE LYS 18 1HE LYS 18 3.503 -3.713 12.421 131 1HZ LYS 18 1HZ LYS 18 3.405 -6.254 12.788 132 2HZ LYS 18 2HZ LYS 18 4.701 -5.377 13.430 133 3HZ LYS 18 3HZ LYS 18 4.905 -6.266 12.005 134 H GLU 19 H GLU 19 0.775 -6.946 5.881 135 HA GLU 19 HA GLU 19 -0.420 -9.383 6.812 136 1HB GLU 19 2HB GLU 19 -1.131 -7.223 5.021 137 2HB GLU 19 1HB GLU 19 -1.475 -8.778 4.276 138 1HG GLU 19 2HG GLU 19 -3.429 -8.037 5.418 139 2HG GLU 19 1HG GLU 19 -2.757 -9.407 6.302 140 H LEU 20 H LEU 20 1.669 -8.402 4.181 141 HA LEU 20 HA LEU 20 1.518 -10.735 2.635 142 1HB LEU 20 2HB LEU 20 3.170 -8.372 2.756 143 2HB LEU 20 1HB LEU 20 4.141 -9.793 2.419 144 HG LEU 20 HG LEU 20 1.924 -10.034 0.750 145 1HD1 LEU 20 1HD1 LEU 20 3.007 -7.321 0.223 146 2HD1 LEU 20 2HD1 LEU 20 1.721 -7.515 1.415 147 3HD1 LEU 20 3HD1 LEU 20 1.464 -8.036 -0.252 148 1HD2 LEU 20 1HD2 LEU 20 4.623 -10.246 0.561 149 2HD2 LEU 20 2HD2 LEU 20 4.310 -8.830 -0.440 150 3HD2 LEU 20 3HD2 LEU 20 3.507 -10.358 -0.798 151 H LYS 21 H LYS 21 3.383 -9.896 5.480 152 HA LYS 21 HA LYS 21 4.944 -12.327 5.402 153 1HB LYS 21 2HB LYS 21 5.829 -11.553 7.576 154 2HB LYS 21 1HB LYS 21 5.966 -10.324 6.328 155 1HG LYS 21 2HG LYS 21 4.102 -9.119 7.219 156 2HG LYS 21 1HG LYS 21 3.757 -10.413 8.367 157 1HD LYS 21 2HD LYS 21 6.273 -9.933 9.072 158 2HD LYS 21 1HD LYS 21 5.887 -8.343 8.411 159 1HE LYS 21 2HE LYS 21 5.001 -7.872 10.402 160 2HE LYS 21 1HE LYS 21 3.685 -8.959 9.962 161 1HZ LYS 21 1HZ LYS 21 4.596 -9.538 12.109 162 2HZ LYS 21 2HZ LYS 21 6.144 -9.713 11.448 163 3HZ LYS 21 3HZ LYS 21 4.909 -10.779 11.000 164 H GLN 22 H GLN 22 2.155 -11.032 7.112 165 HA GLN 22 HA GLN 22 1.877 -13.223 8.915 166 1HB GLN 22 2HB GLN 22 0.339 -10.821 8.188 167 2HB GLN 22 1HB GLN 22 -0.644 -12.180 8.715 168 1HG GLN 22 2HG GLN 22 1.701 -11.554 10.384 169 2HG GLN 22 1HG GLN 22 0.403 -10.361 10.380 170 1HE2 GLN 22 1HE2 GLN 22 -1.805 -11.258 10.751 171 2HE2 GLN 22 2HE2 GLN 22 -1.966 -12.516 11.923 172 H TYR 23 H TYR 23 0.940 -12.618 5.634 173 HA TYR 23 HA TYR 23 -0.930 -14.836 5.533 174 1HB TYR 23 2HB TYR 23 0.040 -12.801 3.539 175 2HB TYR 23 1HB TYR 23 -0.864 -14.221 3.016 176 HD1 TYR 23 1HD TYR 23 -2.972 -14.572 4.872 177 HD2 TYR 23 2HD TYR 23 -1.266 -10.930 3.496 178 HE1 TYR 23 1HE TYR 23 -5.076 -13.405 5.369 179 HE2 TYR 23 2HE TYR 23 -3.358 -9.753 3.987 180 HH TYR 23 HH TYR 23 -5.330 -9.998 5.389 181 H GLY 24 H GLY 24 2.321 -14.028 4.420 182 1HA GLY 24 2HA GLY 24 3.963 -15.832 4.409 183 2HA GLY 24 1HA GLY 24 2.703 -16.883 3.784 184 H ILE 25 H ILE 25 2.105 -14.164 2.137 185 HA ILE 25 HA ILE 25 2.990 -15.099 -0.315 186 HB ILE 25 HB ILE 25 3.065 -12.168 -0.205 187 1HG1 ILE 25 2HG1 ILE 25 0.556 -13.618 0.676 188 2HG1 ILE 25 1HG1 ILE 25 1.474 -12.440 1.611 189 1HG2 ILE 25 1HG2 ILE 25 1.009 -12.906 -1.838 190 2HG2 ILE 25 2HG2 ILE 25 2.044 -14.336 -1.880 191 3HG2 ILE 25 3HG2 ILE 25 2.700 -12.762 -2.326 192 1HD1 ILE 25 1HD1 ILE 25 0.957 -10.920 -0.487 193 2HD1 ILE 25 2HD1 ILE 25 -0.183 -11.096 0.846 194 3HD1 ILE 25 3HD1 ILE 25 -0.405 -12.026 -0.637 195 H GLY 26 H GLY 26 4.590 -13.791 -1.799 196 1HA GLY 26 2HA GLY 26 7.180 -14.064 -0.553 197 2HA GLY 26 1HA GLY 26 6.861 -13.690 -2.244 198 H ASP 27 H ASP 27 8.875 -12.434 -0.796 199 HA ASP 27 HA ASP 27 8.037 -9.931 0.262 200 1HB ASP 27 2HB ASP 27 10.661 -11.130 -0.532 201 2HB ASP 27 1HB ASP 27 10.569 -9.394 -0.248 202 H TYR 28 H TYR 28 8.626 -11.095 -2.938 203 HA TYR 28 HA TYR 28 9.337 -8.891 -4.402 204 1HB TYR 28 2HB TYR 28 8.410 -11.355 -5.061 205 2HB TYR 28 1HB TYR 28 7.003 -10.380 -5.473 206 HD1 TYR 28 1HD TYR 28 8.875 -11.976 -7.365 207 HD2 TYR 28 2HD TYR 28 8.712 -7.890 -6.199 208 HE1 TYR 28 1HE TYR 28 9.929 -11.330 -9.492 209 HE2 TYR 28 2HE TYR 28 9.759 -7.234 -8.309 210 HH TYR 28 HH TYR 28 9.823 -8.760 -10.892 211 H TYR 29 H TYR 29 6.116 -9.772 -3.321 212 HA TYR 29 HA TYR 29 4.906 -7.397 -4.335 213 1HB TYR 29 2HB TYR 29 3.702 -9.408 -2.433 214 2HB TYR 29 1HB TYR 29 2.846 -8.299 -3.495 215 HD1 TYR 29 1HD TYR 29 2.584 -11.360 -3.449 216 HD2 TYR 29 2HD TYR 29 4.964 -8.717 -5.804 217 HE1 TYR 29 1HE TYR 29 2.681 -13.048 -5.234 218 HE2 TYR 29 2HE TYR 29 5.073 -10.409 -7.583 219 HH TYR 29 HH TYR 29 4.048 -13.643 -7.133 220 H ILE 30 H ILE 30 6.421 -8.155 -1.305 221 HA ILE 30 HA ILE 30 5.057 -6.062 0.135 222 HB ILE 30 HB ILE 30 6.282 -6.605 1.969 223 1HG1 ILE 30 2HG1 ILE 30 8.657 -7.688 1.711 224 2HG1 ILE 30 1HG1 ILE 30 8.582 -6.967 0.106 225 1HG2 ILE 30 1HG2 ILE 30 6.308 -9.004 0.221 226 2HG2 ILE 30 2HG2 ILE 30 5.361 -8.663 1.662 227 3HG2 ILE 30 3HG2 ILE 30 7.067 -9.072 1.808 228 1HD1 ILE 30 1HD1 ILE 30 9.025 -5.723 2.687 229 2HD1 ILE 30 2HD1 ILE 30 7.766 -4.924 1.741 230 3HD1 ILE 30 3HD1 ILE 30 9.382 -5.131 1.063 231 H LYS 31 H LYS 31 7.883 -6.471 -1.823 232 HA LYS 31 HA LYS 31 8.985 -3.857 -1.323 233 1HB LYS 31 2HB LYS 31 9.642 -5.857 -3.487 234 2HB LYS 31 1HB LYS 31 10.612 -4.461 -3.038 235 1HG LYS 31 2HG LYS 31 10.010 -6.769 -1.204 236 2HG LYS 31 1HG LYS 31 11.478 -6.614 -2.169 237 1HD LYS 31 2HD LYS 31 12.237 -4.783 -0.941 238 2HD LYS 31 1HD LYS 31 10.634 -4.434 -0.294 239 1HE LYS 31 2HE LYS 31 11.551 -5.415 1.543 240 2HE LYS 31 1HE LYS 31 10.936 -6.859 0.739 241 1HZ LYS 31 1HZ LYS 31 13.676 -5.992 1.157 242 2HZ LYS 31 2HZ LYS 31 13.351 -6.665 -0.361 243 3HZ LYS 31 3HZ LYS 31 13.038 -7.556 1.043 244 H LEU 32 H LEU 32 7.412 -5.489 -4.080 245 HA LEU 32 HA LEU 32 7.418 -3.405 -5.865 246 1HB LEU 32 2HB LEU 32 6.209 -4.797 -7.152 247 2HB LEU 32 1HB LEU 32 6.405 -5.930 -5.840 248 HG LEU 32 HG LEU 32 4.139 -6.010 -6.404 249 1HD1 LEU 32 1HD1 LEU 32 3.555 -4.196 -4.275 250 2HD1 LEU 32 2HD1 LEU 32 5.047 -5.084 -3.943 251 3HD1 LEU 32 3HD1 LEU 32 3.547 -5.963 -4.279 252 1HD2 LEU 32 1HD2 LEU 32 3.552 -3.149 -6.004 253 2HD2 LEU 32 2HD2 LEU 32 2.872 -4.296 -7.157 254 3HD2 LEU 32 3HD2 LEU 32 4.438 -3.551 -7.473 255 H ILE 33 H ILE 33 5.715 -3.650 -2.924 256 HA ILE 33 HA ILE 33 3.642 -1.749 -3.482 257 HB ILE 33 HB ILE 33 4.671 -3.160 -1.049 258 1HG1 ILE 33 2HG1 ILE 33 2.012 -2.929 -2.452 259 2HG1 ILE 33 1HG1 ILE 33 3.061 -4.336 -2.356 260 1HG2 ILE 33 1HG2 ILE 33 2.453 -1.586 -0.250 261 2HG2 ILE 33 2HG2 ILE 33 3.664 -0.504 -0.930 262 3HG2 ILE 33 3HG2 ILE 33 4.093 -1.582 0.393 263 1HD1 ILE 33 1HD1 ILE 33 2.077 -5.016 -0.500 264 2HD1 ILE 33 2HD1 ILE 33 0.895 -3.728 -0.730 265 3HD1 ILE 33 3HD1 ILE 33 2.315 -3.451 0.275 266 H ASN 34 H ASN 34 6.567 -1.674 -1.446 267 HA ASN 34 HA ASN 34 6.531 0.992 -0.742 268 1HB ASN 34 2HB ASN 34 8.098 -0.873 0.043 269 2HB ASN 34 1HB ASN 34 9.081 -0.485 -1.365 270 1HD2 ASN 34 1HD2 ASN 34 8.693 0.082 1.836 271 2HD2 ASN 34 2HD2 ASN 34 9.502 1.603 1.966 272 H ASN 35 H ASN 35 7.270 -0.394 -3.825 273 HA ASN 35 HA ASN 35 8.821 1.753 -4.854 274 1HB ASN 35 2HB ASN 35 8.839 -0.529 -5.812 275 2HB ASN 35 1HB ASN 35 7.184 -0.292 -6.364 276 1HD2 ASN 35 1HD2 ASN 35 6.781 1.009 -8.117 277 2HD2 ASN 35 2HD2 ASN 35 8.031 1.594 -9.157 278 H ALA 36 H ALA 36 5.423 1.302 -4.406 279 HA ALA 36 HA ALA 36 4.442 2.979 -6.435 280 1HB ALA 36 1HB ALA 36 2.604 2.041 -5.617 281 2HB ALA 36 2HB ALA 36 2.656 3.261 -4.344 282 3HB ALA 36 3HB ALA 36 3.386 1.677 -4.079 283 H LYS 37 H LYS 37 3.635 5.114 -6.336 284 HA LYS 37 HA LYS 37 5.247 6.844 -4.610 285 1HB LYS 37 2HB LYS 37 3.571 7.757 -6.937 286 2HB LYS 37 1HB LYS 37 4.967 8.541 -6.210 287 1HG LYS 37 2HG LYS 37 5.947 7.717 -8.081 288 2HG LYS 37 1HG LYS 37 6.176 6.330 -7.014 289 1HD LYS 37 2HD LYS 37 3.643 5.988 -8.132 290 2HD LYS 37 1HD LYS 37 4.659 6.547 -9.462 291 1HE LYS 37 2HE LYS 37 6.213 4.767 -9.117 292 2HE LYS 37 1HE LYS 37 5.416 4.289 -7.618 293 1HZ LYS 37 1HZ LYS 37 3.753 4.306 -10.000 294 2HZ LYS 37 2HZ LYS 37 3.801 3.201 -8.721 295 3HZ LYS 37 3HZ LYS 37 4.957 3.119 -9.954 296 H THR 38 H THR 38 1.936 6.093 -5.476 297 HA THR 38 HA THR 38 0.898 8.123 -3.654 298 HB THR 38 HB THR 38 -1.248 7.680 -4.593 299 HG1 THR 38 1HG THR 38 -1.608 5.625 -4.869 300 1HG2 THR 38 1HG2 THR 38 -0.171 8.944 -6.200 301 2HG2 THR 38 2HG2 THR 38 -0.787 7.573 -7.114 302 3HG2 THR 38 3HG2 THR 38 0.915 7.634 -6.653 303 H VAL 39 H VAL 39 -1.508 6.446 -3.048 304 HA VAL 39 HA VAL 39 -0.304 4.368 -1.396 305 HB VAL 39 HB VAL 39 -0.719 6.641 -0.154 306 1HG1 VAL 39 1HG1 VAL 39 -2.825 6.733 0.980 307 2HG1 VAL 39 2HG1 VAL 39 -3.369 5.265 0.167 308 3HG1 VAL 39 3HG1 VAL 39 -3.112 6.742 -0.761 309 1HG2 VAL 39 1HG2 VAL 39 -1.319 5.120 1.874 310 2HG2 VAL 39 2HG2 VAL 39 0.227 4.923 1.043 311 3HG2 VAL 39 3HG2 VAL 39 -1.104 3.823 0.700 312 H GLU 40 H GLU 40 -3.309 5.788 -2.615 313 HA GLU 40 HA GLU 40 -5.139 3.900 -1.851 314 1HB GLU 40 2HB GLU 40 -5.187 6.041 -3.529 315 2HB GLU 40 1HB GLU 40 -5.401 4.720 -4.671 316 1HG GLU 40 2HG GLU 40 -7.074 4.652 -2.238 317 2HG GLU 40 1HG GLU 40 -7.430 5.911 -3.417 318 H GLY 41 H GLY 41 -2.797 3.673 -4.474 319 1HA GLY 41 2HA GLY 41 -3.816 1.096 -5.330 320 2HA GLY 41 1HA GLY 41 -2.420 1.939 -5.987 321 H VAL 42 H VAL 42 -1.304 2.343 -3.275 322 HA VAL 42 HA VAL 42 0.415 0.153 -3.158 323 HB VAL 42 HB VAL 42 -0.260 2.051 -0.913 324 1HG1 VAL 42 1HG1 VAL 42 1.946 0.087 -1.395 325 2HG1 VAL 42 2HG1 VAL 42 0.916 0.273 0.032 326 3HG1 VAL 42 3HG1 VAL 42 2.163 1.474 -0.325 327 1HG2 VAL 42 1HG2 VAL 42 0.551 2.980 -3.197 328 2HG2 VAL 42 2HG2 VAL 42 2.102 2.288 -2.726 329 3HG2 VAL 42 3HG2 VAL 42 1.347 3.515 -1.717 330 H GLU 43 H GLU 43 -2.414 0.910 -1.152 331 HA GLU 43 HA GLU 43 -2.194 -1.428 0.457 332 1HB GLU 43 2HB GLU 43 -4.774 -0.818 0.790 333 2HB GLU 43 1HB GLU 43 -3.485 0.086 1.572 334 1HG GLU 43 2HG GLU 43 -3.627 1.835 -0.013 335 2HG GLU 43 1HG GLU 43 -4.678 0.885 -1.067 336 H SER 44 H SER 44 -4.443 -0.581 -2.170 337 HA SER 44 HA SER 44 -5.670 -3.105 -2.322 338 1HB SER 44 2HB SER 44 -6.063 -0.656 -3.504 339 2HB SER 44 1HB SER 44 -5.498 -1.637 -4.858 340 HG SER 44 HG SER 44 -7.898 -1.644 -3.654 341 H LEU 45 H LEU 45 -2.632 -1.933 -3.437 342 HA LEU 45 HA LEU 45 -2.082 -3.603 -5.594 343 1HB LEU 45 2HB LEU 45 -0.559 -2.016 -3.675 344 2HB LEU 45 1HB LEU 45 0.321 -3.421 -4.230 345 1HD1 LEU 45 1HD1 LEU 45 0.938 -2.762 -7.463 346 2HD1 LEU 45 2HD1 LEU 45 1.326 -3.582 -5.950 347 3HD1 LEU 45 3HD1 LEU 45 2.014 -1.994 -6.294 348 1HD2 LEU 45 1HD2 LEU 45 -1.048 -0.879 -7.304 349 2HD2 LEU 45 2HD2 LEU 45 -2.134 -1.715 -6.195 350 3HD2 LEU 45 3HD2 LEU 45 -1.232 -2.629 -7.402 351 H LYS 46 H LYS 46 -1.163 -4.152 -2.185 352 HA LYS 46 HA LYS 46 -0.441 -6.870 -2.658 353 1HB LYS 46 2HB LYS 46 0.659 -6.276 -0.787 354 2HB LYS 46 1HB LYS 46 -0.499 -5.022 -0.372 355 1HG LYS 46 2HG LYS 46 -1.183 -7.906 0.060 356 2HG LYS 46 1HG LYS 46 -0.144 -7.050 1.206 357 1HD LYS 46 2HD LYS 46 -1.951 -5.279 1.323 358 2HD LYS 46 1HD LYS 46 -2.987 -6.406 0.451 359 1HE LYS 46 2HE LYS 46 -3.277 -7.733 2.238 360 2HE LYS 46 1HE LYS 46 -1.611 -7.536 2.781 361 1HZ LYS 46 1HZ LYS 46 -3.685 -6.492 4.053 362 2HZ LYS 46 2HZ LYS 46 -3.326 -5.200 3.021 363 3HZ LYS 46 3HZ LYS 46 -2.146 -5.789 4.079 364 H ASN 47 H ASN 47 -3.294 -5.289 -1.252 365 HA ASN 47 HA ASN 47 -4.681 -7.604 -0.523 366 1HB ASN 47 2HB ASN 47 -5.369 -5.308 0.129 367 2HB ASN 47 1HB ASN 47 -5.856 -4.993 -1.535 368 1HD2 ASN 47 1HD2 ASN 47 -7.946 -5.130 -1.832 369 2HD2 ASN 47 2HD2 ASN 47 -9.034 -6.189 -1.009 370 H GLU 48 H GLU 48 -4.200 -6.100 -3.618 371 HA GLU 48 HA GLU 48 -6.236 -7.609 -4.976 372 1HB GLU 48 2HB GLU 48 -5.508 -5.432 -5.844 373 2HB GLU 48 1HB GLU 48 -3.878 -6.054 -6.065 374 1HG GLU 48 2HG GLU 48 -5.142 -7.839 -7.544 375 2HG GLU 48 1HG GLU 48 -6.332 -6.543 -7.658 376 H ILE 49 H ILE 49 -2.770 -7.839 -4.463 377 HA ILE 49 HA ILE 49 -2.279 -10.029 -6.178 378 HB ILE 49 HB ILE 49 -0.181 -10.268 -5.114 379 1HG1 ILE 49 2HG1 ILE 49 -0.762 -8.505 -2.800 380 2HG1 ILE 49 1HG1 ILE 49 -1.389 -10.138 -2.727 381 1HG2 ILE 49 1HG2 ILE 49 -0.056 -7.504 -4.476 382 2HG2 ILE 49 2HG2 ILE 49 -1.143 -7.723 -5.848 383 3HG2 ILE 49 3HG2 ILE 49 0.509 -8.335 -5.925 384 1HD1 ILE 49 1HD1 ILE 49 1.447 -9.726 -3.444 385 2HD1 ILE 49 2HD1 ILE 49 0.679 -11.055 -2.576 386 3HD1 ILE 49 3HD1 ILE 49 0.948 -9.508 -1.768 387 H LEU 50 H LEU 50 -3.609 -9.710 -3.020 388 HA LEU 50 HA LEU 50 -3.406 -12.498 -2.347 389 1HB LEU 50 2HB LEU 50 -4.782 -10.149 -1.053 390 2HB LEU 50 1HB LEU 50 -4.814 -11.770 -0.379 391 HG LEU 50 HG LEU 50 -2.135 -10.695 -0.996 392 1HD1 LEU 50 1HD1 LEU 50 -3.071 -8.683 -0.146 393 2HD1 LEU 50 2HD1 LEU 50 -2.105 -9.412 1.138 394 3HD1 LEU 50 3HD1 LEU 50 -3.863 -9.542 1.176 395 1HD2 LEU 50 1HD2 LEU 50 -3.442 -12.458 1.001 396 2HD2 LEU 50 2HD2 LEU 50 -1.964 -11.622 1.477 397 3HD2 LEU 50 3HD2 LEU 50 -1.957 -12.695 0.076 398 H LYS 51 H LYS 51 -5.823 -10.319 -3.680 399 HA LYS 51 HA LYS 51 -8.105 -11.872 -3.335 400 1HB LYS 51 2HB LYS 51 -9.125 -10.565 -4.985 401 2HB LYS 51 1HB LYS 51 -7.869 -9.511 -4.356 402 1HG LYS 51 2HG LYS 51 -7.231 -9.197 -6.456 403 2HG LYS 51 1HG LYS 51 -6.639 -10.858 -6.445 404 1HD LYS 51 2HD LYS 51 -8.700 -11.671 -7.350 405 2HD LYS 51 1HD LYS 51 -9.465 -10.092 -7.160 406 1HE LYS 51 2HE LYS 51 -8.076 -9.135 -8.849 407 2HE LYS 51 1HE LYS 51 -7.068 -10.581 -8.918 408 1HZ LYS 51 1HZ LYS 51 -8.904 -10.186 -10.684 409 2HZ LYS 51 2HZ LYS 51 -9.937 -10.806 -9.497 410 3HZ LYS 51 3HZ LYS 51 -8.648 -11.744 -10.068 411 H ALA 52 H ALA 52 -5.368 -12.296 -5.397 412 HA ALA 52 HA ALA 52 -6.562 -14.766 -6.442 413 1HB ALA 52 1HB ALA 52 -6.566 -13.204 -8.268 414 2HB ALA 52 2HB ALA 52 -5.299 -14.397 -8.553 415 3HB ALA 52 3HB ALA 52 -4.879 -12.786 -7.969 416 H LEU 53 H LEU 53 -5.180 -14.915 -4.177 417 HA LEU 53 HA LEU 53 -2.435 -15.091 -4.185 418 1HB LEU 53 2HB LEU 53 -4.569 -16.558 -2.696 419 2HB LEU 53 1HB LEU 53 -2.899 -17.059 -2.510 420 HG LEU 53 HG LEU 53 -3.962 -14.295 -1.923 421 1HD1 LEU 53 1HD1 LEU 53 -4.765 -15.383 -0.117 422 2HD1 LEU 53 2HD1 LEU 53 -3.098 -15.219 0.436 423 3HD1 LEU 53 3HD1 LEU 53 -3.642 -16.732 -0.290 424 1HD2 LEU 53 1HD2 LEU 53 -1.858 -13.594 -1.743 425 2HD2 LEU 53 2HD2 LEU 53 -1.364 -15.095 -2.525 426 3HD2 LEU 53 3HD2 LEU 53 -1.408 -14.990 -0.765 427 HA PRO 54 HA PRO 54 -1.775 -18.474 -7.038 428 1HB PRO 54 2HB PRO 54 0.908 -18.500 -6.968 429 2HB PRO 54 1HB PRO 54 0.015 -17.201 -7.768 430 1HG PRO 54 2HG PRO 54 1.293 -17.235 -5.062 431 2HG PRO 54 1HG PRO 54 1.297 -15.952 -6.285 432 1HD PRO 54 2HD PRO 54 -0.372 -15.985 -4.110 433 2HD PRO 54 1HD PRO 54 -0.752 -15.161 -5.635 434 H THR 55 H THR 55 -0.977 -20.641 -6.994 435 HA THR 55 HA THR 55 -1.216 -21.899 -4.455 436 HB THR 55 HB THR 55 -0.207 -23.864 -6.035 437 HG1 THR 55 1HG THR 55 -1.640 -22.261 -7.855 438 1HG2 THR 55 1HG2 THR 55 -2.282 -24.704 -6.062 439 2HG2 THR 55 2HG2 THR 55 -2.993 -23.219 -6.694 440 3HG2 THR 55 3HG2 THR 55 -2.627 -23.358 -4.975 441 H GLU 56 H GLU 56 0.293 -22.261 -2.975 442 HA GLU 56 HA GLU 56 3.093 -21.780 -3.667 443 1HB GLU 56 2HB GLU 56 1.523 -21.779 -1.122 444 2HB GLU 56 1HB GLU 56 3.259 -22.057 -1.051 445 1HG GLU 56 2HG GLU 56 3.488 -19.920 -2.417 446 2HG GLU 56 1HG GLU 56 1.796 -19.627 -2.017 Start of MODEL 9 1 1H MET 1 1HT MET 1 -6.439 20.357 10.607 2 2H MET 1 2HT MET 1 -6.938 18.905 11.386 3 3H MET 1 3HT MET 1 -8.081 20.141 11.048 4 HA MET 1 HA MET 1 -8.086 18.168 9.563 5 1HB MET 1 2HB MET 1 -9.146 20.363 9.108 6 2HB MET 1 1HB MET 1 -7.646 20.905 8.369 7 1HG MET 1 2HG MET 1 -8.080 18.660 6.954 8 2HG MET 1 1HG MET 1 -9.739 19.128 7.323 9 1HE MET 1 1HE MET 1 -9.316 22.599 7.175 10 2HE MET 1 2HE MET 1 -10.627 21.422 7.035 11 3HE MET 1 3HE MET 1 -10.227 22.482 5.673 12 H GLU 2 H GLU 2 -6.984 16.908 8.157 13 HA GLU 2 HA GLU 2 -5.226 15.992 7.028 14 1HB GLU 2 2HB GLU 2 -5.558 18.445 5.961 15 2HB GLU 2 1HB GLU 2 -3.900 18.590 6.520 16 1HG GLU 2 2HG GLU 2 -3.113 17.151 4.987 17 2HG GLU 2 1HG GLU 2 -4.541 16.125 5.039 18 H ALA 3 H ALA 3 -2.587 16.500 6.797 19 HA ALA 3 HA ALA 3 -1.370 17.355 9.231 20 1HB ALA 3 1HB ALA 3 -0.535 14.675 9.225 21 2HB ALA 3 2HB ALA 3 -2.298 14.647 9.125 22 3HB ALA 3 3HB ALA 3 -1.505 15.501 10.446 23 H VAL 4 H VAL 4 -0.411 14.602 7.233 24 HA VAL 4 HA VAL 4 1.600 16.279 5.917 25 HB VAL 4 HB VAL 4 2.320 13.533 6.911 26 1HG1 VAL 4 1HG1 VAL 4 3.560 15.226 5.156 27 2HG1 VAL 4 2HG1 VAL 4 4.360 13.955 6.083 28 3HG1 VAL 4 3HG1 VAL 4 4.365 15.622 6.675 29 1HG2 VAL 4 1HG2 VAL 4 3.624 14.984 8.682 30 2HG2 VAL 4 2HG2 VAL 4 1.959 14.480 8.972 31 3HG2 VAL 4 3HG2 VAL 4 2.298 16.111 8.408 32 H ASP 5 H ASP 5 -0.271 13.299 5.939 33 HA ASP 5 HA ASP 5 -1.220 12.157 4.208 34 1HB ASP 5 2HB ASP 5 -0.526 14.551 2.948 35 2HB ASP 5 1HB ASP 5 0.170 13.297 1.931 36 H ALA 6 H ALA 6 2.228 12.930 3.710 37 HA ALA 6 HA ALA 6 2.864 10.548 2.337 38 1HB ALA 6 1HB ALA 6 4.357 12.736 3.632 39 2HB ALA 6 2HB ALA 6 4.581 11.986 2.052 40 3HB ALA 6 3HB ALA 6 5.214 11.199 3.500 41 H ASN 7 H ASN 7 2.694 11.356 5.756 42 HA ASN 7 HA ASN 7 4.008 9.076 6.761 43 1HB ASN 7 2HB ASN 7 2.988 11.340 7.877 44 2HB ASN 7 1HB ASN 7 1.787 10.149 8.384 45 1HD2 ASN 7 1HD2 ASN 7 3.463 7.929 8.631 46 2HD2 ASN 7 2HD2 ASN 7 4.521 8.188 9.971 47 H SER 8 H SER 8 0.569 9.754 6.177 48 HA SER 8 HA SER 8 -0.397 7.258 7.052 49 1HB SER 8 2HB SER 8 -1.492 9.638 5.962 50 2HB SER 8 1HB SER 8 -2.065 8.306 4.964 51 HG SER 8 HG SER 8 -2.642 7.277 7.018 52 H LEU 9 H LEU 9 0.930 8.372 4.028 53 HA LEU 9 HA LEU 9 0.087 6.283 2.355 54 1HB LEU 9 2HB LEU 9 1.119 8.459 1.652 55 2HB LEU 9 1HB LEU 9 2.670 7.830 2.168 56 HG LEU 9 HG LEU 9 0.981 6.569 0.014 57 1HD1 LEU 9 1HD1 LEU 9 3.242 8.532 -0.160 58 2HD1 LEU 9 2HD1 LEU 9 1.601 8.702 -0.788 59 3HD1 LEU 9 3HD1 LEU 9 2.702 7.531 -1.517 60 1HD2 LEU 9 1HD2 LEU 9 3.516 5.884 1.325 61 2HD2 LEU 9 2HD2 LEU 9 3.537 5.813 -0.437 62 3HD2 LEU 9 3HD2 LEU 9 2.361 4.860 0.470 63 H ALA 10 H ALA 10 3.006 6.721 4.309 64 HA ALA 10 HA ALA 10 4.309 4.351 3.544 65 1HB ALA 10 1HB ALA 10 5.203 4.891 6.103 66 2HB ALA 10 2HB ALA 10 4.700 6.464 5.486 67 3HB ALA 10 3HB ALA 10 5.887 5.507 4.599 68 H GLN 11 H GLN 11 1.632 4.851 5.629 69 HA GLN 11 HA GLN 11 2.040 2.480 7.206 70 1HB GLN 11 2HB GLN 11 0.896 4.273 8.279 71 2HB GLN 11 1HB GLN 11 -0.246 4.425 6.949 72 1HG GLN 11 2HG GLN 11 -1.097 2.189 7.481 73 2HG GLN 11 1HG GLN 11 -0.034 2.132 8.880 74 1HE2 GLN 11 1HE2 GLN 11 -2.185 1.782 9.907 75 2HE2 GLN 11 2HE2 GLN 11 -3.058 3.181 10.423 76 H ALA 12 H ALA 12 0.017 3.438 4.463 77 HA ALA 12 HA ALA 12 -1.596 1.194 4.265 78 1HB ALA 12 1HB ALA 12 -1.345 3.394 2.797 79 2HB ALA 12 2HB ALA 12 -2.134 1.941 2.180 80 3HB ALA 12 3HB ALA 12 -0.454 2.283 1.754 81 H LYS 13 H LYS 13 1.725 1.702 3.316 82 HA LYS 13 HA LYS 13 1.982 -0.962 2.184 83 1HB LYS 13 2HB LYS 13 4.510 -0.065 2.189 84 2HB LYS 13 1HB LYS 13 3.353 0.335 0.932 85 1HG LYS 13 2HG LYS 13 2.988 2.468 1.757 86 2HG LYS 13 1HG LYS 13 3.677 2.073 3.336 87 1HD LYS 13 2HD LYS 13 5.176 2.322 0.723 88 2HD LYS 13 1HD LYS 13 5.216 3.468 2.062 89 1HE LYS 13 2HE LYS 13 5.869 0.995 3.187 90 2HE LYS 13 1HE LYS 13 6.745 1.057 1.658 91 1HZ LYS 13 1HZ LYS 13 7.092 2.653 4.060 92 2HZ LYS 13 2HZ LYS 13 7.236 3.490 2.598 93 3HZ LYS 13 3HZ LYS 13 8.232 2.160 2.912 94 H GLU 14 H GLU 14 3.470 0.906 4.845 95 HA GLU 14 HA GLU 14 4.964 -1.117 6.005 96 1HB GLU 14 2HB GLU 14 3.696 1.384 6.998 97 2HB GLU 14 1HB GLU 14 4.160 0.205 8.216 98 1HG GLU 14 2HG GLU 14 6.328 0.651 7.995 99 2HG GLU 14 1HG GLU 14 6.240 0.674 6.236 100 H ALA 15 H ALA 15 1.558 -0.434 6.127 101 HA ALA 15 HA ALA 15 1.030 -2.524 8.080 102 1HB ALA 15 1HB ALA 15 -1.073 -1.074 6.511 103 2HB ALA 15 2HB ALA 15 -0.239 -0.297 7.856 104 3HB ALA 15 3HB ALA 15 -1.174 -1.766 8.130 105 H ALA 16 H ALA 16 0.890 -2.032 4.621 106 HA ALA 16 HA ALA 16 -0.666 -4.354 4.037 107 1HB ALA 16 1HB ALA 16 0.330 -3.977 1.691 108 2HB ALA 16 2HB ALA 16 1.010 -2.504 2.378 109 3HB ALA 16 3HB ALA 16 -0.736 -2.741 2.358 110 H ILE 17 H ILE 17 2.709 -3.744 4.611 111 HA ILE 17 HA ILE 17 3.651 -6.172 3.408 112 HB ILE 17 HB ILE 17 5.176 -4.284 3.657 113 1HG1 ILE 17 2HG1 ILE 17 6.168 -6.431 5.522 114 2HG1 ILE 17 1HG1 ILE 17 5.942 -6.739 3.803 115 1HG2 ILE 17 1HG2 ILE 17 5.579 -3.169 5.568 116 2HG2 ILE 17 2HG2 ILE 17 5.531 -4.630 6.556 117 3HG2 ILE 17 3HG2 ILE 17 4.031 -3.856 6.051 118 1HD1 ILE 17 1HD1 ILE 17 7.453 -4.723 3.425 119 2HD1 ILE 17 2HD1 ILE 17 8.198 -6.203 4.028 120 3HD1 ILE 17 3HD1 ILE 17 7.864 -4.870 5.133 121 H LYS 18 H LYS 18 2.686 -5.125 6.623 122 HA LYS 18 HA LYS 18 3.549 -7.334 8.103 123 1HB LYS 18 2HB LYS 18 2.102 -5.017 8.603 124 2HB LYS 18 1HB LYS 18 0.957 -6.303 8.961 125 1HG LYS 18 2HG LYS 18 3.685 -6.580 10.076 126 2HG LYS 18 1HG LYS 18 2.645 -5.334 10.770 127 1HD LYS 18 2HD LYS 18 1.905 -8.244 10.469 128 2HD LYS 18 1HD LYS 18 2.478 -7.493 11.960 129 1HE LYS 18 2HE LYS 18 0.308 -5.964 10.883 130 2HE LYS 18 1HE LYS 18 -0.166 -7.658 11.006 131 1HZ LYS 18 1HZ LYS 18 1.230 -6.585 13.303 132 2HZ LYS 18 2HZ LYS 18 -0.125 -7.597 13.232 133 3HZ LYS 18 3HZ LYS 18 -0.305 -5.929 13.018 134 H GLU 19 H GLU 19 0.755 -6.860 6.053 135 HA GLU 19 HA GLU 19 -0.543 -9.302 6.829 136 1HB GLU 19 2HB GLU 19 -1.246 -7.007 5.356 137 2HB GLU 19 1HB GLU 19 -1.350 -8.350 4.225 138 1HG GLU 19 2HG GLU 19 -3.439 -8.483 5.050 139 2HG GLU 19 1HG GLU 19 -2.636 -9.443 6.292 140 H LEU 20 H LEU 20 1.496 -8.233 4.148 141 HA LEU 20 HA LEU 20 1.357 -10.584 2.621 142 1HB LEU 20 2HB LEU 20 2.672 -8.140 2.432 143 2HB LEU 20 1HB LEU 20 3.971 -9.314 2.534 144 HG LEU 20 HG LEU 20 2.150 -10.379 0.696 145 1HD1 LEU 20 1HD1 LEU 20 2.267 -7.430 0.568 146 2HD1 LEU 20 2HD1 LEU 20 0.990 -8.539 0.070 147 3HD1 LEU 20 3HD1 LEU 20 2.407 -8.308 -0.955 148 1HD2 LEU 20 1HD2 LEU 20 4.541 -8.879 -0.221 149 2HD2 LEU 20 2HD2 LEU 20 3.961 -10.478 -0.686 150 3HD2 LEU 20 3HD2 LEU 20 4.762 -10.248 0.867 151 H LYS 21 H LYS 21 3.204 -9.713 5.446 152 HA LYS 21 HA LYS 21 4.908 -12.043 5.312 153 1HB LYS 21 2HB LYS 21 5.570 -9.800 6.320 154 2HB LYS 21 1HB LYS 21 4.522 -10.201 7.673 155 1HG LYS 21 2HG LYS 21 6.317 -12.377 7.107 156 2HG LYS 21 1HG LYS 21 7.209 -10.874 7.344 157 1HD LYS 21 2HD LYS 21 7.048 -11.418 9.525 158 2HD LYS 21 1HD LYS 21 5.434 -10.721 9.378 159 1HE LYS 21 2HE LYS 21 4.485 -12.914 8.990 160 2HE LYS 21 1HE LYS 21 6.092 -13.642 9.008 161 1HZ LYS 21 1HZ LYS 21 4.426 -12.771 11.220 162 2HZ LYS 21 2HZ LYS 21 6.073 -12.418 11.370 163 3HZ LYS 21 3HZ LYS 21 5.569 -14.017 11.148 164 H GLN 22 H GLN 22 2.039 -10.965 7.049 165 HA GLN 22 HA GLN 22 1.902 -13.208 8.805 166 1HB GLN 22 2HB GLN 22 0.773 -11.035 9.243 167 2HB GLN 22 1HB GLN 22 -0.325 -11.365 7.910 168 1HG GLN 22 2HG GLN 22 -1.001 -13.456 9.138 169 2HG GLN 22 1HG GLN 22 -0.090 -12.840 10.516 170 1HE2 GLN 22 1HE2 GLN 22 -2.955 -12.580 8.635 171 2HE2 GLN 22 2HE2 GLN 22 -3.756 -11.402 9.614 172 H TYR 23 H TYR 23 0.742 -12.500 5.591 173 HA TYR 23 HA TYR 23 -0.989 -14.782 5.400 174 1HB TYR 23 2HB TYR 23 -0.068 -12.608 3.603 175 2HB TYR 23 1HB TYR 23 -0.544 -14.117 2.822 176 HD1 TYR 23 1HD TYR 23 -1.686 -11.025 4.053 177 HD2 TYR 23 2HD TYR 23 -2.856 -15.085 3.580 178 HE1 TYR 23 1HE TYR 23 -4.042 -10.355 4.199 179 HE2 TYR 23 2HE TYR 23 -5.216 -14.429 3.725 180 HH TYR 23 HH TYR 23 -6.334 -11.833 4.972 181 H GLY 24 H GLY 24 2.279 -13.957 4.344 182 1HA GLY 24 2HA GLY 24 3.967 -15.717 4.418 183 2HA GLY 24 1HA GLY 24 2.739 -16.829 3.830 184 H ILE 25 H ILE 25 2.115 -14.153 2.112 185 HA ILE 25 HA ILE 25 2.948 -15.130 -0.330 186 HB ILE 25 HB ILE 25 3.065 -12.195 -0.242 187 1HG1 ILE 25 2HG1 ILE 25 0.567 -13.635 0.681 188 2HG1 ILE 25 1HG1 ILE 25 1.487 -12.430 1.580 189 1HG2 ILE 25 1HG2 ILE 25 2.762 -12.918 -2.358 190 2HG2 ILE 25 2HG2 ILE 25 1.059 -12.808 -1.899 191 3HG2 ILE 25 3HG2 ILE 25 1.886 -14.364 -1.859 192 1HD1 ILE 25 1HD1 ILE 25 -0.408 -12.076 -0.674 193 2HD1 ILE 25 2HD1 ILE 25 0.922 -10.936 -0.508 194 3HD1 ILE 25 3HD1 ILE 25 -0.227 -11.145 0.813 195 H GLY 26 H GLY 26 4.531 -13.866 -1.858 196 1HA GLY 26 2HA GLY 26 7.145 -14.185 -0.685 197 2HA GLY 26 1HA GLY 26 6.788 -13.799 -2.366 198 H ASP 27 H ASP 27 8.845 -12.633 -0.808 199 HA ASP 27 HA ASP 27 8.135 -10.100 0.231 200 1HB ASP 27 2HB ASP 27 10.616 -9.605 -0.150 201 2HB ASP 27 1HB ASP 27 10.242 -10.980 0.885 202 H TYR 28 H TYR 28 8.578 -11.251 -3.000 203 HA TYR 28 HA TYR 28 9.323 -9.033 -4.444 204 1HB TYR 28 2HB TYR 28 8.350 -11.474 -5.125 205 2HB TYR 28 1HB TYR 28 6.955 -10.469 -5.508 206 HD1 TYR 28 1HD TYR 28 8.649 -7.994 -6.240 207 HD2 TYR 28 2HD TYR 28 8.829 -12.075 -7.418 208 HE1 TYR 28 1HE TYR 28 9.684 -7.326 -8.352 209 HE2 TYR 28 2HE TYR 28 9.870 -11.418 -9.548 210 HH TYR 28 HH TYR 28 10.076 -9.501 -10.984 211 H TYR 29 H TYR 29 6.113 -9.868 -3.288 212 HA TYR 29 HA TYR 29 4.913 -7.487 -4.288 213 1HB TYR 29 2HB TYR 29 3.729 -9.425 -2.303 214 2HB TYR 29 1HB TYR 29 2.871 -8.326 -3.376 215 HD1 TYR 29 1HD TYR 29 2.585 -11.397 -3.211 216 HD2 TYR 29 2HD TYR 29 4.866 -8.835 -5.743 217 HE1 TYR 29 1HE TYR 29 2.592 -13.134 -4.951 218 HE2 TYR 29 2HE TYR 29 4.884 -10.576 -7.481 219 HH TYR 29 HH TYR 29 4.635 -13.053 -7.623 220 H ILE 30 H ILE 30 6.508 -8.225 -1.296 221 HA ILE 30 HA ILE 30 5.220 -6.111 0.169 222 HB ILE 30 HB ILE 30 6.548 -6.611 1.946 223 1HG1 ILE 30 2HG1 ILE 30 8.904 -7.683 1.599 224 2HG1 ILE 30 1HG1 ILE 30 8.748 -7.029 -0.029 225 1HG2 ILE 30 1HG2 ILE 30 5.617 -8.675 1.740 226 2HG2 ILE 30 2HG2 ILE 30 7.329 -9.081 1.785 227 3HG2 ILE 30 3HG2 ILE 30 6.475 -9.042 0.246 228 1HD1 ILE 30 1HD1 ILE 30 8.029 -4.911 1.541 229 2HD1 ILE 30 2HD1 ILE 30 9.619 -5.172 0.821 230 3HD1 ILE 30 3HD1 ILE 30 9.309 -5.682 2.481 231 H LYS 31 H LYS 31 7.979 -6.527 -1.891 232 HA LYS 31 HA LYS 31 9.051 -3.887 -1.480 233 1HB LYS 31 2HB LYS 31 9.718 -6.243 -3.182 234 2HB LYS 31 1HB LYS 31 10.370 -4.673 -3.625 235 1HG LYS 31 2HG LYS 31 11.997 -4.930 -2.148 236 2HG LYS 31 1HG LYS 31 10.807 -5.024 -0.849 237 1HD LYS 31 2HD LYS 31 10.565 -7.503 -1.696 238 2HD LYS 31 1HD LYS 31 12.186 -7.212 -2.331 239 1HE LYS 31 2HE LYS 31 12.447 -6.229 0.173 240 2HE LYS 31 1HE LYS 31 11.260 -7.503 0.450 241 1HZ LYS 31 1HZ LYS 31 12.932 -8.897 -0.953 242 2HZ LYS 31 2HZ LYS 31 13.213 -8.640 0.695 243 3HZ LYS 31 3HZ LYS 31 14.044 -7.721 -0.458 244 H LEU 32 H LEU 32 7.394 -5.596 -4.136 245 HA LEU 32 HA LEU 32 7.342 -3.548 -5.975 246 1HB LEU 32 2HB LEU 32 6.105 -4.976 -7.196 247 2HB LEU 32 1HB LEU 32 6.355 -6.083 -5.869 248 HG LEU 32 HG LEU 32 4.072 -6.194 -6.351 249 1HD1 LEU 32 1HD1 LEU 32 5.049 -5.203 -3.943 250 2HD1 LEU 32 2HD1 LEU 32 3.539 -6.092 -4.209 251 3HD1 LEU 32 3HD1 LEU 32 3.546 -4.327 -4.248 252 1HD2 LEU 32 1HD2 LEU 32 4.329 -3.732 -7.463 253 2HD2 LEU 32 2HD2 LEU 32 3.433 -3.348 -5.994 254 3HD2 LEU 32 3HD2 LEU 32 2.785 -4.520 -7.140 255 H ILE 33 H ILE 33 5.758 -3.731 -2.974 256 HA ILE 33 HA ILE 33 3.633 -1.878 -3.504 257 HB ILE 33 HB ILE 33 4.742 -3.258 -1.096 258 1HG1 ILE 33 2HG1 ILE 33 2.073 -3.023 -2.461 259 2HG1 ILE 33 1HG1 ILE 33 3.077 -4.453 -2.257 260 1HG2 ILE 33 1HG2 ILE 33 4.154 -1.746 0.416 261 2HG2 ILE 33 2HG2 ILE 33 2.557 -1.568 -0.303 262 3HG2 ILE 33 3HG2 ILE 33 3.899 -0.594 -0.890 263 1HD1 ILE 33 1HD1 ILE 33 2.404 -3.477 0.320 264 2HD1 ILE 33 2HD1 ILE 33 1.936 -4.991 -0.450 265 3HD1 ILE 33 3HD1 ILE 33 0.936 -3.553 -0.655 266 H ASN 34 H ASN 34 6.625 -1.719 -1.573 267 HA ASN 34 HA ASN 34 6.565 0.965 -0.925 268 1HB ASN 34 2HB ASN 34 8.166 -0.674 -0.002 269 2HB ASN 34 1HB ASN 34 9.019 -0.690 -1.542 270 1HD2 ASN 34 1HD2 ASN 34 9.119 0.505 1.472 271 2HD2 ASN 34 2HD2 ASN 34 10.027 1.950 1.201 272 H ASN 35 H ASN 35 7.227 -0.485 -3.996 273 HA ASN 35 HA ASN 35 8.717 1.637 -5.138 274 1HB ASN 35 2HB ASN 35 8.257 -0.861 -5.929 275 2HB ASN 35 1HB ASN 35 6.991 -0.070 -6.862 276 1HD2 ASN 35 1HD2 ASN 35 10.163 -1.002 -6.852 277 2HD2 ASN 35 2HD2 ASN 35 10.750 -0.003 -8.134 278 H ALA 36 H ALA 36 5.352 1.248 -4.484 279 HA ALA 36 HA ALA 36 4.290 2.906 -6.503 280 1HB ALA 36 1HB ALA 36 2.586 3.218 -4.358 281 2HB ALA 36 2HB ALA 36 3.327 1.642 -4.078 282 3HB ALA 36 3HB ALA 36 2.491 1.965 -5.596 283 H LYS 37 H LYS 37 3.549 5.059 -6.406 284 HA LYS 37 HA LYS 37 5.233 6.770 -4.734 285 1HB LYS 37 2HB LYS 37 4.048 6.970 -7.414 286 2HB LYS 37 1HB LYS 37 3.922 8.445 -6.467 287 1HG LYS 37 2HG LYS 37 5.930 8.391 -7.869 288 2HG LYS 37 1HG LYS 37 6.319 8.490 -6.149 289 1HD LYS 37 2HD LYS 37 7.775 6.899 -7.306 290 2HD LYS 37 1HD LYS 37 6.760 6.085 -6.109 291 1HE LYS 37 2HE LYS 37 6.934 4.869 -8.266 292 2HE LYS 37 1HE LYS 37 5.282 5.287 -7.814 293 1HZ LYS 37 1HZ LYS 37 5.363 7.146 -9.335 294 2HZ LYS 37 2HZ LYS 37 5.717 5.717 -10.157 295 3HZ LYS 37 3HZ LYS 37 6.963 6.785 -9.751 296 H THR 38 H THR 38 1.883 6.069 -5.486 297 HA THR 38 HA THR 38 0.941 8.114 -3.628 298 HB THR 38 HB THR 38 -1.245 7.708 -4.502 299 HG1 THR 38 1HG THR 38 -1.744 5.735 -4.944 300 1HG2 THR 38 1HG2 THR 38 -1.060 8.173 -6.777 301 2HG2 THR 38 2HG2 THR 38 0.449 7.275 -6.933 302 3HG2 THR 38 3HG2 THR 38 0.423 8.814 -6.074 303 H VAL 39 H VAL 39 -1.485 6.423 -3.004 304 HA VAL 39 HA VAL 39 -0.244 4.373 -1.338 305 HB VAL 39 HB VAL 39 -0.731 6.652 -0.122 306 1HG1 VAL 39 1HG1 VAL 39 -3.131 6.646 -0.765 307 2HG1 VAL 39 2HG1 VAL 39 -2.846 6.719 0.977 308 3HG1 VAL 39 3HG1 VAL 39 -3.335 5.200 0.224 309 1HG2 VAL 39 1HG2 VAL 39 -1.309 5.126 1.914 310 2HG2 VAL 39 2HG2 VAL 39 0.255 4.983 1.105 311 3HG2 VAL 39 3HG2 VAL 39 -1.030 3.832 0.751 312 H GLU 40 H GLU 40 -3.282 5.732 -2.554 313 HA GLU 40 HA GLU 40 -5.044 3.765 -1.804 314 1HB GLU 40 2HB GLU 40 -4.896 5.688 -4.040 315 2HB GLU 40 1HB GLU 40 -5.973 4.322 -4.287 316 1HG GLU 40 2HG GLU 40 -6.154 5.815 -1.728 317 2HG GLU 40 1HG GLU 40 -6.805 6.560 -3.185 318 H GLY 41 H GLY 41 -2.598 3.636 -4.285 319 1HA GLY 41 2HA GLY 41 -3.590 1.097 -5.312 320 2HA GLY 41 1HA GLY 41 -2.186 1.983 -5.897 321 H VAL 42 H VAL 42 -1.077 2.325 -3.225 322 HA VAL 42 HA VAL 42 0.620 0.124 -3.100 323 HB VAL 42 HB VAL 42 -0.066 1.969 -0.814 324 1HG1 VAL 42 1HG1 VAL 42 1.151 0.202 0.080 325 2HG1 VAL 42 2HG1 VAL 42 2.389 1.410 -0.286 326 3HG1 VAL 42 3HG1 VAL 42 2.147 0.037 -1.372 327 1HG2 VAL 42 1HG2 VAL 42 0.761 2.918 -3.135 328 2HG2 VAL 42 2HG2 VAL 42 2.322 2.351 -2.546 329 3HG2 VAL 42 3HG2 VAL 42 1.409 3.530 -1.614 330 H GLU 43 H GLU 43 -2.163 0.905 -1.029 331 HA GLU 43 HA GLU 43 -1.982 -1.495 0.493 332 1HB GLU 43 2HB GLU 43 -4.498 -0.801 0.977 333 2HB GLU 43 1HB GLU 43 -3.149 0.079 1.683 334 1HG GLU 43 2HG GLU 43 -3.356 1.838 0.133 335 2HG GLU 43 1HG GLU 43 -4.447 0.907 -0.894 336 H SER 44 H SER 44 -4.200 -0.462 -2.087 337 HA SER 44 HA SER 44 -5.607 -2.890 -2.258 338 1HB SER 44 2HB SER 44 -6.731 -1.913 -4.007 339 2HB SER 44 1HB SER 44 -6.016 -0.465 -3.296 340 HG SER 44 HG SER 44 -4.257 -0.789 -4.822 341 H LEU 45 H LEU 45 -2.511 -1.913 -3.387 342 HA LEU 45 HA LEU 45 -2.119 -3.602 -5.575 343 1HB LEU 45 2HB LEU 45 -0.446 -2.104 -3.695 344 2HB LEU 45 1HB LEU 45 0.341 -3.528 -4.335 345 1HD1 LEU 45 1HD1 LEU 45 1.994 -2.114 -6.409 346 2HD1 LEU 45 2HD1 LEU 45 0.847 -2.774 -7.577 347 3HD1 LEU 45 3HD1 LEU 45 1.243 -3.684 -6.118 348 1HD2 LEU 45 1HD2 LEU 45 -1.081 -0.880 -7.289 349 2HD2 LEU 45 2HD2 LEU 45 -2.141 -1.686 -6.135 350 3HD2 LEU 45 3HD2 LEU 45 -1.335 -2.621 -7.392 351 H LYS 46 H LYS 46 -1.085 -4.191 -2.206 352 HA LYS 46 HA LYS 46 -0.459 -6.916 -2.719 353 1HB LYS 46 2HB LYS 46 0.713 -6.431 -0.882 354 2HB LYS 46 1HB LYS 46 -0.315 -5.072 -0.462 355 1HG LYS 46 2HG LYS 46 -1.210 -7.878 0.084 356 2HG LYS 46 1HG LYS 46 -0.072 -7.069 1.167 357 1HD LYS 46 2HD LYS 46 -1.632 -5.297 1.591 358 2HD LYS 46 1HD LYS 46 -2.739 -5.909 0.367 359 1HE LYS 46 2HE LYS 46 -3.600 -7.460 1.744 360 2HE LYS 46 1HE LYS 46 -2.029 -7.854 2.439 361 1HZ LYS 46 1HZ LYS 46 -2.178 -6.021 3.908 362 2HZ LYS 46 2HZ LYS 46 -3.659 -6.831 4.005 363 3HZ LYS 46 3HZ LYS 46 -3.539 -5.395 3.120 364 H ASN 47 H ASN 47 -3.284 -5.273 -1.387 365 HA ASN 47 HA ASN 47 -4.651 -7.604 -0.559 366 1HB ASN 47 2HB ASN 47 -5.241 -5.219 0.067 367 2HB ASN 47 1HB ASN 47 -5.945 -5.048 -1.538 368 1HD2 ASN 47 1HD2 ASN 47 -8.009 -4.721 -0.799 369 2HD2 ASN 47 2HD2 ASN 47 -8.953 -5.968 -0.065 370 H GLU 48 H GLU 48 -4.157 -6.144 -3.652 371 HA GLU 48 HA GLU 48 -6.277 -7.616 -4.957 372 1HB GLU 48 2HB GLU 48 -4.212 -5.653 -5.783 373 2HB GLU 48 1HB GLU 48 -4.709 -6.808 -7.009 374 1HG GLU 48 2HG GLU 48 -6.922 -5.561 -5.555 375 2HG GLU 48 1HG GLU 48 -5.940 -4.445 -6.504 376 H ILE 49 H ILE 49 -2.843 -7.899 -4.414 377 HA ILE 49 HA ILE 49 -2.372 -10.069 -6.193 378 HB ILE 49 HB ILE 49 -0.252 -10.330 -5.150 379 1HG1 ILE 49 2HG1 ILE 49 -0.802 -8.508 -2.871 380 2HG1 ILE 49 1HG1 ILE 49 -1.416 -10.143 -2.750 381 1HG2 ILE 49 1HG2 ILE 49 0.553 -8.389 -5.862 382 2HG2 ILE 49 2HG2 ILE 49 -0.269 -7.492 -4.586 383 3HG2 ILE 49 3HG2 ILE 49 -1.124 -7.887 -6.077 384 1HD1 ILE 49 1HD1 ILE 49 0.684 -11.047 -2.680 385 2HD1 ILE 49 2HD1 ILE 49 0.888 -9.533 -1.793 386 3HD1 ILE 49 3HD1 ILE 49 1.419 -9.652 -3.470 387 H LEU 50 H LEU 50 -3.604 -9.744 -2.990 388 HA LEU 50 HA LEU 50 -3.400 -12.528 -2.312 389 1HB LEU 50 2HB LEU 50 -4.755 -10.160 -1.027 390 2HB LEU 50 1HB LEU 50 -4.818 -11.775 -0.345 391 HG LEU 50 HG LEU 50 -2.122 -10.731 -0.956 392 1HD1 LEU 50 1HD1 LEU 50 -3.138 -8.729 -0.081 393 2HD1 LEU 50 2HD1 LEU 50 -2.049 -9.421 1.122 394 3HD1 LEU 50 3HD1 LEU 50 -3.793 -9.624 1.290 395 1HD2 LEU 50 1HD2 LEU 50 -3.446 -12.528 0.989 396 2HD2 LEU 50 2HD2 LEU 50 -2.000 -11.676 1.534 397 3HD2 LEU 50 3HD2 LEU 50 -1.926 -12.723 0.112 398 H LYS 51 H LYS 51 -5.810 -10.334 -3.607 399 HA LYS 51 HA LYS 51 -8.075 -11.971 -3.302 400 1HB LYS 51 2HB LYS 51 -7.402 -9.523 -4.651 401 2HB LYS 51 1HB LYS 51 -8.338 -10.544 -5.735 402 1HG LYS 51 2HG LYS 51 -9.980 -9.340 -4.674 403 2HG LYS 51 1HG LYS 51 -9.924 -10.809 -3.698 404 1HD LYS 51 2HD LYS 51 -8.754 -9.745 -1.964 405 2HD LYS 51 1HD LYS 51 -8.302 -8.382 -2.991 406 1HE LYS 51 2HE LYS 51 -10.295 -7.340 -2.715 407 2HE LYS 51 1HE LYS 51 -11.196 -8.854 -2.633 408 1HZ LYS 51 1HZ LYS 51 -10.575 -9.147 -0.382 409 2HZ LYS 51 2HZ LYS 51 -11.109 -7.548 -0.522 410 3HZ LYS 51 3HZ LYS 51 -9.452 -7.882 -0.440 411 H ALA 52 H ALA 52 -5.338 -12.185 -5.359 412 HA ALA 52 HA ALA 52 -6.412 -14.604 -6.566 413 1HB ALA 52 1HB ALA 52 -5.713 -13.936 -8.824 414 2HB ALA 52 2HB ALA 52 -5.292 -12.336 -8.211 415 3HB ALA 52 3HB ALA 52 -6.972 -12.877 -8.187 416 H LEU 53 H LEU 53 -4.819 -15.342 -4.924 417 HA LEU 53 HA LEU 53 -2.045 -14.841 -5.288 418 1HB LEU 53 2HB LEU 53 -3.724 -16.372 -3.501 419 2HB LEU 53 1HB LEU 53 -2.312 -17.299 -3.972 420 HG LEU 53 HG LEU 53 -1.352 -14.735 -3.322 421 1HD1 LEU 53 1HD1 LEU 53 -2.206 -14.204 -1.205 422 2HD1 LEU 53 2HD1 LEU 53 -3.063 -15.739 -1.069 423 3HD1 LEU 53 3HD1 LEU 53 -3.629 -14.511 -2.201 424 1HD2 LEU 53 1HD2 LEU 53 0.072 -16.450 -2.827 425 2HD2 LEU 53 2HD2 LEU 53 -1.209 -17.480 -2.188 426 3HD2 LEU 53 3HD2 LEU 53 -0.591 -16.141 -1.222 427 HA PRO 54 HA PRO 54 -1.475 -17.371 -8.946 428 1HB PRO 54 2HB PRO 54 1.342 -17.299 -7.987 429 2HB PRO 54 1HB PRO 54 0.686 -16.917 -9.583 430 1HG PRO 54 2HG PRO 54 1.471 -14.975 -7.943 431 2HG PRO 54 1HG PRO 54 0.020 -14.788 -8.945 432 1HD PRO 54 2HD PRO 54 0.246 -15.380 -6.025 433 2HD PRO 54 1HD PRO 54 -0.935 -14.370 -6.884 434 H THR 55 H THR 55 -2.543 -19.211 -8.016 435 HA THR 55 HA THR 55 -2.663 -21.379 -7.338 436 HB THR 55 HB THR 55 0.313 -21.630 -7.597 437 HG1 THR 55 1HG THR 55 0.114 -20.747 -9.495 438 1HG2 THR 55 1HG2 THR 55 -0.667 -23.664 -8.989 439 2HG2 THR 55 2HG2 THR 55 -2.026 -23.409 -7.894 440 3HG2 THR 55 3HG2 THR 55 -0.418 -23.736 -7.245 441 H GLU 56 H GLU 56 -3.251 -20.960 -5.210 442 HA GLU 56 HA GLU 56 -1.191 -20.600 -3.199 443 1HB GLU 56 2HB GLU 56 -3.569 -19.517 -3.275 444 2HB GLU 56 1HB GLU 56 -4.089 -21.042 -2.572 445 1HG GLU 56 2HG GLU 56 -2.521 -20.702 -0.715 446 2HG GLU 56 1HG GLU 56 -2.052 -19.153 -1.414 Start of MODEL 10 1 1H MET 1 1HT MET 1 1.667 19.425 13.150 2 2H MET 1 2HT MET 1 0.518 20.544 12.540 3 3H MET 1 3HT MET 1 2.010 20.300 11.717 4 HA MET 1 HA MET 1 1.422 18.152 11.101 5 1HB MET 1 2HB MET 1 0.031 18.110 13.430 6 2HB MET 1 1HB MET 1 -1.287 18.292 12.281 7 1HG MET 1 2HG MET 1 0.795 16.114 12.206 8 2HG MET 1 1HG MET 1 -0.844 15.951 12.839 9 1HE MET 1 1HE MET 1 -1.951 14.085 11.149 10 2HE MET 1 2HE MET 1 -2.888 14.997 9.967 11 3HE MET 1 3HE MET 1 -2.810 15.546 11.641 12 H GLU 2 H GLU 2 1.349 20.583 9.852 13 HA GLU 2 HA GLU 2 -1.145 21.365 8.824 14 1HB GLU 2 2HB GLU 2 1.656 21.957 8.316 15 2HB GLU 2 1HB GLU 2 0.707 21.958 6.834 16 1HG GLU 2 2HG GLU 2 0.261 24.071 7.365 17 2HG GLU 2 1HG GLU 2 -0.892 23.386 8.497 18 H ALA 3 H ALA 3 1.378 19.309 7.372 19 HA ALA 3 HA ALA 3 -0.616 17.648 6.114 20 1HB ALA 3 1HB ALA 3 1.270 19.017 4.229 21 2HB ALA 3 2HB ALA 3 -0.292 19.731 4.630 22 3HB ALA 3 3HB ALA 3 -0.213 18.139 3.871 23 H VAL 4 H VAL 4 0.125 15.632 6.077 24 HA VAL 4 HA VAL 4 2.923 15.078 5.542 25 HB VAL 4 HB VAL 4 1.704 14.030 8.099 26 1HG1 VAL 4 1HG1 VAL 4 4.619 14.121 7.460 27 2HG1 VAL 4 2HG1 VAL 4 3.614 12.847 6.772 28 3HG1 VAL 4 3HG1 VAL 4 3.737 13.030 8.523 29 1HG2 VAL 4 1HG2 VAL 4 1.974 16.423 8.335 30 2HG2 VAL 4 2HG2 VAL 4 3.625 16.331 7.724 31 3HG2 VAL 4 3HG2 VAL 4 3.216 15.596 9.273 32 H ASP 5 H ASP 5 1.002 14.456 3.845 33 HA ASP 5 HA ASP 5 -0.461 12.123 4.188 34 1HB ASP 5 2HB ASP 5 -0.254 11.935 1.644 35 2HB ASP 5 1HB ASP 5 -0.956 13.417 2.279 36 H ALA 6 H ALA 6 2.935 12.565 3.519 37 HA ALA 6 HA ALA 6 3.601 10.054 2.510 38 1HB ALA 6 1HB ALA 6 5.796 10.650 3.973 39 2HB ALA 6 2HB ALA 6 5.034 12.236 3.857 40 3HB ALA 6 3HB ALA 6 5.438 11.344 2.391 41 H ASN 7 H ASN 7 3.004 11.094 5.812 42 HA ASN 7 HA ASN 7 3.987 8.776 7.104 43 1HB ASN 7 2HB ASN 7 3.252 11.147 8.035 44 2HB ASN 7 1HB ASN 7 1.720 10.322 8.281 45 1HD2 ASN 7 1HD2 ASN 7 3.762 11.387 10.163 46 2HD2 ASN 7 2HD2 ASN 7 4.144 10.062 11.203 47 H SER 8 H SER 8 0.735 9.757 6.080 48 HA SER 8 HA SER 8 -0.535 7.368 6.946 49 1HB SER 8 2HB SER 8 -2.309 8.225 5.192 50 2HB SER 8 1HB SER 8 -2.051 9.105 6.700 51 HG SER 8 HG SER 8 -1.614 9.892 4.139 52 H LEU 9 H LEU 9 1.058 8.372 4.012 53 HA LEU 9 HA LEU 9 0.107 6.292 2.336 54 1HB LEU 9 2HB LEU 9 1.160 8.444 1.590 55 2HB LEU 9 1HB LEU 9 2.706 7.802 2.107 56 HG LEU 9 HG LEU 9 0.987 6.540 -0.022 57 1HD1 LEU 9 1HD1 LEU 9 3.285 8.455 -0.216 58 2HD1 LEU 9 2HD1 LEU 9 1.659 8.640 -0.871 59 3HD1 LEU 9 3HD1 LEU 9 2.756 7.441 -1.559 60 1HD2 LEU 9 1HD2 LEU 9 3.498 5.691 -0.477 61 2HD2 LEU 9 2HD2 LEU 9 2.327 4.806 0.500 62 3HD2 LEU 9 3HD2 LEU 9 3.531 5.832 1.280 63 H ALA 10 H ALA 10 3.045 6.715 4.272 64 HA ALA 10 HA ALA 10 4.299 4.310 3.525 65 1HB ALA 10 1HB ALA 10 4.854 5.344 6.228 66 2HB ALA 10 2HB ALA 10 5.090 6.478 4.897 67 3HB ALA 10 3HB ALA 10 5.958 4.943 4.912 68 H GLN 11 H GLN 11 1.648 4.882 5.617 69 HA GLN 11 HA GLN 11 2.038 2.535 7.235 70 1HB GLN 11 2HB GLN 11 0.940 4.362 8.296 71 2HB GLN 11 1HB GLN 11 -0.211 4.522 6.975 72 1HG GLN 11 2HG GLN 11 -1.098 2.304 7.548 73 2HG GLN 11 1HG GLN 11 -0.029 2.259 8.944 74 1HE2 GLN 11 1HE2 GLN 11 -1.732 2.153 10.393 75 2HE2 GLN 11 2HE2 GLN 11 -2.752 3.506 10.723 76 H ALA 12 H ALA 12 -0.029 3.494 4.521 77 HA ALA 12 HA ALA 12 -1.665 1.263 4.377 78 1HB ALA 12 1HB ALA 12 -0.591 2.322 1.827 79 2HB ALA 12 2HB ALA 12 -1.429 3.457 2.891 80 3HB ALA 12 3HB ALA 12 -2.260 2.011 2.311 81 H LYS 13 H LYS 13 1.634 1.734 3.336 82 HA LYS 13 HA LYS 13 1.833 -0.931 2.192 83 1HB LYS 13 2HB LYS 13 4.371 -0.070 2.138 84 2HB LYS 13 1HB LYS 13 3.190 0.366 0.917 85 1HG LYS 13 2HG LYS 13 2.912 2.501 1.743 86 2HG LYS 13 1HG LYS 13 3.573 2.076 3.328 87 1HD LYS 13 2HD LYS 13 5.129 2.230 0.740 88 2HD LYS 13 1HD LYS 13 5.147 3.442 2.021 89 1HE LYS 13 2HE LYS 13 5.715 0.935 3.210 90 2HE LYS 13 1HE LYS 13 6.718 1.075 1.765 91 1HZ LYS 13 1HZ LYS 13 7.045 3.490 2.819 92 2HZ LYS 13 2HZ LYS 13 8.053 2.181 3.179 93 3HZ LYS 13 3HZ LYS 13 6.802 2.600 4.237 94 H GLU 14 H GLU 14 3.404 0.914 4.817 95 HA GLU 14 HA GLU 14 4.913 -1.114 5.937 96 1HB GLU 14 2HB GLU 14 3.594 1.341 7.026 97 2HB GLU 14 1HB GLU 14 4.232 0.169 8.171 98 1HG GLU 14 2HG GLU 14 6.275 0.495 6.330 99 2HG GLU 14 1HG GLU 14 5.622 2.116 6.552 100 H ALA 15 H ALA 15 1.520 -0.359 6.225 101 HA ALA 15 HA ALA 15 0.980 -2.440 8.160 102 1HB ALA 15 1HB ALA 15 -0.302 -0.227 7.839 103 2HB ALA 15 2HB ALA 15 -1.227 -1.694 8.162 104 3HB ALA 15 3HB ALA 15 -1.118 -1.066 6.517 105 H ALA 16 H ALA 16 0.408 -1.931 4.689 106 HA ALA 16 HA ALA 16 -0.931 -4.356 4.189 107 1HB ALA 16 1HB ALA 16 0.614 -2.462 2.445 108 2HB ALA 16 2HB ALA 16 -1.124 -2.761 2.498 109 3HB ALA 16 3HB ALA 16 -0.043 -3.968 1.802 110 H ILE 17 H ILE 17 2.411 -3.596 4.654 111 HA ILE 17 HA ILE 17 3.495 -5.925 3.420 112 HB ILE 17 HB ILE 17 4.505 -3.588 4.757 113 1HG1 ILE 17 2HG1 ILE 17 6.477 -5.319 3.485 114 2HG1 ILE 17 1HG1 ILE 17 5.036 -5.098 2.497 115 1HG2 ILE 17 1HG2 ILE 17 6.456 -4.537 5.884 116 2HG2 ILE 17 2HG2 ILE 17 5.815 -6.160 5.625 117 3HG2 ILE 17 3HG2 ILE 17 4.951 -5.027 6.664 118 1HD1 ILE 17 1HD1 ILE 17 6.741 -2.898 3.641 119 2HD1 ILE 17 2HD1 ILE 17 5.304 -2.682 2.639 120 3HD1 ILE 17 3HD1 ILE 17 6.741 -3.453 1.966 121 H LYS 18 H LYS 18 2.416 -5.064 6.641 122 HA LYS 18 HA LYS 18 3.395 -7.268 8.060 123 1HB LYS 18 2HB LYS 18 1.585 -5.088 8.506 124 2HB LYS 18 1HB LYS 18 0.868 -6.566 9.135 125 1HG LYS 18 2HG LYS 18 2.447 -6.810 10.756 126 2HG LYS 18 1HG LYS 18 3.705 -6.017 9.805 127 1HD LYS 18 2HD LYS 18 2.709 -3.853 10.225 128 2HD LYS 18 1HD LYS 18 1.356 -4.607 11.071 129 1HE LYS 18 2HE LYS 18 2.943 -5.490 12.746 130 2HE LYS 18 1HE LYS 18 4.251 -4.644 11.920 131 1HZ LYS 18 1HZ LYS 18 1.957 -3.023 12.661 132 2HZ LYS 18 2HZ LYS 18 3.607 -2.664 12.741 133 3HZ LYS 18 3HZ LYS 18 2.893 -3.609 13.942 134 H GLU 19 H GLU 19 0.588 -6.884 6.004 135 HA GLU 19 HA GLU 19 -0.626 -9.369 6.746 136 1HB GLU 19 2HB GLU 19 -1.231 -7.151 4.973 137 2HB GLU 19 1HB GLU 19 -1.557 -8.693 4.194 138 1HG GLU 19 2HG GLU 19 -3.565 -8.069 5.223 139 2HG GLU 19 1HG GLU 19 -2.870 -9.310 6.264 140 H LEU 20 H LEU 20 1.437 -8.264 4.095 141 HA LEU 20 HA LEU 20 1.424 -10.667 2.634 142 1HB LEU 20 2HB LEU 20 2.633 -8.157 2.399 143 2HB LEU 20 1HB LEU 20 3.965 -9.294 2.487 144 HG LEU 20 HG LEU 20 2.152 -10.437 0.699 145 1HD1 LEU 20 1HD1 LEU 20 2.102 -7.496 0.573 146 2HD1 LEU 20 2HD1 LEU 20 0.909 -8.679 0.036 147 3HD1 LEU 20 3HD1 LEU 20 2.323 -8.337 -0.962 148 1HD2 LEU 20 1HD2 LEU 20 3.926 -10.436 -0.755 149 2HD2 LEU 20 2HD2 LEU 20 4.743 -10.245 0.794 150 3HD2 LEU 20 3HD2 LEU 20 4.483 -8.843 -0.243 151 H LYS 21 H LYS 21 3.167 -9.617 5.457 152 HA LYS 21 HA LYS 21 5.023 -11.833 5.405 153 1HB LYS 21 2HB LYS 21 5.664 -9.629 6.342 154 2HB LYS 21 1HB LYS 21 4.454 -9.832 7.602 155 1HG LYS 21 2HG LYS 21 5.744 -12.031 8.115 156 2HG LYS 21 1HG LYS 21 7.053 -11.246 7.230 157 1HD LYS 21 2HD LYS 21 7.592 -10.219 9.133 158 2HD LYS 21 1HD LYS 21 6.106 -9.284 8.959 159 1HE LYS 21 2HE LYS 21 6.332 -10.381 11.172 160 2HE LYS 21 1HE LYS 21 4.885 -10.870 10.289 161 1HZ LYS 21 1HZ LYS 21 7.339 -12.477 10.065 162 2HZ LYS 21 2HZ LYS 21 5.727 -12.956 9.892 163 3HZ LYS 21 3HZ LYS 21 6.355 -12.646 11.431 164 H GLN 22 H GLN 22 2.022 -10.941 6.995 165 HA GLN 22 HA GLN 22 2.037 -13.183 8.794 166 1HB GLN 22 2HB GLN 22 0.842 -10.990 9.199 167 2HB GLN 22 1HB GLN 22 -0.331 -11.490 7.989 168 1HG GLN 22 2HG GLN 22 -1.322 -12.057 10.010 169 2HG GLN 22 1HG GLN 22 -0.654 -13.578 9.422 170 1HE2 GLN 22 1HE2 GLN 22 -0.340 -14.593 11.325 171 2HE2 GLN 22 2HE2 GLN 22 0.734 -14.040 12.559 172 H TYR 23 H TYR 23 0.859 -12.501 5.592 173 HA TYR 23 HA TYR 23 -0.850 -14.803 5.414 174 1HB TYR 23 2HB TYR 23 0.048 -12.635 3.586 175 2HB TYR 23 1HB TYR 23 -0.471 -14.148 2.839 176 HD1 TYR 23 1HD TYR 23 -2.760 -15.083 3.899 177 HD2 TYR 23 2HD TYR 23 -1.545 -11.009 3.834 178 HE1 TYR 23 1HE TYR 23 -5.105 -14.387 4.105 179 HE2 TYR 23 2HE TYR 23 -3.885 -10.300 4.041 180 HH TYR 23 HH TYR 23 -6.245 -11.510 3.377 181 H GLY 24 H GLY 24 2.391 -13.928 4.298 182 1HA GLY 24 2HA GLY 24 4.099 -15.676 4.374 183 2HA GLY 24 1HA GLY 24 2.879 -16.795 3.786 184 H ILE 25 H ILE 25 2.193 -14.151 2.060 185 HA ILE 25 HA ILE 25 3.058 -15.115 -0.374 186 HB ILE 25 HB ILE 25 3.115 -12.177 -0.303 187 1HG1 ILE 25 2HG1 ILE 25 0.638 -13.659 0.614 188 2HG1 ILE 25 1HG1 ILE 25 1.533 -12.437 1.514 189 1HG2 ILE 25 1HG2 ILE 25 2.837 -12.926 -2.416 190 2HG2 ILE 25 2HG2 ILE 25 1.130 -12.830 -1.966 191 3HG2 ILE 25 3HG2 ILE 25 1.974 -14.378 -1.910 192 1HD1 ILE 25 1HD1 ILE 25 0.956 -10.959 -0.587 193 2HD1 ILE 25 2HD1 ILE 25 -0.193 -11.177 0.733 194 3HD1 ILE 25 3HD1 ILE 25 -0.358 -12.121 -0.747 195 H GLY 26 H GLY 26 4.621 -13.834 -1.907 196 1HA GLY 26 2HA GLY 26 7.238 -14.100 -0.733 197 2HA GLY 26 1HA GLY 26 6.877 -13.705 -2.411 198 H ASP 27 H ASP 27 8.913 -12.499 -0.847 199 HA ASP 27 HA ASP 27 8.115 -9.996 0.202 200 1HB ASP 27 2HB ASP 27 10.670 -11.315 -0.493 201 2HB ASP 27 1HB ASP 27 10.698 -9.554 -0.506 202 H TYR 28 H TYR 28 8.611 -11.123 -3.024 203 HA TYR 28 HA TYR 28 9.325 -8.892 -4.461 204 1HB TYR 28 2HB TYR 28 8.385 -11.340 -5.157 205 2HB TYR 28 1HB TYR 28 6.971 -10.357 -5.524 206 HD1 TYR 28 1HD TYR 28 8.665 -7.853 -6.230 207 HD2 TYR 28 2HD TYR 28 8.810 -11.914 -7.478 208 HE1 TYR 28 1HE TYR 28 9.674 -7.155 -8.346 209 HE2 TYR 28 2HE TYR 28 9.825 -11.227 -9.610 210 HH TYR 28 HH TYR 28 11.181 -9.265 -10.458 211 H TYR 29 H TYR 29 6.121 -9.778 -3.325 212 HA TYR 29 HA TYR 29 4.898 -7.394 -4.290 213 1HB TYR 29 2HB TYR 29 3.725 -9.374 -2.339 214 2HB TYR 29 1HB TYR 29 2.863 -8.283 -3.416 215 HD1 TYR 29 1HD TYR 29 4.850 -8.725 -5.777 216 HD2 TYR 29 2HD TYR 29 2.667 -11.378 -3.254 217 HE1 TYR 29 1HE TYR 29 4.926 -10.457 -7.524 218 HE2 TYR 29 2HE TYR 29 2.723 -13.103 -5.005 219 HH TYR 29 HH TYR 29 2.967 -13.144 -7.543 220 H ILE 30 H ILE 30 6.491 -8.173 -1.303 221 HA ILE 30 HA ILE 30 5.180 -6.090 0.192 222 HB ILE 30 HB ILE 30 6.506 -6.609 1.970 223 1HG1 ILE 30 2HG1 ILE 30 8.853 -7.728 1.583 224 2HG1 ILE 30 1HG1 ILE 30 8.701 -6.993 -0.010 225 1HG2 ILE 30 1HG2 ILE 30 7.253 -9.083 1.792 226 2HG2 ILE 30 2HG2 ILE 30 6.423 -9.020 0.240 227 3HG2 ILE 30 3HG2 ILE 30 5.546 -8.660 1.723 228 1HD1 ILE 30 1HD1 ILE 30 9.222 -5.765 2.585 229 2HD1 ILE 30 2HD1 ILE 30 8.016 -4.929 1.604 230 3HD1 ILE 30 3HD1 ILE 30 9.633 -5.217 0.960 231 H LYS 31 H LYS 31 7.942 -6.460 -1.868 232 HA LYS 31 HA LYS 31 9.013 -3.828 -1.399 233 1HB LYS 31 2HB LYS 31 9.678 -6.134 -3.179 234 2HB LYS 31 1HB LYS 31 10.357 -4.552 -3.534 235 1HG LYS 31 2HG LYS 31 11.823 -4.666 -1.847 236 2HG LYS 31 1HG LYS 31 10.643 -5.368 -0.740 237 1HD LYS 31 2HD LYS 31 11.015 -7.437 -2.435 238 2HD LYS 31 1HD LYS 31 12.606 -6.679 -2.503 239 1HE LYS 31 2HE LYS 31 12.634 -6.714 -0.002 240 2HE LYS 31 1HE LYS 31 11.151 -7.665 -0.056 241 1HZ LYS 31 1HZ LYS 31 12.736 -9.292 0.068 242 2HZ LYS 31 2HZ LYS 31 13.876 -8.431 -0.836 243 3HZ LYS 31 3HZ LYS 31 12.567 -9.170 -1.611 244 H LEU 32 H LEU 32 7.378 -5.495 -4.093 245 HA LEU 32 HA LEU 32 7.322 -3.421 -5.897 246 1HB LEU 32 2HB LEU 32 6.098 -4.834 -7.146 247 2HB LEU 32 1HB LEU 32 6.347 -5.961 -5.836 248 HG LEU 32 HG LEU 32 4.068 -6.078 -6.328 249 1HD1 LEU 32 1HD1 LEU 32 5.023 -5.113 -3.902 250 2HD1 LEU 32 2HD1 LEU 32 3.516 -6.000 -4.190 251 3HD1 LEU 32 3HD1 LEU 32 3.522 -4.235 -4.208 252 1HD2 LEU 32 1HD2 LEU 32 3.420 -3.235 -5.947 253 2HD2 LEU 32 2HD2 LEU 32 2.774 -4.402 -7.101 254 3HD2 LEU 32 3HD2 LEU 32 4.317 -3.610 -7.419 255 H ILE 33 H ILE 33 5.717 -3.654 -2.906 256 HA ILE 33 HA ILE 33 3.596 -1.793 -3.436 257 HB ILE 33 HB ILE 33 4.676 -3.194 -1.021 258 1HG1 ILE 33 2HG1 ILE 33 2.036 -3.003 -2.449 259 2HG1 ILE 33 1HG1 ILE 33 3.059 -4.414 -2.222 260 1HG2 ILE 33 1HG2 ILE 33 3.729 -0.542 -0.851 261 2HG2 ILE 33 2HG2 ILE 33 4.075 -1.662 0.462 262 3HG2 ILE 33 3HG2 ILE 33 2.455 -1.583 -0.224 263 1HD1 ILE 33 1HD1 ILE 33 0.861 -3.561 -0.674 264 2HD1 ILE 33 2HD1 ILE 33 2.302 -3.449 0.339 265 3HD1 ILE 33 3HD1 ILE 33 1.888 -4.975 -0.439 266 H ASN 34 H ASN 34 6.557 -1.670 -1.455 267 HA ASN 34 HA ASN 34 6.489 0.998 -0.754 268 1HB ASN 34 2HB ASN 34 8.079 -0.667 0.150 269 2HB ASN 34 1HB ASN 34 8.956 -0.635 -1.375 270 1HD2 ASN 34 1HD2 ASN 34 10.849 0.094 -0.473 271 2HD2 ASN 34 2HD2 ASN 34 11.039 1.697 0.142 272 H ASN 35 H ASN 35 7.191 -0.381 -3.849 273 HA ASN 35 HA ASN 35 8.677 1.802 -4.905 274 1HB ASN 35 2HB ASN 35 8.372 -0.694 -5.740 275 2HB ASN 35 1HB ASN 35 7.078 0.028 -6.691 276 1HD2 ASN 35 1HD2 ASN 35 7.669 0.586 -8.646 277 2HD2 ASN 35 2HD2 ASN 35 9.238 1.122 -9.128 278 H ALA 36 H ALA 36 5.307 1.281 -4.383 279 HA ALA 36 HA ALA 36 4.250 2.898 -6.426 280 1HB ALA 36 1HB ALA 36 3.262 1.601 -4.038 281 2HB ALA 36 2HB ALA 36 2.455 1.912 -5.574 282 3HB ALA 36 3HB ALA 36 2.481 3.156 -4.325 283 H LYS 37 H LYS 37 3.669 5.040 -6.519 284 HA LYS 37 HA LYS 37 5.155 6.804 -4.759 285 1HB LYS 37 2HB LYS 37 4.876 8.486 -6.375 286 2HB LYS 37 1HB LYS 37 5.092 7.014 -7.309 287 1HG LYS 37 2HG LYS 37 2.380 8.147 -6.671 288 2HG LYS 37 1HG LYS 37 3.299 8.613 -8.094 289 1HD LYS 37 2HD LYS 37 2.253 5.880 -7.412 290 2HD LYS 37 1HD LYS 37 1.779 6.911 -8.758 291 1HE LYS 37 2HE LYS 37 4.381 6.726 -9.293 292 2HE LYS 37 1HE LYS 37 4.182 5.208 -8.419 293 1HZ LYS 37 1HZ LYS 37 2.572 6.047 -10.770 294 2HZ LYS 37 2HZ LYS 37 2.448 4.570 -9.954 295 3HZ LYS 37 3HZ LYS 37 3.857 4.947 -10.811 296 H THR 38 H THR 38 1.855 5.984 -5.537 297 HA THR 38 HA THR 38 0.822 8.010 -3.701 298 HB THR 38 HB THR 38 -1.308 6.467 -4.713 299 HG1 THR 38 1HG THR 38 0.561 7.087 -6.749 300 1HG2 THR 38 1HG2 THR 38 -0.882 9.062 -4.446 301 2HG2 THR 38 2HG2 THR 38 -2.097 8.416 -5.549 302 3HG2 THR 38 3HG2 THR 38 -0.524 8.919 -6.167 303 H VAL 39 H VAL 39 -1.509 6.576 -2.856 304 HA VAL 39 HA VAL 39 -0.292 4.394 -1.318 305 HB VAL 39 HB VAL 39 -0.751 6.654 -0.070 306 1HG1 VAL 39 1HG1 VAL 39 -2.868 6.724 1.039 307 2HG1 VAL 39 2HG1 VAL 39 -3.384 5.242 0.233 308 3HG1 VAL 39 3HG1 VAL 39 -3.143 6.716 -0.704 309 1HG2 VAL 39 1HG2 VAL 39 -1.131 3.832 0.784 310 2HG2 VAL 39 2HG2 VAL 39 -1.331 5.137 1.953 311 3HG2 VAL 39 3HG2 VAL 39 0.209 4.926 1.113 312 H GLU 40 H GLU 40 -3.328 5.761 -2.525 313 HA GLU 40 HA GLU 40 -5.107 3.815 -1.768 314 1HB GLU 40 2HB GLU 40 -5.386 5.982 -3.235 315 2HB GLU 40 1HB GLU 40 -5.253 4.845 -4.569 316 1HG GLU 40 2HG GLU 40 -7.471 4.689 -4.347 317 2HG GLU 40 1HG GLU 40 -7.083 3.591 -3.030 318 H GLY 41 H GLY 41 -2.748 3.678 -4.371 319 1HA GLY 41 2HA GLY 41 -3.730 1.118 -5.316 320 2HA GLY 41 1HA GLY 41 -2.320 1.983 -5.913 321 H VAL 42 H VAL 42 -1.253 2.319 -3.184 322 HA VAL 42 HA VAL 42 0.460 0.127 -3.079 323 HB VAL 42 HB VAL 42 -0.267 1.946 -0.787 324 1HG1 VAL 42 1HG1 VAL 42 2.165 1.368 -0.203 325 2HG1 VAL 42 2HG1 VAL 42 1.947 0.006 -1.307 326 3HG1 VAL 42 3HG1 VAL 42 0.915 0.161 0.122 327 1HG2 VAL 42 1HG2 VAL 42 2.102 2.266 -2.587 328 2HG2 VAL 42 2HG2 VAL 42 1.370 3.440 -1.500 329 3HG2 VAL 42 3HG2 VAL 42 0.552 2.996 -2.999 330 H GLU 43 H GLU 43 -2.346 0.850 -1.012 331 HA GLU 43 HA GLU 43 -2.156 -1.571 0.469 332 1HB GLU 43 2HB GLU 43 -4.685 -0.938 0.934 333 2HB GLU 43 1HB GLU 43 -3.367 -0.021 1.652 334 1HG GLU 43 2HG GLU 43 -3.616 1.739 0.114 335 2HG GLU 43 1HG GLU 43 -4.659 0.776 -0.937 336 H SER 44 H SER 44 -4.324 -0.547 -2.154 337 HA SER 44 HA SER 44 -5.689 -3.002 -2.377 338 1HB SER 44 2HB SER 44 -6.799 -2.025 -4.136 339 2HB SER 44 1HB SER 44 -6.127 -0.570 -3.396 340 HG SER 44 HG SER 44 -4.329 -0.850 -4.890 341 H LEU 45 H LEU 45 -2.595 -1.936 -3.444 342 HA LEU 45 HA LEU 45 -2.120 -3.591 -5.638 343 1HB LEU 45 2HB LEU 45 -0.521 -2.080 -3.706 344 2HB LEU 45 1HB LEU 45 0.311 -3.475 -4.349 345 1HD1 LEU 45 1HD1 LEU 45 1.973 -1.992 -6.356 346 2HD1 LEU 45 2HD1 LEU 45 0.874 -2.650 -7.568 347 3HD1 LEU 45 3HD1 LEU 45 1.249 -3.583 -6.118 348 1HD2 LEU 45 1HD2 LEU 45 -1.315 -2.564 -7.436 349 2HD2 LEU 45 2HD2 LEU 45 -1.119 -0.817 -7.292 350 3HD2 LEU 45 3HD2 LEU 45 -2.180 -1.680 -6.179 351 H LYS 46 H LYS 46 -1.149 -4.202 -2.253 352 HA LYS 46 HA LYS 46 -0.470 -6.915 -2.793 353 1HB LYS 46 2HB LYS 46 0.698 -6.413 -0.954 354 2HB LYS 46 1HB LYS 46 -0.368 -5.090 -0.511 355 1HG LYS 46 2HG LYS 46 -1.175 -7.934 -0.008 356 2HG LYS 46 1HG LYS 46 -0.070 -7.098 1.088 357 1HD LYS 46 2HD LYS 46 -1.789 -5.259 1.244 358 2HD LYS 46 1HD LYS 46 -2.898 -6.329 0.389 359 1HE LYS 46 2HE LYS 46 -3.089 -7.774 2.151 360 2HE LYS 46 1HE LYS 46 -1.496 -7.373 2.790 361 1HZ LYS 46 1HZ LYS 46 -2.961 -6.408 4.286 362 2HZ LYS 46 2HZ LYS 46 -4.028 -5.885 3.082 363 3HZ LYS 46 3HZ LYS 46 -2.540 -5.107 3.290 364 H ASN 47 H ASN 47 -3.284 -5.344 -1.305 365 HA ASN 47 HA ASN 47 -4.623 -7.686 -0.542 366 1HB ASN 47 2HB ASN 47 -5.230 -5.274 0.053 367 2HB ASN 47 1HB ASN 47 -6.013 -5.183 -1.523 368 1HD2 ASN 47 1HD2 ASN 47 -7.368 -4.807 0.867 369 2HD2 ASN 47 2HD2 ASN 47 -8.495 -6.099 1.079 370 H GLU 48 H GLU 48 -4.211 -6.192 -3.646 371 HA GLU 48 HA GLU 48 -6.313 -7.697 -4.929 372 1HB GLU 48 2HB GLU 48 -4.207 -5.781 -5.823 373 2HB GLU 48 1HB GLU 48 -4.873 -6.883 -7.018 374 1HG GLU 48 2HG GLU 48 -7.163 -6.058 -6.214 375 2HG GLU 48 1HG GLU 48 -6.266 -4.737 -5.467 376 H ILE 49 H ILE 49 -2.840 -7.907 -4.511 377 HA ILE 49 HA ILE 49 -2.368 -10.071 -6.269 378 HB ILE 49 HB ILE 49 -0.240 -10.306 -5.252 379 1HG1 ILE 49 2HG1 ILE 49 -0.804 -8.554 -2.920 380 2HG1 ILE 49 1HG1 ILE 49 -1.390 -10.202 -2.838 381 1HG2 ILE 49 1HG2 ILE 49 -0.076 -7.558 -4.616 382 2HG2 ILE 49 2HG2 ILE 49 -1.252 -7.743 -5.916 383 3HG2 ILE 49 3HG2 ILE 49 0.383 -8.371 -6.111 384 1HD1 ILE 49 1HD1 ILE 49 1.430 -9.655 -3.572 385 2HD1 ILE 49 2HD1 ILE 49 0.722 -11.074 -2.799 386 3HD1 ILE 49 3HD1 ILE 49 0.917 -9.574 -1.888 387 H LEU 50 H LEU 50 -3.599 -9.799 -3.065 388 HA LEU 50 HA LEU 50 -3.351 -12.584 -2.408 389 1HB LEU 50 2HB LEU 50 -4.743 -10.246 -1.107 390 2HB LEU 50 1HB LEU 50 -4.774 -11.867 -0.434 391 HG LEU 50 HG LEU 50 -2.098 -10.785 -1.053 392 1HD1 LEU 50 1HD1 LEU 50 -2.078 -9.519 1.102 393 2HD1 LEU 50 2HD1 LEU 50 -3.838 -9.639 1.115 394 3HD1 LEU 50 3HD1 LEU 50 -3.021 -8.779 -0.192 395 1HD2 LEU 50 1HD2 LEU 50 -1.879 -12.771 0.022 396 2HD2 LEU 50 2HD2 LEU 50 -3.396 -12.587 0.905 397 3HD2 LEU 50 3HD2 LEU 50 -1.957 -11.720 1.438 398 H LYS 51 H LYS 51 -5.780 -10.435 -3.726 399 HA LYS 51 HA LYS 51 -8.049 -12.042 -3.407 400 1HB LYS 51 2HB LYS 51 -7.355 -9.659 -4.812 401 2HB LYS 51 1HB LYS 51 -8.178 -10.727 -5.941 402 1HG LYS 51 2HG LYS 51 -9.534 -10.643 -3.392 403 2HG LYS 51 1HG LYS 51 -9.349 -9.031 -4.086 404 1HD LYS 51 2HD LYS 51 -10.273 -9.960 -6.231 405 2HD LYS 51 1HD LYS 51 -10.647 -11.441 -5.346 406 1HE LYS 51 2HE LYS 51 -11.743 -8.680 -4.870 407 2HE LYS 51 1HE LYS 51 -12.626 -10.116 -5.392 408 1HZ LYS 51 1HZ LYS 51 -11.762 -9.328 -2.732 409 2HZ LYS 51 2HZ LYS 51 -11.609 -10.974 -3.094 410 3HZ LYS 51 3HZ LYS 51 -13.118 -10.220 -3.212 411 H ALA 52 H ALA 52 -5.300 -12.333 -5.461 412 HA ALA 52 HA ALA 52 -6.397 -14.799 -6.578 413 1HB ALA 52 1HB ALA 52 -5.111 -12.609 -8.202 414 2HB ALA 52 2HB ALA 52 -6.775 -13.182 -8.319 415 3HB ALA 52 3HB ALA 52 -5.444 -14.234 -8.802 416 H LEU 53 H LEU 53 -4.832 -15.124 -4.573 417 HA LEU 53 HA LEU 53 -2.030 -15.096 -5.270 418 1HB LEU 53 2HB LEU 53 -3.218 -14.833 -2.921 419 2HB LEU 53 1HB LEU 53 -3.069 -16.580 -2.903 420 HG LEU 53 HG LEU 53 -0.574 -15.258 -3.634 421 1HD1 LEU 53 1HD1 LEU 53 -1.978 -14.492 -1.112 422 2HD1 LEU 53 2HD1 LEU 53 -1.018 -13.500 -2.210 423 3HD1 LEU 53 3HD1 LEU 53 -0.221 -14.648 -1.135 424 1HD2 LEU 53 1HD2 LEU 53 0.167 -16.720 -1.663 425 2HD2 LEU 53 2HD2 LEU 53 -0.460 -17.528 -3.100 426 3HD2 LEU 53 3HD2 LEU 53 -1.485 -17.340 -1.677 427 HA PRO 54 HA PRO 54 -3.054 -19.973 -4.965 428 1HB PRO 54 2HB PRO 54 -5.661 -19.647 -6.387 429 2HB PRO 54 1HB PRO 54 -5.177 -20.855 -5.191 430 1HG PRO 54 2HG PRO 54 -6.749 -18.825 -4.498 431 2HG PRO 54 1HG PRO 54 -5.478 -19.403 -3.406 432 1HD PRO 54 2HD PRO 54 -5.561 -16.946 -5.088 433 2HD PRO 54 1HD PRO 54 -4.804 -17.208 -3.505 434 H THR 55 H THR 55 -1.408 -20.086 -6.447 435 HA THR 55 HA THR 55 -2.204 -19.939 -9.279 436 HB THR 55 HB THR 55 0.620 -19.399 -8.447 437 HG1 THR 55 1HG THR 55 -0.042 -17.719 -7.393 438 1HG2 THR 55 1HG2 THR 55 0.667 -17.997 -10.405 439 2HG2 THR 55 2HG2 THR 55 -1.053 -18.274 -10.678 440 3HG2 THR 55 3HG2 THR 55 0.090 -19.608 -10.832 441 H GLU 56 H GLU 56 0.272 -21.251 -7.077 442 HA GLU 56 HA GLU 56 1.336 -23.258 -7.004 443 1HB GLU 56 2HB GLU 56 -1.358 -23.814 -7.627 444 2HB GLU 56 1HB GLU 56 -0.392 -24.846 -8.673 445 1HG GLU 56 2HG GLU 56 -0.825 -26.086 -6.720 446 2HG GLU 56 1HG GLU 56 0.860 -25.574 -6.620 Start of MODEL 11 1 1H MET 1 1HT MET 1 0.079 25.705 12.086 2 2H MET 1 2HT MET 1 1.426 24.781 12.612 3 3H MET 1 3HT MET 1 -0.133 24.071 12.554 4 HA MET 1 HA MET 1 -0.187 24.044 10.273 5 1HB MET 1 2HB MET 1 1.616 25.166 8.954 6 2HB MET 1 1HB MET 1 0.613 26.278 9.862 7 1HG MET 1 2HG MET 1 3.001 25.366 11.286 8 2HG MET 1 1HG MET 1 3.321 26.291 9.822 9 1HE MET 1 1HE MET 1 4.577 28.144 11.487 10 2HE MET 1 2HE MET 1 3.578 29.595 11.426 11 3HE MET 1 3HE MET 1 3.798 28.621 9.979 12 H GLU 2 H GLU 2 0.465 22.158 9.437 13 HA GLU 2 HA GLU 2 3.158 21.208 9.694 14 1HB GLU 2 2HB GLU 2 1.269 20.488 11.705 15 2HB GLU 2 1HB GLU 2 1.634 19.053 10.754 16 1HG GLU 2 2HG GLU 2 4.091 19.674 11.099 17 2HG GLU 2 1HG GLU 2 3.499 20.763 12.354 18 H ALA 3 H ALA 3 3.143 18.742 8.939 19 HA ALA 3 HA ALA 3 1.071 18.056 7.082 20 1HB ALA 3 1HB ALA 3 2.808 19.841 6.061 21 2HB ALA 3 2HB ALA 3 1.985 18.620 5.098 22 3HB ALA 3 3HB ALA 3 3.634 18.339 5.656 23 H VAL 4 H VAL 4 1.076 15.908 6.655 24 HA VAL 4 HA VAL 4 3.466 14.315 6.874 25 HB VAL 4 HB VAL 4 2.432 12.787 8.613 26 1HG1 VAL 4 1HG1 VAL 4 3.398 13.964 10.425 27 2HG1 VAL 4 2HG1 VAL 4 3.121 15.525 9.647 28 3HG1 VAL 4 3HG1 VAL 4 4.315 14.413 8.993 29 1HG2 VAL 4 1HG2 VAL 4 0.570 13.332 9.752 30 2HG2 VAL 4 2HG2 VAL 4 0.215 14.291 8.317 31 3HG2 VAL 4 3HG2 VAL 4 0.928 15.056 9.735 32 H ASP 5 H ASP 5 1.817 14.724 4.721 33 HA ASP 5 HA ASP 5 -0.258 12.829 4.429 34 1HB ASP 5 2HB ASP 5 0.111 13.203 1.959 35 2HB ASP 5 1HB ASP 5 -0.162 14.669 2.899 36 H ALA 6 H ALA 6 3.212 12.664 3.858 37 HA ALA 6 HA ALA 6 3.211 10.170 2.508 38 1HB ALA 6 1HB ALA 6 5.593 10.857 4.107 39 2HB ALA 6 2HB ALA 6 5.078 12.064 2.935 40 3HB ALA 6 3HB ALA 6 5.450 10.432 2.401 41 H ASN 7 H ASN 7 3.199 11.081 5.886 42 HA ASN 7 HA ASN 7 4.068 8.689 7.035 43 1HB ASN 7 2HB ASN 7 2.294 10.916 7.970 44 2HB ASN 7 1HB ASN 7 2.462 9.467 8.956 45 1HD2 ASN 7 1HD2 ASN 7 4.893 8.762 9.072 46 2HD2 ASN 7 2HD2 ASN 7 5.976 10.030 9.532 47 H SER 8 H SER 8 0.783 9.737 6.169 48 HA SER 8 HA SER 8 -0.483 7.346 7.015 49 1HB SER 8 2HB SER 8 -1.414 9.779 6.329 50 2HB SER 8 1HB SER 8 -1.722 8.922 4.822 51 HG SER 8 HG SER 8 -2.793 7.309 6.169 52 H LEU 9 H LEU 9 1.039 8.387 4.057 53 HA LEU 9 HA LEU 9 0.042 6.340 2.364 54 1HB LEU 9 2HB LEU 9 1.094 8.503 1.639 55 2HB LEU 9 1HB LEU 9 2.645 7.849 2.123 56 HG LEU 9 HG LEU 9 0.900 6.596 0.013 57 1HD1 LEU 9 1HD1 LEU 9 2.549 7.565 -1.577 58 2HD1 LEU 9 2HD1 LEU 9 3.175 8.538 -0.243 59 3HD1 LEU 9 3HD1 LEU 9 1.508 8.748 -0.787 60 1HD2 LEU 9 1HD2 LEU 9 2.292 4.893 0.458 61 2HD2 LEU 9 2HD2 LEU 9 3.475 5.933 1.255 62 3HD2 LEU 9 3HD2 LEU 9 3.432 5.832 -0.506 63 H ALA 10 H ALA 10 3.014 6.719 4.256 64 HA ALA 10 HA ALA 10 4.247 4.316 3.465 65 1HB ALA 10 1HB ALA 10 5.383 4.722 5.841 66 2HB ALA 10 2HB ALA 10 4.657 6.311 5.607 67 3HB ALA 10 3HB ALA 10 5.788 5.675 4.413 68 H GLN 11 H GLN 11 1.616 4.875 5.582 69 HA GLN 11 HA GLN 11 2.011 2.514 7.182 70 1HB GLN 11 2HB GLN 11 0.914 4.333 8.258 71 2HB GLN 11 1HB GLN 11 -0.242 4.497 6.941 72 1HG GLN 11 2HG GLN 11 -1.128 2.281 7.500 73 2HG GLN 11 1HG GLN 11 -0.050 2.219 8.888 74 1HE2 GLN 11 1HE2 GLN 11 -2.393 1.895 9.726 75 2HE2 GLN 11 2HE2 GLN 11 -3.158 3.326 10.321 76 H ALA 12 H ALA 12 -0.018 3.485 4.453 77 HA ALA 12 HA ALA 12 -1.681 1.277 4.296 78 1HB ALA 12 1HB ALA 12 -0.550 2.311 1.761 79 2HB ALA 12 2HB ALA 12 -1.399 3.456 2.805 80 3HB ALA 12 3HB ALA 12 -2.231 2.016 2.214 81 H LYS 13 H LYS 13 1.639 1.700 3.280 82 HA LYS 13 HA LYS 13 1.802 -0.989 2.190 83 1HB LYS 13 2HB LYS 13 4.347 -0.190 2.113 84 2HB LYS 13 1HB LYS 13 3.173 0.267 0.894 85 1HG LYS 13 2HG LYS 13 2.971 2.418 1.685 86 2HG LYS 13 1HG LYS 13 3.607 1.992 3.280 87 1HD LYS 13 2HD LYS 13 5.773 2.147 2.599 88 2HD LYS 13 1HD LYS 13 5.409 1.561 0.974 89 1HE LYS 13 2HE LYS 13 5.202 3.631 0.166 90 2HE LYS 13 1HE LYS 13 4.200 4.143 1.522 91 1HZ LYS 13 1HZ LYS 13 6.242 5.406 1.442 92 2HZ LYS 13 2HZ LYS 13 7.166 3.990 1.511 93 3HZ LYS 13 3HZ LYS 13 6.217 4.446 2.836 94 H GLU 14 H GLU 14 3.383 0.881 4.794 95 HA GLU 14 HA GLU 14 4.866 -1.139 5.958 96 1HB GLU 14 2HB GLU 14 3.583 1.355 6.964 97 2HB GLU 14 1HB GLU 14 4.089 0.181 8.171 98 1HG GLU 14 2HG GLU 14 5.755 1.972 7.638 99 2HG GLU 14 1HG GLU 14 6.349 0.318 7.506 100 H ALA 15 H ALA 15 1.469 -0.403 6.146 101 HA ALA 15 HA ALA 15 0.913 -2.492 8.083 102 1HB ALA 15 1HB ALA 15 -0.348 -0.253 7.788 103 2HB ALA 15 2HB ALA 15 -1.278 -1.716 8.116 104 3HB ALA 15 3HB ALA 15 -1.182 -1.081 6.473 105 H ALA 16 H ALA 16 0.587 -1.960 4.610 106 HA ALA 16 HA ALA 16 -0.886 -4.302 4.031 107 1HB ALA 16 1HB ALA 16 0.046 -3.958 1.690 108 2HB ALA 16 2HB ALA 16 0.866 -2.540 2.338 109 3HB ALA 16 3HB ALA 16 -0.894 -2.632 2.371 110 H ILE 17 H ILE 17 2.499 -3.711 4.594 111 HA ILE 17 HA ILE 17 3.399 -6.181 3.443 112 HB ILE 17 HB ILE 17 4.936 -4.290 3.610 113 1HG1 ILE 17 2HG1 ILE 17 5.957 -6.425 5.474 114 2HG1 ILE 17 1HG1 ILE 17 5.690 -6.741 3.763 115 1HG2 ILE 17 1HG2 ILE 17 4.358 -4.536 6.528 116 2HG2 ILE 17 2HG2 ILE 17 4.402 -3.099 5.508 117 3HG2 ILE 17 3HG2 ILE 17 5.905 -3.891 5.982 118 1HD1 ILE 17 1HD1 ILE 17 7.208 -4.744 3.334 119 2HD1 ILE 17 2HD1 ILE 17 7.956 -6.223 3.937 120 3HD1 ILE 17 3HD1 ILE 17 7.655 -4.875 5.035 121 H LYS 18 H LYS 18 2.351 -5.063 6.583 122 HA LYS 18 HA LYS 18 3.255 -7.193 8.165 123 1HB LYS 18 2HB LYS 18 1.410 -4.977 8.418 124 2HB LYS 18 1HB LYS 18 0.765 -6.414 9.202 125 1HG LYS 18 2HG LYS 18 3.501 -6.182 9.916 126 2HG LYS 18 1HG LYS 18 2.735 -4.610 10.148 127 1HD LYS 18 2HD LYS 18 1.383 -7.084 11.142 128 2HD LYS 18 1HD LYS 18 2.706 -6.374 12.071 129 1HE LYS 18 2HE LYS 18 0.984 -5.236 13.002 130 2HE LYS 18 1HE LYS 18 1.293 -4.164 11.644 131 1HZ LYS 18 1HZ LYS 18 -0.560 -6.348 11.155 132 2HZ LYS 18 2HZ LYS 18 -0.625 -4.737 10.643 133 3HZ LYS 18 3HZ LYS 18 -1.104 -5.146 12.210 134 H GLU 19 H GLU 19 0.627 -6.915 5.917 135 HA GLU 19 HA GLU 19 -0.657 -9.357 6.782 136 1HB GLU 19 2HB GLU 19 -1.193 -7.236 4.793 137 2HB GLU 19 1HB GLU 19 -1.745 -8.843 4.345 138 1HG GLU 19 2HG GLU 19 -3.582 -8.376 5.500 139 2HG GLU 19 1HG GLU 19 -2.599 -8.597 6.947 140 H LEU 20 H LEU 20 1.447 -8.265 4.181 141 HA LEU 20 HA LEU 20 1.417 -10.650 2.688 142 1HB LEU 20 2HB LEU 20 2.642 -8.144 2.490 143 2HB LEU 20 1HB LEU 20 3.964 -9.294 2.554 144 HG LEU 20 HG LEU 20 2.129 -10.394 0.759 145 1HD1 LEU 20 1HD1 LEU 20 0.913 -8.645 0.070 146 2HD1 LEU 20 2HD1 LEU 20 2.358 -8.229 -0.850 147 3HD1 LEU 20 3HD1 LEU 20 2.056 -7.466 0.711 148 1HD2 LEU 20 1HD2 LEU 20 3.900 -10.422 -0.680 149 2HD2 LEU 20 2HD2 LEU 20 4.734 -10.199 0.856 150 3HD2 LEU 20 3HD2 LEU 20 4.455 -8.818 -0.205 151 H LYS 21 H LYS 21 3.148 -9.668 5.548 152 HA LYS 21 HA LYS 21 4.947 -11.939 5.418 153 1HB LYS 21 2HB LYS 21 5.945 -11.071 7.435 154 2HB LYS 21 1HB LYS 21 5.733 -9.756 6.290 155 1HG LYS 21 2HG LYS 21 4.539 -8.605 7.750 156 2HG LYS 21 1HG LYS 21 3.427 -9.952 7.975 157 1HD LYS 21 2HD LYS 21 4.582 -10.779 9.794 158 2HD LYS 21 1HD LYS 21 6.098 -10.020 9.303 159 1HE LYS 21 2HE LYS 21 3.789 -8.283 10.026 160 2HE LYS 21 1HE LYS 21 4.687 -9.078 11.318 161 1HZ LYS 21 1HZ LYS 21 5.887 -7.335 9.234 162 2HZ LYS 21 2HZ LYS 21 6.705 -8.049 10.530 163 3HZ LYS 21 3HZ LYS 21 5.541 -6.858 10.820 164 H GLN 22 H GLN 22 2.006 -10.961 7.076 165 HA GLN 22 HA GLN 22 2.073 -13.172 8.917 166 1HB GLN 22 2HB GLN 22 0.128 -12.320 9.826 167 2HB GLN 22 1HB GLN 22 0.851 -10.870 9.146 168 1HG GLN 22 2HG GLN 22 -0.588 -11.236 7.117 169 2HG GLN 22 1HG GLN 22 -1.416 -12.495 8.029 170 1HE2 GLN 22 1HE2 GLN 22 -0.233 -9.249 8.852 171 2HE2 GLN 22 2HE2 GLN 22 -1.741 -8.669 9.462 172 H TYR 23 H TYR 23 0.876 -12.595 5.714 173 HA TYR 23 HA TYR 23 -0.835 -14.923 5.667 174 1HB TYR 23 2HB TYR 23 0.032 -12.911 3.597 175 2HB TYR 23 1HB TYR 23 -0.860 -14.365 3.147 176 HD1 TYR 23 1HD TYR 23 -2.884 -14.679 5.131 177 HD2 TYR 23 2HD TYR 23 -1.333 -11.083 3.481 178 HE1 TYR 23 1HE TYR 23 -4.994 -13.536 5.655 179 HE2 TYR 23 2HE TYR 23 -3.433 -9.929 3.997 180 HH TYR 23 HH TYR 23 -5.519 -10.735 6.067 181 H GLY 24 H GLY 24 2.371 -14.010 4.518 182 1HA GLY 24 2HA GLY 24 4.087 -15.731 4.498 183 2HA GLY 24 1HA GLY 24 2.864 -16.858 3.931 184 H ILE 25 H ILE 25 2.212 -14.087 2.295 185 HA ILE 25 HA ILE 25 2.973 -15.051 -0.193 186 HB ILE 25 HB ILE 25 3.073 -12.114 -0.052 187 1HG1 ILE 25 2HG1 ILE 25 0.645 -13.616 0.941 188 2HG1 ILE 25 1HG1 ILE 25 1.518 -12.320 1.755 189 1HG2 ILE 25 1HG2 ILE 25 0.935 -13.454 -1.532 190 2HG2 ILE 25 2HG2 ILE 25 2.564 -13.998 -1.950 191 3HG2 ILE 25 3HG2 ILE 25 2.143 -12.292 -2.073 192 1HD1 ILE 25 1HD1 ILE 25 -0.292 -11.173 0.971 193 2HD1 ILE 25 2HD1 ILE 25 -0.447 -12.184 -0.465 194 3HD1 ILE 25 3HD1 ILE 25 0.816 -10.959 -0.387 195 H GLY 26 H GLY 26 4.534 -13.742 -1.733 196 1HA GLY 26 2HA GLY 26 7.165 -14.055 -0.573 197 2HA GLY 26 1HA GLY 26 6.796 -13.702 -2.258 198 H ASP 27 H ASP 27 8.857 -12.482 -0.733 199 HA ASP 27 HA ASP 27 8.107 -9.942 0.254 200 1HB ASP 27 2HB ASP 27 10.657 -11.268 -0.513 201 2HB ASP 27 1HB ASP 27 10.663 -9.508 -0.430 202 H TYR 28 H TYR 28 8.634 -11.152 -2.951 203 HA TYR 28 HA TYR 28 9.320 -8.958 -4.449 204 1HB TYR 28 2HB TYR 28 8.385 -11.434 -5.068 205 2HB TYR 28 1HB TYR 28 6.977 -10.460 -5.475 206 HD1 TYR 28 1HD TYR 28 8.608 -7.977 -6.277 207 HD2 TYR 28 2HD TYR 28 8.896 -12.085 -7.336 208 HE1 TYR 28 1HE TYR 28 9.629 -7.344 -8.407 209 HE2 TYR 28 2HE TYR 28 9.925 -11.463 -9.483 210 HH TYR 28 HH TYR 28 11.359 -8.874 -10.153 211 H TYR 29 H TYR 29 6.135 -9.841 -3.283 212 HA TYR 29 HA TYR 29 4.878 -7.503 -4.316 213 1HB TYR 29 2HB TYR 29 3.746 -9.501 -2.353 214 2HB TYR 29 1HB TYR 29 2.846 -8.414 -3.405 215 HD1 TYR 29 1HD TYR 29 4.885 -8.802 -5.774 216 HD2 TYR 29 2HD TYR 29 2.672 -11.495 -3.323 217 HE1 TYR 29 1HE TYR 29 4.993 -10.506 -7.541 218 HE2 TYR 29 2HE TYR 29 2.758 -13.193 -5.096 219 HH TYR 29 HH TYR 29 4.077 -13.766 -7.031 220 H ILE 30 H ILE 30 6.481 -8.171 -1.312 221 HA ILE 30 HA ILE 30 5.138 -6.058 0.119 222 HB ILE 30 HB ILE 30 6.460 -6.515 1.918 223 1HG1 ILE 30 2HG1 ILE 30 8.822 -7.606 1.583 224 2HG1 ILE 30 1HG1 ILE 30 8.669 -6.941 -0.040 225 1HG2 ILE 30 1HG2 ILE 30 7.250 -8.986 1.803 226 2HG2 ILE 30 2HG2 ILE 30 6.401 -8.975 0.261 227 3HG2 ILE 30 3HG2 ILE 30 5.535 -8.587 1.744 228 1HD1 ILE 30 1HD1 ILE 30 7.946 -4.822 1.495 229 2HD1 ILE 30 2HD1 ILE 30 9.565 -5.107 0.850 230 3HD1 ILE 30 3HD1 ILE 30 9.173 -5.599 2.498 231 H LYS 31 H LYS 31 7.907 -6.489 -1.918 232 HA LYS 31 HA LYS 31 8.989 -3.852 -1.537 233 1HB LYS 31 2HB LYS 31 9.948 -6.266 -2.502 234 2HB LYS 31 1HB LYS 31 9.833 -5.265 -3.940 235 1HG LYS 31 2HG LYS 31 12.023 -5.000 -3.085 236 2HG LYS 31 1HG LYS 31 11.147 -3.515 -2.711 237 1HD LYS 31 2HD LYS 31 12.521 -4.307 -0.820 238 2HD LYS 31 1HD LYS 31 10.801 -4.252 -0.430 239 1HE LYS 31 2HE LYS 31 10.706 -6.457 -0.068 240 2HE LYS 31 1HE LYS 31 11.628 -6.819 -1.528 241 1HZ LYS 31 1HZ LYS 31 13.642 -6.108 -0.210 242 2HZ LYS 31 2HZ LYS 31 12.929 -7.569 0.252 243 3HZ LYS 31 3HZ LYS 31 12.663 -6.172 1.168 244 H LEU 32 H LEU 32 7.347 -5.566 -4.203 245 HA LEU 32 HA LEU 32 7.278 -3.514 -6.030 246 1HB LEU 32 2HB LEU 32 6.045 -4.937 -7.261 247 2HB LEU 32 1HB LEU 32 6.313 -6.053 -5.945 248 HG LEU 32 HG LEU 32 4.029 -6.187 -6.419 249 1HD1 LEU 32 1HD1 LEU 32 3.504 -6.107 -4.274 250 2HD1 LEU 32 2HD1 LEU 32 3.487 -4.342 -4.302 251 3HD1 LEU 32 3HD1 LEU 32 5.002 -5.204 -4.006 252 1HD2 LEU 32 1HD2 LEU 32 2.709 -4.520 -7.175 253 2HD2 LEU 32 2HD2 LEU 32 4.246 -3.730 -7.530 254 3HD2 LEU 32 3HD2 LEU 32 3.377 -3.341 -6.045 255 H ILE 33 H ILE 33 5.674 -3.729 -3.039 256 HA ILE 33 HA ILE 33 3.534 -1.903 -3.564 257 HB ILE 33 HB ILE 33 4.680 -3.260 -1.165 258 1HG1 ILE 33 2HG1 ILE 33 1.976 -3.015 -2.462 259 2HG1 ILE 33 1HG1 ILE 33 2.989 -4.444 -2.314 260 1HG2 ILE 33 1HG2 ILE 33 3.844 -0.595 -0.946 261 2HG2 ILE 33 2HG2 ILE 33 4.125 -1.745 0.355 262 3HG2 ILE 33 3HG2 ILE 33 2.513 -1.570 -0.332 263 1HD1 ILE 33 1HD1 ILE 33 2.354 -3.449 0.290 264 2HD1 ILE 33 2HD1 ILE 33 1.977 -5.009 -0.437 265 3HD1 ILE 33 3HD1 ILE 33 0.881 -3.645 -0.660 266 H ASN 34 H ASN 34 6.537 -1.674 -1.660 267 HA ASN 34 HA ASN 34 6.437 1.014 -1.033 268 1HB ASN 34 2HB ASN 34 8.180 -0.978 -0.527 269 2HB ASN 34 1HB ASN 34 9.111 -0.067 -1.711 270 1HD2 ASN 34 1HD2 ASN 34 10.637 0.610 -0.249 271 2HD2 ASN 34 2HD2 ASN 34 10.303 1.769 0.989 272 H ASN 35 H ASN 35 7.103 -0.447 -4.099 273 HA ASN 35 HA ASN 35 8.569 1.656 -5.281 274 1HB ASN 35 2HB ASN 35 7.654 -0.878 -6.059 275 2HB ASN 35 1HB ASN 35 6.921 0.248 -7.197 276 1HD2 ASN 35 1HD2 ASN 35 9.611 -1.561 -6.516 277 2HD2 ASN 35 2HD2 ASN 35 10.739 -0.785 -7.571 278 H ALA 36 H ALA 36 5.175 1.221 -4.676 279 HA ALA 36 HA ALA 36 4.104 2.950 -6.600 280 1HB ALA 36 1HB ALA 36 2.325 1.992 -5.672 281 2HB ALA 36 2HB ALA 36 2.441 3.242 -4.433 282 3HB ALA 36 3HB ALA 36 3.185 1.665 -4.168 283 H LYS 37 H LYS 37 3.375 5.084 -6.474 284 HA LYS 37 HA LYS 37 5.078 6.786 -4.810 285 1HB LYS 37 2HB LYS 37 3.465 7.328 -7.305 286 2HB LYS 37 1HB LYS 37 4.276 8.581 -6.389 287 1HG LYS 37 2HG LYS 37 5.542 6.282 -7.846 288 2HG LYS 37 1HG LYS 37 5.667 7.994 -8.226 289 1HD LYS 37 2HD LYS 37 7.611 7.837 -7.092 290 2HD LYS 37 1HD LYS 37 6.565 7.985 -5.678 291 1HE LYS 37 2HE LYS 37 6.440 5.321 -6.136 292 2HE LYS 37 1HE LYS 37 8.074 5.669 -6.682 293 1HZ LYS 37 1HZ LYS 37 7.219 6.785 -4.114 294 2HZ LYS 37 2HZ LYS 37 8.745 6.244 -4.601 295 3HZ LYS 37 3HZ LYS 37 7.553 5.129 -4.183 296 H THR 38 H THR 38 1.725 6.085 -5.542 297 HA THR 38 HA THR 38 0.782 8.132 -3.693 298 HB THR 38 HB THR 38 -1.407 7.688 -4.534 299 HG1 THR 38 1HG THR 38 -1.880 5.692 -4.911 300 1HG2 THR 38 1HG2 THR 38 -1.246 8.251 -6.738 301 2HG2 THR 38 2HG2 THR 38 0.111 7.168 -7.037 302 3HG2 THR 38 3HG2 THR 38 0.364 8.685 -6.174 303 H VAL 39 H VAL 39 -1.614 6.404 -3.021 304 HA VAL 39 HA VAL 39 -0.323 4.401 -1.339 305 HB VAL 39 HB VAL 39 -0.811 6.688 -0.147 306 1HG1 VAL 39 1HG1 VAL 39 -2.911 6.726 1.007 307 2HG1 VAL 39 2HG1 VAL 39 -3.408 5.224 0.226 308 3HG1 VAL 39 3HG1 VAL 39 -3.210 6.692 -0.732 309 1HG2 VAL 39 1HG2 VAL 39 0.205 5.051 1.093 310 2HG2 VAL 39 2HG2 VAL 39 -1.062 3.875 0.760 311 3HG2 VAL 39 3HG2 VAL 39 -1.352 5.175 1.915 312 H GLU 40 H GLU 40 -3.414 5.714 -2.486 313 HA GLU 40 HA GLU 40 -5.130 3.729 -1.689 314 1HB GLU 40 2HB GLU 40 -5.299 5.902 -3.372 315 2HB GLU 40 1HB GLU 40 -5.599 4.553 -4.457 316 1HG GLU 40 2HG GLU 40 -7.457 3.826 -3.170 317 2HG GLU 40 1HG GLU 40 -7.069 4.946 -1.866 318 H GLY 41 H GLY 41 -2.767 3.626 -4.262 319 1HA GLY 41 2HA GLY 41 -3.745 1.072 -5.250 320 2HA GLY 41 1HA GLY 41 -2.353 1.963 -5.853 321 H VAL 42 H VAL 42 -1.161 2.312 -3.241 322 HA VAL 42 HA VAL 42 0.521 0.107 -3.134 323 HB VAL 42 HB VAL 42 -0.102 1.975 -0.850 324 1HG1 VAL 42 1HG1 VAL 42 2.358 1.410 -0.362 325 2HG1 VAL 42 2HG1 VAL 42 2.092 0.031 -1.433 326 3HG1 VAL 42 3HG1 VAL 42 1.124 0.208 0.037 327 1HG2 VAL 42 1HG2 VAL 42 0.716 2.835 -3.242 328 2HG2 VAL 42 2HG2 VAL 42 2.274 2.352 -2.576 329 3HG2 VAL 42 3HG2 VAL 42 1.290 3.542 -1.734 330 H GLU 43 H GLU 43 -2.236 0.883 -1.029 331 HA GLU 43 HA GLU 43 -2.001 -1.476 0.540 332 1HB GLU 43 2HB GLU 43 -4.566 -0.834 0.954 333 2HB GLU 43 1HB GLU 43 -3.240 0.032 1.716 334 1HG GLU 43 2HG GLU 43 -3.391 1.810 0.163 335 2HG GLU 43 1HG GLU 43 -4.493 0.900 -0.873 336 H SER 44 H SER 44 -4.377 -0.579 -1.959 337 HA SER 44 HA SER 44 -5.621 -3.084 -2.102 338 1HB SER 44 2HB SER 44 -5.986 -0.608 -3.275 339 2HB SER 44 1HB SER 44 -5.549 -1.635 -4.642 340 HG SER 44 HG SER 44 -7.206 -3.119 -3.736 341 H LEU 45 H LEU 45 -2.612 -1.950 -3.331 342 HA LEU 45 HA LEU 45 -2.174 -3.605 -5.522 343 1HB LEU 45 2HB LEU 45 -0.554 -2.054 -3.659 344 2HB LEU 45 1HB LEU 45 0.282 -3.477 -4.230 345 1HD1 LEU 45 1HD1 LEU 45 1.322 -3.604 -5.903 346 2HD1 LEU 45 2HD1 LEU 45 1.840 -2.082 -6.628 347 3HD1 LEU 45 3HD1 LEU 45 0.639 -3.082 -7.443 348 1HD2 LEU 45 1HD2 LEU 45 -1.148 -0.820 -7.181 349 2HD2 LEU 45 2HD2 LEU 45 -2.200 -1.706 -6.078 350 3HD2 LEU 45 3HD2 LEU 45 -1.375 -2.557 -7.383 351 H LYS 46 H LYS 46 -1.123 -4.211 -2.162 352 HA LYS 46 HA LYS 46 -0.425 -6.911 -2.691 353 1HB LYS 46 2HB LYS 46 0.686 -6.398 -0.814 354 2HB LYS 46 1HB LYS 46 -0.423 -5.105 -0.388 355 1HG LYS 46 2HG LYS 46 -1.187 -7.971 0.055 356 2HG LYS 46 1HG LYS 46 -0.125 -7.132 1.193 357 1HD LYS 46 2HD LYS 46 -1.873 -5.329 1.344 358 2HD LYS 46 1HD LYS 46 -2.942 -6.385 0.424 359 1HE LYS 46 2HE LYS 46 -3.267 -7.802 2.155 360 2HE LYS 46 1HE LYS 46 -1.633 -7.581 2.782 361 1HZ LYS 46 1HZ LYS 46 -3.694 -6.629 4.044 362 2HZ LYS 46 2HZ LYS 46 -3.522 -5.344 2.958 363 3HZ LYS 46 3HZ LYS 46 -2.245 -5.757 3.987 364 H ASN 47 H ASN 47 -3.292 -5.364 -1.310 365 HA ASN 47 HA ASN 47 -4.659 -7.713 -0.594 366 1HB ASN 47 2HB ASN 47 -5.379 -5.457 0.121 367 2HB ASN 47 1HB ASN 47 -5.828 -5.075 -1.538 368 1HD2 ASN 47 1HD2 ASN 47 -7.911 -5.198 -1.893 369 2HD2 ASN 47 2HD2 ASN 47 -9.018 -6.284 -1.133 370 H GLU 48 H GLU 48 -4.130 -6.180 -3.655 371 HA GLU 48 HA GLU 48 -6.168 -7.668 -5.050 372 1HB GLU 48 2HB GLU 48 -4.068 -5.695 -5.783 373 2HB GLU 48 1HB GLU 48 -4.583 -6.807 -7.044 374 1HG GLU 48 2HG GLU 48 -6.875 -6.078 -6.797 375 2HG GLU 48 1HG GLU 48 -6.418 -5.023 -5.460 376 H ILE 49 H ILE 49 -2.738 -7.920 -4.423 377 HA ILE 49 HA ILE 49 -2.203 -10.056 -6.217 378 HB ILE 49 HB ILE 49 -0.111 -10.317 -5.122 379 1HG1 ILE 49 2HG1 ILE 49 -0.644 -8.514 -2.844 380 2HG1 ILE 49 1HG1 ILE 49 -1.386 -10.098 -2.742 381 1HG2 ILE 49 1HG2 ILE 49 -0.232 -7.470 -4.537 382 2HG2 ILE 49 2HG2 ILE 49 -0.950 -7.905 -6.087 383 3HG2 ILE 49 3HG2 ILE 49 0.721 -8.346 -5.734 384 1HD1 ILE 49 1HD1 ILE 49 0.961 -9.640 -1.750 385 2HD1 ILE 49 2HD1 ILE 49 1.488 -9.867 -3.417 386 3HD1 ILE 49 3HD1 ILE 49 0.625 -11.159 -2.584 387 H LEU 50 H LEU 50 -3.547 -9.804 -3.056 388 HA LEU 50 HA LEU 50 -3.322 -12.591 -2.400 389 1HB LEU 50 2HB LEU 50 -4.780 -10.261 -1.162 390 2HB LEU 50 1HB LEU 50 -4.861 -11.886 -0.504 391 HG LEU 50 HG LEU 50 -2.142 -10.835 -0.961 392 1HD1 LEU 50 1HD1 LEU 50 -2.228 -9.557 1.184 393 2HD1 LEU 50 2HD1 LEU 50 -3.986 -9.654 1.099 394 3HD1 LEU 50 3HD1 LEU 50 -3.088 -8.810 -0.163 395 1HD2 LEU 50 1HD2 LEU 50 -2.078 -12.852 0.112 396 2HD2 LEU 50 2HD2 LEU 50 -3.583 -12.559 0.988 397 3HD2 LEU 50 3HD2 LEU 50 -2.094 -11.764 1.502 398 H LYS 51 H LYS 51 -5.684 -10.460 -3.853 399 HA LYS 51 HA LYS 51 -7.921 -12.178 -3.673 400 1HB LYS 51 2HB LYS 51 -8.106 -9.787 -4.241 401 2HB LYS 51 1HB LYS 51 -7.276 -10.084 -5.762 402 1HG LYS 51 2HG LYS 51 -9.179 -11.717 -6.269 403 2HG LYS 51 1HG LYS 51 -10.024 -10.940 -4.929 404 1HD LYS 51 2HD LYS 51 -9.453 -8.735 -6.150 405 2HD LYS 51 1HD LYS 51 -9.156 -9.769 -7.549 406 1HE LYS 51 2HE LYS 51 -11.450 -8.865 -7.502 407 2HE LYS 51 1HE LYS 51 -11.406 -10.629 -7.442 408 1HZ LYS 51 1HZ LYS 51 -11.472 -9.195 -4.899 409 2HZ LYS 51 2HZ LYS 51 -12.183 -10.668 -5.327 410 3HZ LYS 51 3HZ LYS 51 -12.892 -9.216 -5.810 411 H ALA 52 H ALA 52 -5.065 -12.246 -5.560 412 HA ALA 52 HA ALA 52 -5.935 -14.680 -6.870 413 1HB ALA 52 1HB ALA 52 -4.978 -12.307 -8.470 414 2HB ALA 52 2HB ALA 52 -6.620 -12.954 -8.456 415 3HB ALA 52 3HB ALA 52 -5.296 -13.921 -9.107 416 H LEU 53 H LEU 53 -4.324 -15.510 -5.400 417 HA LEU 53 HA LEU 53 -1.562 -14.731 -5.856 418 1HB LEU 53 2HB LEU 53 -2.984 -16.469 -3.892 419 2HB LEU 53 1HB LEU 53 -1.271 -16.732 -4.158 420 HG LEU 53 HG LEU 53 -2.439 -14.066 -3.367 421 1HD1 LEU 53 1HD1 LEU 53 -2.557 -16.190 -1.753 422 2HD1 LEU 53 2HD1 LEU 53 -2.233 -14.559 -1.168 423 3HD1 LEU 53 3HD1 LEU 53 -0.899 -15.683 -1.431 424 1HD2 LEU 53 1HD2 LEU 53 -0.132 -14.351 -4.541 425 2HD2 LEU 53 2HD2 LEU 53 0.386 -14.947 -2.965 426 3HD2 LEU 53 3HD2 LEU 53 -0.272 -13.318 -3.119 427 HA PRO 54 HA PRO 54 -0.484 -17.985 -8.621 428 1HB PRO 54 2HB PRO 54 1.982 -18.724 -7.780 429 2HB PRO 54 1HB PRO 54 1.671 -17.178 -8.578 430 1HG PRO 54 2HG PRO 54 1.968 -17.777 -5.659 431 2HG PRO 54 1HG PRO 54 2.637 -16.430 -6.599 432 1HD PRO 54 2HD PRO 54 0.423 -16.183 -5.052 433 2HD PRO 54 1HD PRO 54 0.663 -15.243 -6.540 434 H THR 55 H THR 55 -2.177 -19.413 -7.792 435 HA THR 55 HA THR 55 -1.083 -21.644 -6.207 436 HB THR 55 HB THR 55 -3.401 -22.113 -5.497 437 HG1 THR 55 1HG THR 55 -4.846 -21.281 -6.774 438 1HG2 THR 55 1HG2 THR 55 -3.694 -19.571 -4.504 439 2HG2 THR 55 2HG2 THR 55 -1.957 -19.705 -4.774 440 3HG2 THR 55 3HG2 THR 55 -2.784 -20.885 -3.758 441 H GLU 56 H GLU 56 -3.148 -20.739 -8.923 442 HA GLU 56 HA GLU 56 -3.083 -23.526 -9.857 443 1HB GLU 56 2HB GLU 56 -4.939 -21.238 -10.508 444 2HB GLU 56 1HB GLU 56 -4.926 -22.745 -11.414 445 1HG GLU 56 2HG GLU 56 -5.927 -23.914 -9.757 446 2HG GLU 56 1HG GLU 56 -5.178 -22.959 -8.478 Start of MODEL 12 1 1H MET 1 1HT MET 1 -9.589 11.118 8.723 2 2H MET 1 2HT MET 1 -8.852 11.369 10.253 3 3H MET 1 3HT MET 1 -9.416 9.815 9.828 4 HA MET 1 HA MET 1 -6.979 10.187 9.682 5 1HB MET 1 2HB MET 1 -8.791 9.122 7.561 6 2HB MET 1 1HB MET 1 -7.063 9.147 7.245 7 1HG MET 1 2HG MET 1 -8.384 7.814 9.602 8 2HG MET 1 1HG MET 1 -7.825 7.000 8.139 9 1HE MET 1 1HE MET 1 -6.910 8.221 11.663 10 2HE MET 1 2HE MET 1 -5.523 7.136 11.797 11 3HE MET 1 3HE MET 1 -7.094 6.503 11.304 12 H GLU 2 H GLU 2 -5.808 11.991 9.441 13 HA GLU 2 HA GLU 2 -5.222 13.021 6.891 14 1HB GLU 2 2HB GLU 2 -7.519 14.005 7.242 15 2HB GLU 2 1HB GLU 2 -6.842 14.929 8.579 16 1HG GLU 2 2HG GLU 2 -5.216 15.273 6.255 17 2HG GLU 2 1HG GLU 2 -6.897 15.609 5.855 18 H ALA 3 H ALA 3 -3.324 14.100 6.936 19 HA ALA 3 HA ALA 3 -2.420 15.569 9.215 20 1HB ALA 3 1HB ALA 3 -1.958 13.455 10.180 21 2HB ALA 3 2HB ALA 3 -0.416 14.101 9.625 22 3HB ALA 3 3HB ALA 3 -1.237 12.857 8.685 23 H VAL 4 H VAL 4 -0.468 13.621 6.999 24 HA VAL 4 HA VAL 4 0.158 16.018 5.438 25 HB VAL 4 HB VAL 4 2.340 14.247 6.535 26 1HG1 VAL 4 1HG1 VAL 4 3.526 16.558 5.853 27 2HG1 VAL 4 2HG1 VAL 4 2.217 16.533 4.674 28 3HG1 VAL 4 3HG1 VAL 4 3.362 15.197 4.755 29 1HG2 VAL 4 1HG2 VAL 4 1.467 15.374 8.428 30 2HG2 VAL 4 2HG2 VAL 4 1.285 16.878 7.539 31 3HG2 VAL 4 3HG2 VAL 4 2.896 16.279 7.936 32 H ASP 5 H ASP 5 -1.005 13.061 5.282 33 HA ASP 5 HA ASP 5 -1.302 11.561 3.630 34 1HB ASP 5 2HB ASP 5 -0.225 13.889 2.230 35 2HB ASP 5 1HB ASP 5 0.100 12.369 1.406 36 H ALA 6 H ALA 6 2.060 12.761 3.297 37 HA ALA 6 HA ALA 6 3.238 10.425 2.445 38 1HB ALA 6 1HB ALA 6 5.210 11.481 3.988 39 2HB ALA 6 2HB ALA 6 4.161 12.877 3.746 40 3HB ALA 6 3HB ALA 6 4.813 12.017 2.354 41 H ASN 7 H ASN 7 2.398 11.381 5.734 42 HA ASN 7 HA ASN 7 3.767 9.256 7.028 43 1HB ASN 7 2HB ASN 7 2.485 11.528 7.873 44 2HB ASN 7 1HB ASN 7 1.361 10.269 8.381 45 1HD2 ASN 7 1HD2 ASN 7 2.373 11.621 10.357 46 2HD2 ASN 7 2HD2 ASN 7 3.620 10.756 11.184 47 H SER 8 H SER 8 0.381 9.713 6.059 48 HA SER 8 HA SER 8 -0.475 7.159 6.960 49 1HB SER 8 2HB SER 8 -1.976 9.147 6.563 50 2HB SER 8 1HB SER 8 -1.785 8.863 4.832 51 HG SER 8 HG SER 8 -2.586 6.691 5.291 52 H LEU 9 H LEU 9 0.871 8.389 3.990 53 HA LEU 9 HA LEU 9 0.203 6.304 2.257 54 1HB LEU 9 2HB LEU 9 1.212 8.547 1.674 55 2HB LEU 9 1HB LEU 9 2.758 7.899 2.185 56 HG LEU 9 HG LEU 9 1.087 6.766 -0.060 57 1HD1 LEU 9 1HD1 LEU 9 3.631 8.338 -0.289 58 2HD1 LEU 9 2HD1 LEU 9 2.029 9.064 -0.424 59 3HD1 LEU 9 3HD1 LEU 9 2.535 7.833 -1.579 60 1HD2 LEU 9 1HD2 LEU 9 3.612 5.963 1.249 61 2HD2 LEU 9 2HD2 LEU 9 3.547 5.853 -0.510 62 3HD2 LEU 9 3HD2 LEU 9 2.371 4.978 0.473 63 H ALA 10 H ALA 10 3.019 6.768 4.351 64 HA ALA 10 HA ALA 10 4.368 4.409 3.581 65 1HB ALA 10 1HB ALA 10 5.691 4.797 5.671 66 2HB ALA 10 2HB ALA 10 4.624 6.154 6.012 67 3HB ALA 10 3HB ALA 10 5.629 6.162 4.561 68 H GLN 11 H GLN 11 1.715 4.959 5.697 69 HA GLN 11 HA GLN 11 2.116 2.572 7.262 70 1HB GLN 11 2HB GLN 11 1.084 4.404 8.386 71 2HB GLN 11 1HB GLN 11 -0.113 4.590 7.109 72 1HG GLN 11 2HG GLN 11 -1.022 2.400 7.679 73 2HG GLN 11 1HG GLN 11 0.124 2.272 9.007 74 1HE2 GLN 11 1HE2 GLN 11 -2.897 3.429 7.999 75 2HE2 GLN 11 2HE2 GLN 11 -3.315 4.297 9.425 76 H ALA 12 H ALA 12 -0.003 3.606 4.616 77 HA ALA 12 HA ALA 12 -1.709 1.440 4.494 78 1HB ALA 12 1HB ALA 12 -2.278 2.168 2.410 79 2HB ALA 12 2HB ALA 12 -0.598 2.432 1.931 80 3HB ALA 12 3HB ALA 12 -1.412 3.595 2.982 81 H LYS 13 H LYS 13 1.541 1.789 3.190 82 HA LYS 13 HA LYS 13 1.619 -0.918 2.179 83 1HB LYS 13 2HB LYS 13 4.196 -0.183 2.071 84 2HB LYS 13 1HB LYS 13 3.021 0.276 0.855 85 1HG LYS 13 2HG LYS 13 2.888 2.443 1.585 86 2HG LYS 13 1HG LYS 13 3.482 2.041 3.203 87 1HD LYS 13 2HD LYS 13 5.686 1.985 2.517 88 2HD LYS 13 1HD LYS 13 5.262 1.603 0.846 89 1HE LYS 13 2HE LYS 13 5.236 3.754 0.272 90 2HE LYS 13 1HE LYS 13 4.221 4.178 1.649 91 1HZ LYS 13 1HZ LYS 13 6.055 5.295 2.268 92 2HZ LYS 13 2HZ LYS 13 7.105 4.328 1.360 93 3HZ LYS 13 3HZ LYS 13 6.549 3.790 2.864 94 H GLU 14 H GLU 14 3.439 0.890 4.678 95 HA GLU 14 HA GLU 14 4.849 -1.150 5.837 96 1HB GLU 14 2HB GLU 14 3.557 1.311 6.968 97 2HB GLU 14 1HB GLU 14 4.311 0.155 8.059 98 1HG GLU 14 2HG GLU 14 5.972 0.907 5.772 99 2HG GLU 14 1HG GLU 14 5.579 2.237 6.861 100 H ALA 15 H ALA 15 1.473 -0.339 6.160 101 HA ALA 15 HA ALA 15 0.969 -2.440 8.103 102 1HB ALA 15 1HB ALA 15 -1.167 -0.924 6.650 103 2HB ALA 15 2HB ALA 15 -0.234 -0.165 7.940 104 3HB ALA 15 3HB ALA 15 -1.195 -1.604 8.277 105 H ALA 16 H ALA 16 0.361 -1.822 4.670 106 HA ALA 16 HA ALA 16 -1.190 -4.130 4.179 107 1HB ALA 16 1HB ALA 16 -0.508 -3.748 1.774 108 2HB ALA 16 2HB ALA 16 0.446 -2.383 2.354 109 3HB ALA 16 3HB ALA 16 -1.303 -2.394 2.577 110 H ILE 17 H ILE 17 2.238 -3.629 4.470 111 HA ILE 17 HA ILE 17 2.956 -6.088 3.163 112 HB ILE 17 HB ILE 17 5.225 -5.661 3.975 113 1HG1 ILE 17 2HG1 ILE 17 3.990 -3.278 5.363 114 2HG1 ILE 17 1HG1 ILE 17 4.679 -4.688 6.156 115 1HG2 ILE 17 1HG2 ILE 17 4.069 -3.093 2.919 116 2HG2 ILE 17 2HG2 ILE 17 4.248 -4.542 1.932 117 3HG2 ILE 17 3HG2 ILE 17 5.671 -3.770 2.629 118 1HD1 ILE 17 1HD1 ILE 17 6.867 -4.113 5.455 119 2HD1 ILE 17 2HD1 ILE 17 6.131 -2.651 6.113 120 3HD1 ILE 17 3HD1 ILE 17 6.259 -2.866 4.366 121 H LYS 18 H LYS 18 2.329 -5.009 6.438 122 HA LYS 18 HA LYS 18 3.401 -7.112 7.902 123 1HB LYS 18 2HB LYS 18 1.654 -4.948 8.387 124 2HB LYS 18 1HB LYS 18 0.813 -6.386 8.953 125 1HG LYS 18 2HG LYS 18 3.286 -6.788 9.992 126 2HG LYS 18 1HG LYS 18 3.172 -5.028 10.038 127 1HD LYS 18 2HD LYS 18 0.991 -5.250 11.201 128 2HD LYS 18 1HD LYS 18 1.230 -6.998 11.242 129 1HE LYS 18 2HE LYS 18 3.293 -6.671 12.532 130 2HE LYS 18 1HE LYS 18 3.023 -4.929 12.511 131 1HZ LYS 18 1HZ LYS 18 2.294 -6.040 14.574 132 2HZ LYS 18 2HZ LYS 18 1.132 -6.887 13.683 133 3HZ LYS 18 3HZ LYS 18 1.053 -5.201 13.788 134 H GLU 19 H GLU 19 0.372 -6.897 6.117 135 HA GLU 19 HA GLU 19 -0.640 -9.423 6.943 136 1HB GLU 19 2HB GLU 19 -1.483 -7.285 5.246 137 2HB GLU 19 1HB GLU 19 -1.587 -8.779 4.325 138 1HG GLU 19 2HG GLU 19 -3.687 -8.277 5.434 139 2HG GLU 19 1HG GLU 19 -2.979 -9.765 6.061 140 H LEU 20 H LEU 20 1.410 -8.299 4.339 141 HA LEU 20 HA LEU 20 1.491 -10.706 2.862 142 1HB LEU 20 2HB LEU 20 2.648 -8.131 2.707 143 2HB LEU 20 1HB LEU 20 3.977 -9.275 2.699 144 HG LEU 20 HG LEU 20 2.265 -10.407 0.898 145 1HD1 LEU 20 1HD1 LEU 20 0.697 -8.816 0.509 146 2HD1 LEU 20 2HD1 LEU 20 1.937 -8.230 -0.601 147 3HD1 LEU 20 3HD1 LEU 20 1.761 -7.494 0.991 148 1HD2 LEU 20 1HD2 LEU 20 4.824 -9.407 0.935 149 2HD2 LEU 20 2HD2 LEU 20 4.038 -8.476 -0.338 150 3HD2 LEU 20 3HD2 LEU 20 4.053 -10.236 -0.416 151 H LYS 21 H LYS 21 3.194 -9.522 5.666 152 HA LYS 21 HA LYS 21 5.146 -11.640 5.680 153 1HB LYS 21 2HB LYS 21 5.611 -9.406 6.660 154 2HB LYS 21 1HB LYS 21 4.377 -9.705 7.877 155 1HG LYS 21 2HG LYS 21 5.958 -11.904 8.152 156 2HG LYS 21 1HG LYS 21 7.135 -10.666 7.712 157 1HD LYS 21 2HD LYS 21 7.121 -10.089 9.870 158 2HD LYS 21 1HD LYS 21 5.532 -9.389 9.559 159 1HE LYS 21 2HE LYS 21 4.453 -11.446 10.232 160 2HE LYS 21 1HE LYS 21 6.018 -12.234 10.433 161 1HZ LYS 21 1HZ LYS 21 5.268 -9.820 11.970 162 2HZ LYS 21 2HZ LYS 21 6.509 -10.923 12.292 163 3HZ LYS 21 3HZ LYS 21 4.896 -11.379 12.511 164 H GLN 22 H GLN 22 2.048 -10.937 7.157 165 HA GLN 22 HA GLN 22 2.111 -13.203 8.929 166 1HB GLN 22 2HB GLN 22 0.593 -10.885 8.746 167 2HB GLN 22 1HB GLN 22 -0.541 -12.157 8.313 168 1HG GLN 22 2HG GLN 22 -0.861 -12.392 10.497 169 2HG GLN 22 1HG GLN 22 0.705 -13.203 10.514 170 1HE2 GLN 22 1HE2 GLN 22 2.595 -11.848 10.917 171 2HE2 GLN 22 2HE2 GLN 22 2.437 -10.492 11.976 172 H TYR 23 H TYR 23 1.095 -12.554 5.677 173 HA TYR 23 HA TYR 23 -0.475 -14.971 5.429 174 1HB TYR 23 2HB TYR 23 0.210 -12.665 3.676 175 2HB TYR 23 1HB TYR 23 -0.189 -14.189 2.884 176 HD1 TYR 23 1HD TYR 23 -1.517 -11.187 3.925 177 HD2 TYR 23 2HD TYR 23 -2.370 -15.351 4.009 178 HE1 TYR 23 1HE TYR 23 -3.905 -10.685 4.179 179 HE2 TYR 23 2HE TYR 23 -4.762 -14.863 4.263 180 HH TYR 23 HH TYR 23 -5.933 -11.716 4.969 181 H GLY 24 H GLY 24 2.662 -13.759 4.307 182 1HA GLY 24 2HA GLY 24 4.567 -15.207 4.206 183 2HA GLY 24 1HA GLY 24 3.482 -16.552 3.891 184 H ILE 25 H ILE 25 2.431 -13.989 2.040 185 HA ILE 25 HA ILE 25 2.957 -15.164 -0.402 186 HB ILE 25 HB ILE 25 3.041 -12.245 -0.636 187 1HG1 ILE 25 2HG1 ILE 25 0.730 -13.523 0.848 188 2HG1 ILE 25 1HG1 ILE 25 1.802 -12.264 1.455 189 1HG2 ILE 25 1HG2 ILE 25 0.731 -13.848 -1.546 190 2HG2 ILE 25 2HG2 ILE 25 2.308 -14.285 -2.209 191 3HG2 ILE 25 3HG2 ILE 25 1.691 -12.647 -2.406 192 1HD1 ILE 25 1HD1 ILE 25 -0.303 -12.052 -0.667 193 2HD1 ILE 25 2HD1 ILE 25 0.955 -10.834 -0.458 194 3HD1 ILE 25 3HD1 ILE 25 -0.173 -11.169 0.855 195 H GLY 26 H GLY 26 4.335 -14.018 -2.231 196 1HA GLY 26 2HA GLY 26 7.049 -14.401 -1.498 197 2HA GLY 26 1HA GLY 26 6.466 -13.816 -3.053 198 H ASP 27 H ASP 27 8.730 -12.997 -1.260 199 HA ASP 27 HA ASP 27 8.244 -10.508 -0.094 200 1HB ASP 27 2HB ASP 27 10.683 -10.121 -0.348 201 2HB ASP 27 1HB ASP 27 10.318 -11.714 0.309 202 H TYR 28 H TYR 28 8.457 -11.434 -3.393 203 HA TYR 28 HA TYR 28 9.304 -9.205 -4.751 204 1HB TYR 28 2HB TYR 28 8.204 -11.515 -5.536 205 2HB TYR 28 1HB TYR 28 6.781 -10.487 -5.692 206 HD1 TYR 28 1HD TYR 28 6.433 -10.039 -7.925 207 HD2 TYR 28 2HD TYR 28 10.388 -9.840 -6.378 208 HE1 TYR 28 1HE TYR 28 7.228 -9.187 -10.086 209 HE2 TYR 28 2HE TYR 28 11.196 -8.992 -8.531 210 HH TYR 28 HH TYR 28 9.072 -7.949 -11.018 211 H TYR 29 H TYR 29 6.108 -9.851 -3.452 212 HA TYR 29 HA TYR 29 4.932 -7.443 -4.370 213 1HB TYR 29 2HB TYR 29 3.885 -9.223 -2.175 214 2HB TYR 29 1HB TYR 29 2.964 -8.215 -3.285 215 HD1 TYR 29 1HD TYR 29 2.881 -11.328 -2.729 216 HD2 TYR 29 2HD TYR 29 4.570 -8.891 -5.791 217 HE1 TYR 29 1HE TYR 29 2.743 -13.218 -4.299 218 HE2 TYR 29 2HE TYR 29 4.440 -10.782 -7.364 219 HH TYR 29 HH TYR 29 3.073 -12.880 -7.617 220 H ILE 30 H ILE 30 5.876 -8.441 -1.038 221 HA ILE 30 HA ILE 30 5.159 -6.101 0.261 222 HB ILE 30 HB ILE 30 6.015 -7.974 1.501 223 1HG1 ILE 30 2HG1 ILE 30 6.335 -5.629 2.399 224 2HG1 ILE 30 1HG1 ILE 30 7.361 -6.863 3.112 225 1HG2 ILE 30 1HG2 ILE 30 7.582 -8.820 -0.097 226 2HG2 ILE 30 2HG2 ILE 30 8.387 -8.593 1.455 227 3HG2 ILE 30 3HG2 ILE 30 8.640 -7.433 0.150 228 1HD1 ILE 30 1HD1 ILE 30 8.824 -5.840 0.977 229 2HD1 ILE 30 2HD1 ILE 30 9.080 -5.540 2.696 230 3HD1 ILE 30 3HD1 ILE 30 8.073 -4.444 1.749 231 H LYS 31 H LYS 31 7.753 -6.740 -1.940 232 HA LYS 31 HA LYS 31 9.088 -4.213 -1.517 233 1HB LYS 31 2HB LYS 31 9.913 -6.654 -2.422 234 2HB LYS 31 1HB LYS 31 9.721 -5.766 -3.928 235 1HG LYS 31 2HG LYS 31 11.823 -5.101 -3.548 236 2HG LYS 31 1HG LYS 31 11.082 -3.962 -2.422 237 1HD LYS 31 2HD LYS 31 11.862 -6.723 -1.547 238 2HD LYS 31 1HD LYS 31 13.045 -5.415 -1.593 239 1HE LYS 31 2HE LYS 31 10.998 -4.207 -0.292 240 2HE LYS 31 1HE LYS 31 10.795 -5.874 0.248 241 1HZ LYS 31 1HZ LYS 31 12.965 -3.999 0.782 242 2HZ LYS 31 2HZ LYS 31 13.390 -5.624 0.597 243 3HZ LYS 31 3HZ LYS 31 12.277 -5.172 1.788 244 H LEU 32 H LEU 32 7.266 -5.783 -4.150 245 HA LEU 32 HA LEU 32 7.322 -3.714 -5.966 246 1HB LEU 32 2HB LEU 32 6.045 -5.091 -7.195 247 2HB LEU 32 1HB LEU 32 6.187 -6.200 -5.856 248 HG LEU 32 HG LEU 32 3.915 -6.160 -6.413 249 1HD1 LEU 32 1HD1 LEU 32 3.378 -4.318 -4.325 250 2HD1 LEU 32 2HD1 LEU 32 4.885 -5.168 -3.976 251 3HD1 LEU 32 3HD1 LEU 32 3.401 -6.084 -4.270 252 1HD2 LEU 32 1HD2 LEU 32 2.759 -4.401 -7.218 253 2HD2 LEU 32 2HD2 LEU 32 4.361 -3.720 -7.504 254 3HD2 LEU 32 3HD2 LEU 32 3.462 -3.279 -6.054 255 H ILE 33 H ILE 33 5.771 -3.807 -2.949 256 HA ILE 33 HA ILE 33 3.737 -1.841 -3.491 257 HB ILE 33 HB ILE 33 4.772 -3.189 -1.010 258 1HG1 ILE 33 2HG1 ILE 33 2.175 -3.162 -2.533 259 2HG1 ILE 33 1HG1 ILE 33 3.245 -4.526 -2.227 260 1HG2 ILE 33 1HG2 ILE 33 3.642 -0.573 -1.074 261 2HG2 ILE 33 2HG2 ILE 33 4.128 -1.537 0.316 262 3HG2 ILE 33 3HG2 ILE 33 2.491 -1.669 -0.320 263 1HD1 ILE 33 1HD1 ILE 33 2.168 -5.035 -0.364 264 2HD1 ILE 33 2HD1 ILE 33 0.960 -3.835 -0.823 265 3HD1 ILE 33 3HD1 ILE 33 2.287 -3.382 0.243 266 H ASN 34 H ASN 34 6.681 -1.882 -1.474 267 HA ASN 34 HA ASN 34 6.734 0.781 -0.770 268 1HB ASN 34 2HB ASN 34 8.402 -1.389 -0.417 269 2HB ASN 34 1HB ASN 34 9.403 -0.273 -1.342 270 1HD2 ASN 34 1HD2 ASN 34 7.338 -0.491 1.512 271 2HD2 ASN 34 2HD2 ASN 34 8.197 0.684 2.443 272 H ASN 35 H ASN 35 7.408 -0.614 -3.864 273 HA ASN 35 HA ASN 35 9.019 1.490 -4.896 274 1HB ASN 35 2HB ASN 35 8.602 -0.961 -5.766 275 2HB ASN 35 1HB ASN 35 7.305 -0.194 -6.676 276 1HD2 ASN 35 1HD2 ASN 35 8.055 1.912 -7.777 277 2HD2 ASN 35 2HD2 ASN 35 9.549 1.802 -8.637 278 H ALA 36 H ALA 36 5.629 1.161 -4.386 279 HA ALA 36 HA ALA 36 4.629 2.834 -6.397 280 1HB ALA 36 1HB ALA 36 2.684 2.321 -5.467 281 2HB ALA 36 2HB ALA 36 3.131 3.112 -3.955 282 3HB ALA 36 3HB ALA 36 3.576 1.429 -4.236 283 H LYS 37 H LYS 37 3.713 4.972 -6.157 284 HA LYS 37 HA LYS 37 5.462 6.706 -4.560 285 1HB LYS 37 2HB LYS 37 3.882 7.388 -7.048 286 2HB LYS 37 1HB LYS 37 5.003 8.451 -6.202 287 1HG LYS 37 2HG LYS 37 6.759 7.595 -7.259 288 2HG LYS 37 1HG LYS 37 6.246 5.944 -6.947 289 1HD LYS 37 2HD LYS 37 4.843 7.565 -9.029 290 2HD LYS 37 1HD LYS 37 6.401 6.823 -9.400 291 1HE LYS 37 2HE LYS 37 5.568 4.721 -9.364 292 2HE LYS 37 1HE LYS 37 4.385 5.095 -8.111 293 1HZ LYS 37 1HZ LYS 37 4.184 5.450 -11.019 294 2HZ LYS 37 2HZ LYS 37 3.308 6.484 -10.007 295 3HZ LYS 37 3HZ LYS 37 3.053 4.813 -9.933 296 H THR 38 H THR 38 2.167 5.916 -5.361 297 HA THR 38 HA THR 38 1.137 8.023 -3.613 298 HB THR 38 HB THR 38 -1.003 7.619 -4.581 299 HG1 THR 38 1HG THR 38 -1.423 5.584 -4.875 300 1HG2 THR 38 1HG2 THR 38 -0.057 7.142 -7.155 301 2HG2 THR 38 2HG2 THR 38 1.241 8.006 -6.329 302 3HG2 THR 38 3HG2 THR 38 -0.379 8.703 -6.400 303 H VAL 39 H VAL 39 -1.310 6.399 -3.030 304 HA VAL 39 HA VAL 39 -0.160 4.318 -1.337 305 HB VAL 39 HB VAL 39 -0.552 6.601 -0.127 306 1HG1 VAL 39 1HG1 VAL 39 -2.693 6.808 0.912 307 2HG1 VAL 39 2HG1 VAL 39 -3.259 5.328 0.137 308 3HG1 VAL 39 3HG1 VAL 39 -2.923 6.760 -0.837 309 1HG2 VAL 39 1HG2 VAL 39 -1.259 5.151 1.902 310 2HG2 VAL 39 2HG2 VAL 39 0.289 4.847 1.108 311 3HG2 VAL 39 3HG2 VAL 39 -1.099 3.817 0.762 312 H GLU 40 H GLU 40 -3.155 5.780 -2.549 313 HA GLU 40 HA GLU 40 -5.004 3.920 -1.790 314 1HB GLU 40 2HB GLU 40 -5.349 6.035 -3.166 315 2HB GLU 40 1HB GLU 40 -4.961 5.058 -4.577 316 1HG GLU 40 2HG GLU 40 -6.966 4.083 -4.604 317 2HG GLU 40 1HG GLU 40 -6.996 3.874 -2.854 318 H GLY 41 H GLY 41 -2.816 3.691 -4.564 319 1HA GLY 41 2HA GLY 41 -3.847 1.121 -5.353 320 2HA GLY 41 1HA GLY 41 -2.433 1.928 -6.018 321 H VAL 42 H VAL 42 -1.361 2.281 -3.236 322 HA VAL 42 HA VAL 42 0.307 0.022 -3.171 323 HB VAL 42 HB VAL 42 -0.214 1.958 -0.925 324 1HG1 VAL 42 1HG1 VAL 42 2.291 1.313 -0.568 325 2HG1 VAL 42 2HG1 VAL 42 1.840 -0.126 -1.489 326 3HG1 VAL 42 3HG1 VAL 42 1.005 0.252 0.025 327 1HG2 VAL 42 1HG2 VAL 42 1.580 2.094 -3.326 328 2HG2 VAL 42 2HG2 VAL 42 1.876 3.052 -1.877 329 3HG2 VAL 42 3HG2 VAL 42 0.385 3.270 -2.794 330 H GLU 43 H GLU 43 -2.258 0.978 -0.884 331 HA GLU 43 HA GLU 43 -2.118 -1.364 0.671 332 1HB GLU 43 2HB GLU 43 -4.636 -0.666 1.142 333 2HB GLU 43 1HB GLU 43 -3.289 0.268 1.782 334 1HG GLU 43 2HG GLU 43 -3.543 1.950 0.180 335 2HG GLU 43 1HG GLU 43 -4.565 0.939 -0.844 336 H SER 44 H SER 44 -4.228 -0.503 -2.043 337 HA SER 44 HA SER 44 -5.605 -2.997 -2.052 338 1HB SER 44 2HB SER 44 -6.002 -0.540 -3.237 339 2HB SER 44 1HB SER 44 -5.542 -1.558 -4.603 340 HG SER 44 HG SER 44 -7.860 -1.500 -3.221 341 H LEU 45 H LEU 45 -2.603 -1.872 -3.306 342 HA LEU 45 HA LEU 45 -2.185 -3.565 -5.480 343 1HB LEU 45 2HB LEU 45 -0.554 -1.955 -3.687 344 2HB LEU 45 1HB LEU 45 0.286 -3.394 -4.215 345 1HD1 LEU 45 1HD1 LEU 45 1.185 -3.656 -6.043 346 2HD1 LEU 45 2HD1 LEU 45 1.986 -2.084 -6.125 347 3HD1 LEU 45 3HD1 LEU 45 0.997 -2.642 -7.475 348 1HD2 LEU 45 1HD2 LEU 45 -1.324 -2.849 -7.322 349 2HD2 LEU 45 2HD2 LEU 45 -1.109 -1.104 -7.456 350 3HD2 LEU 45 3HD2 LEU 45 -2.200 -1.767 -6.241 351 H LYS 46 H LYS 46 -1.150 -4.105 -2.103 352 HA LYS 46 HA LYS 46 -0.427 -6.815 -2.592 353 1HB LYS 46 2HB LYS 46 0.691 -6.248 -0.728 354 2HB LYS 46 1HB LYS 46 -0.439 -4.973 -0.308 355 1HG LYS 46 2HG LYS 46 -1.138 -7.852 0.160 356 2HG LYS 46 1HG LYS 46 -0.108 -6.970 1.293 357 1HD LYS 46 2HD LYS 46 -1.909 -5.214 1.409 358 2HD LYS 46 1HD LYS 46 -2.942 -6.321 0.509 359 1HE LYS 46 2HE LYS 46 -3.253 -7.686 2.270 360 2HE LYS 46 1HE LYS 46 -1.607 -7.466 2.863 361 1HZ LYS 46 1HZ LYS 46 -3.792 -6.425 4.019 362 2HZ LYS 46 2HZ LYS 46 -3.284 -5.122 3.069 363 3HZ LYS 46 3HZ LYS 46 -2.230 -5.802 4.203 364 H ASN 47 H ASN 47 -3.290 -5.245 -1.229 365 HA ASN 47 HA ASN 47 -4.644 -7.595 -0.477 366 1HB ASN 47 2HB ASN 47 -5.347 -5.338 0.250 367 2HB ASN 47 1HB ASN 47 -5.827 -4.955 -1.402 368 1HD2 ASN 47 1HD2 ASN 47 -7.827 -4.519 -0.032 369 2HD2 ASN 47 2HD2 ASN 47 -8.956 -5.821 0.095 370 H GLU 48 H GLU 48 -4.192 -6.040 -3.548 371 HA GLU 48 HA GLU 48 -6.251 -7.530 -4.905 372 1HB GLU 48 2HB GLU 48 -4.109 -5.613 -5.717 373 2HB GLU 48 1HB GLU 48 -4.768 -6.682 -6.946 374 1HG GLU 48 2HG GLU 48 -6.728 -5.251 -5.271 375 2HG GLU 48 1HG GLU 48 -5.777 -4.271 -6.386 376 H ILE 49 H ILE 49 -2.813 -7.795 -4.336 377 HA ILE 49 HA ILE 49 -2.325 -9.942 -6.136 378 HB ILE 49 HB ILE 49 -0.203 -10.184 -5.112 379 1HG1 ILE 49 2HG1 ILE 49 -0.748 -8.430 -2.784 380 2HG1 ILE 49 1HG1 ILE 49 -1.364 -10.067 -2.701 381 1HG2 ILE 49 1HG2 ILE 49 0.533 -8.232 -5.842 382 2HG2 ILE 49 2HG2 ILE 49 -0.177 -7.386 -4.466 383 3HG2 ILE 49 3HG2 ILE 49 -1.144 -7.691 -5.909 384 1HD1 ILE 49 1HD1 ILE 49 0.733 -10.975 -2.662 385 2HD1 ILE 49 2HD1 ILE 49 0.954 -9.479 -1.750 386 3HD1 ILE 49 3HD1 ILE 49 1.466 -9.571 -3.434 387 H LEU 50 H LEU 50 -3.579 -9.659 -2.940 388 HA LEU 50 HA LEU 50 -3.364 -12.457 -2.301 389 1HB LEU 50 2HB LEU 50 -4.714 -10.113 -0.964 390 2HB LEU 50 1HB LEU 50 -4.770 -11.743 -0.314 391 HG LEU 50 HG LEU 50 -2.072 -10.709 -0.911 392 1HD1 LEU 50 1HD1 LEU 50 -3.720 -9.580 1.342 393 2HD1 LEU 50 2HD1 LEU 50 -3.083 -8.692 -0.044 394 3HD1 LEU 50 3HD1 LEU 50 -1.978 -9.384 1.145 395 1HD2 LEU 50 1HD2 LEU 50 -3.423 -12.463 1.060 396 2HD2 LEU 50 2HD2 LEU 50 -1.948 -11.644 1.571 397 3HD2 LEU 50 3HD2 LEU 50 -1.924 -12.708 0.164 398 H LYS 51 H LYS 51 -5.772 -10.235 -3.548 399 HA LYS 51 HA LYS 51 -8.047 -11.857 -3.254 400 1HB LYS 51 2HB LYS 51 -8.026 -9.428 -3.909 401 2HB LYS 51 1HB LYS 51 -7.503 -9.923 -5.513 402 1HG LYS 51 2HG LYS 51 -9.915 -11.270 -4.513 403 2HG LYS 51 1HG LYS 51 -10.075 -9.536 -4.799 404 1HD LYS 51 2HD LYS 51 -8.912 -10.078 -7.066 405 2HD LYS 51 1HD LYS 51 -9.444 -11.727 -6.735 406 1HE LYS 51 2HE LYS 51 -11.757 -10.733 -6.364 407 2HE LYS 51 1HE LYS 51 -11.120 -9.262 -7.098 408 1HZ LYS 51 1HZ LYS 51 -10.657 -10.449 -9.105 409 2HZ LYS 51 2HZ LYS 51 -12.268 -10.745 -8.681 410 3HZ LYS 51 3HZ LYS 51 -11.089 -11.928 -8.405 411 H ALA 52 H ALA 52 -5.324 -12.071 -5.333 412 HA ALA 52 HA ALA 52 -6.445 -14.456 -6.570 413 1HB ALA 52 1HB ALA 52 -5.688 -13.772 -8.810 414 2HB ALA 52 2HB ALA 52 -5.253 -12.188 -8.163 415 3HB ALA 52 3HB ALA 52 -6.941 -12.703 -8.176 416 H LEU 53 H LEU 53 -4.825 -15.031 -4.766 417 HA LEU 53 HA LEU 53 -2.042 -14.751 -5.403 418 1HB LEU 53 2HB LEU 53 -3.626 -15.653 -3.176 419 2HB LEU 53 1HB LEU 53 -2.370 -16.826 -3.528 420 HG LEU 53 HG LEU 53 -1.896 -13.887 -3.018 421 1HD1 LEU 53 1HD1 LEU 53 -1.025 -14.556 -0.872 422 2HD1 LEU 53 2HD1 LEU 53 -1.354 -16.251 -1.229 423 3HD1 LEU 53 3HD1 LEU 53 -2.690 -15.117 -1.031 424 1HD2 LEU 53 1HD2 LEU 53 0.339 -15.730 -2.741 425 2HD2 LEU 53 2HD2 LEU 53 0.236 -14.194 -3.603 426 3HD2 LEU 53 3HD2 LEU 53 -0.306 -15.681 -4.382 427 HA PRO 54 HA PRO 54 -2.250 -18.251 -8.254 428 1HB PRO 54 2HB PRO 54 0.327 -18.058 -9.107 429 2HB PRO 54 1HB PRO 54 -0.972 -17.028 -9.720 430 1HG PRO 54 2HG PRO 54 1.089 -16.436 -7.631 431 2HG PRO 54 1HG PRO 54 0.507 -15.405 -8.953 432 1HD PRO 54 2HD PRO 54 -0.357 -15.118 -6.410 433 2HD PRO 54 1HD PRO 54 -1.405 -14.803 -7.808 434 H THR 55 H THR 55 -1.147 -20.310 -8.441 435 HA THR 55 HA THR 55 0.122 -21.097 -5.909 436 HB THR 55 HB THR 55 -0.518 -23.443 -6.689 437 HG1 THR 55 1HG THR 55 -2.215 -21.995 -8.433 438 1HG2 THR 55 1HG2 THR 55 -3.085 -22.049 -6.495 439 2HG2 THR 55 2HG2 THR 55 -1.937 -21.683 -5.207 440 3HG2 THR 55 3HG2 THR 55 -2.416 -23.352 -5.515 441 H GLU 56 H GLU 56 1.823 -22.724 -6.000 442 HA GLU 56 HA GLU 56 3.522 -22.339 -8.368 443 1HB GLU 56 2HB GLU 56 4.228 -23.088 -5.526 444 2HB GLU 56 1HB GLU 56 5.385 -23.039 -6.849 445 1HG GLU 56 2HG GLU 56 4.905 -20.650 -7.156 446 2HG GLU 56 1HG GLU 56 3.797 -20.714 -5.786 Start of MODEL 13 1 1H MET 1 1HT MET 1 0.984 18.231 9.395 2 2H MET 1 2HT MET 1 -0.494 17.358 9.386 3 3H MET 1 3HT MET 1 0.374 17.557 10.850 4 HA MET 1 HA MET 1 -1.448 19.013 10.858 5 1HB MET 1 2HB MET 1 1.180 19.692 11.269 6 2HB MET 1 1HB MET 1 0.638 20.969 10.191 7 1HG MET 1 2HG MET 1 -1.055 21.639 11.703 8 2HG MET 1 1HG MET 1 -0.812 20.211 12.707 9 1HE MET 1 1HE MET 1 1.231 23.366 11.287 10 2HE MET 1 2HE MET 1 2.197 21.900 11.108 11 3HE MET 1 3HE MET 1 2.692 23.151 12.254 12 H GLU 2 H GLU 2 0.696 20.309 8.320 13 HA GLU 2 HA GLU 2 -1.718 21.029 6.793 14 1HB GLU 2 2HB GLU 2 -0.153 22.706 5.681 15 2HB GLU 2 1HB GLU 2 -0.590 23.031 7.350 16 1HG GLU 2 2HG GLU 2 1.509 22.527 8.147 17 2HG GLU 2 1HG GLU 2 1.911 21.528 6.750 18 H ALA 3 H ALA 3 1.342 19.380 6.709 19 HA ALA 3 HA ALA 3 0.598 18.102 4.218 20 1HB ALA 3 1HB ALA 3 2.343 18.803 2.879 21 2HB ALA 3 2HB ALA 3 3.317 19.350 4.248 22 3HB ALA 3 3HB ALA 3 1.914 20.286 3.733 23 H VAL 4 H VAL 4 0.600 16.142 5.244 24 HA VAL 4 HA VAL 4 3.201 14.980 5.769 25 HB VAL 4 HB VAL 4 2.452 14.027 7.969 26 1HG1 VAL 4 1HG1 VAL 4 4.003 16.005 7.664 27 2HG1 VAL 4 2HG1 VAL 4 3.205 15.878 9.233 28 3HG1 VAL 4 3HG1 VAL 4 2.617 17.032 8.035 29 1HG2 VAL 4 1HG2 VAL 4 0.721 15.756 9.034 30 2HG2 VAL 4 2HG2 VAL 4 0.215 14.256 8.248 31 3HG2 VAL 4 3HG2 VAL 4 0.148 15.789 7.372 32 H ASP 5 H ASP 5 1.074 14.622 3.823 33 HA ASP 5 HA ASP 5 -0.540 12.411 4.329 34 1HB ASP 5 2HB ASP 5 -0.287 14.089 2.246 35 2HB ASP 5 1HB ASP 5 0.573 12.694 1.593 36 H ALA 6 H ALA 6 2.848 12.620 3.592 37 HA ALA 6 HA ALA 6 3.355 10.067 2.618 38 1HB ALA 6 1HB ALA 6 4.889 12.204 3.104 39 2HB ALA 6 2HB ALA 6 5.542 10.598 2.811 40 3HB ALA 6 3HB ALA 6 5.365 11.189 4.462 41 H ASN 7 H ASN 7 2.782 11.168 5.892 42 HA ASN 7 HA ASN 7 3.732 8.893 7.256 43 1HB ASN 7 2HB ASN 7 1.651 10.950 8.001 44 2HB ASN 7 1HB ASN 7 2.189 9.684 9.099 45 1HD2 ASN 7 1HD2 ASN 7 2.475 12.248 9.844 46 2HD2 ASN 7 2HD2 ASN 7 4.136 12.715 9.823 47 H SER 8 H SER 8 0.484 9.775 6.116 48 HA SER 8 HA SER 8 -0.731 7.361 6.989 49 1HB SER 8 2HB SER 8 -1.711 9.757 6.187 50 2HB SER 8 1HB SER 8 -1.970 8.810 4.724 51 HG SER 8 HG SER 8 -3.659 8.830 6.478 52 H LEU 9 H LEU 9 0.874 8.405 4.078 53 HA LEU 9 HA LEU 9 0.018 6.314 2.383 54 1HB LEU 9 2HB LEU 9 1.059 8.489 1.675 55 2HB LEU 9 1HB LEU 9 2.604 7.860 2.214 56 HG LEU 9 HG LEU 9 0.922 6.620 0.036 57 1HD1 LEU 9 1HD1 LEU 9 3.324 8.406 -0.133 58 2HD1 LEU 9 2HD1 LEU 9 1.687 8.778 -0.673 59 3HD1 LEU 9 3HD1 LEU 9 2.625 7.531 -1.489 60 1HD2 LEU 9 1HD2 LEU 9 3.434 5.868 1.385 61 2HD2 LEU 9 2HD2 LEU 9 3.417 5.728 -0.372 62 3HD2 LEU 9 3HD2 LEU 9 2.222 4.861 0.593 63 H ALA 10 H ALA 10 2.893 6.788 4.395 64 HA ALA 10 HA ALA 10 4.219 4.413 3.686 65 1HB ALA 10 1HB ALA 10 5.231 4.858 6.109 66 2HB ALA 10 2HB ALA 10 4.470 6.425 5.836 67 3HB ALA 10 3HB ALA 10 5.674 5.819 4.699 68 H GLN 11 H GLN 11 1.494 4.927 5.711 69 HA GLN 11 HA GLN 11 1.881 2.570 7.312 70 1HB GLN 11 2HB GLN 11 0.709 4.350 8.363 71 2HB GLN 11 1HB GLN 11 -0.400 4.510 7.005 72 1HG GLN 11 2HG GLN 11 -1.267 2.272 7.509 73 2HG GLN 11 1HG GLN 11 -0.239 2.212 8.935 74 1HE2 GLN 11 1HE2 GLN 11 -1.678 2.262 10.548 75 2HE2 GLN 11 2HE2 GLN 11 -2.852 3.508 10.798 76 H ALA 12 H ALA 12 -0.162 3.506 4.567 77 HA ALA 12 HA ALA 12 -1.718 1.225 4.353 78 1HB ALA 12 1HB ALA 12 -1.483 3.456 2.894 79 2HB ALA 12 2HB ALA 12 -2.315 2.012 2.312 80 3HB ALA 12 3HB ALA 12 -0.645 2.324 1.829 81 H LYS 13 H LYS 13 1.580 1.816 3.374 82 HA LYS 13 HA LYS 13 1.886 -0.825 2.203 83 1HB LYS 13 2HB LYS 13 4.394 0.136 2.200 84 2HB LYS 13 1HB LYS 13 3.216 0.521 0.959 85 1HG LYS 13 2HG LYS 13 2.814 2.634 1.797 86 2HG LYS 13 1HG LYS 13 3.503 2.239 3.378 87 1HD LYS 13 2HD LYS 13 5.056 2.427 0.793 88 2HD LYS 13 1HD LYS 13 4.974 3.697 2.015 89 1HE LYS 13 2HE LYS 13 5.702 1.200 3.234 90 2HE LYS 13 1HE LYS 13 6.777 1.546 1.880 91 1HZ LYS 13 1HZ LYS 13 7.430 2.460 4.133 92 2HZ LYS 13 2HZ LYS 13 6.169 3.571 3.949 93 3HZ LYS 13 3HZ LYS 13 7.448 3.554 2.843 94 H GLU 14 H GLU 14 3.389 1.045 4.846 95 HA GLU 14 HA GLU 14 4.943 -0.942 5.975 96 1HB GLU 14 2HB GLU 14 5.058 1.346 6.768 97 2HB GLU 14 1HB GLU 14 3.389 1.286 7.319 98 1HG GLU 14 2HG GLU 14 4.672 -0.824 8.623 99 2HG GLU 14 1HG GLU 14 5.808 0.523 8.680 100 H ALA 15 H ALA 15 1.520 -0.309 6.230 101 HA ALA 15 HA ALA 15 1.071 -2.430 8.156 102 1HB ALA 15 1HB ALA 15 -1.066 -1.021 6.584 103 2HB ALA 15 2HB ALA 15 -0.275 -0.265 7.968 104 3HB ALA 15 3HB ALA 15 -1.179 -1.765 8.180 105 H ALA 16 H ALA 16 0.902 -1.963 4.699 106 HA ALA 16 HA ALA 16 -0.574 -4.347 4.139 107 1HB ALA 16 1HB ALA 16 0.296 -3.934 1.780 108 2HB ALA 16 2HB ALA 16 1.027 -2.469 2.429 109 3HB ALA 16 3HB ALA 16 -0.722 -2.682 2.491 110 H ILE 17 H ILE 17 2.772 -3.599 4.690 111 HA ILE 17 HA ILE 17 3.805 -5.967 3.448 112 HB ILE 17 HB ILE 17 5.261 -4.037 3.696 113 1HG1 ILE 17 2HG1 ILE 17 6.261 -6.232 5.516 114 2HG1 ILE 17 1HG1 ILE 17 6.196 -6.377 3.763 115 1HG2 ILE 17 1HG2 ILE 17 4.585 -4.331 6.584 116 2HG2 ILE 17 2HG2 ILE 17 4.656 -2.881 5.583 117 3HG2 ILE 17 3HG2 ILE 17 6.147 -3.656 6.121 118 1HD1 ILE 17 1HD1 ILE 17 7.539 -3.957 4.472 119 2HD1 ILE 17 2HD1 ILE 17 8.140 -5.350 3.571 120 3HD1 ILE 17 3HD1 ILE 17 8.259 -5.319 5.331 121 H LYS 18 H LYS 18 2.706 -5.040 6.636 122 HA LYS 18 HA LYS 18 3.690 -7.263 8.069 123 1HB LYS 18 2HB LYS 18 2.083 -4.990 8.595 124 2HB LYS 18 1HB LYS 18 1.156 -6.394 9.113 125 1HG LYS 18 2HG LYS 18 3.350 -7.091 10.301 126 2HG LYS 18 1HG LYS 18 3.789 -5.393 10.108 127 1HD LYS 18 2HD LYS 18 2.217 -4.676 11.590 128 2HD LYS 18 1HD LYS 18 1.093 -5.978 11.191 129 1HE LYS 18 2HE LYS 18 1.882 -6.313 13.428 130 2HE LYS 18 1HE LYS 18 2.585 -7.556 12.398 131 1HZ LYS 18 1HZ LYS 18 4.412 -6.882 13.554 132 2HZ LYS 18 2HZ LYS 18 3.880 -5.285 13.719 133 3HZ LYS 18 3HZ LYS 18 4.514 -5.816 12.245 134 H GLU 19 H GLU 19 0.872 -6.765 6.058 135 HA GLU 19 HA GLU 19 -0.473 -9.166 6.801 136 1HB GLU 19 2HB GLU 19 -0.868 -6.993 4.900 137 2HB GLU 19 1HB GLU 19 -1.288 -8.552 4.203 138 1HG GLU 19 2HG GLU 19 -3.287 -8.023 5.115 139 2HG GLU 19 1HG GLU 19 -2.561 -8.821 6.509 140 H LEU 20 H LEU 20 1.623 -8.247 4.097 141 HA LEU 20 HA LEU 20 1.599 -10.751 2.816 142 1HB LEU 20 2HB LEU 20 2.887 -8.247 2.470 143 2HB LEU 20 1HB LEU 20 4.134 -9.480 2.467 144 HG LEU 20 HG LEU 20 2.178 -10.535 0.824 145 1HD1 LEU 20 1HD1 LEU 20 0.876 -8.776 0.286 146 2HD1 LEU 20 2HD1 LEU 20 2.195 -8.416 -0.828 147 3HD1 LEU 20 3HD1 LEU 20 2.104 -7.593 0.730 148 1HD2 LEU 20 1HD2 LEU 20 4.424 -8.924 -0.288 149 2HD2 LEU 20 2HD2 LEU 20 3.808 -10.495 -0.799 150 3HD2 LEU 20 3HD2 LEU 20 4.758 -10.359 0.679 151 H LYS 21 H LYS 21 3.171 -9.596 5.650 152 HA LYS 21 HA LYS 21 5.182 -11.668 5.710 153 1HB LYS 21 2HB LYS 21 5.492 -9.357 6.682 154 2HB LYS 21 1HB LYS 21 4.364 -9.816 7.950 155 1HG LYS 21 2HG LYS 21 6.334 -11.843 7.778 156 2HG LYS 21 1HG LYS 21 7.160 -10.284 7.796 157 1HD LYS 21 2HD LYS 21 6.961 -10.743 10.052 158 2HD LYS 21 1HD LYS 21 5.532 -9.750 9.758 159 1HE LYS 21 2HE LYS 21 4.985 -12.542 9.260 160 2HE LYS 21 1HE LYS 21 5.616 -12.300 10.887 161 1HZ LYS 21 1HZ LYS 21 3.866 -10.345 10.826 162 2HZ LYS 21 2HZ LYS 21 3.430 -11.916 11.272 163 3HZ LYS 21 3HZ LYS 21 3.115 -11.366 9.704 164 H GLN 22 H GLN 22 2.090 -10.955 7.301 165 HA GLN 22 HA GLN 22 2.245 -13.340 8.929 166 1HB GLN 22 2HB GLN 22 -0.019 -12.729 9.672 167 2HB GLN 22 1HB GLN 22 1.102 -11.383 9.812 168 1HG GLN 22 2HG GLN 22 -0.072 -10.117 8.413 169 2HG GLN 22 1HG GLN 22 -0.297 -11.435 7.264 170 1HE2 GLN 22 1HE2 GLN 22 -1.807 -13.212 8.255 171 2HE2 GLN 22 2HE2 GLN 22 -3.293 -12.606 8.896 172 H TYR 23 H TYR 23 0.949 -12.433 5.844 173 HA TYR 23 HA TYR 23 -0.827 -14.674 5.588 174 1HB TYR 23 2HB TYR 23 0.139 -12.488 3.795 175 2HB TYR 23 1HB TYR 23 -0.548 -13.933 3.054 176 HD1 TYR 23 1HD TYR 23 -2.818 -14.700 4.393 177 HD2 TYR 23 2HD TYR 23 -1.320 -10.740 4.006 178 HE1 TYR 23 1HE TYR 23 -5.081 -13.817 4.749 179 HE2 TYR 23 2HE TYR 23 -3.577 -9.844 4.363 180 HH TYR 23 HH TYR 23 -6.162 -11.130 3.931 181 H GLY 24 H GLY 24 2.439 -13.867 4.528 182 1HA GLY 24 2HA GLY 24 4.121 -15.577 4.383 183 2HA GLY 24 1HA GLY 24 2.861 -16.721 3.945 184 H ILE 25 H ILE 25 2.111 -14.025 2.243 185 HA ILE 25 HA ILE 25 2.660 -15.071 -0.253 186 HB ILE 25 HB ILE 25 2.868 -12.126 -0.161 187 1HG1 ILE 25 2HG1 ILE 25 0.403 -13.562 0.853 188 2HG1 ILE 25 1HG1 ILE 25 1.368 -12.371 1.719 189 1HG2 ILE 25 1HG2 ILE 25 0.638 -13.164 -1.617 190 2HG2 ILE 25 2HG2 ILE 25 2.070 -14.140 -1.957 191 3HG2 ILE 25 3HG2 ILE 25 2.107 -12.397 -2.223 192 1HD1 ILE 25 1HD1 ILE 25 -0.576 -11.972 -0.502 193 2HD1 ILE 25 2HD1 ILE 25 0.718 -10.804 -0.248 194 3HD1 ILE 25 3HD1 ILE 25 -0.441 -11.130 1.041 195 H GLY 26 H GLY 26 4.114 -13.856 -1.945 196 1HA GLY 26 2HA GLY 26 6.822 -14.283 -1.072 197 2HA GLY 26 1HA GLY 26 6.302 -13.841 -2.695 198 H ASP 27 H ASP 27 8.541 -12.818 -1.153 199 HA ASP 27 HA ASP 27 8.048 -10.278 -0.066 200 1HB ASP 27 2HB ASP 27 10.504 -9.875 -0.673 201 2HB ASP 27 1HB ASP 27 10.163 -11.245 0.380 202 H TYR 28 H TYR 28 8.230 -11.364 -3.353 203 HA TYR 28 HA TYR 28 8.912 -9.165 -4.832 204 1HB TYR 28 2HB TYR 28 7.735 -11.551 -5.421 205 2HB TYR 28 1HB TYR 28 6.387 -10.452 -5.691 206 HD1 TYR 28 1HD TYR 28 8.062 -12.176 -7.724 207 HD2 TYR 28 2HD TYR 28 8.104 -8.082 -6.579 208 HE1 TYR 28 1HE TYR 28 8.966 -11.571 -9.930 209 HE2 TYR 28 2HE TYR 28 9.003 -7.466 -8.766 210 HH TYR 28 HH TYR 28 10.201 -8.441 -10.614 211 H TYR 29 H TYR 29 5.795 -9.866 -3.399 212 HA TYR 29 HA TYR 29 4.642 -7.395 -4.248 213 1HB TYR 29 2HB TYR 29 3.500 -9.460 -2.369 214 2HB TYR 29 1HB TYR 29 2.614 -8.195 -3.219 215 HD1 TYR 29 1HD TYR 29 3.764 -11.538 -3.407 216 HD2 TYR 29 2HD TYR 29 2.886 -8.134 -5.813 217 HE1 TYR 29 1HE TYR 29 3.630 -12.983 -5.388 218 HE2 TYR 29 2HE TYR 29 2.711 -9.583 -7.795 219 HH TYR 29 HH TYR 29 3.453 -11.730 -8.577 220 H ILE 30 H ILE 30 6.367 -8.325 -1.385 221 HA ILE 30 HA ILE 30 5.229 -6.251 0.245 222 HB ILE 30 HB ILE 30 6.699 -6.830 1.892 223 1HG1 ILE 30 2HG1 ILE 30 8.980 -7.965 1.293 224 2HG1 ILE 30 1HG1 ILE 30 8.701 -7.231 -0.283 225 1HG2 ILE 30 1HG2 ILE 30 5.653 -8.854 1.649 226 2HG2 ILE 30 2HG2 ILE 30 7.354 -9.306 1.632 227 3HG2 ILE 30 3HG2 ILE 30 6.453 -9.208 0.122 228 1HD1 ILE 30 1HD1 ILE 30 8.192 -5.165 1.424 229 2HD1 ILE 30 2HD1 ILE 30 9.715 -5.447 0.574 230 3HD1 ILE 30 3HD1 ILE 30 9.511 -6.017 2.232 231 H LYS 31 H LYS 31 7.764 -6.617 -2.075 232 HA LYS 31 HA LYS 31 8.923 -4.008 -1.660 233 1HB LYS 31 2HB LYS 31 9.445 -6.352 -3.412 234 2HB LYS 31 1HB LYS 31 10.023 -4.784 -3.956 235 1HG LYS 31 2HG LYS 31 11.849 -5.228 -2.760 236 2HG LYS 31 1HG LYS 31 10.862 -4.845 -1.348 237 1HD LYS 31 2HD LYS 31 10.165 -7.394 -1.626 238 2HD LYS 31 1HD LYS 31 11.752 -7.478 -2.395 239 1HE LYS 31 2HE LYS 31 11.625 -6.021 0.167 240 2HE LYS 31 1HE LYS 31 11.351 -7.759 0.254 241 1HZ LYS 31 1HZ LYS 31 13.456 -8.211 -0.563 242 2HZ LYS 31 2HZ LYS 31 13.734 -6.888 0.452 243 3HZ LYS 31 3HZ LYS 31 13.660 -6.667 -1.223 244 H LEU 32 H LEU 32 6.995 -5.631 -4.194 245 HA LEU 32 HA LEU 32 6.859 -3.565 -6.004 246 1HB LEU 32 2HB LEU 32 5.412 -4.885 -7.119 247 2HB LEU 32 1HB LEU 32 5.782 -6.045 -5.864 248 HG LEU 32 HG LEU 32 3.459 -6.082 -6.072 249 1HD1 LEU 32 1HD1 LEU 32 4.726 -5.128 -3.773 250 2HD1 LEU 32 2HD1 LEU 32 3.206 -6.032 -3.886 251 3HD1 LEU 32 3HD1 LEU 32 3.189 -4.266 -3.895 252 1HD2 LEU 32 1HD2 LEU 32 2.367 -4.396 -7.025 253 2HD2 LEU 32 2HD2 LEU 32 3.776 -3.351 -6.855 254 3HD2 LEU 32 3HD2 LEU 32 2.587 -3.446 -5.556 255 H ILE 33 H ILE 33 5.558 -3.668 -2.865 256 HA ILE 33 HA ILE 33 3.518 -1.666 -3.270 257 HB ILE 33 HB ILE 33 4.633 -3.094 -0.871 258 1HG1 ILE 33 2HG1 ILE 33 2.043 -3.030 -2.381 259 2HG1 ILE 33 1HG1 ILE 33 3.039 -4.410 -1.939 260 1HG2 ILE 33 1HG2 ILE 33 4.142 -1.408 0.483 261 2HG2 ILE 33 2HG2 ILE 33 2.452 -1.568 0.014 262 3HG2 ILE 33 3HG2 ILE 33 3.502 -0.454 -0.852 263 1HD1 ILE 33 1HD1 ILE 33 0.756 -3.379 -0.634 264 2HD1 ILE 33 2HD1 ILE 33 2.133 -3.202 0.455 265 3HD1 ILE 33 3HD1 ILE 33 1.732 -4.784 -0.208 266 H ASN 34 H ASN 34 6.557 -1.813 -1.402 267 HA ASN 34 HA ASN 34 6.716 0.831 -0.641 268 1HB ASN 34 2HB ASN 34 8.437 -1.432 -0.653 269 2HB ASN 34 1HB ASN 34 9.358 -0.062 -1.268 270 1HD2 ASN 34 1HD2 ASN 34 9.508 1.830 0.049 271 2HD2 ASN 34 2HD2 ASN 34 9.371 1.705 1.766 272 H ASN 35 H ASN 35 7.201 -0.504 -3.797 273 HA ASN 35 HA ASN 35 8.755 1.662 -4.834 274 1HB ASN 35 2HB ASN 35 7.587 -0.826 -5.857 275 2HB ASN 35 1HB ASN 35 7.621 0.483 -7.034 276 1HD2 ASN 35 1HD2 ASN 35 9.218 -0.191 -8.336 277 2HD2 ASN 35 2HD2 ASN 35 10.850 -0.452 -7.833 278 H ALA 36 H ALA 36 5.382 1.170 -4.289 279 HA ALA 36 HA ALA 36 4.268 2.764 -6.293 280 1HB ALA 36 1HB ALA 36 2.586 3.201 -4.203 281 2HB ALA 36 2HB ALA 36 3.394 1.711 -3.711 282 3HB ALA 36 3HB ALA 36 2.547 1.786 -5.255 283 H LYS 37 H LYS 37 3.473 4.899 -6.264 284 HA LYS 37 HA LYS 37 5.211 6.730 -4.778 285 1HB LYS 37 2HB LYS 37 3.640 6.927 -7.326 286 2HB LYS 37 1HB LYS 37 4.117 8.387 -6.470 287 1HG LYS 37 2HG LYS 37 5.737 7.923 -8.165 288 2HG LYS 37 1HG LYS 37 6.474 7.631 -6.588 289 1HD LYS 37 2HD LYS 37 7.057 5.869 -8.176 290 2HD LYS 37 1HD LYS 37 6.087 5.233 -6.847 291 1HE LYS 37 2HE LYS 37 4.354 4.713 -8.191 292 2HE LYS 37 1HE LYS 37 4.560 6.154 -9.185 293 1HZ LYS 37 1HZ LYS 37 5.862 5.069 -10.636 294 2HZ LYS 37 2HZ LYS 37 5.128 3.681 -10.007 295 3HZ LYS 37 3HZ LYS 37 6.649 4.162 -9.443 296 H THR 38 H THR 38 1.829 6.009 -5.421 297 HA THR 38 HA THR 38 0.970 8.090 -3.549 298 HB THR 38 HB THR 38 -1.031 6.340 -4.866 299 HG1 THR 38 1HG THR 38 0.681 8.075 -6.295 300 1HG2 THR 38 1HG2 THR 38 -2.332 8.229 -5.000 301 2HG2 THR 38 2HG2 THR 38 -0.947 9.319 -4.995 302 3HG2 THR 38 3HG2 THR 38 -1.436 8.501 -3.511 303 H VAL 39 H VAL 39 -1.511 6.544 -2.896 304 HA VAL 39 HA VAL 39 -0.339 4.411 -1.275 305 HB VAL 39 HB VAL 39 -0.799 6.684 -0.036 306 1HG1 VAL 39 1HG1 VAL 39 -3.432 5.269 0.255 307 2HG1 VAL 39 2HG1 VAL 39 -3.189 6.735 -0.697 308 3HG1 VAL 39 3HG1 VAL 39 -2.926 6.760 1.049 309 1HG2 VAL 39 1HG2 VAL 39 -1.403 5.157 1.979 310 2HG2 VAL 39 2HG2 VAL 39 0.152 4.965 1.162 311 3HG2 VAL 39 3HG2 VAL 39 -1.173 3.860 0.809 312 H GLU 40 H GLU 40 -3.353 5.842 -2.481 313 HA GLU 40 HA GLU 40 -5.147 3.890 -1.783 314 1HB GLU 40 2HB GLU 40 -4.960 5.874 -3.940 315 2HB GLU 40 1HB GLU 40 -5.978 4.494 -4.326 316 1HG GLU 40 2HG GLU 40 -6.829 5.104 -1.819 317 2HG GLU 40 1HG GLU 40 -6.414 6.697 -2.452 318 H GLY 41 H GLY 41 -2.740 3.798 -4.324 319 1HA GLY 41 2HA GLY 41 -3.711 1.270 -5.361 320 2HA GLY 41 1HA GLY 41 -2.275 2.137 -5.892 321 H VAL 42 H VAL 42 -1.105 2.448 -3.314 322 HA VAL 42 HA VAL 42 0.540 0.269 -3.115 323 HB VAL 42 HB VAL 42 -0.330 2.028 -0.823 324 1HG1 VAL 42 1HG1 VAL 42 0.814 0.477 0.338 325 2HG1 VAL 42 2HG1 VAL 42 2.225 1.321 -0.313 326 3HG1 VAL 42 3HG1 VAL 42 1.629 -0.141 -1.103 327 1HG2 VAL 42 1HG2 VAL 42 1.306 3.540 -1.413 328 2HG2 VAL 42 2HG2 VAL 42 0.730 3.029 -2.999 329 3HG2 VAL 42 3HG2 VAL 42 2.218 2.354 -2.337 330 H GLU 43 H GLU 43 -2.360 0.866 -1.139 331 HA GLU 43 HA GLU 43 -2.203 -1.601 0.258 332 1HB GLU 43 2HB GLU 43 -4.733 -1.031 0.669 333 2HB GLU 43 1HB GLU 43 -3.470 -0.058 1.409 334 1HG GLU 43 2HG GLU 43 -3.778 1.701 -0.084 335 2HG GLU 43 1HG GLU 43 -4.667 0.693 -1.228 336 H SER 44 H SER 44 -4.232 -0.538 -2.459 337 HA SER 44 HA SER 44 -5.609 -2.965 -2.783 338 1HB SER 44 2HB SER 44 -6.562 -1.994 -4.650 339 2HB SER 44 1HB SER 44 -6.004 -0.556 -3.794 340 HG SER 44 HG SER 44 -5.447 -1.070 -6.206 341 H LEU 45 H LEU 45 -2.429 -1.979 -3.661 342 HA LEU 45 HA LEU 45 -1.943 -3.696 -5.835 343 1HB LEU 45 2HB LEU 45 -0.169 -2.418 -3.783 344 2HB LEU 45 1HB LEU 45 0.487 -3.523 -4.972 345 1HD1 LEU 45 1HD1 LEU 45 1.042 -2.845 -7.072 346 2HD1 LEU 45 2HD1 LEU 45 1.939 -1.704 -6.067 347 3HD1 LEU 45 3HD1 LEU 45 1.034 -1.125 -7.465 348 1HD2 LEU 45 1HD2 LEU 45 -2.307 -1.586 -6.047 349 2HD2 LEU 45 2HD2 LEU 45 -1.432 -2.289 -7.406 350 3HD2 LEU 45 3HD2 LEU 45 -1.405 -0.546 -7.148 351 H LYS 46 H LYS 46 -0.995 -4.185 -2.411 352 HA LYS 46 HA LYS 46 -0.318 -6.920 -2.856 353 1HB LYS 46 2HB LYS 46 0.812 -6.352 -1.003 354 2HB LYS 46 1HB LYS 46 -0.288 -5.045 -0.605 355 1HG LYS 46 2HG LYS 46 -1.048 -7.897 -0.077 356 2HG LYS 46 1HG LYS 46 -0.004 -7.009 1.037 357 1HD LYS 46 2HD LYS 46 -1.793 -5.202 1.047 358 2HD LYS 46 1HD LYS 46 -2.838 -6.374 0.251 359 1HE LYS 46 2HE LYS 46 -3.085 -7.631 2.106 360 2HE LYS 46 1HE LYS 46 -1.448 -7.307 2.676 361 1HZ LYS 46 1HZ LYS 46 -3.040 -6.282 4.135 362 2HZ LYS 46 2HZ LYS 46 -3.771 -5.465 2.849 363 3HZ LYS 46 3HZ LYS 46 -2.194 -5.070 3.314 364 H ASN 47 H ASN 47 -3.143 -5.290 -1.447 365 HA ASN 47 HA ASN 47 -4.540 -7.582 -0.663 366 1HB ASN 47 2HB ASN 47 -5.103 -4.784 -0.927 367 2HB ASN 47 1HB ASN 47 -6.436 -5.685 -1.644 368 1HD2 ASN 47 1HD2 ASN 47 -6.002 -4.104 0.919 369 2HD2 ASN 47 2HD2 ASN 47 -6.624 -5.142 2.151 370 H GLU 48 H GLU 48 -4.017 -6.193 -3.802 371 HA GLU 48 HA GLU 48 -6.079 -7.714 -5.116 372 1HB GLU 48 2HB GLU 48 -3.861 -5.914 -6.008 373 2HB GLU 48 1HB GLU 48 -4.581 -7.009 -7.180 374 1HG GLU 48 2HG GLU 48 -6.576 -5.562 -5.649 375 2HG GLU 48 1HG GLU 48 -5.479 -4.491 -6.519 376 H ILE 49 H ILE 49 -2.637 -7.998 -4.514 377 HA ILE 49 HA ILE 49 -2.152 -10.237 -6.176 378 HB ILE 49 HB ILE 49 -0.073 -10.489 -5.057 379 1HG1 ILE 49 2HG1 ILE 49 -0.457 -8.582 -2.869 380 2HG1 ILE 49 1HG1 ILE 49 -1.419 -10.038 -2.699 381 1HG2 ILE 49 1HG2 ILE 49 -1.005 -7.891 -5.817 382 2HG2 ILE 49 2HG2 ILE 49 0.572 -8.635 -6.069 383 3HG2 ILE 49 3HG2 ILE 49 0.240 -7.757 -4.575 384 1HD1 ILE 49 1HD1 ILE 49 1.119 -9.731 -1.858 385 2HD1 ILE 49 2HD1 ILE 49 1.362 -10.496 -3.428 386 3HD1 ILE 49 3HD1 ILE 49 0.353 -11.277 -2.214 387 H LEU 50 H LEU 50 -3.526 -9.811 -3.049 388 HA LEU 50 HA LEU 50 -3.379 -12.571 -2.261 389 1HB LEU 50 2HB LEU 50 -4.778 -10.145 -1.146 390 2HB LEU 50 1HB LEU 50 -4.916 -11.734 -0.415 391 HG LEU 50 HG LEU 50 -2.158 -10.820 -0.886 392 1HD1 LEU 50 1HD1 LEU 50 -3.997 -9.390 1.011 393 2HD1 LEU 50 2HD1 LEU 50 -2.969 -8.702 -0.248 394 3HD1 LEU 50 3HD1 LEU 50 -2.243 -9.408 1.197 395 1HD2 LEU 50 1HD2 LEU 50 -2.296 -11.550 1.689 396 2HD2 LEU 50 2HD2 LEU 50 -2.107 -12.700 0.364 397 3HD2 LEU 50 3HD2 LEU 50 -3.702 -12.411 1.063 398 H LYS 51 H LYS 51 -5.721 -10.421 -3.752 399 HA LYS 51 HA LYS 51 -7.998 -12.045 -3.514 400 1HB LYS 51 2HB LYS 51 -7.257 -9.651 -4.903 401 2HB LYS 51 1HB LYS 51 -8.088 -10.716 -6.028 402 1HG LYS 51 2HG LYS 51 -9.180 -9.969 -3.327 403 2HG LYS 51 1HG LYS 51 -9.556 -9.101 -4.817 404 1HD LYS 51 2HD LYS 51 -10.064 -11.664 -5.558 405 2HD LYS 51 1HD LYS 51 -10.511 -11.709 -3.852 406 1HE LYS 51 2HE LYS 51 -11.745 -9.460 -4.484 407 2HE LYS 51 1HE LYS 51 -11.704 -10.172 -6.092 408 1HZ LYS 51 1HZ LYS 51 -12.907 -11.369 -3.660 409 2HZ LYS 51 2HZ LYS 51 -12.774 -12.164 -5.147 410 3HZ LYS 51 3HZ LYS 51 -13.730 -10.784 -5.008 411 H ALA 52 H ALA 52 -5.158 -12.338 -5.416 412 HA ALA 52 HA ALA 52 -6.154 -14.816 -6.567 413 1HB ALA 52 1HB ALA 52 -5.334 -14.242 -8.810 414 2HB ALA 52 2HB ALA 52 -4.957 -12.613 -8.245 415 3HB ALA 52 3HB ALA 52 -6.632 -13.166 -8.291 416 H LEU 53 H LEU 53 -4.546 -15.011 -4.572 417 HA LEU 53 HA LEU 53 -1.859 -14.619 -4.662 418 1HB LEU 53 2HB LEU 53 -3.629 -16.586 -3.410 419 2HB LEU 53 1HB LEU 53 -1.988 -17.163 -3.632 420 HG LEU 53 HG LEU 53 -2.377 -14.478 -2.396 421 1HD1 LEU 53 1HD1 LEU 53 -2.614 -17.029 -0.816 422 2HD1 LEU 53 2HD1 LEU 53 -3.996 -16.042 -1.293 423 3HD1 LEU 53 3HD1 LEU 53 -2.760 -15.373 -0.227 424 1HD2 LEU 53 1HD2 LEU 53 -0.333 -16.613 -2.501 425 2HD2 LEU 53 2HD2 LEU 53 -0.460 -15.706 -0.993 426 3HD2 LEU 53 3HD2 LEU 53 -0.148 -14.860 -2.509 427 HA PRO 54 HA PRO 54 -0.938 -17.131 -8.324 428 1HB PRO 54 2HB PRO 54 1.142 -15.705 -9.195 429 2HB PRO 54 1HB PRO 54 -0.511 -15.103 -9.370 430 1HG PRO 54 2HG PRO 54 1.579 -14.349 -7.373 431 2HG PRO 54 1HG PRO 54 0.410 -13.318 -8.216 432 1HD PRO 54 2HD PRO 54 0.123 -14.280 -5.626 433 2HD PRO 54 1HD PRO 54 -1.199 -13.688 -6.649 434 H THR 55 H THR 55 1.553 -17.652 -9.141 435 HA THR 55 HA THR 55 2.931 -18.730 -6.768 436 HB THR 55 HB THR 55 3.691 -20.459 -8.702 437 HG1 THR 55 1HG THR 55 2.080 -20.839 -10.103 438 1HG2 THR 55 1HG2 THR 55 1.050 -20.936 -7.400 439 2HG2 THR 55 2HG2 THR 55 2.529 -20.873 -6.442 440 3HG2 THR 55 3HG2 THR 55 2.360 -22.069 -7.726 441 H GLU 56 H GLU 56 3.353 -16.223 -8.314 442 HA GLU 56 HA GLU 56 5.058 -14.973 -9.149 443 1HB GLU 56 2HB GLU 56 6.060 -16.375 -7.035 444 2HB GLU 56 1HB GLU 56 7.183 -16.831 -8.308 445 1HG GLU 56 2HG GLU 56 8.054 -14.746 -8.482 446 2HG GLU 56 1HG GLU 56 6.542 -13.956 -8.039 Start of MODEL 14 1 1H MET 1 1HT MET 1 -4.993 8.216 13.860 2 2H MET 1 2HT MET 1 -4.292 6.716 14.311 3 3H MET 1 3HT MET 1 -4.693 7.023 12.671 4 HA MET 1 HA MET 1 -2.767 8.645 14.172 5 1HB MET 1 2HB MET 1 -2.525 5.956 12.963 6 2HB MET 1 1HB MET 1 -1.254 7.091 12.546 7 1HG MET 1 2HG MET 1 -1.772 7.189 15.363 8 2HG MET 1 1HG MET 1 -1.461 5.530 14.848 9 1HE MET 1 1HE MET 1 2.160 5.271 14.399 10 2HE MET 1 2HE MET 1 0.572 4.595 14.045 11 3HE MET 1 3HE MET 1 1.043 4.925 15.712 12 H GLU 2 H GLU 2 -1.850 10.209 12.943 13 HA GLU 2 HA GLU 2 -2.024 10.201 10.068 14 1HB GLU 2 2HB GLU 2 -3.881 11.815 11.739 15 2HB GLU 2 1HB GLU 2 -3.157 12.622 10.359 16 1HG GLU 2 2HG GLU 2 -4.081 10.059 9.521 17 2HG GLU 2 1HG GLU 2 -5.373 10.888 10.402 18 H ALA 3 H ALA 3 -1.357 12.597 9.317 19 HA ALA 3 HA ALA 3 0.432 13.980 11.064 20 1HB ALA 3 1HB ALA 3 1.634 12.249 8.910 21 2HB ALA 3 2HB ALA 3 1.845 12.065 10.652 22 3HB ALA 3 3HB ALA 3 2.505 13.477 9.826 23 H VAL 4 H VAL 4 0.691 13.350 7.576 24 HA VAL 4 HA VAL 4 -0.530 15.889 6.939 25 HB VAL 4 HB VAL 4 2.338 15.425 6.115 26 1HG1 VAL 4 1HG1 VAL 4 0.970 18.059 5.992 27 2HG1 VAL 4 2HG1 VAL 4 0.579 16.858 4.766 28 3HG1 VAL 4 3HG1 VAL 4 2.244 17.398 4.968 29 1HG2 VAL 4 1HG2 VAL 4 2.320 15.837 8.480 30 2HG2 VAL 4 2HG2 VAL 4 1.207 17.189 8.279 31 3HG2 VAL 4 3HG2 VAL 4 2.857 17.304 7.658 32 H ASP 5 H ASP 5 1.170 13.000 5.804 33 HA ASP 5 HA ASP 5 -0.709 12.210 3.973 34 1HB ASP 5 2HB ASP 5 0.569 12.879 1.813 35 2HB ASP 5 1HB ASP 5 -0.500 14.053 2.566 36 H ALA 6 H ALA 6 2.833 12.662 3.921 37 HA ALA 6 HA ALA 6 3.461 10.200 2.765 38 1HB ALA 6 1HB ALA 6 5.646 10.696 4.301 39 2HB ALA 6 2HB ALA 6 4.918 12.303 4.200 40 3HB ALA 6 3HB ALA 6 5.336 11.426 2.725 41 H ASN 7 H ASN 7 2.909 11.078 6.135 42 HA ASN 7 HA ASN 7 3.846 8.684 7.297 43 1HB ASN 7 2HB ASN 7 3.078 11.002 8.344 44 2HB ASN 7 1HB ASN 7 1.555 10.138 8.539 45 1HD2 ASN 7 1HD2 ASN 7 1.521 8.251 9.829 46 2HD2 ASN 7 2HD2 ASN 7 2.712 7.990 11.052 47 H SER 8 H SER 8 0.592 9.688 6.284 48 HA SER 8 HA SER 8 -0.657 7.246 7.020 49 1HB SER 8 2HB SER 8 -1.714 9.577 6.523 50 2HB SER 8 1HB SER 8 -1.731 9.021 4.850 51 HG SER 8 HG SER 8 -3.258 7.633 5.321 52 H LEU 9 H LEU 9 0.966 8.389 4.153 53 HA LEU 9 HA LEU 9 0.068 6.375 2.370 54 1HB LEU 9 2HB LEU 9 1.136 8.575 1.763 55 2HB LEU 9 1HB LEU 9 2.671 7.889 2.260 56 HG LEU 9 HG LEU 9 0.965 6.750 0.055 57 1HD1 LEU 9 1HD1 LEU 9 3.243 8.685 -0.014 58 2HD1 LEU 9 2HD1 LEU 9 1.633 8.875 -0.703 59 3HD1 LEU 9 3HD1 LEU 9 2.768 7.720 -1.411 60 1HD2 LEU 9 1HD2 LEU 9 3.484 5.931 -0.421 61 2HD2 LEU 9 2HD2 LEU 9 2.301 4.992 0.489 62 3HD2 LEU 9 3HD2 LEU 9 3.493 5.976 1.342 63 H ALA 10 H ALA 10 2.961 6.728 4.384 64 HA ALA 10 HA ALA 10 4.235 4.352 3.573 65 1HB ALA 10 1HB ALA 10 5.460 4.658 5.814 66 2HB ALA 10 2HB ALA 10 4.535 6.151 5.940 67 3HB ALA 10 3HB ALA 10 5.630 5.901 4.580 68 H GLN 11 H GLN 11 1.563 4.876 5.654 69 HA GLN 11 HA GLN 11 1.913 2.492 7.217 70 1HB GLN 11 2HB GLN 11 0.774 4.298 8.276 71 2HB GLN 11 1HB GLN 11 -0.346 4.463 6.928 72 1HG GLN 11 2HG GLN 11 -1.231 2.239 7.444 73 2HG GLN 11 1HG GLN 11 -0.185 2.164 8.856 74 1HE2 GLN 11 1HE2 GLN 11 -3.234 2.799 7.868 75 2HE2 GLN 11 2HE2 GLN 11 -3.757 3.834 9.149 76 H ALA 12 H ALA 12 -0.047 3.491 4.447 77 HA ALA 12 HA ALA 12 -1.697 1.284 4.206 78 1HB ALA 12 1HB ALA 12 -0.505 2.325 1.707 79 2HB ALA 12 2HB ALA 12 -1.337 3.488 2.744 80 3HB ALA 12 3HB ALA 12 -2.199 2.073 2.138 81 H LYS 13 H LYS 13 1.646 1.726 3.250 82 HA LYS 13 HA LYS 13 1.837 -0.963 2.163 83 1HB LYS 13 2HB LYS 13 4.379 -0.151 2.118 84 2HB LYS 13 1HB LYS 13 3.219 0.300 0.884 85 1HG LYS 13 2HG LYS 13 2.994 2.449 1.673 86 2HG LYS 13 1HG LYS 13 3.611 2.027 3.277 87 1HD LYS 13 2HD LYS 13 5.801 2.115 2.601 88 2HD LYS 13 1HD LYS 13 5.414 1.661 0.939 89 1HE LYS 13 2HE LYS 13 5.329 3.788 0.301 90 2HE LYS 13 1HE LYS 13 4.224 4.196 1.611 91 1HZ LYS 13 1HZ LYS 13 7.019 4.703 1.384 92 2HZ LYS 13 2HZ LYS 13 6.659 3.893 2.825 93 3HZ LYS 13 3HZ LYS 13 5.890 5.350 2.465 94 H GLU 14 H GLU 14 3.394 0.917 4.772 95 HA GLU 14 HA GLU 14 4.882 -1.079 5.956 96 1HB GLU 14 2HB GLU 14 3.451 1.322 7.059 97 2HB GLU 14 1HB GLU 14 4.238 0.196 8.158 98 1HG GLU 14 2HG GLU 14 6.367 0.619 7.216 99 2HG GLU 14 1HG GLU 14 5.664 1.492 5.856 100 H ALA 15 H ALA 15 1.471 -0.395 6.133 101 HA ALA 15 HA ALA 15 0.957 -2.501 8.068 102 1HB ALA 15 1HB ALA 15 -1.174 -1.104 6.494 103 2HB ALA 15 2HB ALA 15 -0.332 -0.273 7.801 104 3HB ALA 15 3HB ALA 15 -1.239 -1.748 8.135 105 H ALA 16 H ALA 16 0.691 -1.980 4.601 106 HA ALA 16 HA ALA 16 -0.799 -4.329 4.025 107 1HB ALA 16 1HB ALA 16 -0.851 -2.661 2.371 108 2HB ALA 16 2HB ALA 16 0.121 -3.958 1.678 109 3HB ALA 16 3HB ALA 16 0.906 -2.523 2.332 110 H ILE 17 H ILE 17 2.577 -3.693 4.573 111 HA ILE 17 HA ILE 17 3.519 -6.132 3.392 112 HB ILE 17 HB ILE 17 5.031 -4.235 3.570 113 1HG1 ILE 17 2HG1 ILE 17 6.060 -6.336 5.470 114 2HG1 ILE 17 1HG1 ILE 17 5.836 -6.663 3.755 115 1HG2 ILE 17 1HG2 ILE 17 5.958 -3.732 5.909 116 2HG2 ILE 17 2HG2 ILE 17 4.480 -4.487 6.501 117 3HG2 ILE 17 3HG2 ILE 17 4.389 -3.062 5.469 118 1HD1 ILE 17 1HD1 ILE 17 7.335 -4.672 3.325 119 2HD1 ILE 17 2HD1 ILE 17 8.098 -6.104 4.018 120 3HD1 ILE 17 3HD1 ILE 17 7.719 -4.721 5.047 121 H LYS 18 H LYS 18 2.506 -5.066 6.570 122 HA LYS 18 HA LYS 18 3.452 -7.207 8.106 123 1HB LYS 18 2HB LYS 18 1.759 -4.961 8.477 124 2HB LYS 18 1HB LYS 18 0.880 -6.368 9.060 125 1HG LYS 18 2HG LYS 18 2.974 -6.937 10.382 126 2HG LYS 18 1HG LYS 18 3.526 -5.306 9.993 127 1HD LYS 18 2HD LYS 18 1.012 -4.806 10.880 128 2HD LYS 18 1HD LYS 18 1.441 -6.206 11.863 129 1HE LYS 18 2HE LYS 18 3.293 -3.862 11.576 130 2HE LYS 18 1HE LYS 18 2.000 -3.869 12.765 131 1HZ LYS 18 1HZ LYS 18 3.997 -4.648 13.789 132 2HZ LYS 18 2HZ LYS 18 4.240 -5.802 12.577 133 3HZ LYS 18 3HZ LYS 18 2.940 -5.961 13.645 134 H GLU 19 H GLU 19 0.689 -6.897 5.996 135 HA GLU 19 HA GLU 19 -0.535 -9.360 6.836 136 1HB GLU 19 2HB GLU 19 -1.145 -7.190 4.983 137 2HB GLU 19 1HB GLU 19 -1.536 -8.768 4.311 138 1HG GLU 19 2HG GLU 19 -3.500 -8.233 5.347 139 2HG GLU 19 1HG GLU 19 -2.689 -9.145 6.620 140 H LEU 20 H LEU 20 1.544 -8.289 4.194 141 HA LEU 20 HA LEU 20 1.504 -10.626 2.672 142 1HB LEU 20 2HB LEU 20 3.007 -8.201 2.739 143 2HB LEU 20 1HB LEU 20 4.117 -9.547 2.551 144 HG LEU 20 HG LEU 20 2.006 -10.053 0.778 145 1HD1 LEU 20 1HD1 LEU 20 1.371 -8.163 -0.234 146 2HD1 LEU 20 2HD1 LEU 20 2.970 -7.429 -0.085 147 3HD1 LEU 20 3HD1 LEU 20 1.857 -7.402 1.282 148 1HD2 LEU 20 1HD2 LEU 20 4.697 -10.195 0.761 149 2HD2 LEU 20 2HD2 LEU 20 4.437 -8.821 -0.314 150 3HD2 LEU 20 3HD2 LEU 20 3.688 -10.376 -0.673 151 H LYS 21 H LYS 21 3.261 -9.770 5.568 152 HA LYS 21 HA LYS 21 4.923 -12.136 5.489 153 1HB LYS 21 2HB LYS 21 5.726 -11.356 7.697 154 2HB LYS 21 1HB LYS 21 5.856 -10.117 6.457 155 1HG LYS 21 2HG LYS 21 3.981 -8.942 7.314 156 2HG LYS 21 1HG LYS 21 3.567 -10.271 8.398 157 1HD LYS 21 2HD LYS 21 6.291 -9.285 8.762 158 2HD LYS 21 1HD LYS 21 5.058 -8.059 9.063 159 1HE LYS 21 2HE LYS 21 5.406 -9.111 11.137 160 2HE LYS 21 1HE LYS 21 3.904 -9.793 10.515 161 1HZ LYS 21 1HZ LYS 21 5.140 -11.729 9.761 162 2HZ LYS 21 2HZ LYS 21 5.336 -11.507 11.426 163 3HZ LYS 21 3HZ LYS 21 6.580 -11.075 10.365 164 H GLN 22 H GLN 22 2.060 -10.973 7.195 165 HA GLN 22 HA GLN 22 1.857 -13.206 8.954 166 1HB GLN 22 2HB GLN 22 0.381 -10.784 8.416 167 2HB GLN 22 1HB GLN 22 -0.723 -12.145 8.563 168 1HG GLN 22 2HG GLN 22 -0.218 -12.501 10.759 169 2HG GLN 22 1HG GLN 22 1.404 -11.826 10.610 170 1HE2 GLN 22 1HE2 GLN 22 -1.731 -11.283 11.645 171 2HE2 GLN 22 2HE2 GLN 22 -1.628 -9.580 11.918 172 H TYR 23 H TYR 23 0.877 -12.569 5.686 173 HA TYR 23 HA TYR 23 -0.914 -14.837 5.535 174 1HB TYR 23 2HB TYR 23 0.079 -12.798 3.552 175 2HB TYR 23 1HB TYR 23 -0.829 -14.218 3.029 176 HD1 TYR 23 1HD TYR 23 -2.978 -14.567 4.793 177 HD2 TYR 23 2HD TYR 23 -1.195 -10.907 3.570 178 HE1 TYR 23 1HE TYR 23 -5.080 -13.390 5.270 179 HE2 TYR 23 2HE TYR 23 -3.287 -9.719 4.042 180 HH TYR 23 HH TYR 23 -6.009 -10.748 4.147 181 H GLY 24 H GLY 24 2.357 -13.986 4.550 182 1HA GLY 24 2HA GLY 24 4.045 -15.716 4.524 183 2HA GLY 24 1HA GLY 24 2.819 -16.832 3.944 184 H ILE 25 H ILE 25 2.183 -14.108 2.263 185 HA ILE 25 HA ILE 25 3.000 -15.084 -0.199 186 HB ILE 25 HB ILE 25 3.103 -12.157 -0.132 187 1HG1 ILE 25 2HG1 ILE 25 0.652 -13.576 0.924 188 2HG1 ILE 25 1HG1 ILE 25 1.583 -12.312 1.724 189 1HG2 ILE 25 1HG2 ILE 25 2.028 -12.356 -2.097 190 2HG2 ILE 25 2HG2 ILE 25 0.952 -13.624 -1.515 191 3HG2 ILE 25 3HG2 ILE 25 2.608 -14.016 -1.991 192 1HD1 ILE 25 1HD1 ILE 25 0.916 -10.947 -0.434 193 2HD1 ILE 25 2HD1 ILE 25 -0.169 -11.082 0.951 194 3HD1 ILE 25 3HD1 ILE 25 -0.408 -12.109 -0.462 195 H GLY 26 H GLY 26 4.583 -13.843 -1.730 196 1HA GLY 26 2HA GLY 26 7.195 -14.100 -0.534 197 2HA GLY 26 1HA GLY 26 6.844 -13.752 -2.225 198 H ASP 27 H ASP 27 8.883 -12.493 -0.758 199 HA ASP 27 HA ASP 27 8.075 -9.963 0.243 200 1HB ASP 27 2HB ASP 27 10.659 -11.252 -0.481 201 2HB ASP 27 1HB ASP 27 10.633 -9.495 -0.388 202 H TYR 28 H TYR 28 8.583 -11.181 -2.950 203 HA TYR 28 HA TYR 28 9.311 -9.001 -4.449 204 1HB TYR 28 2HB TYR 28 8.375 -11.441 -5.104 205 2HB TYR 28 1HB TYR 28 6.930 -10.488 -5.434 206 HD1 TYR 28 1HD TYR 28 6.692 -9.980 -7.658 207 HD2 TYR 28 2HD TYR 28 10.591 -9.979 -5.968 208 HE1 TYR 28 1HE TYR 28 7.615 -9.252 -9.811 209 HE2 TYR 28 2HE TYR 28 11.529 -9.254 -8.112 210 HH TYR 28 HH TYR 28 9.567 -8.161 -10.707 211 H TYR 29 H TYR 29 6.097 -9.837 -3.315 212 HA TYR 29 HA TYR 29 4.874 -7.483 -4.339 213 1HB TYR 29 2HB TYR 29 3.718 -9.404 -2.321 214 2HB TYR 29 1HB TYR 29 2.842 -8.357 -3.432 215 HD1 TYR 29 1HD TYR 29 4.776 -8.834 -5.804 216 HD2 TYR 29 2HD TYR 29 2.745 -11.468 -3.144 217 HE1 TYR 29 1HE TYR 29 4.870 -10.623 -7.493 218 HE2 TYR 29 2HE TYR 29 2.819 -13.251 -4.834 219 HH TYR 29 HH TYR 29 3.021 -13.432 -7.313 220 H ILE 30 H ILE 30 6.471 -8.173 -1.331 221 HA ILE 30 HA ILE 30 5.175 -6.032 0.096 222 HB ILE 30 HB ILE 30 6.500 -6.497 1.890 223 1HG1 ILE 30 2HG1 ILE 30 8.821 -7.682 1.541 224 2HG1 ILE 30 1HG1 ILE 30 8.677 -7.013 -0.081 225 1HG2 ILE 30 1HG2 ILE 30 5.473 -8.531 1.702 226 2HG2 ILE 30 2HG2 ILE 30 7.169 -8.991 1.828 227 3HG2 ILE 30 3HG2 ILE 30 6.375 -8.979 0.257 228 1HD1 ILE 30 1HD1 ILE 30 9.636 -5.204 0.793 229 2HD1 ILE 30 2HD1 ILE 30 9.261 -5.691 2.448 230 3HD1 ILE 30 3HD1 ILE 30 8.040 -4.872 1.467 231 H LYS 31 H LYS 31 7.922 -6.498 -1.959 232 HA LYS 31 HA LYS 31 9.028 -3.867 -1.573 233 1HB LYS 31 2HB LYS 31 9.675 -6.256 -3.231 234 2HB LYS 31 1HB LYS 31 10.325 -4.700 -3.724 235 1HG LYS 31 2HG LYS 31 11.968 -4.919 -2.262 236 2HG LYS 31 1HG LYS 31 10.794 -4.972 -0.947 237 1HD LYS 31 2HD LYS 31 10.583 -7.493 -1.892 238 2HD LYS 31 1HD LYS 31 12.275 -7.156 -2.262 239 1HE LYS 31 2HE LYS 31 11.970 -6.188 0.305 240 2HE LYS 31 1HE LYS 31 10.983 -7.648 0.300 241 1HZ LYS 31 1HZ LYS 31 12.781 -8.975 -0.008 242 2HZ LYS 31 2HZ LYS 31 13.549 -7.711 0.812 243 3HZ LYS 31 3HZ LYS 31 13.655 -7.813 -0.873 244 H LEU 32 H LEU 32 7.344 -5.593 -4.197 245 HA LEU 32 HA LEU 32 7.301 -3.564 -6.061 246 1HB LEU 32 2HB LEU 32 6.062 -5.003 -7.268 247 2HB LEU 32 1HB LEU 32 6.313 -6.098 -5.931 248 HG LEU 32 HG LEU 32 4.028 -6.215 -6.403 249 1HD1 LEU 32 1HD1 LEU 32 3.500 -6.076 -4.263 250 2HD1 LEU 32 2HD1 LEU 32 3.505 -4.312 -4.332 251 3HD1 LEU 32 3HD1 LEU 32 5.008 -5.187 -4.011 252 1HD2 LEU 32 1HD2 LEU 32 2.743 -4.555 -7.221 253 2HD2 LEU 32 2HD2 LEU 32 4.286 -3.768 -7.555 254 3HD2 LEU 32 3HD2 LEU 32 3.387 -3.365 -6.092 255 H ILE 33 H ILE 33 5.758 -3.692 -3.049 256 HA ILE 33 HA ILE 33 3.613 -1.862 -3.597 257 HB ILE 33 HB ILE 33 4.734 -3.227 -1.189 258 1HG1 ILE 33 2HG1 ILE 33 2.037 -2.979 -2.504 259 2HG1 ILE 33 1HG1 ILE 33 3.049 -4.408 -2.354 260 1HG2 ILE 33 1HG2 ILE 33 2.576 -1.558 -0.340 261 2HG2 ILE 33 2HG2 ILE 33 3.858 -0.554 -1.007 262 3HG2 ILE 33 3HG2 ILE 33 4.211 -1.677 0.302 263 1HD1 ILE 33 1HD1 ILE 33 0.932 -3.624 -0.711 264 2HD1 ILE 33 2HD1 ILE 33 2.397 -3.407 0.249 265 3HD1 ILE 33 3HD1 ILE 33 2.042 -4.974 -0.474 266 H ASN 34 H ASN 34 6.615 -1.681 -1.698 267 HA ASN 34 HA ASN 34 6.542 0.987 -1.016 268 1HB ASN 34 2HB ASN 34 8.245 -1.016 -0.518 269 2HB ASN 34 1HB ASN 34 9.199 -0.136 -1.709 270 1HD2 ASN 34 1HD2 ASN 34 9.369 -0.564 1.282 271 2HD2 ASN 34 2HD2 ASN 34 9.598 1.025 1.919 272 H ASN 35 H ASN 35 7.212 -0.366 -4.142 273 HA ASN 35 HA ASN 35 8.675 1.866 -5.147 274 1HB ASN 35 2HB ASN 35 8.477 0.833 -7.316 275 2HB ASN 35 1HB ASN 35 8.823 -0.411 -6.120 276 1HD2 ASN 35 1HD2 ASN 35 8.006 -2.002 -7.482 277 2HD2 ASN 35 2HD2 ASN 35 6.308 -2.208 -7.732 278 H ALA 36 H ALA 36 5.312 1.281 -4.683 279 HA ALA 36 HA ALA 36 4.129 2.757 -6.692 280 1HB ALA 36 1HB ALA 36 2.328 2.148 -5.566 281 2HB ALA 36 2HB ALA 36 2.711 3.320 -4.305 282 3HB ALA 36 3HB ALA 36 3.334 1.674 -4.197 283 H LYS 37 H LYS 37 3.284 4.919 -6.753 284 HA LYS 37 HA LYS 37 5.053 6.842 -5.405 285 1HB LYS 37 2HB LYS 37 4.591 8.376 -7.214 286 2HB LYS 37 1HB LYS 37 5.109 6.832 -7.881 287 1HG LYS 37 2HG LYS 37 2.194 7.391 -7.573 288 2HG LYS 37 1HG LYS 37 3.084 8.109 -8.911 289 1HD LYS 37 2HD LYS 37 3.100 6.195 -10.036 290 2HD LYS 37 1HD LYS 37 3.737 5.317 -8.644 291 1HE LYS 37 2HE LYS 37 1.673 4.646 -7.950 292 2HE LYS 37 1HE LYS 37 0.873 6.085 -8.581 293 1HZ LYS 37 1HZ LYS 37 0.321 4.019 -9.792 294 2HZ LYS 37 2HZ LYS 37 1.936 3.892 -10.276 295 3HZ LYS 37 3HZ LYS 37 1.002 5.207 -10.785 296 H THR 38 H THR 38 2.049 5.593 -5.062 297 HA THR 38 HA THR 38 1.065 8.027 -3.753 298 HB THR 38 HB THR 38 -1.170 7.662 -4.562 299 HG1 THR 38 1HG THR 38 -0.181 5.347 -5.866 300 1HG2 THR 38 1HG2 THR 38 -0.804 8.611 -6.518 301 2HG2 THR 38 2HG2 THR 38 -0.126 7.125 -7.176 302 3HG2 THR 38 3HG2 THR 38 0.910 8.264 -6.317 303 H VAL 39 H VAL 39 -1.445 6.327 -3.132 304 HA VAL 39 HA VAL 39 -0.238 4.373 -1.344 305 HB VAL 39 HB VAL 39 -0.720 6.714 -0.237 306 1HG1 VAL 39 1HG1 VAL 39 -3.112 6.712 -0.830 307 2HG1 VAL 39 2HG1 VAL 39 -2.830 6.771 0.912 308 3HG1 VAL 39 3HG1 VAL 39 -3.321 5.260 0.148 309 1HG2 VAL 39 1HG2 VAL 39 -1.299 5.231 1.859 310 2HG2 VAL 39 2HG2 VAL 39 0.284 5.146 1.079 311 3HG2 VAL 39 3HG2 VAL 39 -0.936 3.926 0.732 312 H GLU 40 H GLU 40 -3.272 5.728 -2.589 313 HA GLU 40 HA GLU 40 -5.041 3.783 -1.793 314 1HB GLU 40 2HB GLU 40 -5.630 5.857 -3.047 315 2HB GLU 40 1HB GLU 40 -5.020 5.097 -4.510 316 1HG GLU 40 2HG GLU 40 -6.899 3.945 -4.815 317 2HG GLU 40 1HG GLU 40 -6.967 3.446 -3.128 318 H GLY 41 H GLY 41 -2.686 3.640 -4.386 319 1HA GLY 41 2HA GLY 41 -3.667 1.072 -5.323 320 2HA GLY 41 1HA GLY 41 -2.272 1.947 -5.941 321 H VAL 42 H VAL 42 -1.129 2.321 -3.274 322 HA VAL 42 HA VAL 42 0.569 0.118 -3.159 323 HB VAL 42 HB VAL 42 -0.080 1.988 -0.883 324 1HG1 VAL 42 1HG1 VAL 42 2.107 0.030 -1.438 325 2HG1 VAL 42 2HG1 VAL 42 1.128 0.221 0.022 326 3HG1 VAL 42 3HG1 VAL 42 2.376 1.412 -0.371 327 1HG2 VAL 42 1HG2 VAL 42 1.389 3.528 -1.720 328 2HG2 VAL 42 2HG2 VAL 42 0.741 2.890 -3.230 329 3HG2 VAL 42 3HG2 VAL 42 2.299 2.328 -2.629 330 H GLU 43 H GLU 43 -2.194 0.911 -1.068 331 HA GLU 43 HA GLU 43 -1.994 -1.468 0.481 332 1HB GLU 43 2HB GLU 43 -4.512 -0.792 0.965 333 2HB GLU 43 1HB GLU 43 -3.168 0.114 1.650 334 1HG GLU 43 2HG GLU 43 -3.403 1.848 0.078 335 2HG GLU 43 1HG GLU 43 -4.484 0.888 -0.934 336 H SER 44 H SER 44 -4.217 -0.491 -2.116 337 HA SER 44 HA SER 44 -5.603 -2.936 -2.251 338 1HB SER 44 2HB SER 44 -6.750 -1.988 -3.998 339 2HB SER 44 1HB SER 44 -6.037 -0.524 -3.319 340 HG SER 44 HG SER 44 -4.323 -0.793 -4.858 341 H LEU 45 H LEU 45 -2.523 -1.935 -3.402 342 HA LEU 45 HA LEU 45 -2.119 -3.644 -5.570 343 1HB LEU 45 2HB LEU 45 -0.452 -2.114 -3.709 344 2HB LEU 45 1HB LEU 45 0.345 -3.529 -4.357 345 1HD1 LEU 45 1HD1 LEU 45 1.951 -2.082 -6.473 346 2HD1 LEU 45 2HD1 LEU 45 0.796 -2.797 -7.598 347 3HD1 LEU 45 3HD1 LEU 45 1.248 -3.663 -6.130 348 1HD2 LEU 45 1HD2 LEU 45 -2.181 -1.733 -6.132 349 2HD2 LEU 45 2HD2 LEU 45 -1.365 -2.632 -7.409 350 3HD2 LEU 45 3HD2 LEU 45 -1.147 -0.887 -7.283 351 H LYS 46 H LYS 46 -1.078 -4.189 -2.191 352 HA LYS 46 HA LYS 46 -0.421 -6.910 -2.671 353 1HB LYS 46 2HB LYS 46 0.729 -6.355 -0.827 354 2HB LYS 46 1HB LYS 46 -0.381 -5.065 -0.393 355 1HG LYS 46 2HG LYS 46 -1.123 -7.931 0.081 356 2HG LYS 46 1HG LYS 46 -0.048 -7.080 1.198 357 1HD LYS 46 2HD LYS 46 -1.816 -5.274 1.328 358 2HD LYS 46 1HD LYS 46 -2.890 -6.387 0.485 359 1HE LYS 46 2HE LYS 46 -3.079 -7.785 2.266 360 2HE LYS 46 1HE LYS 46 -1.469 -7.400 2.878 361 1HZ LYS 46 1HZ LYS 46 -3.989 -5.912 3.231 362 2HZ LYS 46 2HZ LYS 46 -2.506 -5.109 3.360 363 3HZ LYS 46 3HZ LYS 46 -2.865 -6.393 4.399 364 H ASN 47 H ASN 47 -3.237 -5.329 -1.183 365 HA ASN 47 HA ASN 47 -4.593 -7.670 -0.452 366 1HB ASN 47 2HB ASN 47 -5.125 -5.099 -0.031 367 2HB ASN 47 1HB ASN 47 -6.163 -5.320 -1.437 368 1HD2 ASN 47 1HD2 ASN 47 -7.281 -4.641 0.920 369 2HD2 ASN 47 2HD2 ASN 47 -8.164 -5.972 1.577 370 H GLU 48 H GLU 48 -4.183 -6.112 -3.527 371 HA GLU 48 HA GLU 48 -6.272 -7.589 -4.847 372 1HB GLU 48 2HB GLU 48 -5.600 -5.390 -5.689 373 2HB GLU 48 1HB GLU 48 -3.967 -5.980 -5.970 374 1HG GLU 48 2HG GLU 48 -5.991 -7.593 -7.289 375 2HG GLU 48 1HG GLU 48 -6.010 -5.907 -7.803 376 H ILE 49 H ILE 49 -2.816 -7.860 -4.360 377 HA ILE 49 HA ILE 49 -2.363 -9.993 -6.177 378 HB ILE 49 HB ILE 49 -0.234 -10.273 -5.166 379 1HG1 ILE 49 2HG1 ILE 49 -0.704 -8.504 -2.839 380 2HG1 ILE 49 1HG1 ILE 49 -1.399 -10.109 -2.741 381 1HG2 ILE 49 1HG2 ILE 49 -1.157 -7.769 -5.955 382 2HG2 ILE 49 2HG2 ILE 49 0.513 -8.329 -5.909 383 3HG2 ILE 49 3HG2 ILE 49 -0.169 -7.476 -4.526 384 1HD1 ILE 49 1HD1 ILE 49 1.446 -9.768 -3.502 385 2HD1 ILE 49 2HD1 ILE 49 0.650 -11.119 -2.697 386 3HD1 ILE 49 3HD1 ILE 49 0.959 -9.620 -1.814 387 H LEU 50 H LEU 50 -3.586 -9.752 -2.967 388 HA LEU 50 HA LEU 50 -3.359 -12.543 -2.336 389 1HB LEU 50 2HB LEU 50 -4.765 -10.215 -1.032 390 2HB LEU 50 1HB LEU 50 -4.814 -11.844 -0.377 391 HG LEU 50 HG LEU 50 -2.116 -10.790 -0.935 392 1HD1 LEU 50 1HD1 LEU 50 -2.130 -9.510 1.216 393 2HD1 LEU 50 2HD1 LEU 50 -3.892 -9.594 1.177 394 3HD1 LEU 50 3HD1 LEU 50 -3.018 -8.761 -0.110 395 1HD2 LEU 50 1HD2 LEU 50 -1.951 -11.715 1.511 396 2HD2 LEU 50 2HD2 LEU 50 -2.041 -12.816 0.134 397 3HD2 LEU 50 3HD2 LEU 50 -3.483 -12.485 1.098 398 H LYS 51 H LYS 51 -5.764 -10.383 -3.676 399 HA LYS 51 HA LYS 51 -7.993 -12.111 -3.431 400 1HB LYS 51 2HB LYS 51 -7.925 -9.595 -4.038 401 2HB LYS 51 1HB LYS 51 -7.633 -10.145 -5.682 402 1HG LYS 51 2HG LYS 51 -9.731 -11.279 -5.754 403 2HG LYS 51 1HG LYS 51 -10.000 -10.996 -4.033 404 1HD LYS 51 2HD LYS 51 -9.727 -8.797 -6.077 405 2HD LYS 51 1HD LYS 51 -11.269 -9.472 -5.554 406 1HE LYS 51 2HE LYS 51 -9.565 -8.710 -3.325 407 2HE LYS 51 1HE LYS 51 -9.936 -7.356 -4.391 408 1HZ LYS 51 1HZ LYS 51 -11.609 -7.483 -2.720 409 2HZ LYS 51 2HZ LYS 51 -11.878 -9.127 -3.015 410 3HZ LYS 51 3HZ LYS 51 -12.311 -7.978 -4.177 411 H ALA 52 H ALA 52 -5.216 -12.156 -5.418 412 HA ALA 52 HA ALA 52 -6.141 -14.547 -6.753 413 1HB ALA 52 1HB ALA 52 -6.919 -12.777 -8.258 414 2HB ALA 52 2HB ALA 52 -5.645 -13.744 -9.003 415 3HB ALA 52 3HB ALA 52 -5.275 -12.144 -8.358 416 H LEU 53 H LEU 53 -4.430 -15.294 -5.293 417 HA LEU 53 HA LEU 53 -1.715 -14.498 -5.849 418 1HB LEU 53 2HB LEU 53 -2.888 -16.648 -4.090 419 2HB LEU 53 1HB LEU 53 -1.166 -16.355 -4.238 420 HG LEU 53 HG LEU 53 -3.120 -14.256 -3.307 421 1HD1 LEU 53 1HD1 LEU 53 -3.329 -15.673 -1.544 422 2HD1 LEU 53 2HD1 LEU 53 -1.828 -14.875 -1.072 423 3HD1 LEU 53 3HD1 LEU 53 -1.780 -16.459 -1.846 424 1HD2 LEU 53 1HD2 LEU 53 -1.161 -13.097 -2.535 425 2HD2 LEU 53 2HD2 LEU 53 -0.951 -13.492 -4.241 426 3HD2 LEU 53 3HD2 LEU 53 -0.126 -14.445 -3.008 427 HA PRO 54 HA PRO 54 -0.961 -17.513 -9.004 428 1HB PRO 54 2HB PRO 54 1.729 -17.546 -8.987 429 2HB PRO 54 1HB PRO 54 0.815 -16.149 -9.568 430 1HG PRO 54 2HG PRO 54 2.138 -16.578 -6.918 431 2HG PRO 54 1HG PRO 54 2.123 -15.129 -7.938 432 1HD PRO 54 2HD PRO 54 0.494 -15.465 -5.771 433 2HD PRO 54 1HD PRO 54 0.067 -14.460 -7.169 434 H THR 55 H THR 55 -1.400 -19.607 -8.683 435 HA THR 55 HA THR 55 0.022 -21.054 -6.560 436 HB THR 55 HB THR 55 -1.761 -22.795 -6.924 437 HG1 THR 55 1HG THR 55 -2.963 -22.565 -8.606 438 1HG2 THR 55 1HG2 THR 55 -3.629 -20.841 -6.308 439 2HG2 THR 55 2HG2 THR 55 -2.094 -20.200 -5.722 440 3HG2 THR 55 3HG2 THR 55 -2.657 -21.780 -5.176 441 H GLU 56 H GLU 56 0.222 -23.516 -7.169 442 HA GLU 56 HA GLU 56 2.193 -23.715 -9.149 443 1HB GLU 56 2HB GLU 56 1.270 -25.331 -7.122 444 2HB GLU 56 1HB GLU 56 0.794 -26.224 -8.560 445 1HG GLU 56 2HG GLU 56 2.917 -27.029 -7.955 446 2HG GLU 56 1HG GLU 56 3.169 -25.987 -9.355 Start of MODEL 15 1 1H MET 1 1HT MET 1 -5.258 18.439 1.893 2 2H MET 1 2HT MET 1 -4.216 18.847 3.199 3 3H MET 1 3HT MET 1 -3.787 17.586 2.129 4 HA MET 1 HA MET 1 -3.859 19.310 0.335 5 1HB MET 1 2HB MET 1 -4.639 20.820 2.621 6 2HB MET 1 1HB MET 1 -3.084 21.438 2.083 7 1HG MET 1 2HG MET 1 -4.464 22.725 0.824 8 2HG MET 1 1HG MET 1 -4.274 21.359 -0.273 9 1HE MET 1 1HE MET 1 -6.742 23.007 -1.082 10 2HE MET 1 2HE MET 1 -6.534 23.795 0.473 11 3HE MET 1 3HE MET 1 -8.078 23.058 0.061 12 H GLU 2 H GLU 2 -2.071 20.051 3.324 13 HA GLU 2 HA GLU 2 0.279 18.668 2.396 14 1HB GLU 2 2HB GLU 2 0.085 21.107 1.353 15 2HB GLU 2 1HB GLU 2 0.760 21.558 2.915 16 1HG GLU 2 2HG GLU 2 2.312 19.414 2.039 17 2HG GLU 2 1HG GLU 2 2.056 20.421 0.612 18 H ALA 3 H ALA 3 1.283 17.853 4.112 19 HA ALA 3 HA ALA 3 1.857 19.263 6.473 20 1HB ALA 3 1HB ALA 3 -0.694 17.785 6.425 21 2HB ALA 3 2HB ALA 3 -0.207 19.186 7.381 22 3HB ALA 3 3HB ALA 3 0.316 17.569 7.854 23 H VAL 4 H VAL 4 0.731 15.905 6.235 24 HA VAL 4 HA VAL 4 3.450 14.911 6.085 25 HB VAL 4 HB VAL 4 1.749 14.085 8.434 26 1HG1 VAL 4 1HG1 VAL 4 3.389 12.647 8.986 27 2HG1 VAL 4 2HG1 VAL 4 4.669 13.742 8.451 28 3HG1 VAL 4 3HG1 VAL 4 3.793 12.760 7.273 29 1HG2 VAL 4 1HG2 VAL 4 2.319 16.395 8.777 30 2HG2 VAL 4 2HG2 VAL 4 3.993 16.096 8.329 31 3HG2 VAL 4 3HG2 VAL 4 3.348 15.409 9.816 32 H ASP 5 H ASP 5 1.362 14.697 4.267 33 HA ASP 5 HA ASP 5 -0.256 12.436 4.472 34 1HB ASP 5 2HB ASP 5 -0.074 14.360 2.649 35 2HB ASP 5 1HB ASP 5 0.907 13.156 1.817 36 H ALA 6 H ALA 6 3.129 12.736 3.683 37 HA ALA 6 HA ALA 6 3.577 10.274 2.447 38 1HB ALA 6 1HB ALA 6 5.352 11.777 2.345 39 2HB ALA 6 2HB ALA 6 5.924 10.541 3.467 40 3HB ALA 6 3HB ALA 6 5.322 12.083 4.081 41 H ASN 7 H ASN 7 3.157 11.096 5.823 42 HA ASN 7 HA ASN 7 4.148 8.671 6.908 43 1HB ASN 7 2HB ASN 7 3.779 10.839 8.166 44 2HB ASN 7 1HB ASN 7 2.055 10.461 8.149 45 1HD2 ASN 7 1HD2 ASN 7 1.529 9.884 10.124 46 2HD2 ASN 7 2HD2 ASN 7 2.362 8.729 11.105 47 H SER 8 H SER 8 0.872 9.797 6.121 48 HA SER 8 HA SER 8 -0.452 7.445 6.939 49 1HB SER 8 2HB SER 8 -1.164 9.941 5.732 50 2HB SER 8 1HB SER 8 -1.919 8.641 4.815 51 HG SER 8 HG SER 8 -2.762 7.858 6.798 52 H LEU 9 H LEU 9 1.138 8.384 3.978 53 HA LEU 9 HA LEU 9 0.113 6.313 2.330 54 1HB LEU 9 2HB LEU 9 1.199 8.427 1.542 55 2HB LEU 9 1HB LEU 9 2.739 7.772 2.063 56 HG LEU 9 HG LEU 9 0.989 6.524 -0.051 57 1HD1 LEU 9 1HD1 LEU 9 3.216 7.367 -1.328 58 2HD1 LEU 9 2HD1 LEU 9 2.977 8.665 -0.157 59 3HD1 LEU 9 3HD1 LEU 9 1.689 8.247 -1.288 60 1HD2 LEU 9 1HD2 LEU 9 3.525 5.760 1.251 61 2HD2 LEU 9 2HD2 LEU 9 3.445 5.562 -0.499 62 3HD2 LEU 9 3HD2 LEU 9 2.266 4.755 0.534 63 H ALA 10 H ALA 10 3.080 6.693 4.226 64 HA ALA 10 HA ALA 10 4.294 4.271 3.493 65 1HB ALA 10 1HB ALA 10 5.753 4.620 5.403 66 2HB ALA 10 2HB ALA 10 4.651 5.840 6.040 67 3HB ALA 10 3HB ALA 10 5.501 6.121 4.523 68 H GLN 11 H GLN 11 1.642 4.865 5.583 69 HA GLN 11 HA GLN 11 2.002 2.514 7.197 70 1HB GLN 11 2HB GLN 11 0.893 4.333 8.251 71 2HB GLN 11 1HB GLN 11 -0.236 4.507 6.912 72 1HG GLN 11 2HG GLN 11 -1.145 2.291 7.455 73 2HG GLN 11 1HG GLN 11 -0.100 2.232 8.869 74 1HE2 GLN 11 1HE2 GLN 11 -1.199 2.625 10.642 75 2HE2 GLN 11 2HE2 GLN 11 -2.462 3.787 10.827 76 H ALA 12 H ALA 12 -0.031 3.477 4.459 77 HA ALA 12 HA ALA 12 -1.665 1.245 4.294 78 1HB ALA 12 1HB ALA 12 -0.585 2.276 1.745 79 2HB ALA 12 2HB ALA 12 -1.373 3.449 2.807 80 3HB ALA 12 3HB ALA 12 -2.259 2.028 2.251 81 H LYS 13 H LYS 13 1.642 1.718 3.284 82 HA LYS 13 HA LYS 13 1.852 -0.947 2.145 83 1HB LYS 13 2HB LYS 13 4.388 -0.081 2.106 84 2HB LYS 13 1HB LYS 13 3.214 0.347 0.875 85 1HG LYS 13 2HG LYS 13 2.914 2.481 1.698 86 2HG LYS 13 1HG LYS 13 3.586 2.066 3.281 87 1HD LYS 13 2HD LYS 13 5.124 2.234 0.684 88 2HD LYS 13 1HD LYS 13 5.144 3.440 1.970 89 1HE LYS 13 2HE LYS 13 6.225 0.636 2.018 90 2HE LYS 13 1HE LYS 13 7.099 2.148 2.254 91 1HZ LYS 13 1HZ LYS 13 5.318 2.279 4.230 92 2HZ LYS 13 2HZ LYS 13 6.860 1.610 4.407 93 3HZ LYS 13 3HZ LYS 13 5.529 0.602 4.139 94 H GLU 14 H GLU 14 3.404 0.900 4.783 95 HA GLU 14 HA GLU 14 4.902 -1.124 5.920 96 1HB GLU 14 2HB GLU 14 3.566 1.328 6.999 97 2HB GLU 14 1HB GLU 14 4.199 0.156 8.147 98 1HG GLU 14 2HG GLU 14 6.265 0.478 6.347 99 2HG GLU 14 1HG GLU 14 5.596 2.099 6.516 100 H ALA 15 H ALA 15 1.504 -0.375 6.161 101 HA ALA 15 HA ALA 15 0.939 -2.453 8.092 102 1HB ALA 15 1HB ALA 15 -0.352 -0.255 7.759 103 2HB ALA 15 2HB ALA 15 -1.282 -1.728 8.032 104 3HB ALA 15 3HB ALA 15 -1.124 -1.076 6.402 105 H ALA 16 H ALA 16 0.308 -1.932 4.625 106 HA ALA 16 HA ALA 16 -0.954 -4.373 4.094 107 1HB ALA 16 1HB ALA 16 0.624 -2.484 2.371 108 2HB ALA 16 2HB ALA 16 -1.117 -2.759 2.406 109 3HB ALA 16 3HB ALA 16 -0.044 -3.982 1.724 110 H ILE 17 H ILE 17 2.362 -3.581 4.630 111 HA ILE 17 HA ILE 17 3.496 -5.917 3.443 112 HB ILE 17 HB ILE 17 4.450 -3.555 4.862 113 1HG1 ILE 17 2HG1 ILE 17 6.411 -5.029 3.313 114 2HG1 ILE 17 1HG1 ILE 17 4.886 -4.879 2.446 115 1HG2 ILE 17 1HG2 ILE 17 5.106 -5.095 6.595 116 2HG2 ILE 17 2HG2 ILE 17 6.533 -4.545 5.718 117 3HG2 ILE 17 3HG2 ILE 17 5.874 -6.151 5.410 118 1HD1 ILE 17 1HD1 ILE 17 6.709 -2.720 3.423 119 2HD1 ILE 17 2HD1 ILE 17 5.021 -2.394 3.033 120 3HD1 ILE 17 3HD1 ILE 17 6.108 -3.017 1.791 121 H LYS 18 H LYS 18 2.298 -5.007 6.597 122 HA LYS 18 HA LYS 18 3.322 -7.179 8.078 123 1HB LYS 18 2HB LYS 18 1.458 -4.992 8.474 124 2HB LYS 18 1HB LYS 18 0.889 -6.463 9.254 125 1HG LYS 18 2HG LYS 18 2.242 -6.035 10.951 126 2HG LYS 18 1HG LYS 18 3.619 -6.264 9.872 127 1HD LYS 18 2HD LYS 18 3.849 -3.989 9.474 128 2HD LYS 18 1HD LYS 18 2.183 -3.639 9.942 129 1HE LYS 18 2HE LYS 18 2.676 -3.921 12.243 130 2HE LYS 18 1HE LYS 18 4.252 -4.628 11.889 131 1HZ LYS 18 1HZ LYS 18 4.390 -2.308 12.634 132 2HZ LYS 18 2HZ LYS 18 3.487 -1.822 11.289 133 3HZ LYS 18 3HZ LYS 18 5.016 -2.515 11.075 134 H GLU 19 H GLU 19 0.751 -6.926 5.805 135 HA GLU 19 HA GLU 19 -0.584 -9.338 6.705 136 1HB GLU 19 2HB GLU 19 -1.054 -7.326 4.541 137 2HB GLU 19 1HB GLU 19 -1.817 -8.904 4.422 138 1HG GLU 19 2HG GLU 19 -2.180 -7.787 7.050 139 2HG GLU 19 1HG GLU 19 -2.743 -6.674 5.806 140 H LEU 20 H LEU 20 1.475 -8.278 4.044 141 HA LEU 20 HA LEU 20 1.415 -10.668 2.571 142 1HB LEU 20 2HB LEU 20 2.661 -8.189 2.344 143 2HB LEU 20 1HB LEU 20 3.987 -9.330 2.471 144 HG LEU 20 HG LEU 20 2.206 -10.473 0.646 145 1HD1 LEU 20 1HD1 LEU 20 2.311 -7.512 0.413 146 2HD1 LEU 20 2HD1 LEU 20 0.988 -8.626 0.070 147 3HD1 LEU 20 3HD1 LEU 20 2.334 -8.483 -1.060 148 1HD2 LEU 20 1HD2 LEU 20 4.808 -10.269 0.821 149 2HD2 LEU 20 2HD2 LEU 20 4.557 -8.912 -0.277 150 3HD2 LEU 20 3HD2 LEU 20 4.024 -10.528 -0.736 151 H LYS 21 H LYS 21 3.218 -9.670 5.385 152 HA LYS 21 HA LYS 21 4.961 -11.982 5.309 153 1HB LYS 21 2HB LYS 21 5.822 -11.111 7.462 154 2HB LYS 21 1HB LYS 21 5.879 -9.913 6.177 155 1HG LYS 21 2HG LYS 21 4.905 -8.536 7.620 156 2HG LYS 21 1HG LYS 21 3.429 -9.457 7.328 157 1HD LYS 21 2HD LYS 21 3.580 -10.592 9.309 158 2HD LYS 21 1HD LYS 21 5.341 -10.491 9.355 159 1HE LYS 21 2HE LYS 21 3.392 -8.261 9.922 160 2HE LYS 21 1HE LYS 21 4.387 -9.114 11.103 161 1HZ LYS 21 1HZ LYS 21 5.559 -7.176 10.696 162 2HZ LYS 21 2HZ LYS 21 5.223 -7.180 9.039 163 3HZ LYS 21 3HZ LYS 21 6.332 -8.285 9.678 164 H GLN 22 H GLN 22 2.070 -10.886 6.972 165 HA GLN 22 HA GLN 22 2.000 -13.032 8.858 166 1HB GLN 22 2HB GLN 22 0.824 -10.821 9.124 167 2HB GLN 22 1HB GLN 22 -0.321 -11.351 7.899 168 1HG GLN 22 2HG GLN 22 -1.361 -11.775 9.950 169 2HG GLN 22 1HG GLN 22 -0.781 -13.343 9.392 170 1HE2 GLN 22 1HE2 GLN 22 -0.817 -14.146 11.505 171 2HE2 GLN 22 2HE2 GLN 22 0.389 -13.711 12.663 172 H TYR 23 H TYR 23 0.923 -12.571 5.585 173 HA TYR 23 HA TYR 23 -0.753 -14.932 5.572 174 1HB TYR 23 2HB TYR 23 0.085 -12.947 3.464 175 2HB TYR 23 1HB TYR 23 -0.785 -14.425 3.049 176 HD1 TYR 23 1HD TYR 23 -1.262 -11.109 3.414 177 HD2 TYR 23 2HD TYR 23 -2.850 -14.752 4.924 178 HE1 TYR 23 1HE TYR 23 -3.381 -9.975 3.896 179 HE2 TYR 23 2HE TYR 23 -4.979 -13.628 5.412 180 HH TYR 23 HH TYR 23 -5.374 -10.463 5.667 181 H GLY 24 H GLY 24 2.436 -13.952 4.436 182 1HA GLY 24 2HA GLY 24 4.205 -15.612 4.458 183 2HA GLY 24 1HA GLY 24 3.021 -16.796 3.926 184 H ILE 25 H ILE 25 2.308 -14.076 2.204 185 HA ILE 25 HA ILE 25 3.100 -15.113 -0.249 186 HB ILE 25 HB ILE 25 3.130 -12.171 -0.206 187 1HG1 ILE 25 2HG1 ILE 25 0.686 -13.690 0.731 188 2HG1 ILE 25 1HG1 ILE 25 1.546 -12.421 1.599 189 1HG2 ILE 25 1HG2 ILE 25 1.190 -12.819 -1.890 190 2HG2 ILE 25 2HG2 ILE 25 1.979 -14.392 -1.793 191 3HG2 ILE 25 3HG2 ILE 25 2.896 -12.980 -2.315 192 1HD1 ILE 25 1HD1 ILE 25 -0.351 -12.214 -0.671 193 2HD1 ILE 25 2HD1 ILE 25 0.925 -11.009 -0.534 194 3HD1 ILE 25 3HD1 ILE 25 -0.221 -11.236 0.790 195 H GLY 26 H GLY 26 4.625 -13.846 -1.828 196 1HA GLY 26 2HA GLY 26 7.265 -14.076 -0.702 197 2HA GLY 26 1HA GLY 26 6.868 -13.698 -2.376 198 H ASP 27 H ASP 27 8.865 -12.492 -0.598 199 HA ASP 27 HA ASP 27 8.057 -9.976 0.337 200 1HB ASP 27 2HB ASP 27 10.577 -11.361 -0.152 201 2HB ASP 27 1HB ASP 27 10.696 -9.631 -0.462 202 H TYR 28 H TYR 28 8.612 -11.112 -2.877 203 HA TYR 28 HA TYR 28 9.346 -8.886 -4.307 204 1HB TYR 28 2HB TYR 28 8.460 -11.323 -5.037 205 2HB TYR 28 1HB TYR 28 7.008 -10.383 -5.375 206 HD1 TYR 28 1HD TYR 28 6.809 -9.855 -7.597 207 HD2 TYR 28 2HD TYR 28 10.668 -9.790 -5.817 208 HE1 TYR 28 1HE TYR 28 7.764 -9.071 -9.717 209 HE2 TYR 28 2HE TYR 28 11.638 -9.008 -7.927 210 HH TYR 28 HH TYR 28 9.963 -9.086 -10.866 211 H TYR 29 H TYR 29 6.120 -9.786 -3.248 212 HA TYR 29 HA TYR 29 4.886 -7.433 -4.255 213 1HB TYR 29 2HB TYR 29 3.715 -9.379 -2.269 214 2HB TYR 29 1HB TYR 29 2.851 -8.325 -3.381 215 HD1 TYR 29 1HD TYR 29 2.693 -11.416 -3.141 216 HD2 TYR 29 2HD TYR 29 4.869 -8.802 -5.711 217 HE1 TYR 29 1HE TYR 29 2.790 -13.186 -4.845 218 HE2 TYR 29 2HE TYR 29 4.977 -10.576 -7.414 219 HH TYR 29 HH TYR 29 3.315 -12.779 -7.891 220 H ILE 30 H ILE 30 6.463 -8.129 -1.242 221 HA ILE 30 HA ILE 30 5.115 -6.036 0.206 222 HB ILE 30 HB ILE 30 6.427 -6.513 2.003 223 1HG1 ILE 30 2HG1 ILE 30 8.799 -7.587 1.663 224 2HG1 ILE 30 1HG1 ILE 30 8.652 -6.891 0.053 225 1HG2 ILE 30 1HG2 ILE 30 6.447 -8.954 0.306 226 2HG2 ILE 30 2HG2 ILE 30 5.489 -8.582 1.733 227 3HG2 ILE 30 3HG2 ILE 30 7.199 -8.966 1.898 228 1HD1 ILE 30 1HD1 ILE 30 7.905 -4.808 1.632 229 2HD1 ILE 30 2HD1 ILE 30 9.527 -5.065 0.981 230 3HD1 ILE 30 3HD1 ILE 30 9.138 -5.597 2.618 231 H LYS 31 H LYS 31 7.901 -6.404 -1.823 232 HA LYS 31 HA LYS 31 8.927 -3.748 -1.386 233 1HB LYS 31 2HB LYS 31 9.695 -6.144 -2.942 234 2HB LYS 31 1HB LYS 31 10.207 -4.598 -3.605 235 1HG LYS 31 2HG LYS 31 11.997 -4.884 -2.294 236 2HG LYS 31 1HG LYS 31 10.933 -4.308 -1.009 237 1HD LYS 31 2HD LYS 31 10.309 -6.940 -1.031 238 2HD LYS 31 1HD LYS 31 12.002 -7.005 -1.523 239 1HE LYS 31 2HE LYS 31 11.494 -5.189 0.711 240 2HE LYS 31 1HE LYS 31 11.093 -6.870 1.060 241 1HZ LYS 31 1HZ LYS 31 13.459 -7.169 -0.106 242 2HZ LYS 31 2HZ LYS 31 13.271 -6.959 1.562 243 3HZ LYS 31 3HZ LYS 31 13.682 -5.641 0.586 244 H LEU 32 H LEU 32 7.341 -5.487 -4.064 245 HA LEU 32 HA LEU 32 7.269 -3.443 -5.905 246 1HB LEU 32 2HB LEU 32 6.081 -4.903 -7.138 247 2HB LEU 32 1HB LEU 32 6.331 -6.000 -5.802 248 HG LEU 32 HG LEU 32 4.057 -6.153 -6.324 249 1HD1 LEU 32 1HD1 LEU 32 4.981 -5.146 -3.903 250 2HD1 LEU 32 2HD1 LEU 32 3.490 -6.059 -4.192 251 3HD1 LEU 32 3HD1 LEU 32 3.470 -4.294 -4.230 252 1HD2 LEU 32 1HD2 LEU 32 3.360 -3.318 -5.979 253 2HD2 LEU 32 2HD2 LEU 32 2.752 -4.504 -7.134 254 3HD2 LEU 32 3HD2 LEU 32 4.286 -3.686 -7.434 255 H ILE 33 H ILE 33 5.649 -3.667 -2.925 256 HA ILE 33 HA ILE 33 3.492 -1.861 -3.481 257 HB ILE 33 HB ILE 33 4.598 -3.229 -1.064 258 1HG1 ILE 33 2HG1 ILE 33 1.929 -3.030 -2.437 259 2HG1 ILE 33 1HG1 ILE 33 2.963 -4.440 -2.262 260 1HG2 ILE 33 1HG2 ILE 33 3.942 -1.759 0.461 261 2HG2 ILE 33 2HG2 ILE 33 2.369 -1.566 -0.309 262 3HG2 ILE 33 3HG2 ILE 33 3.733 -0.587 -0.835 263 1HD1 ILE 33 1HD1 ILE 33 1.885 -5.033 -0.433 264 2HD1 ILE 33 2HD1 ILE 33 0.797 -3.663 -0.659 265 3HD1 ILE 33 3HD1 ILE 33 2.248 -3.485 0.328 266 H ASN 34 H ASN 34 6.451 -1.638 -1.507 267 HA ASN 34 HA ASN 34 6.317 1.051 -0.872 268 1HB ASN 34 2HB ASN 34 8.019 -0.910 -0.246 269 2HB ASN 34 1HB ASN 34 9.001 -0.086 -1.453 270 1HD2 ASN 34 1HD2 ASN 34 9.316 -0.365 1.464 271 2HD2 ASN 34 2HD2 ASN 34 9.450 1.248 2.069 272 H ASN 35 H ASN 35 7.096 -0.415 -3.907 273 HA ASN 35 HA ASN 35 8.596 1.706 -5.030 274 1HB ASN 35 2HB ASN 35 7.620 -0.843 -5.865 275 2HB ASN 35 1HB ASN 35 7.168 0.344 -7.083 276 1HD2 ASN 35 1HD2 ASN 35 9.632 -1.587 -5.846 277 2HD2 ASN 35 2HD2 ASN 35 10.939 -0.955 -6.782 278 H ALA 36 H ALA 36 5.225 1.314 -4.436 279 HA ALA 36 HA ALA 36 4.246 3.028 -6.473 280 1HB ALA 36 1HB ALA 36 3.159 1.590 -4.208 281 2HB ALA 36 2HB ALA 36 2.414 2.000 -5.753 282 3HB ALA 36 3HB ALA 36 2.399 3.166 -4.431 283 H LYS 37 H LYS 37 3.739 5.178 -6.463 284 HA LYS 37 HA LYS 37 5.161 6.800 -4.515 285 1HB LYS 37 2HB LYS 37 4.206 7.125 -7.265 286 2HB LYS 37 1HB LYS 37 3.937 8.544 -6.261 287 1HG LYS 37 2HG LYS 37 6.019 8.988 -7.108 288 2HG LYS 37 1HG LYS 37 6.439 8.186 -5.592 289 1HD LYS 37 2HD LYS 37 6.122 6.592 -8.109 290 2HD LYS 37 1HD LYS 37 7.623 7.465 -7.790 291 1HE LYS 37 2HE LYS 37 6.368 5.274 -6.161 292 2HE LYS 37 1HE LYS 37 7.931 5.263 -6.976 293 1HZ LYS 37 1HZ LYS 37 8.447 7.220 -5.410 294 2HZ LYS 37 2HZ LYS 37 8.484 5.642 -4.786 295 3HZ LYS 37 3HZ LYS 37 7.150 6.639 -4.491 296 H THR 38 H THR 38 1.889 6.071 -5.508 297 HA THR 38 HA THR 38 0.752 8.063 -3.722 298 HB THR 38 HB THR 38 -1.362 7.492 -4.662 299 HG1 THR 38 1HG THR 38 -1.571 5.385 -4.797 300 1HG2 THR 38 1HG2 THR 38 -0.340 6.978 -7.224 301 2HG2 THR 38 2HG2 THR 38 0.824 8.027 -6.414 302 3HG2 THR 38 3HG2 THR 38 -0.865 8.520 -6.548 303 H VAL 39 H VAL 39 -1.574 6.359 -3.035 304 HA VAL 39 HA VAL 39 -0.311 4.348 -1.341 305 HB VAL 39 HB VAL 39 -0.748 6.650 -0.165 306 1HG1 VAL 39 1HG1 VAL 39 -2.842 6.743 0.995 307 2HG1 VAL 39 2HG1 VAL 39 -3.372 5.243 0.233 308 3HG1 VAL 39 3HG1 VAL 39 -3.150 6.696 -0.743 309 1HG2 VAL 39 1HG2 VAL 39 0.240 5.005 1.083 310 2HG2 VAL 39 2HG2 VAL 39 -1.051 3.852 0.765 311 3HG2 VAL 39 3HG2 VAL 39 -1.311 5.165 1.912 312 H GLU 40 H GLU 40 -3.351 5.675 -2.577 313 HA GLU 40 HA GLU 40 -5.120 3.751 -1.725 314 1HB GLU 40 2HB GLU 40 -4.980 5.571 -4.049 315 2HB GLU 40 1HB GLU 40 -6.080 4.209 -4.211 316 1HG GLU 40 2HG GLU 40 -7.581 5.446 -3.149 317 2HG GLU 40 1HG GLU 40 -6.627 5.193 -1.692 318 H GLY 41 H GLY 41 -2.860 3.583 -4.424 319 1HA GLY 41 2HA GLY 41 -3.825 0.987 -5.260 320 2HA GLY 41 1HA GLY 41 -2.440 1.848 -5.916 321 H VAL 42 H VAL 42 -1.287 2.260 -3.240 322 HA VAL 42 HA VAL 42 0.443 0.086 -3.125 323 HB VAL 42 HB VAL 42 -0.240 1.957 -0.861 324 1HG1 VAL 42 1HG1 VAL 42 0.966 0.142 0.021 325 2HG1 VAL 42 2HG1 VAL 42 2.165 1.413 -0.254 326 3HG1 VAL 42 3HG1 VAL 42 2.027 0.069 -1.391 327 1HG2 VAL 42 1HG2 VAL 42 1.317 3.466 -1.672 328 2HG2 VAL 42 2HG2 VAL 42 0.547 2.909 -3.157 329 3HG2 VAL 42 3HG2 VAL 42 2.113 2.259 -2.677 330 H GLU 43 H GLU 43 -2.316 0.823 -1.000 331 HA GLU 43 HA GLU 43 -2.059 -1.555 0.532 332 1HB GLU 43 2HB GLU 43 -4.604 -0.947 1.009 333 2HB GLU 43 1HB GLU 43 -3.282 -0.028 1.714 334 1HG GLU 43 2HG GLU 43 -3.543 1.728 0.170 335 2HG GLU 43 1HG GLU 43 -4.599 0.764 -0.864 336 H SER 44 H SER 44 -4.395 -0.651 -2.002 337 HA SER 44 HA SER 44 -5.654 -3.159 -2.134 338 1HB SER 44 2HB SER 44 -6.079 -0.700 -3.268 339 2HB SER 44 1HB SER 44 -5.554 -1.654 -4.657 340 HG SER 44 HG SER 44 -7.319 -2.836 -4.533 341 H LEU 45 H LEU 45 -2.649 -2.010 -3.365 342 HA LEU 45 HA LEU 45 -2.208 -3.660 -5.559 343 1HB LEU 45 2HB LEU 45 -0.579 -2.135 -3.674 344 2HB LEU 45 1HB LEU 45 0.250 -3.545 -4.289 345 1HD1 LEU 45 1HD1 LEU 45 1.883 -2.103 -6.412 346 2HD1 LEU 45 2HD1 LEU 45 0.745 -2.860 -7.526 347 3HD1 LEU 45 3HD1 LEU 45 1.199 -3.685 -6.035 348 1HD2 LEU 45 1HD2 LEU 45 -2.248 -1.765 -6.128 349 2HD2 LEU 45 2HD2 LEU 45 -1.408 -2.665 -7.388 350 3HD2 LEU 45 3HD2 LEU 45 -1.192 -0.920 -7.259 351 H LYS 46 H LYS 46 -1.163 -4.276 -2.201 352 HA LYS 46 HA LYS 46 -0.474 -6.980 -2.736 353 1HB LYS 46 2HB LYS 46 0.648 -6.461 -0.865 354 2HB LYS 46 1HB LYS 46 -0.464 -5.174 -0.428 355 1HG LYS 46 2HG LYS 46 -1.210 -8.045 0.004 356 2HG LYS 46 1HG LYS 46 -0.155 -7.203 1.145 357 1HD LYS 46 2HD LYS 46 -1.915 -5.416 1.307 358 2HD LYS 46 1HD LYS 46 -2.976 -6.470 0.376 359 1HE LYS 46 2HE LYS 46 -3.320 -7.877 2.103 360 2HE LYS 46 1HE LYS 46 -1.674 -7.704 2.708 361 1HZ LYS 46 1HZ LYS 46 -3.535 -5.443 2.950 362 2HZ LYS 46 2HZ LYS 46 -2.224 -5.862 3.931 363 3HZ LYS 46 3HZ LYS 46 -3.668 -6.734 4.036 364 H ASN 47 H ASN 47 -3.335 -5.417 -1.361 365 HA ASN 47 HA ASN 47 -4.701 -7.763 -0.627 366 1HB ASN 47 2HB ASN 47 -5.441 -4.930 -1.117 367 2HB ASN 47 1HB ASN 47 -6.752 -6.097 -1.262 368 1HD2 ASN 47 1HD2 ASN 47 -5.408 -4.030 0.797 369 2HD2 ASN 47 2HD2 ASN 47 -5.742 -4.810 2.303 370 H GLU 48 H GLU 48 -4.235 -6.207 -3.694 371 HA GLU 48 HA GLU 48 -6.285 -7.708 -5.053 372 1HB GLU 48 2HB GLU 48 -5.444 -5.432 -5.777 373 2HB GLU 48 1HB GLU 48 -3.962 -6.225 -6.296 374 1HG GLU 48 2HG GLU 48 -6.632 -7.117 -7.307 375 2HG GLU 48 1HG GLU 48 -5.783 -5.754 -8.035 376 H ILE 49 H ILE 49 -2.848 -7.948 -4.482 377 HA ILE 49 HA ILE 49 -2.329 -10.071 -6.300 378 HB ILE 49 HB ILE 49 -0.214 -10.307 -5.265 379 1HG1 ILE 49 2HG1 ILE 49 -0.809 -8.613 -2.899 380 2HG1 ILE 49 1HG1 ILE 49 -1.391 -10.264 -2.862 381 1HG2 ILE 49 1HG2 ILE 49 -0.094 -7.567 -4.561 382 2HG2 ILE 49 2HG2 ILE 49 -1.223 -7.745 -5.903 383 3HG2 ILE 49 3HG2 ILE 49 0.427 -8.349 -6.053 384 1HD1 ILE 49 1HD1 ILE 49 0.722 -11.130 -2.815 385 2HD1 ILE 49 2HD1 ILE 49 0.906 -9.646 -1.875 386 3HD1 ILE 49 3HD1 ILE 49 1.434 -9.698 -3.557 387 H LEU 50 H LEU 50 -3.586 -9.835 -3.095 388 HA LEU 50 HA LEU 50 -3.352 -12.628 -2.475 389 1HB LEU 50 2HB LEU 50 -4.777 -10.315 -1.163 390 2HB LEU 50 1HB LEU 50 -4.802 -11.944 -0.511 391 HG LEU 50 HG LEU 50 -2.126 -10.829 -1.076 392 1HD1 LEU 50 1HD1 LEU 50 -3.887 -9.752 1.112 393 2HD1 LEU 50 2HD1 LEU 50 -3.122 -8.848 -0.196 394 3HD1 LEU 50 3HD1 LEU 50 -2.132 -9.578 1.069 395 1HD2 LEU 50 1HD2 LEU 50 -2.004 -11.793 1.401 396 2HD2 LEU 50 2HD2 LEU 50 -1.906 -12.829 -0.024 397 3HD2 LEU 50 3HD2 LEU 50 -3.433 -12.666 0.846 398 H LYS 51 H LYS 51 -5.766 -10.468 -3.806 399 HA LYS 51 HA LYS 51 -8.014 -12.141 -3.553 400 1HB LYS 51 2HB LYS 51 -7.735 -9.636 -4.390 401 2HB LYS 51 1HB LYS 51 -7.697 -10.411 -5.967 402 1HG LYS 51 2HG LYS 51 -9.889 -10.886 -5.930 403 2HG LYS 51 1HG LYS 51 -9.878 -11.296 -4.214 404 1HD LYS 51 2HD LYS 51 -10.772 -9.318 -3.731 405 2HD LYS 51 1HD LYS 51 -9.383 -8.506 -4.454 406 1HE LYS 51 2HE LYS 51 -10.899 -7.662 -5.874 407 2HE LYS 51 1HE LYS 51 -10.773 -9.234 -6.663 408 1HZ LYS 51 1HZ LYS 51 -12.692 -9.993 -5.488 409 2HZ LYS 51 2HZ LYS 51 -13.078 -8.519 -6.211 410 3HZ LYS 51 3HZ LYS 51 -12.756 -8.584 -4.553 411 H ALA 52 H ALA 52 -5.239 -12.269 -5.572 412 HA ALA 52 HA ALA 52 -6.229 -14.711 -6.809 413 1HB ALA 52 1HB ALA 52 -6.798 -12.996 -8.434 414 2HB ALA 52 2HB ALA 52 -5.489 -14.006 -9.047 415 3HB ALA 52 3HB ALA 52 -5.137 -12.398 -8.410 416 H LEU 53 H LEU 53 -4.534 -14.947 -4.872 417 HA LEU 53 HA LEU 53 -1.785 -14.657 -5.650 418 1HB LEU 53 2HB LEU 53 -3.081 -14.879 -3.256 419 2HB LEU 53 1HB LEU 53 -2.404 -16.487 -3.436 420 HG LEU 53 HG LEU 53 -0.591 -14.170 -3.882 421 1HD1 LEU 53 1HD1 LEU 53 -1.806 -14.930 -1.262 422 2HD1 LEU 53 2HD1 LEU 53 -1.451 -13.330 -1.913 423 3HD1 LEU 53 3HD1 LEU 53 -0.140 -14.356 -1.331 424 1HD2 LEU 53 1HD2 LEU 53 0.125 -16.504 -2.226 425 2HD2 LEU 53 2HD2 LEU 53 1.043 -15.676 -3.483 426 3HD2 LEU 53 3HD2 LEU 53 -0.216 -16.828 -3.925 427 HA PRO 54 HA PRO 54 -1.929 -18.586 -7.873 428 1HB PRO 54 2HB PRO 54 0.478 -18.353 -9.066 429 2HB PRO 54 1HB PRO 54 -0.940 -17.461 -9.628 430 1HG PRO 54 2HG PRO 54 1.323 -16.527 -7.904 431 2HG PRO 54 1HG PRO 54 0.531 -15.697 -9.257 432 1HD PRO 54 2HD PRO 54 -0.034 -15.165 -6.648 433 2HD PRO 54 1HD PRO 54 -1.221 -14.982 -7.954 434 H THR 55 H THR 55 -0.156 -20.368 -8.154 435 HA THR 55 HA THR 55 1.066 -20.789 -5.511 436 HB THR 55 HB THR 55 1.071 -23.258 -6.669 437 HG1 THR 55 1HG THR 55 -0.596 -23.508 -7.966 438 1HG2 THR 55 1HG2 THR 55 0.178 -23.356 -4.603 439 2HG2 THR 55 2HG2 THR 55 -1.325 -23.406 -5.524 440 3HG2 THR 55 3HG2 THR 55 -0.773 -21.887 -4.820 441 H GLU 56 H GLU 56 1.593 -21.385 -8.977 442 HA GLU 56 HA GLU 56 3.487 -21.561 -10.223 443 1HB GLU 56 2HB GLU 56 3.839 -19.333 -8.858 444 2HB GLU 56 1HB GLU 56 5.102 -20.266 -8.066 445 1HG GLU 56 2HG GLU 56 6.471 -20.106 -9.813 446 2HG GLU 56 1HG GLU 56 5.188 -20.471 -10.966 Start of MODEL 16 1 1H MET 1 1HT MET 1 -4.771 19.155 -2.430 2 2H MET 1 2HT MET 1 -4.402 18.478 -0.893 3 3H MET 1 3HT MET 1 -4.188 17.549 -2.317 4 HA MET 1 HA MET 1 -2.421 18.833 -3.035 5 1HB MET 1 2HB MET 1 -3.563 20.718 -1.047 6 2HB MET 1 1HB MET 1 -1.815 20.742 -1.233 7 1HG MET 1 2HG MET 1 -1.910 21.682 -3.274 8 2HG MET 1 1HG MET 1 -3.344 20.783 -3.736 9 1HE MET 1 1HE MET 1 -5.199 23.989 -4.277 10 2HE MET 1 2HE MET 1 -5.254 22.240 -4.518 11 3HE MET 1 3HE MET 1 -3.833 23.162 -5.018 12 H GLU 2 H GLU 2 -0.240 19.187 -1.836 13 HA GLU 2 HA GLU 2 0.174 16.870 -0.197 14 1HB GLU 2 2HB GLU 2 2.051 18.991 -1.236 15 2HB GLU 2 1HB GLU 2 2.578 17.630 -0.258 16 1HG GLU 2 2HG GLU 2 1.035 17.176 -2.776 17 2HG GLU 2 1HG GLU 2 2.766 17.500 -2.829 18 H ALA 3 H ALA 3 1.459 16.981 1.819 19 HA ALA 3 HA ALA 3 1.743 19.316 3.344 20 1HB ALA 3 1HB ALA 3 -0.899 18.750 3.152 21 2HB ALA 3 2HB ALA 3 -0.156 19.584 4.521 22 3HB ALA 3 3HB ALA 3 -0.473 17.844 4.600 23 H VAL 4 H VAL 4 0.424 16.113 4.201 24 HA VAL 4 HA VAL 4 2.994 15.211 5.151 25 HB VAL 4 HB VAL 4 2.072 14.700 7.444 26 1HG1 VAL 4 1HG1 VAL 4 2.402 17.625 6.820 27 2HG1 VAL 4 2HG1 VAL 4 3.737 16.483 6.934 28 3HG1 VAL 4 3HG1 VAL 4 2.745 16.816 8.344 29 1HG2 VAL 4 1HG2 VAL 4 0.205 16.997 7.066 30 2HG2 VAL 4 2HG2 VAL 4 0.152 15.680 8.245 31 3HG2 VAL 4 3HG2 VAL 4 -0.310 15.374 6.569 32 H ASP 5 H ASP 5 0.918 14.399 3.235 33 HA ASP 5 HA ASP 5 -0.518 12.182 4.249 34 1HB ASP 5 2HB ASP 5 -0.858 11.611 1.854 35 2HB ASP 5 1HB ASP 5 -1.252 13.282 2.222 36 H ALA 6 H ALA 6 2.747 12.610 3.219 37 HA ALA 6 HA ALA 6 3.475 10.100 2.333 38 1HB ALA 6 1HB ALA 6 4.873 12.361 3.598 39 2HB ALA 6 2HB ALA 6 5.254 11.460 2.130 40 3HB ALA 6 3HB ALA 6 5.691 10.806 3.706 41 H ASN 7 H ASN 7 2.929 11.205 5.627 42 HA ASN 7 HA ASN 7 4.036 8.966 6.946 43 1HB ASN 7 2HB ASN 7 2.881 11.386 7.715 44 2HB ASN 7 1HB ASN 7 1.802 10.162 8.373 45 1HD2 ASN 7 1HD2 ASN 7 5.246 10.929 8.104 46 2HD2 ASN 7 2HD2 ASN 7 5.677 10.367 9.678 47 H SER 8 H SER 8 0.711 9.762 5.985 48 HA SER 8 HA SER 8 -0.414 7.341 6.939 49 1HB SER 8 2HB SER 8 -2.292 8.041 5.263 50 2HB SER 8 1HB SER 8 -1.988 9.043 6.679 51 HG SER 8 HG SER 8 -0.948 9.492 4.081 52 H LEU 9 H LEU 9 1.057 8.340 3.942 53 HA LEU 9 HA LEU 9 0.173 6.217 2.314 54 1HB LEU 9 2HB LEU 9 1.222 8.378 1.557 55 2HB LEU 9 1HB LEU 9 2.766 7.726 2.065 56 HG LEU 9 HG LEU 9 1.014 6.531 -0.077 57 1HD1 LEU 9 1HD1 LEU 9 3.655 7.728 -0.650 58 2HD1 LEU 9 2HD1 LEU 9 2.297 8.816 -0.370 59 3HD1 LEU 9 3HD1 LEU 9 2.216 7.623 -1.661 60 1HD2 LEU 9 1HD2 LEU 9 3.546 5.689 1.216 61 2HD2 LEU 9 2HD2 LEU 9 3.397 5.460 -0.527 62 3HD2 LEU 9 3HD2 LEU 9 2.227 4.717 0.563 63 H ALA 10 H ALA 10 3.094 6.697 4.261 64 HA ALA 10 HA ALA 10 4.378 4.294 3.561 65 1HB ALA 10 1HB ALA 10 6.027 5.044 4.866 66 2HB ALA 10 2HB ALA 10 4.960 5.267 6.252 67 3HB ALA 10 3HB ALA 10 5.057 6.507 5.005 68 H GLN 11 H GLN 11 1.718 4.881 5.656 69 HA GLN 11 HA GLN 11 2.114 2.538 7.278 70 1HB GLN 11 2HB GLN 11 1.021 4.359 8.343 71 2HB GLN 11 1HB GLN 11 -0.134 4.524 7.025 72 1HG GLN 11 2HG GLN 11 -1.022 2.305 7.597 73 2HG GLN 11 1HG GLN 11 0.043 2.263 8.996 74 1HE2 GLN 11 1HE2 GLN 11 -1.565 2.220 10.511 75 2HE2 GLN 11 2HE2 GLN 11 -2.623 3.553 10.808 76 H ALA 12 H ALA 12 0.005 3.486 4.587 77 HA ALA 12 HA ALA 12 -1.611 1.240 4.459 78 1HB ALA 12 1HB ALA 12 -1.407 3.440 2.971 79 2HB ALA 12 2HB ALA 12 -2.244 1.991 2.406 80 3HB ALA 12 3HB ALA 12 -0.583 2.308 1.894 81 H LYS 13 H LYS 13 1.670 1.734 3.382 82 HA LYS 13 HA LYS 13 1.874 -0.920 2.218 83 1HB LYS 13 2HB LYS 13 4.407 -0.033 2.151 84 2HB LYS 13 1HB LYS 13 3.212 0.390 0.939 85 1HG LYS 13 2HG LYS 13 2.893 2.516 1.793 86 2HG LYS 13 1HG LYS 13 3.614 2.095 3.352 87 1HD LYS 13 2HD LYS 13 5.118 2.211 0.735 88 2HD LYS 13 1HD LYS 13 5.077 3.518 1.919 89 1HE LYS 13 2HE LYS 13 5.793 0.966 3.107 90 2HE LYS 13 1HE LYS 13 6.900 1.440 1.818 91 1HZ LYS 13 1HZ LYS 13 6.138 3.208 4.077 92 2HZ LYS 13 2HZ LYS 13 7.341 3.489 2.921 93 3HZ LYS 13 3HZ LYS 13 7.533 2.251 4.057 94 H GLU 14 H GLU 14 3.469 0.920 4.829 95 HA GLU 14 HA GLU 14 5.000 -1.101 5.932 96 1HB GLU 14 2HB GLU 14 3.637 1.316 7.076 97 2HB GLU 14 1HB GLU 14 4.387 0.161 8.171 98 1HG GLU 14 2HG GLU 14 6.190 0.791 6.033 99 2HG GLU 14 1HG GLU 14 5.610 2.270 6.797 100 H ALA 15 H ALA 15 1.608 -0.354 6.278 101 HA ALA 15 HA ALA 15 1.097 -2.442 8.209 102 1HB ALA 15 1HB ALA 15 -0.203 -0.231 7.873 103 2HB ALA 15 2HB ALA 15 -1.106 -1.700 8.239 104 3HB ALA 15 3HB ALA 15 -1.032 -1.101 6.582 105 H ALA 16 H ALA 16 0.476 -1.937 4.745 106 HA ALA 16 HA ALA 16 -0.853 -4.354 4.244 107 1HB ALA 16 1HB ALA 16 0.101 -3.985 1.864 108 2HB ALA 16 2HB ALA 16 0.708 -2.466 2.519 109 3HB ALA 16 3HB ALA 16 -1.023 -2.799 2.527 110 H ILE 17 H ILE 17 2.494 -3.632 4.743 111 HA ILE 17 HA ILE 17 3.581 -5.964 3.530 112 HB ILE 17 HB ILE 17 4.596 -3.645 4.818 113 1HG1 ILE 17 2HG1 ILE 17 6.535 -5.632 3.836 114 2HG1 ILE 17 1HG1 ILE 17 5.241 -5.239 2.708 115 1HG2 ILE 17 1HG2 ILE 17 4.806 -4.971 6.864 116 2HG2 ILE 17 2HG2 ILE 17 6.383 -4.525 6.209 117 3HG2 ILE 17 3HG2 ILE 17 5.766 -6.163 5.989 118 1HD1 ILE 17 1HD1 ILE 17 6.287 -3.379 2.145 119 2HD1 ILE 17 2HD1 ILE 17 7.594 -3.788 3.257 120 3HD1 ILE 17 3HD1 ILE 17 6.230 -2.819 3.817 121 H LYS 18 H LYS 18 2.506 -5.113 6.768 122 HA LYS 18 HA LYS 18 3.384 -7.350 8.175 123 1HB LYS 18 2HB LYS 18 1.755 -5.112 8.659 124 2HB LYS 18 1HB LYS 18 0.769 -6.510 9.068 125 1HG LYS 18 2HG LYS 18 2.046 -7.067 10.849 126 2HG LYS 18 1HG LYS 18 3.538 -6.500 10.097 127 1HD LYS 18 2HD LYS 18 2.782 -4.168 10.466 128 2HD LYS 18 1HD LYS 18 1.372 -4.795 11.323 129 1HE LYS 18 2HE LYS 18 2.817 -4.347 13.063 130 2HE LYS 18 1HE LYS 18 3.140 -6.053 12.757 131 1HZ LYS 18 1HZ LYS 18 5.117 -5.524 11.615 132 2HZ LYS 18 2HZ LYS 18 5.143 -4.593 13.027 133 3HZ LYS 18 3HZ LYS 18 4.744 -3.875 11.548 134 H GLU 19 H GLU 19 0.685 -6.946 5.998 135 HA GLU 19 HA GLU 19 -0.580 -9.425 6.720 136 1HB GLU 19 2HB GLU 19 -0.986 -7.496 4.435 137 2HB GLU 19 1HB GLU 19 -1.905 -8.986 4.592 138 1HG GLU 19 2HG GLU 19 -2.069 -7.696 7.080 139 2HG GLU 19 1HG GLU 19 -2.321 -6.453 5.856 140 H LEU 20 H LEU 20 1.584 -8.307 4.169 141 HA LEU 20 HA LEU 20 1.525 -10.641 2.609 142 1HB LEU 20 2HB LEU 20 3.010 -8.200 2.674 143 2HB LEU 20 1HB LEU 20 4.123 -9.540 2.469 144 HG LEU 20 HG LEU 20 1.989 -10.041 0.719 145 1HD1 LEU 20 1HD1 LEU 20 1.769 -7.435 1.215 146 2HD1 LEU 20 2HD1 LEU 20 1.423 -8.148 -0.361 147 3HD1 LEU 20 3HD1 LEU 20 2.984 -7.380 -0.062 148 1HD2 LEU 20 1HD2 LEU 20 3.652 -10.365 -0.757 149 2HD2 LEU 20 2HD2 LEU 20 4.672 -10.214 0.673 150 3HD2 LEU 20 3HD2 LEU 20 4.425 -8.825 -0.386 151 H LYS 21 H LYS 21 3.233 -9.789 5.525 152 HA LYS 21 HA LYS 21 4.967 -12.101 5.429 153 1HB LYS 21 2HB LYS 21 5.710 -11.335 7.664 154 2HB LYS 21 1HB LYS 21 5.828 -10.076 6.442 155 1HG LYS 21 2HG LYS 21 3.878 -8.986 7.272 156 2HG LYS 21 1HG LYS 21 3.532 -10.325 8.369 157 1HD LYS 21 2HD LYS 21 6.123 -9.586 9.014 158 2HD LYS 21 1HD LYS 21 5.309 -8.051 8.708 159 1HE LYS 21 2HE LYS 21 3.651 -8.507 10.348 160 2HE LYS 21 1HE LYS 21 4.169 -10.185 10.498 161 1HZ LYS 21 1HZ LYS 21 5.233 -9.342 12.283 162 2HZ LYS 21 2HZ LYS 21 5.324 -7.776 11.653 163 3HZ LYS 21 3HZ LYS 21 6.419 -8.957 11.138 164 H GLN 22 H GLN 22 2.040 -11.071 7.129 165 HA GLN 22 HA GLN 22 1.935 -13.396 8.795 166 1HB GLN 22 2HB GLN 22 -0.052 -12.540 9.654 167 2HB GLN 22 1HB GLN 22 0.815 -11.091 9.171 168 1HG GLN 22 2HG GLN 22 -1.142 -10.550 8.227 169 2HG GLN 22 1HG GLN 22 -0.572 -11.585 6.918 170 1HE2 GLN 22 1HE2 GLN 22 -2.650 -11.391 9.719 171 2HE2 GLN 22 2HE2 GLN 22 -3.661 -12.729 9.305 172 H TYR 23 H TYR 23 0.890 -12.597 5.594 173 HA TYR 23 HA TYR 23 -0.930 -14.821 5.341 174 1HB TYR 23 2HB TYR 23 0.109 -12.689 3.511 175 2HB TYR 23 1HB TYR 23 -0.644 -14.125 2.817 176 HD1 TYR 23 1HD TYR 23 -2.899 -14.735 4.377 177 HD2 TYR 23 2HD TYR 23 -1.307 -10.892 3.499 178 HE1 TYR 23 1HE TYR 23 -5.117 -13.742 4.729 179 HE2 TYR 23 2HE TYR 23 -3.516 -9.888 3.850 180 HH TYR 23 HH TYR 23 -5.951 -10.696 3.729 181 H GLY 24 H GLY 24 2.370 -14.027 4.387 182 1HA GLY 24 2HA GLY 24 4.014 -15.813 4.375 183 2HA GLY 24 1HA GLY 24 2.769 -16.877 3.744 184 H ILE 25 H ILE 25 2.158 -14.191 2.073 185 HA ILE 25 HA ILE 25 3.058 -15.114 -0.369 186 HB ILE 25 HB ILE 25 3.134 -12.181 -0.245 187 1HG1 ILE 25 2HG1 ILE 25 0.627 -13.649 0.608 188 2HG1 ILE 25 1HG1 ILE 25 1.530 -12.470 1.555 189 1HG2 ILE 25 1HG2 ILE 25 2.057 -14.346 -1.919 190 2HG2 ILE 25 2HG2 ILE 25 2.837 -12.833 -2.375 191 3HG2 ILE 25 3HG2 ILE 25 1.130 -12.846 -1.923 192 1HD1 ILE 25 1HD1 ILE 25 -0.145 -11.145 0.788 193 2HD1 ILE 25 2HD1 ILE 25 -0.330 -12.056 -0.712 194 3HD1 ILE 25 3HD1 ILE 25 1.014 -10.934 -0.524 195 H GLY 26 H GLY 26 4.656 -13.788 -1.849 196 1HA GLY 26 2HA GLY 26 7.249 -14.082 -0.613 197 2HA GLY 26 1HA GLY 26 6.928 -13.688 -2.299 198 H ASP 27 H ASP 27 8.958 -12.435 -0.955 199 HA ASP 27 HA ASP 27 8.133 -9.948 0.179 200 1HB ASP 27 2HB ASP 27 10.579 -11.379 -0.143 201 2HB ASP 27 1HB ASP 27 10.805 -9.766 -0.811 202 H TYR 28 H TYR 28 8.632 -11.081 -3.041 203 HA TYR 28 HA TYR 28 9.330 -8.859 -4.494 204 1HB TYR 28 2HB TYR 28 8.389 -11.309 -5.170 205 2HB TYR 28 1HB TYR 28 6.970 -10.333 -5.531 206 HD1 TYR 28 1HD TYR 28 8.644 -7.826 -6.269 207 HD2 TYR 28 2HD TYR 28 8.805 -11.896 -7.486 208 HE1 TYR 28 1HE TYR 28 9.636 -7.138 -8.396 209 HE2 TYR 28 2HE TYR 28 9.803 -11.219 -9.630 210 HH TYR 28 HH TYR 28 11.053 -8.130 -10.181 211 H TYR 29 H TYR 29 6.133 -9.750 -3.351 212 HA TYR 29 HA TYR 29 4.905 -7.363 -4.307 213 1HB TYR 29 2HB TYR 29 3.734 -9.378 -2.390 214 2HB TYR 29 1HB TYR 29 2.866 -8.266 -3.440 215 HD1 TYR 29 1HD TYR 29 2.628 -11.342 -3.369 216 HD2 TYR 29 2HD TYR 29 4.905 -8.676 -5.795 217 HE1 TYR 29 1HE TYR 29 2.689 -13.031 -5.155 218 HE2 TYR 29 2HE TYR 29 4.978 -10.368 -7.578 219 HH TYR 29 HH TYR 29 3.992 -13.615 -7.095 220 H ILE 30 H ILE 30 6.492 -8.153 -1.323 221 HA ILE 30 HA ILE 30 5.161 -6.092 0.185 222 HB ILE 30 HB ILE 30 6.483 -6.620 1.965 223 1HG1 ILE 30 2HG1 ILE 30 8.818 -7.758 1.579 224 2HG1 ILE 30 1HG1 ILE 30 8.676 -7.024 -0.014 225 1HG2 ILE 30 1HG2 ILE 30 5.484 -8.655 1.677 226 2HG2 ILE 30 2HG2 ILE 30 7.183 -9.100 1.794 227 3HG2 ILE 30 3HG2 ILE 30 6.398 -9.026 0.219 228 1HD1 ILE 30 1HD1 ILE 30 8.006 -4.957 1.619 229 2HD1 ILE 30 2HD1 ILE 30 9.611 -5.244 0.941 230 3HD1 ILE 30 3HD1 ILE 30 9.228 -5.801 2.571 231 H LYS 31 H LYS 31 7.940 -6.435 -1.855 232 HA LYS 31 HA LYS 31 8.994 -3.803 -1.349 233 1HB LYS 31 2HB LYS 31 9.726 -6.151 -3.001 234 2HB LYS 31 1HB LYS 31 10.282 -4.584 -3.569 235 1HG LYS 31 2HG LYS 31 11.866 -4.458 -2.007 236 2HG LYS 31 1HG LYS 31 10.763 -4.971 -0.729 237 1HD LYS 31 2HD LYS 31 11.237 -7.235 -2.343 238 2HD LYS 31 1HD LYS 31 12.804 -6.471 -2.070 239 1HE LYS 31 2HE LYS 31 10.843 -7.089 0.131 240 2HE LYS 31 1HE LYS 31 12.133 -8.186 -0.361 241 1HZ LYS 31 1HZ LYS 31 13.179 -7.066 1.295 242 2HZ LYS 31 2HZ LYS 31 12.301 -5.639 1.065 243 3HZ LYS 31 3HZ LYS 31 13.567 -6.031 0.014 244 H LEU 32 H LEU 32 7.381 -5.454 -4.066 245 HA LEU 32 HA LEU 32 7.332 -3.360 -5.852 246 1HB LEU 32 2HB LEU 32 6.119 -4.762 -7.124 247 2HB LEU 32 1HB LEU 32 6.364 -5.902 -5.825 248 HG LEU 32 HG LEU 32 4.089 -6.024 -6.329 249 1HD1 LEU 32 1HD1 LEU 32 5.028 -5.082 -3.890 250 2HD1 LEU 32 2HD1 LEU 32 3.525 -5.968 -4.195 251 3HD1 LEU 32 3HD1 LEU 32 3.527 -4.202 -4.194 252 1HD2 LEU 32 1HD2 LEU 32 4.325 -3.559 -7.409 253 2HD2 LEU 32 2HD2 LEU 32 3.446 -3.178 -5.928 254 3HD2 LEU 32 3HD2 LEU 32 2.780 -4.342 -7.075 255 H ILE 33 H ILE 33 5.709 -3.634 -2.873 256 HA ILE 33 HA ILE 33 3.583 -1.775 -3.386 257 HB ILE 33 HB ILE 33 4.671 -3.193 -0.987 258 1HG1 ILE 33 2HG1 ILE 33 2.018 -2.971 -2.387 259 2HG1 ILE 33 1HG1 ILE 33 3.037 -4.391 -2.190 260 1HG2 ILE 33 1HG2 ILE 33 2.460 -1.564 -0.176 261 2HG2 ILE 33 2HG2 ILE 33 3.758 -0.538 -0.773 262 3HG2 ILE 33 3HG2 ILE 33 4.071 -1.686 0.525 263 1HD1 ILE 33 1HD1 ILE 33 2.323 -3.466 0.393 264 2HD1 ILE 33 2HD1 ILE 33 1.873 -4.968 -0.408 265 3HD1 ILE 33 3HD1 ILE 33 0.866 -3.533 -0.599 266 H ASN 34 H ASN 34 6.548 -1.650 -1.412 267 HA ASN 34 HA ASN 34 6.467 1.019 -0.706 268 1HB ASN 34 2HB ASN 34 8.057 -0.630 0.212 269 2HB ASN 34 1HB ASN 34 8.935 -0.616 -1.314 270 1HD2 ASN 34 1HD2 ASN 34 10.776 0.403 -1.024 271 2HD2 ASN 34 2HD2 ASN 34 10.990 1.901 -0.191 272 H ASN 35 H ASN 35 7.183 -0.362 -3.794 273 HA ASN 35 HA ASN 35 8.655 1.836 -4.847 274 1HB ASN 35 2HB ASN 35 7.692 -0.733 -5.784 275 2HB ASN 35 1HB ASN 35 7.476 0.514 -7.007 276 1HD2 ASN 35 1HD2 ASN 35 9.087 0.541 -8.378 277 2HD2 ASN 35 2HD2 ASN 35 10.755 0.293 -8.004 278 H ALA 36 H ALA 36 5.288 1.263 -4.352 279 HA ALA 36 HA ALA 36 4.191 2.816 -6.407 280 1HB ALA 36 1HB ALA 36 2.424 1.851 -5.469 281 2HB ALA 36 2HB ALA 36 2.459 3.168 -4.297 282 3HB ALA 36 3HB ALA 36 3.256 1.637 -3.930 283 H LYS 37 H LYS 37 3.492 4.943 -6.512 284 HA LYS 37 HA LYS 37 5.082 6.805 -4.936 285 1HB LYS 37 2HB LYS 37 3.790 6.812 -7.567 286 2HB LYS 37 1HB LYS 37 3.587 8.318 -6.685 287 1HG LYS 37 2HG LYS 37 5.583 8.897 -7.473 288 2HG LYS 37 1HG LYS 37 6.261 7.719 -6.346 289 1HD LYS 37 2HD LYS 37 5.452 7.166 -9.202 290 2HD LYS 37 1HD LYS 37 7.108 7.375 -8.615 291 1HE LYS 37 2HE LYS 37 6.827 5.413 -7.171 292 2HE LYS 37 1HE LYS 37 5.181 5.219 -7.762 293 1HZ LYS 37 1HZ LYS 37 7.254 5.331 -9.792 294 2HZ LYS 37 2HZ LYS 37 5.888 4.346 -9.697 295 3HZ LYS 37 3HZ LYS 37 7.272 3.961 -8.804 296 H THR 38 H THR 38 1.717 5.986 -5.559 297 HA THR 38 HA THR 38 0.811 8.013 -3.654 298 HB THR 38 HB THR 38 -1.390 7.638 -4.488 299 HG1 THR 38 1HG THR 38 -1.854 5.901 -5.874 300 1HG2 THR 38 1HG2 THR 38 -1.210 7.865 -6.911 301 2HG2 THR 38 2HG2 THR 38 0.489 7.396 -6.825 302 3HG2 THR 38 3HG2 THR 38 -0.055 8.890 -6.068 303 H VAL 39 H VAL 39 -1.564 6.527 -2.845 304 HA VAL 39 HA VAL 39 -0.334 4.346 -1.325 305 HB VAL 39 HB VAL 39 -0.729 6.590 -0.036 306 1HG1 VAL 39 1HG1 VAL 39 -3.129 6.711 -0.638 307 2HG1 VAL 39 2HG1 VAL 39 -2.826 6.698 1.101 308 3HG1 VAL 39 3HG1 VAL 39 -3.388 5.235 0.292 309 1HG2 VAL 39 1HG2 VAL 39 0.208 4.808 1.099 310 2HG2 VAL 39 2HG2 VAL 39 -1.183 3.769 0.802 311 3HG2 VAL 39 3HG2 VAL 39 -1.298 5.076 1.980 312 H GLU 40 H GLU 40 -3.350 5.752 -2.517 313 HA GLU 40 HA GLU 40 -5.150 3.820 -1.741 314 1HB GLU 40 2HB GLU 40 -5.610 5.958 -3.042 315 2HB GLU 40 1HB GLU 40 -5.166 5.063 -4.487 316 1HG GLU 40 2HG GLU 40 -7.403 4.743 -4.556 317 2HG GLU 40 1HG GLU 40 -6.970 3.371 -3.533 318 H GLY 41 H GLY 41 -2.738 3.663 -4.262 319 1HA GLY 41 2HA GLY 41 -3.747 1.120 -5.257 320 2HA GLY 41 1HA GLY 41 -2.340 1.991 -5.854 321 H VAL 42 H VAL 42 -1.258 2.329 -3.139 322 HA VAL 42 HA VAL 42 0.456 0.138 -3.031 323 HB VAL 42 HB VAL 42 -0.278 1.965 -0.747 324 1HG1 VAL 42 1HG1 VAL 42 2.098 1.378 -0.075 325 2HG1 VAL 42 2HG1 VAL 42 1.982 0.058 -1.242 326 3HG1 VAL 42 3HG1 VAL 42 0.874 0.121 0.138 327 1HG2 VAL 42 1HG2 VAL 42 1.347 3.458 -1.461 328 2HG2 VAL 42 2HG2 VAL 42 0.585 2.975 -2.976 329 3HG2 VAL 42 3HG2 VAL 42 2.127 2.268 -2.495 330 H GLU 43 H GLU 43 -2.397 0.841 -1.030 331 HA GLU 43 HA GLU 43 -2.204 -1.572 0.475 332 1HB GLU 43 2HB GLU 43 -4.750 -0.945 0.887 333 2HB GLU 43 1HB GLU 43 -3.445 -0.046 1.648 334 1HG GLU 43 2HG GLU 43 -3.643 1.732 0.114 335 2HG GLU 43 1HG GLU 43 -4.689 0.792 -0.953 336 H SER 44 H SER 44 -4.385 -0.557 -2.145 337 HA SER 44 HA SER 44 -5.715 -3.019 -2.400 338 1HB SER 44 2HB SER 44 -6.817 -2.039 -4.158 339 2HB SER 44 1HB SER 44 -6.142 -0.582 -3.424 340 HG SER 44 HG SER 44 -5.438 -0.354 -5.423 341 H LEU 45 H LEU 45 -2.613 -1.941 -3.415 342 HA LEU 45 HA LEU 45 -2.100 -3.592 -5.607 343 1HB LEU 45 2HB LEU 45 -0.535 -2.070 -3.652 344 2HB LEU 45 1HB LEU 45 0.315 -3.455 -4.296 345 1HD1 LEU 45 1HD1 LEU 45 1.975 -1.953 -6.310 346 2HD1 LEU 45 2HD1 LEU 45 0.874 -2.632 -7.509 347 3HD1 LEU 45 3HD1 LEU 45 1.267 -3.549 -6.054 348 1HD2 LEU 45 1HD2 LEU 45 -2.176 -1.668 -6.127 349 2HD2 LEU 45 2HD2 LEU 45 -1.296 -2.515 -7.397 350 3HD2 LEU 45 3HD2 LEU 45 -1.118 -0.770 -7.214 351 H LYS 46 H LYS 46 -1.167 -4.183 -2.209 352 HA LYS 46 HA LYS 46 -0.464 -6.893 -2.731 353 1HB LYS 46 2HB LYS 46 0.672 -6.404 -0.874 354 2HB LYS 46 1HB LYS 46 -0.377 -5.058 -0.469 355 1HG LYS 46 2HG LYS 46 -1.258 -7.870 0.061 356 2HG LYS 46 1HG LYS 46 -0.133 -7.059 1.158 357 1HD LYS 46 2HD LYS 46 -1.685 -5.362 1.673 358 2HD LYS 46 1HD LYS 46 -2.734 -5.800 0.327 359 1HE LYS 46 2HE LYS 46 -3.707 -7.498 1.460 360 2HE LYS 46 1HE LYS 46 -2.226 -7.912 2.323 361 1HZ LYS 46 1HZ LYS 46 -4.146 -6.919 3.648 362 2HZ LYS 46 2HZ LYS 46 -3.718 -5.441 2.946 363 3HZ LYS 46 3HZ LYS 46 -2.604 -6.273 3.907 364 H ASN 47 H ASN 47 -3.329 -5.309 -1.398 365 HA ASN 47 HA ASN 47 -4.671 -7.677 -0.628 366 1HB ASN 47 2HB ASN 47 -5.495 -4.857 -1.176 367 2HB ASN 47 1HB ASN 47 -6.755 -6.085 -1.131 368 1HD2 ASN 47 1HD2 ASN 47 -5.547 -3.798 0.666 369 2HD2 ASN 47 2HD2 ASN 47 -5.631 -4.503 2.241 370 H GLU 48 H GLU 48 -4.145 -6.156 -3.681 371 HA GLU 48 HA GLU 48 -6.227 -7.610 -5.059 372 1HB GLU 48 2HB GLU 48 -4.030 -5.746 -5.883 373 2HB GLU 48 1HB GLU 48 -4.785 -6.768 -7.098 374 1HG GLU 48 2HG GLU 48 -6.915 -5.791 -6.722 375 2HG GLU 48 1HG GLU 48 -6.338 -4.940 -5.288 376 H ILE 49 H ILE 49 -2.784 -7.865 -4.497 377 HA ILE 49 HA ILE 49 -2.264 -10.010 -6.276 378 HB ILE 49 HB ILE 49 -0.169 -10.269 -5.191 379 1HG1 ILE 49 2HG1 ILE 49 -0.788 -8.512 -2.880 380 2HG1 ILE 49 1HG1 ILE 49 -1.396 -10.151 -2.816 381 1HG2 ILE 49 1HG2 ILE 49 -1.138 -7.702 -5.895 382 2HG2 ILE 49 2HG2 ILE 49 0.503 -8.336 -6.021 383 3HG2 ILE 49 3HG2 ILE 49 -0.015 -7.518 -4.548 384 1HD1 ILE 49 1HD1 ILE 49 0.893 -9.528 -1.798 385 2HD1 ILE 49 2HD1 ILE 49 1.452 -9.663 -3.465 386 3HD1 ILE 49 3HD1 ILE 49 0.694 -11.046 -2.675 387 H LEU 50 H LEU 50 -3.584 -9.753 -3.102 388 HA LEU 50 HA LEU 50 -3.385 -12.559 -2.489 389 1HB LEU 50 2HB LEU 50 -4.752 -10.230 -1.140 390 2HB LEU 50 1HB LEU 50 -4.781 -11.864 -0.499 391 HG LEU 50 HG LEU 50 -2.107 -10.765 -1.101 392 1HD1 LEU 50 1HD1 LEU 50 -2.035 -9.492 0.993 393 2HD1 LEU 50 2HD1 LEU 50 -3.773 -9.729 1.181 394 3HD1 LEU 50 3HD1 LEU 50 -3.151 -8.797 -0.183 395 1HD2 LEU 50 1HD2 LEU 50 -3.391 -12.599 0.844 396 2HD2 LEU 50 2HD2 LEU 50 -1.926 -11.759 1.349 397 3HD2 LEU 50 3HD2 LEU 50 -1.901 -12.789 -0.084 398 H LYS 51 H LYS 51 -5.751 -10.327 -3.782 399 HA LYS 51 HA LYS 51 -8.068 -11.860 -3.499 400 1HB LYS 51 2HB LYS 51 -7.298 -9.497 -4.871 401 2HB LYS 51 1HB LYS 51 -8.086 -10.539 -6.048 402 1HG LYS 51 2HG LYS 51 -9.686 -10.645 -3.754 403 2HG LYS 51 1HG LYS 51 -9.237 -8.951 -3.953 404 1HD LYS 51 2HD LYS 51 -10.435 -8.722 -5.854 405 2HD LYS 51 1HD LYS 51 -10.043 -10.348 -6.418 406 1HE LYS 51 2HE LYS 51 -11.613 -11.105 -4.487 407 2HE LYS 51 1HE LYS 51 -12.223 -9.453 -4.576 408 1HZ LYS 51 1HZ LYS 51 -13.171 -11.455 -6.042 409 2HZ LYS 51 2HZ LYS 51 -11.996 -10.861 -7.105 410 3HZ LYS 51 3HZ LYS 51 -13.217 -9.838 -6.537 411 H ALA 52 H ALA 52 -5.314 -12.226 -5.542 412 HA ALA 52 HA ALA 52 -6.500 -14.644 -6.692 413 1HB ALA 52 1HB ALA 52 -6.691 -13.018 -8.443 414 2HB ALA 52 2HB ALA 52 -5.379 -14.122 -8.858 415 3HB ALA 52 3HB ALA 52 -5.015 -12.516 -8.224 416 H LEU 53 H LEU 53 -4.873 -14.635 -4.487 417 HA LEU 53 HA LEU 53 -2.117 -14.914 -5.076 418 1HB LEU 53 2HB LEU 53 -2.900 -14.451 -2.826 419 2HB LEU 53 1HB LEU 53 -3.761 -15.977 -2.781 420 HG LEU 53 HG LEU 53 -1.226 -16.832 -3.289 421 1HD1 LEU 53 1HD1 LEU 53 -1.062 -14.174 -2.022 422 2HD1 LEU 53 2HD1 LEU 53 0.110 -15.033 -3.020 423 3HD1 LEU 53 3HD1 LEU 53 -0.063 -15.443 -1.314 424 1HD2 LEU 53 1HD2 LEU 53 -2.943 -17.520 -1.534 425 2HD2 LEU 53 2HD2 LEU 53 -2.189 -16.312 -0.494 426 3HD2 LEU 53 3HD2 LEU 53 -1.241 -17.670 -1.099 427 HA PRO 54 HA PRO 54 -2.546 -18.843 -7.265 428 1HB PRO 54 2HB PRO 54 0.413 -18.731 -7.039 429 2HB PRO 54 1HB PRO 54 -0.599 -18.970 -8.467 430 1HG PRO 54 2HG PRO 54 0.642 -16.649 -8.046 431 2HG PRO 54 1HG PRO 54 -0.993 -16.701 -8.731 432 1HD PRO 54 2HD PRO 54 -0.122 -16.041 -5.947 433 2HD PRO 54 1HD PRO 54 -1.407 -15.310 -6.931 434 H THR 55 H THR 55 -0.656 -20.835 -6.940 435 HA THR 55 HA THR 55 -1.091 -21.585 -4.131 436 HB THR 55 HB THR 55 -0.244 -23.804 -5.736 437 HG1 THR 55 1HG THR 55 -1.344 -23.586 -7.494 438 1HG2 THR 55 1HG2 THR 55 -2.914 -24.181 -5.271 439 2HG2 THR 55 2HG2 THR 55 -2.430 -23.117 -3.951 440 3HG2 THR 55 3HG2 THR 55 -1.599 -24.653 -4.196 441 H GLU 56 H GLU 56 1.288 -22.264 -6.706 442 HA GLU 56 HA GLU 56 3.369 -22.455 -4.658 443 1HB GLU 56 2HB GLU 56 2.842 -23.878 -7.038 444 2HB GLU 56 1HB GLU 56 4.325 -22.978 -7.323 445 1HG GLU 56 2HG GLU 56 5.397 -23.996 -5.463 446 2HG GLU 56 1HG GLU 56 3.885 -24.716 -4.911 Start of MODEL 17 1 1H MET 1 1HT MET 1 5.345 21.965 9.111 2 2H MET 1 2HT MET 1 5.343 22.879 7.658 3 3H MET 1 3HT MET 1 5.275 21.159 7.593 4 HA MET 1 HA MET 1 3.145 21.085 8.404 5 1HB MET 1 2HB MET 1 3.975 23.590 9.605 6 2HB MET 1 1HB MET 1 2.392 23.753 8.856 7 1HG MET 1 2HG MET 1 1.775 23.067 10.936 8 2HG MET 1 1HG MET 1 1.917 21.506 10.130 9 1HE MET 1 1HE MET 1 3.217 20.499 13.600 10 2HE MET 1 2HE MET 1 1.921 20.408 12.403 11 3HE MET 1 3HE MET 1 2.065 21.819 13.450 12 H GLU 2 H GLU 2 2.845 20.611 6.216 13 HA GLU 2 HA GLU 2 1.195 22.351 4.771 14 1HB GLU 2 2HB GLU 2 3.668 23.300 4.537 15 2HB GLU 2 1HB GLU 2 3.745 22.078 3.271 16 1HG GLU 2 2HG GLU 2 2.770 23.503 1.893 17 2HG GLU 2 1HG GLU 2 1.325 23.449 2.898 18 H ALA 3 H ALA 3 3.536 19.719 4.585 19 HA ALA 3 HA ALA 3 1.565 18.026 3.325 20 1HB ALA 3 1HB ALA 3 2.833 19.377 1.502 21 2HB ALA 3 2HB ALA 3 2.592 17.641 1.290 22 3HB ALA 3 3HB ALA 3 4.153 18.258 1.841 23 H VAL 4 H VAL 4 1.721 16.111 4.262 24 HA VAL 4 HA VAL 4 4.295 14.882 4.750 25 HB VAL 4 HB VAL 4 3.673 14.377 7.159 26 1HG1 VAL 4 1HG1 VAL 4 4.881 16.200 7.948 27 2HG1 VAL 4 2HG1 VAL 4 4.163 17.309 6.781 28 3HG1 VAL 4 3HG1 VAL 4 5.357 16.124 6.251 29 1HG2 VAL 4 1HG2 VAL 4 1.331 15.074 7.016 30 2HG2 VAL 4 2HG2 VAL 4 1.842 16.737 6.741 31 3HG2 VAL 4 3HG2 VAL 4 2.191 15.951 8.283 32 H ASP 5 H ASP 5 1.899 14.364 3.148 33 HA ASP 5 HA ASP 5 0.276 12.364 4.231 34 1HB ASP 5 2HB ASP 5 -0.228 11.752 1.902 35 2HB ASP 5 1HB ASP 5 -0.254 13.498 2.128 36 H ALA 6 H ALA 6 3.566 12.259 3.235 37 HA ALA 6 HA ALA 6 3.928 9.640 2.441 38 1HB ALA 6 1HB ALA 6 5.892 10.743 2.233 39 2HB ALA 6 2HB ALA 6 6.204 10.045 3.823 40 3HB ALA 6 3HB ALA 6 5.632 11.709 3.685 41 H ASN 7 H ASN 7 3.495 10.924 5.690 42 HA ASN 7 HA ASN 7 4.250 8.604 7.107 43 1HB ASN 7 2HB ASN 7 3.284 11.192 7.741 44 2HB ASN 7 1HB ASN 7 2.184 10.039 8.503 45 1HD2 ASN 7 1HD2 ASN 7 5.675 9.932 7.887 46 2HD2 ASN 7 2HD2 ASN 7 6.134 9.711 9.537 47 H SER 8 H SER 8 1.081 9.782 6.017 48 HA SER 8 HA SER 8 -0.330 7.498 6.989 49 1HB SER 8 2HB SER 8 -1.327 9.795 6.543 50 2HB SER 8 1HB SER 8 -1.261 9.395 4.826 51 HG SER 8 HG SER 8 -3.226 8.710 5.385 52 H LEU 9 H LEU 9 1.223 8.397 4.001 53 HA LEU 9 HA LEU 9 0.126 6.349 2.370 54 1HB LEU 9 2HB LEU 9 1.241 8.453 1.575 55 2HB LEU 9 1HB LEU 9 2.777 7.764 2.060 56 HG LEU 9 HG LEU 9 0.965 6.516 -0.001 57 1HD1 LEU 9 1HD1 LEU 9 3.360 8.284 -0.371 58 2HD1 LEU 9 2HD1 LEU 9 1.693 8.682 -0.783 59 3HD1 LEU 9 3HD1 LEU 9 2.538 7.403 -1.655 60 1HD2 LEU 9 1HD2 LEU 9 3.465 5.647 -0.520 61 2HD2 LEU 9 2HD2 LEU 9 2.300 4.774 0.476 62 3HD2 LEU 9 3HD2 LEU 9 3.525 5.789 1.237 63 H ALA 10 H ALA 10 3.129 6.672 4.222 64 HA ALA 10 HA ALA 10 4.289 4.223 3.478 65 1HB ALA 10 1HB ALA 10 5.923 4.661 5.061 66 2HB ALA 10 2HB ALA 10 4.800 5.494 6.136 67 3HB ALA 10 3HB ALA 10 5.333 6.271 4.646 68 H GLN 11 H GLN 11 1.699 4.893 5.632 69 HA GLN 11 HA GLN 11 2.037 2.531 7.239 70 1HB GLN 11 2HB GLN 11 1.000 4.380 8.315 71 2HB GLN 11 1HB GLN 11 -0.160 4.576 7.006 72 1HG GLN 11 2HG GLN 11 -1.102 2.383 7.581 73 2HG GLN 11 1HG GLN 11 -0.024 2.305 8.967 74 1HE2 GLN 11 1HE2 GLN 11 -1.409 2.434 10.621 75 2HE2 GLN 11 2HE2 GLN 11 -2.514 3.742 10.896 76 H ALA 12 H ALA 12 -0.007 3.536 4.532 77 HA ALA 12 HA ALA 12 -1.722 1.365 4.416 78 1HB ALA 12 1HB ALA 12 -2.317 2.141 2.371 79 2HB ALA 12 2HB ALA 12 -0.644 2.335 1.841 80 3HB ALA 12 3HB ALA 12 -1.381 3.539 2.901 81 H LYS 13 H LYS 13 1.589 1.704 3.326 82 HA LYS 13 HA LYS 13 1.657 -0.995 2.248 83 1HB LYS 13 2HB LYS 13 4.211 -0.287 2.085 84 2HB LYS 13 1HB LYS 13 3.019 0.245 0.918 85 1HG LYS 13 2HG LYS 13 2.967 2.389 1.719 86 2HG LYS 13 1HG LYS 13 3.585 1.916 3.308 87 1HD LYS 13 2HD LYS 13 5.756 1.945 2.613 88 2HD LYS 13 1HD LYS 13 5.345 1.411 0.982 89 1HE LYS 13 2HE LYS 13 5.306 3.499 0.215 90 2HE LYS 13 1HE LYS 13 4.281 4.040 1.541 91 1HZ LYS 13 1HZ LYS 13 6.032 4.802 2.699 92 2HZ LYS 13 2HZ LYS 13 6.792 4.847 1.189 93 3HZ LYS 13 3HZ LYS 13 7.054 3.538 2.228 94 H GLU 14 H GLU 14 3.316 0.846 4.823 95 HA GLU 14 HA GLU 14 4.779 -1.202 5.962 96 1HB GLU 14 2HB GLU 14 3.523 1.296 7.021 97 2HB GLU 14 1HB GLU 14 4.120 0.120 8.185 98 1HG GLU 14 2HG GLU 14 6.205 0.329 6.414 99 2HG GLU 14 1HG GLU 14 5.579 1.975 6.487 100 H ALA 15 H ALA 15 1.407 -0.371 6.226 101 HA ALA 15 HA ALA 15 0.805 -2.427 8.173 102 1HB ALA 15 1HB ALA 15 -1.394 -1.633 8.139 103 2HB ALA 15 2HB ALA 15 -1.231 -0.982 6.508 104 3HB ALA 15 3HB ALA 15 -0.419 -0.190 7.858 105 H ALA 16 H ALA 16 0.191 -1.895 4.707 106 HA ALA 16 HA ALA 16 -1.167 -4.299 4.196 107 1HB ALA 16 1HB ALA 16 -0.306 -3.915 1.810 108 2HB ALA 16 2HB ALA 16 0.418 -2.438 2.447 109 3HB ALA 16 3HB ALA 16 -1.329 -2.668 2.523 110 H ILE 17 H ILE 17 2.183 -3.601 4.665 111 HA ILE 17 HA ILE 17 3.225 -5.945 3.416 112 HB ILE 17 HB ILE 17 4.280 -3.633 4.820 113 1HG1 ILE 17 2HG1 ILE 17 6.285 -5.039 3.376 114 2HG1 ILE 17 1HG1 ILE 17 4.776 -5.201 2.482 115 1HG2 ILE 17 1HG2 ILE 17 6.349 -4.748 5.658 116 2HG2 ILE 17 2HG2 ILE 17 5.519 -6.294 5.481 117 3HG2 ILE 17 3HG2 ILE 17 4.899 -5.082 6.603 118 1HD1 ILE 17 1HD1 ILE 17 5.236 -3.217 1.611 119 2HD1 ILE 17 2HD1 ILE 17 6.516 -2.914 2.787 120 3HD1 ILE 17 3HD1 ILE 17 4.841 -2.534 3.188 121 H LYS 18 H LYS 18 2.187 -5.062 6.648 122 HA LYS 18 HA LYS 18 3.175 -7.229 8.095 123 1HB LYS 18 2HB LYS 18 1.255 -5.116 8.473 124 2HB LYS 18 1HB LYS 18 0.628 -6.617 9.145 125 1HG LYS 18 2HG LYS 18 2.132 -6.653 10.818 126 2HG LYS 18 1HG LYS 18 3.428 -6.002 9.812 127 1HD LYS 18 2HD LYS 18 2.369 -3.772 9.962 128 2HD LYS 18 1HD LYS 18 1.155 -4.449 11.049 129 1HE LYS 18 2HE LYS 18 2.577 -4.524 12.801 130 2HE LYS 18 1HE LYS 18 3.956 -4.962 11.795 131 1HZ LYS 18 1HZ LYS 18 4.547 -2.863 12.371 132 2HZ LYS 18 2HZ LYS 18 2.955 -2.316 12.527 133 3HZ LYS 18 3HZ LYS 18 3.642 -2.490 10.992 134 H GLU 19 H GLU 19 0.360 -6.939 6.027 135 HA GLU 19 HA GLU 19 -0.765 -9.467 6.756 136 1HB GLU 19 2HB GLU 19 -1.375 -7.305 4.869 137 2HB GLU 19 1HB GLU 19 -1.772 -8.903 4.255 138 1HG GLU 19 2HG GLU 19 -3.682 -8.736 5.359 139 2HG GLU 19 1HG GLU 19 -2.747 -8.922 6.843 140 H LEU 20 H LEU 20 1.341 -8.298 4.172 141 HA LEU 20 HA LEU 20 1.403 -10.678 2.672 142 1HB LEU 20 2HB LEU 20 2.612 -8.147 2.535 143 2HB LEU 20 1HB LEU 20 3.937 -9.297 2.601 144 HG LEU 20 HG LEU 20 2.153 -10.381 0.758 145 1HD1 LEU 20 1HD1 LEU 20 0.905 -8.662 0.064 146 2HD1 LEU 20 2HD1 LEU 20 2.361 -8.160 -0.795 147 3HD1 LEU 20 3HD1 LEU 20 1.981 -7.462 0.781 148 1HD2 LEU 20 1HD2 LEU 20 3.937 -10.317 -0.675 149 2HD2 LEU 20 2HD2 LEU 20 4.747 -10.141 0.880 150 3HD2 LEU 20 3HD2 LEU 20 4.459 -8.724 -0.129 151 H LYS 21 H LYS 21 3.062 -9.638 5.552 152 HA LYS 21 HA LYS 21 4.937 -11.836 5.534 153 1HB LYS 21 2HB LYS 21 5.570 -9.687 6.536 154 2HB LYS 21 1HB LYS 21 4.258 -9.832 7.698 155 1HG LYS 21 2HG LYS 21 5.622 -12.172 8.072 156 2HG LYS 21 1HG LYS 21 6.917 -11.031 7.707 157 1HD LYS 21 2HD LYS 21 6.814 -10.466 9.869 158 2HD LYS 21 1HD LYS 21 5.327 -9.615 9.447 159 1HE LYS 21 2HE LYS 21 5.089 -11.132 11.399 160 2HE LYS 21 1HE LYS 21 3.994 -11.511 10.070 161 1HZ LYS 21 1HZ LYS 21 6.548 -12.897 10.052 162 2HZ LYS 21 2HZ LYS 21 5.001 -13.472 9.682 163 3HZ LYS 21 3HZ LYS 21 5.485 -13.329 11.296 164 H GLN 22 H GLN 22 1.893 -10.981 7.068 165 HA GLN 22 HA GLN 22 1.834 -13.232 8.833 166 1HB GLN 22 2HB GLN 22 0.560 -11.192 9.312 167 2HB GLN 22 1HB GLN 22 -0.404 -11.444 7.863 168 1HG GLN 22 2HG GLN 22 -1.727 -12.950 8.853 169 2HG GLN 22 1HG GLN 22 -0.387 -13.715 9.707 170 1HE2 GLN 22 1HE2 GLN 22 -1.995 -10.545 9.711 171 2HE2 GLN 22 2HE2 GLN 22 -2.161 -10.443 11.427 172 H TYR 23 H TYR 23 0.772 -12.575 5.575 173 HA TYR 23 HA TYR 23 -0.810 -14.959 5.313 174 1HB TYR 23 2HB TYR 23 0.026 -12.716 3.552 175 2HB TYR 23 1HB TYR 23 -0.348 -14.246 2.757 176 HD1 TYR 23 1HD TYR 23 -1.683 -11.219 3.897 177 HD2 TYR 23 2HD TYR 23 -2.617 -15.351 3.535 178 HE1 TYR 23 1HE TYR 23 -4.076 -10.679 3.994 179 HE2 TYR 23 2HE TYR 23 -5.013 -14.824 3.630 180 HH TYR 23 HH TYR 23 -6.213 -11.643 3.339 181 H GLY 24 H GLY 24 2.418 -13.907 4.327 182 1HA GLY 24 2HA GLY 24 4.229 -15.530 4.424 183 2HA GLY 24 1HA GLY 24 3.092 -16.739 3.851 184 H ILE 25 H ILE 25 2.323 -14.097 2.096 185 HA ILE 25 HA ILE 25 3.200 -15.063 -0.334 186 HB ILE 25 HB ILE 25 3.203 -12.123 -0.270 187 1HG1 ILE 25 2HG1 ILE 25 0.760 -13.659 0.645 188 2HG1 ILE 25 1HG1 ILE 25 1.617 -12.406 1.537 189 1HG2 ILE 25 1HG2 ILE 25 2.948 -12.875 -2.385 190 2HG2 ILE 25 2HG2 ILE 25 1.239 -12.825 -1.942 191 3HG2 ILE 25 3HG2 ILE 25 2.122 -14.349 -1.883 192 1HD1 ILE 25 1HD1 ILE 25 1.007 -10.948 -0.554 193 2HD1 ILE 25 2HD1 ILE 25 -0.160 -11.220 0.740 194 3HD1 ILE 25 3HD1 ILE 25 -0.260 -12.157 -0.750 195 H GLY 26 H GLY 26 4.740 -13.757 -1.872 196 1HA GLY 26 2HA GLY 26 7.361 -13.981 -0.701 197 2HA GLY 26 1HA GLY 26 6.991 -13.595 -2.379 198 H ASP 27 H ASP 27 8.984 -12.382 -0.699 199 HA ASP 27 HA ASP 27 8.173 -9.876 0.301 200 1HB ASP 27 2HB ASP 27 10.645 -9.292 -0.029 201 2HB ASP 27 1HB ASP 27 10.293 -10.673 1.007 202 H TYR 28 H TYR 28 8.729 -11.004 -2.917 203 HA TYR 28 HA TYR 28 9.424 -8.758 -4.344 204 1HB TYR 28 2HB TYR 28 8.562 -11.236 -5.048 205 2HB TYR 28 1HB TYR 28 7.140 -10.284 -5.464 206 HD1 TYR 28 1HD TYR 28 9.117 -11.815 -7.330 207 HD2 TYR 28 2HD TYR 28 8.754 -7.746 -6.153 208 HE1 TYR 28 1HE TYR 28 10.181 -11.114 -9.434 209 HE2 TYR 28 2HE TYR 28 9.811 -7.035 -8.240 210 HH TYR 28 HH TYR 28 11.383 -8.035 -9.951 211 H TYR 29 H TYR 29 6.227 -9.724 -3.260 212 HA TYR 29 HA TYR 29 4.960 -7.383 -4.279 213 1HB TYR 29 2HB TYR 29 3.805 -9.400 -2.352 214 2HB TYR 29 1HB TYR 29 2.926 -8.309 -3.417 215 HD1 TYR 29 1HD TYR 29 5.035 -8.714 -5.735 216 HD2 TYR 29 2HD TYR 29 2.701 -11.370 -3.350 217 HE1 TYR 29 1HE TYR 29 5.157 -10.417 -7.504 218 HE2 TYR 29 2HE TYR 29 2.804 -13.066 -5.129 219 HH TYR 29 HH TYR 29 3.471 -12.532 -8.146 220 H ILE 30 H ILE 30 6.503 -8.082 -1.249 221 HA ILE 30 HA ILE 30 5.095 -6.017 0.184 222 HB ILE 30 HB ILE 30 6.365 -6.498 2.005 223 1HG1 ILE 30 2HG1 ILE 30 8.786 -7.441 1.744 224 2HG1 ILE 30 1HG1 ILE 30 8.663 -6.768 0.121 225 1HG2 ILE 30 1HG2 ILE 30 6.434 -8.900 0.282 226 2HG2 ILE 30 2HG2 ILE 30 5.584 -8.606 1.796 227 3HG2 ILE 30 3HG2 ILE 30 7.316 -8.926 1.806 228 1HD1 ILE 30 1HD1 ILE 30 7.762 -4.719 1.687 229 2HD1 ILE 30 2HD1 ILE 30 9.397 -4.881 1.042 230 3HD1 ILE 30 3HD1 ILE 30 9.034 -5.436 2.678 231 H LYS 31 H LYS 31 7.920 -6.352 -1.794 232 HA LYS 31 HA LYS 31 8.922 -3.693 -1.356 233 1HB LYS 31 2HB LYS 31 9.951 -6.081 -2.351 234 2HB LYS 31 1HB LYS 31 9.881 -5.025 -3.752 235 1HG LYS 31 2HG LYS 31 11.726 -3.998 -3.092 236 2HG LYS 31 1HG LYS 31 10.952 -3.545 -1.572 237 1HD LYS 31 2HD LYS 31 12.285 -6.203 -2.088 238 2HD LYS 31 1HD LYS 31 13.059 -4.837 -1.280 239 1HE LYS 31 2HE LYS 31 10.442 -5.908 -0.294 240 2HE LYS 31 1HE LYS 31 11.955 -6.700 0.145 241 1HZ LYS 31 1HZ LYS 31 11.133 -3.916 0.742 242 2HZ LYS 31 2HZ LYS 31 12.719 -4.467 0.942 243 3HZ LYS 31 3HZ LYS 31 11.465 -5.157 1.844 244 H LEU 32 H LEU 32 7.390 -5.418 -4.083 245 HA LEU 32 HA LEU 32 7.313 -3.353 -5.892 246 1HB LEU 32 2HB LEU 32 6.141 -4.794 -7.160 247 2HB LEU 32 1HB LEU 32 6.395 -5.913 -5.844 248 HG LEU 32 HG LEU 32 4.126 -6.083 -6.376 249 1HD1 LEU 32 1HD1 LEU 32 3.548 -6.026 -4.245 250 2HD1 LEU 32 2HD1 LEU 32 3.499 -4.261 -4.261 251 3HD1 LEU 32 3HD1 LEU 32 5.021 -5.099 -3.934 252 1HD2 LEU 32 1HD2 LEU 32 4.326 -3.619 -7.470 253 2HD2 LEU 32 2HD2 LEU 32 3.420 -3.247 -6.002 254 3HD2 LEU 32 3HD2 LEU 32 2.794 -4.431 -7.149 255 H ILE 33 H ILE 33 5.649 -3.631 -2.939 256 HA ILE 33 HA ILE 33 3.482 -1.844 -3.483 257 HB ILE 33 HB ILE 33 4.619 -3.200 -1.079 258 1HG1 ILE 33 2HG1 ILE 33 1.925 -2.994 -2.403 259 2HG1 ILE 33 1HG1 ILE 33 2.965 -4.405 -2.262 260 1HG2 ILE 33 1HG2 ILE 33 2.406 -1.551 -0.273 261 2HG2 ILE 33 2HG2 ILE 33 3.739 -0.556 -0.844 262 3HG2 ILE 33 3HG2 ILE 33 4.003 -1.718 0.450 263 1HD1 ILE 33 1HD1 ILE 33 0.830 -3.662 -0.613 264 2HD1 ILE 33 2HD1 ILE 33 2.293 -3.454 0.349 265 3HD1 ILE 33 3HD1 ILE 33 1.945 -5.010 -0.401 266 H ASN 34 H ASN 34 6.446 -1.574 -1.527 267 HA ASN 34 HA ASN 34 6.284 1.109 -0.886 268 1HB ASN 34 2HB ASN 34 8.027 -0.828 -0.296 269 2HB ASN 34 1HB ASN 34 8.978 0.017 -1.514 270 1HD2 ASN 34 1HD2 ASN 34 10.497 0.891 -0.216 271 2HD2 ASN 34 2HD2 ASN 34 10.168 2.053 1.019 272 H ASN 35 H ASN 35 7.045 -0.328 -3.941 273 HA ASN 35 HA ASN 35 8.493 1.822 -5.075 274 1HB ASN 35 2HB ASN 35 7.091 -0.590 -6.118 275 2HB ASN 35 1HB ASN 35 7.480 0.691 -7.262 276 1HD2 ASN 35 1HD2 ASN 35 9.655 1.224 -7.624 277 2HD2 ASN 35 2HD2 ASN 35 10.928 0.123 -7.237 278 H ALA 36 H ALA 36 5.085 1.230 -4.636 279 HA ALA 36 HA ALA 36 4.015 2.920 -6.574 280 1HB ALA 36 1HB ALA 36 3.071 1.623 -4.162 281 2HB ALA 36 2HB ALA 36 2.235 1.931 -5.682 282 3HB ALA 36 3HB ALA 36 2.290 3.181 -4.438 283 H LYS 37 H LYS 37 3.427 5.058 -6.627 284 HA LYS 37 HA LYS 37 4.986 6.809 -4.921 285 1HB LYS 37 2HB LYS 37 3.682 7.001 -7.562 286 2HB LYS 37 1HB LYS 37 3.660 8.477 -6.607 287 1HG LYS 37 2HG LYS 37 5.579 8.347 -8.136 288 2HG LYS 37 1HG LYS 37 6.063 8.454 -6.442 289 1HD LYS 37 2HD LYS 37 7.411 6.806 -7.639 290 2HD LYS 37 1HD LYS 37 6.430 6.037 -6.393 291 1HE LYS 37 2HE LYS 37 5.509 4.713 -7.912 292 2HE LYS 37 1HE LYS 37 4.941 6.112 -8.822 293 1HZ LYS 37 1HZ LYS 37 6.978 6.168 -10.033 294 2HZ LYS 37 2HZ LYS 37 6.386 4.592 -10.107 295 3HZ LYS 37 3HZ LYS 37 7.668 4.964 -9.068 296 H THR 38 H THR 38 1.643 6.036 -5.620 297 HA THR 38 HA THR 38 0.677 8.065 -3.760 298 HB THR 38 HB THR 38 -1.511 7.573 -4.574 299 HG1 THR 38 1HG THR 38 -0.443 5.324 -5.924 300 1HG2 THR 38 1HG2 THR 38 -0.598 8.839 -6.254 301 2HG2 THR 38 2HG2 THR 38 -1.143 7.407 -7.130 302 3HG2 THR 38 3HG2 THR 38 0.558 7.596 -6.718 303 H VAL 39 H VAL 39 -1.650 6.485 -2.918 304 HA VAL 39 HA VAL 39 -0.346 4.417 -1.308 305 HB VAL 39 HB VAL 39 -0.764 6.702 -0.106 306 1HG1 VAL 39 1HG1 VAL 39 -3.393 5.321 0.331 307 2HG1 VAL 39 2HG1 VAL 39 -3.178 6.744 -0.687 308 3HG1 VAL 39 3HG1 VAL 39 -2.845 6.838 1.045 309 1HG2 VAL 39 1HG2 VAL 39 0.213 5.026 1.119 310 2HG2 VAL 39 2HG2 VAL 39 -1.108 3.902 0.819 311 3HG2 VAL 39 3HG2 VAL 39 -1.322 5.221 1.968 312 H GLU 40 H GLU 40 -3.429 5.745 -2.436 313 HA GLU 40 HA GLU 40 -5.166 3.799 -1.577 314 1HB GLU 40 2HB GLU 40 -5.488 5.956 -3.088 315 2HB GLU 40 1HB GLU 40 -5.461 4.765 -4.381 316 1HG GLU 40 2HG GLU 40 -7.710 4.963 -3.913 317 2HG GLU 40 1HG GLU 40 -7.244 3.537 -2.983 318 H GLY 41 H GLY 41 -2.897 3.647 -4.252 319 1HA GLY 41 2HA GLY 41 -3.899 1.077 -5.147 320 2HA GLY 41 1HA GLY 41 -2.512 1.944 -5.796 321 H VAL 42 H VAL 42 -1.302 2.315 -3.167 322 HA VAL 42 HA VAL 42 0.401 0.126 -3.079 323 HB VAL 42 HB VAL 42 -0.239 1.972 -0.779 324 1HG1 VAL 42 1HG1 VAL 42 0.990 0.186 0.085 325 2HG1 VAL 42 2HG1 VAL 42 2.211 1.418 -0.270 326 3HG1 VAL 42 3HG1 VAL 42 1.983 0.057 -1.372 327 1HG2 VAL 42 1HG2 VAL 42 0.512 2.955 -3.082 328 2HG2 VAL 42 2HG2 VAL 42 2.088 2.318 -2.616 329 3HG2 VAL 42 3HG2 VAL 42 1.284 3.504 -1.594 330 H GLU 43 H GLU 43 -2.370 0.851 -0.972 331 HA GLU 43 HA GLU 43 -2.107 -1.510 0.585 332 1HB GLU 43 2HB GLU 43 -4.688 -0.916 0.980 333 2HB GLU 43 1HB GLU 43 -3.383 -0.036 1.760 334 1HG GLU 43 2HG GLU 43 -3.547 1.751 0.214 335 2HG GLU 43 1HG GLU 43 -4.633 0.833 -0.831 336 H SER 44 H SER 44 -4.495 -0.650 -1.916 337 HA SER 44 HA SER 44 -5.679 -3.182 -2.083 338 1HB SER 44 2HB SER 44 -6.084 -0.702 -3.249 339 2HB SER 44 1HB SER 44 -5.641 -1.728 -4.615 340 HG SER 44 HG SER 44 -7.526 -2.631 -4.482 341 H LEU 45 H LEU 45 -2.695 -1.967 -3.291 342 HA LEU 45 HA LEU 45 -2.194 -3.581 -5.493 343 1HB LEU 45 2HB LEU 45 -0.648 -2.005 -3.605 344 2HB LEU 45 1HB LEU 45 0.234 -3.425 -4.118 345 1HD1 LEU 45 1HD1 LEU 45 0.658 -3.222 -7.244 346 2HD1 LEU 45 2HD1 LEU 45 1.439 -3.466 -5.681 347 3HD1 LEU 45 3HD1 LEU 45 1.792 -2.020 -6.627 348 1HD2 LEU 45 1HD2 LEU 45 -1.103 -0.873 -7.204 349 2HD2 LEU 45 2HD2 LEU 45 -2.199 -1.679 -6.081 350 3HD2 LEU 45 3HD2 LEU 45 -1.352 -2.616 -7.312 351 H LYS 46 H LYS 46 -1.194 -4.216 -2.128 352 HA LYS 46 HA LYS 46 -0.442 -6.902 -2.681 353 1HB LYS 46 2HB LYS 46 0.663 -6.379 -0.804 354 2HB LYS 46 1HB LYS 46 -0.468 -5.107 -0.370 355 1HG LYS 46 2HG LYS 46 -1.181 -7.986 0.057 356 2HG LYS 46 1HG LYS 46 -0.135 -7.135 1.201 357 1HD LYS 46 2HD LYS 46 -1.917 -5.364 1.355 358 2HD LYS 46 1HD LYS 46 -2.966 -6.438 0.435 359 1HE LYS 46 2HE LYS 46 -3.213 -7.906 2.153 360 2HE LYS 46 1HE LYS 46 -1.617 -7.560 2.819 361 1HZ LYS 46 1HZ LYS 46 -3.833 -6.726 3.961 362 2HZ LYS 46 2HZ LYS 46 -3.595 -5.418 2.917 363 3HZ LYS 46 3HZ LYS 46 -2.398 -5.834 4.036 364 H ASN 47 H ASN 47 -3.330 -5.410 -1.278 365 HA ASN 47 HA ASN 47 -4.650 -7.785 -0.573 366 1HB ASN 47 2HB ASN 47 -5.334 -5.443 0.086 367 2HB ASN 47 1HB ASN 47 -5.982 -5.238 -1.540 368 1HD2 ASN 47 1HD2 ASN 47 -6.503 -6.495 1.582 369 2HD2 ASN 47 2HD2 ASN 47 -8.057 -7.194 1.295 370 H GLU 48 H GLU 48 -4.183 -6.219 -3.630 371 HA GLU 48 HA GLU 48 -6.211 -7.735 -5.011 372 1HB GLU 48 2HB GLU 48 -4.120 -5.751 -5.783 373 2HB GLU 48 1HB GLU 48 -4.724 -6.831 -7.031 374 1HG GLU 48 2HG GLU 48 -7.039 -5.971 -5.895 375 2HG GLU 48 1HG GLU 48 -6.007 -4.550 -5.728 376 H ILE 49 H ILE 49 -2.760 -7.907 -4.459 377 HA ILE 49 HA ILE 49 -2.198 -10.018 -6.268 378 HB ILE 49 HB ILE 49 -0.089 -10.231 -5.207 379 1HG1 ILE 49 2HG1 ILE 49 -0.719 -8.528 -2.860 380 2HG1 ILE 49 1HG1 ILE 49 -1.302 -10.179 -2.817 381 1HG2 ILE 49 1HG2 ILE 49 -1.060 -7.768 -6.013 382 2HG2 ILE 49 2HG2 ILE 49 0.632 -8.240 -5.856 383 3HG2 ILE 49 3HG2 ILE 49 -0.186 -7.432 -4.520 384 1HD1 ILE 49 1HD1 ILE 49 0.793 -11.042 -2.684 385 2HD1 ILE 49 2HD1 ILE 49 1.010 -9.508 -1.837 386 3HD1 ILE 49 3HD1 ILE 49 1.524 -9.670 -3.515 387 H LEU 50 H LEU 50 -3.501 -9.830 -3.085 388 HA LEU 50 HA LEU 50 -3.212 -12.620 -2.473 389 1HB LEU 50 2HB LEU 50 -4.692 -10.338 -1.172 390 2HB LEU 50 1HB LEU 50 -4.707 -11.971 -0.528 391 HG LEU 50 HG LEU 50 -2.040 -10.812 -1.057 392 1HD1 LEU 50 1HD1 LEU 50 -3.045 -8.855 -0.167 393 2HD1 LEU 50 2HD1 LEU 50 -2.098 -9.601 1.123 394 3HD1 LEU 50 3HD1 LEU 50 -3.854 -9.775 1.104 395 1HD2 LEU 50 1HD2 LEU 50 -1.799 -12.823 -0.032 396 2HD2 LEU 50 2HD2 LEU 50 -3.337 -12.696 0.825 397 3HD2 LEU 50 3HD2 LEU 50 -1.928 -11.810 1.408 398 H LYS 51 H LYS 51 -5.636 -10.517 -3.862 399 HA LYS 51 HA LYS 51 -7.855 -12.243 -3.637 400 1HB LYS 51 2HB LYS 51 -7.532 -9.716 -4.537 401 2HB LYS 51 1HB LYS 51 -7.634 -10.565 -6.074 402 1HG LYS 51 2HG LYS 51 -9.824 -9.907 -5.593 403 2HG LYS 51 1HG LYS 51 -9.761 -11.621 -5.178 404 1HD LYS 51 2HD LYS 51 -10.494 -11.114 -3.140 405 2HD LYS 51 1HD LYS 51 -9.003 -10.212 -2.861 406 1HE LYS 51 2HE LYS 51 -10.679 -8.650 -2.438 407 2HE LYS 51 1HE LYS 51 -10.178 -8.286 -4.088 408 1HZ LYS 51 1HZ LYS 51 -12.516 -9.976 -3.388 409 2HZ LYS 51 2HZ LYS 51 -12.070 -9.449 -4.929 410 3HZ LYS 51 3HZ LYS 51 -12.605 -8.336 -3.774 411 H ALA 52 H ALA 52 -5.028 -12.324 -5.578 412 HA ALA 52 HA ALA 52 -5.940 -14.776 -6.845 413 1HB ALA 52 1HB ALA 52 -4.901 -12.430 -8.430 414 2HB ALA 52 2HB ALA 52 -6.538 -13.085 -8.477 415 3HB ALA 52 3HB ALA 52 -5.186 -14.047 -9.073 416 H LEU 53 H LEU 53 -4.221 -14.843 -4.844 417 HA LEU 53 HA LEU 53 -1.488 -14.608 -5.754 418 1HB LEU 53 2HB LEU 53 -0.849 -15.217 -3.555 419 2HB LEU 53 1HB LEU 53 -2.220 -14.137 -3.403 420 HG LEU 53 HG LEU 53 -2.884 -17.014 -3.435 421 1HD1 LEU 53 1HD1 LEU 53 -0.697 -16.647 -2.062 422 2HD1 LEU 53 2HD1 LEU 53 -2.019 -17.601 -1.388 423 3HD1 LEU 53 3HD1 LEU 53 -1.793 -15.927 -0.881 424 1HD2 LEU 53 1HD2 LEU 53 -3.773 -14.517 -2.069 425 2HD2 LEU 53 2HD2 LEU 53 -4.177 -16.082 -1.364 426 3HD2 LEU 53 3HD2 LEU 53 -4.709 -15.688 -2.999 427 HA PRO 54 HA PRO 54 -0.802 -18.650 -7.350 428 1HB PRO 54 2HB PRO 54 1.590 -19.310 -6.131 429 2HB PRO 54 1HB PRO 54 1.439 -18.302 -7.574 430 1HG PRO 54 2HG PRO 54 1.783 -17.489 -4.718 431 2HG PRO 54 1HG PRO 54 2.519 -16.800 -6.178 432 1HD PRO 54 2HD PRO 54 0.458 -15.601 -4.954 433 2HD PRO 54 1HD PRO 54 0.610 -15.598 -6.724 434 H THR 55 H THR 55 0.347 -20.860 -6.294 435 HA THR 55 HA THR 55 -1.527 -21.554 -4.156 436 HB THR 55 HB THR 55 -0.478 -23.927 -4.814 437 HG1 THR 55 1HG THR 55 -0.316 -22.475 -7.237 438 1HG2 THR 55 1HG2 THR 55 -2.822 -22.508 -5.563 439 2HG2 THR 55 2HG2 THR 55 -2.570 -24.248 -5.431 440 3HG2 THR 55 3HG2 THR 55 -2.239 -23.422 -6.954 441 H GLU 56 H GLU 56 -0.798 -22.948 -2.400 442 HA GLU 56 HA GLU 56 2.058 -22.683 -1.771 443 1HB GLU 56 2HB GLU 56 -0.111 -21.342 -0.454 444 2HB GLU 56 1HB GLU 56 0.632 -22.474 0.667 445 1HG GLU 56 2HG GLU 56 2.802 -21.262 -0.491 446 2HG GLU 56 1HG GLU 56 1.627 -19.950 -0.388 Start of MODEL 18 1 1H MET 1 1HT MET 1 1.676 20.822 11.157 2 2H MET 1 2HT MET 1 2.154 21.301 9.581 3 3H MET 1 3HT MET 1 0.980 20.067 9.788 4 HA MET 1 HA MET 1 -0.617 21.518 10.507 5 1HB MET 1 2HB MET 1 1.494 22.773 11.736 6 2HB MET 1 1HB MET 1 1.034 23.945 10.514 7 1HG MET 1 2HG MET 1 -1.151 24.143 11.378 8 2HG MET 1 1HG MET 1 -0.943 22.725 12.408 9 1HE MET 1 1HE MET 1 0.414 23.983 15.592 10 2HE MET 1 2HE MET 1 0.356 22.592 14.499 11 3HE MET 1 3HE MET 1 -1.132 23.434 14.947 12 H GLU 2 H GLU 2 0.632 20.759 7.949 13 HA GLU 2 HA GLU 2 -0.701 22.730 6.304 14 1HB GLU 2 2HB GLU 2 2.179 22.702 6.586 15 2HB GLU 2 1HB GLU 2 1.715 22.339 4.928 16 1HG GLU 2 2HG GLU 2 0.758 24.399 4.601 17 2HG GLU 2 1HG GLU 2 0.457 24.651 6.317 18 H ALA 3 H ALA 3 1.620 20.037 5.991 19 HA ALA 3 HA ALA 3 -0.323 18.281 4.861 20 1HB ALA 3 1HB ALA 3 0.607 18.131 2.601 21 2HB ALA 3 2HB ALA 3 1.707 19.462 2.959 22 3HB ALA 3 3HB ALA 3 -0.037 19.735 2.926 23 H VAL 4 H VAL 4 0.300 16.274 5.310 24 HA VAL 4 HA VAL 4 3.072 15.472 5.120 25 HB VAL 4 HB VAL 4 3.121 14.557 7.447 26 1HG1 VAL 4 1HG1 VAL 4 2.871 17.561 7.251 27 2HG1 VAL 4 2HG1 VAL 4 4.306 16.623 6.836 28 3HG1 VAL 4 3HG1 VAL 4 3.730 16.661 8.501 29 1HG2 VAL 4 1HG2 VAL 4 0.482 15.869 7.497 30 2HG2 VAL 4 2HG2 VAL 4 1.489 16.091 8.925 31 3HG2 VAL 4 3HG2 VAL 4 1.078 14.471 8.386 32 H ASP 5 H ASP 5 0.634 14.738 3.800 33 HA ASP 5 HA ASP 5 -0.548 12.400 4.763 34 1HB ASP 5 2HB ASP 5 -1.077 11.952 2.336 35 2HB ASP 5 1HB ASP 5 -1.570 13.536 2.930 36 H ALA 6 H ALA 6 2.588 12.915 3.426 37 HA ALA 6 HA ALA 6 3.229 10.488 2.284 38 1HB ALA 6 1HB ALA 6 5.325 11.604 4.022 39 2HB ALA 6 2HB ALA 6 4.616 12.739 2.874 40 3HB ALA 6 3HB ALA 6 5.348 11.241 2.296 41 H ASN 7 H ASN 7 2.881 11.288 5.680 42 HA ASN 7 HA ASN 7 4.111 8.942 6.703 43 1HB ASN 7 2HB ASN 7 3.182 11.275 7.803 44 2HB ASN 7 1HB ASN 7 1.985 10.115 8.357 45 1HD2 ASN 7 1HD2 ASN 7 2.444 9.530 10.340 46 2HD2 ASN 7 2HD2 ASN 7 4.007 9.138 10.958 47 H SER 8 H SER 8 0.724 9.843 6.111 48 HA SER 8 HA SER 8 -0.408 7.422 6.997 49 1HB SER 8 2HB SER 8 -1.431 9.801 6.173 50 2HB SER 8 1HB SER 8 -1.793 8.797 4.777 51 HG SER 8 HG SER 8 -2.906 8.800 7.268 52 H LEU 9 H LEU 9 1.020 8.412 3.974 53 HA LEU 9 HA LEU 9 0.076 6.337 2.325 54 1HB LEU 9 2HB LEU 9 1.221 8.439 1.581 55 2HB LEU 9 1HB LEU 9 2.731 7.758 2.148 56 HG LEU 9 HG LEU 9 1.040 6.513 -0.012 57 1HD1 LEU 9 1HD1 LEU 9 3.322 8.441 -0.144 58 2HD1 LEU 9 2HD1 LEU 9 1.747 8.536 -0.931 59 3HD1 LEU 9 3HD1 LEU 9 2.936 7.356 -1.481 60 1HD2 LEU 9 1HD2 LEU 9 3.558 5.624 -0.389 61 2HD2 LEU 9 2HD2 LEU 9 2.331 4.758 0.535 62 3HD2 LEU 9 3HD2 LEU 9 3.521 5.758 1.370 63 H ALA 10 H ALA 10 2.992 6.653 4.309 64 HA ALA 10 HA ALA 10 4.186 4.217 3.599 65 1HB ALA 10 1HB ALA 10 5.211 4.591 6.029 66 2HB ALA 10 2HB ALA 10 4.537 6.199 5.763 67 3HB ALA 10 3HB ALA 10 5.711 5.536 4.626 68 H GLN 11 H GLN 11 1.487 4.855 5.624 69 HA GLN 11 HA GLN 11 1.743 2.481 7.220 70 1HB GLN 11 2HB GLN 11 0.638 4.310 8.256 71 2HB GLN 11 1HB GLN 11 -0.445 4.522 6.884 72 1HG GLN 11 2HG GLN 11 -1.417 2.322 7.376 73 2HG GLN 11 1HG GLN 11 -0.417 2.223 8.820 74 1HE2 GLN 11 1HE2 GLN 11 -2.530 4.632 7.277 75 2HE2 GLN 11 2HE2 GLN 11 -3.394 5.040 8.707 76 H ALA 12 H ALA 12 -0.275 3.510 4.481 77 HA ALA 12 HA ALA 12 -1.913 1.306 4.234 78 1HB ALA 12 1HB ALA 12 -0.736 2.322 1.723 79 2HB ALA 12 2HB ALA 12 -1.526 3.510 2.764 80 3HB ALA 12 3HB ALA 12 -2.430 2.111 2.178 81 H LYS 13 H LYS 13 1.424 1.726 3.314 82 HA LYS 13 HA LYS 13 1.622 -0.944 2.182 83 1HB LYS 13 2HB LYS 13 4.178 -0.091 2.227 84 2HB LYS 13 1HB LYS 13 3.049 0.299 0.942 85 1HG LYS 13 2HG LYS 13 2.712 2.454 1.699 86 2HG LYS 13 1HG LYS 13 3.338 2.085 3.312 87 1HD LYS 13 2HD LYS 13 4.963 2.150 0.767 88 2HD LYS 13 1HD LYS 13 4.922 3.428 1.982 89 1HE LYS 13 2HE LYS 13 5.497 1.157 3.445 90 2HE LYS 13 1HE LYS 13 6.402 0.924 1.950 91 1HZ LYS 13 1HZ LYS 13 7.440 3.071 2.269 92 2HZ LYS 13 2HZ LYS 13 7.701 2.096 3.625 93 3HZ LYS 13 3HZ LYS 13 6.547 3.331 3.683 94 H GLU 14 H GLU 14 3.294 0.874 4.780 95 HA GLU 14 HA GLU 14 4.669 -1.159 5.987 96 1HB GLU 14 2HB GLU 14 3.289 1.269 7.102 97 2HB GLU 14 1HB GLU 14 4.063 0.121 8.188 98 1HG GLU 14 2HG GLU 14 5.495 1.413 5.886 99 2HG GLU 14 1HG GLU 14 5.443 2.109 7.505 100 H ALA 15 H ALA 15 1.269 -0.389 6.155 101 HA ALA 15 HA ALA 15 0.644 -2.395 8.132 102 1HB ALA 15 1HB ALA 15 -0.660 -0.246 7.671 103 2HB ALA 15 2HB ALA 15 -1.596 -1.722 7.911 104 3HB ALA 15 3HB ALA 15 -1.337 -1.096 6.282 105 H ALA 16 H ALA 16 0.401 -2.087 4.618 106 HA ALA 16 HA ALA 16 -0.841 -4.615 4.177 107 1HB ALA 16 1HB ALA 16 0.305 -4.136 1.807 108 2HB ALA 16 2HB ALA 16 0.399 -2.511 2.488 109 3HB ALA 16 3HB ALA 16 -1.164 -3.315 2.334 110 H ILE 17 H ILE 17 2.359 -3.510 4.704 111 HA ILE 17 HA ILE 17 3.808 -5.697 3.625 112 HB ILE 17 HB ILE 17 4.488 -3.546 5.631 113 1HG1 ILE 17 2HG1 ILE 17 5.680 -3.903 2.900 114 2HG1 ILE 17 1HG1 ILE 17 4.121 -3.112 3.095 115 1HG2 ILE 17 1HG2 ILE 17 6.019 -5.080 6.317 116 2HG2 ILE 17 2HG2 ILE 17 6.903 -4.338 4.986 117 3HG2 ILE 17 3HG2 ILE 17 6.087 -5.884 4.750 118 1HD1 ILE 17 1HD1 ILE 17 6.084 -2.039 4.917 119 2HD1 ILE 17 2HD1 ILE 17 5.087 -1.217 3.717 120 3HD1 ILE 17 3HD1 ILE 17 6.624 -1.938 3.241 121 H LYS 18 H LYS 18 2.195 -5.032 6.629 122 HA LYS 18 HA LYS 18 3.441 -7.139 8.129 123 1HB LYS 18 2HB LYS 18 1.696 -4.938 8.640 124 2HB LYS 18 1HB LYS 18 0.935 -6.396 9.263 125 1HG LYS 18 2HG LYS 18 2.638 -6.793 10.782 126 2HG LYS 18 1HG LYS 18 3.796 -5.803 9.893 127 1HD LYS 18 2HD LYS 18 3.331 -4.169 11.341 128 2HD LYS 18 1HD LYS 18 1.762 -4.035 10.545 129 1HE LYS 18 2HE LYS 18 0.783 -5.574 12.128 130 2HE LYS 18 1HE LYS 18 2.357 -5.860 12.871 131 1HZ LYS 18 1HZ LYS 18 0.684 -4.169 13.894 132 2HZ LYS 18 2HZ LYS 18 1.340 -3.113 12.751 133 3HZ LYS 18 3HZ LYS 18 2.341 -3.841 13.905 134 H GLU 19 H GLU 19 0.791 -6.886 5.934 135 HA GLU 19 HA GLU 19 -0.444 -9.350 6.834 136 1HB GLU 19 2HB GLU 19 -1.133 -7.172 5.001 137 2HB GLU 19 1HB GLU 19 -1.551 -8.759 4.369 138 1HG GLU 19 2HG GLU 19 -3.469 -8.170 5.484 139 2HG GLU 19 1HG GLU 19 -2.623 -9.125 6.701 140 H LEU 20 H LEU 20 1.577 -8.206 4.190 141 HA LEU 20 HA LEU 20 1.522 -10.567 2.659 142 1HB LEU 20 2HB LEU 20 2.660 -8.080 2.392 143 2HB LEU 20 1HB LEU 20 4.058 -9.122 2.590 144 HG LEU 20 HG LEU 20 2.256 -10.347 0.751 145 1HD1 LEU 20 1HD1 LEU 20 2.542 -8.569 -1.056 146 2HD1 LEU 20 2HD1 LEU 20 2.818 -7.445 0.272 147 3HD1 LEU 20 3HD1 LEU 20 1.287 -8.313 0.154 148 1HD2 LEU 20 1HD2 LEU 20 4.972 -9.123 0.356 149 2HD2 LEU 20 2HD2 LEU 20 4.190 -10.279 -0.715 150 3HD2 LEU 20 3HD2 LEU 20 4.656 -10.761 0.914 151 H LYS 21 H LYS 21 3.369 -9.580 5.454 152 HA LYS 21 HA LYS 21 5.161 -11.844 5.307 153 1HB LYS 21 2HB LYS 21 6.008 -11.026 7.483 154 2HB LYS 21 1HB LYS 21 6.009 -9.773 6.250 155 1HG LYS 21 2HG LYS 21 5.069 -8.531 7.855 156 2HG LYS 21 1HG LYS 21 3.590 -9.361 7.374 157 1HD LYS 21 2HD LYS 21 3.696 -10.847 9.177 158 2HD LYS 21 1HD LYS 21 5.403 -10.510 9.468 159 1HE LYS 21 2HE LYS 21 3.113 -8.600 9.927 160 2HE LYS 21 1HE LYS 21 3.987 -9.485 11.176 161 1HZ LYS 21 1HZ LYS 21 4.910 -7.340 11.121 162 2HZ LYS 21 2HZ LYS 21 5.005 -7.318 9.432 163 3HZ LYS 21 3HZ LYS 21 6.035 -8.322 10.323 164 H GLN 22 H GLN 22 2.223 -10.910 6.972 165 HA GLN 22 HA GLN 22 2.220 -13.150 8.767 166 1HB GLN 22 2HB GLN 22 0.465 -10.870 8.168 167 2HB GLN 22 1HB GLN 22 -0.400 -12.333 8.618 168 1HG GLN 22 2HG GLN 22 0.761 -12.456 10.705 169 2HG GLN 22 1HG GLN 22 1.825 -11.127 10.243 170 1HE2 GLN 22 1HE2 GLN 22 -0.636 -11.841 12.177 171 2HE2 GLN 22 2HE2 GLN 22 -1.453 -10.321 12.241 172 H TYR 23 H TYR 23 1.093 -12.499 5.543 173 HA TYR 23 HA TYR 23 -0.574 -14.850 5.382 174 1HB TYR 23 2HB TYR 23 0.158 -12.601 3.581 175 2HB TYR 23 1HB TYR 23 -0.296 -14.122 2.810 176 HD1 TYR 23 1HD TYR 23 -2.504 -15.209 3.859 177 HD2 TYR 23 2HD TYR 23 -1.513 -11.076 3.956 178 HE1 TYR 23 1HE TYR 23 -4.878 -14.653 4.141 179 HE2 TYR 23 2HE TYR 23 -3.882 -10.507 4.239 180 HH TYR 23 HH TYR 23 -5.942 -11.494 4.979 181 H GLY 24 H GLY 24 2.586 -13.811 4.159 182 1HA GLY 24 2HA GLY 24 4.395 -15.425 4.112 183 2HA GLY 24 1HA GLY 24 3.215 -16.652 3.680 184 H ILE 25 H ILE 25 2.299 -14.057 1.912 185 HA ILE 25 HA ILE 25 2.944 -15.103 -0.553 186 HB ILE 25 HB ILE 25 3.021 -12.188 -0.683 187 1HG1 ILE 25 2HG1 ILE 25 0.682 -13.493 0.733 188 2HG1 ILE 25 1HG1 ILE 25 1.758 -12.267 1.396 189 1HG2 ILE 25 1HG2 ILE 25 0.822 -12.825 -1.985 190 2HG2 ILE 25 2HG2 ILE 25 1.484 -14.453 -1.849 191 3HG2 ILE 25 3HG2 ILE 25 2.416 -13.188 -2.649 192 1HD1 ILE 25 1HD1 ILE 25 0.940 -10.769 -0.487 193 2HD1 ILE 25 2HD1 ILE 25 -0.190 -11.121 0.819 194 3HD1 ILE 25 3HD1 ILE 25 -0.333 -11.963 -0.724 195 H GLY 26 H GLY 26 4.397 -13.949 -2.271 196 1HA GLY 26 2HA GLY 26 7.080 -14.293 -1.410 197 2HA GLY 26 1HA GLY 26 6.563 -13.719 -2.992 198 H ASP 27 H ASP 27 8.744 -12.851 -1.154 199 HA ASP 27 HA ASP 27 8.168 -10.378 0.011 200 1HB ASP 27 2HB ASP 27 10.587 -9.951 -0.105 201 2HB ASP 27 1HB ASP 27 10.256 -11.592 0.440 202 H TYR 28 H TYR 28 8.508 -11.294 -3.279 203 HA TYR 28 HA TYR 28 9.345 -9.034 -4.601 204 1HB TYR 28 2HB TYR 28 8.297 -11.400 -5.391 205 2HB TYR 28 1HB TYR 28 6.915 -10.350 -5.693 206 HD1 TYR 28 1HD TYR 28 8.748 -7.890 -6.306 207 HD2 TYR 28 2HD TYR 28 8.608 -11.882 -7.763 208 HE1 TYR 28 1HE TYR 28 9.744 -7.144 -8.409 209 HE2 TYR 28 2HE TYR 28 9.611 -11.145 -9.884 210 HH TYR 28 HH TYR 28 10.933 -9.336 -10.768 211 H TYR 29 H TYR 29 6.126 -9.777 -3.413 212 HA TYR 29 HA TYR 29 4.929 -7.379 -4.358 213 1HB TYR 29 2HB TYR 29 3.846 -9.240 -2.247 214 2HB TYR 29 1HB TYR 29 2.934 -8.201 -3.339 215 HD1 TYR 29 1HD TYR 29 4.728 -8.799 -5.791 216 HD2 TYR 29 2HD TYR 29 2.762 -11.302 -2.951 217 HE1 TYR 29 1HE TYR 29 4.673 -10.629 -7.437 218 HE2 TYR 29 2HE TYR 29 2.691 -13.128 -4.601 219 HH TYR 29 HH TYR 29 4.355 -13.623 -6.866 220 H ILE 30 H ILE 30 5.751 -8.416 -1.008 221 HA ILE 30 HA ILE 30 4.935 -6.096 0.285 222 HB ILE 30 HB ILE 30 5.764 -8.035 1.507 223 1HG1 ILE 30 2HG1 ILE 30 5.833 -5.728 2.527 224 2HG1 ILE 30 1HG1 ILE 30 6.896 -6.915 3.269 225 1HG2 ILE 30 1HG2 ILE 30 8.152 -8.522 1.638 226 2HG2 ILE 30 2HG2 ILE 30 8.463 -7.263 0.440 227 3HG2 ILE 30 3HG2 ILE 30 7.518 -8.686 0.001 228 1HD1 ILE 30 1HD1 ILE 30 8.452 -5.691 1.324 229 2HD1 ILE 30 2HD1 ILE 30 8.522 -5.432 3.066 230 3HD1 ILE 30 3HD1 ILE 30 7.522 -4.386 2.058 231 H LYS 31 H LYS 31 7.635 -6.712 -1.791 232 HA LYS 31 HA LYS 31 8.965 -4.202 -1.274 233 1HB LYS 31 2HB LYS 31 9.423 -6.424 -3.253 234 2HB LYS 31 1HB LYS 31 10.404 -4.965 -3.209 235 1HG LYS 31 2HG LYS 31 10.078 -6.841 -0.878 236 2HG LYS 31 1HG LYS 31 11.402 -6.926 -2.041 237 1HD LYS 31 2HD LYS 31 12.506 -5.466 -0.773 238 2HD LYS 31 1HD LYS 31 11.309 -4.253 -1.231 239 1HE LYS 31 2HE LYS 31 10.124 -4.488 0.729 240 2HE LYS 31 1HE LYS 31 10.690 -6.136 0.997 241 1HZ LYS 31 1HZ LYS 31 12.944 -5.103 1.383 242 2HZ LYS 31 2HZ LYS 31 11.781 -4.818 2.578 243 3HZ LYS 31 3HZ LYS 31 12.157 -3.607 1.458 244 H LEU 32 H LEU 32 7.238 -5.710 -4.008 245 HA LEU 32 HA LEU 32 7.392 -3.607 -5.781 246 1HB LEU 32 2HB LEU 32 6.161 -4.948 -7.091 247 2HB LEU 32 1HB LEU 32 6.226 -6.083 -5.768 248 HG LEU 32 HG LEU 32 3.985 -5.999 -6.439 249 1HD1 LEU 32 1HD1 LEU 32 3.371 -4.218 -4.322 250 2HD1 LEU 32 2HD1 LEU 32 4.857 -5.089 -3.933 251 3HD1 LEU 32 3HD1 LEU 32 3.383 -5.986 -4.318 252 1HD2 LEU 32 1HD2 LEU 32 4.508 -3.535 -7.436 253 2HD2 LEU 32 2HD2 LEU 32 3.554 -3.122 -6.012 254 3HD2 LEU 32 3HD2 LEU 32 2.886 -4.199 -7.238 255 H ILE 33 H ILE 33 5.710 -3.771 -2.842 256 HA ILE 33 HA ILE 33 3.711 -1.781 -3.381 257 HB ILE 33 HB ILE 33 4.717 -3.157 -0.901 258 1HG1 ILE 33 2HG1 ILE 33 2.118 -3.113 -2.433 259 2HG1 ILE 33 1HG1 ILE 33 3.211 -4.472 -2.197 260 1HG2 ILE 33 1HG2 ILE 33 3.546 -0.552 -0.970 261 2HG2 ILE 33 2HG2 ILE 33 4.057 -1.506 0.419 262 3HG2 ILE 33 3HG2 ILE 33 2.422 -1.676 -0.213 263 1HD1 ILE 33 1HD1 ILE 33 0.935 -3.881 -0.739 264 2HD1 ILE 33 2HD1 ILE 33 2.267 -3.440 0.330 265 3HD1 ILE 33 3HD1 ILE 33 2.172 -5.070 -0.335 266 H ASN 34 H ASN 34 6.644 -1.858 -1.349 267 HA ASN 34 HA ASN 34 6.719 0.798 -0.612 268 1HB ASN 34 2HB ASN 34 8.315 -1.338 -0.157 269 2HB ASN 34 1HB ASN 34 9.343 -0.411 -1.246 270 1HD2 ASN 34 1HD2 ASN 34 9.767 -0.994 1.538 271 2HD2 ASN 34 2HD2 ASN 34 9.860 0.524 2.357 272 H ASN 35 H ASN 35 7.387 -0.572 -3.720 273 HA ASN 35 HA ASN 35 8.975 1.581 -4.716 274 1HB ASN 35 2HB ASN 35 7.682 -0.839 -5.853 275 2HB ASN 35 1HB ASN 35 8.042 0.472 -6.972 276 1HD2 ASN 35 1HD2 ASN 35 10.185 1.059 -7.337 277 2HD2 ASN 35 2HD2 ASN 35 11.500 0.020 -6.915 278 H ALA 36 H ALA 36 5.600 1.103 -4.267 279 HA ALA 36 HA ALA 36 4.471 2.632 -6.278 280 1HB ALA 36 1HB ALA 36 3.435 1.263 -4.279 281 2HB ALA 36 2HB ALA 36 2.534 2.547 -5.088 282 3HB ALA 36 3HB ALA 36 3.334 2.866 -3.549 283 H LYS 37 H LYS 37 3.575 4.793 -6.216 284 HA LYS 37 HA LYS 37 5.346 6.669 -4.813 285 1HB LYS 37 2HB LYS 37 4.877 8.278 -6.563 286 2HB LYS 37 1HB LYS 37 5.413 6.764 -7.290 287 1HG LYS 37 2HG LYS 37 2.493 7.287 -6.975 288 2HG LYS 37 1HG LYS 37 3.386 8.062 -8.282 289 1HD LYS 37 2HD LYS 37 3.458 6.177 -9.467 290 2HD LYS 37 1HD LYS 37 4.031 5.248 -8.081 291 1HE LYS 37 2HE LYS 37 2.009 4.231 -8.522 292 2HE LYS 37 1HE LYS 37 1.555 5.411 -7.294 293 1HZ LYS 37 1HZ LYS 37 0.920 6.917 -9.154 294 2HZ LYS 37 2HZ LYS 37 -0.033 5.526 -9.033 295 3HZ LYS 37 3HZ LYS 37 1.162 5.630 -10.225 296 H THR 38 H THR 38 2.049 5.756 -5.394 297 HA THR 38 HA THR 38 1.077 7.969 -3.727 298 HB THR 38 HB THR 38 -1.095 7.578 -4.647 299 HG1 THR 38 1HG THR 38 -1.424 5.476 -4.809 300 1HG2 THR 38 1HG2 THR 38 0.865 8.439 -6.233 301 2HG2 THR 38 2HG2 THR 38 -0.804 8.257 -6.772 302 3HG2 THR 38 3HG2 THR 38 0.380 7.001 -7.132 303 H VAL 39 H VAL 39 -1.390 6.437 -3.054 304 HA VAL 39 HA VAL 39 -0.247 4.365 -1.338 305 HB VAL 39 HB VAL 39 -0.661 6.677 -0.184 306 1HG1 VAL 39 1HG1 VAL 39 -3.352 5.370 0.097 307 2HG1 VAL 39 2HG1 VAL 39 -3.031 6.808 -0.871 308 3HG1 VAL 39 3HG1 VAL 39 -2.802 6.852 0.879 309 1HG2 VAL 39 1HG2 VAL 39 -1.373 5.221 1.868 310 2HG2 VAL 39 2HG2 VAL 39 0.207 4.997 1.108 311 3HG2 VAL 39 3HG2 VAL 39 -1.115 3.897 0.737 312 H GLU 40 H GLU 40 -3.250 5.793 -2.584 313 HA GLU 40 HA GLU 40 -5.079 3.910 -1.817 314 1HB GLU 40 2HB GLU 40 -5.222 6.055 -3.396 315 2HB GLU 40 1HB GLU 40 -5.241 4.815 -4.641 316 1HG GLU 40 2HG GLU 40 -7.068 3.961 -2.708 317 2HG GLU 40 1HG GLU 40 -7.345 5.690 -2.892 318 H GLY 41 H GLY 41 -2.832 3.697 -4.538 319 1HA GLY 41 2HA GLY 41 -3.846 1.141 -5.393 320 2HA GLY 41 1HA GLY 41 -2.402 1.946 -5.993 321 H VAL 42 H VAL 42 -1.436 2.254 -3.165 322 HA VAL 42 HA VAL 42 0.218 -0.010 -3.066 323 HB VAL 42 HB VAL 42 -0.408 1.871 -0.798 324 1HG1 VAL 42 1HG1 VAL 42 1.732 -0.144 -1.345 325 2HG1 VAL 42 2HG1 VAL 42 0.759 0.084 0.115 326 3HG1 VAL 42 3HG1 VAL 42 2.040 1.235 -0.287 327 1HG2 VAL 42 1HG2 VAL 42 0.266 3.154 -2.723 328 2HG2 VAL 42 2HG2 VAL 42 1.615 2.063 -3.020 329 3HG2 VAL 42 3HG2 VAL 42 1.612 3.086 -1.585 330 H GLU 43 H GLU 43 -2.430 0.916 -0.870 331 HA GLU 43 HA GLU 43 -2.393 -1.456 0.640 332 1HB GLU 43 2HB GLU 43 -4.908 -0.747 1.025 333 2HB GLU 43 1HB GLU 43 -3.590 0.200 1.704 334 1HG GLU 43 2HG GLU 43 -3.799 1.870 0.084 335 2HG GLU 43 1HG GLU 43 -4.781 0.847 -0.967 336 H SER 44 H SER 44 -4.305 -0.527 -2.188 337 HA SER 44 HA SER 44 -5.743 -2.987 -2.311 338 1HB SER 44 2HB SER 44 -6.836 -2.069 -4.121 339 2HB SER 44 1HB SER 44 -6.230 -0.594 -3.365 340 HG SER 44 HG SER 44 -5.322 -0.263 -5.227 341 H LEU 45 H LEU 45 -2.650 -1.910 -3.363 342 HA LEU 45 HA LEU 45 -2.144 -3.602 -5.527 343 1HB LEU 45 2HB LEU 45 -0.586 -2.006 -3.646 344 2HB LEU 45 1HB LEU 45 0.273 -3.426 -4.193 345 1HD1 LEU 45 1HD1 LEU 45 1.237 -3.621 -5.983 346 2HD1 LEU 45 2HD1 LEU 45 2.009 -2.033 -6.042 347 3HD1 LEU 45 3HD1 LEU 45 1.051 -2.601 -7.410 348 1HD2 LEU 45 1HD2 LEU 45 -2.173 -1.770 -6.235 349 2HD2 LEU 45 2HD2 LEU 45 -1.254 -2.799 -7.331 350 3HD2 LEU 45 3HD2 LEU 45 -1.061 -1.048 -7.397 351 H LYS 46 H LYS 46 -1.190 -4.127 -2.123 352 HA LYS 46 HA LYS 46 -0.458 -6.839 -2.573 353 1HB LYS 46 2HB LYS 46 0.624 -6.193 -0.703 354 2HB LYS 46 1HB LYS 46 -0.583 -4.986 -0.286 355 1HG LYS 46 2HG LYS 46 -1.173 -7.890 0.126 356 2HG LYS 46 1HG LYS 46 -0.157 -7.013 1.278 357 1HD LYS 46 2HD LYS 46 -2.017 -5.287 1.388 358 2HD LYS 46 1HD LYS 46 -3.018 -6.456 0.534 359 1HE LYS 46 2HE LYS 46 -3.184 -7.838 2.316 360 2HE LYS 46 1HE LYS 46 -1.576 -7.429 2.920 361 1HZ LYS 46 1HZ LYS 46 -2.743 -5.133 3.345 362 2HZ LYS 46 2HZ LYS 46 -2.869 -6.394 4.464 363 3HZ LYS 46 3HZ LYS 46 -4.138 -6.089 3.388 364 H ASN 47 H ASN 47 -3.341 -5.321 -1.119 365 HA ASN 47 HA ASN 47 -4.661 -7.694 -0.447 366 1HB ASN 47 2HB ASN 47 -5.379 -5.425 0.290 367 2HB ASN 47 1HB ASN 47 -5.944 -5.097 -1.345 368 1HD2 ASN 47 1HD2 ASN 47 -6.787 -6.228 1.669 369 2HD2 ASN 47 2HD2 ASN 47 -8.287 -6.982 1.263 370 H GLU 48 H GLU 48 -4.244 -6.102 -3.507 371 HA GLU 48 HA GLU 48 -6.290 -7.605 -4.865 372 1HB GLU 48 2HB GLU 48 -5.641 -5.410 -5.716 373 2HB GLU 48 1HB GLU 48 -3.986 -5.960 -5.938 374 1HG GLU 48 2HG GLU 48 -4.553 -6.425 -8.029 375 2HG GLU 48 1HG GLU 48 -5.469 -7.784 -7.379 376 H ILE 49 H ILE 49 -2.817 -7.803 -4.395 377 HA ILE 49 HA ILE 49 -2.318 -9.942 -6.176 378 HB ILE 49 HB ILE 49 -0.199 -10.177 -5.152 379 1HG1 ILE 49 2HG1 ILE 49 -0.824 -8.502 -2.773 380 2HG1 ILE 49 1HG1 ILE 49 -1.337 -10.177 -2.750 381 1HG2 ILE 49 1HG2 ILE 49 -1.181 -7.653 -5.849 382 2HG2 ILE 49 2HG2 ILE 49 0.492 -8.208 -5.868 383 3HG2 ILE 49 3HG2 ILE 49 -0.156 -7.413 -4.434 384 1HD1 ILE 49 1HD1 ILE 49 0.793 -10.955 -2.673 385 2HD1 ILE 49 2HD1 ILE 49 0.958 -9.431 -1.793 386 3HD1 ILE 49 3HD1 ILE 49 1.454 -9.533 -3.482 387 H LEU 50 H LEU 50 -3.549 -9.720 -2.957 388 HA LEU 50 HA LEU 50 -3.314 -12.518 -2.359 389 1HB LEU 50 2HB LEU 50 -4.734 -10.219 -1.014 390 2HB LEU 50 1HB LEU 50 -4.740 -11.853 -0.375 391 HG LEU 50 HG LEU 50 -2.071 -10.749 -0.953 392 1HD1 LEU 50 1HD1 LEU 50 -3.027 -8.735 -0.122 393 2HD1 LEU 50 2HD1 LEU 50 -2.070 -9.453 1.175 394 3HD1 LEU 50 3HD1 LEU 50 -3.830 -9.591 1.194 395 1HD2 LEU 50 1HD2 LEU 50 -1.963 -11.651 1.550 396 2HD2 LEU 50 2HD2 LEU 50 -1.867 -12.721 0.149 397 3HD2 LEU 50 3HD2 LEU 50 -3.397 -12.526 1.010 398 H LYS 51 H LYS 51 -5.743 -10.336 -3.624 399 HA LYS 51 HA LYS 51 -8.011 -11.948 -3.350 400 1HB LYS 51 2HB LYS 51 -8.095 -9.589 -4.054 401 2HB LYS 51 1HB LYS 51 -7.338 -10.018 -5.582 402 1HG LYS 51 2HG LYS 51 -9.236 -10.986 -6.413 403 2HG LYS 51 1HG LYS 51 -9.863 -11.388 -4.813 404 1HD LYS 51 2HD LYS 51 -10.097 -8.856 -4.481 405 2HD LYS 51 1HD LYS 51 -9.884 -8.740 -6.229 406 1HE LYS 51 2HE LYS 51 -11.761 -10.559 -6.273 407 2HE LYS 51 1HE LYS 51 -12.120 -9.947 -4.661 408 1HZ LYS 51 1HZ LYS 51 -12.861 -7.990 -5.460 409 2HZ LYS 51 2HZ LYS 51 -13.183 -8.920 -6.836 410 3HZ LYS 51 3HZ LYS 51 -11.789 -7.967 -6.771 411 H ALA 52 H ALA 52 -5.259 -12.213 -5.404 412 HA ALA 52 HA ALA 52 -6.391 -14.627 -6.592 413 1HB ALA 52 1HB ALA 52 -5.432 -14.012 -8.802 414 2HB ALA 52 2HB ALA 52 -5.084 -12.407 -8.157 415 3HB ALA 52 3HB ALA 52 -6.753 -12.962 -8.289 416 H LEU 53 H LEU 53 -4.874 -15.167 -4.668 417 HA LEU 53 HA LEU 53 -2.056 -15.129 -5.355 418 1HB LEU 53 2HB LEU 53 -3.485 -15.166 -2.969 419 2HB LEU 53 1HB LEU 53 -2.784 -16.769 -3.067 420 HG LEU 53 HG LEU 53 -0.997 -14.440 -3.565 421 1HD1 LEU 53 1HD1 LEU 53 -2.527 -14.115 -1.461 422 2HD1 LEU 53 2HD1 LEU 53 -0.797 -13.788 -1.379 423 3HD1 LEU 53 3HD1 LEU 53 -1.438 -15.306 -0.750 424 1HD2 LEU 53 1HD2 LEU 53 -0.666 -17.170 -3.359 425 2HD2 LEU 53 2HD2 LEU 53 -0.135 -16.573 -1.786 426 3HD2 LEU 53 3HD2 LEU 53 0.610 -15.957 -3.260 427 HA PRO 54 HA PRO 54 -2.175 -19.084 -7.378 428 1HB PRO 54 2HB PRO 54 0.474 -19.702 -7.207 429 2HB PRO 54 1HB PRO 54 -0.180 -18.543 -8.369 430 1HG PRO 54 2HG PRO 54 1.151 -18.040 -5.736 431 2HG PRO 54 1HG PRO 54 1.366 -17.192 -7.280 432 1HD PRO 54 2HD PRO 54 -0.160 -16.190 -5.294 433 2HD PRO 54 1HD PRO 54 -0.556 -15.941 -7.007 434 H THR 55 H THR 55 -3.410 -19.993 -5.563 435 HA THR 55 HA THR 55 -1.832 -22.018 -4.178 436 HB THR 55 HB THR 55 -3.650 -21.304 -2.222 437 HG1 THR 55 1HG THR 55 -2.483 -18.924 -3.220 438 1HG2 THR 55 1HG2 THR 55 -0.971 -20.028 -2.156 439 2HG2 THR 55 2HG2 THR 55 -1.076 -21.789 -2.182 440 3HG2 THR 55 3HG2 THR 55 -1.856 -20.878 -0.889 441 H GLU 56 H GLU 56 -2.714 -23.810 -4.989 442 HA GLU 56 HA GLU 56 -5.621 -23.945 -5.342 443 1HB GLU 56 2HB GLU 56 -3.295 -25.344 -6.556 444 2HB GLU 56 1HB GLU 56 -4.791 -26.255 -6.405 445 1HG GLU 56 2HG GLU 56 -5.898 -24.965 -7.922 446 2HG GLU 56 1HG GLU 56 -4.929 -23.534 -7.577 Start of MODEL 19 1 1H MET 1 1HT MET 1 8.303 25.324 7.933 2 2H MET 1 2HT MET 1 7.176 25.429 9.214 3 3H MET 1 3HT MET 1 7.266 26.681 8.042 4 HA MET 1 HA MET 1 5.423 25.497 7.445 5 1HB MET 1 2HB MET 1 7.519 25.746 5.794 6 2HB MET 1 1HB MET 1 7.358 23.999 5.770 7 1HG MET 1 2HG MET 1 5.375 24.052 4.666 8 2HG MET 1 1HG MET 1 4.897 25.595 5.373 9 1HE MET 1 1HE MET 1 7.012 23.726 2.844 10 2HE MET 1 2HE MET 1 7.062 24.821 1.467 11 3HE MET 1 3HE MET 1 5.528 24.138 1.986 12 H GLU 2 H GLU 2 4.805 23.187 6.436 13 HA GLU 2 HA GLU 2 5.855 20.978 7.970 14 1HB GLU 2 2HB GLU 2 3.085 22.065 8.416 15 2HB GLU 2 1HB GLU 2 3.495 20.400 8.775 16 1HG GLU 2 2HG GLU 2 5.446 21.499 10.139 17 2HG GLU 2 1HG GLU 2 4.367 22.891 10.128 18 H ALA 3 H ALA 3 5.579 19.060 6.948 19 HA ALA 3 HA ALA 3 3.489 18.493 5.123 20 1HB ALA 3 1HB ALA 3 5.322 18.270 3.182 21 2HB ALA 3 2HB ALA 3 5.972 19.665 4.034 22 3HB ALA 3 3HB ALA 3 4.327 19.708 3.406 23 H VAL 4 H VAL 4 3.237 16.441 5.740 24 HA VAL 4 HA VAL 4 5.390 14.555 5.270 25 HB VAL 4 HB VAL 4 5.075 13.483 7.520 26 1HG1 VAL 4 1HG1 VAL 4 6.832 14.646 8.406 27 2HG1 VAL 4 2HG1 VAL 4 6.128 16.220 8.031 28 3HG1 VAL 4 3HG1 VAL 4 6.884 15.262 6.756 29 1HG2 VAL 4 1HG2 VAL 4 4.353 15.448 9.204 30 2HG2 VAL 4 2HG2 VAL 4 3.230 14.235 8.576 31 3HG2 VAL 4 3HG2 VAL 4 3.318 15.835 7.833 32 H ASP 5 H ASP 5 2.924 14.973 3.967 33 HA ASP 5 HA ASP 5 0.808 13.383 4.803 34 1HB ASP 5 2HB ASP 5 0.189 13.275 2.386 35 2HB ASP 5 1HB ASP 5 0.541 14.907 2.953 36 H ALA 6 H ALA 6 3.861 12.489 3.414 37 HA ALA 6 HA ALA 6 3.283 9.969 2.391 38 1HB ALA 6 1HB ALA 6 5.490 11.404 2.443 39 2HB ALA 6 2HB ALA 6 5.537 9.654 2.239 40 3HB ALA 6 3HB ALA 6 5.854 10.365 3.822 41 H ASN 7 H ASN 7 3.423 11.046 5.675 42 HA ASN 7 HA ASN 7 4.048 8.686 7.023 43 1HB ASN 7 2HB ASN 7 2.654 11.201 7.677 44 2HB ASN 7 1HB ASN 7 2.216 9.832 8.690 45 1HD2 ASN 7 1HD2 ASN 7 3.929 12.385 8.930 46 2HD2 ASN 7 2HD2 ASN 7 5.360 11.824 9.723 47 H SER 8 H SER 8 0.877 9.889 5.956 48 HA SER 8 HA SER 8 -0.565 7.634 6.905 49 1HB SER 8 2HB SER 8 -1.560 9.898 6.410 50 2HB SER 8 1HB SER 8 -1.391 9.528 4.694 51 HG SER 8 HG SER 8 -3.062 8.250 4.813 52 H LEU 9 H LEU 9 1.096 8.433 3.951 53 HA LEU 9 HA LEU 9 0.014 6.363 2.333 54 1HB LEU 9 2HB LEU 9 1.172 8.433 1.518 55 2HB LEU 9 1HB LEU 9 2.685 7.748 2.072 56 HG LEU 9 HG LEU 9 0.935 6.465 -0.022 57 1HD1 LEU 9 1HD1 LEU 9 3.506 7.717 -0.738 58 2HD1 LEU 9 2HD1 LEU 9 2.155 8.797 -0.407 59 3HD1 LEU 9 3HD1 LEU 9 2.013 7.575 -1.666 60 1HD2 LEU 9 1HD2 LEU 9 2.228 4.718 0.545 61 2HD2 LEU 9 2HD2 LEU 9 3.439 5.735 1.326 62 3HD2 LEU 9 3HD2 LEU 9 3.440 5.551 -0.428 63 H ALA 10 H ALA 10 2.974 6.686 4.257 64 HA ALA 10 HA ALA 10 4.125 4.216 3.587 65 1HB ALA 10 1HB ALA 10 5.203 4.636 5.986 66 2HB ALA 10 2HB ALA 10 4.539 6.245 5.698 67 3HB ALA 10 3HB ALA 10 5.682 5.546 4.551 68 H GLN 11 H GLN 11 1.457 4.926 5.624 69 HA GLN 11 HA GLN 11 1.723 2.589 7.280 70 1HB GLN 11 2HB GLN 11 0.647 4.461 8.282 71 2HB GLN 11 1HB GLN 11 -0.461 4.633 6.925 72 1HG GLN 11 2HG GLN 11 -1.432 2.457 7.496 73 2HG GLN 11 1HG GLN 11 -0.399 2.385 8.917 74 1HE2 GLN 11 1HE2 GLN 11 -1.178 3.188 10.736 75 2HE2 GLN 11 2HE2 GLN 11 -2.534 4.246 10.875 76 H ALA 12 H ALA 12 -0.249 3.571 4.504 77 HA ALA 12 HA ALA 12 -1.947 1.399 4.326 78 1HB ALA 12 1HB ALA 12 -0.709 2.372 1.813 79 2HB ALA 12 2HB ALA 12 -1.580 3.542 2.810 80 3HB ALA 12 3HB ALA 12 -2.409 2.105 2.207 81 H LYS 13 H LYS 13 1.405 1.727 3.398 82 HA LYS 13 HA LYS 13 1.543 -0.988 2.364 83 1HB LYS 13 2HB LYS 13 4.114 -0.216 2.373 84 2HB LYS 13 1HB LYS 13 2.997 0.184 1.083 85 1HG LYS 13 2HG LYS 13 2.736 2.372 1.809 86 2HG LYS 13 1HG LYS 13 3.392 2.010 3.410 87 1HD LYS 13 2HD LYS 13 5.506 2.336 2.722 88 2HD LYS 13 1HD LYS 13 5.250 1.402 1.245 89 1HE LYS 13 2HE LYS 13 3.984 3.447 0.388 90 2HE LYS 13 1HE LYS 13 4.719 4.316 1.734 91 1HZ LYS 13 1HZ LYS 13 6.476 2.742 0.008 92 2HZ LYS 13 2HZ LYS 13 6.773 4.202 0.807 93 3HZ LYS 13 3HZ LYS 13 5.859 4.189 -0.616 94 H GLU 14 H GLU 14 3.249 0.885 4.900 95 HA GLU 14 HA GLU 14 4.584 -1.121 6.183 96 1HB GLU 14 2HB GLU 14 3.236 1.367 7.180 97 2HB GLU 14 1HB GLU 14 3.911 0.233 8.344 98 1HG GLU 14 2HG GLU 14 6.098 0.430 7.249 99 2HG GLU 14 1HG GLU 14 5.413 1.604 6.126 100 H ALA 15 H ALA 15 1.188 -0.329 6.283 101 HA ALA 15 HA ALA 15 0.562 -2.345 8.275 102 1HB ALA 15 1HB ALA 15 -1.482 -0.965 6.574 103 2HB ALA 15 2HB ALA 15 -0.657 -0.102 7.871 104 3HB ALA 15 3HB ALA 15 -1.616 -1.536 8.236 105 H ALA 16 H ALA 16 0.139 -1.912 4.782 106 HA ALA 16 HA ALA 16 -1.234 -4.365 4.338 107 1HB ALA 16 1HB ALA 16 -1.515 -2.737 2.665 108 2HB ALA 16 2HB ALA 16 -0.480 -3.958 1.927 109 3HB ALA 16 3HB ALA 16 0.221 -2.453 2.524 110 H ILE 17 H ILE 17 2.045 -3.454 4.716 111 HA ILE 17 HA ILE 17 3.280 -5.693 3.477 112 HB ILE 17 HB ILE 17 4.231 -3.599 5.428 113 1HG1 ILE 17 2HG1 ILE 17 5.095 -4.077 2.580 114 2HG1 ILE 17 1HG1 ILE 17 3.723 -3.057 2.988 115 1HG2 ILE 17 1HG2 ILE 17 5.665 -5.294 6.012 116 2HG2 ILE 17 2HG2 ILE 17 6.547 -4.501 4.708 117 3HG2 ILE 17 3HG2 ILE 17 5.667 -5.998 4.395 118 1HD1 ILE 17 1HD1 ILE 17 6.619 -2.633 3.625 119 2HD1 ILE 17 2HD1 ILE 17 5.336 -1.756 4.458 120 3HD1 ILE 17 3HD1 ILE 17 5.524 -1.596 2.712 121 H LYS 18 H LYS 18 2.109 -4.921 6.685 122 HA LYS 18 HA LYS 18 3.310 -7.058 8.086 123 1HB LYS 18 2HB LYS 18 1.573 -4.911 8.663 124 2HB LYS 18 1HB LYS 18 0.730 -6.371 9.170 125 1HG LYS 18 2HG LYS 18 2.636 -7.007 10.549 126 2HG LYS 18 1HG LYS 18 3.503 -5.562 10.026 127 1HD LYS 18 2HD LYS 18 2.016 -4.132 11.157 128 2HD LYS 18 1HD LYS 18 0.814 -5.408 11.359 129 1HE LYS 18 2HE LYS 18 2.067 -6.479 13.024 130 2HE LYS 18 1HE LYS 18 3.539 -5.607 12.600 131 1HZ LYS 18 1HZ LYS 18 2.878 -4.502 14.465 132 2HZ LYS 18 2HZ LYS 18 1.226 -4.694 14.150 133 3HZ LYS 18 3HZ LYS 18 2.126 -3.556 13.280 134 H GLU 19 H GLU 19 0.458 -6.798 6.100 135 HA GLU 19 HA GLU 19 -0.641 -9.328 6.892 136 1HB GLU 19 2HB GLU 19 -1.380 -7.133 5.137 137 2HB GLU 19 1HB GLU 19 -1.685 -8.689 4.376 138 1HG GLU 19 2HG GLU 19 -3.676 -8.250 5.448 139 2HG GLU 19 1HG GLU 19 -2.843 -9.290 6.604 140 H LEU 20 H LEU 20 1.317 -8.124 4.216 141 HA LEU 20 HA LEU 20 1.344 -10.447 2.662 142 1HB LEU 20 2HB LEU 20 2.445 -7.958 2.455 143 2HB LEU 20 1HB LEU 20 3.866 -8.950 2.730 144 HG LEU 20 HG LEU 20 2.250 -10.250 0.784 145 1HD1 LEU 20 1HD1 LEU 20 2.561 -7.304 0.414 146 2HD1 LEU 20 2HD1 LEU 20 1.168 -8.335 0.086 147 3HD1 LEU 20 3HD1 LEU 20 2.572 -8.386 -0.978 148 1HD2 LEU 20 1HD2 LEU 20 4.854 -8.796 0.438 149 2HD2 LEU 20 2HD2 LEU 20 4.232 -10.117 -0.546 150 3HD2 LEU 20 3HD2 LEU 20 4.704 -10.408 1.128 151 H LYS 21 H LYS 21 3.174 -9.515 5.500 152 HA LYS 21 HA LYS 21 4.957 -11.781 5.330 153 1HB LYS 21 2HB LYS 21 5.845 -11.014 7.456 154 2HB LYS 21 1HB LYS 21 5.690 -9.652 6.356 155 1HG LYS 21 2HG LYS 21 3.822 -8.805 7.501 156 2HG LYS 21 1HG LYS 21 3.593 -10.304 8.400 157 1HD LYS 21 2HD LYS 21 6.204 -9.473 8.977 158 2HD LYS 21 1HD LYS 21 5.216 -8.013 9.044 159 1HE LYS 21 2HE LYS 21 3.754 -8.990 10.658 160 2HE LYS 21 1HE LYS 21 4.501 -10.574 10.459 161 1HZ LYS 21 1HZ LYS 21 6.608 -9.099 11.161 162 2HZ LYS 21 2HZ LYS 21 5.645 -9.941 12.268 163 3HZ LYS 21 3HZ LYS 21 5.387 -8.289 12.009 164 H GLN 22 H GLN 22 2.023 -10.860 7.018 165 HA GLN 22 HA GLN 22 1.947 -13.117 8.759 166 1HB GLN 22 2HB GLN 22 0.325 -10.801 8.222 167 2HB GLN 22 1HB GLN 22 -0.696 -12.232 8.276 168 1HG GLN 22 2HG GLN 22 -0.647 -12.183 10.481 169 2HG GLN 22 1HG GLN 22 1.103 -12.394 10.450 170 1HE2 GLN 22 1HE2 GLN 22 2.106 -10.939 11.620 171 2HE2 GLN 22 2HE2 GLN 22 1.650 -9.284 11.812 172 H TYR 23 H TYR 23 0.978 -12.500 5.481 173 HA TYR 23 HA TYR 23 -0.604 -14.909 5.241 174 1HB TYR 23 2HB TYR 23 0.099 -12.609 3.497 175 2HB TYR 23 1HB TYR 23 -0.243 -14.137 2.687 176 HD1 TYR 23 1HD TYR 23 -2.455 -15.302 3.285 177 HD2 TYR 23 2HD TYR 23 -1.646 -11.217 4.140 178 HE1 TYR 23 1HE TYR 23 -4.864 -14.868 3.458 179 HE2 TYR 23 2HE TYR 23 -4.052 -10.770 4.319 180 HH TYR 23 HH TYR 23 -6.283 -12.868 4.844 181 H GLY 24 H GLY 24 2.558 -13.722 4.178 182 1HA GLY 24 2HA GLY 24 4.454 -15.199 4.137 183 2HA GLY 24 1HA GLY 24 3.364 -16.523 3.760 184 H ILE 25 H ILE 25 2.385 -13.944 1.918 185 HA ILE 25 HA ILE 25 3.002 -15.073 -0.522 186 HB ILE 25 HB ILE 25 3.069 -12.166 -0.752 187 1HG1 ILE 25 2HG1 ILE 25 0.778 -13.421 0.778 188 2HG1 ILE 25 1HG1 ILE 25 1.848 -12.141 1.342 189 1HG2 ILE 25 1HG2 ILE 25 2.296 -14.242 -2.280 190 2HG2 ILE 25 2HG2 ILE 25 1.739 -12.589 -2.525 191 3HG2 ILE 25 3HG2 ILE 25 0.735 -13.732 -1.638 192 1HD1 ILE 25 1HD1 ILE 25 -0.294 -11.993 -0.749 193 2HD1 ILE 25 2HD1 ILE 25 0.953 -10.757 -0.585 194 3HD1 ILE 25 3HD1 ILE 25 -0.151 -11.078 0.752 195 H GLY 26 H GLY 26 4.434 -13.920 -2.286 196 1HA GLY 26 2HA GLY 26 7.124 -14.283 -1.464 197 2HA GLY 26 1HA GLY 26 6.590 -13.697 -3.036 198 H ASP 27 H ASP 27 8.810 -12.861 -1.242 199 HA ASP 27 HA ASP 27 8.288 -10.387 -0.051 200 1HB ASP 27 2HB ASP 27 10.709 -9.990 -0.215 201 2HB ASP 27 1HB ASP 27 10.368 -11.628 0.333 202 H TYR 28 H TYR 28 8.555 -11.294 -3.352 203 HA TYR 28 HA TYR 28 9.396 -9.044 -4.683 204 1HB TYR 28 2HB TYR 28 8.297 -11.391 -5.457 205 2HB TYR 28 1HB TYR 28 6.927 -10.319 -5.735 206 HD1 TYR 28 1HD TYR 28 8.773 -7.886 -6.381 207 HD2 TYR 28 2HD TYR 28 8.577 -11.878 -7.829 208 HE1 TYR 28 1HE TYR 28 9.747 -7.151 -8.497 209 HE2 TYR 28 2HE TYR 28 9.559 -11.154 -9.964 210 HH TYR 28 HH TYR 28 9.696 -8.971 -11.283 211 H TYR 29 H TYR 29 6.199 -9.734 -3.410 212 HA TYR 29 HA TYR 29 5.009 -7.337 -4.349 213 1HB TYR 29 2HB TYR 29 3.957 -9.112 -2.153 214 2HB TYR 29 1HB TYR 29 3.038 -8.118 -3.280 215 HD1 TYR 29 1HD TYR 29 4.638 -8.796 -5.776 216 HD2 TYR 29 2HD TYR 29 2.998 -11.237 -2.690 217 HE1 TYR 29 1HE TYR 29 4.540 -10.703 -7.333 218 HE2 TYR 29 2HE TYR 29 2.882 -13.140 -4.246 219 HH TYR 29 HH TYR 29 2.815 -13.066 -7.246 220 H ILE 30 H ILE 30 5.817 -8.341 -0.981 221 HA ILE 30 HA ILE 30 5.116 -6.023 0.323 222 HB ILE 30 HB ILE 30 6.037 -7.933 1.509 223 1HG1 ILE 30 2HG1 ILE 30 6.152 -5.615 2.506 224 2HG1 ILE 30 1HG1 ILE 30 7.264 -6.788 3.195 225 1HG2 ILE 30 1HG2 ILE 30 7.697 -8.654 -0.016 226 2HG2 ILE 30 2HG2 ILE 30 8.488 -8.315 1.525 227 3HG2 ILE 30 3HG2 ILE 30 8.620 -7.167 0.190 228 1HD1 ILE 30 1HD1 ILE 30 8.703 -5.583 1.156 229 2HD1 ILE 30 2HD1 ILE 30 8.857 -5.286 2.888 230 3HD1 ILE 30 3HD1 ILE 30 7.798 -4.270 1.909 231 H LYS 31 H LYS 31 7.751 -6.593 -1.861 232 HA LYS 31 HA LYS 31 9.012 -4.031 -1.422 233 1HB LYS 31 2HB LYS 31 9.484 -6.232 -3.427 234 2HB LYS 31 1HB LYS 31 10.448 -4.764 -3.342 235 1HG LYS 31 2HG LYS 31 10.158 -6.751 -1.097 236 2HG LYS 31 1HG LYS 31 11.505 -6.705 -2.236 237 1HD LYS 31 2HD LYS 31 12.483 -4.991 -1.174 238 2HD LYS 31 1HD LYS 31 10.960 -4.122 -0.991 239 1HE LYS 31 2HE LYS 31 11.268 -4.564 1.196 240 2HE LYS 31 1HE LYS 31 10.586 -6.132 0.769 241 1HZ LYS 31 1HZ LYS 31 13.457 -5.851 0.414 242 2HZ LYS 31 2HZ LYS 31 12.562 -7.154 1.015 243 3HZ LYS 31 3HZ LYS 31 12.910 -5.835 2.016 244 H LEU 32 H LEU 32 7.224 -5.645 -4.053 245 HA LEU 32 HA LEU 32 7.247 -3.561 -5.867 246 1HB LEU 32 2HB LEU 32 6.027 -4.965 -7.120 247 2HB LEU 32 1HB LEU 32 6.183 -6.083 -5.788 248 HG LEU 32 HG LEU 32 3.915 -6.092 -6.379 249 1HD1 LEU 32 1HD1 LEU 32 3.297 -4.312 -4.265 250 2HD1 LEU 32 2HD1 LEU 32 4.833 -5.108 -3.915 251 3HD1 LEU 32 3HD1 LEU 32 3.391 -6.077 -4.237 252 1HD2 LEU 32 1HD2 LEU 32 2.742 -4.356 -7.194 253 2HD2 LEU 32 2HD2 LEU 32 4.322 -3.599 -7.395 254 3HD2 LEU 32 3HD2 LEU 32 3.351 -3.245 -5.968 255 H ILE 33 H ILE 33 5.687 -3.746 -2.867 256 HA ILE 33 HA ILE 33 3.580 -1.858 -3.370 257 HB ILE 33 HB ILE 33 4.696 -3.231 -0.950 258 1HG1 ILE 33 2HG1 ILE 33 2.065 -3.126 -2.402 259 2HG1 ILE 33 1HG1 ILE 33 3.097 -4.518 -2.091 260 1HG2 ILE 33 1HG2 ILE 33 4.112 -1.650 0.484 261 2HG2 ILE 33 2HG2 ILE 33 2.466 -1.659 -0.144 262 3HG2 ILE 33 3HG2 ILE 33 3.670 -0.591 -0.850 263 1HD1 ILE 33 1HD1 ILE 33 0.851 -3.657 -0.647 264 2HD1 ILE 33 2HD1 ILE 33 2.250 -3.407 0.400 265 3HD1 ILE 33 3HD1 ILE 33 1.933 -5.002 -0.281 266 H ASN 34 H ASN 34 6.571 -1.775 -1.432 267 HA ASN 34 HA ASN 34 6.548 0.889 -0.731 268 1HB ASN 34 2HB ASN 34 8.265 -1.188 -0.346 269 2HB ASN 34 1HB ASN 34 9.212 -0.170 -1.426 270 1HD2 ASN 34 1HD2 ASN 34 9.661 1.994 -0.778 271 2HD2 ASN 34 2HD2 ASN 34 9.695 2.415 0.897 272 H ASN 35 H ASN 35 7.172 -0.494 -3.842 273 HA ASN 35 HA ASN 35 8.655 1.673 -4.934 274 1HB ASN 35 2HB ASN 35 8.180 -0.850 -5.755 275 2HB ASN 35 1HB ASN 35 7.015 0.011 -6.756 276 1HD2 ASN 35 1HD2 ASN 35 8.033 2.122 -7.693 277 2HD2 ASN 35 2HD2 ASN 35 9.564 1.896 -8.462 278 H ALA 36 H ALA 36 5.253 1.060 -4.500 279 HA ALA 36 HA ALA 36 4.128 2.689 -6.434 280 1HB ALA 36 1HB ALA 36 2.462 3.086 -4.304 281 2HB ALA 36 2HB ALA 36 3.275 1.580 -3.877 282 3HB ALA 36 3HB ALA 36 2.407 1.710 -5.405 283 H LYS 37 H LYS 37 3.398 4.822 -6.469 284 HA LYS 37 HA LYS 37 5.070 6.652 -4.915 285 1HB LYS 37 2HB LYS 37 3.279 7.425 -7.207 286 2HB LYS 37 1HB LYS 37 4.699 8.253 -6.597 287 1HG LYS 37 2HG LYS 37 5.633 7.335 -8.431 288 2HG LYS 37 1HG LYS 37 5.860 5.977 -7.328 289 1HD LYS 37 2HD LYS 37 3.247 5.843 -8.509 290 2HD LYS 37 1HD LYS 37 4.466 6.006 -9.775 291 1HE LYS 37 2HE LYS 37 5.446 4.001 -9.282 292 2HE LYS 37 1HE LYS 37 4.984 4.070 -7.582 293 1HZ LYS 37 1HZ LYS 37 3.738 2.362 -8.683 294 2HZ LYS 37 2HZ LYS 37 3.202 3.439 -9.870 295 3HZ LYS 37 3HZ LYS 37 2.681 3.617 -8.271 296 H THR 38 H THR 38 1.724 5.864 -5.594 297 HA THR 38 HA THR 38 0.777 7.973 -3.808 298 HB THR 38 HB THR 38 -1.409 7.534 -4.656 299 HG1 THR 38 1HG THR 38 -1.756 5.449 -4.803 300 1HG2 THR 38 1HG2 THR 38 -0.891 8.572 -6.532 301 2HG2 THR 38 2HG2 THR 38 -0.580 7.001 -7.264 302 3HG2 THR 38 3HG2 THR 38 0.736 7.907 -6.520 303 H VAL 39 H VAL 39 -1.610 6.444 -3.000 304 HA VAL 39 HA VAL 39 -0.366 4.389 -1.327 305 HB VAL 39 HB VAL 39 -0.796 6.691 -0.171 306 1HG1 VAL 39 1HG1 VAL 39 -2.915 6.836 0.940 307 2HG1 VAL 39 2HG1 VAL 39 -3.462 5.350 0.163 308 3HG1 VAL 39 3HG1 VAL 39 -3.178 6.797 -0.805 309 1HG2 VAL 39 1HG2 VAL 39 -1.200 3.911 0.779 310 2HG2 VAL 39 2HG2 VAL 39 -1.438 5.246 1.905 311 3HG2 VAL 39 3HG2 VAL 39 0.122 5.025 1.107 312 H GLU 40 H GLU 40 -3.431 5.725 -2.514 313 HA GLU 40 HA GLU 40 -5.171 3.765 -1.689 314 1HB GLU 40 2HB GLU 40 -5.072 5.598 -4.019 315 2HB GLU 40 1HB GLU 40 -6.215 4.263 -4.105 316 1HG GLU 40 2HG GLU 40 -7.641 5.476 -2.932 317 2HG GLU 40 1HG GLU 40 -6.542 5.367 -1.560 318 H GLY 41 H GLY 41 -2.784 3.612 -4.227 319 1HA GLY 41 2HA GLY 41 -3.790 1.068 -5.216 320 2HA GLY 41 1HA GLY 41 -2.387 1.940 -5.817 321 H VAL 42 H VAL 42 -1.292 2.273 -3.103 322 HA VAL 42 HA VAL 42 0.406 0.064 -3.017 323 HB VAL 42 HB VAL 42 -0.265 1.895 -0.714 324 1HG1 VAL 42 1HG1 VAL 42 1.863 -0.122 -1.249 325 2HG1 VAL 42 2HG1 VAL 42 0.928 0.163 0.226 326 3HG1 VAL 42 3HG1 VAL 42 2.223 1.279 -0.235 327 1HG2 VAL 42 1HG2 VAL 42 0.585 2.847 -3.021 328 2HG2 VAL 42 2HG2 VAL 42 2.135 2.246 -2.438 329 3HG2 VAL 42 3HG2 VAL 42 1.245 3.435 -1.496 330 H GLU 43 H GLU 43 -2.380 0.826 -0.945 331 HA GLU 43 HA GLU 43 -2.206 -1.570 0.573 332 1HB GLU 43 2HB GLU 43 -4.744 -0.915 0.999 333 2HB GLU 43 1HB GLU 43 -3.425 -0.012 1.731 334 1HG GLU 43 2HG GLU 43 -3.624 1.740 0.172 335 2HG GLU 43 1HG GLU 43 -4.677 0.787 -0.876 336 H SER 44 H SER 44 -4.369 -0.581 -2.069 337 HA SER 44 HA SER 44 -5.730 -3.040 -2.264 338 1HB SER 44 2HB SER 44 -6.856 -2.072 -4.012 339 2HB SER 44 1HB SER 44 -6.160 -0.611 -3.309 340 HG SER 44 HG SER 44 -4.433 -0.836 -4.827 341 H LEU 45 H LEU 45 -2.635 -1.989 -3.333 342 HA LEU 45 HA LEU 45 -2.177 -3.671 -5.517 343 1HB LEU 45 2HB LEU 45 -0.556 -2.133 -3.618 344 2HB LEU 45 1HB LEU 45 0.270 -3.525 -4.281 345 1HD1 LEU 45 1HD1 LEU 45 1.194 -3.612 -6.052 346 2HD1 LEU 45 2HD1 LEU 45 1.884 -2.009 -6.311 347 3HD1 LEU 45 3HD1 LEU 45 0.777 -2.696 -7.500 348 1HD2 LEU 45 1HD2 LEU 45 -1.416 -2.647 -7.329 349 2HD2 LEU 45 2HD2 LEU 45 -1.235 -0.898 -7.210 350 3HD2 LEU 45 3HD2 LEU 45 -2.269 -1.756 -6.070 351 H LYS 46 H LYS 46 -1.157 -4.221 -2.132 352 HA LYS 46 HA LYS 46 -0.452 -6.930 -2.623 353 1HB LYS 46 2HB LYS 46 0.682 -6.378 -0.772 354 2HB LYS 46 1HB LYS 46 -0.428 -5.086 -0.352 355 1HG LYS 46 2HG LYS 46 -1.171 -7.945 0.151 356 2HG LYS 46 1HG LYS 46 -0.096 -7.084 1.257 357 1HD LYS 46 2HD LYS 46 -1.862 -5.276 1.374 358 2HD LYS 46 1HD LYS 46 -2.935 -6.390 0.534 359 1HE LYS 46 2HE LYS 46 -3.022 -7.864 2.306 360 2HE LYS 46 1HE LYS 46 -1.517 -7.268 3.007 361 1HZ LYS 46 1HZ LYS 46 -2.884 -6.175 4.384 362 2HZ LYS 46 2HZ LYS 46 -4.221 -6.314 3.360 363 3HZ LYS 46 3HZ LYS 46 -3.085 -5.088 3.104 364 H ASN 47 H ASN 47 -3.296 -5.408 -1.118 365 HA ASN 47 HA ASN 47 -4.595 -7.781 -0.402 366 1HB ASN 47 2HB ASN 47 -5.180 -5.118 -0.144 367 2HB ASN 47 1HB ASN 47 -6.370 -5.615 -1.343 368 1HD2 ASN 47 1HD2 ASN 47 -5.459 -5.668 1.936 369 2HD2 ASN 47 2HD2 ASN 47 -6.780 -6.610 2.530 370 H GLU 48 H GLU 48 -4.198 -6.238 -3.476 371 HA GLU 48 HA GLU 48 -6.269 -7.770 -4.783 372 1HB GLU 48 2HB GLU 48 -5.695 -5.542 -5.625 373 2HB GLU 48 1HB GLU 48 -4.042 -6.064 -5.922 374 1HG GLU 48 2HG GLU 48 -4.610 -7.288 -7.771 375 2HG GLU 48 1HG GLU 48 -6.269 -7.542 -7.227 376 H ILE 49 H ILE 49 -2.778 -7.865 -4.414 377 HA ILE 49 HA ILE 49 -2.254 -9.976 -6.220 378 HB ILE 49 HB ILE 49 -0.121 -10.190 -5.226 379 1HG1 ILE 49 2HG1 ILE 49 -0.892 -8.642 -2.772 380 2HG1 ILE 49 1HG1 ILE 49 -1.139 -10.374 -2.838 381 1HG2 ILE 49 1HG2 ILE 49 -0.138 -7.439 -4.434 382 2HG2 ILE 49 2HG2 ILE 49 -1.140 -7.674 -5.865 383 3HG2 ILE 49 3HG2 ILE 49 0.545 -8.190 -5.875 384 1HD1 ILE 49 1HD1 ILE 49 1.525 -9.354 -3.558 385 2HD1 ILE 49 2HD1 ILE 49 1.052 -10.821 -2.699 386 3HD1 ILE 49 3HD1 ILE 49 1.036 -9.264 -1.866 387 H LEU 50 H LEU 50 -3.356 -9.818 -2.935 388 HA LEU 50 HA LEU 50 -3.044 -12.573 -2.322 389 1HB LEU 50 2HB LEU 50 -4.630 -10.327 -1.087 390 2HB LEU 50 1HB LEU 50 -4.634 -11.953 -0.425 391 HG LEU 50 HG LEU 50 -1.965 -10.786 -0.878 392 1HD1 LEU 50 1HD1 LEU 50 -3.888 -9.646 1.128 393 2HD1 LEU 50 2HD1 LEU 50 -2.960 -8.792 -0.105 394 3HD1 LEU 50 3HD1 LEU 50 -2.135 -9.510 1.279 395 1HD2 LEU 50 1HD2 LEU 50 -3.343 -12.534 1.098 396 2HD2 LEU 50 2HD2 LEU 50 -1.876 -11.686 1.587 397 3HD2 LEU 50 3HD2 LEU 50 -1.838 -12.793 0.214 398 H LYS 51 H LYS 51 -5.577 -10.599 -3.736 399 HA LYS 51 HA LYS 51 -7.720 -12.396 -3.520 400 1HB LYS 51 2HB LYS 51 -7.992 -10.062 -4.245 401 2HB LYS 51 1HB LYS 51 -7.119 -10.416 -5.729 402 1HG LYS 51 2HG LYS 51 -9.051 -12.264 -5.903 403 2HG LYS 51 1HG LYS 51 -9.900 -11.030 -4.969 404 1HD LYS 51 2HD LYS 51 -8.376 -9.986 -7.245 405 2HD LYS 51 1HD LYS 51 -9.692 -11.075 -7.691 406 1HE LYS 51 2HE LYS 51 -11.017 -9.596 -5.942 407 2HE LYS 51 1HE LYS 51 -9.784 -8.412 -6.370 408 1HZ LYS 51 1HZ LYS 51 -11.803 -8.262 -7.743 409 2HZ LYS 51 2HZ LYS 51 -11.511 -9.818 -8.334 410 3HZ LYS 51 3HZ LYS 51 -10.417 -8.570 -8.660 411 H ALA 52 H ALA 52 -4.902 -12.376 -5.515 412 HA ALA 52 HA ALA 52 -5.676 -14.951 -6.641 413 1HB ALA 52 1HB ALA 52 -4.762 -12.619 -8.321 414 2HB ALA 52 2HB ALA 52 -6.350 -13.385 -8.357 415 3HB ALA 52 3HB ALA 52 -4.928 -14.277 -8.897 416 H LEU 53 H LEU 53 -4.074 -15.415 -4.886 417 HA LEU 53 HA LEU 53 -1.401 -14.648 -4.976 418 1HB LEU 53 2HB LEU 53 -2.951 -16.335 -3.420 419 2HB LEU 53 1HB LEU 53 -1.768 -17.414 -4.135 420 HG LEU 53 HG LEU 53 -0.082 -15.534 -3.315 421 1HD1 LEU 53 1HD1 LEU 53 -1.490 -13.935 -2.395 422 2HD1 LEU 53 2HD1 LEU 53 -0.950 -14.850 -0.988 423 3HD1 LEU 53 3HD1 LEU 53 -2.551 -15.142 -1.669 424 1HD2 LEU 53 1HD2 LEU 53 0.579 -17.057 -1.787 425 2HD2 LEU 53 2HD2 LEU 53 -0.634 -18.063 -2.581 426 3HD2 LEU 53 3HD2 LEU 53 -1.032 -17.215 -1.086 427 HA PRO 54 HA PRO 54 -0.690 -18.835 -7.552 428 1HB PRO 54 2HB PRO 54 -3.266 -18.619 -9.044 429 2HB PRO 54 1HB PRO 54 -2.364 -20.060 -8.558 430 1HG PRO 54 2HG PRO 54 -4.554 -19.326 -7.237 431 2HG PRO 54 1HG PRO 54 -3.146 -19.975 -6.375 432 1HD PRO 54 2HD PRO 54 -4.115 -17.163 -6.579 433 2HD PRO 54 1HD PRO 54 -3.322 -17.990 -5.224 434 H THR 55 H THR 55 0.599 -18.467 -9.256 435 HA THR 55 HA THR 55 0.530 -15.942 -10.586 436 HB THR 55 HB THR 55 2.325 -17.346 -12.035 437 HG1 THR 55 1HG THR 55 2.935 -19.108 -11.080 438 1HG2 THR 55 1HG2 THR 55 3.234 -15.529 -10.999 439 2HG2 THR 55 2HG2 THR 55 3.965 -16.836 -10.066 440 3HG2 THR 55 3HG2 THR 55 2.577 -15.960 -9.419 441 H GLU 56 H GLU 56 -1.287 -15.704 -11.822 442 HA GLU 56 HA GLU 56 -1.335 -17.188 -14.314 443 1HB GLU 56 2HB GLU 56 -3.849 -17.553 -14.044 444 2HB GLU 56 1HB GLU 56 -2.785 -18.623 -13.143 445 1HG GLU 56 2HG GLU 56 -3.104 -17.017 -11.191 446 2HG GLU 56 1HG GLU 56 -4.437 -16.339 -12.125 Start of MODEL 20 1 1H MET 1 1HT MET 1 -3.893 21.398 11.716 2 2H MET 1 2HT MET 1 -2.444 20.572 12.124 3 3H MET 1 3HT MET 1 -3.955 19.770 12.233 4 HA MET 1 HA MET 1 -2.989 18.997 10.313 5 1HB MET 1 2HB MET 1 -5.069 21.124 9.967 6 2HB MET 1 1HB MET 1 -4.434 20.295 8.543 7 1HG MET 1 2HG MET 1 -5.001 18.187 10.113 8 2HG MET 1 1HG MET 1 -6.229 19.322 10.663 9 1HE MET 1 1HE MET 1 -5.155 18.016 6.614 10 2HE MET 1 2HE MET 1 -6.029 16.653 7.296 11 3HE MET 1 3HE MET 1 -4.639 17.323 8.140 12 H GLU 2 H GLU 2 -1.065 19.189 9.377 13 HA GLU 2 HA GLU 2 -0.333 21.777 8.196 14 1HB GLU 2 2HB GLU 2 0.882 20.845 10.428 15 2HB GLU 2 1HB GLU 2 1.886 20.096 9.196 16 1HG GLU 2 2HG GLU 2 3.013 22.039 9.412 17 2HG GLU 2 1HG GLU 2 1.820 22.579 8.232 18 H ALA 3 H ALA 3 1.078 18.506 8.345 19 HA ALA 3 HA ALA 3 0.451 17.746 5.730 20 1HB ALA 3 1HB ALA 3 2.912 19.390 6.012 21 2HB ALA 3 2HB ALA 3 1.773 19.269 4.669 22 3HB ALA 3 3HB ALA 3 2.967 17.998 4.929 23 H VAL 4 H VAL 4 0.500 15.616 5.918 24 HA VAL 4 HA VAL 4 2.873 14.254 6.838 25 HB VAL 4 HB VAL 4 1.598 12.867 8.509 26 1HG1 VAL 4 1HG1 VAL 4 1.819 15.793 9.209 27 2HG1 VAL 4 2HG1 VAL 4 3.183 14.676 9.122 28 3HG1 VAL 4 3HG1 VAL 4 1.912 14.427 10.316 29 1HG2 VAL 4 1HG2 VAL 4 -0.366 14.247 9.515 30 2HG2 VAL 4 2HG2 VAL 4 -0.647 13.213 8.123 31 3HG2 VAL 4 3HG2 VAL 4 -0.457 14.950 7.901 32 H ASP 5 H ASP 5 1.261 14.432 4.406 33 HA ASP 5 HA ASP 5 -0.357 12.190 4.020 34 1HB ASP 5 2HB ASP 5 0.125 14.282 2.500 35 2HB ASP 5 1HB ASP 5 1.333 13.222 1.783 36 H ALA 6 H ALA 6 3.118 12.586 3.913 37 HA ALA 6 HA ALA 6 3.716 10.111 2.655 38 1HB ALA 6 1HB ALA 6 5.733 11.043 2.611 39 2HB ALA 6 2HB ALA 6 5.853 10.870 4.362 40 3HB ALA 6 3HB ALA 6 5.167 12.341 3.662 41 H ASN 7 H ASN 7 3.228 11.083 5.999 42 HA ASN 7 HA ASN 7 4.198 8.729 7.214 43 1HB ASN 7 2HB ASN 7 3.336 11.144 8.142 44 2HB ASN 7 1HB ASN 7 1.975 10.112 8.574 45 1HD2 ASN 7 1HD2 ASN 7 2.135 8.837 10.305 46 2HD2 ASN 7 2HD2 ASN 7 3.563 8.616 11.248 47 H SER 8 H SER 8 0.925 9.735 6.269 48 HA SER 8 HA SER 8 -0.320 7.323 7.110 49 1HB SER 8 2HB SER 8 -1.128 9.812 5.874 50 2HB SER 8 1HB SER 8 -1.919 8.448 5.092 51 HG SER 8 HG SER 8 -1.832 8.754 7.900 52 H LEU 9 H LEU 9 1.190 8.399 4.158 53 HA LEU 9 HA LEU 9 0.219 6.398 2.426 54 1HB LEU 9 2HB LEU 9 1.362 8.543 1.778 55 2HB LEU 9 1HB LEU 9 2.878 7.815 2.267 56 HG LEU 9 HG LEU 9 1.106 6.714 0.092 57 1HD1 LEU 9 1HD1 LEU 9 2.841 7.616 -1.434 58 2HD1 LEU 9 2HD1 LEU 9 3.522 8.479 -0.062 59 3HD1 LEU 9 3HD1 LEU 9 1.891 8.854 -0.613 60 1HD2 LEU 9 1HD2 LEU 9 2.372 4.907 0.533 61 2HD2 LEU 9 2HD2 LEU 9 3.612 5.848 1.365 62 3HD2 LEU 9 3HD2 LEU 9 3.585 5.786 -0.397 63 H ALA 10 H ALA 10 3.156 6.657 4.394 64 HA ALA 10 HA ALA 10 4.322 4.223 3.587 65 1HB ALA 10 1HB ALA 10 5.329 6.249 4.854 66 2HB ALA 10 2HB ALA 10 5.954 4.634 5.157 67 3HB ALA 10 3HB ALA 10 4.825 5.372 6.294 68 H GLN 11 H GLN 11 1.706 4.869 5.708 69 HA GLN 11 HA GLN 11 1.986 2.483 7.281 70 1HB GLN 11 2HB GLN 11 0.926 4.329 8.346 71 2HB GLN 11 1HB GLN 11 -0.199 4.537 7.010 72 1HG GLN 11 2HG GLN 11 -1.166 2.349 7.538 73 2HG GLN 11 1HG GLN 11 -0.112 2.236 8.942 74 1HE2 GLN 11 1HE2 GLN 11 -2.254 2.003 9.995 75 2HE2 GLN 11 2HE2 GLN 11 -3.067 3.443 10.496 76 H ALA 12 H ALA 12 -0.005 3.539 4.549 77 HA ALA 12 HA ALA 12 -1.715 1.379 4.336 78 1HB ALA 12 1HB ALA 12 -1.293 3.572 2.856 79 2HB ALA 12 2HB ALA 12 -2.235 2.192 2.284 80 3HB ALA 12 3HB ALA 12 -0.542 2.364 1.809 81 H LYS 13 H LYS 13 1.620 1.725 3.339 82 HA LYS 13 HA LYS 13 1.732 -0.967 2.243 83 1HB LYS 13 2HB LYS 13 4.300 -0.187 2.197 84 2HB LYS 13 1HB LYS 13 3.143 0.243 0.952 85 1HG LYS 13 2HG LYS 13 2.882 2.406 1.756 86 2HG LYS 13 1HG LYS 13 3.607 2.002 3.318 87 1HD LYS 13 2HD LYS 13 5.694 2.349 2.552 88 2HD LYS 13 1HD LYS 13 5.370 1.494 1.042 89 1HE LYS 13 2HE LYS 13 4.052 3.581 0.365 90 2HE LYS 13 1HE LYS 13 4.868 4.375 1.711 91 1HZ LYS 13 1HZ LYS 13 6.158 4.793 -0.195 92 2HZ LYS 13 2HZ LYS 13 6.094 3.182 -0.707 93 3HZ LYS 13 3HZ LYS 13 6.998 3.600 0.660 94 H GLU 14 H GLU 14 3.392 0.865 4.829 95 HA GLU 14 HA GLU 14 4.826 -1.176 5.992 96 1HB GLU 14 2HB GLU 14 3.475 1.258 7.129 97 2HB GLU 14 1HB GLU 14 4.258 0.109 8.205 98 1HG GLU 14 2HG GLU 14 6.376 0.494 7.238 99 2HG GLU 14 1HG GLU 14 5.674 1.370 5.878 100 H ALA 15 H ALA 15 1.438 -0.388 6.209 101 HA ALA 15 HA ALA 15 0.852 -2.448 8.161 102 1HB ALA 15 1HB ALA 15 -0.403 -0.224 7.828 103 2HB ALA 15 2HB ALA 15 -1.353 -1.680 8.125 104 3HB ALA 15 3HB ALA 15 -1.204 -1.043 6.487 105 H ALA 16 H ALA 16 0.215 -1.917 4.700 106 HA ALA 16 HA ALA 16 -1.090 -4.345 4.182 107 1HB ALA 16 1HB ALA 16 0.448 -2.435 2.448 108 2HB ALA 16 2HB ALA 16 -1.290 -2.732 2.508 109 3HB ALA 16 3HB ALA 16 -0.215 -3.934 1.796 110 H ILE 17 H ILE 17 2.244 -3.584 4.651 111 HA ILE 17 HA ILE 17 3.341 -5.900 3.397 112 HB ILE 17 HB ILE 17 4.337 -3.586 4.874 113 1HG1 ILE 17 2HG1 ILE 17 6.282 -4.964 3.249 114 2HG1 ILE 17 1HG1 ILE 17 4.736 -4.882 2.410 115 1HG2 ILE 17 1HG2 ILE 17 5.036 -5.164 6.541 116 2HG2 ILE 17 2HG2 ILE 17 6.446 -4.643 5.620 117 3HG2 ILE 17 3HG2 ILE 17 5.725 -6.223 5.310 118 1HD1 ILE 17 1HD1 ILE 17 5.356 -2.853 1.768 119 2HD1 ILE 17 2HD1 ILE 17 6.683 -2.806 2.928 120 3HD1 ILE 17 3HD1 ILE 17 5.057 -2.340 3.428 121 H LYS 18 H LYS 18 2.308 -5.043 6.643 122 HA LYS 18 HA LYS 18 3.329 -7.226 8.055 123 1HB LYS 18 2HB LYS 18 1.456 -5.090 8.501 124 2HB LYS 18 1HB LYS 18 0.806 -6.586 9.160 125 1HG LYS 18 2HG LYS 18 2.031 -6.196 10.967 126 2HG LYS 18 1HG LYS 18 3.449 -6.582 9.990 127 1HD LYS 18 2HD LYS 18 3.307 -4.089 9.270 128 2HD LYS 18 1HD LYS 18 2.319 -3.907 10.720 129 1HE LYS 18 2HE LYS 18 4.447 -3.436 11.501 130 2HE LYS 18 1HE LYS 18 4.263 -5.142 11.903 131 1HZ LYS 18 1HZ LYS 18 6.381 -4.902 10.938 132 2HZ LYS 18 2HZ LYS 18 5.795 -3.962 9.660 133 3HZ LYS 18 3HZ LYS 18 5.419 -5.610 9.739 134 H GLU 19 H GLU 19 0.568 -6.935 5.949 135 HA GLU 19 HA GLU 19 -0.622 -9.427 6.730 136 1HB GLU 19 2HB GLU 19 -1.111 -7.420 4.563 137 2HB GLU 19 1HB GLU 19 -1.837 -9.016 4.436 138 1HG GLU 19 2HG GLU 19 -2.179 -7.650 7.023 139 2HG GLU 19 1HG GLU 19 -3.009 -6.926 5.646 140 H LEU 20 H LEU 20 1.570 -8.330 4.207 141 HA LEU 20 HA LEU 20 1.542 -10.672 2.654 142 1HB LEU 20 2HB LEU 20 3.064 -8.235 2.766 143 2HB LEU 20 1HB LEU 20 4.137 -9.602 2.518 144 HG LEU 20 HG LEU 20 1.987 -10.014 0.773 145 1HD1 LEU 20 1HD1 LEU 20 1.495 -8.080 -0.315 146 2HD1 LEU 20 2HD1 LEU 20 3.007 -7.300 0.156 147 3HD1 LEU 20 3HD1 LEU 20 1.699 -7.470 1.327 148 1HD2 LEU 20 1HD2 LEU 20 3.637 -10.337 -0.707 149 2HD2 LEU 20 2HD2 LEU 20 4.687 -10.168 0.698 150 3HD2 LEU 20 3HD2 LEU 20 4.395 -8.785 -0.356 151 H LYS 21 H LYS 21 3.234 -9.773 5.575 152 HA LYS 21 HA LYS 21 4.927 -12.120 5.543 153 1HB LYS 21 2HB LYS 21 5.688 -11.313 7.751 154 2HB LYS 21 1HB LYS 21 5.810 -10.072 6.513 155 1HG LYS 21 2HG LYS 21 3.802 -9.007 7.331 156 2HG LYS 21 1HG LYS 21 3.575 -10.293 8.519 157 1HD LYS 21 2HD LYS 21 6.142 -9.457 9.021 158 2HD LYS 21 1HD LYS 21 5.326 -7.953 8.592 159 1HE LYS 21 2HE LYS 21 4.728 -7.930 10.758 160 2HE LYS 21 1HE LYS 21 3.495 -9.078 10.242 161 1HZ LYS 21 1HZ LYS 21 5.376 -10.793 10.711 162 2HZ LYS 21 2HZ LYS 21 4.447 -10.184 11.985 163 3HZ LYS 21 3HZ LYS 21 5.995 -9.568 11.700 164 H GLN 22 H GLN 22 2.003 -10.981 7.134 165 HA GLN 22 HA GLN 22 1.773 -13.190 8.925 166 1HB GLN 22 2HB GLN 22 0.615 -10.827 8.951 167 2HB GLN 22 1HB GLN 22 -0.609 -11.637 7.983 168 1HG GLN 22 2HG GLN 22 -0.478 -13.413 9.923 169 2HG GLN 22 1HG GLN 22 0.130 -12.031 10.831 170 1HE2 GLN 22 1HE2 GLN 22 -1.942 -12.675 11.990 171 2HE2 GLN 22 2HE2 GLN 22 -3.378 -11.850 11.498 172 H TYR 23 H TYR 23 0.862 -12.581 5.628 173 HA TYR 23 HA TYR 23 -0.890 -14.874 5.440 174 1HB TYR 23 2HB TYR 23 0.066 -12.752 3.560 175 2HB TYR 23 1HB TYR 23 -0.592 -14.246 2.893 176 HD1 TYR 23 1HD TYR 23 -1.426 -11.024 3.563 177 HD2 TYR 23 2HD TYR 23 -2.858 -14.953 4.335 178 HE1 TYR 23 1HE TYR 23 -3.693 -10.134 3.839 179 HE2 TYR 23 2HE TYR 23 -5.134 -14.073 4.615 180 HH TYR 23 HH TYR 23 -6.460 -12.154 4.001 181 H GLY 24 H GLY 24 2.376 -13.970 4.455 182 1HA GLY 24 2HA GLY 24 4.086 -15.706 4.532 183 2HA GLY 24 1HA GLY 24 2.890 -16.821 3.889 184 H ILE 25 H ILE 25 2.216 -14.179 2.175 185 HA ILE 25 HA ILE 25 3.186 -15.093 -0.241 186 HB ILE 25 HB ILE 25 3.189 -12.161 -0.163 187 1HG1 ILE 25 2HG1 ILE 25 0.708 -13.657 0.719 188 2HG1 ILE 25 1HG1 ILE 25 1.590 -12.444 1.643 189 1HG2 ILE 25 1HG2 ILE 25 2.910 -12.869 -2.278 190 2HG2 ILE 25 2HG2 ILE 25 1.202 -12.894 -1.829 191 3HG2 ILE 25 3HG2 ILE 25 2.148 -14.381 -1.790 192 1HD1 ILE 25 1HD1 ILE 25 1.048 -10.953 -0.459 193 2HD1 ILE 25 2HD1 ILE 25 -0.118 -11.171 0.847 194 3HD1 ILE 25 3HD1 ILE 25 -0.269 -12.107 -0.640 195 H GLY 26 H GLY 26 4.781 -13.773 -1.707 196 1HA GLY 26 2HA GLY 26 7.354 -13.959 -0.406 197 2HA GLY 26 1HA GLY 26 7.061 -13.629 -2.111 198 H ASP 27 H ASP 27 9.027 -12.280 -0.762 199 HA ASP 27 HA ASP 27 8.120 -9.781 0.275 200 1HB ASP 27 2HB ASP 27 10.690 -11.094 -0.218 201 2HB ASP 27 1HB ASP 27 10.735 -9.357 -0.509 202 H TYR 28 H TYR 28 8.701 -10.998 -2.904 203 HA TYR 28 HA TYR 28 9.366 -8.801 -4.410 204 1HB TYR 28 2HB TYR 28 8.500 -11.293 -5.033 205 2HB TYR 28 1HB TYR 28 7.061 -10.365 -5.440 206 HD1 TYR 28 1HD TYR 28 8.708 -7.837 -6.210 207 HD2 TYR 28 2HD TYR 28 8.936 -11.929 -7.341 208 HE1 TYR 28 1HE TYR 28 9.710 -7.180 -8.341 209 HE2 TYR 28 2HE TYR 28 9.944 -11.283 -9.489 210 HH TYR 28 HH TYR 28 11.138 -9.452 -10.488 211 H TYR 29 H TYR 29 6.178 -9.738 -3.279 212 HA TYR 29 HA TYR 29 4.905 -7.411 -4.324 213 1HB TYR 29 2HB TYR 29 3.757 -9.407 -2.373 214 2HB TYR 29 1HB TYR 29 2.875 -8.340 -3.459 215 HD1 TYR 29 1HD TYR 29 4.956 -8.750 -5.779 216 HD2 TYR 29 2HD TYR 29 2.713 -11.421 -3.323 217 HE1 TYR 29 1HE TYR 29 5.103 -10.481 -7.520 218 HE2 TYR 29 2HE TYR 29 2.840 -13.145 -5.072 219 HH TYR 29 HH TYR 29 3.266 -12.841 -7.931 220 H ILE 30 H ILE 30 6.464 -8.082 -1.296 221 HA ILE 30 HA ILE 30 5.068 -5.999 0.127 222 HB ILE 30 HB ILE 30 6.369 -6.447 1.948 223 1HG1 ILE 30 2HG1 ILE 30 8.724 -7.574 1.634 224 2HG1 ILE 30 1HG1 ILE 30 8.599 -6.887 0.017 225 1HG2 ILE 30 1HG2 ILE 30 6.348 -8.914 0.284 226 2HG2 ILE 30 2HG2 ILE 30 5.394 -8.503 1.706 227 3HG2 ILE 30 3HG2 ILE 30 7.098 -8.921 1.878 228 1HD1 ILE 30 1HD1 ILE 30 9.501 -5.073 0.937 229 2HD1 ILE 30 2HD1 ILE 30 9.090 -5.583 2.575 230 3HD1 ILE 30 3HD1 ILE 30 7.879 -4.780 1.570 231 H LYS 31 H LYS 31 7.880 -6.366 -1.862 232 HA LYS 31 HA LYS 31 8.902 -3.710 -1.422 233 1HB LYS 31 2HB LYS 31 9.677 -6.102 -2.983 234 2HB LYS 31 1HB LYS 31 10.203 -4.552 -3.624 235 1HG LYS 31 2HG LYS 31 11.765 -4.297 -2.049 236 2HG LYS 31 1HG LYS 31 10.688 -4.843 -0.762 237 1HD LYS 31 2HD LYS 31 11.282 -7.092 -2.376 238 2HD LYS 31 1HD LYS 31 12.804 -6.260 -2.054 239 1HE LYS 31 2HE LYS 31 10.794 -7.147 0.012 240 2HE LYS 31 1HE LYS 31 12.330 -7.937 -0.344 241 1HZ LYS 31 1HZ LYS 31 12.490 -6.515 1.602 242 2HZ LYS 31 2HZ LYS 31 12.012 -5.171 0.694 243 3HZ LYS 31 3HZ LYS 31 13.483 -5.936 0.360 244 H LEU 32 H LEU 32 7.342 -5.446 -4.123 245 HA LEU 32 HA LEU 32 7.274 -3.380 -5.946 246 1HB LEU 32 2HB LEU 32 6.100 -4.828 -7.208 247 2HB LEU 32 1HB LEU 32 6.353 -5.943 -5.890 248 HG LEU 32 HG LEU 32 4.082 -6.108 -6.418 249 1HD1 LEU 32 1HD1 LEU 32 3.507 -6.048 -4.286 250 2HD1 LEU 32 2HD1 LEU 32 3.469 -4.282 -4.302 251 3HD1 LEU 32 3HD1 LEU 32 4.989 -5.129 -3.980 252 1HD2 LEU 32 1HD2 LEU 32 2.761 -4.456 -7.203 253 2HD2 LEU 32 2HD2 LEU 32 4.292 -3.631 -7.500 254 3HD2 LEU 32 3HD2 LEU 32 3.369 -3.279 -6.039 255 H ILE 33 H ILE 33 5.636 -3.656 -2.983 256 HA ILE 33 HA ILE 33 3.453 -1.885 -3.512 257 HB ILE 33 HB ILE 33 4.608 -3.266 -1.139 258 1HG1 ILE 33 2HG1 ILE 33 1.896 -2.984 -2.411 259 2HG1 ILE 33 1HG1 ILE 33 2.904 -4.419 -2.295 260 1HG2 ILE 33 1HG2 ILE 33 3.807 -0.607 -0.833 261 2HG2 ILE 33 2HG2 ILE 33 4.053 -1.804 0.432 262 3HG2 ILE 33 3HG2 ILE 33 2.452 -1.575 -0.263 263 1HD1 ILE 33 1HD1 ILE 33 2.256 -3.433 0.328 264 2HD1 ILE 33 2HD1 ILE 33 1.942 -5.010 -0.397 265 3HD1 ILE 33 3HD1 ILE 33 0.799 -3.688 -0.634 266 H ASN 34 H ASN 34 6.427 -1.586 -1.576 267 HA ASN 34 HA ASN 34 6.234 1.104 -0.955 268 1HB ASN 34 2HB ASN 34 8.021 -0.871 -0.422 269 2HB ASN 34 1HB ASN 34 8.963 0.137 -1.517 270 1HD2 ASN 34 1HD2 ASN 34 9.230 2.381 -0.966 271 2HD2 ASN 34 2HD2 ASN 34 9.218 2.861 0.694 272 H ASN 35 H ASN 35 7.033 -0.360 -3.986 273 HA ASN 35 HA ASN 35 8.463 1.825 -5.108 274 1HB ASN 35 2HB ASN 35 8.413 -0.624 -5.887 275 2HB ASN 35 1HB ASN 35 6.911 -0.202 -6.703 276 1HD2 ASN 35 1HD2 ASN 35 9.390 -1.067 -7.875 277 2HD2 ASN 35 2HD2 ASN 35 9.913 0.199 -8.929 278 H ALA 36 H ALA 36 5.091 1.210 -4.639 279 HA ALA 36 HA ALA 36 3.919 2.603 -6.716 280 1HB ALA 36 1HB ALA 36 2.086 2.041 -5.617 281 2HB ALA 36 2HB ALA 36 2.472 3.187 -4.333 282 3HB ALA 36 3HB ALA 36 3.078 1.534 -4.250 283 H LYS 37 H LYS 37 3.283 4.728 -7.061 284 HA LYS 37 HA LYS 37 4.913 6.717 -5.680 285 1HB LYS 37 2HB LYS 37 4.455 8.186 -7.538 286 2HB LYS 37 1HB LYS 37 4.950 6.614 -8.163 287 1HG LYS 37 2HG LYS 37 2.042 7.171 -7.838 288 2HG LYS 37 1HG LYS 37 2.911 7.912 -9.184 289 1HD LYS 37 2HD LYS 37 2.876 6.000 -10.319 290 2HD LYS 37 1HD LYS 37 3.633 5.143 -8.975 291 1HE LYS 37 2HE LYS 37 1.514 4.691 -7.975 292 2HE LYS 37 1HE LYS 37 0.688 5.758 -9.109 293 1HZ LYS 37 1HZ LYS 37 1.650 4.152 -10.866 294 2HZ LYS 37 2HZ LYS 37 0.285 3.683 -9.984 295 3HZ LYS 37 3HZ LYS 37 1.808 3.075 -9.570 296 H THR 38 H THR 38 2.112 5.426 -4.982 297 HA THR 38 HA THR 38 1.042 7.890 -3.845 298 HB THR 38 HB THR 38 -1.180 7.532 -4.630 299 HG1 THR 38 1HG THR 38 -1.881 5.681 -5.412 300 1HG2 THR 38 1HG2 THR 38 -1.006 8.069 -6.813 301 2HG2 THR 38 2HG2 THR 38 0.145 6.779 -7.158 302 3HG2 THR 38 3HG2 THR 38 0.688 8.260 -6.369 303 H VAL 39 H VAL 39 -1.419 6.382 -3.014 304 HA VAL 39 HA VAL 39 -0.205 4.378 -1.268 305 HB VAL 39 HB VAL 39 -0.594 6.734 -0.180 306 1HG1 VAL 39 1HG1 VAL 39 -2.989 6.827 -0.739 307 2HG1 VAL 39 2HG1 VAL 39 -2.685 6.886 0.999 308 3HG1 VAL 39 3HG1 VAL 39 -3.247 5.390 0.251 309 1HG2 VAL 39 1HG2 VAL 39 -0.911 3.972 0.832 310 2HG2 VAL 39 2HG2 VAL 39 -1.205 5.308 1.943 311 3HG2 VAL 39 3HG2 VAL 39 0.363 5.145 1.146 312 H GLU 40 H GLU 40 -3.239 5.758 -2.478 313 HA GLU 40 HA GLU 40 -5.021 3.855 -1.592 314 1HB GLU 40 2HB GLU 40 -4.905 5.646 -3.955 315 2HB GLU 40 1HB GLU 40 -6.077 4.337 -4.005 316 1HG GLU 40 2HG GLU 40 -7.410 5.835 -3.004 317 2HG GLU 40 1HG GLU 40 -6.565 5.314 -1.547 318 H GLY 41 H GLY 41 -2.771 3.656 -4.285 319 1HA GLY 41 2HA GLY 41 -3.808 1.095 -5.157 320 2HA GLY 41 1HA GLY 41 -2.409 1.935 -5.813 321 H VAL 42 H VAL 42 -1.204 2.304 -3.174 322 HA VAL 42 HA VAL 42 0.475 0.097 -3.072 323 HB VAL 42 HB VAL 42 -0.166 1.956 -0.783 324 1HG1 VAL 42 1HG1 VAL 42 2.237 1.373 -0.198 325 2HG1 VAL 42 2HG1 VAL 42 2.072 0.045 -1.351 326 3HG1 VAL 42 3HG1 VAL 42 1.021 0.117 0.072 327 1HG2 VAL 42 1HG2 VAL 42 1.428 3.441 -1.573 328 2HG2 VAL 42 2HG2 VAL 42 0.613 2.941 -3.056 329 3HG2 VAL 42 3HG2 VAL 42 2.171 2.241 -2.623 330 H GLU 43 H GLU 43 -2.288 0.862 -0.971 331 HA GLU 43 HA GLU 43 -2.077 -1.502 0.584 332 1HB GLU 43 2HB GLU 43 -4.649 -0.870 0.963 333 2HB GLU 43 1HB GLU 43 -3.337 0.000 1.743 334 1HG GLU 43 2HG GLU 43 -3.476 1.785 0.199 335 2HG GLU 43 1HG GLU 43 -4.549 0.871 -0.865 336 H SER 44 H SER 44 -4.429 -0.610 -1.941 337 HA SER 44 HA SER 44 -5.655 -3.122 -2.104 338 1HB SER 44 2HB SER 44 -6.028 -0.641 -3.269 339 2HB SER 44 1HB SER 44 -5.587 -1.666 -4.637 340 HG SER 44 HG SER 44 -7.376 -2.804 -4.387 341 H LEU 45 H LEU 45 -2.645 -1.962 -3.313 342 HA LEU 45 HA LEU 45 -2.188 -3.599 -5.510 343 1HB LEU 45 2HB LEU 45 -0.586 -2.052 -3.630 344 2HB LEU 45 1HB LEU 45 0.262 -3.469 -4.204 345 1HD1 LEU 45 1HD1 LEU 45 1.856 -2.093 -6.511 346 2HD1 LEU 45 2HD1 LEU 45 0.655 -2.982 -7.448 347 3HD1 LEU 45 3HD1 LEU 45 1.244 -3.638 -5.921 348 1HD2 LEU 45 1HD2 LEU 45 -1.387 -2.529 -7.362 349 2HD2 LEU 45 2HD2 LEU 45 -1.166 -0.794 -7.139 350 3HD2 LEU 45 3HD2 LEU 45 -2.219 -1.695 -6.051 351 H LYS 46 H LYS 46 -1.153 -4.222 -2.151 352 HA LYS 46 HA LYS 46 -0.424 -6.912 -2.674 353 1HB LYS 46 2HB LYS 46 0.636 -6.381 -0.769 354 2HB LYS 46 1HB LYS 46 -0.511 -5.117 -0.360 355 1HG LYS 46 2HG LYS 46 -1.216 -8.002 0.041 356 2HG LYS 46 1HG LYS 46 -0.215 -7.142 1.216 357 1HD LYS 46 2HD LYS 46 -2.017 -5.386 1.314 358 2HD LYS 46 1HD LYS 46 -3.027 -6.474 0.366 359 1HE LYS 46 2HE LYS 46 -3.404 -7.854 2.099 360 2HE LYS 46 1HE LYS 46 -1.765 -7.680 2.726 361 1HZ LYS 46 1HZ LYS 46 -2.359 -5.971 4.046 362 2HZ LYS 46 2HZ LYS 46 -3.904 -6.648 3.913 363 3HZ LYS 46 3HZ LYS 46 -3.470 -5.336 2.938 364 H ASN 47 H ASN 47 -3.342 -5.396 -1.367 365 HA ASN 47 HA ASN 47 -4.698 -7.765 -0.690 366 1HB ASN 47 2HB ASN 47 -5.325 -5.311 -0.151 367 2HB ASN 47 1HB ASN 47 -6.103 -5.304 -1.732 368 1HD2 ASN 47 1HD2 ASN 47 -7.655 -7.119 -2.104 369 2HD2 ASN 47 2HD2 ASN 47 -8.673 -7.571 -0.784 370 H GLU 48 H GLU 48 -4.127 -6.194 -3.726 371 HA GLU 48 HA GLU 48 -6.125 -7.683 -5.174 372 1HB GLU 48 2HB GLU 48 -4.069 -5.652 -5.818 373 2HB GLU 48 1HB GLU 48 -4.441 -6.789 -7.107 374 1HG GLU 48 2HG GLU 48 -6.930 -6.085 -6.276 375 2HG GLU 48 1HG GLU 48 -6.031 -4.591 -6.014 376 H ILE 49 H ILE 49 -2.715 -7.925 -4.458 377 HA ILE 49 HA ILE 49 -2.127 -10.047 -6.260 378 HB ILE 49 HB ILE 49 -0.045 -10.271 -5.153 379 1HG1 ILE 49 2HG1 ILE 49 -0.680 -8.549 -2.828 380 2HG1 ILE 49 1HG1 ILE 49 -1.325 -10.176 -2.788 381 1HG2 ILE 49 1HG2 ILE 49 -1.061 -7.686 -5.788 382 2HG2 ILE 49 2HG2 ILE 49 0.570 -8.322 -5.991 383 3HG2 ILE 49 3HG2 ILE 49 0.109 -7.548 -4.475 384 1HD1 ILE 49 1HD1 ILE 49 0.727 -11.114 -2.591 385 2HD1 ILE 49 2HD1 ILE 49 0.998 -9.573 -1.773 386 3HD1 ILE 49 3HD1 ILE 49 1.528 -9.793 -3.440 387 H LEU 50 H LEU 50 -3.509 -9.809 -3.113 388 HA LEU 50 HA LEU 50 -3.297 -12.615 -2.500 389 1HB LEU 50 2HB LEU 50 -4.724 -10.307 -1.176 390 2HB LEU 50 1HB LEU 50 -4.736 -11.942 -0.539 391 HG LEU 50 HG LEU 50 -2.070 -10.793 -1.082 392 1HD1 LEU 50 1HD1 LEU 50 -3.836 -9.767 1.126 393 2HD1 LEU 50 2HD1 LEU 50 -3.113 -8.837 -0.187 394 3HD1 LEU 50 3HD1 LEU 50 -2.086 -9.552 1.057 395 1HD2 LEU 50 1HD2 LEU 50 -1.862 -12.821 -0.065 396 2HD2 LEU 50 2HD2 LEU 50 -3.364 -12.643 0.845 397 3HD2 LEU 50 3HD2 LEU 50 -1.913 -11.787 1.364 398 H LYS 51 H LYS 51 -5.647 -10.401 -3.845 399 HA LYS 51 HA LYS 51 -7.931 -12.033 -3.634 400 1HB LYS 51 2HB LYS 51 -7.872 -9.589 -4.281 401 2HB LYS 51 1HB LYS 51 -7.328 -10.096 -5.874 402 1HG LYS 51 2HG LYS 51 -9.510 -10.056 -6.369 403 2HG LYS 51 1HG LYS 51 -9.530 -11.637 -5.584 404 1HD LYS 51 2HD LYS 51 -10.153 -10.573 -3.467 405 2HD LYS 51 1HD LYS 51 -10.137 -8.995 -4.257 406 1HE LYS 51 2HE LYS 51 -11.798 -11.035 -5.570 407 2HE LYS 51 1HE LYS 51 -12.341 -10.551 -3.963 408 1HZ LYS 51 1HZ LYS 51 -11.636 -8.513 -5.967 409 2HZ LYS 51 2HZ LYS 51 -12.670 -8.385 -4.635 410 3HZ LYS 51 3HZ LYS 51 -13.160 -9.250 -6.003 411 H ALA 52 H ALA 52 -5.124 -12.212 -5.599 412 HA ALA 52 HA ALA 52 -6.167 -14.599 -6.900 413 1HB ALA 52 1HB ALA 52 -4.953 -12.300 -8.429 414 2HB ALA 52 2HB ALA 52 -6.631 -12.840 -8.509 415 3HB ALA 52 3HB ALA 52 -5.340 -13.883 -9.105 416 H LEU 53 H LEU 53 -4.640 -15.308 -5.137 417 HA LEU 53 HA LEU 53 -1.819 -14.957 -5.695 418 1HB LEU 53 2HB LEU 53 -3.315 -15.505 -3.415 419 2HB LEU 53 1HB LEU 53 -2.476 -17.008 -3.743 420 HG LEU 53 HG LEU 53 -0.654 -14.779 -3.962 421 1HD1 LEU 53 1HD1 LEU 53 -0.854 -14.664 -1.254 422 2HD1 LEU 53 2HD1 LEU 53 -2.551 -14.717 -1.731 423 3HD1 LEU 53 3HD1 LEU 53 -1.496 -13.454 -2.364 424 1HD2 LEU 53 1HD2 LEU 53 0.754 -16.181 -2.838 425 2HD2 LEU 53 2HD2 LEU 53 -0.402 -17.359 -3.457 426 3HD2 LEU 53 3HD2 LEU 53 -0.520 -16.801 -1.788 427 HA PRO 54 HA PRO 54 -1.278 -18.516 -8.245 428 1HB PRO 54 2HB PRO 54 1.242 -19.277 -7.498 429 2HB PRO 54 1HB PRO 54 0.906 -17.915 -8.573 430 1HG PRO 54 2HG PRO 54 1.503 -17.913 -5.641 431 2HG PRO 54 1HG PRO 54 2.097 -16.820 -6.906 432 1HD PRO 54 2HD PRO 54 0.109 -16.114 -5.235 433 2HD PRO 54 1HD PRO 54 0.146 -15.579 -6.927 434 H THR 55 H THR 55 -0.973 -18.721 -4.792 435 HA THR 55 HA THR 55 -0.522 -21.446 -4.438 436 HB THR 55 HB THR 55 -2.291 -19.708 -2.711 437 HG1 THR 55 1HG THR 55 0.524 -20.028 -2.612 438 1HG2 THR 55 1HG2 THR 55 -2.267 -22.107 -2.126 439 2HG2 THR 55 2HG2 THR 55 -1.578 -21.069 -0.877 440 3HG2 THR 55 3HG2 THR 55 -0.517 -22.006 -1.930 441 H GLU 56 H GLU 56 -3.671 -19.764 -4.411 442 HA GLU 56 HA GLU 56 -5.138 -22.217 -4.529 443 1HB GLU 56 2HB GLU 56 -5.954 -20.064 -3.491 444 2HB GLU 56 1HB GLU 56 -6.171 -19.441 -5.120 445 1HG GLU 56 2HG GLU 56 -8.101 -20.506 -5.373 446 2HG GLU 56 1HG GLU 56 -7.432 -22.023 -4.773 Start of MODEL 21 1 1H MET 1 1HT MET 1 0.984 18.231 9.395 2 2H MET 1 2HT MET 1 -0.494 17.358 9.386 3 3H MET 1 3HT MET 1 0.374 17.557 10.850 4 HA MET 1 HA MET 1 -1.448 19.013 10.858 5 1HB MET 1 2HB MET 1 1.180 19.692 11.269 6 2HB MET 1 1HB MET 1 0.638 20.969 10.191 7 1HG MET 1 2HG MET 1 -1.055 21.639 11.703 8 2HG MET 1 1HG MET 1 -0.812 20.211 12.707 9 1HE MET 1 1HE MET 1 1.231 23.366 11.287 10 2HE MET 1 2HE MET 1 2.197 21.900 11.108 11 3HE MET 1 3HE MET 1 2.692 23.151 12.254 12 H GLU 2 H GLU 2 0.696 20.309 8.320 13 HA GLU 2 HA GLU 2 -1.718 21.029 6.793 14 1HB GLU 2 2HB GLU 2 -0.153 22.706 5.681 15 2HB GLU 2 1HB GLU 2 -0.590 23.031 7.350 16 1HG GLU 2 2HG GLU 2 1.509 22.527 8.147 17 2HG GLU 2 1HG GLU 2 1.911 21.528 6.750 18 H ALA 3 H ALA 3 1.342 19.380 6.709 19 HA ALA 3 HA ALA 3 0.598 18.102 4.218 20 1HB ALA 3 1HB ALA 3 2.343 18.803 2.879 21 2HB ALA 3 2HB ALA 3 3.317 19.350 4.248 22 3HB ALA 3 3HB ALA 3 1.914 20.286 3.733 23 H VAL 4 H VAL 4 0.600 16.142 5.244 24 HA VAL 4 HA VAL 4 3.201 14.980 5.769 25 HB VAL 4 HB VAL 4 2.452 14.027 7.969 26 1HG1 VAL 4 1HG1 VAL 4 4.003 16.005 7.664 27 2HG1 VAL 4 2HG1 VAL 4 3.205 15.878 9.233 28 3HG1 VAL 4 3HG1 VAL 4 2.617 17.032 8.035 29 1HG2 VAL 4 1HG2 VAL 4 0.721 15.756 9.034 30 2HG2 VAL 4 2HG2 VAL 4 0.215 14.256 8.248 31 3HG2 VAL 4 3HG2 VAL 4 0.148 15.789 7.372 32 H ASP 5 H ASP 5 1.074 14.622 3.823 33 HA ASP 5 HA ASP 5 -0.540 12.411 4.329 34 1HB ASP 5 2HB ASP 5 -0.287 14.089 2.246 35 2HB ASP 5 1HB ASP 5 0.573 12.694 1.593 36 H ALA 6 H ALA 6 2.848 12.620 3.592 37 HA ALA 6 HA ALA 6 3.355 10.067 2.618 38 1HB ALA 6 1HB ALA 6 4.889 12.204 3.104 39 2HB ALA 6 2HB ALA 6 5.542 10.598 2.811 40 3HB ALA 6 3HB ALA 6 5.365 11.189 4.462 41 H ASN 7 H ASN 7 2.782 11.168 5.892 42 HA ASN 7 HA ASN 7 3.732 8.893 7.256 43 1HB ASN 7 2HB ASN 7 1.651 10.950 8.001 44 2HB ASN 7 1HB ASN 7 2.189 9.684 9.099 45 1HD2 ASN 7 1HD2 ASN 7 2.475 12.248 9.844 46 2HD2 ASN 7 2HD2 ASN 7 4.136 12.715 9.823 47 H SER 8 H SER 8 0.484 9.775 6.116 48 HA SER 8 HA SER 8 -0.731 7.361 6.989 49 1HB SER 8 2HB SER 8 -1.711 9.757 6.187 50 2HB SER 8 1HB SER 8 -1.970 8.810 4.724 51 HG SER 8 HG SER 8 -3.659 8.830 6.478 52 H LEU 9 H LEU 9 0.874 8.405 4.078 53 HA LEU 9 HA LEU 9 0.018 6.314 2.383 54 1HB LEU 9 2HB LEU 9 1.059 8.489 1.675 55 2HB LEU 9 1HB LEU 9 2.604 7.860 2.214 56 HG LEU 9 HG LEU 9 0.922 6.620 0.036 57 1HD1 LEU 9 1HD1 LEU 9 3.324 8.406 -0.133 58 2HD1 LEU 9 2HD1 LEU 9 1.687 8.778 -0.673 59 3HD1 LEU 9 3HD1 LEU 9 2.625 7.531 -1.489 60 1HD2 LEU 9 1HD2 LEU 9 3.434 5.868 1.385 61 2HD2 LEU 9 2HD2 LEU 9 3.417 5.728 -0.372 62 3HD2 LEU 9 3HD2 LEU 9 2.222 4.861 0.593 63 H ALA 10 H ALA 10 2.893 6.788 4.395 64 HA ALA 10 HA ALA 10 4.219 4.413 3.686 65 1HB ALA 10 1HB ALA 10 5.231 4.858 6.109 66 2HB ALA 10 2HB ALA 10 4.470 6.425 5.836 67 3HB ALA 10 3HB ALA 10 5.674 5.819 4.699 68 H GLN 11 H GLN 11 1.494 4.927 5.711 69 HA GLN 11 HA GLN 11 1.881 2.570 7.312 70 1HB GLN 11 2HB GLN 11 0.709 4.350 8.363 71 2HB GLN 11 1HB GLN 11 -0.400 4.510 7.005 72 1HG GLN 11 2HG GLN 11 -1.267 2.272 7.509 73 2HG GLN 11 1HG GLN 11 -0.239 2.212 8.935 74 1HE2 GLN 11 1HE2 GLN 11 -1.678 2.262 10.548 75 2HE2 GLN 11 2HE2 GLN 11 -2.852 3.508 10.798 76 H ALA 12 H ALA 12 -0.162 3.506 4.567 77 HA ALA 12 HA ALA 12 -1.718 1.225 4.353 78 1HB ALA 12 1HB ALA 12 -1.483 3.456 2.894 79 2HB ALA 12 2HB ALA 12 -2.315 2.012 2.312 80 3HB ALA 12 3HB ALA 12 -0.645 2.324 1.829 81 H LYS 13 H LYS 13 1.580 1.816 3.374 82 HA LYS 13 HA LYS 13 1.886 -0.825 2.203 83 1HB LYS 13 2HB LYS 13 4.394 0.136 2.200 84 2HB LYS 13 1HB LYS 13 3.216 0.521 0.959 85 1HG LYS 13 2HG LYS 13 2.814 2.634 1.797 86 2HG LYS 13 1HG LYS 13 3.503 2.239 3.378 87 1HD LYS 13 2HD LYS 13 5.056 2.427 0.793 88 2HD LYS 13 1HD LYS 13 4.974 3.697 2.015 89 1HE LYS 13 2HE LYS 13 5.702 1.200 3.234 90 2HE LYS 13 1HE LYS 13 6.777 1.546 1.880 91 1HZ LYS 13 1HZ LYS 13 7.430 2.460 4.133 92 2HZ LYS 13 2HZ LYS 13 6.169 3.571 3.949 93 3HZ LYS 13 3HZ LYS 13 7.448 3.554 2.843 94 H GLU 14 H GLU 14 3.389 1.045 4.846 95 HA GLU 14 HA GLU 14 4.943 -0.942 5.975 96 1HB GLU 14 2HB GLU 14 5.058 1.346 6.768 97 2HB GLU 14 1HB GLU 14 3.389 1.286 7.319 98 1HG GLU 14 2HG GLU 14 4.672 -0.824 8.623 99 2HG GLU 14 1HG GLU 14 5.808 0.523 8.680 100 H ALA 15 H ALA 15 1.520 -0.309 6.230 101 HA ALA 15 HA ALA 15 1.071 -2.430 8.156 102 1HB ALA 15 1HB ALA 15 -1.066 -1.021 6.584 103 2HB ALA 15 2HB ALA 15 -0.275 -0.265 7.968 104 3HB ALA 15 3HB ALA 15 -1.179 -1.765 8.180 105 H ALA 16 H ALA 16 0.902 -1.963 4.699 106 HA ALA 16 HA ALA 16 -0.574 -4.347 4.139 107 1HB ALA 16 1HB ALA 16 0.296 -3.934 1.780 108 2HB ALA 16 2HB ALA 16 1.027 -2.469 2.429 109 3HB ALA 16 3HB ALA 16 -0.722 -2.682 2.491 110 H ILE 17 H ILE 17 2.772 -3.599 4.690 111 HA ILE 17 HA ILE 17 3.805 -5.967 3.448 112 HB ILE 17 HB ILE 17 5.261 -4.037 3.696 113 1HG1 ILE 17 2HG1 ILE 17 6.261 -6.232 5.516 114 2HG1 ILE 17 1HG1 ILE 17 6.196 -6.377 3.763 115 1HG2 ILE 17 1HG2 ILE 17 4.585 -4.331 6.584 116 2HG2 ILE 17 2HG2 ILE 17 4.656 -2.881 5.583 117 3HG2 ILE 17 3HG2 ILE 17 6.147 -3.656 6.121 118 1HD1 ILE 17 1HD1 ILE 17 7.539 -3.957 4.472 119 2HD1 ILE 17 2HD1 ILE 17 8.140 -5.350 3.571 120 3HD1 ILE 17 3HD1 ILE 17 8.259 -5.319 5.331 121 H LYS 18 H LYS 18 2.706 -5.040 6.636 122 HA LYS 18 HA LYS 18 3.690 -7.263 8.069 123 1HB LYS 18 2HB LYS 18 2.083 -4.990 8.595 124 2HB LYS 18 1HB LYS 18 1.156 -6.394 9.113 125 1HG LYS 18 2HG LYS 18 3.350 -7.091 10.301 126 2HG LYS 18 1HG LYS 18 3.789 -5.393 10.108 127 1HD LYS 18 2HD LYS 18 2.217 -4.676 11.590 128 2HD LYS 18 1HD LYS 18 1.093 -5.978 11.191 129 1HE LYS 18 2HE LYS 18 1.882 -6.313 13.428 130 2HE LYS 18 1HE LYS 18 2.585 -7.556 12.398 131 1HZ LYS 18 1HZ LYS 18 4.412 -6.882 13.554 132 2HZ LYS 18 2HZ LYS 18 3.880 -5.285 13.719 133 3HZ LYS 18 3HZ LYS 18 4.514 -5.816 12.245 134 H GLU 19 H GLU 19 0.872 -6.765 6.058 135 HA GLU 19 HA GLU 19 -0.473 -9.166 6.801 136 1HB GLU 19 2HB GLU 19 -0.868 -6.993 4.900 137 2HB GLU 19 1HB GLU 19 -1.288 -8.552 4.203 138 1HG GLU 19 2HG GLU 19 -3.287 -8.023 5.115 139 2HG GLU 19 1HG GLU 19 -2.561 -8.821 6.509 140 H LEU 20 H LEU 20 1.623 -8.247 4.097 141 HA LEU 20 HA LEU 20 1.599 -10.751 2.816 142 1HB LEU 20 2HB LEU 20 2.887 -8.247 2.470 143 2HB LEU 20 1HB LEU 20 4.134 -9.480 2.467 144 HG LEU 20 HG LEU 20 2.178 -10.535 0.824 145 1HD1 LEU 20 1HD1 LEU 20 0.876 -8.776 0.286 146 2HD1 LEU 20 2HD1 LEU 20 2.195 -8.416 -0.828 147 3HD1 LEU 20 3HD1 LEU 20 2.104 -7.593 0.730 148 1HD2 LEU 20 1HD2 LEU 20 4.424 -8.923 -0.288 149 2HD2 LEU 20 2HD2 LEU 20 3.808 -10.495 -0.799 150 3HD2 LEU 20 3HD2 LEU 20 4.758 -10.359 0.679 151 H LYS 21 H LYS 21 3.171 -9.596 5.650 152 HA LYS 21 HA LYS 21 5.182 -11.668 5.710 153 1HB LYS 21 2HB LYS 21 5.492 -9.357 6.682 154 2HB LYS 21 1HB LYS 21 4.364 -9.816 7.950 155 1HG LYS 21 2HG LYS 21 6.334 -11.843 7.778 156 2HG LYS 21 1HG LYS 21 7.160 -10.284 7.796 157 1HD LYS 21 2HD LYS 21 6.961 -10.743 10.052 158 2HD LYS 21 1HD LYS 21 5.532 -9.750 9.758 159 1HE LYS 21 2HE LYS 21 4.985 -12.542 9.260 160 2HE LYS 21 1HE LYS 21 5.616 -12.300 10.887 161 1HZ LYS 21 1HZ LYS 21 3.866 -10.345 10.826 162 2HZ LYS 21 2HZ LYS 21 3.430 -11.916 11.272 163 3HZ LYS 21 3HZ LYS 21 3.115 -11.366 9.704 164 H GLN 22 H GLN 22 2.090 -10.955 7.301 165 HA GLN 22 HA GLN 22 2.245 -13.340 8.929 166 1HB GLN 22 2HB GLN 22 -0.019 -12.729 9.672 167 2HB GLN 22 1HB GLN 22 1.102 -11.383 9.812 168 1HG GLN 22 2HG GLN 22 -0.072 -10.117 8.413 169 2HG GLN 22 1HG GLN 22 -0.297 -11.435 7.264 170 1HE2 GLN 22 1HE2 GLN 22 -1.807 -13.212 8.255 171 2HE2 GLN 22 2HE2 GLN 22 -3.293 -12.606 8.896 172 H TYR 23 H TYR 23 0.949 -12.433 5.844 173 HA TYR 23 HA TYR 23 -0.827 -14.674 5.588 174 1HB TYR 23 2HB TYR 23 0.139 -12.488 3.795 175 2HB TYR 23 1HB TYR 23 -0.548 -13.933 3.054 176 HD1 TYR 23 1HD TYR 23 -2.818 -14.700 4.393 177 HD2 TYR 23 2HD TYR 23 -1.320 -10.740 4.006 178 HE1 TYR 23 1HE TYR 23 -5.081 -13.817 4.749 179 HE2 TYR 23 2HE TYR 23 -3.577 -9.844 4.363 180 HH TYR 23 HH TYR 23 -6.162 -11.130 3.931 181 H GLY 24 H GLY 24 2.439 -13.867 4.528 182 1HA GLY 24 2HA GLY 24 4.121 -15.577 4.383 183 2HA GLY 24 1HA GLY 24 2.861 -16.721 3.945 184 H ILE 25 H ILE 25 2.111 -14.025 2.243 185 HA ILE 25 HA ILE 25 2.660 -15.071 -0.253 186 HB ILE 25 HB ILE 25 2.868 -12.126 -0.161 187 1HG1 ILE 25 2HG1 ILE 25 0.403 -13.562 0.853 188 2HG1 ILE 25 1HG1 ILE 25 1.368 -12.371 1.719 189 1HG2 ILE 25 1HG2 ILE 25 0.638 -13.164 -1.617 190 2HG2 ILE 25 2HG2 ILE 25 2.070 -14.140 -1.957 191 3HG2 ILE 25 3HG2 ILE 25 2.107 -12.397 -2.223 192 1HD1 ILE 25 1HD1 ILE 25 -0.576 -11.972 -0.502 193 2HD1 ILE 25 2HD1 ILE 25 0.718 -10.804 -0.248 194 3HD1 ILE 25 3HD1 ILE 25 -0.441 -11.130 1.041 195 H GLY 26 H GLY 26 4.114 -13.856 -1.945 196 1HA GLY 26 2HA GLY 26 6.822 -14.283 -1.072 197 2HA GLY 26 1HA GLY 26 6.302 -13.841 -2.695 198 H ASP 27 H ASP 27 8.541 -12.818 -1.153 199 HA ASP 27 HA ASP 27 8.048 -10.278 -0.066 200 1HB ASP 27 2HB ASP 27 10.504 -9.875 -0.673 201 2HB ASP 27 1HB ASP 27 10.163 -11.245 0.380 202 H TYR 28 H TYR 28 8.230 -11.364 -3.353 203 HA TYR 28 HA TYR 28 8.912 -9.165 -4.832 204 1HB TYR 28 2HB TYR 28 7.735 -11.551 -5.421 205 2HB TYR 28 1HB TYR 28 6.387 -10.452 -5.691 206 HD1 TYR 28 1HD TYR 28 8.062 -12.176 -7.724 207 HD2 TYR 28 2HD TYR 28 8.104 -8.082 -6.579 208 HE1 TYR 28 1HE TYR 28 8.966 -11.571 -9.930 209 HE2 TYR 28 2HE TYR 28 9.003 -7.466 -8.766 210 HH TYR 28 HH TYR 28 10.201 -8.441 -10.614 211 H TYR 29 H TYR 29 5.795 -9.866 -3.399 212 HA TYR 29 HA TYR 29 4.642 -7.395 -4.248 213 1HB TYR 29 2HB TYR 29 3.500 -9.460 -2.369 214 2HB TYR 29 1HB TYR 29 2.614 -8.195 -3.219 215 HD1 TYR 29 1HD TYR 29 3.764 -11.538 -3.407 216 HD2 TYR 29 2HD TYR 29 2.886 -8.134 -5.813 217 HE1 TYR 29 1HE TYR 29 3.630 -12.983 -5.388 218 HE2 TYR 29 2HE TYR 29 2.711 -9.583 -7.795 219 HH TYR 29 HH TYR 29 3.453 -11.730 -8.577 220 H ILE 30 H ILE 30 6.367 -8.325 -1.385 221 HA ILE 30 HA ILE 30 5.229 -6.251 0.245 222 HB ILE 30 HB ILE 30 6.699 -6.830 1.892 223 1HG1 ILE 30 2HG1 ILE 30 8.980 -7.965 1.293 224 2HG1 ILE 30 1HG1 ILE 30 8.701 -7.231 -0.283 225 1HG2 ILE 30 1HG2 ILE 30 5.653 -8.854 1.649 226 2HG2 ILE 30 2HG2 ILE 30 7.354 -9.306 1.632 227 3HG2 ILE 30 3HG2 ILE 30 6.453 -9.208 0.122 228 1HD1 ILE 30 1HD1 ILE 30 8.192 -5.165 1.424 229 2HD1 ILE 30 2HD1 ILE 30 9.715 -5.447 0.574 230 3HD1 ILE 30 3HD1 ILE 30 9.511 -6.017 2.232 231 H LYS 31 H LYS 31 7.764 -6.617 -2.075 232 HA LYS 31 HA LYS 31 8.923 -4.008 -1.660 233 1HB LYS 31 2HB LYS 31 9.445 -6.352 -3.412 234 2HB LYS 31 1HB LYS 31 10.023 -4.784 -3.956 235 1HG LYS 31 2HG LYS 31 11.849 -5.228 -2.760 236 2HG LYS 31 1HG LYS 31 10.862 -4.845 -1.348 237 1HD LYS 31 2HD LYS 31 10.165 -7.394 -1.626 238 2HD LYS 31 1HD LYS 31 11.752 -7.478 -2.395 239 1HE LYS 31 2HE LYS 31 11.625 -6.021 0.167 240 2HE LYS 31 1HE LYS 31 11.351 -7.759 0.254 241 1HZ LYS 31 1HZ LYS 31 13.456 -8.211 -0.563 242 2HZ LYS 31 2HZ LYS 31 13.734 -6.888 0.452 243 3HZ LYS 31 3HZ LYS 31 13.660 -6.667 -1.223 244 H LEU 32 H LEU 32 6.995 -5.631 -4.194 245 HA LEU 32 HA LEU 32 6.859 -3.565 -6.004 246 1HB LEU 32 2HB LEU 32 5.412 -4.885 -7.119 247 2HB LEU 32 1HB LEU 32 5.782 -6.045 -5.864 248 HG LEU 32 HG LEU 32 3.459 -6.082 -6.072 249 1HD1 LEU 32 1HD1 LEU 32 4.726 -5.128 -3.773 250 2HD1 LEU 32 2HD1 LEU 32 3.206 -6.032 -3.886 251 3HD1 LEU 32 3HD1 LEU 32 3.189 -4.266 -3.895 252 1HD2 LEU 32 1HD2 LEU 32 2.367 -4.396 -7.025 253 2HD2 LEU 32 2HD2 LEU 32 3.776 -3.351 -6.855 254 3HD2 LEU 32 3HD2 LEU 32 2.587 -3.446 -5.556 255 H ILE 33 H ILE 33 5.558 -3.668 -2.865 256 HA ILE 33 HA ILE 33 3.518 -1.666 -3.270 257 HB ILE 33 HB ILE 33 4.633 -3.094 -0.871 258 1HG1 ILE 33 2HG1 ILE 33 2.043 -3.030 -2.381 259 2HG1 ILE 33 1HG1 ILE 33 3.039 -4.410 -1.939 260 1HG2 ILE 33 1HG2 ILE 33 4.142 -1.408 0.483 261 2HG2 ILE 33 2HG2 ILE 33 2.452 -1.568 0.014 262 3HG2 ILE 33 3HG2 ILE 33 3.502 -0.454 -0.852 263 1HD1 ILE 33 1HD1 ILE 33 0.756 -3.379 -0.634 264 2HD1 ILE 33 2HD1 ILE 33 2.133 -3.202 0.455 265 3HD1 ILE 33 3HD1 ILE 33 1.732 -4.784 -0.208 266 H ASN 34 H ASN 34 6.557 -1.813 -1.402 267 HA ASN 34 HA ASN 34 6.716 0.831 -0.641 268 1HB ASN 34 2HB ASN 34 8.437 -1.432 -0.653 269 2HB ASN 34 1HB ASN 34 9.358 -0.062 -1.268 270 1HD2 ASN 34 1HD2 ASN 34 9.508 1.830 0.049 271 2HD2 ASN 34 2HD2 ASN 34 9.371 1.705 1.766 272 H ASN 35 H ASN 35 7.201 -0.504 -3.797 273 HA ASN 35 HA ASN 35 8.755 1.662 -4.834 274 1HB ASN 35 2HB ASN 35 7.587 -0.826 -5.857 275 2HB ASN 35 1HB ASN 35 7.621 0.483 -7.034 276 1HD2 ASN 35 1HD2 ASN 35 9.218 -0.191 -8.336 277 2HD2 ASN 35 2HD2 ASN 35 10.850 -0.452 -7.833 278 H ALA 36 H ALA 36 5.382 1.170 -4.289 279 HA ALA 36 HA ALA 36 4.268 2.764 -6.293 280 1HB ALA 36 1HB ALA 36 2.586 3.201 -4.203 281 2HB ALA 36 2HB ALA 36 3.394 1.711 -3.711 282 3HB ALA 36 3HB ALA 36 2.547 1.786 -5.255 283 H LYS 37 H LYS 37 3.473 4.899 -6.264 284 HA LYS 37 HA LYS 37 5.211 6.730 -4.778 285 1HB LYS 37 2HB LYS 37 3.640 6.927 -7.326 286 2HB LYS 37 1HB LYS 37 4.117 8.387 -6.470 287 1HG LYS 37 2HG LYS 37 5.737 7.923 -8.165 288 2HG LYS 37 1HG LYS 37 6.474 7.631 -6.588 289 1HD LYS 37 2HD LYS 37 7.057 5.869 -8.176 290 2HD LYS 37 1HD LYS 37 6.087 5.233 -6.847 291 1HE LYS 37 2HE LYS 37 4.354 4.713 -8.191 292 2HE LYS 37 1HE LYS 37 4.560 6.154 -9.185 293 1HZ LYS 37 1HZ LYS 37 5.862 5.069 -10.636 294 2HZ LYS 37 2HZ LYS 37 5.128 3.681 -10.007 295 3HZ LYS 37 3HZ LYS 37 6.649 4.162 -9.443 296 H THR 38 H THR 38 1.829 6.009 -5.421 297 HA THR 38 HA THR 38 0.970 8.090 -3.549 298 HB THR 38 HB THR 38 -1.031 6.340 -4.866 299 HG1 THR 38 1HG THR 38 0.681 8.075 -6.295 300 1HG2 THR 38 1HG2 THR 38 -2.332 8.229 -5.000 301 2HG2 THR 38 2HG2 THR 38 -0.947 9.319 -4.994 302 3HG2 THR 38 3HG2 THR 38 -1.436 8.501 -3.511 303 H VAL 39 H VAL 39 -1.511 6.544 -2.896 304 HA VAL 39 HA VAL 39 -0.339 4.411 -1.275 305 HB VAL 39 HB VAL 39 -0.799 6.684 -0.036 306 1HG1 VAL 39 1HG1 VAL 39 -3.432 5.269 0.255 307 2HG1 VAL 39 2HG1 VAL 39 -3.189 6.735 -0.697 308 3HG1 VAL 39 3HG1 VAL 39 -2.926 6.760 1.049 309 1HG2 VAL 39 1HG2 VAL 39 -1.403 5.157 1.979 310 2HG2 VAL 39 2HG2 VAL 39 0.152 4.965 1.162 311 3HG2 VAL 39 3HG2 VAL 39 -1.173 3.860 0.809 312 H GLU 40 H GLU 40 -3.353 5.842 -2.481 313 HA GLU 40 HA GLU 40 -5.147 3.890 -1.783 314 1HB GLU 40 2HB GLU 40 -4.960 5.874 -3.940 315 2HB GLU 40 1HB GLU 40 -5.978 4.494 -4.326 316 1HG GLU 40 2HG GLU 40 -6.829 5.104 -1.819 317 2HG GLU 40 1HG GLU 40 -6.414 6.697 -2.452 318 H GLY 41 H GLY 41 -2.740 3.798 -4.324 319 1HA GLY 41 2HA GLY 41 -3.711 1.270 -5.361 320 2HA GLY 41 1HA GLY 41 -2.275 2.137 -5.892 321 H VAL 42 H VAL 42 -1.105 2.448 -3.314 322 HA VAL 42 HA VAL 42 0.540 0.269 -3.115 323 HB VAL 42 HB VAL 42 -0.330 2.028 -0.823 324 1HG1 VAL 42 1HG1 VAL 42 0.814 0.477 0.338 325 2HG1 VAL 42 2HG1 VAL 42 2.225 1.321 -0.313 326 3HG1 VAL 42 3HG1 VAL 42 1.629 -0.141 -1.103 327 1HG2 VAL 42 1HG2 VAL 42 1.306 3.540 -1.413 328 2HG2 VAL 42 2HG2 VAL 42 0.730 3.029 -2.999 329 3HG2 VAL 42 3HG2 VAL 42 2.218 2.354 -2.337 330 H GLU 43 H GLU 43 -2.360 0.866 -1.139 331 HA GLU 43 HA GLU 43 -2.203 -1.601 0.258 332 1HB GLU 43 2HB GLU 43 -4.733 -1.031 0.669 333 2HB GLU 43 1HB GLU 43 -3.470 -0.058 1.409 334 1HG GLU 43 2HG GLU 43 -3.778 1.701 -0.084 335 2HG GLU 43 1HG GLU 43 -4.667 0.693 -1.228 336 H SER 44 H SER 44 -4.232 -0.538 -2.459 337 HA SER 44 HA SER 44 -5.609 -2.965 -2.783 338 1HB SER 44 2HB SER 44 -6.562 -1.994 -4.650 339 2HB SER 44 1HB SER 44 -6.004 -0.556 -3.794 340 HG SER 44 HG SER 44 -5.447 -1.070 -6.206 341 H LEU 45 H LEU 45 -2.429 -1.979 -3.661 342 HA LEU 45 HA LEU 45 -1.943 -3.696 -5.835 343 1HB LEU 45 2HB LEU 45 -0.169 -2.418 -3.783 344 2HB LEU 45 1HB LEU 45 0.487 -3.523 -4.972 345 1HD1 LEU 45 1HD1 LEU 45 1.042 -2.845 -7.072 346 2HD1 LEU 45 2HD1 LEU 45 1.939 -1.704 -6.067 347 3HD1 LEU 45 3HD1 LEU 45 1.034 -1.125 -7.465 348 1HD2 LEU 45 1HD2 LEU 45 -2.307 -1.586 -6.047 349 2HD2 LEU 45 2HD2 LEU 45 -1.432 -2.289 -7.406 350 3HD2 LEU 45 3HD2 LEU 45 -1.405 -0.546 -7.148 351 H LYS 46 H LYS 46 -0.995 -4.185 -2.411 352 HA LYS 46 HA LYS 46 -0.318 -6.920 -2.856 353 1HB LYS 46 2HB LYS 46 0.812 -6.352 -1.003 354 2HB LYS 46 1HB LYS 46 -0.288 -5.045 -0.605 355 1HG LYS 46 2HG LYS 46 -1.048 -7.897 -0.077 356 2HG LYS 46 1HG LYS 46 -0.004 -7.009 1.037 357 1HD LYS 46 2HD LYS 46 -1.793 -5.202 1.047 358 2HD LYS 46 1HD LYS 46 -2.838 -6.374 0.251 359 1HE LYS 46 2HE LYS 46 -3.085 -7.631 2.106 360 2HE LYS 46 1HE LYS 46 -1.448 -7.307 2.676 361 1HZ LYS 46 1HZ LYS 46 -3.040 -6.282 4.135 362 2HZ LYS 46 2HZ LYS 46 -3.771 -5.465 2.849 363 3HZ LYS 46 3HZ LYS 46 -2.194 -5.070 3.314 364 H ASN 47 H ASN 47 -3.143 -5.290 -1.447 365 HA ASN 47 HA ASN 47 -4.540 -7.582 -0.663 366 1HB ASN 47 2HB ASN 47 -5.103 -4.784 -0.927 367 2HB ASN 47 1HB ASN 47 -6.436 -5.685 -1.644 368 1HD2 ASN 47 1HD2 ASN 47 -6.002 -4.104 0.919 369 2HD2 ASN 47 2HD2 ASN 47 -6.624 -5.142 2.151 370 H GLU 48 H GLU 48 -4.017 -6.193 -3.802 371 HA GLU 48 HA GLU 48 -6.079 -7.714 -5.116 372 1HB GLU 48 2HB GLU 48 -3.861 -5.914 -6.008 373 2HB GLU 48 1HB GLU 48 -4.581 -7.009 -7.180 374 1HG GLU 48 2HG GLU 48 -6.576 -5.562 -5.649 375 2HG GLU 48 1HG GLU 48 -5.479 -4.491 -6.519 376 H ILE 49 H ILE 49 -2.637 -7.998 -4.514 377 HA ILE 49 HA ILE 49 -2.152 -10.237 -6.176 378 HB ILE 49 HB ILE 49 -0.073 -10.489 -5.057 379 1HG1 ILE 49 2HG1 ILE 49 -0.457 -8.582 -2.869 380 2HG1 ILE 49 1HG1 ILE 49 -1.419 -10.038 -2.699 381 1HG2 ILE 49 1HG2 ILE 49 -1.005 -7.891 -5.817 382 2HG2 ILE 49 2HG2 ILE 49 0.572 -8.635 -6.069 383 3HG2 ILE 49 3HG2 ILE 49 0.240 -7.757 -4.575 384 1HD1 ILE 49 1HD1 ILE 49 1.119 -9.731 -1.858 385 2HD1 ILE 49 2HD1 ILE 49 1.362 -10.496 -3.428 386 3HD1 ILE 49 3HD1 ILE 49 0.353 -11.277 -2.214 387 H LEU 50 H LEU 50 -3.526 -9.811 -3.049 388 HA LEU 50 HA LEU 50 -3.379 -12.571 -2.261 389 1HB LEU 50 2HB LEU 50 -4.778 -10.145 -1.146 390 2HB LEU 50 1HB LEU 50 -4.916 -11.734 -0.415 391 HG LEU 50 HG LEU 50 -2.158 -10.820 -0.886 392 1HD1 LEU 50 1HD1 LEU 50 -3.997 -9.390 1.011 393 2HD1 LEU 50 2HD1 LEU 50 -2.969 -8.702 -0.248 394 3HD1 LEU 50 3HD1 LEU 50 -2.243 -9.408 1.197 395 1HD2 LEU 50 1HD2 LEU 50 -2.296 -11.550 1.689 396 2HD2 LEU 50 2HD2 LEU 50 -2.107 -12.700 0.364 397 3HD2 LEU 50 3HD2 LEU 50 -3.702 -12.411 1.063 398 H LYS 51 H LYS 51 -5.721 -10.421 -3.752 399 HA LYS 51 HA LYS 51 -7.998 -12.045 -3.514 400 1HB LYS 51 2HB LYS 51 -7.257 -9.651 -4.903 401 2HB LYS 51 1HB LYS 51 -8.088 -10.716 -6.028 402 1HG LYS 51 2HG LYS 51 -9.180 -9.969 -3.327 403 2HG LYS 51 1HG LYS 51 -9.556 -9.101 -4.817 404 1HD LYS 51 2HD LYS 51 -10.064 -11.664 -5.558 405 2HD LYS 51 1HD LYS 51 -10.511 -11.709 -3.852 406 1HE LYS 51 2HE LYS 51 -11.745 -9.460 -4.484 407 2HE LYS 51 1HE LYS 51 -11.704 -10.172 -6.092 408 1HZ LYS 51 1HZ LYS 51 -12.907 -11.369 -3.660 409 2HZ LYS 51 2HZ LYS 51 -12.774 -12.164 -5.147 410 3HZ LYS 51 3HZ LYS 51 -13.730 -10.784 -5.008 411 H ALA 52 H ALA 52 -5.158 -12.338 -5.416 412 HA ALA 52 HA ALA 52 -6.154 -14.816 -6.567 413 1HB ALA 52 1HB ALA 52 -5.334 -14.242 -8.810 414 2HB ALA 52 2HB ALA 52 -4.957 -12.613 -8.245 415 3HB ALA 52 3HB ALA 52 -6.632 -13.166 -8.291 416 H LEU 53 H LEU 53 -4.546 -15.011 -4.572 417 HA LEU 53 HA LEU 53 -1.859 -14.619 -4.662 418 1HB LEU 53 2HB LEU 53 -3.629 -16.586 -3.410 419 2HB LEU 53 1HB LEU 53 -1.988 -17.163 -3.632 420 HG LEU 53 HG LEU 53 -2.377 -14.478 -2.396 421 1HD1 LEU 53 1HD1 LEU 53 -2.614 -17.029 -0.816 422 2HD1 LEU 53 2HD1 LEU 53 -3.996 -16.042 -1.293 423 3HD1 LEU 53 3HD1 LEU 53 -2.760 -15.373 -0.227 424 1HD2 LEU 53 1HD2 LEU 53 -0.333 -16.613 -2.501 425 2HD2 LEU 53 2HD2 LEU 53 -0.460 -15.706 -0.993 426 3HD2 LEU 53 3HD2 LEU 53 -0.148 -14.860 -2.509 427 HA PRO 54 HA PRO 54 -0.938 -17.131 -8.324 428 1HB PRO 54 2HB PRO 54 1.142 -15.705 -9.195 429 2HB PRO 54 1HB PRO 54 -0.511 -15.103 -9.370 430 1HG PRO 54 2HG PRO 54 1.579 -14.349 -7.373 431 2HG PRO 54 1HG PRO 54 0.410 -13.318 -8.216 432 1HD PRO 54 2HD PRO 54 0.123 -14.280 -5.626 433 2HD PRO 54 1HD PRO 54 -1.199 -13.688 -6.649 434 H THR 55 H THR 55 1.553 -17.652 -9.141 435 HA THR 55 HA THR 55 2.931 -18.730 -6.768 436 HB THR 55 HB THR 55 3.691 -20.459 -8.702 437 HG1 THR 55 1HG THR 55 2.080 -20.839 -10.103 438 1HG2 THR 55 1HG2 THR 55 1.050 -20.936 -7.400 439 2HG2 THR 55 2HG2 THR 55 2.529 -20.873 -6.442 440 3HG2 THR 55 3HG2 THR 55 2.360 -22.069 -7.726 441 H GLU 56 H GLU 56 3.353 -16.223 -8.314 442 HA GLU 56 HA GLU 56 5.058 -14.973 -9.149 443 1HB GLU 56 2HB GLU 56 6.060 -16.375 -7.035 444 2HB GLU 56 1HB GLU 56 7.183 -16.831 -8.308 445 1HG GLU 56 2HG GLU 56 8.054 -14.746 -8.482 446 2HG GLU 56 1HG GLU 56 6.542 -13.956 -8.039
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