NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
11864 | 1s6j | 6103 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H HIS 1 HT1 HIS 1 21.762 9.192 5.402 2 2H HIS 1 HT2 HIS 1 21.390 10.819 5.126 3 3H HIS 1 HT3 HIS 1 21.732 10.286 6.694 4 HA HIS 1 HA HIS 1 23.579 10.638 4.422 5 1HB HIS 1 HB2 HIS 1 23.603 11.550 7.310 6 2HB HIS 1 HB1 HIS 1 24.825 11.946 6.106 7 HD1 HIS 1 HD1 HIS 1 21.027 12.278 6.271 8 HD2 HIS 1 HD2 HIS 1 24.403 14.428 5.155 9 HE1 HIS 1 HE1 HIS 1 20.172 14.503 5.472 10 HE2 HIS 1 HE2 HIS 1 22.236 15.809 4.853 11 H SER 2 HN SER 2 24.614 8.768 4.023 12 HA SER 2 HA SER 2 26.331 7.678 6.046 13 1HB SER 2 HB2 SER 2 25.443 5.367 5.918 14 2HB SER 2 HB1 SER 2 24.278 6.488 6.623 15 HG SER 2 HG SER 2 23.905 4.902 4.576 16 H SER 3 HN SER 3 27.345 5.518 5.060 17 HA SER 3 HA SER 3 27.624 5.682 2.169 18 1HB SER 3 HB2 SER 3 30.083 5.842 2.276 19 2HB SER 3 HB1 SER 3 29.314 7.265 2.979 20 HG SER 3 HG SER 3 31.124 5.948 4.131 21 H GLY 4 HN GLY 4 26.933 3.838 4.613 22 1HA GLY 4 HA2 GLY 4 28.727 1.603 4.034 23 2HA GLY 4 HA1 GLY 4 27.536 1.670 5.324 24 H HIS 5 HN HIS 5 25.808 2.785 2.880 25 HA HIS 5 HA HIS 5 25.084 0.115 1.864 26 1HB HIS 5 HB2 HIS 5 23.168 2.353 2.556 27 2HB HIS 5 HB1 HIS 5 22.729 0.773 1.913 28 HD1 HIS 5 HD1 HIS 5 24.730 1.986 4.926 29 HD2 HIS 5 HD2 HIS 5 21.847 -0.824 3.897 30 HE1 HIS 5 HE1 HIS 5 24.193 0.764 7.057 31 HE2 HIS 5 HE2 HIS 5 22.415 -0.905 6.420 32 H ILE 6 HN ILE 6 25.244 3.574 1.276 33 HA ILE 6 HA ILE 6 24.515 3.235 -1.525 34 HB ILE 6 HB ILE 6 25.295 5.753 -0.044 35 1HG1 ILE 6 HG12 ILE 6 22.547 4.718 -0.784 36 2HG1 ILE 6 HG11 ILE 6 23.234 4.686 0.837 37 1HG2 ILE 6 HG21 ILE 6 25.648 5.909 -2.450 38 2HG2 ILE 6 HG22 ILE 6 24.287 6.914 -1.951 39 3HG2 ILE 6 HG23 ILE 6 23.996 5.364 -2.739 40 1HD1 ILE 6 HD11 ILE 6 23.049 6.971 1.097 41 2HD1 ILE 6 HD12 ILE 6 21.594 6.566 0.185 42 3HD1 ILE 6 HD13 ILE 6 22.986 7.268 -0.640 43 H ASP 7 HN ASP 7 26.244 2.096 -2.392 44 HA ASP 7 HA ASP 7 28.527 3.678 -3.106 45 1HB ASP 7 HB2 ASP 7 29.245 2.904 -0.885 46 2HB ASP 7 HB1 ASP 7 28.958 1.235 -1.370 47 H ASP 8 HN ASP 8 28.126 0.165 -2.741 48 HA ASP 8 HA ASP 8 28.542 -0.110 -5.630 49 1HB ASP 8 HB2 ASP 8 28.696 -2.187 -3.434 50 2HB ASP 8 HB1 ASP 8 29.037 -2.476 -5.137 51 H ASP 9 HN ASP 9 27.174 -1.382 -6.909 52 HA ASP 9 HA ASP 9 24.431 -1.162 -6.366 53 1HB ASP 9 HB2 ASP 9 25.846 -2.941 -8.363 54 2HB ASP 9 HB1 ASP 9 24.122 -2.580 -8.370 55 H ASP 10 HN ASP 10 26.723 -3.487 -5.376 56 HA ASP 10 HA ASP 10 25.168 -5.797 -5.161 57 1HB ASP 10 HB2 ASP 10 27.627 -5.727 -4.849 58 2HB ASP 10 HB1 ASP 10 27.389 -4.893 -3.317 59 H LYS 11 HN LYS 11 25.492 -3.033 -3.038 60 HA LYS 11 HA LYS 11 23.780 -4.191 -1.011 61 1HB LYS 11 HB2 LYS 11 24.954 -1.414 -1.256 62 2HB LYS 11 HB1 LYS 11 24.069 -2.017 0.138 63 1HG LYS 11 HG2 LYS 11 26.673 -3.123 -0.896 64 2HG LYS 11 HG1 LYS 11 26.483 -2.061 0.500 65 1HD LYS 11 HD2 LYS 11 25.275 -4.814 0.217 66 2HD LYS 11 HD1 LYS 11 26.723 -4.426 1.148 67 1HE LYS 11 HE2 LYS 11 23.955 -3.334 1.647 68 2HE LYS 11 HE1 LYS 11 24.745 -4.605 2.580 69 1HZ LYS 11 HZ1 LYS 11 25.745 -1.820 2.312 70 2HZ LYS 11 HZ2 LYS 11 26.427 -3.039 3.266 71 3HZ LYS 11 HZ3 LYS 11 24.899 -2.424 3.647 72 H HIS 12 HN HIS 12 23.443 -2.334 -3.852 73 HA HIS 12 HA HIS 12 20.978 -1.056 -3.135 74 1HB HIS 12 HB2 HIS 12 22.538 -1.335 -5.693 75 2HB HIS 12 HB1 HIS 12 20.965 -0.558 -5.640 76 HD1 HIS 12 HD1 HIS 12 20.965 1.373 -3.521 77 HD2 HIS 12 HD2 HIS 12 24.493 0.506 -5.537 78 HE1 HIS 12 HE1 HIS 12 22.468 3.350 -3.125 79 HE2 HIS 12 HE2 HIS 12 24.569 2.836 -4.419 80 H MET 13 HN MET 13 21.909 -4.129 -4.318 81 HA MET 13 HA MET 13 19.490 -4.747 -5.719 82 1HB MET 13 HB2 MET 13 21.651 -6.548 -4.610 83 2HB MET 13 HB1 MET 13 20.335 -7.086 -5.643 84 1HG MET 13 HG2 MET 13 21.140 -5.642 -7.433 85 2HG MET 13 HG1 MET 13 22.455 -5.088 -6.397 86 1HE MET 13 HE1 MET 13 24.716 -6.712 -8.489 87 2HE MET 13 HE2 MET 13 23.416 -5.530 -8.644 88 3HE MET 13 HE3 MET 13 23.312 -7.072 -9.494 89 H ALA 14 HN ALA 14 20.535 -4.872 -2.419 90 HA ALA 14 HA ALA 14 18.265 -6.537 -1.635 91 1HB ALA 14 HB1 ALA 14 19.651 -5.723 0.658 92 2HB ALA 14 HB2 ALA 14 20.883 -6.035 -0.565 93 3HB ALA 14 HB3 ALA 14 19.722 -7.294 -0.141 94 H GLU 15 HN GLU 15 18.800 -3.342 -2.215 95 HA GLU 15 HA GLU 15 16.734 -2.543 -0.274 96 1HB GLU 15 HB2 GLU 15 19.089 -0.897 -1.209 97 2HB GLU 15 HB1 GLU 15 17.793 -0.311 -0.177 98 1HG GLU 15 HG2 GLU 15 18.423 -1.950 1.531 99 2HG GLU 15 HG1 GLU 15 19.739 -2.506 0.498 100 H ARG 16 HN ARG 16 16.577 -3.429 -3.107 101 HA ARG 16 HA ARG 16 15.617 -0.965 -4.386 102 1HB ARG 16 HB2 ARG 16 15.620 -2.256 -6.478 103 2HB ARG 16 HB1 ARG 16 17.203 -2.249 -5.713 104 1HG ARG 16 HG2 ARG 16 16.864 -4.489 -4.891 105 2HG ARG 16 HG1 ARG 16 15.215 -4.502 -5.518 106 1HD ARG 16 HD2 ARG 16 16.743 -5.715 -6.991 107 2HD ARG 16 HD1 ARG 16 16.060 -4.300 -7.791 108 HE ARG 16 HE ARG 16 18.514 -3.594 -6.627 109 1HH1 ARG 16 HH11 ARG 16 17.240 -5.534 -9.226 110 2HH1 ARG 16 HH12 ARG 16 18.657 -5.378 -10.210 111 1HH2 ARG 16 HH21 ARG 16 20.384 -3.383 -7.916 112 2HH2 ARG 16 HH22 ARG 16 20.444 -4.154 -9.465 113 H LEU 17 HN LEU 17 14.498 -3.643 -2.698 114 HA LEU 17 HA LEU 17 11.878 -3.585 -4.016 115 1HB LEU 17 HB2 LEU 17 11.373 -5.647 -2.920 116 2HB LEU 17 HB1 LEU 17 12.954 -5.795 -3.659 117 HG LEU 17 HG LEU 17 12.530 -5.221 -0.724 118 1HD1 LEU 17 HD11 LEU 17 11.821 -7.541 -1.908 119 2HD1 LEU 17 HD12 LEU 17 12.434 -7.421 -0.259 120 3HD1 LEU 17 HD13 LEU 17 13.524 -7.855 -1.576 121 1HD2 LEU 17 HD21 LEU 17 14.881 -5.962 -0.556 122 2HD2 LEU 17 HD22 LEU 17 14.694 -4.502 -1.527 123 3HD2 LEU 17 HD23 LEU 17 14.953 -6.058 -2.315 124 H SER 18 HN SER 18 9.960 -3.305 -2.813 125 HA SER 18 HA SER 18 10.303 -1.540 -0.524 126 1HB SER 18 HB2 SER 18 7.877 -1.099 -0.806 127 2HB SER 18 HB1 SER 18 8.787 -0.808 -2.288 128 HG SER 18 HG SER 18 6.913 -1.999 -2.728 129 H GLU 19 HN GLU 19 10.508 -2.514 1.386 130 HA GLU 19 HA GLU 19 9.266 -5.060 1.927 131 1HB GLU 19 HB2 GLU 19 11.506 -4.563 2.790 132 2HB GLU 19 HB1 GLU 19 10.857 -3.225 3.729 133 1HG GLU 19 HG2 GLU 19 9.518 -4.786 5.039 134 2HG GLU 19 HG1 GLU 19 10.156 -6.130 4.092 135 H GLU 20 HN GLU 20 9.015 -1.778 3.310 136 HA GLU 20 HA GLU 20 6.602 -2.573 4.717 137 1HB GLU 20 HB2 GLU 20 6.759 -0.078 5.488 138 2HB GLU 20 HB1 GLU 20 7.844 -1.286 6.153 139 1HG GLU 20 HG2 GLU 20 9.531 -0.557 4.434 140 2HG GLU 20 HG1 GLU 20 8.455 0.789 4.070 141 H GLU 21 HN GLU 21 7.407 0.218 2.602 142 HA GLU 21 HA GLU 21 5.257 -0.186 0.853 143 1HB GLU 21 HB2 GLU 21 3.621 1.375 1.528 144 2HB GLU 21 HB1 GLU 21 4.002 0.448 2.970 145 1HG GLU 21 HG2 GLU 21 5.011 3.207 2.312 146 2HG GLU 21 HG1 GLU 21 3.755 2.805 3.478 147 H ILE 22 HN ILE 22 8.015 1.242 1.792 148 HA ILE 22 HA ILE 22 8.157 3.786 0.816 149 HB ILE 22 HB ILE 22 9.997 2.639 1.944 150 1HG1 ILE 22 HG12 ILE 22 10.334 4.661 0.355 151 2HG1 ILE 22 HG11 ILE 22 11.750 3.783 0.914 152 1HG2 ILE 22 HG21 ILE 22 11.498 1.274 0.227 153 2HG2 ILE 22 HG22 ILE 22 9.914 0.941 -0.474 154 3HG2 ILE 22 HG23 ILE 22 10.241 0.517 1.206 155 1HD1 ILE 22 HD11 ILE 22 11.344 4.475 -1.635 156 2HD1 ILE 22 HD12 ILE 22 10.588 2.882 -1.642 157 3HD1 ILE 22 HD13 ILE 22 12.273 3.056 -1.153 158 H GLY 23 HN GLY 23 7.836 0.852 -1.049 159 1HA GLY 23 HA2 GLY 23 8.816 1.624 -3.522 160 2HA GLY 23 HA1 GLY 23 7.461 0.531 -3.295 161 H GLY 24 HN GLY 24 5.345 1.760 -2.694 162 1HA GLY 24 HA2 GLY 24 5.014 3.819 -4.752 163 2HA GLY 24 HA1 GLY 24 3.723 2.902 -3.989 164 H LEU 25 HN LEU 25 5.517 3.665 -1.465 165 HA LEU 25 HA LEU 25 3.826 5.389 -0.218 166 1HB LEU 25 HB2 LEU 25 5.650 4.239 0.907 167 2HB LEU 25 HB1 LEU 25 6.824 5.246 0.081 168 HG LEU 25 HG LEU 25 5.870 7.229 1.265 169 1HD1 LEU 25 HD11 LEU 25 4.660 5.973 3.463 170 2HD1 LEU 25 HD12 LEU 25 3.894 5.301 2.023 171 3HD1 LEU 25 HD13 LEU 25 3.910 7.045 2.280 172 1HD2 LEU 25 HD21 LEU 25 6.593 5.918 3.621 173 2HD2 LEU 25 HD22 LEU 25 7.645 6.829 2.537 174 3HD2 LEU 25 HD23 LEU 25 7.467 5.086 2.335 175 H LYS 26 HN LYS 26 6.067 6.204 -2.718 176 HA LYS 26 HA LYS 26 5.974 9.035 -2.086 177 1HB LYS 26 HB2 LYS 26 7.357 7.545 -4.315 178 2HB LYS 26 HB1 LYS 26 7.483 9.278 -4.040 179 1HG LYS 26 HG2 LYS 26 8.441 8.817 -1.809 180 2HG LYS 26 HG1 LYS 26 8.395 7.093 -2.179 181 1HD LYS 26 HD2 LYS 26 9.923 9.180 -3.734 182 2HD LYS 26 HD1 LYS 26 10.621 8.064 -2.560 183 1HE LYS 26 HE2 LYS 26 9.900 6.172 -3.946 184 2HE LYS 26 HE1 LYS 26 9.228 7.299 -5.123 185 1HZ LYS 26 HZ1 LYS 26 12.062 7.504 -4.355 186 2HZ LYS 26 HZ2 LYS 26 11.307 7.978 -5.793 187 3HZ LYS 26 HZ3 LYS 26 11.581 6.338 -5.484 188 H GLU 27 HN GLU 27 5.401 7.242 -5.129 189 HA GLU 27 HA GLU 27 3.731 9.410 -6.072 190 1HB GLU 27 HB2 GLU 27 5.398 8.351 -7.530 191 2HB GLU 27 HB1 GLU 27 4.524 6.829 -7.409 192 1HG GLU 27 HG2 GLU 27 2.592 7.846 -8.497 193 2HG GLU 27 HG1 GLU 27 3.460 9.375 -8.614 194 H LEU 28 HN LEU 28 3.217 5.889 -6.244 195 HA LEU 28 HA LEU 28 0.457 6.117 -6.684 196 1HB LEU 28 HB2 LEU 28 2.070 3.759 -5.736 197 2HB LEU 28 HB1 LEU 28 0.403 3.673 -6.274 198 HG LEU 28 HG LEU 28 2.766 4.488 -7.971 199 1HD1 LEU 28 HD11 LEU 28 2.610 2.072 -7.358 200 2HD1 LEU 28 HD12 LEU 28 2.493 2.398 -9.087 201 3HD1 LEU 28 HD13 LEU 28 1.040 2.028 -8.160 202 1HD2 LEU 28 HD21 LEU 28 0.798 4.018 -9.724 203 2HD2 LEU 28 HD22 LEU 28 1.133 5.618 -9.061 204 3HD2 LEU 28 HD23 LEU 28 -0.159 4.632 -8.376 205 H PHE 29 HN PHE 29 1.927 4.565 -3.837 206 HA PHE 29 HA PHE 29 -0.199 4.158 -2.287 207 1HB PHE 29 HB2 PHE 29 2.252 3.763 -1.738 208 2HB PHE 29 HB1 PHE 29 2.264 5.397 -1.084 209 HD1 PHE 29 HD1 PHE 29 2.666 4.906 1.180 210 HD2 PHE 29 HD2 PHE 29 -0.544 3.011 -0.867 211 HE1 PHE 29 HE1 PHE 29 1.813 4.046 3.317 212 HE2 PHE 29 HE2 PHE 29 -1.404 2.150 1.264 213 HZ PHE 29 HZ PHE 29 -0.226 2.666 3.366 214 H LYS 30 HN LYS 30 1.462 7.327 -2.356 215 HA LYS 30 HA LYS 30 -0.275 8.574 -0.523 216 1HB LYS 30 HB2 LYS 30 1.427 9.736 -2.728 217 2HB LYS 30 HB1 LYS 30 0.551 10.715 -1.560 218 1HG LYS 30 HG2 LYS 30 1.823 9.688 0.256 219 2HG LYS 30 HG1 LYS 30 2.704 8.710 -0.918 220 1HD LYS 30 HD2 LYS 30 4.040 10.626 -0.281 221 2HD LYS 30 HD1 LYS 30 3.546 10.779 -1.968 222 1HE LYS 30 HE2 LYS 30 3.332 12.904 -0.785 223 2HE LYS 30 HE1 LYS 30 1.760 12.307 -1.315 224 1HZ LYS 30 HZ1 LYS 30 2.827 11.920 1.426 225 2HZ LYS 30 HZ2 LYS 30 1.257 11.599 0.885 226 3HZ LYS 30 HZ3 LYS 30 1.805 13.196 0.988 227 H MET 31 HN MET 31 -0.315 8.440 -4.059 228 HA MET 31 HA MET 31 -2.579 10.076 -4.430 229 1HB MET 31 HB2 MET 31 -1.003 9.575 -6.232 230 2HB MET 31 HB1 MET 31 -1.469 7.881 -6.190 231 1HG MET 31 HG2 MET 31 -3.724 8.476 -6.896 232 2HG MET 31 HG1 MET 31 -3.271 10.179 -6.920 233 1HE MET 31 HE1 MET 31 -1.387 11.104 -8.230 234 2HE MET 31 HE2 MET 31 -0.966 10.591 -9.863 235 3HE MET 31 HE3 MET 31 -0.151 9.870 -8.475 236 H ILE 32 HN ILE 32 -2.308 6.914 -3.200 237 HA ILE 32 HA ILE 32 -5.014 6.159 -3.996 238 HB ILE 32 HB ILE 32 -2.993 4.627 -2.351 239 1HG1 ILE 32 HG12 ILE 32 -3.817 4.308 -5.248 240 2HG1 ILE 32 HG11 ILE 32 -2.290 4.985 -4.694 241 1HG2 ILE 32 HG21 ILE 32 -5.738 3.961 -3.360 242 2HG2 ILE 32 HG22 ILE 32 -5.078 3.780 -1.734 243 3HG2 ILE 32 HG23 ILE 32 -4.552 2.699 -3.024 244 1HD1 ILE 32 HD11 ILE 32 -2.926 2.302 -3.678 245 2HD1 ILE 32 HD12 ILE 32 -1.404 2.966 -4.272 246 3HD1 ILE 32 HD13 ILE 32 -2.632 2.420 -5.413 247 H ASP 33 HN ASP 33 -3.123 6.696 -1.053 248 HA ASP 33 HA ASP 33 -5.250 6.341 0.760 249 1HB ASP 33 HB2 ASP 33 -2.839 6.284 1.382 250 2HB ASP 33 HB1 ASP 33 -2.755 8.021 1.113 251 H THR 34 HN THR 34 -7.046 7.534 0.786 252 HA THR 34 HA THR 34 -7.297 10.096 -0.357 253 HB THR 34 HB THR 34 -9.028 8.798 1.766 254 HG1 THR 34 HG1 THR 34 -9.709 8.840 -0.937 255 1HG2 THR 34 HG21 THR 34 -10.842 10.143 0.643 256 2HG2 THR 34 HG22 THR 34 -9.552 11.087 -0.100 257 3HG2 THR 34 HG23 THR 34 -9.713 11.043 1.655 258 H ASP 35 HN ASP 35 -5.809 9.073 2.437 259 HA ASP 35 HA ASP 35 -6.181 11.571 3.894 260 1HB ASP 35 HB2 ASP 35 -6.295 9.263 4.990 261 2HB ASP 35 HB1 ASP 35 -4.550 9.203 4.774 262 H ASN 36 HN ASN 36 -3.873 9.882 1.929 263 HA ASN 36 HA ASN 36 -1.773 10.399 1.225 264 1HB ASN 36 HB2 ASN 36 -2.591 13.219 1.969 265 2HB ASN 36 HB1 ASN 36 -1.262 12.774 0.903 266 1HD2 ASN 36 HD21 ASN 36 -4.311 13.889 0.937 267 2HD2 ASN 36 HD22 ASN 36 -4.852 13.349 -0.612 268 H SER 37 HN SER 37 -2.428 9.987 4.188 269 HA SER 37 HA SER 37 -0.248 11.427 5.480 270 1HB SER 37 HB2 SER 37 -1.031 10.311 7.542 271 2HB SER 37 HB1 SER 37 -2.348 11.146 6.719 272 HG SER 37 HG SER 37 -1.957 8.450 7.157 273 H GLY 38 HN GLY 38 -0.877 8.441 3.967 274 1HA GLY 38 HA2 GLY 38 1.073 7.130 3.289 275 2HA GLY 38 HA1 GLY 38 1.765 7.454 4.871 276 H THR 39 HN THR 39 -1.551 6.816 4.979 277 HA THR 39 HA THR 39 -1.284 3.936 5.213 278 HB THR 39 HB THR 39 -2.283 3.918 7.497 279 HG1 THR 39 HG1 THR 39 -2.121 5.896 8.685 280 1HG2 THR 39 HG21 THR 39 -0.333 4.212 8.714 281 2HG2 THR 39 HG22 THR 39 0.242 5.508 7.665 282 3HG2 THR 39 HG23 THR 39 0.241 3.841 7.089 283 H ILE 40 HN ILE 40 -3.110 2.964 4.516 284 HA ILE 40 HA ILE 40 -5.462 4.685 4.125 285 HB ILE 40 HB ILE 40 -4.632 2.123 2.754 286 1HG1 ILE 40 HG12 ILE 40 -5.124 4.845 1.560 287 2HG1 ILE 40 HG11 ILE 40 -3.534 4.337 2.129 288 1HG2 ILE 40 HG21 ILE 40 -7.047 2.128 3.051 289 2HG2 ILE 40 HG22 ILE 40 -6.628 2.384 1.357 290 3HG2 ILE 40 HG23 ILE 40 -7.143 3.745 2.354 291 1HD1 ILE 40 HD11 ILE 40 -4.964 3.652 -0.310 292 2HD1 ILE 40 HD12 ILE 40 -4.265 2.261 0.518 293 3HD1 ILE 40 HD13 ILE 40 -3.237 3.614 0.047 294 H THR 41 HN THR 41 -7.449 4.118 4.913 295 HA THR 41 HA THR 41 -7.640 1.598 6.421 296 HB THR 41 HB THR 41 -8.959 2.774 8.143 297 HG1 THR 41 HG1 THR 41 -9.639 4.518 6.787 298 1HG2 THR 41 HG21 THR 41 -7.085 4.381 8.945 299 2HG2 THR 41 HG22 THR 41 -6.166 3.664 7.622 300 3HG2 THR 41 HG23 THR 41 -6.804 2.641 8.910 301 H PHE 42 HN PHE 42 -9.616 0.566 6.312 302 HA PHE 42 HA PHE 42 -11.129 0.486 4.146 303 1HB PHE 42 HB2 PHE 42 -11.398 -1.083 5.966 304 2HB PHE 42 HB1 PHE 42 -12.102 0.165 6.988 305 HD1 PHE 42 HD1 PHE 42 -14.284 -0.404 7.398 306 HD2 PHE 42 HD2 PHE 42 -12.749 -0.792 3.452 307 HE1 PHE 42 HE1 PHE 42 -16.523 -1.003 6.590 308 HE2 PHE 42 HE2 PHE 42 -14.981 -1.391 2.636 309 HZ PHE 42 HZ PHE 42 -16.882 -1.499 4.201 310 H ASP 43 HN ASP 43 -12.019 2.530 6.945 311 HA ASP 43 HA ASP 43 -14.321 3.669 5.996 312 1HB ASP 43 HB2 ASP 43 -13.424 4.113 8.240 313 2HB ASP 43 HB1 ASP 43 -12.126 5.074 7.538 314 H GLU 44 HN GLU 44 -11.008 4.545 5.238 315 HA GLU 44 HA GLU 44 -11.812 6.684 3.455 316 1HB GLU 44 HB2 GLU 44 -9.053 5.537 3.913 317 2HB GLU 44 HB1 GLU 44 -9.446 7.081 3.170 318 1HG GLU 44 HG2 GLU 44 -10.352 7.866 5.300 319 2HG GLU 44 HG1 GLU 44 -9.932 6.325 6.042 320 H LEU 45 HN LEU 45 -10.740 3.361 3.298 321 HA LEU 45 HA LEU 45 -9.886 3.127 0.709 322 1HB LEU 45 HB2 LEU 45 -9.802 1.305 2.345 323 2HB LEU 45 HB1 LEU 45 -11.543 1.121 2.230 324 HG LEU 45 HG LEU 45 -11.295 0.525 -0.165 325 1HD1 LEU 45 HD11 LEU 45 -9.396 1.265 -1.102 326 2HD1 LEU 45 HD12 LEU 45 -8.728 -0.256 -0.510 327 3HD1 LEU 45 HD13 LEU 45 -8.505 1.226 0.419 328 1HD2 LEU 45 HD21 LEU 45 -9.499 -1.425 1.047 329 2HD2 LEU 45 HD22 LEU 45 -11.127 -1.627 0.400 330 3HD2 LEU 45 HD23 LEU 45 -10.899 -1.040 2.047 331 H LYS 46 HN LYS 46 -13.207 2.567 1.855 332 HA LYS 46 HA LYS 46 -14.447 2.127 -0.556 333 1HB LYS 46 HB2 LYS 46 -16.525 2.898 0.538 334 2HB LYS 46 HB1 LYS 46 -15.599 1.794 1.545 335 1HG LYS 46 HG2 LYS 46 -14.757 3.658 2.854 336 2HG LYS 46 HG1 LYS 46 -15.619 4.794 1.817 337 1HD LYS 46 HD2 LYS 46 -16.866 4.429 3.865 338 2HD LYS 46 HD1 LYS 46 -17.751 3.760 2.493 339 1HE LYS 46 HE2 LYS 46 -17.821 2.243 4.396 340 2HE LYS 46 HE1 LYS 46 -16.934 1.525 3.053 341 1HZ LYS 46 HZ1 LYS 46 -15.149 2.940 4.712 342 2HZ LYS 46 HZ2 LYS 46 -15.176 1.287 4.353 343 3HZ LYS 46 HZ3 LYS 46 -16.064 1.881 5.664 344 H ASP 47 HN ASP 47 -13.782 5.237 1.007 345 HA ASP 47 HA ASP 47 -15.170 6.964 -0.607 346 1HB ASP 47 HB2 ASP 47 -12.411 7.369 0.563 347 2HB ASP 47 HB1 ASP 47 -13.451 8.654 -0.043 348 H GLY 48 HN GLY 48 -12.586 4.949 -1.541 349 1HA GLY 48 HA2 GLY 48 -11.582 6.552 -3.693 350 2HA GLY 48 HA1 GLY 48 -11.271 4.840 -3.436 351 H LEU 49 HN LEU 49 -13.516 3.560 -3.669 352 HA LEU 49 HA LEU 49 -14.309 4.028 -6.424 353 1HB LEU 49 HB2 LEU 49 -14.883 1.776 -4.499 354 2HB LEU 49 HB1 LEU 49 -15.543 1.849 -6.120 355 HG LEU 49 HG LEU 49 -13.647 0.364 -6.096 356 1HD1 LEU 49 HD11 LEU 49 -12.290 1.355 -7.838 357 2HD1 LEU 49 HD12 LEU 49 -12.890 2.961 -7.423 358 3HD1 LEU 49 HD13 LEU 49 -13.990 1.754 -8.088 359 1HD2 LEU 49 HD21 LEU 49 -11.483 2.162 -5.651 360 2HD2 LEU 49 HD22 LEU 49 -11.893 0.685 -4.780 361 3HD2 LEU 49 HD23 LEU 49 -12.573 2.229 -4.267 362 H LYS 50 HN LYS 50 -15.413 4.806 -3.344 363 HA LYS 50 HA LYS 50 -18.218 4.676 -3.774 364 1HB LYS 50 HB2 LYS 50 -17.327 4.735 -1.514 365 2HB LYS 50 HB1 LYS 50 -16.603 6.309 -1.811 366 1HG LYS 50 HG2 LYS 50 -18.621 6.527 -0.491 367 2HG LYS 50 HG1 LYS 50 -18.831 7.285 -2.071 368 1HD LYS 50 HD2 LYS 50 -20.009 5.266 -2.854 369 2HD LYS 50 HD1 LYS 50 -19.840 4.562 -1.244 370 1HE LYS 50 HE2 LYS 50 -21.320 7.101 -1.928 371 2HE LYS 50 HE1 LYS 50 -22.055 5.542 -1.557 372 1HZ LYS 50 HZ1 LYS 50 -21.937 6.001 0.592 373 2HZ LYS 50 HZ2 LYS 50 -21.353 7.545 0.225 374 3HZ LYS 50 HZ3 LYS 50 -20.270 6.276 0.503 375 H ARG 51 HN ARG 51 -15.918 7.388 -3.761 376 HA ARG 51 HA ARG 51 -17.729 9.361 -4.584 377 1HB ARG 51 HB2 ARG 51 -15.490 9.823 -3.630 378 2HB ARG 51 HB1 ARG 51 -14.753 9.233 -5.113 379 1HG ARG 51 HG2 ARG 51 -15.771 11.034 -6.373 380 2HG ARG 51 HG1 ARG 51 -16.600 11.603 -4.923 381 1HD ARG 51 HD2 ARG 51 -13.612 11.475 -5.315 382 2HD ARG 51 HD1 ARG 51 -14.601 12.932 -5.397 383 HE ARG 51 HE ARG 51 -15.023 11.690 -2.919 384 1HH1 ARG 51 HH11 ARG 51 -12.530 13.393 -4.661 385 2HH1 ARG 51 HH12 ARG 51 -11.771 14.006 -3.230 386 1HH2 ARG 51 HH21 ARG 51 -14.029 12.492 -1.032 387 2HH2 ARG 51 HH22 ARG 51 -12.620 13.490 -1.168 388 H VAL 52 HN VAL 52 -16.341 6.766 -6.301 389 HA VAL 52 HA VAL 52 -16.350 7.882 -8.918 390 HB VAL 52 HB VAL 52 -16.546 4.984 -8.079 391 1HG1 VAL 52 HG11 VAL 52 -15.282 5.618 -10.632 392 2HG1 VAL 52 HG12 VAL 52 -16.998 6.019 -10.572 393 3HG1 VAL 52 HG13 VAL 52 -16.464 4.374 -10.227 394 1HG2 VAL 52 HG21 VAL 52 -14.251 4.867 -8.024 395 2HG2 VAL 52 HG22 VAL 52 -14.520 6.487 -7.381 396 3HG2 VAL 52 HG23 VAL 52 -14.045 6.274 -9.067 397 H GLY 53 HN GLY 53 -18.746 6.320 -6.907 398 1HA GLY 53 HA2 GLY 53 -20.961 5.789 -7.258 399 2HA GLY 53 HA1 GLY 53 -20.987 7.362 -8.035 400 H SER 54 HN SER 54 -19.515 4.256 -9.004 401 HA SER 54 HA SER 54 -20.697 4.603 -11.647 402 1HB SER 54 HB2 SER 54 -18.315 4.003 -11.497 403 2HB SER 54 HB1 SER 54 -18.741 2.521 -10.640 404 HG SER 54 HG SER 54 -20.143 2.717 -12.930 405 H GLU 55 HN GLU 55 -20.095 1.414 -10.399 406 HA GLU 55 HA GLU 55 -22.912 0.905 -9.902 407 1HB GLU 55 HB2 GLU 55 -23.171 -0.819 -11.513 408 2HB GLU 55 HB1 GLU 55 -22.506 0.559 -12.373 409 1HG GLU 55 HG2 GLU 55 -20.949 -1.840 -11.431 410 2HG GLU 55 HG1 GLU 55 -21.499 -1.551 -13.078 411 H LEU 56 HN LEU 56 -20.285 0.891 -8.481 412 HA LEU 56 HA LEU 56 -19.919 -1.914 -7.809 413 1HB LEU 56 HB2 LEU 56 -18.496 0.600 -6.983 414 2HB LEU 56 HB1 LEU 56 -18.159 -0.956 -6.248 415 HG LEU 56 HG LEU 56 -17.824 -0.299 -9.181 416 1HD1 LEU 56 HD11 LEU 56 -15.888 -0.454 -6.893 417 2HD1 LEU 56 HD12 LEU 56 -16.126 0.857 -8.049 418 3HD1 LEU 56 HD13 LEU 56 -15.379 -0.654 -8.569 419 1HD2 LEU 56 HD21 LEU 56 -17.609 -2.801 -7.596 420 2HD2 LEU 56 HD22 LEU 56 -16.419 -2.524 -8.868 421 3HD2 LEU 56 HD23 LEU 56 -18.138 -2.555 -9.260 422 H MET 57 HN MET 57 -19.847 -2.612 -5.596 423 HA MET 57 HA MET 57 -21.809 -1.202 -3.921 424 1HB MET 57 HB2 MET 57 -22.431 -3.408 -3.001 425 2HB MET 57 HB1 MET 57 -22.741 -3.291 -4.727 426 1HG MET 57 HG2 MET 57 -20.572 -4.479 -5.106 427 2HG MET 57 HG1 MET 57 -20.488 -4.741 -3.365 428 1HE MET 57 HE1 MET 57 -22.693 -5.278 -2.190 429 2HE MET 57 HE2 MET 57 -23.069 -6.992 -2.367 430 3HE MET 57 HE3 MET 57 -24.145 -5.778 -3.058 431 H GLU 58 HN GLU 58 -21.107 -0.520 -2.039 432 HA GLU 58 HA GLU 58 -18.469 -0.607 -1.206 433 1HB GLU 58 HB2 GLU 58 -20.934 -0.200 0.493 434 2HB GLU 58 HB1 GLU 58 -19.295 0.220 0.966 435 1HG GLU 58 HG2 GLU 58 -20.804 1.404 -1.354 436 2HG GLU 58 HG1 GLU 58 -20.576 2.163 0.220 437 H SER 59 HN SER 59 -20.670 -3.123 -1.133 438 HA SER 59 HA SER 59 -19.930 -4.404 1.293 439 1HB SER 59 HB2 SER 59 -21.143 -5.565 -1.226 440 2HB SER 59 HB1 SER 59 -21.042 -6.390 0.329 441 HG SER 59 HG SER 59 -22.495 -4.996 1.176 442 H GLU 60 HN GLU 60 -18.566 -4.272 -1.884 443 HA GLU 60 HA GLU 60 -16.853 -6.560 -1.490 444 1HB GLU 60 HB2 GLU 60 -16.929 -4.465 -3.670 445 2HB GLU 60 HB1 GLU 60 -15.900 -5.886 -3.681 446 1HG GLU 60 HG2 GLU 60 -17.874 -7.323 -3.692 447 2HG GLU 60 HG1 GLU 60 -18.907 -5.894 -3.688 448 H ILE 61 HN ILE 61 -16.810 -3.188 -0.881 449 HA ILE 61 HA ILE 61 -14.017 -2.727 -0.933 450 HB ILE 61 HB ILE 61 -16.069 -1.288 0.750 451 1HG1 ILE 61 HG12 ILE 61 -16.769 -1.322 -1.596 452 2HG1 ILE 61 HG11 ILE 61 -16.243 0.293 -1.134 453 1HG2 ILE 61 HG21 ILE 61 -13.431 -1.037 0.963 454 2HG2 ILE 61 HG22 ILE 61 -14.525 0.336 1.127 455 3HG2 ILE 61 HG23 ILE 61 -13.688 0.052 -0.400 456 1HD1 ILE 61 HD11 ILE 61 -14.329 0.175 -2.422 457 2HD1 ILE 61 HD12 ILE 61 -15.514 -0.682 -3.408 458 3HD1 ILE 61 HD13 ILE 61 -14.338 -1.588 -2.457 459 H LYS 62 HN LYS 62 -16.185 -4.068 1.467 460 HA LYS 62 HA LYS 62 -14.182 -3.943 3.555 461 1HB LYS 62 HB2 LYS 62 -15.850 -4.979 4.985 462 2HB LYS 62 HB1 LYS 62 -16.551 -3.623 4.119 463 1HG LYS 62 HG2 LYS 62 -18.213 -5.184 3.947 464 2HG LYS 62 HG1 LYS 62 -17.336 -5.450 2.441 465 1HD LYS 62 HD2 LYS 62 -17.779 -7.592 3.365 466 2HD LYS 62 HD1 LYS 62 -16.066 -7.271 3.629 467 1HE LYS 62 HE2 LYS 62 -18.231 -6.844 5.686 468 2HE LYS 62 HE1 LYS 62 -17.210 -8.277 5.590 469 1HZ LYS 62 HZ1 LYS 62 -15.335 -6.448 5.672 470 2HZ LYS 62 HZ2 LYS 62 -16.034 -7.065 7.083 471 3HZ LYS 62 HZ3 LYS 62 -16.543 -5.573 6.471 472 H ASP 63 HN ASP 63 -15.564 -6.331 1.371 473 HA ASP 63 HA ASP 63 -14.213 -8.558 2.567 474 1HB ASP 63 HB2 ASP 63 -15.518 -8.232 -0.145 475 2HB ASP 63 HB1 ASP 63 -14.858 -9.750 0.455 476 H LEU 64 HN LEU 64 -13.426 -6.082 0.336 477 HA LEU 64 HA LEU 64 -11.118 -7.465 -0.755 478 1HB LEU 64 HB2 LEU 64 -12.671 -5.781 -1.981 479 2HB LEU 64 HB1 LEU 64 -11.764 -4.551 -1.122 480 HG LEU 64 HG LEU 64 -10.470 -6.583 -2.941 481 1HD1 LEU 64 HD11 LEU 64 -10.821 -5.287 -4.741 482 2HD1 LEU 64 HD12 LEU 64 -10.677 -3.789 -3.821 483 3HD1 LEU 64 HD13 LEU 64 -12.195 -4.687 -3.812 484 1HD2 LEU 64 HD21 LEU 64 -8.771 -4.578 -2.940 485 2HD2 LEU 64 HD22 LEU 64 -8.754 -5.781 -1.651 486 3HD2 LEU 64 HD23 LEU 64 -9.531 -4.220 -1.389 487 H MET 65 HN MET 65 -11.890 -4.866 1.497 488 HA MET 65 HA MET 65 -9.267 -3.989 2.013 489 1HB MET 65 HB2 MET 65 -11.244 -2.693 2.640 490 2HB MET 65 HB1 MET 65 -11.714 -3.938 3.788 491 1HG MET 65 HG2 MET 65 -10.692 -2.007 4.877 492 2HG MET 65 HG1 MET 65 -9.767 -3.486 5.138 493 1HE MET 65 HE1 MET 65 -8.722 -1.030 5.962 494 2HE MET 65 HE2 MET 65 -7.395 -0.321 5.041 495 3HE MET 65 HE3 MET 65 -7.233 -1.942 5.719 496 H ASP 66 HN ASP 66 -11.302 -6.414 3.626 497 HA ASP 66 HA ASP 66 -9.451 -7.051 5.664 498 1HB ASP 66 HB2 ASP 66 -11.850 -7.607 5.793 499 2HB ASP 66 HB1 ASP 66 -11.646 -8.772 4.489 500 H ALA 67 HN ALA 67 -10.054 -8.462 2.470 501 HA ALA 67 HA ALA 67 -8.172 -10.577 2.765 502 1HB ALA 67 HB1 ALA 67 -9.737 -11.048 1.147 503 2HB ALA 67 HB2 ALA 67 -8.372 -10.529 0.159 504 3HB ALA 67 HB3 ALA 67 -9.700 -9.416 0.482 505 H ALA 68 HN ALA 68 -7.967 -7.266 1.671 506 HA ALA 68 HA ALA 68 -5.438 -7.484 0.385 507 1HB ALA 68 HB1 ALA 68 -5.461 -5.098 0.286 508 2HB ALA 68 HB2 ALA 68 -6.660 -5.002 1.576 509 3HB ALA 68 HB3 ALA 68 -7.109 -5.661 0.003 510 H ASP 69 HN ASP 69 -6.301 -5.872 3.456 511 HA ASP 69 HA ASP 69 -3.535 -6.069 4.333 512 1HB ASP 69 HB2 ASP 69 -4.661 -3.958 4.722 513 2HB ASP 69 HB1 ASP 69 -5.952 -4.769 5.607 514 H ILE 70 HN ILE 70 -3.096 -8.115 4.882 515 HA ILE 70 HA ILE 70 -4.920 -9.712 6.451 516 HB ILE 70 HB ILE 70 -3.543 -10.713 4.658 517 1HG1 ILE 70 HG12 ILE 70 -2.929 -11.784 7.422 518 2HG1 ILE 70 HG11 ILE 70 -4.402 -12.100 6.512 519 1HG2 ILE 70 HG21 ILE 70 -1.541 -9.265 5.145 520 2HG2 ILE 70 HG22 ILE 70 -1.198 -10.966 4.828 521 3HG2 ILE 70 HG23 ILE 70 -1.183 -10.356 6.483 522 1HD1 ILE 70 HD11 ILE 70 -3.214 -13.362 4.885 523 2HD1 ILE 70 HD12 ILE 70 -2.719 -13.938 6.477 524 3HD1 ILE 70 HD13 ILE 70 -1.659 -12.871 5.556 525 H ASP 71 HN ASP 71 -2.449 -7.478 7.032 526 HA ASP 71 HA ASP 71 -1.301 -8.530 9.385 527 1HB ASP 71 HB2 ASP 71 -0.340 -6.659 8.057 528 2HB ASP 71 HB1 ASP 71 -1.644 -5.622 8.625 529 H LYS 72 HN LYS 72 -4.426 -7.634 8.803 530 HA LYS 72 HA LYS 72 -6.218 -6.995 10.057 531 1HB LYS 72 HB2 LYS 72 -4.752 -8.700 12.071 532 2HB LYS 72 HB1 LYS 72 -6.469 -8.316 12.100 533 1HG LYS 72 HG2 LYS 72 -5.092 -9.813 9.884 534 2HG LYS 72 HG1 LYS 72 -5.966 -10.563 11.211 535 1HD LYS 72 HD2 LYS 72 -7.140 -8.650 9.198 536 2HD LYS 72 HD1 LYS 72 -7.342 -10.403 9.183 537 1HE LYS 72 HE2 LYS 72 -8.477 -10.302 11.338 538 2HE LYS 72 HE1 LYS 72 -8.242 -8.555 11.393 539 1HZ LYS 72 HZ1 LYS 72 -9.499 -8.642 9.139 540 2HZ LYS 72 HZ2 LYS 72 -10.366 -8.717 10.588 541 3HZ LYS 72 HZ3 LYS 72 -10.064 -10.131 9.710 542 H SER 73 HN SER 73 -3.918 -5.189 10.194 543 HA SER 73 HA SER 73 -3.905 -4.212 12.930 544 1HB SER 73 HB2 SER 73 -2.369 -2.484 12.083 545 2HB SER 73 HB1 SER 73 -1.840 -4.098 11.610 546 HG SER 73 HG SER 73 -2.785 -3.714 9.559 547 H GLY 74 HN GLY 74 -6.007 -3.973 10.409 548 1HA GLY 74 HA2 GLY 74 -7.966 -2.702 10.338 549 2HA GLY 74 HA1 GLY 74 -7.307 -1.659 11.593 550 H THR 75 HN THR 75 -4.808 -1.749 9.692 551 HA THR 75 HA THR 75 -5.767 0.274 7.785 552 HB THR 75 HB THR 75 -3.235 0.416 9.437 553 HG1 THR 75 HG1 THR 75 -4.320 1.668 10.713 554 1HG2 THR 75 HG21 THR 75 -4.153 2.761 7.921 555 2HG2 THR 75 HG22 THR 75 -3.441 1.453 6.977 556 3HG2 THR 75 HG23 THR 75 -2.520 2.202 8.281 557 H ILE 76 HN ILE 76 -5.175 -0.115 5.749 558 HA ILE 76 HA ILE 76 -3.374 -2.334 5.217 559 HB ILE 76 HB ILE 76 -5.476 -2.304 4.010 560 1HG1 ILE 76 HG12 ILE 76 -3.114 -1.703 2.212 561 2HG1 ILE 76 HG11 ILE 76 -3.532 -3.278 2.879 562 1HG2 ILE 76 HG21 ILE 76 -4.703 0.481 3.494 563 2HG2 ILE 76 HG22 ILE 76 -6.302 -0.249 3.632 564 3HG2 ILE 76 HG23 ILE 76 -5.407 -0.365 2.117 565 1HD1 ILE 76 HD11 ILE 76 -4.733 -3.673 1.070 566 2HD1 ILE 76 HD12 ILE 76 -4.428 -2.042 0.473 567 3HD1 ILE 76 HD13 ILE 76 -5.811 -2.353 1.522 568 H ASP 77 HN ASP 77 -1.467 -2.227 4.156 569 HA ASP 77 HA ASP 77 -0.461 0.456 3.446 570 1HB ASP 77 HB2 ASP 77 1.116 -1.840 4.636 571 2HB ASP 77 HB1 ASP 77 1.784 -0.288 4.142 572 H TYR 78 HN TYR 78 1.323 0.383 1.807 573 HA TYR 78 HA TYR 78 0.500 -1.029 -0.475 574 1HB TYR 78 HB2 TYR 78 1.825 1.084 -0.518 575 2HB TYR 78 HB1 TYR 78 3.230 0.175 0.024 576 HD1 TYR 78 HD1 TYR 78 4.744 0.096 -1.727 577 HD2 TYR 78 HD2 TYR 78 0.625 -0.595 -2.540 578 HE1 TYR 78 HE1 TYR 78 5.299 -0.444 -4.061 579 HE2 TYR 78 HE2 TYR 78 1.170 -1.138 -4.875 580 HH TYR 78 HH TYR 78 2.861 -1.637 -6.303 581 H GLY 79 HN GLY 79 2.768 -1.812 2.047 582 1HA GLY 79 HA2 GLY 79 3.925 -4.036 0.599 583 2HA GLY 79 HA1 GLY 79 4.280 -3.568 2.254 584 H GLU 80 HN GLU 80 1.148 -3.558 2.500 585 HA GLU 80 HA GLU 80 1.039 -6.277 3.500 586 1HB GLU 80 HB2 GLU 80 -1.120 -4.164 3.574 587 2HB GLU 80 HB1 GLU 80 -1.033 -5.626 4.547 588 1HG GLU 80 HG2 GLU 80 0.898 -3.322 4.688 589 2HG GLU 80 HG1 GLU 80 -0.430 -3.617 5.809 590 H PHE 81 HN PHE 81 -0.271 -4.381 0.885 591 HA PHE 81 HA PHE 81 -2.230 -6.340 0.116 592 1HB PHE 81 HB2 PHE 81 -2.590 -3.952 -0.315 593 2HB PHE 81 HB1 PHE 81 -1.176 -3.920 -1.362 594 HD1 PHE 81 HD1 PHE 81 -1.835 -3.597 -3.528 595 HD2 PHE 81 HD2 PHE 81 -4.063 -6.266 -1.077 596 HE1 PHE 81 HE1 PHE 81 -3.252 -4.177 -5.456 597 HE2 PHE 81 HE2 PHE 81 -5.483 -6.855 -3.000 598 HZ PHE 81 HZ PHE 81 -5.078 -5.810 -5.193 599 H ILE 82 HN ILE 82 1.018 -5.428 -0.907 600 HA ILE 82 HA ILE 82 1.081 -7.066 -3.221 601 HB ILE 82 HB ILE 82 3.551 -6.772 -3.113 602 1HG1 ILE 82 HG12 ILE 82 4.293 -4.976 -1.414 603 2HG1 ILE 82 HG11 ILE 82 2.843 -5.414 -0.520 604 1HG2 ILE 82 HG21 ILE 82 3.442 -4.234 -3.316 605 2HG2 ILE 82 HG22 ILE 82 1.726 -4.400 -2.946 606 3HG2 ILE 82 HG23 ILE 82 2.399 -5.180 -4.378 607 1HD1 ILE 82 HD11 ILE 82 3.892 -7.130 0.393 608 2HD1 ILE 82 HD12 ILE 82 5.370 -6.626 -0.427 609 3HD1 ILE 82 HD13 ILE 82 4.284 -7.783 -1.197 610 H ALA 83 HN ALA 83 1.327 -7.768 0.105 611 HA ALA 83 HA ALA 83 3.050 -9.908 0.263 612 1HB ALA 83 HB1 ALA 83 1.386 -10.756 2.046 613 2HB ALA 83 HB2 ALA 83 0.511 -9.263 1.707 614 3HB ALA 83 HB3 ALA 83 2.175 -9.197 2.288 615 H ALA 84 HN ALA 84 0.072 -9.737 -1.440 616 HA ALA 84 HA ALA 84 -0.806 -12.371 -1.418 617 1HB ALA 84 HB1 ALA 84 -1.188 -11.364 -4.036 618 2HB ALA 84 HB2 ALA 84 -1.350 -10.014 -2.912 619 3HB ALA 84 HB3 ALA 84 -2.352 -11.452 -2.713 620 H THR 85 HN THR 85 0.440 -14.094 -1.751 621 HA THR 85 HA THR 85 2.160 -14.123 -4.143 622 HB THR 85 HB THR 85 2.719 -15.447 -1.479 623 HG1 THR 85 HG1 THR 85 4.650 -13.897 -1.942 624 1HG2 THR 85 HG21 THR 85 4.791 -15.205 -3.577 625 2HG2 THR 85 HG22 THR 85 3.580 -16.474 -3.759 626 3HG2 THR 85 HG23 THR 85 4.588 -16.417 -2.313 627 H VAL 86 HN VAL 86 2.355 -16.133 -5.229 628 HA VAL 86 HA VAL 86 1.527 -18.033 -6.165 629 HB VAL 86 HB VAL 86 0.709 -18.715 -3.336 630 1HG1 VAL 86 HG11 VAL 86 0.152 -20.768 -4.038 631 2HG1 VAL 86 HG12 VAL 86 1.523 -20.863 -5.143 632 3HG1 VAL 86 HG13 VAL 86 0.047 -20.033 -5.638 633 1HG2 VAL 86 HG21 VAL 86 3.256 -18.200 -4.241 634 2HG2 VAL 86 HG22 VAL 86 3.128 -19.954 -4.383 635 3HG2 VAL 86 HG23 VAL 86 2.838 -19.171 -2.829 636 H HIS 87 HN HIS 87 -0.083 -16.885 -7.328 637 HA HIS 87 HA HIS 87 -2.807 -17.262 -6.267 638 1HB HIS 87 HB2 HIS 87 -2.229 -14.884 -6.410 639 2HB HIS 87 HB1 HIS 87 -1.811 -15.077 -8.109 640 HD1 HIS 87 HD1 HIS 87 -4.901 -15.847 -6.004 641 HD2 HIS 87 HD2 HIS 87 -3.824 -14.191 -9.661 642 HE1 HIS 87 HE1 HIS 87 -7.060 -15.146 -7.088 643 HE2 HIS 87 HE2 HIS 87 -6.387 -14.180 -9.315 Start of MODEL 2 1 1H HIS 1 HT1 HIS 1 -36.434 -7.668 0.848 2 2H HIS 1 HT2 HIS 1 -36.245 -6.396 1.945 3 3H HIS 1 HT3 HIS 1 -36.862 -7.880 2.472 4 HA HIS 1 HA HIS 1 -34.608 -7.723 3.179 5 1HB HIS 1 HB2 HIS 1 -33.719 -9.738 2.048 6 2HB HIS 1 HB1 HIS 1 -35.415 -9.915 2.481 7 HD1 HIS 1 HD1 HIS 1 -37.035 -9.072 0.280 8 HD2 HIS 1 HD2 HIS 1 -33.270 -10.682 -0.431 9 HE1 HIS 1 HE1 HIS 1 -37.080 -9.858 -2.108 10 HE2 HIS 1 HE2 HIS 1 -34.806 -10.867 -2.505 11 H SER 2 HN SER 2 -32.284 -7.900 2.402 12 HA SER 2 HA SER 2 -31.796 -5.713 0.544 13 1HB SER 2 HB2 SER 2 -29.877 -7.252 2.312 14 2HB SER 2 HB1 SER 2 -29.476 -5.817 1.368 15 HG SER 2 HG SER 2 -31.602 -5.735 3.202 16 H SER 3 HN SER 3 -29.956 -5.924 -1.002 17 HA SER 3 HA SER 3 -30.303 -8.347 -2.557 18 1HB SER 3 HB2 SER 3 -28.739 -5.823 -3.151 19 2HB SER 3 HB1 SER 3 -29.004 -7.147 -4.286 20 HG SER 3 HG SER 3 -30.980 -6.474 -4.613 21 H GLY 4 HN GLY 4 -28.344 -7.502 -0.067 22 1HA GLY 4 HA2 GLY 4 -26.715 -9.129 0.687 23 2HA GLY 4 HA1 GLY 4 -26.241 -9.352 -0.991 24 H HIS 5 HN HIS 5 -26.687 -6.144 -0.738 25 HA HIS 5 HA HIS 5 -23.857 -5.687 -0.074 26 1HB HIS 5 HB2 HIS 5 -25.704 -4.093 -1.863 27 2HB HIS 5 HB1 HIS 5 -24.042 -3.650 -1.483 28 HD1 HIS 5 HD1 HIS 5 -22.352 -5.904 -2.049 29 HD2 HIS 5 HD2 HIS 5 -25.808 -5.289 -4.271 30 HE1 HIS 5 HE1 HIS 5 -22.006 -7.170 -4.193 31 HE2 HIS 5 HE2 HIS 5 -24.077 -6.720 -5.555 32 H ILE 6 HN ILE 6 -26.941 -3.880 -0.039 33 HA ILE 6 HA ILE 6 -26.025 -2.143 2.051 34 HB ILE 6 HB ILE 6 -28.806 -2.519 0.929 35 1HG1 ILE 6 HG12 ILE 6 -27.187 -1.754 -0.751 36 2HG1 ILE 6 HG11 ILE 6 -28.334 -0.480 -0.353 37 1HG2 ILE 6 HG21 ILE 6 -28.340 0.073 2.034 38 2HG2 ILE 6 HG22 ILE 6 -27.964 -1.152 3.246 39 3HG2 ILE 6 HG23 ILE 6 -29.554 -1.125 2.483 40 1HD1 ILE 6 HD11 ILE 6 -26.280 0.006 1.390 41 2HD1 ILE 6 HD12 ILE 6 -26.540 0.818 -0.154 42 3HD1 ILE 6 HD13 ILE 6 -25.442 -0.559 -0.056 43 H ASP 7 HN ASP 7 -25.505 -3.491 3.789 44 HA ASP 7 HA ASP 7 -27.837 -4.485 5.267 45 1HB ASP 7 HB2 ASP 7 -25.235 -5.988 4.909 46 2HB ASP 7 HB1 ASP 7 -26.536 -6.465 5.995 47 H ASP 8 HN ASP 8 -24.314 -4.456 5.796 48 HA ASP 8 HA ASP 8 -24.766 -3.260 8.418 49 1HB ASP 8 HB2 ASP 8 -22.245 -4.393 7.185 50 2HB ASP 8 HB1 ASP 8 -22.399 -3.816 8.842 51 H ASP 9 HN ASP 9 -21.694 -2.676 6.998 52 HA ASP 9 HA ASP 9 -22.210 -0.189 5.763 53 1HB ASP 9 HB2 ASP 9 -21.251 1.312 7.465 54 2HB ASP 9 HB1 ASP 9 -22.724 0.539 8.043 55 H ASP 10 HN ASP 10 -20.550 -2.738 5.768 56 HA ASP 10 HA ASP 10 -17.850 -1.623 5.710 57 1HB ASP 10 HB2 ASP 10 -18.802 -4.477 5.403 58 2HB ASP 10 HB1 ASP 10 -17.117 -3.968 5.434 59 H LYS 11 HN LYS 11 -20.374 -2.707 3.620 60 HA LYS 11 HA LYS 11 -18.657 -2.838 1.283 61 1HB LYS 11 HB2 LYS 11 -21.655 -3.115 1.557 62 2HB LYS 11 HB1 LYS 11 -20.752 -3.367 0.071 63 1HG LYS 11 HG2 LYS 11 -20.413 -4.966 2.600 64 2HG LYS 11 HG1 LYS 11 -21.339 -5.470 1.184 65 1HD LYS 11 HD2 LYS 11 -19.292 -5.347 -0.175 66 2HD LYS 11 HD1 LYS 11 -18.378 -4.889 1.264 67 1HE LYS 11 HE2 LYS 11 -18.951 -7.016 2.314 68 2HE LYS 11 HE1 LYS 11 -19.895 -7.470 0.896 69 1HZ LYS 11 HZ1 LYS 11 -18.044 -7.894 -0.318 70 2HZ LYS 11 HZ2 LYS 11 -17.405 -8.225 1.213 71 3HZ LYS 11 HZ3 LYS 11 -17.099 -6.735 0.474 72 H HIS 12 HN HIS 12 -20.553 -0.526 2.939 73 HA HIS 12 HA HIS 12 -21.004 1.170 0.642 74 1HB HIS 12 HB2 HIS 12 -22.618 1.083 2.523 75 2HB HIS 12 HB1 HIS 12 -21.391 1.766 3.585 76 HD1 HIS 12 HD1 HIS 12 -22.861 2.779 0.213 77 HD2 HIS 12 HD2 HIS 12 -21.830 4.405 3.895 78 HE1 HIS 12 HE1 HIS 12 -23.443 5.220 0.056 79 HE2 HIS 12 HE2 HIS 12 -22.714 6.202 2.259 80 H MET 13 HN MET 13 -18.480 0.605 2.837 81 HA MET 13 HA MET 13 -17.336 3.136 3.127 82 1HB MET 13 HB2 MET 13 -16.004 0.428 2.970 83 2HB MET 13 HB1 MET 13 -15.195 1.904 3.478 84 1HG MET 13 HG2 MET 13 -16.772 2.108 5.346 85 2HG MET 13 HG1 MET 13 -17.537 0.601 4.846 86 1HE MET 13 HE1 MET 13 -16.719 -0.731 7.589 87 2HE MET 13 HE2 MET 13 -16.932 1.017 7.492 88 3HE MET 13 HE3 MET 13 -15.473 0.346 8.220 89 H ALA 14 HN ALA 14 -17.365 0.946 0.423 90 HA ALA 14 HA ALA 14 -15.180 2.080 -0.997 91 1HB ALA 14 HB1 ALA 14 -16.875 -0.100 -1.340 92 2HB ALA 14 HB2 ALA 14 -15.548 0.388 -2.394 93 3HB ALA 14 HB3 ALA 14 -17.190 0.940 -2.729 94 H GLU 15 HN GLU 15 -18.431 3.057 -0.492 95 HA GLU 15 HA GLU 15 -18.542 4.773 -2.820 96 1HB GLU 15 HB2 GLU 15 -20.437 4.524 -0.478 97 2HB GLU 15 HB1 GLU 15 -20.741 5.449 -1.941 98 1HG GLU 15 HG2 GLU 15 -20.322 2.471 -1.836 99 2HG GLU 15 HG1 GLU 15 -21.888 3.276 -1.916 100 H ARG 16 HN ARG 16 -17.550 4.974 0.458 101 HA ARG 16 HA ARG 16 -17.875 7.787 0.786 102 1HB ARG 16 HB2 ARG 16 -16.137 5.809 2.268 103 2HB ARG 16 HB1 ARG 16 -16.374 7.482 2.752 104 1HG ARG 16 HG2 ARG 16 -18.766 7.061 3.036 105 2HG ARG 16 HG1 ARG 16 -18.521 5.380 2.560 106 1HD ARG 16 HD2 ARG 16 -17.069 5.024 4.471 107 2HD ARG 16 HD1 ARG 16 -17.220 6.720 4.928 108 HE ARG 16 HE ARG 16 -19.785 5.611 4.811 109 1HH1 ARG 16 HH11 ARG 16 -16.867 5.335 6.696 110 2HH1 ARG 16 HH12 ARG 16 -17.694 4.879 8.148 111 1HH2 ARG 16 HH21 ARG 16 -20.883 5.014 6.723 112 2HH2 ARG 16 HH22 ARG 16 -19.975 4.696 8.163 113 H LEU 17 HN LEU 17 -14.698 6.887 1.615 114 HA LEU 17 HA LEU 17 -13.617 8.834 -0.185 115 1HB LEU 17 HB2 LEU 17 -11.429 8.165 0.829 116 2HB LEU 17 HB1 LEU 17 -12.634 8.728 1.968 117 HG LEU 17 HG LEU 17 -13.138 6.274 2.438 118 1HD1 LEU 17 HD11 LEU 17 -10.628 5.194 1.893 119 2HD1 LEU 17 HD12 LEU 17 -11.129 5.982 0.397 120 3HD1 LEU 17 HD13 LEU 17 -12.163 4.762 1.141 121 1HD2 LEU 17 HD21 LEU 17 -10.332 7.047 3.158 122 2HD2 LEU 17 HD22 LEU 17 -11.526 6.181 4.124 123 3HD2 LEU 17 HD23 LEU 17 -11.725 7.906 3.815 124 H SER 18 HN SER 18 -11.909 8.442 -1.724 125 HA SER 18 HA SER 18 -12.484 6.153 -3.363 126 1HB SER 18 HB2 SER 18 -10.840 7.155 -4.923 127 2HB SER 18 HB1 SER 18 -12.067 8.313 -4.414 128 HG SER 18 HG SER 18 -10.046 9.275 -4.281 129 H GLU 19 HN GLU 19 -11.807 4.403 -2.061 130 HA GLU 19 HA GLU 19 -9.054 4.210 -1.224 131 1HB GLU 19 HB2 GLU 19 -9.666 1.982 -0.422 132 2HB GLU 19 HB1 GLU 19 -10.831 3.183 0.118 133 1HG GLU 19 HG2 GLU 19 -12.371 2.493 -1.638 134 2HG GLU 19 HG1 GLU 19 -11.200 1.302 -2.203 135 H GLU 20 HN GLU 20 -10.716 3.721 -4.091 136 HA GLU 20 HA GLU 20 -9.426 1.453 -5.153 137 1HB GLU 20 HB2 GLU 20 -10.152 2.309 -7.342 138 2HB GLU 20 HB1 GLU 20 -11.447 2.372 -6.155 139 1HG GLU 20 HG2 GLU 20 -11.038 4.758 -5.832 140 2HG GLU 20 HG1 GLU 20 -9.742 4.694 -7.026 141 H GLU 21 HN GLU 21 -8.309 4.611 -4.522 142 HA GLU 21 HA GLU 21 -5.748 3.966 -5.754 143 1HB GLU 21 HB2 GLU 21 -5.569 6.194 -6.797 144 2HB GLU 21 HB1 GLU 21 -6.872 5.239 -7.490 145 1HG GLU 21 HG2 GLU 21 -8.490 6.472 -6.130 146 2HG GLU 21 HG1 GLU 21 -7.177 7.437 -5.457 147 H ILE 22 HN ILE 22 -4.339 6.190 -5.316 148 HA ILE 22 HA ILE 22 -3.738 6.134 -2.602 149 HB ILE 22 HB ILE 22 -2.358 8.115 -2.996 150 1HG1 ILE 22 HG12 ILE 22 -3.647 8.170 -5.735 151 2HG1 ILE 22 HG11 ILE 22 -3.962 9.326 -4.446 152 1HG2 ILE 22 HG21 ILE 22 -1.032 6.449 -3.694 153 2HG2 ILE 22 HG22 ILE 22 -1.366 7.069 -5.311 154 3HG2 ILE 22 HG23 ILE 22 -2.303 5.718 -4.674 155 1HD1 ILE 22 HD11 ILE 22 -1.234 8.885 -5.622 156 2HD1 ILE 22 HD12 ILE 22 -1.771 10.203 -4.581 157 3HD1 ILE 22 HD13 ILE 22 -2.376 10.082 -6.233 158 H GLY 23 HN GLY 23 -6.309 7.689 -4.149 159 1HA GLY 23 HA2 GLY 23 -6.790 10.075 -3.028 160 2HA GLY 23 HA1 GLY 23 -8.059 8.882 -3.223 161 H GLY 24 HN GLY 24 -6.910 7.049 -1.203 162 1HA GLY 24 HA2 GLY 24 -7.947 8.491 1.121 163 2HA GLY 24 HA1 GLY 24 -7.768 6.753 0.983 164 H LEU 25 HN LEU 25 -5.357 6.079 0.736 165 HA LEU 25 HA LEU 25 -4.069 6.835 3.136 166 1HB LEU 25 HB2 LEU 25 -3.956 4.586 2.063 167 2HB LEU 25 HB1 LEU 25 -2.883 5.268 0.856 168 HG LEU 25 HG LEU 25 -1.243 5.798 2.616 169 1HD1 LEU 25 HD11 LEU 25 -1.521 5.253 4.861 170 2HD1 LEU 25 HD12 LEU 25 -2.888 4.188 4.533 171 3HD1 LEU 25 HD13 LEU 25 -3.082 5.936 4.406 172 1HD2 LEU 25 HD21 LEU 25 -2.127 2.916 2.677 173 2HD2 LEU 25 HD22 LEU 25 -0.517 3.532 3.049 174 3HD2 LEU 25 HD23 LEU 25 -1.150 3.653 1.407 175 H LYS 26 HN LYS 26 -4.095 8.420 0.204 176 HA LYS 26 HA LYS 26 -1.623 9.201 -0.493 177 1HB LYS 26 HB2 LYS 26 -2.494 11.414 -1.072 178 2HB LYS 26 HB1 LYS 26 -3.625 10.146 -1.521 179 1HG LYS 26 HG2 LYS 26 -5.049 10.657 0.314 180 2HG LYS 26 HG1 LYS 26 -3.853 11.747 1.014 181 1HD LYS 26 HD2 LYS 26 -5.545 13.073 -0.044 182 2HD LYS 26 HD1 LYS 26 -4.075 13.186 -1.009 183 1HE LYS 26 HE2 LYS 26 -6.360 11.315 -1.615 184 2HE LYS 26 HE1 LYS 26 -6.174 12.911 -2.336 185 1HZ LYS 26 HZ1 LYS 26 -3.880 12.039 -3.035 186 2HZ LYS 26 HZ2 LYS 26 -5.237 11.501 -3.889 187 3HZ LYS 26 HZ3 LYS 26 -4.519 10.503 -2.729 188 H GLU 27 HN GLU 27 -3.174 10.033 2.529 189 HA GLU 27 HA GLU 27 -1.514 12.152 3.310 190 1HB GLU 27 HB2 GLU 27 -2.910 10.076 5.005 191 2HB GLU 27 HB1 GLU 27 -2.185 11.552 5.626 192 1HG GLU 27 HG2 GLU 27 -4.443 11.434 3.639 193 2HG GLU 27 HG1 GLU 27 -4.621 11.714 5.370 194 H LEU 28 HN LEU 28 -1.265 8.692 4.172 195 HA LEU 28 HA LEU 28 1.430 9.123 5.166 196 1HB LEU 28 HB2 LEU 28 -0.344 6.690 5.129 197 2HB LEU 28 HB1 LEU 28 1.299 6.677 5.738 198 HG LEU 28 HG LEU 28 0.625 8.403 7.420 199 1HD1 LEU 28 HD11 LEU 28 -2.150 7.779 6.422 200 2HD1 LEU 28 HD12 LEU 28 -1.307 9.320 6.264 201 3HD1 LEU 28 HD13 LEU 28 -1.758 8.722 7.860 202 1HD2 LEU 28 HD21 LEU 28 0.684 5.901 7.806 203 2HD2 LEU 28 HD22 LEU 28 -1.070 5.930 7.620 204 3HD2 LEU 28 HD23 LEU 28 -0.306 6.844 8.921 205 H PHE 29 HN PHE 29 -0.069 6.850 2.841 206 HA PHE 29 HA PHE 29 2.039 5.570 1.811 207 1HB PHE 29 HB2 PHE 29 -0.372 5.411 1.087 208 2HB PHE 29 HB1 PHE 29 -0.063 6.776 0.020 209 HD1 PHE 29 HD1 PHE 29 1.937 3.749 0.850 210 HD2 PHE 29 HD2 PHE 29 -0.047 6.021 -2.147 211 HE1 PHE 29 HE1 PHE 29 2.771 2.204 -0.863 212 HE2 PHE 29 HE2 PHE 29 0.783 4.479 -3.868 213 HZ PHE 29 HZ PHE 29 2.195 2.563 -3.232 214 H LYS 30 HN LYS 30 1.172 8.898 0.926 215 HA LYS 30 HA LYS 30 3.150 9.135 -1.102 216 1HB LYS 30 HB2 LYS 30 2.441 11.319 -1.341 217 2HB LYS 30 HB1 LYS 30 1.034 10.582 -0.595 218 1HG LYS 30 HG2 LYS 30 1.679 11.456 1.571 219 2HG LYS 30 HG1 LYS 30 3.134 12.163 0.864 220 1HD LYS 30 HD2 LYS 30 1.749 13.576 -0.576 221 2HD LYS 30 HD1 LYS 30 0.293 12.863 0.122 222 1HE LYS 30 HE2 LYS 30 0.782 15.032 1.129 223 2HE LYS 30 HE1 LYS 30 0.908 13.735 2.316 224 1HZ LYS 30 HZ1 LYS 30 3.252 13.831 2.239 225 2HZ LYS 30 HZ2 LYS 30 2.727 15.433 2.373 226 3HZ LYS 30 HZ3 LYS 30 3.254 14.839 0.880 227 H MET 31 HN MET 31 3.029 10.036 2.290 228 HA MET 31 HA MET 31 5.557 11.305 2.380 229 1HB MET 31 HB2 MET 31 3.789 11.694 4.045 230 2HB MET 31 HB1 MET 31 3.972 10.044 4.623 231 1HG MET 31 HG2 MET 31 6.246 10.527 5.331 232 2HG MET 31 HG1 MET 31 6.099 12.172 4.716 233 1HE MET 31 HE1 MET 31 3.992 9.685 6.469 234 2HE MET 31 HE2 MET 31 3.129 10.593 7.711 235 3HE MET 31 HE3 MET 31 4.712 9.902 8.063 236 H ILE 32 HN ILE 32 4.640 7.982 2.392 237 HA ILE 32 HA ILE 32 7.195 7.154 3.537 238 HB ILE 32 HB ILE 32 5.072 5.976 4.179 239 1HG1 ILE 32 HG12 ILE 32 6.058 3.704 4.012 240 2HG1 ILE 32 HG11 ILE 32 7.238 4.325 2.861 241 1HG2 ILE 32 HG21 ILE 32 5.027 5.500 1.275 242 2HG2 ILE 32 HG22 ILE 32 3.700 5.610 2.432 243 3HG2 ILE 32 HG23 ILE 32 4.623 4.114 2.287 244 1HD1 ILE 32 HD11 ILE 32 8.549 5.021 4.500 245 2HD1 ILE 32 HD12 ILE 32 7.465 4.215 5.634 246 3HD1 ILE 32 HD13 ILE 32 7.228 5.920 5.247 247 H ASP 33 HN ASP 33 5.569 7.504 0.524 248 HA ASP 33 HA ASP 33 7.236 5.790 -1.026 249 1HB ASP 33 HB2 ASP 33 4.973 6.469 -1.751 250 2HB ASP 33 HB1 ASP 33 5.524 8.135 -1.891 251 H THR 34 HN THR 34 9.306 6.137 -1.489 252 HA THR 34 HA THR 34 10.719 8.465 -0.878 253 HB THR 34 HB THR 34 11.419 6.322 -2.898 254 HG1 THR 34 HG1 THR 34 12.169 6.542 -0.175 255 1HG2 THR 34 HG21 THR 34 12.842 8.686 -2.133 256 2HG2 THR 34 HG22 THR 34 13.274 7.447 -3.311 257 3HG2 THR 34 HG23 THR 34 13.722 7.248 -1.617 258 H ASP 35 HN ASP 35 8.622 7.807 -3.448 259 HA ASP 35 HA ASP 35 9.740 9.953 -5.099 260 1HB ASP 35 HB2 ASP 35 9.311 7.722 -6.155 261 2HB ASP 35 HB1 ASP 35 7.596 7.970 -5.848 262 H ASN 36 HN ASN 36 7.084 9.139 -3.049 263 HA ASN 36 HA ASN 36 5.207 10.275 -2.427 264 1HB ASN 36 HB2 ASN 36 6.921 11.976 -1.828 265 2HB ASN 36 HB1 ASN 36 6.755 12.680 -3.433 266 1HD2 ASN 36 HD21 ASN 36 5.487 14.375 -3.539 267 2HD2 ASN 36 HD22 ASN 36 4.162 14.729 -2.489 268 H SER 37 HN SER 37 5.769 9.473 -5.357 269 HA SER 37 HA SER 37 4.076 11.292 -6.845 270 1HB SER 37 HB2 SER 37 4.469 9.739 -8.730 271 2HB SER 37 HB1 SER 37 5.981 10.236 -7.971 272 HG SER 37 HG SER 37 4.917 7.986 -6.850 273 H GLY 38 HN GLY 38 3.749 8.510 -4.928 274 1HA GLY 38 HA2 GLY 38 1.488 7.962 -4.177 275 2HA GLY 38 HA1 GLY 38 0.939 8.243 -5.822 276 H THR 39 HN THR 39 3.890 6.645 -5.759 277 HA THR 39 HA THR 39 2.750 3.969 -5.605 278 HB THR 39 HB THR 39 3.718 3.317 -7.789 279 HG1 THR 39 HG1 THR 39 4.134 6.100 -8.132 280 1HG2 THR 39 HG21 THR 39 1.336 4.611 -7.438 281 2HG2 THR 39 HG22 THR 39 1.857 3.786 -8.907 282 3HG2 THR 39 HG23 THR 39 2.088 5.527 -8.744 283 H ILE 40 HN ILE 40 4.175 2.567 -4.704 284 HA ILE 40 HA ILE 40 6.908 3.580 -4.311 285 HB ILE 40 HB ILE 40 5.192 1.725 -2.695 286 1HG1 ILE 40 HG12 ILE 40 6.950 4.062 -1.933 287 2HG1 ILE 40 HG11 ILE 40 5.223 4.183 -2.274 288 1HG2 ILE 40 HG21 ILE 40 8.197 1.905 -2.606 289 2HG2 ILE 40 HG22 ILE 40 7.209 0.469 -2.871 290 3HG2 ILE 40 HG23 ILE 40 7.217 1.255 -1.293 291 1HD1 ILE 40 HD11 ILE 40 4.719 3.598 -0.200 292 2HD1 ILE 40 HD12 ILE 40 6.439 3.693 0.181 293 3HD1 ILE 40 HD13 ILE 40 5.726 2.154 -0.302 294 H THR 41 HN THR 41 8.636 2.543 -5.116 295 HA THR 41 HA THR 41 8.160 -0.052 -6.428 296 HB THR 41 HB THR 41 10.031 0.502 -7.915 297 HG1 THR 41 HG1 THR 41 10.219 3.127 -7.311 298 1HG2 THR 41 HG21 THR 41 7.606 1.451 -8.262 299 2HG2 THR 41 HG22 THR 41 8.938 1.908 -9.324 300 3HG2 THR 41 HG23 THR 41 8.429 2.993 -8.030 301 H PHE 42 HN PHE 42 10.050 -1.498 -6.455 302 HA PHE 42 HA PHE 42 11.067 -1.979 -3.886 303 1HB PHE 42 HB2 PHE 42 10.756 -3.853 -5.298 304 2HB PHE 42 HB1 PHE 42 11.651 -3.110 -6.618 305 HD1 PHE 42 HD1 PHE 42 13.600 -4.167 -7.081 306 HD2 PHE 42 HD2 PHE 42 12.357 -3.874 -3.024 307 HE1 PHE 42 HE1 PHE 42 15.639 -5.337 -6.377 308 HE2 PHE 42 HE2 PHE 42 14.397 -5.045 -2.312 309 HZ PHE 42 HZ PHE 42 16.046 -5.780 -3.987 310 H ASP 43 HN ASP 43 12.350 -0.436 -6.752 311 HA ASP 43 HA ASP 43 15.048 -0.279 -6.042 312 1HB ASP 43 HB2 ASP 43 13.382 1.683 -7.636 313 2HB ASP 43 HB1 ASP 43 15.138 1.621 -7.614 314 H GLU 44 HN GLU 44 12.339 1.897 -5.409 315 HA GLU 44 HA GLU 44 13.989 3.600 -3.728 316 1HB GLU 44 HB2 GLU 44 12.072 5.057 -3.626 317 2HB GLU 44 HB1 GLU 44 12.314 4.564 -5.292 318 1HG GLU 44 HG2 GLU 44 10.538 2.880 -5.021 319 2HG GLU 44 HG1 GLU 44 10.250 3.494 -3.392 320 H LEU 45 HN LEU 45 11.922 0.905 -3.431 321 HA LEU 45 HA LEU 45 10.803 1.323 -0.919 322 1HB LEU 45 HB2 LEU 45 10.068 -0.466 -2.403 323 2HB LEU 45 HB1 LEU 45 11.595 -1.298 -2.164 324 HG LEU 45 HG LEU 45 11.075 -1.610 0.209 325 1HD1 LEU 45 HD11 LEU 45 9.390 0.514 -0.075 326 2HD1 LEU 45 HD12 LEU 45 9.404 -0.595 1.296 327 3HD1 LEU 45 HD13 LEU 45 8.263 -0.841 -0.026 328 1HD2 LEU 45 HD21 LEU 45 10.381 -3.306 -1.419 329 2HD2 LEU 45 HD22 LEU 45 8.822 -2.499 -1.585 330 3HD2 LEU 45 HD23 LEU 45 9.282 -3.222 -0.043 331 H LYS 46 HN LYS 46 13.732 -0.479 -1.789 332 HA LYS 46 HA LYS 46 14.598 -1.301 0.663 333 1HB LYS 46 HB2 LYS 46 16.913 -1.178 -0.285 334 2HB LYS 46 HB1 LYS 46 15.747 -2.012 -1.303 335 1HG LYS 46 HG2 LYS 46 15.532 -0.041 -2.707 336 2HG LYS 46 HG1 LYS 46 16.652 0.838 -1.665 337 1HD LYS 46 HD2 LYS 46 17.339 -1.686 -3.168 338 2HD LYS 46 HD1 LYS 46 17.695 -0.056 -3.742 339 1HE LYS 46 HE2 LYS 46 18.707 -1.281 -1.176 340 2HE LYS 46 HE1 LYS 46 19.638 -1.093 -2.662 341 1HZ LYS 46 HZ1 LYS 46 18.838 0.918 -0.703 342 2HZ LYS 46 HZ2 LYS 46 18.884 1.399 -2.323 343 3HZ LYS 46 HZ3 LYS 46 20.275 0.780 -1.587 344 H ASP 47 HN ASP 47 15.467 1.810 -0.864 345 HA ASP 47 HA ASP 47 17.098 2.852 1.083 346 1HB ASP 47 HB2 ASP 47 16.737 3.956 -1.053 347 2HB ASP 47 HB1 ASP 47 15.077 4.335 -0.607 348 H GLY 48 HN GLY 48 13.793 2.148 1.398 349 1HA GLY 48 HA2 GLY 48 13.129 4.127 3.359 350 2HA GLY 48 HA1 GLY 48 12.193 2.688 2.975 351 H LEU 49 HN LEU 49 13.709 0.624 3.573 352 HA LEU 49 HA LEU 49 14.009 0.843 6.459 353 1HB LEU 49 HB2 LEU 49 14.061 -1.536 4.599 354 2HB LEU 49 HB1 LEU 49 14.297 -1.647 6.331 355 HG LEU 49 HG LEU 49 12.041 -2.275 5.810 356 1HD1 LEU 49 HD11 LEU 49 11.441 0.406 6.840 357 2HD1 LEU 49 HD12 LEU 49 12.709 -0.465 7.703 358 3HD1 LEU 49 HD13 LEU 49 11.107 -1.182 7.529 359 1HD2 LEU 49 HD21 LEU 49 10.845 -1.370 4.176 360 2HD2 LEU 49 HD22 LEU 49 12.236 -0.354 3.795 361 3HD2 LEU 49 HD23 LEU 49 10.985 0.237 4.890 362 H LYS 50 HN LYS 50 15.919 0.943 3.677 363 HA LYS 50 HA LYS 50 18.299 -0.105 4.925 364 1HB LYS 50 HB2 LYS 50 17.879 -0.488 2.528 365 2HB LYS 50 HB1 LYS 50 17.971 1.246 2.250 366 1HG LYS 50 HG2 LYS 50 20.292 1.266 2.932 367 2HG LYS 50 HG1 LYS 50 20.215 -0.453 3.321 368 1HD LYS 50 HD2 LYS 50 19.727 -0.954 0.970 369 2HD LYS 50 HD1 LYS 50 19.823 0.767 0.588 370 1HE LYS 50 HE2 LYS 50 21.901 -0.369 0.013 371 2HE LYS 50 HE1 LYS 50 22.158 0.799 1.310 372 1HZ LYS 50 HZ1 LYS 50 23.303 -1.268 1.766 373 2HZ LYS 50 HZ2 LYS 50 21.856 -2.136 1.652 374 3HZ LYS 50 HZ3 LYS 50 22.077 -1.022 2.906 375 H ARG 51 HN ARG 51 16.757 2.934 4.480 376 HA ARG 51 HA ARG 51 18.739 4.797 4.458 377 1HB ARG 51 HB2 ARG 51 16.334 5.331 4.502 378 2HB ARG 51 HB1 ARG 51 16.273 4.892 6.204 379 1HG ARG 51 HG2 ARG 51 17.832 6.704 6.725 380 2HG ARG 51 HG1 ARG 51 17.874 7.151 5.019 381 1HD ARG 51 HD2 ARG 51 15.451 7.182 6.815 382 2HD ARG 51 HD1 ARG 51 16.352 8.591 6.257 383 HE ARG 51 HE ARG 51 15.488 7.119 4.028 384 1HH1 ARG 51 HH11 ARG 51 14.212 9.107 6.589 385 2HH1 ARG 51 HH12 ARG 51 12.843 9.638 5.671 386 1HH2 ARG 51 HH21 ARG 51 13.684 7.813 2.811 387 2HH2 ARG 51 HH22 ARG 51 12.542 8.901 3.526 388 H VAL 52 HN VAL 52 17.839 2.738 7.151 389 HA VAL 52 HA VAL 52 19.791 4.096 8.869 390 HB VAL 52 HB VAL 52 18.839 2.775 10.714 391 1HG1 VAL 52 HG11 VAL 52 17.272 4.652 9.069 392 2HG1 VAL 52 HG12 VAL 52 17.736 4.743 10.768 393 3HG1 VAL 52 HG13 VAL 52 16.364 3.747 10.280 394 1HG2 VAL 52 HG21 VAL 52 16.755 1.825 8.760 395 2HG2 VAL 52 HG22 VAL 52 16.965 1.344 10.444 396 3HG2 VAL 52 HG23 VAL 52 18.148 0.854 9.232 397 H GLY 53 HN GLY 53 19.132 1.052 7.269 398 1HA GLY 53 HA2 GLY 53 20.370 -0.873 7.045 399 2HA GLY 53 HA1 GLY 53 21.757 0.204 7.123 400 H SER 54 HN SER 54 19.344 -0.741 9.565 401 HA SER 54 HA SER 54 21.296 -0.943 11.612 402 1HB SER 54 HB2 SER 54 18.453 -1.979 11.543 403 2HB SER 54 HB1 SER 54 19.453 -1.838 12.989 404 HG SER 54 HG SER 54 18.955 0.194 13.078 405 H GLU 55 HN GLU 55 19.086 -3.626 11.229 406 HA GLU 55 HA GLU 55 21.394 -5.427 10.878 407 1HB GLU 55 HB2 GLU 55 20.472 -5.462 13.184 408 2HB GLU 55 HB1 GLU 55 18.913 -5.943 12.531 409 1HG GLU 55 HG2 GLU 55 19.897 -8.011 11.693 410 2HG GLU 55 HG1 GLU 55 21.467 -7.526 12.331 411 H LEU 56 HN LEU 56 18.781 -4.249 9.361 412 HA LEU 56 HA LEU 56 17.773 -6.737 8.265 413 1HB LEU 56 HB2 LEU 56 16.324 -5.213 6.896 414 2HB LEU 56 HB1 LEU 56 16.090 -5.137 8.632 415 HG LEU 56 HG LEU 56 17.676 -3.096 8.542 416 1HD1 LEU 56 HD11 LEU 56 17.132 -3.593 5.664 417 2HD1 LEU 56 HD12 LEU 56 18.584 -2.978 6.454 418 3HD1 LEU 56 HD13 LEU 56 17.186 -1.926 6.236 419 1HD2 LEU 56 HD21 LEU 56 15.839 -1.637 8.304 420 2HD2 LEU 56 HD22 LEU 56 15.183 -3.141 8.952 421 3HD2 LEU 56 HD23 LEU 56 14.989 -2.759 7.241 422 H MET 57 HN MET 57 17.983 -7.485 6.277 423 HA MET 57 HA MET 57 20.147 -6.303 4.690 424 1HB MET 57 HB2 MET 57 20.506 -8.622 5.499 425 2HB MET 57 HB1 MET 57 19.060 -9.126 4.636 426 1HG MET 57 HG2 MET 57 21.009 -9.716 3.366 427 2HG MET 57 HG1 MET 57 20.111 -8.457 2.520 428 1HE MET 57 HE1 MET 57 24.138 -8.190 4.608 429 2HE MET 57 HE2 MET 57 22.792 -9.270 4.977 430 3HE MET 57 HE3 MET 57 22.812 -7.631 5.628 431 H GLU 58 HN GLU 58 19.913 -6.201 2.451 432 HA GLU 58 HA GLU 58 17.539 -5.157 1.485 433 1HB GLU 58 HB2 GLU 58 19.717 -4.803 0.411 434 2HB GLU 58 HB1 GLU 58 19.752 -6.487 -0.092 435 1HG GLU 58 HG2 GLU 58 17.762 -6.098 -1.475 436 2HG GLU 58 HG1 GLU 58 17.776 -4.402 -0.993 437 H SER 59 HN SER 59 18.256 -8.393 2.116 438 HA SER 59 HA SER 59 16.720 -9.660 0.092 439 1HB SER 59 HB2 SER 59 16.852 -11.658 1.546 440 2HB SER 59 HB1 SER 59 18.426 -10.890 1.337 441 HG SER 59 HG SER 59 16.733 -10.357 3.544 442 H GLU 60 HN GLU 60 15.968 -8.323 3.239 443 HA GLU 60 HA GLU 60 13.408 -9.499 3.518 444 1HB GLU 60 HB2 GLU 60 14.653 -8.522 5.413 445 2HB GLU 60 HB1 GLU 60 14.475 -6.925 4.700 446 1HG GLU 60 HG2 GLU 60 12.876 -7.236 6.479 447 2HG GLU 60 HG1 GLU 60 12.045 -7.098 4.930 448 H ILE 61 HN ILE 61 14.633 -6.638 1.932 449 HA ILE 61 HA ILE 61 12.208 -5.283 1.509 450 HB ILE 61 HB ILE 61 14.577 -5.252 -0.361 451 1HG1 ILE 61 HG12 ILE 61 15.364 -4.892 1.928 452 2HG1 ILE 61 HG11 ILE 61 15.442 -3.392 1.010 453 1HG2 ILE 61 HG21 ILE 61 13.787 -3.227 -1.149 454 2HG2 ILE 61 HG22 ILE 61 12.812 -2.929 0.290 455 3HG2 ILE 61 HG23 ILE 61 12.294 -4.131 -0.892 456 1HD1 ILE 61 HD11 ILE 61 14.144 -2.361 2.475 457 2HD1 ILE 61 HD12 ILE 61 14.259 -3.797 3.494 458 3HD1 ILE 61 HD13 ILE 61 12.916 -3.622 2.364 459 H LYS 62 HN LYS 62 13.504 -8.130 0.103 460 HA LYS 62 HA LYS 62 12.037 -8.046 -2.367 461 1HB LYS 62 HB2 LYS 62 13.066 -10.546 -1.039 462 2HB LYS 62 HB1 LYS 62 12.897 -10.208 -2.759 463 1HG LYS 62 HG2 LYS 62 14.812 -8.794 -0.940 464 2HG LYS 62 HG1 LYS 62 15.238 -10.195 -1.931 465 1HD LYS 62 HD2 LYS 62 14.160 -7.581 -2.988 466 2HD LYS 62 HD1 LYS 62 15.863 -8.039 -2.981 467 1HE LYS 62 HE2 LYS 62 13.649 -9.508 -4.411 468 2HE LYS 62 HE1 LYS 62 14.819 -8.426 -5.167 469 1HZ LYS 62 HZ1 LYS 62 15.854 -10.392 -5.523 470 2HZ LYS 62 HZ2 LYS 62 15.176 -11.145 -4.169 471 3HZ LYS 62 HZ3 LYS 62 16.479 -10.084 -3.981 472 H ASP 63 HN ASP 63 11.809 -10.159 0.481 473 HA ASP 63 HA ASP 63 9.248 -11.161 -0.090 474 1HB ASP 63 HB2 ASP 63 10.835 -12.180 1.541 475 2HB ASP 63 HB1 ASP 63 10.564 -10.818 2.622 476 H LEU 64 HN LEU 64 10.377 -8.154 0.965 477 HA LEU 64 HA LEU 64 7.942 -7.323 2.304 478 1HB LEU 64 HB2 LEU 64 10.205 -6.466 2.930 479 2HB LEU 64 HB1 LEU 64 10.289 -5.667 1.372 480 HG LEU 64 HG LEU 64 8.295 -4.316 1.997 481 1HD1 LEU 64 HD11 LEU 64 8.605 -4.897 4.852 482 2HD1 LEU 64 HD12 LEU 64 7.869 -6.195 3.911 483 3HD1 LEU 64 HD13 LEU 64 7.151 -4.584 3.906 484 1HD2 LEU 64 HD21 LEU 64 9.551 -3.039 3.864 485 2HD2 LEU 64 HD22 LEU 64 10.286 -3.163 2.266 486 3HD2 LEU 64 HD23 LEU 64 10.835 -4.212 3.574 487 H MET 65 HN MET 65 9.548 -6.790 -0.796 488 HA MET 65 HA MET 65 7.394 -5.094 -1.752 489 1HB MET 65 HB2 MET 65 9.797 -4.634 -2.269 490 2HB MET 65 HB1 MET 65 9.827 -6.102 -3.233 491 1HG MET 65 HG2 MET 65 7.879 -3.894 -3.787 492 2HG MET 65 HG1 MET 65 9.518 -3.875 -4.435 493 1HE MET 65 HE1 MET 65 9.507 -7.317 -6.369 494 2HE MET 65 HE2 MET 65 10.259 -6.611 -4.938 495 3HE MET 65 HE3 MET 65 10.320 -5.755 -6.480 496 H ASP 66 HN ASP 66 9.018 -7.930 -3.178 497 HA ASP 66 HA ASP 66 7.251 -8.621 -5.102 498 1HB ASP 66 HB2 ASP 66 9.375 -9.798 -4.657 499 2HB ASP 66 HB1 ASP 66 8.636 -10.585 -3.266 500 H ALA 67 HN ALA 67 6.886 -9.334 -1.658 501 HA ALA 67 HA ALA 67 4.507 -10.900 -2.045 502 1HB ALA 67 HB1 ALA 67 6.228 -11.023 -0.112 503 2HB ALA 67 HB2 ALA 67 4.516 -11.265 0.237 504 3HB ALA 67 HB3 ALA 67 5.277 -9.713 0.587 505 H ALA 68 HN ALA 68 5.223 -7.590 -1.009 506 HA ALA 68 HA ALA 68 2.672 -6.807 -0.222 507 1HB ALA 68 HB1 ALA 68 3.401 -4.545 -0.527 508 2HB ALA 68 HB2 ALA 68 4.683 -5.056 -1.626 509 3HB ALA 68 HB3 ALA 68 4.762 -5.488 0.082 510 H ASP 69 HN ASP 69 4.179 -6.140 -3.391 511 HA ASP 69 HA ASP 69 1.505 -5.826 -4.535 512 1HB ASP 69 HB2 ASP 69 2.745 -4.929 -6.523 513 2HB ASP 69 HB1 ASP 69 2.974 -4.002 -5.044 514 H ILE 70 HN ILE 70 0.616 -7.598 -5.300 515 HA ILE 70 HA ILE 70 2.200 -9.848 -6.178 516 HB ILE 70 HB ILE 70 0.168 -10.216 -4.845 517 1HG1 ILE 70 HG12 ILE 70 -0.842 -11.978 -6.266 518 2HG1 ILE 70 HG11 ILE 70 -0.003 -11.312 -7.663 519 1HG2 ILE 70 HG21 ILE 70 -0.972 -8.255 -6.284 520 2HG2 ILE 70 HG22 ILE 70 -1.887 -9.451 -5.366 521 3HG2 ILE 70 HG23 ILE 70 -1.646 -9.666 -7.100 522 1HD1 ILE 70 HD11 ILE 70 2.105 -11.941 -6.810 523 2HD1 ILE 70 HD12 ILE 70 1.042 -13.334 -6.603 524 3HD1 ILE 70 HD13 ILE 70 1.433 -12.309 -5.222 525 H ASP 71 HN ASP 71 0.602 -7.162 -7.585 526 HA ASP 71 HA ASP 71 -0.008 -8.195 -10.122 527 1HB ASP 71 HB2 ASP 71 -0.016 -5.845 -10.859 528 2HB ASP 71 HB1 ASP 71 -0.868 -6.045 -9.331 529 H LYS 72 HN LYS 72 2.966 -7.630 -8.615 530 HA LYS 72 HA LYS 72 5.141 -7.747 -9.282 531 1HB LYS 72 HB2 LYS 72 3.992 -9.145 -11.698 532 2HB LYS 72 HB1 LYS 72 5.642 -9.263 -11.102 533 1HG LYS 72 HG2 LYS 72 5.067 -10.630 -9.365 534 2HG LYS 72 HG1 LYS 72 3.415 -10.013 -9.284 535 1HD LYS 72 HD2 LYS 72 3.345 -12.248 -10.151 536 2HD LYS 72 HD1 LYS 72 2.957 -11.115 -11.451 537 1HE LYS 72 HE2 LYS 72 5.237 -11.288 -12.297 538 2HE LYS 72 HE1 LYS 72 5.656 -12.384 -10.981 539 1HZ LYS 72 HZ1 LYS 72 3.429 -13.469 -12.199 540 2HZ LYS 72 HZ2 LYS 72 5.021 -14.035 -12.292 541 3HZ LYS 72 HZ3 LYS 72 4.432 -12.970 -13.467 542 H SER 73 HN SER 73 3.168 -5.658 -10.514 543 HA SER 73 HA SER 73 4.184 -4.903 -13.029 544 1HB SER 73 HB2 SER 73 3.106 -2.779 -12.692 545 2HB SER 73 HB1 SER 73 2.078 -4.017 -11.970 546 HG SER 73 HG SER 73 3.717 -2.108 -10.711 547 H GLY 74 HN GLY 74 5.565 -4.688 -9.917 548 1HA GLY 74 HA2 GLY 74 7.930 -4.231 -9.731 549 2HA GLY 74 HA1 GLY 74 7.756 -3.049 -11.021 550 H THR 75 HN THR 75 5.183 -2.170 -9.685 551 HA THR 75 HA THR 75 6.311 -0.738 -7.383 552 HB THR 75 HB THR 75 6.429 0.824 -9.215 553 HG1 THR 75 HG1 THR 75 4.855 1.203 -7.096 554 1HG2 THR 75 HG21 THR 75 4.799 -0.230 -10.718 555 2HG2 THR 75 HG22 THR 75 4.541 1.505 -10.532 556 3HG2 THR 75 HG23 THR 75 3.497 0.362 -9.687 557 H ILE 76 HN ILE 76 5.037 -0.832 -5.643 558 HA ILE 76 HA ILE 76 2.519 -2.192 -5.811 559 HB ILE 76 HB ILE 76 3.982 -2.620 -3.924 560 1HG1 ILE 76 HG12 ILE 76 1.465 -1.175 -3.065 561 2HG1 ILE 76 HG11 ILE 76 1.543 -2.845 -3.615 562 1HG2 ILE 76 HG21 ILE 76 4.018 -0.697 -2.148 563 2HG2 ILE 76 HG22 ILE 76 3.779 0.330 -3.561 564 3HG2 ILE 76 HG23 ILE 76 5.191 -0.722 -3.466 565 1HD1 ILE 76 HD11 ILE 76 3.409 -2.546 -1.513 566 2HD1 ILE 76 HD12 ILE 76 1.922 -3.494 -1.541 567 3HD1 ILE 76 HD13 ILE 76 1.888 -1.816 -1.000 568 H ASP 77 HN ASP 77 0.521 -1.400 -5.745 569 HA ASP 77 HA ASP 77 0.206 1.527 -5.534 570 1HB ASP 77 HB2 ASP 77 -0.414 0.467 -7.724 571 2HB ASP 77 HB1 ASP 77 -1.649 -0.456 -6.876 572 H TYR 78 HN TYR 78 -1.493 2.354 -4.246 573 HA TYR 78 HA TYR 78 -1.972 1.128 -1.831 574 1HB TYR 78 HB2 TYR 78 -2.388 3.527 -2.272 575 2HB TYR 78 HB1 TYR 78 -3.816 3.094 -3.205 576 HD1 TYR 78 HD1 TYR 78 -2.533 1.881 0.088 577 HD2 TYR 78 HD2 TYR 78 -5.691 3.789 -2.030 578 HE1 TYR 78 HE1 TYR 78 -3.879 1.919 2.143 579 HE2 TYR 78 HE2 TYR 78 -7.048 3.830 0.020 580 HH TYR 78 HH TYR 78 -7.021 3.525 2.256 581 H GLY 79 HN GLY 79 -3.761 0.787 -4.826 582 1HA GLY 79 HA2 GLY 79 -6.130 -0.330 -3.940 583 2HA GLY 79 HA1 GLY 79 -5.355 -0.740 -5.462 584 H GLU 80 HN GLU 80 -3.079 -2.023 -4.628 585 HA GLU 80 HA GLU 80 -4.199 -4.520 -3.655 586 1HB GLU 80 HB2 GLU 80 -1.949 -5.436 -4.267 587 2HB GLU 80 HB1 GLU 80 -2.826 -4.697 -5.601 588 1HG GLU 80 HG2 GLU 80 -1.492 -2.638 -5.275 589 2HG GLU 80 HG1 GLU 80 -0.558 -3.484 -4.042 590 H PHE 81 HN PHE 81 -1.975 -2.037 -2.631 591 HA PHE 81 HA PHE 81 -0.647 -3.328 -0.561 592 1HB PHE 81 HB2 PHE 81 -0.013 -1.116 -1.394 593 2HB PHE 81 HB1 PHE 81 -1.498 -0.431 -0.747 594 HD1 PHE 81 HD1 PHE 81 -0.847 1.068 0.878 595 HD2 PHE 81 HD2 PHE 81 0.922 -2.803 0.804 596 HE1 PHE 81 HE1 PHE 81 0.303 1.556 2.997 597 HE2 PHE 81 HE2 PHE 81 2.073 -2.321 2.925 598 HZ PHE 81 HZ PHE 81 1.764 -0.139 4.023 599 H ILE 82 HN ILE 82 -3.939 -2.320 -0.747 600 HA ILE 82 HA ILE 82 -4.571 -1.880 1.928 601 HB ILE 82 HB ILE 82 -6.137 -1.456 0.079 602 1HG1 ILE 82 HG12 ILE 82 -8.187 -2.313 1.197 603 2HG1 ILE 82 HG11 ILE 82 -7.178 -3.356 2.194 604 1HG2 ILE 82 HG21 ILE 82 -5.777 -3.355 -1.316 605 2HG2 ILE 82 HG22 ILE 82 -7.464 -3.383 -0.803 606 3HG2 ILE 82 HG23 ILE 82 -6.292 -4.460 -0.042 607 1HD1 ILE 82 HD11 ILE 82 -6.022 -1.198 2.939 608 2HD1 ILE 82 HD12 ILE 82 -7.643 -1.529 3.552 609 3HD1 ILE 82 HD13 ILE 82 -7.416 -0.374 2.240 610 H ALA 83 HN ALA 83 -3.811 -4.830 0.293 611 HA ALA 83 HA ALA 83 -5.094 -6.747 1.809 612 1HB ALA 83 HB1 ALA 83 -2.475 -6.713 0.370 613 2HB ALA 83 HB2 ALA 83 -3.956 -7.590 -0.014 614 3HB ALA 83 HB3 ALA 83 -2.941 -8.119 1.328 615 H ALA 84 HN ALA 84 -1.812 -5.469 2.398 616 HA ALA 84 HA ALA 84 -2.233 -5.934 5.266 617 1HB ALA 84 HB1 ALA 84 0.060 -6.808 5.476 618 2HB ALA 84 HB2 ALA 84 0.217 -6.770 3.720 619 3HB ALA 84 HB3 ALA 84 -0.966 -7.837 4.477 620 H THR 85 HN THR 85 -2.113 -3.993 6.176 621 HA THR 85 HA THR 85 -0.037 -2.128 5.229 622 HB THR 85 HB THR 85 -2.274 -1.282 4.751 623 HG1 THR 85 HG1 THR 85 -0.551 0.127 5.611 624 1HG2 THR 85 HG21 THR 85 -3.930 -1.888 6.110 625 2HG2 THR 85 HG22 THR 85 -3.405 -0.539 7.118 626 3HG2 THR 85 HG23 THR 85 -2.840 -2.172 7.467 627 H VAL 86 HN VAL 86 0.907 -0.724 6.840 628 HA VAL 86 HA VAL 86 1.052 -2.034 9.470 629 HB VAL 86 HB VAL 86 3.043 -0.145 8.207 630 1HG1 VAL 86 HG11 VAL 86 4.427 -0.482 10.036 631 2HG1 VAL 86 HG12 VAL 86 3.581 -1.947 10.534 632 3HG1 VAL 86 HG13 VAL 86 2.832 -0.369 10.780 633 1HG2 VAL 86 HG21 VAL 86 3.163 -2.096 6.919 634 2HG2 VAL 86 HG22 VAL 86 2.906 -3.142 8.316 635 3HG2 VAL 86 HG23 VAL 86 4.438 -2.289 8.122 636 H HIS 87 HN HIS 87 0.281 -1.019 11.198 637 HA HIS 87 HA HIS 87 0.322 1.861 11.407 638 1HB HIS 87 HB2 HIS 87 -2.115 2.047 11.845 639 2HB HIS 87 HB1 HIS 87 -1.756 1.577 10.188 640 HD1 HIS 87 HD1 HIS 87 -2.437 -0.325 13.427 641 HD2 HIS 87 HD2 HIS 87 -3.436 -0.369 9.394 642 HE1 HIS 87 HE1 HIS 87 -4.014 -2.263 13.145 643 HE2 HIS 87 HE2 HIS 87 -4.539 -2.321 10.682 Start of MODEL 3 1 1H HIS 1 HT1 HIS 1 -26.794 -12.936 -2.485 2 2H HIS 1 HT2 HIS 1 -25.227 -13.122 -1.875 3 3H HIS 1 HT3 HIS 1 -25.854 -11.573 -2.133 4 HA HIS 1 HA HIS 1 -27.683 -12.741 -0.487 5 1HB HIS 1 HB2 HIS 1 -24.859 -13.438 0.353 6 2HB HIS 1 HB1 HIS 1 -26.279 -13.593 1.380 7 HD1 HIS 1 HD1 HIS 1 -25.015 -16.145 1.197 8 HD2 HIS 1 HD2 HIS 1 -27.451 -14.841 -1.908 9 HE1 HIS 1 HE1 HIS 1 -25.691 -18.223 -0.047 10 HE2 HIS 1 HE2 HIS 1 -27.099 -17.402 -1.967 11 H SER 2 HN SER 2 -24.546 -11.081 -0.485 12 HA SER 2 HA SER 2 -25.594 -9.120 1.424 13 1HB SER 2 HB2 SER 2 -22.773 -9.548 0.409 14 2HB SER 2 HB1 SER 2 -23.250 -8.363 1.624 15 HG SER 2 HG SER 2 -23.572 -11.176 1.848 16 H SER 3 HN SER 3 -26.810 -7.687 0.313 17 HA SER 3 HA SER 3 -25.961 -6.672 -2.258 18 1HB SER 3 HB2 SER 3 -28.053 -5.354 -2.164 19 2HB SER 3 HB1 SER 3 -28.341 -7.068 -1.862 20 HG SER 3 HG SER 3 -28.752 -6.654 0.216 21 H GLY 4 HN GLY 4 -25.667 -5.785 1.051 22 1HA GLY 4 HA2 GLY 4 -23.736 -4.026 1.081 23 2HA GLY 4 HA1 GLY 4 -24.985 -3.013 0.372 24 H HIS 5 HN HIS 5 -24.399 -5.121 3.179 25 HA HIS 5 HA HIS 5 -26.003 -3.243 4.784 26 1HB HIS 5 HB2 HIS 5 -26.502 -5.162 6.283 27 2HB HIS 5 HB1 HIS 5 -27.128 -5.382 4.653 28 HD1 HIS 5 HD1 HIS 5 -23.861 -6.288 6.407 29 HD2 HIS 5 HD2 HIS 5 -26.697 -7.909 3.838 30 HE1 HIS 5 HE1 HIS 5 -23.080 -8.631 5.935 31 HE2 HIS 5 HE2 HIS 5 -24.857 -9.621 4.450 32 H ILE 6 HN ILE 6 -25.381 -4.021 7.294 33 HA ILE 6 HA ILE 6 -22.994 -2.716 7.846 34 HB ILE 6 HB ILE 6 -24.358 -4.789 9.570 35 1HG1 ILE 6 HG12 ILE 6 -25.904 -3.013 8.899 36 2HG1 ILE 6 HG11 ILE 6 -25.509 -2.878 10.609 37 1HG2 ILE 6 HG21 ILE 6 -22.956 -4.283 11.236 38 2HG2 ILE 6 HG22 ILE 6 -22.988 -2.559 10.865 39 3HG2 ILE 6 HG23 ILE 6 -21.913 -3.633 9.971 40 1HD1 ILE 6 HD11 ILE 6 -23.990 -1.286 8.592 41 2HD1 ILE 6 HD12 ILE 6 -24.273 -0.956 10.302 42 3HD1 ILE 6 HD13 ILE 6 -25.582 -0.757 9.137 43 H ASP 7 HN ASP 7 -21.191 -3.428 6.793 44 HA ASP 7 HA ASP 7 -19.795 -5.645 7.884 45 1HB ASP 7 HB2 ASP 7 -21.300 -6.904 6.399 46 2HB ASP 7 HB1 ASP 7 -20.758 -5.941 5.028 47 H ASP 8 HN ASP 8 -19.783 -4.362 4.571 48 HA ASP 8 HA ASP 8 -17.649 -2.532 5.037 49 1HB ASP 8 HB2 ASP 8 -16.452 -4.741 5.133 50 2HB ASP 8 HB1 ASP 8 -16.947 -5.024 3.468 51 H ASP 9 HN ASP 9 -20.286 -2.698 3.779 52 HA ASP 9 HA ASP 9 -19.540 -1.900 1.041 53 1HB ASP 9 HB2 ASP 9 -22.099 -3.224 1.966 54 2HB ASP 9 HB1 ASP 9 -21.812 -2.620 0.338 55 H ASP 10 HN ASP 10 -22.408 -1.569 3.139 56 HA ASP 10 HA ASP 10 -22.934 1.068 2.170 57 1HB ASP 10 HB2 ASP 10 -24.744 -0.459 2.850 58 2HB ASP 10 HB1 ASP 10 -24.154 -0.413 4.508 59 H LYS 11 HN LYS 11 -21.339 -0.284 4.946 60 HA LYS 11 HA LYS 11 -21.178 2.266 6.314 61 1HB LYS 11 HB2 LYS 11 -19.920 -0.405 6.968 62 2HB LYS 11 HB1 LYS 11 -19.865 1.018 7.998 63 1HG LYS 11 HG2 LYS 11 -22.357 -0.461 7.175 64 2HG LYS 11 HG1 LYS 11 -21.554 -0.577 8.741 65 1HD LYS 11 HD2 LYS 11 -22.749 1.935 7.565 66 2HD LYS 11 HD1 LYS 11 -23.499 0.928 8.805 67 1HE LYS 11 HE2 LYS 11 -21.631 1.383 10.311 68 2HE LYS 11 HE1 LYS 11 -20.862 2.371 9.069 69 1HZ LYS 11 HZ1 LYS 11 -23.257 3.523 9.221 70 2HZ LYS 11 HZ2 LYS 11 -21.925 4.018 10.138 71 3HZ LYS 11 HZ3 LYS 11 -23.087 2.997 10.820 72 H HIS 12 HN HIS 12 -19.489 0.648 3.900 73 HA HIS 12 HA HIS 12 -16.907 1.836 4.520 74 1HB HIS 12 HB2 HIS 12 -17.056 -0.464 3.590 75 2HB HIS 12 HB1 HIS 12 -17.748 0.204 2.115 76 HD1 HIS 12 HD1 HIS 12 -14.598 0.841 4.166 77 HD2 HIS 12 HD2 HIS 12 -15.855 0.504 0.220 78 HE1 HIS 12 HE1 HIS 12 -12.525 1.132 2.774 79 HE2 HIS 12 HE2 HIS 12 -13.320 0.991 0.387 80 H MET 13 HN MET 13 -19.648 2.346 2.435 81 HA MET 13 HA MET 13 -18.375 4.159 0.639 82 1HB MET 13 HB2 MET 13 -20.421 2.928 0.042 83 2HB MET 13 HB1 MET 13 -21.309 3.804 1.280 84 1HG MET 13 HG2 MET 13 -21.758 4.726 -0.907 85 2HG MET 13 HG1 MET 13 -20.905 5.898 0.095 86 1HE MET 13 HE1 MET 13 -21.317 6.257 -2.835 87 2HE MET 13 HE2 MET 13 -19.778 6.440 -3.678 88 3HE MET 13 HE3 MET 13 -20.105 7.384 -2.224 89 H ALA 14 HN ALA 14 -20.093 4.473 3.679 90 HA ALA 14 HA ALA 14 -20.593 7.212 3.696 91 1HB ALA 14 HB1 ALA 14 -20.860 7.032 6.037 92 2HB ALA 14 HB2 ALA 14 -19.775 5.645 6.131 93 3HB ALA 14 HB3 ALA 14 -21.359 5.476 5.375 94 H GLU 15 HN GLU 15 -17.641 5.445 4.115 95 HA GLU 15 HA GLU 15 -16.202 7.826 5.004 96 1HB GLU 15 HB2 GLU 15 -15.261 4.974 4.668 97 2HB GLU 15 HB1 GLU 15 -14.293 6.293 5.312 98 1HG GLU 15 HG2 GLU 15 -15.837 6.522 7.184 99 2HG GLU 15 HG1 GLU 15 -16.822 5.211 6.535 100 H ARG 16 HN ARG 16 -14.890 5.314 2.959 101 HA ARG 16 HA ARG 16 -14.948 6.867 0.560 102 1HB ARG 16 HB2 ARG 16 -12.519 7.139 0.347 103 2HB ARG 16 HB1 ARG 16 -13.155 8.044 1.711 104 1HG ARG 16 HG2 ARG 16 -12.366 6.329 3.239 105 2HG ARG 16 HG1 ARG 16 -11.773 5.373 1.879 106 1HD ARG 16 HD2 ARG 16 -10.266 7.234 1.274 107 2HD ARG 16 HD1 ARG 16 -10.819 8.116 2.696 108 HE ARG 16 HE ARG 16 -8.819 6.150 2.642 109 1HH1 ARG 16 HH11 ARG 16 -11.580 7.093 4.553 110 2HH1 ARG 16 HH12 ARG 16 -10.940 6.445 6.025 111 1HH2 ARG 16 HH21 ARG 16 -7.973 5.301 4.576 112 2HH2 ARG 16 HH22 ARG 16 -8.891 5.426 6.039 113 H LEU 17 HN LEU 17 -14.610 5.617 -1.220 114 HA LEU 17 HA LEU 17 -14.154 2.771 -0.732 115 1HB LEU 17 HB2 LEU 17 -16.145 3.369 -1.999 116 2HB LEU 17 HB1 LEU 17 -15.169 4.239 -3.168 117 HG LEU 17 HG LEU 17 -14.104 2.115 -3.842 118 1HD1 LEU 17 HD11 LEU 17 -14.413 0.950 -1.681 119 2HD1 LEU 17 HD12 LEU 17 -14.944 0.001 -3.070 120 3HD1 LEU 17 HD13 LEU 17 -16.132 0.803 -2.043 121 1HD2 LEU 17 HD21 LEU 17 -16.795 2.939 -4.303 122 2HD2 LEU 17 HD22 LEU 17 -16.722 1.177 -4.323 123 3HD2 LEU 17 HD23 LEU 17 -15.684 2.115 -5.397 124 H SER 18 HN SER 18 -12.213 1.921 -1.061 125 HA SER 18 HA SER 18 -10.428 3.231 -3.007 126 1HB SER 18 HB2 SER 18 -9.608 3.552 -0.731 127 2HB SER 18 HB1 SER 18 -9.690 1.816 -0.436 128 HG SER 18 HG SER 18 -8.137 2.900 -2.531 129 H GLU 19 HN GLU 19 -11.184 1.847 -4.676 130 HA GLU 19 HA GLU 19 -10.794 -1.011 -4.383 131 1HB GLU 19 HB2 GLU 19 -11.624 -1.131 -6.715 132 2HB GLU 19 HB1 GLU 19 -12.729 -0.287 -5.641 133 1HG GLU 19 HG2 GLU 19 -11.961 1.851 -6.501 134 2HG GLU 19 HG1 GLU 19 -10.805 1.028 -7.547 135 H GLU 20 HN GLU 20 -9.501 1.589 -6.439 136 HA GLU 20 HA GLU 20 -7.314 -0.132 -7.289 137 1HB GLU 20 HB2 GLU 20 -8.036 2.698 -8.068 138 2HB GLU 20 HB1 GLU 20 -6.707 1.775 -8.758 139 1HG GLU 20 HG2 GLU 20 -9.628 1.070 -8.931 140 2HG GLU 20 HG1 GLU 20 -8.647 1.767 -10.219 141 H GLU 21 HN GLU 21 -7.483 3.233 -6.093 142 HA GLU 21 HA GLU 21 -5.681 2.849 -3.961 143 1HB GLU 21 HB2 GLU 21 -3.714 4.036 -4.888 144 2HB GLU 21 HB1 GLU 21 -4.014 2.495 -5.679 145 1HG GLU 21 HG2 GLU 21 -5.094 3.678 -7.539 146 2HG GLU 21 HG1 GLU 21 -4.732 5.214 -6.753 147 H ILE 22 HN ILE 22 -7.556 4.776 -6.029 148 HA ILE 22 HA ILE 22 -6.989 7.383 -5.326 149 HB ILE 22 HB ILE 22 -9.763 6.269 -5.747 150 1HG1 ILE 22 HG12 ILE 22 -7.771 7.262 -7.799 151 2HG1 ILE 22 HG11 ILE 22 -8.194 5.573 -7.534 152 1HG2 ILE 22 HG21 ILE 22 -8.839 8.877 -5.194 153 2HG2 ILE 22 HG22 ILE 22 -10.468 8.370 -5.640 154 3HG2 ILE 22 HG23 ILE 22 -9.320 8.846 -6.891 155 1HD1 ILE 22 HD11 ILE 22 -10.442 5.968 -8.267 156 2HD1 ILE 22 HD12 ILE 22 -9.323 6.596 -9.478 157 3HD1 ILE 22 HD13 ILE 22 -10.144 7.702 -8.377 158 H GLY 23 HN GLY 23 -8.188 4.925 -3.267 159 1HA GLY 23 HA2 GLY 23 -9.728 6.548 -1.510 160 2HA GLY 23 HA1 GLY 23 -9.095 4.952 -1.153 161 H GLY 24 HN GLY 24 -6.590 4.985 -0.832 162 1HA GLY 24 HA2 GLY 24 -6.113 7.016 1.218 163 2HA GLY 24 HA1 GLY 24 -5.228 5.513 1.025 164 H LEU 25 HN LEU 25 -5.357 6.639 -2.006 165 HA LEU 25 HA LEU 25 -2.684 7.240 -2.254 166 1HB LEU 25 HB2 LEU 25 -4.133 6.737 -4.151 167 2HB LEU 25 HB1 LEU 25 -4.969 8.262 -3.940 168 HG LEU 25 HG LEU 25 -2.020 8.237 -4.501 169 1HD1 LEU 25 HD11 LEU 25 -2.242 7.711 -6.669 170 2HD1 LEU 25 HD12 LEU 25 -3.771 8.578 -6.821 171 3HD1 LEU 25 HD13 LEU 25 -3.747 6.940 -6.168 172 1HD2 LEU 25 HD21 LEU 25 -3.886 10.212 -5.661 173 2HD2 LEU 25 HD22 LEU 25 -2.281 10.438 -4.966 174 3HD2 LEU 25 HD23 LEU 25 -3.682 10.265 -3.910 175 H LYS 26 HN LYS 26 -5.300 9.349 -1.303 176 HA LYS 26 HA LYS 26 -3.616 11.711 -1.470 177 1HB LYS 26 HB2 LYS 26 -6.495 11.348 -0.644 178 2HB LYS 26 HB1 LYS 26 -5.668 12.898 -0.655 179 1HG LYS 26 HG2 LYS 26 -6.952 12.745 -2.646 180 2HG LYS 26 HG1 LYS 26 -5.255 12.580 -3.095 181 1HD LYS 26 HD2 LYS 26 -5.531 10.141 -3.194 182 2HD LYS 26 HD1 LYS 26 -7.234 10.324 -2.768 183 1HE LYS 26 HE2 LYS 26 -5.902 11.455 -5.227 184 2HE LYS 26 HE1 LYS 26 -6.919 10.016 -5.181 185 1HZ LYS 26 HZ1 LYS 26 -8.637 11.641 -4.159 186 2HZ LYS 26 HZ2 LYS 26 -8.393 11.634 -5.832 187 3HZ LYS 26 HZ3 LYS 26 -7.686 12.840 -4.881 188 H GLU 27 HN GLU 27 -5.271 9.847 1.079 189 HA GLU 27 HA GLU 27 -4.138 11.555 3.126 190 1HB GLU 27 HB2 GLU 27 -6.421 10.785 3.376 191 2HB GLU 27 HB1 GLU 27 -5.891 9.109 3.314 192 1HG GLU 27 HG2 GLU 27 -6.384 9.797 5.590 193 2HG GLU 27 HG1 GLU 27 -4.678 9.396 5.399 194 H LEU 28 HN LEU 28 -4.211 7.999 2.885 195 HA LEU 28 HA LEU 28 -2.014 7.719 4.661 196 1HB LEU 28 HB2 LEU 28 -3.284 5.686 2.835 197 2HB LEU 28 HB1 LEU 28 -2.180 5.325 4.148 198 HG LEU 28 HG LEU 28 -4.919 6.562 4.456 199 1HD1 LEU 28 HD11 LEU 28 -4.658 4.079 5.782 200 2HD1 LEU 28 HD12 LEU 28 -4.102 3.859 4.122 201 3HD1 LEU 28 HD13 LEU 28 -5.716 4.497 4.435 202 1HD2 LEU 28 HD21 LEU 28 -4.159 5.625 6.903 203 2HD2 LEU 28 HD22 LEU 28 -4.053 7.307 6.384 204 3HD2 LEU 28 HD23 LEU 28 -2.640 6.257 6.268 205 H PHE 29 HN PHE 29 -2.254 6.636 1.277 206 HA PHE 29 HA PHE 29 0.250 5.846 0.776 207 1HB PHE 29 HB2 PHE 29 -1.699 5.925 -0.813 208 2HB PHE 29 HB1 PHE 29 -1.259 7.593 -1.158 209 HD1 PHE 29 HD1 PHE 29 1.200 4.931 -0.541 210 HD2 PHE 29 HD2 PHE 29 -0.815 7.273 -3.464 211 HE1 PHE 29 HE1 PHE 29 2.771 4.138 -2.250 212 HE2 PHE 29 HE2 PHE 29 0.755 6.485 -5.180 213 HZ PHE 29 HZ PHE 29 2.554 4.914 -4.579 214 H LYS 30 HN LYS 30 -0.747 9.279 0.567 215 HA LYS 30 HA LYS 30 1.821 10.219 -0.167 216 1HB LYS 30 HB2 LYS 30 -0.479 11.659 1.163 217 2HB LYS 30 HB1 LYS 30 0.963 12.453 0.546 218 1HG LYS 30 HG2 LYS 30 0.437 11.682 -1.705 219 2HG LYS 30 HG1 LYS 30 -0.999 10.863 -1.092 220 1HD LYS 30 HD2 LYS 30 -1.634 12.976 -2.074 221 2HD LYS 30 HD1 LYS 30 -1.874 13.045 -0.328 222 1HE LYS 30 HE2 LYS 30 -0.867 15.104 -1.115 223 2HE LYS 30 HE1 LYS 30 0.270 14.222 -0.096 224 1HZ LYS 30 HZ1 LYS 30 1.379 13.418 -2.079 225 2HZ LYS 30 HZ2 LYS 30 1.337 15.108 -2.078 226 3HZ LYS 30 HZ3 LYS 30 0.277 14.238 -3.067 227 H MET 31 HN MET 31 0.241 9.759 2.945 228 HA MET 31 HA MET 31 2.317 10.992 4.475 229 1HB MET 31 HB2 MET 31 -0.003 10.829 5.286 230 2HB MET 31 HB1 MET 31 0.141 9.078 5.343 231 1HG MET 31 HG2 MET 31 1.882 9.270 7.038 232 2HG MET 31 HG1 MET 31 1.754 11.027 6.974 233 1HE MET 31 HE1 MET 31 -1.306 11.467 6.625 234 2HE MET 31 HE2 MET 31 -0.436 12.389 7.852 235 3HE MET 31 HE3 MET 31 -1.932 11.554 8.272 236 H ILE 32 HN ILE 32 2.015 7.981 2.939 237 HA ILE 32 HA ILE 32 3.830 6.612 4.765 238 HB ILE 32 HB ILE 32 2.441 5.667 2.255 239 1HG1 ILE 32 HG12 ILE 32 2.030 4.961 5.171 240 2HG1 ILE 32 HG11 ILE 32 0.979 5.999 4.212 241 1HG2 ILE 32 HG21 ILE 32 4.414 4.419 2.289 242 2HG2 ILE 32 HG22 ILE 32 3.240 3.386 3.105 243 3HG2 ILE 32 HG23 ILE 32 4.417 4.299 4.049 244 1HD1 ILE 32 HD11 ILE 32 1.367 3.042 4.051 245 2HD1 ILE 32 HD12 ILE 32 0.735 3.947 2.675 246 3HD1 ILE 32 HD13 ILE 32 -0.124 3.969 4.216 247 H ASP 33 HN ASP 33 3.712 7.820 1.454 248 HA ASP 33 HA ASP 33 6.275 6.919 0.684 249 1HB ASP 33 HB2 ASP 33 4.501 7.628 -0.908 250 2HB ASP 33 HB1 ASP 33 4.717 9.291 -0.374 251 H THR 34 HN THR 34 8.182 7.575 1.416 252 HA THR 34 HA THR 34 8.503 9.714 3.221 253 HB THR 34 HB THR 34 10.611 8.296 1.572 254 HG1 THR 34 HG1 THR 34 10.818 7.001 3.438 255 1HG2 THR 34 HG21 THR 34 12.231 8.992 3.094 256 2HG2 THR 34 HG22 THR 34 11.029 9.556 4.255 257 3HG2 THR 34 HG23 THR 34 11.291 10.445 2.755 258 H ASP 35 HN ASP 35 8.167 9.640 -0.107 259 HA ASP 35 HA ASP 35 9.524 12.203 -0.469 260 1HB ASP 35 HB2 ASP 35 8.618 10.126 -2.446 261 2HB ASP 35 HB1 ASP 35 9.205 11.714 -2.918 262 H ASN 36 HN ASN 36 6.425 10.804 -0.170 263 HA ASN 36 HA ASN 36 4.315 11.617 -0.472 264 1HB ASN 36 HB2 ASN 36 5.349 13.284 1.156 265 2HB ASN 36 HB1 ASN 36 5.597 14.346 -0.225 266 1HD2 ASN 36 HD21 ASN 36 3.547 13.535 2.243 267 2HD2 ASN 36 HD22 ASN 36 2.101 14.282 1.661 268 H SER 37 HN SER 37 6.380 11.514 -2.755 269 HA SER 37 HA SER 37 5.508 13.503 -4.632 270 1HB SER 37 HB2 SER 37 6.850 12.178 -6.261 271 2HB SER 37 HB1 SER 37 7.762 12.584 -4.808 272 HG SER 37 HG SER 37 8.148 10.479 -4.994 273 H GLY 38 HN GLY 38 4.451 10.450 -3.566 274 1HA GLY 38 HA2 GLY 38 2.151 9.825 -4.075 275 2HA GLY 38 HA1 GLY 38 2.401 10.437 -5.703 276 H THR 39 HN THR 39 5.089 8.761 -4.602 277 HA THR 39 HA THR 39 4.191 6.118 -5.372 278 HB THR 39 HB THR 39 5.974 5.884 -7.110 279 HG1 THR 39 HG1 THR 39 6.395 8.515 -6.389 280 1HG2 THR 39 HG21 THR 39 4.780 6.742 -8.898 281 2HG2 THR 39 HG22 THR 39 4.194 8.123 -7.972 282 3HG2 THR 39 HG23 THR 39 3.550 6.512 -7.655 283 H ILE 40 HN ILE 40 5.298 4.601 -4.244 284 HA ILE 40 HA ILE 40 7.631 5.541 -2.719 285 HB ILE 40 HB ILE 40 5.780 3.193 -2.280 286 1HG1 ILE 40 HG12 ILE 40 6.307 5.594 -0.530 287 2HG1 ILE 40 HG11 ILE 40 4.983 5.517 -1.691 288 1HG2 ILE 40 HG21 ILE 40 7.631 2.255 -1.380 289 2HG2 ILE 40 HG22 ILE 40 7.209 3.288 -0.014 290 3HG2 ILE 40 HG23 ILE 40 8.443 3.805 -1.162 291 1HD1 ILE 40 HD11 ILE 40 3.757 4.644 -0.069 292 2HD1 ILE 40 HD12 ILE 40 5.166 4.440 0.972 293 3HD1 ILE 40 HD13 ILE 40 4.746 3.190 -0.200 294 H THR 41 HN THR 41 9.611 4.719 -3.069 295 HA THR 41 HA THR 41 9.844 2.439 -4.920 296 HB THR 41 HB THR 41 12.063 3.332 -5.505 297 HG1 THR 41 HG1 THR 41 11.784 5.791 -4.467 298 1HG2 THR 41 HG21 THR 41 9.949 4.152 -6.667 299 2HG2 THR 41 HG22 THR 41 11.415 5.115 -6.850 300 3HG2 THR 41 HG23 THR 41 10.158 5.627 -5.725 301 H PHE 42 HN PHE 42 11.301 0.798 -4.476 302 HA PHE 42 HA PHE 42 11.547 -0.309 -2.073 303 1HB PHE 42 HB2 PHE 42 12.260 -1.459 -4.053 304 2HB PHE 42 HB1 PHE 42 13.564 -0.309 -4.318 305 HD1 PHE 42 HD1 PHE 42 15.587 -1.320 -4.065 306 HD2 PHE 42 HD2 PHE 42 12.454 -2.288 -1.358 307 HE1 PHE 42 HE1 PHE 42 17.123 -2.764 -2.810 308 HE2 PHE 42 HE2 PHE 42 13.984 -3.732 -0.099 309 HZ PHE 42 HZ PHE 42 16.328 -3.978 -0.816 310 H ASP 43 HN ASP 43 13.802 2.100 -3.375 311 HA ASP 43 HA ASP 43 15.783 2.065 -1.481 312 1HB ASP 43 HB2 ASP 43 15.838 3.507 -3.468 313 2HB ASP 43 HB1 ASP 43 14.572 4.517 -2.777 314 H GLU 44 HN GLU 44 12.716 3.844 -1.318 315 HA GLU 44 HA GLU 44 13.256 4.630 1.428 316 1HB GLU 44 HB2 GLU 44 11.280 5.978 1.276 317 2HB GLU 44 HB1 GLU 44 12.190 6.195 -0.214 318 1HG GLU 44 HG2 GLU 44 10.699 4.777 -1.417 319 2HG GLU 44 HG1 GLU 44 9.874 4.301 0.066 320 H LEU 45 HN LEU 45 11.370 2.297 -0.347 321 HA LEU 45 HA LEU 45 9.340 1.597 1.282 322 1HB LEU 45 HB2 LEU 45 9.895 0.460 -0.846 323 2HB LEU 45 HB1 LEU 45 11.178 -0.409 -0.022 324 HG LEU 45 HG LEU 45 9.498 -1.452 1.461 325 1HD1 LEU 45 HD11 LEU 45 7.846 0.585 0.602 326 2HD1 LEU 45 HD12 LEU 45 7.363 -0.828 1.541 327 3HD1 LEU 45 HD13 LEU 45 7.211 -0.842 -0.216 328 1HD2 LEU 45 HD21 LEU 45 9.768 -3.036 -0.076 329 2HD2 LEU 45 HD22 LEU 45 9.783 -1.866 -1.396 330 3HD2 LEU 45 HD23 LEU 45 8.249 -2.474 -0.772 331 H LYS 46 HN LYS 46 12.634 0.300 1.584 332 HA LYS 46 HA LYS 46 12.332 -1.266 3.810 333 1HB LYS 46 HB2 LYS 46 14.755 -0.813 4.248 334 2HB LYS 46 HB1 LYS 46 14.388 -1.299 2.600 335 1HG LYS 46 HG2 LYS 46 14.492 1.058 1.904 336 2HG LYS 46 HG1 LYS 46 14.926 1.506 3.554 337 1HD LYS 46 HD2 LYS 46 16.503 -0.344 1.765 338 2HD LYS 46 HD1 LYS 46 16.896 1.344 2.094 339 1HE LYS 46 HE2 LYS 46 16.767 -0.874 4.136 340 2HE LYS 46 HE1 LYS 46 18.239 -0.175 3.464 341 1HZ LYS 46 HZ1 LYS 46 17.543 1.978 4.404 342 2HZ LYS 46 HZ2 LYS 46 17.795 0.800 5.591 343 3HZ LYS 46 HZ3 LYS 46 16.221 1.219 5.137 344 H ASP 47 HN ASP 47 13.418 2.138 3.873 345 HA ASP 47 HA ASP 47 13.497 2.465 6.617 346 1HB ASP 47 HB2 ASP 47 14.463 4.076 5.062 347 2HB ASP 47 HB1 ASP 47 12.856 4.523 4.497 348 H GLY 48 HN GLY 48 10.758 2.073 4.623 349 1HA GLY 48 HA2 GLY 48 8.884 3.582 6.147 350 2HA GLY 48 HA1 GLY 48 8.497 2.290 5.014 351 H LEU 49 HN LEU 49 9.656 0.129 6.001 352 HA LEU 49 HA LEU 49 8.173 -0.332 8.462 353 1HB LEU 49 HB2 LEU 49 8.079 -1.871 6.436 354 2HB LEU 49 HB1 LEU 49 9.715 -2.354 6.845 355 HG LEU 49 HG LEU 49 8.932 -3.174 9.024 356 1HD1 LEU 49 HD11 LEU 49 6.682 -1.585 8.401 357 2HD1 LEU 49 HD12 LEU 49 6.995 -2.511 9.871 358 3HD1 LEU 49 HD13 LEU 49 6.131 -3.256 8.525 359 1HD2 LEU 49 HD21 LEU 49 7.295 -4.950 8.003 360 2HD2 LEU 49 HD22 LEU 49 8.993 -4.920 7.529 361 3HD2 LEU 49 HD23 LEU 49 7.771 -4.205 6.478 362 H LYS 50 HN LYS 50 11.284 0.443 7.454 363 HA LYS 50 HA LYS 50 12.743 -0.946 9.496 364 1HB LYS 50 HB2 LYS 50 13.742 -0.324 7.304 365 2HB LYS 50 HB1 LYS 50 13.614 1.367 7.757 366 1HG LYS 50 HG2 LYS 50 15.134 -0.540 9.483 367 2HG LYS 50 HG1 LYS 50 15.870 0.131 8.029 368 1HD LYS 50 HD2 LYS 50 15.538 2.381 8.856 369 2HD LYS 50 HD1 LYS 50 14.676 1.766 10.267 370 1HE LYS 50 HE2 LYS 50 16.984 2.360 10.814 371 2HE LYS 50 HE1 LYS 50 16.692 0.634 11.025 372 1HZ LYS 50 HZ1 LYS 50 17.854 0.143 9.056 373 2HZ LYS 50 HZ2 LYS 50 18.819 1.264 9.877 374 3HZ LYS 50 HZ3 LYS 50 17.884 1.760 8.558 375 H ARG 51 HN ARG 51 11.142 2.089 9.127 376 HA ARG 51 HA ARG 51 12.289 3.756 10.950 377 1HB ARG 51 HB2 ARG 51 10.371 4.439 9.663 378 2HB ARG 51 HB1 ARG 51 9.348 3.262 10.473 379 1HG ARG 51 HG2 ARG 51 8.912 5.491 11.306 380 2HG ARG 51 HG1 ARG 51 9.608 4.484 12.576 381 1HD ARG 51 HD2 ARG 51 11.790 5.496 12.204 382 2HD ARG 51 HD1 ARG 51 11.132 6.467 10.888 383 HE ARG 51 HE ARG 51 10.483 7.964 12.466 384 1HH1 ARG 51 HH11 ARG 51 10.578 4.817 13.971 385 2HH1 ARG 51 HH12 ARG 51 10.106 5.410 15.528 386 1HH2 ARG 51 HH21 ARG 51 9.864 8.745 14.512 387 2HH2 ARG 51 HH22 ARG 51 9.699 7.640 15.835 388 H VAL 52 HN VAL 52 10.457 0.848 11.669 389 HA VAL 52 HA VAL 52 10.145 1.434 14.461 390 HB VAL 52 HB VAL 52 9.364 -0.865 14.694 391 1HG1 VAL 52 HG11 VAL 52 7.720 -0.650 12.533 392 2HG1 VAL 52 HG12 VAL 52 8.302 1.005 12.709 393 3HG1 VAL 52 HG13 VAL 52 7.501 0.204 14.060 394 1HG2 VAL 52 HG21 VAL 52 10.425 -2.367 13.402 395 2HG2 VAL 52 HG22 VAL 52 10.762 -1.188 12.133 396 3HG2 VAL 52 HG23 VAL 52 9.182 -1.967 12.217 397 H GLY 53 HN GLY 53 12.520 -0.239 12.506 398 1HA GLY 53 HA2 GLY 53 14.602 -1.056 13.014 399 2HA GLY 53 HA1 GLY 53 14.534 -0.051 14.453 400 H SER 54 HN SER 54 12.629 -2.895 13.433 401 HA SER 54 HA SER 54 12.990 -4.019 16.091 402 1HB SER 54 HB2 SER 54 10.752 -4.076 15.113 403 2HB SER 54 HB1 SER 54 11.357 -4.995 13.734 404 HG SER 54 HG SER 54 12.068 -6.240 15.985 405 H GLU 55 HN GLU 55 12.677 -6.177 13.399 406 HA GLU 55 HA GLU 55 15.504 -6.919 13.525 407 1HB GLU 55 HB2 GLU 55 13.221 -8.857 13.945 408 2HB GLU 55 HB1 GLU 55 14.905 -9.314 13.738 409 1HG GLU 55 HG2 GLU 55 15.487 -8.127 15.785 410 2HG GLU 55 HG1 GLU 55 13.802 -7.650 15.991 411 H LEU 56 HN LEU 56 14.205 -5.541 11.497 412 HA LEU 56 HA LEU 56 13.242 -7.245 9.444 413 1HB LEU 56 HB2 LEU 56 14.323 -4.438 9.367 414 2HB LEU 56 HB1 LEU 56 13.691 -5.266 7.955 415 HG LEU 56 HG LEU 56 11.507 -5.506 9.224 416 1HD1 LEU 56 HD11 LEU 56 12.952 -4.722 11.388 417 2HD1 LEU 56 HD12 LEU 56 11.194 -4.641 11.266 418 3HD1 LEU 56 HD13 LEU 56 12.169 -3.212 10.921 419 1HD2 LEU 56 HD21 LEU 56 10.892 -3.793 7.960 420 2HD2 LEU 56 HD22 LEU 56 12.589 -3.360 7.759 421 3HD2 LEU 56 HD23 LEU 56 11.650 -2.657 9.075 422 H MET 57 HN MET 57 14.207 -7.628 7.400 423 HA MET 57 HA MET 57 17.140 -7.733 7.454 424 1HB MET 57 HB2 MET 57 16.981 -9.891 6.200 425 2HB MET 57 HB1 MET 57 16.401 -9.980 7.857 426 1HG MET 57 HG2 MET 57 14.104 -9.857 7.078 427 2HG MET 57 HG1 MET 57 14.664 -9.715 5.414 428 1HE MET 57 HE1 MET 57 14.737 -11.735 8.605 429 2HE MET 57 HE2 MET 57 16.312 -12.356 8.113 430 3HE MET 57 HE3 MET 57 14.903 -13.417 8.102 431 H GLU 58 HN GLU 58 18.034 -6.729 5.807 432 HA GLU 58 HA GLU 58 16.664 -5.311 3.866 433 1HB GLU 58 HB2 GLU 58 19.504 -6.343 3.820 434 2HB GLU 58 HB1 GLU 58 18.863 -5.176 2.673 435 1HG GLU 58 HG2 GLU 58 20.117 -4.041 4.379 436 2HG GLU 58 HG1 GLU 58 18.410 -3.628 4.525 437 H SER 59 HN SER 59 17.045 -8.614 4.044 438 HA SER 59 HA SER 59 17.126 -9.145 1.203 439 1HB SER 59 HB2 SER 59 16.727 -11.005 3.557 440 2HB SER 59 HB1 SER 59 16.940 -11.520 1.883 441 HG SER 59 HG SER 59 19.000 -10.521 1.927 442 H GLU 60 HN GLU 60 14.711 -9.258 3.792 443 HA GLU 60 HA GLU 60 12.662 -10.298 2.076 444 1HB GLU 60 HB2 GLU 60 12.704 -10.749 4.511 445 2HB GLU 60 HB1 GLU 60 12.443 -9.038 4.819 446 1HG GLU 60 HG2 GLU 60 10.373 -10.208 5.076 447 2HG GLU 60 HG1 GLU 60 10.280 -9.192 3.639 448 H ILE 61 HN ILE 61 13.963 -7.217 2.797 449 HA ILE 61 HA ILE 61 11.663 -5.628 2.294 450 HB ILE 61 HB ILE 61 14.531 -4.785 1.891 451 1HG1 ILE 61 HG12 ILE 61 12.872 -4.710 4.425 452 2HG1 ILE 61 HG11 ILE 61 14.204 -5.820 4.123 453 1HG2 ILE 61 HG21 ILE 61 13.476 -2.928 1.212 454 2HG2 ILE 61 HG22 ILE 61 13.120 -2.677 2.920 455 3HG2 ILE 61 HG23 ILE 61 11.930 -3.454 1.876 456 1HD1 ILE 61 HD11 ILE 61 15.304 -4.247 5.323 457 2HD1 ILE 61 HD12 ILE 61 14.244 -2.940 4.795 458 3HD1 ILE 61 HD13 ILE 61 15.503 -3.546 3.718 459 H LYS 62 HN LYS 62 14.291 -6.837 0.255 460 HA LYS 62 HA LYS 62 13.278 -5.481 -2.084 461 1HB LYS 62 HB2 LYS 62 15.099 -6.556 -3.277 462 2HB LYS 62 HB1 LYS 62 15.698 -5.858 -1.781 463 1HG LYS 62 HG2 LYS 62 16.759 -7.888 -1.799 464 2HG LYS 62 HG1 LYS 62 15.331 -8.256 -0.834 465 1HD LYS 62 HD2 LYS 62 15.677 -10.023 -2.436 466 2HD LYS 62 HD1 LYS 62 14.229 -9.122 -2.881 467 1HE LYS 62 HE2 LYS 62 15.523 -7.871 -4.543 468 2HE LYS 62 HE1 LYS 62 16.968 -8.779 -4.100 469 1HZ LYS 62 HZ1 LYS 62 14.577 -10.262 -4.928 470 2HZ LYS 62 HZ2 LYS 62 16.209 -10.661 -5.117 471 3HZ LYS 62 HZ3 LYS 62 15.504 -9.497 -6.120 472 H ASP 63 HN ASP 63 13.086 -8.642 -0.624 473 HA ASP 63 HA ASP 63 11.953 -9.950 -2.901 474 1HB ASP 63 HB2 ASP 63 13.146 -11.187 -1.117 475 2HB ASP 63 HB1 ASP 63 11.873 -10.753 0.020 476 H LEU 64 HN LEU 64 10.743 -8.113 -0.202 477 HA LEU 64 HA LEU 64 7.999 -8.890 -0.632 478 1HB LEU 64 HB2 LEU 64 7.467 -7.596 1.233 479 2HB LEU 64 HB1 LEU 64 9.076 -8.198 1.596 480 HG LEU 64 HG LEU 64 9.889 -5.916 0.659 481 1HD1 LEU 64 HD11 LEU 64 7.028 -5.589 0.538 482 2HD1 LEU 64 HD12 LEU 64 8.307 -4.535 -0.063 483 3HD1 LEU 64 HD13 LEU 64 7.758 -4.390 1.606 484 1HD2 LEU 64 HD21 LEU 64 8.458 -5.536 3.221 485 2HD2 LEU 64 HD22 LEU 64 10.146 -5.239 2.807 486 3HD2 LEU 64 HD23 LEU 64 9.592 -6.883 3.124 487 H MET 65 HN MET 65 10.125 -6.224 -1.449 488 HA MET 65 HA MET 65 8.220 -4.421 -2.437 489 1HB MET 65 HB2 MET 65 10.624 -3.918 -1.948 490 2HB MET 65 HB1 MET 65 11.062 -4.805 -3.399 491 1HG MET 65 HG2 MET 65 9.239 -2.419 -3.424 492 2HG MET 65 HG1 MET 65 10.987 -2.301 -3.600 493 1HE MET 65 HE1 MET 65 9.351 -1.625 -7.146 494 2HE MET 65 HE2 MET 65 10.746 -1.111 -6.197 495 3HE MET 65 HE3 MET 65 9.128 -1.030 -5.501 496 H ASP 66 HN ASP 66 10.149 -6.904 -4.120 497 HA ASP 66 HA ASP 66 8.941 -6.423 -6.657 498 1HB ASP 66 HB2 ASP 66 11.180 -7.425 -6.427 499 2HB ASP 66 HB1 ASP 66 10.465 -8.847 -5.676 500 H ALA 67 HN ALA 67 8.223 -8.529 -3.961 501 HA ALA 67 HA ALA 67 6.521 -10.356 -5.210 502 1HB ALA 67 HB1 ALA 67 6.387 -9.306 -2.387 503 2HB ALA 67 HB2 ALA 67 7.352 -10.672 -2.948 504 3HB ALA 67 HB3 ALA 67 5.591 -10.762 -2.983 505 H ALA 68 HN ALA 68 6.032 -7.023 -4.487 506 HA ALA 68 HA ALA 68 3.149 -7.308 -5.028 507 1HB ALA 68 HB1 ALA 68 4.473 -4.931 -3.746 508 2HB ALA 68 HB2 ALA 68 3.845 -6.300 -2.829 509 3HB ALA 68 HB3 ALA 68 2.753 -5.319 -3.807 510 H ASP 69 HN ASP 69 5.750 -4.908 -5.496 511 HA ASP 69 HA ASP 69 4.542 -3.450 -7.517 512 1HB ASP 69 HB2 ASP 69 6.453 -2.511 -6.528 513 2HB ASP 69 HB1 ASP 69 7.434 -3.941 -6.850 514 H ILE 70 HN ILE 70 3.578 -4.514 -9.128 515 HA ILE 70 HA ILE 70 4.912 -6.629 -10.580 516 HB ILE 70 HB ILE 70 2.499 -6.789 -10.139 517 1HG1 ILE 70 HG12 ILE 70 3.140 -6.495 -13.084 518 2HG1 ILE 70 HG11 ILE 70 3.484 -7.918 -12.106 519 1HG2 ILE 70 HG21 ILE 70 2.162 -4.272 -10.378 520 2HG2 ILE 70 HG22 ILE 70 0.902 -5.319 -11.029 521 3HG2 ILE 70 HG23 ILE 70 2.071 -4.568 -12.114 522 1HD1 ILE 70 HD11 ILE 70 0.689 -6.899 -12.303 523 2HD1 ILE 70 HD12 ILE 70 1.271 -8.533 -11.988 524 3HD1 ILE 70 HD13 ILE 70 1.379 -7.856 -13.613 525 H ASP 71 HN ASP 71 4.365 -3.226 -10.869 526 HA ASP 71 HA ASP 71 4.738 -3.012 -13.675 527 1HB ASP 71 HB2 ASP 71 3.661 -1.271 -12.234 528 2HB ASP 71 HB1 ASP 71 5.246 -0.906 -11.561 529 H LYS 72 HN LYS 72 6.801 -3.902 -11.246 530 HA LYS 72 HA LYS 72 9.068 -3.804 -10.886 531 1HB LYS 72 HB2 LYS 72 10.278 -4.867 -12.848 532 2HB LYS 72 HB1 LYS 72 8.931 -5.764 -12.169 533 1HG LYS 72 HG2 LYS 72 8.726 -5.981 -14.490 534 2HG LYS 72 HG1 LYS 72 7.519 -4.780 -14.030 535 1HD LYS 72 HD2 LYS 72 9.054 -2.991 -14.714 536 2HD LYS 72 HD1 LYS 72 10.248 -4.202 -15.187 537 1HE LYS 72 HE2 LYS 72 9.005 -3.375 -17.122 538 2HE LYS 72 HE1 LYS 72 8.705 -5.091 -16.850 539 1HZ LYS 72 HZ1 LYS 72 6.624 -4.144 -17.286 540 2HZ LYS 72 HZ2 LYS 72 6.905 -2.812 -16.283 541 3HZ LYS 72 HZ3 LYS 72 6.654 -4.341 -15.605 542 H SER 73 HN SER 73 8.098 -1.225 -11.638 543 HA SER 73 HA SER 73 10.130 -0.155 -13.441 544 1HB SER 73 HB2 SER 73 8.939 1.983 -13.178 545 2HB SER 73 HB1 SER 73 7.834 0.690 -13.642 546 HG SER 73 HG SER 73 6.933 1.876 -11.959 547 H GLY 74 HN GLY 74 9.903 -0.875 -10.210 548 1HA GLY 74 HA2 GLY 74 11.849 -0.508 -8.813 549 2HA GLY 74 HA1 GLY 74 12.041 1.063 -9.583 550 H THR 75 HN THR 75 9.024 1.330 -9.408 551 HA THR 75 HA THR 75 8.903 2.128 -6.575 552 HB THR 75 HB THR 75 8.913 4.077 -8.022 553 HG1 THR 75 HG1 THR 75 7.523 4.210 -6.258 554 1HG2 THR 75 HG21 THR 75 8.196 3.543 -10.123 555 2HG2 THR 75 HG22 THR 75 6.770 4.357 -9.480 556 3HG2 THR 75 HG23 THR 75 6.829 2.595 -9.538 557 H ILE 76 HN ILE 76 6.440 2.403 -5.937 558 HA ILE 76 HA ILE 76 4.696 0.466 -7.179 559 HB ILE 76 HB ILE 76 6.025 -1.004 -5.765 560 1HG1 ILE 76 HG12 ILE 76 3.261 -0.518 -4.626 561 2HG1 ILE 76 HG11 ILE 76 3.625 -1.483 -6.052 562 1HG2 ILE 76 HG21 ILE 76 5.866 -0.722 -3.266 563 2HG2 ILE 76 HG22 ILE 76 5.243 0.900 -3.571 564 3HG2 ILE 76 HG23 ILE 76 6.866 0.464 -4.106 565 1HD1 ILE 76 HD11 ILE 76 4.355 -3.245 -4.838 566 2HD1 ILE 76 HD12 ILE 76 3.259 -2.544 -3.647 567 3HD1 ILE 76 HD13 ILE 76 4.992 -2.233 -3.542 568 H ASP 77 HN ASP 77 2.564 0.753 -6.683 569 HA ASP 77 HA ASP 77 1.927 2.887 -4.749 570 1HB ASP 77 HB2 ASP 77 0.676 2.422 -7.466 571 2HB ASP 77 HB1 ASP 77 0.079 3.572 -6.274 572 H TYR 78 HN TYR 78 -0.484 2.847 -4.197 573 HA TYR 78 HA TYR 78 -1.137 0.513 -2.874 574 1HB TYR 78 HB2 TYR 78 -2.706 2.890 -3.759 575 2HB TYR 78 HB1 TYR 78 -3.586 1.494 -3.152 576 HD1 TYR 78 HD1 TYR 78 -4.477 2.660 -1.259 577 HD2 TYR 78 HD2 TYR 78 -0.270 2.414 -1.838 578 HE1 TYR 78 HE1 TYR 78 -4.125 3.414 1.050 579 HE2 TYR 78 HE2 TYR 78 0.097 3.167 0.474 580 HH TYR 78 HH TYR 78 -1.047 4.364 2.223 581 H GLY 79 HN GLY 79 -1.908 1.461 -6.170 582 1HA GLY 79 HA2 GLY 79 -3.849 -0.470 -6.750 583 2HA GLY 79 HA1 GLY 79 -2.786 0.280 -7.930 584 H GLU 80 HN GLU 80 -0.349 -0.709 -6.672 585 HA GLU 80 HA GLU 80 -0.386 -3.375 -7.826 586 1HB GLU 80 HB2 GLU 80 1.915 -1.759 -6.715 587 2HB GLU 80 HB1 GLU 80 2.054 -3.269 -7.607 588 1HG GLU 80 HG2 GLU 80 1.091 -2.200 -9.577 589 2HG GLU 80 HG1 GLU 80 0.940 -0.688 -8.684 590 H PHE 81 HN PHE 81 0.866 -1.939 -4.818 591 HA PHE 81 HA PHE 81 1.515 -4.141 -3.379 592 1HB PHE 81 HB2 PHE 81 1.829 -1.887 -2.526 593 2HB PHE 81 HB1 PHE 81 0.090 -1.672 -2.370 594 HD1 PHE 81 HD1 PHE 81 2.451 -4.379 -1.338 595 HD2 PHE 81 HD2 PHE 81 -0.517 -1.561 -0.174 596 HE1 PHE 81 HE1 PHE 81 2.543 -5.240 0.966 597 HE2 PHE 81 HE2 PHE 81 -0.430 -2.416 2.133 598 HZ PHE 81 HZ PHE 81 1.102 -4.257 2.705 599 H ILE 82 HN ILE 82 -1.765 -2.823 -3.734 600 HA ILE 82 HA ILE 82 -2.935 -4.847 -2.057 601 HB ILE 82 HB ILE 82 -4.263 -2.875 -3.920 602 1HG1 ILE 82 HG12 ILE 82 -2.992 -1.771 -2.140 603 2HG1 ILE 82 HG11 ILE 82 -4.722 -1.585 -1.878 604 1HG2 ILE 82 HG21 ILE 82 -5.524 -4.378 -1.639 605 2HG2 ILE 82 HG22 ILE 82 -5.591 -4.927 -3.314 606 3HG2 ILE 82 HG23 ILE 82 -6.321 -3.387 -2.862 607 1HD1 ILE 82 HD11 ILE 82 -3.305 -3.832 -0.542 608 2HD1 ILE 82 HD12 ILE 82 -4.722 -2.919 -0.023 609 3HD1 ILE 82 HD13 ILE 82 -3.117 -2.196 0.091 610 H ALA 83 HN ALA 83 -2.407 -4.388 -5.484 611 HA ALA 83 HA ALA 83 -4.228 -6.183 -6.559 612 1HB ALA 83 HB1 ALA 83 -2.266 -6.505 -8.300 613 2HB ALA 83 HB2 ALA 83 -1.588 -5.133 -7.424 614 3HB ALA 83 HB3 ALA 83 -3.169 -4.994 -8.192 615 H ALA 84 HN ALA 84 -0.877 -6.834 -5.522 616 HA ALA 84 HA ALA 84 -1.008 -9.617 -6.057 617 1HB ALA 84 HB1 ALA 84 1.174 -9.115 -5.956 618 2HB ALA 84 HB2 ALA 84 0.989 -9.408 -4.226 619 3HB ALA 84 HB3 ALA 84 0.915 -7.762 -4.855 620 H THR 85 HN THR 85 -0.330 -8.332 -2.825 621 HA THR 85 HA THR 85 -1.770 -10.540 -1.642 622 HB THR 85 HB THR 85 -0.956 -9.604 0.505 623 HG1 THR 85 HG1 THR 85 -0.121 -7.680 0.607 624 1HG2 THR 85 HG21 THR 85 0.495 -11.057 -1.048 625 2HG2 THR 85 HG22 THR 85 1.263 -10.198 0.287 626 3HG2 THR 85 HG23 THR 85 1.379 -9.562 -1.354 627 H VAL 86 HN VAL 86 -3.660 -10.469 -0.535 628 HA VAL 86 HA VAL 86 -5.756 -9.770 0.010 629 HB VAL 86 HB VAL 86 -4.416 -7.127 0.595 630 1HG1 VAL 86 HG11 VAL 86 -7.113 -8.154 0.961 631 2HG1 VAL 86 HG12 VAL 86 -6.508 -6.499 1.051 632 3HG1 VAL 86 HG13 VAL 86 -6.398 -7.556 2.458 633 1HG2 VAL 86 HG21 VAL 86 -3.307 -8.116 2.243 634 2HG2 VAL 86 HG22 VAL 86 -3.987 -9.676 1.782 635 3HG2 VAL 86 HG23 VAL 86 -4.833 -8.654 2.945 636 H HIS 87 HN HIS 87 -6.465 -9.931 -2.185 637 HA HIS 87 HA HIS 87 -6.652 -7.403 -3.654 638 1HB HIS 87 HB2 HIS 87 -7.350 -8.806 -5.570 639 2HB HIS 87 HB1 HIS 87 -5.776 -9.269 -4.935 640 HD1 HIS 87 HD1 HIS 87 -6.808 -11.427 -6.493 641 HD2 HIS 87 HD2 HIS 87 -8.147 -10.895 -2.595 642 HE1 HIS 87 HE1 HIS 87 -7.736 -13.655 -5.790 643 HE2 HIS 87 HE2 HIS 87 -8.432 -13.339 -3.390 Start of MODEL 4 1 1H HIS 1 HT1 HIS 1 -31.397 10.909 7.256 2 2H HIS 1 HT2 HIS 1 -29.863 10.241 7.010 3 3H HIS 1 HT3 HIS 1 -30.703 9.922 8.443 4 HA HIS 1 HA HIS 1 -30.677 8.103 6.703 5 1HB HIS 1 HB2 HIS 1 -32.165 8.187 8.677 6 2HB HIS 1 HB1 HIS 1 -33.313 9.158 7.761 7 HD1 HIS 1 HD1 HIS 1 -33.941 7.771 5.325 8 HD2 HIS 1 HD2 HIS 1 -32.966 5.622 8.745 9 HE1 HIS 1 HE1 HIS 1 -34.896 5.473 4.969 10 HE2 HIS 1 HE2 HIS 1 -34.226 4.167 7.017 11 H SER 2 HN SER 2 -31.158 7.535 4.654 12 HA SER 2 HA SER 2 -33.122 8.977 3.105 13 1HB SER 2 HB2 SER 2 -31.546 9.634 1.320 14 2HB SER 2 HB1 SER 2 -31.180 10.445 2.843 15 HG SER 2 HG SER 2 -29.602 8.722 3.171 16 H SER 3 HN SER 3 -33.370 8.048 0.912 17 HA SER 3 HA SER 3 -32.627 5.197 0.906 18 1HB SER 3 HB2 SER 3 -35.050 5.576 1.151 19 2HB SER 3 HB1 SER 3 -35.052 6.520 -0.338 20 HG SER 3 HG SER 3 -35.145 3.837 -0.007 21 H GLY 4 HN GLY 4 -31.339 7.727 -0.261 22 1HA GLY 4 HA2 GLY 4 -31.134 6.723 -3.035 23 2HA GLY 4 HA1 GLY 4 -31.053 8.431 -2.629 24 H HIS 5 HN HIS 5 -29.519 6.477 -0.337 25 HA HIS 5 HA HIS 5 -26.971 6.264 -1.633 26 1HB HIS 5 HB2 HIS 5 -26.942 8.657 -1.151 27 2HB HIS 5 HB1 HIS 5 -27.337 8.344 0.536 28 HD1 HIS 5 HD1 HIS 5 -24.600 7.104 -1.817 29 HD2 HIS 5 HD2 HIS 5 -25.110 8.590 2.030 30 HE1 HIS 5 HE1 HIS 5 -22.299 7.144 -0.801 31 HE2 HIS 5 HE2 HIS 5 -22.622 8.125 1.498 32 H ILE 6 HN ILE 6 -28.013 6.833 1.728 33 HA ILE 6 HA ILE 6 -26.478 4.597 2.668 34 HB ILE 6 HB ILE 6 -28.499 6.292 4.144 35 1HG1 ILE 6 HG12 ILE 6 -25.479 6.492 4.042 36 2HG1 ILE 6 HG11 ILE 6 -26.596 7.586 3.233 37 1HG2 ILE 6 HG21 ILE 6 -27.179 3.892 4.884 38 2HG2 ILE 6 HG22 ILE 6 -28.228 4.917 5.864 39 3HG2 ILE 6 HG23 ILE 6 -26.489 5.209 5.833 40 1HD1 ILE 6 HD11 ILE 6 -26.763 8.822 5.056 41 2HD1 ILE 6 HD12 ILE 6 -25.537 7.804 5.812 42 3HD1 ILE 6 HD13 ILE 6 -27.247 7.422 6.014 43 H ASP 7 HN ASP 7 -27.423 2.866 1.481 44 HA ASP 7 HA ASP 7 -29.502 1.523 2.887 45 1HB ASP 7 HB2 ASP 7 -30.899 3.063 1.570 46 2HB ASP 7 HB1 ASP 7 -30.148 2.480 0.088 47 H ASP 8 HN ASP 8 -28.589 1.488 -0.556 48 HA ASP 8 HA ASP 8 -26.790 -0.688 -0.308 49 1HB ASP 8 HB2 ASP 8 -28.129 -2.422 -1.433 50 2HB ASP 8 HB1 ASP 8 -28.832 -1.965 0.115 51 H ASP 9 HN ASP 9 -27.004 1.903 -1.595 52 HA ASP 9 HA ASP 9 -26.971 1.191 -4.440 53 1HB ASP 9 HB2 ASP 9 -26.987 3.907 -3.104 54 2HB ASP 9 HB1 ASP 9 -26.999 3.633 -4.844 55 H ASP 10 HN ASP 10 -25.155 3.689 -2.696 56 HA ASP 10 HA ASP 10 -22.764 2.954 -4.166 57 1HB ASP 10 HB2 ASP 10 -23.258 5.195 -2.193 58 2HB ASP 10 HB1 ASP 10 -21.791 4.984 -3.145 59 H LYS 11 HN LYS 11 -24.160 2.364 -1.116 60 HA LYS 11 HA LYS 11 -21.652 1.837 0.236 61 1HB LYS 11 HB2 LYS 11 -24.507 1.350 1.107 62 2HB LYS 11 HB1 LYS 11 -23.089 1.143 2.124 63 1HG LYS 11 HG2 LYS 11 -23.976 3.740 0.883 64 2HG LYS 11 HG1 LYS 11 -24.251 3.255 2.557 65 1HD LYS 11 HD2 LYS 11 -21.546 3.596 1.259 66 2HD LYS 11 HD1 LYS 11 -22.322 4.772 2.321 67 1HE LYS 11 HE2 LYS 11 -21.520 1.960 3.063 68 2HE LYS 11 HE1 LYS 11 -20.682 3.437 3.538 69 1HZ LYS 11 HZ1 LYS 11 -23.481 2.764 4.269 70 2HZ LYS 11 HZ2 LYS 11 -22.611 4.121 4.781 71 3HZ LYS 11 HZ3 LYS 11 -22.142 2.578 5.287 72 H HIS 12 HN HIS 12 -24.076 0.106 -1.535 73 HA HIS 12 HA HIS 12 -23.300 -2.500 -0.594 74 1HB HIS 12 HB2 HIS 12 -25.597 -1.983 -1.414 75 2HB HIS 12 HB1 HIS 12 -24.937 -1.758 -3.029 76 HD1 HIS 12 HD1 HIS 12 -23.437 -4.076 -3.761 77 HD2 HIS 12 HD2 HIS 12 -26.646 -4.444 -1.147 78 HE1 HIS 12 HE1 HIS 12 -24.110 -6.496 -3.860 79 HE2 HIS 12 HE2 HIS 12 -26.064 -6.695 -2.282 80 H MET 13 HN MET 13 -22.553 -0.421 -3.314 81 HA MET 13 HA MET 13 -21.197 -2.330 -4.897 82 1HB MET 13 HB2 MET 13 -21.994 -0.189 -5.793 83 2HB MET 13 HB1 MET 13 -20.852 0.674 -4.772 84 1HG MET 13 HG2 MET 13 -18.997 -0.410 -5.965 85 2HG MET 13 HG1 MET 13 -20.164 -1.215 -7.014 86 1HE MET 13 HE1 MET 13 -22.020 2.042 -8.305 87 2HE MET 13 HE2 MET 13 -22.284 0.518 -7.458 88 3HE MET 13 HE3 MET 13 -21.650 0.514 -9.103 89 H ALA 14 HN ALA 14 -20.263 -0.401 -2.156 90 HA ALA 14 HA ALA 14 -17.462 -0.564 -2.441 91 1HB ALA 14 HB1 ALA 14 -17.866 0.977 -0.855 92 2HB ALA 14 HB2 ALA 14 -17.790 -0.400 0.244 93 3HB ALA 14 HB3 ALA 14 -19.352 0.190 -0.323 94 H GLU 15 HN GLU 15 -19.786 -2.609 -0.701 95 HA GLU 15 HA GLU 15 -17.829 -4.389 0.332 96 1HB GLU 15 HB2 GLU 15 -20.797 -4.780 -0.084 97 2HB GLU 15 HB1 GLU 15 -19.759 -5.858 0.841 98 1HG GLU 15 HG2 GLU 15 -19.258 -4.033 2.393 99 2HG GLU 15 HG1 GLU 15 -20.319 -2.968 1.472 100 H ARG 16 HN ARG 16 -19.408 -4.087 -2.702 101 HA ARG 16 HA ARG 16 -18.978 -6.796 -3.560 102 1HB ARG 16 HB2 ARG 16 -19.690 -4.290 -5.092 103 2HB ARG 16 HB1 ARG 16 -19.594 -5.890 -5.812 104 1HG ARG 16 HG2 ARG 16 -21.462 -5.101 -3.585 105 2HG ARG 16 HG1 ARG 16 -21.896 -5.221 -5.291 106 1HD ARG 16 HD2 ARG 16 -20.896 -7.470 -3.545 107 2HD ARG 16 HD1 ARG 16 -22.561 -7.227 -4.072 108 HE ARG 16 HE ARG 16 -20.934 -7.343 -6.341 109 1HH1 ARG 16 HH11 ARG 16 -22.021 -9.422 -3.761 110 2HH1 ARG 16 HH12 ARG 16 -21.925 -10.865 -4.714 111 1HH2 ARG 16 HH21 ARG 16 -20.804 -9.237 -7.598 112 2HH2 ARG 16 HH22 ARG 16 -21.232 -10.761 -6.893 113 H LEU 17 HN LEU 17 -17.199 -3.817 -3.610 114 HA LEU 17 HA LEU 17 -15.291 -4.698 -5.582 115 1HB LEU 17 HB2 LEU 17 -15.816 -2.330 -5.353 116 2HB LEU 17 HB1 LEU 17 -15.269 -2.348 -3.688 117 HG LEU 17 HG LEU 17 -12.974 -2.857 -4.475 118 1HD1 LEU 17 HD11 LEU 17 -13.924 -3.828 -6.689 119 2HD1 LEU 17 HD12 LEU 17 -12.377 -2.980 -6.700 120 3HD1 LEU 17 HD13 LEU 17 -13.837 -2.156 -7.247 121 1HD2 LEU 17 HD21 LEU 17 -13.026 -0.635 -4.095 122 2HD2 LEU 17 HD22 LEU 17 -14.464 -0.390 -5.086 123 3HD2 LEU 17 HD23 LEU 17 -12.883 -0.546 -5.851 124 H SER 18 HN SER 18 -14.135 -6.441 -4.980 125 HA SER 18 HA SER 18 -13.135 -6.740 -2.288 126 1HB SER 18 HB2 SER 18 -12.673 -8.412 -4.770 127 2HB SER 18 HB1 SER 18 -12.165 -8.852 -3.139 128 HG SER 18 HG SER 18 -14.857 -8.223 -3.644 129 H GLU 19 HN GLU 19 -11.628 -5.202 -1.852 130 HA GLU 19 HA GLU 19 -9.495 -4.617 -3.720 131 1HB GLU 19 HB2 GLU 19 -10.568 -2.860 -2.317 132 2HB GLU 19 HB1 GLU 19 -9.901 -3.638 -0.889 133 1HG GLU 19 HG2 GLU 19 -8.532 -1.770 -1.455 134 2HG GLU 19 HG1 GLU 19 -7.631 -3.247 -1.793 135 H GLU 20 HN GLU 20 -10.048 -6.769 -1.138 136 HA GLU 20 HA GLU 20 -7.343 -7.039 -0.245 137 1HB GLU 20 HB2 GLU 20 -9.254 -7.586 1.198 138 2HB GLU 20 HB1 GLU 20 -9.712 -8.886 0.108 139 1HG GLU 20 HG2 GLU 20 -8.565 -9.742 2.067 140 2HG GLU 20 HG1 GLU 20 -7.637 -10.054 0.601 141 H GLU 21 HN GLU 21 -9.012 -8.140 -2.990 142 HA GLU 21 HA GLU 21 -8.005 -10.664 -3.476 143 1HB GLU 21 HB2 GLU 21 -8.460 -8.439 -5.471 144 2HB GLU 21 HB1 GLU 21 -8.242 -10.133 -5.887 145 1HG GLU 21 HG2 GLU 21 -10.476 -9.038 -4.194 146 2HG GLU 21 HG1 GLU 21 -10.593 -9.436 -5.907 147 H ILE 22 HN ILE 22 -6.489 -7.545 -4.231 148 HA ILE 22 HA ILE 22 -4.201 -8.549 -5.503 149 HB ILE 22 HB ILE 22 -4.948 -6.169 -5.546 150 1HG1 ILE 22 HG12 ILE 22 -2.091 -6.600 -4.649 151 2HG1 ILE 22 HG11 ILE 22 -2.689 -6.848 -6.285 152 1HG2 ILE 22 HG21 ILE 22 -3.514 -5.723 -2.969 153 2HG2 ILE 22 HG22 ILE 22 -5.206 -6.221 -2.947 154 3HG2 ILE 22 HG23 ILE 22 -4.736 -4.730 -3.764 155 1HD1 ILE 22 HD11 ILE 22 -1.695 -4.480 -5.105 156 2HD1 ILE 22 HD12 ILE 22 -3.400 -4.225 -5.477 157 3HD1 ILE 22 HD13 ILE 22 -2.286 -4.727 -6.749 158 H GLY 23 HN GLY 23 -5.146 -8.760 -2.290 159 1HA GLY 23 HA2 GLY 23 -2.890 -8.514 -0.743 160 2HA GLY 23 HA1 GLY 23 -4.172 -9.666 -0.428 161 H GLY 24 HN GLY 24 -3.079 -10.588 -3.359 162 1HA GLY 24 HA2 GLY 24 -1.863 -12.943 -2.504 163 2HA GLY 24 HA1 GLY 24 -1.700 -12.260 -4.114 164 H LEU 25 HN LEU 25 -0.613 -9.900 -2.197 165 HA LEU 25 HA LEU 25 1.948 -9.744 -2.935 166 1HB LEU 25 HB2 LEU 25 2.397 -8.536 -0.802 167 2HB LEU 25 HB1 LEU 25 0.972 -8.000 -1.665 168 HG LEU 25 HG LEU 25 -0.374 -9.466 -0.069 169 1HD1 LEU 25 HD11 LEU 25 2.325 -9.911 0.954 170 2HD1 LEU 25 HD12 LEU 25 0.850 -10.848 1.189 171 3HD1 LEU 25 HD13 LEU 25 1.161 -9.429 2.188 172 1HD2 LEU 25 HD21 LEU 25 0.808 -6.862 0.290 173 2HD2 LEU 25 HD22 LEU 25 0.479 -7.634 1.841 174 3HD2 LEU 25 HD23 LEU 25 -0.821 -7.422 0.668 175 H LYS 26 HN LYS 26 0.759 -12.066 -0.644 176 HA LYS 26 HA LYS 26 2.964 -12.721 0.840 177 1HB LYS 26 HB2 LYS 26 0.911 -14.587 -0.347 178 2HB LYS 26 HB1 LYS 26 2.046 -15.035 0.918 179 1HG LYS 26 HG2 LYS 26 1.070 -13.340 2.390 180 2HG LYS 26 HG1 LYS 26 -0.075 -12.906 1.119 181 1HD LYS 26 HD2 LYS 26 -1.109 -14.399 2.748 182 2HD LYS 26 HD1 LYS 26 -0.991 -15.178 1.169 183 1HE LYS 26 HE2 LYS 26 1.024 -16.364 1.918 184 2HE LYS 26 HE1 LYS 26 0.881 -15.597 3.499 185 1HZ LYS 26 HZ1 LYS 26 -0.535 -17.160 4.125 186 2HZ LYS 26 HZ2 LYS 26 -0.303 -17.956 2.651 187 3HZ LYS 26 HZ3 LYS 26 -1.559 -16.837 2.818 188 H GLU 27 HN GLU 27 2.693 -13.032 -2.562 189 HA GLU 27 HA GLU 27 4.600 -15.187 -2.783 190 1HB GLU 27 HB2 GLU 27 3.479 -13.366 -4.915 191 2HB GLU 27 HB1 GLU 27 4.409 -14.830 -5.199 192 1HG GLU 27 HG2 GLU 27 1.726 -14.710 -3.839 193 2HG GLU 27 HG1 GLU 27 2.002 -15.158 -5.521 194 H LEU 28 HN LEU 28 4.694 -11.900 -4.194 195 HA LEU 28 HA LEU 28 7.597 -12.018 -4.184 196 1HB LEU 28 HB2 LEU 28 5.664 -10.020 -5.338 197 2HB LEU 28 HB1 LEU 28 7.404 -9.836 -5.416 198 HG LEU 28 HG LEU 28 6.615 -10.684 -7.518 199 1HD1 LEU 28 HD11 LEU 28 8.373 -12.019 -7.736 200 2HD1 LEU 28 HD12 LEU 28 7.672 -13.237 -6.670 201 3HD1 LEU 28 HD13 LEU 28 8.586 -11.890 -5.990 202 1HD2 LEU 28 HD21 LEU 28 4.597 -11.845 -6.213 203 2HD2 LEU 28 HD22 LEU 28 5.645 -13.249 -6.414 204 3HD2 LEU 28 HD23 LEU 28 5.106 -12.341 -7.827 205 H PHE 29 HN PHE 29 5.098 -9.825 -2.931 206 HA PHE 29 HA PHE 29 6.547 -7.840 -1.836 207 1HB PHE 29 HB2 PHE 29 4.033 -8.194 -1.792 208 2HB PHE 29 HB1 PHE 29 4.287 -9.118 -0.316 209 HD1 PHE 29 HD1 PHE 29 3.390 -7.846 1.391 210 HD2 PHE 29 HD2 PHE 29 5.897 -5.984 -1.496 211 HE1 PHE 29 HE1 PHE 29 3.327 -5.757 2.688 212 HE2 PHE 29 HE2 PHE 29 5.843 -3.897 -0.206 213 HZ PHE 29 HZ PHE 29 4.557 -3.777 1.891 214 H LYS 30 HN LYS 30 5.816 -10.874 -0.072 215 HA LYS 30 HA LYS 30 7.367 -10.146 2.184 216 1HB LYS 30 HB2 LYS 30 6.494 -12.891 1.275 217 2HB LYS 30 HB1 LYS 30 7.142 -12.503 2.863 218 1HG LYS 30 HG2 LYS 30 5.210 -10.909 3.134 219 2HG LYS 30 HG1 LYS 30 4.531 -11.619 1.668 220 1HD LYS 30 HD2 LYS 30 5.204 -13.088 4.218 221 2HD LYS 30 HD1 LYS 30 3.587 -12.670 3.653 222 1HE LYS 30 HE2 LYS 30 3.883 -14.094 1.702 223 2HE LYS 30 HE1 LYS 30 5.525 -14.478 2.214 224 1HZ LYS 30 HZ1 LYS 30 2.978 -15.281 3.482 225 2HZ LYS 30 HZ2 LYS 30 4.447 -15.353 4.317 226 3HZ LYS 30 HZ3 LYS 30 4.227 -16.270 2.913 227 H MET 31 HN MET 31 8.230 -11.451 -0.883 228 HA MET 31 HA MET 31 10.696 -12.632 -0.011 229 1HB MET 31 HB2 MET 31 9.628 -13.631 -1.881 230 2HB MET 31 HB1 MET 31 9.449 -12.084 -2.695 231 1HG MET 31 HG2 MET 31 11.895 -11.966 -2.930 232 2HG MET 31 HG1 MET 31 12.012 -13.569 -2.204 233 1HE MET 31 HE1 MET 31 12.620 -13.137 -6.180 234 2HE MET 31 HE2 MET 31 13.356 -14.227 -5.005 235 3HE MET 31 HE3 MET 31 13.186 -12.511 -4.632 236 H ILE 32 HN ILE 32 9.618 -9.534 -1.154 237 HA ILE 32 HA ILE 32 12.350 -8.623 -1.632 238 HB ILE 32 HB ILE 32 10.590 -7.944 -3.228 239 1HG1 ILE 32 HG12 ILE 32 11.137 -5.531 -3.264 240 2HG1 ILE 32 HG11 ILE 32 11.779 -5.664 -1.630 241 1HG2 ILE 32 HG21 ILE 32 9.280 -7.070 -0.758 242 2HG2 ILE 32 HG22 ILE 32 8.585 -7.548 -2.306 243 3HG2 ILE 32 HG23 ILE 32 9.201 -5.910 -2.084 244 1HD1 ILE 32 HD11 ILE 32 13.112 -7.627 -3.071 245 2HD1 ILE 32 HD12 ILE 32 13.751 -6.068 -2.549 246 3HD1 ILE 32 HD13 ILE 32 13.038 -6.236 -4.154 247 H ASP 33 HN ASP 33 9.778 -8.419 0.666 248 HA ASP 33 HA ASP 33 10.526 -6.152 2.114 249 1HB ASP 33 HB2 ASP 33 8.383 -7.362 2.403 250 2HB ASP 33 HB1 ASP 33 9.252 -8.696 3.153 251 H THR 34 HN THR 34 12.343 -5.742 3.188 252 HA THR 34 HA THR 34 14.390 -7.609 3.609 253 HB THR 34 HB THR 34 13.903 -4.989 5.047 254 HG1 THR 34 HG1 THR 34 15.728 -5.267 2.961 255 1HG2 THR 34 HG21 THR 34 16.328 -6.730 4.851 256 2HG2 THR 34 HG22 THR 34 15.600 -5.991 6.278 257 3HG2 THR 34 HG23 THR 34 16.455 -4.989 5.105 258 H ASP 35 HN ASP 35 11.482 -7.166 5.226 259 HA ASP 35 HA ASP 35 12.455 -8.433 7.681 260 1HB ASP 35 HB2 ASP 35 11.162 -6.290 7.859 261 2HB ASP 35 HB1 ASP 35 9.770 -7.145 7.204 262 H ASN 36 HN ASN 36 10.542 -8.960 4.851 263 HA ASN 36 HA ASN 36 9.325 -10.741 4.120 264 1HB ASN 36 HB2 ASN 36 11.466 -11.911 4.509 265 2HB ASN 36 HB1 ASN 36 10.982 -12.238 6.169 266 1HD2 ASN 36 HD21 ASN 36 10.289 -14.211 6.477 267 2HD2 ASN 36 HD22 ASN 36 9.453 -15.196 5.330 268 H SER 37 HN SER 37 8.695 -9.237 6.779 269 HA SER 37 HA SER 37 7.075 -11.117 8.237 270 1HB SER 37 HB2 SER 37 6.367 -9.142 9.540 271 2HB SER 37 HB1 SER 37 8.122 -9.214 9.391 272 HG SER 37 HG SER 37 8.098 -7.424 8.281 273 H GLY 38 HN GLY 38 6.739 -9.128 5.500 274 1HA GLY 38 HA2 GLY 38 4.845 -9.596 4.029 275 2HA GLY 38 HA1 GLY 38 3.833 -9.696 5.462 276 H THR 39 HN THR 39 5.959 -7.208 5.896 277 HA THR 39 HA THR 39 4.378 -5.200 4.489 278 HB THR 39 HB THR 39 4.118 -3.855 6.556 279 HG1 THR 39 HG1 THR 39 4.707 -6.138 8.070 280 1HG2 THR 39 HG21 THR 39 2.902 -6.520 7.139 281 2HG2 THR 39 HG22 THR 39 2.354 -5.545 5.775 282 3HG2 THR 39 HG23 THR 39 2.245 -4.908 7.416 283 H ILE 40 HN ILE 40 5.628 -3.552 3.759 284 HA ILE 40 HA ILE 40 8.435 -3.560 4.659 285 HB ILE 40 HB ILE 40 7.181 -2.586 2.094 286 1HG1 ILE 40 HG12 ILE 40 9.374 -4.600 2.617 287 2HG1 ILE 40 HG11 ILE 40 7.685 -5.018 2.335 288 1HG2 ILE 40 HG21 ILE 40 9.699 -2.143 1.538 289 2HG2 ILE 40 HG22 ILE 40 9.844 -1.962 3.286 290 3HG2 ILE 40 HG23 ILE 40 8.745 -0.922 2.381 291 1HD1 ILE 40 HD11 ILE 40 8.296 -3.440 0.175 292 2HD1 ILE 40 HD12 ILE 40 8.268 -5.204 0.197 293 3HD1 ILE 40 HD13 ILE 40 9.787 -4.342 0.447 294 H THR 41 HN THR 41 9.245 -1.886 5.752 295 HA THR 41 HA THR 41 7.588 0.527 5.991 296 HB THR 41 HB THR 41 7.930 -0.365 8.134 297 HG1 THR 41 HG1 THR 41 10.052 1.464 8.040 298 1HG2 THR 41 HG21 THR 41 10.286 -0.732 9.018 299 2HG2 THR 41 HG22 THR 41 10.777 -0.792 7.325 300 3HG2 THR 41 HG23 THR 41 9.615 -1.963 7.949 301 H PHE 42 HN PHE 42 8.805 2.549 6.331 302 HA PHE 42 HA PHE 42 10.108 3.464 4.195 303 1HB PHE 42 HB2 PHE 42 9.392 4.957 5.918 304 2HB PHE 42 HB1 PHE 42 10.514 4.253 7.078 305 HD1 PHE 42 HD1 PHE 42 11.015 5.385 3.570 306 HD2 PHE 42 HD2 PHE 42 11.992 5.898 7.676 307 HE1 PHE 42 HE1 PHE 42 12.706 7.049 2.954 308 HE2 PHE 42 HE2 PHE 42 13.685 7.567 7.070 309 HZ PHE 42 HZ PHE 42 14.050 8.151 4.703 310 H ASP 43 HN ASP 43 11.893 2.400 7.111 311 HA ASP 43 HA ASP 43 14.454 2.665 6.101 312 1HB ASP 43 HB2 ASP 43 13.938 2.167 8.467 313 2HB ASP 43 HB1 ASP 43 13.475 0.530 8.013 314 H GLU 44 HN GLU 44 12.171 0.032 5.723 315 HA GLU 44 HA GLU 44 14.063 -1.571 4.207 316 1HB GLU 44 HB2 GLU 44 11.153 -2.062 4.867 317 2HB GLU 44 HB1 GLU 44 12.253 -3.226 4.139 318 1HG GLU 44 HG2 GLU 44 13.581 -3.311 6.128 319 2HG GLU 44 HG1 GLU 44 12.662 -1.994 6.852 320 H LEU 45 HN LEU 45 11.799 0.862 3.626 321 HA LEU 45 HA LEU 45 10.827 0.068 1.092 322 1HB LEU 45 HB2 LEU 45 9.679 1.747 2.438 323 2HB LEU 45 HB1 LEU 45 11.057 2.823 2.298 324 HG LEU 45 HG LEU 45 10.688 2.928 -0.155 325 1HD1 LEU 45 HD11 LEU 45 9.254 0.663 0.126 326 2HD1 LEU 45 HD12 LEU 45 9.116 1.755 -1.252 327 3HD1 LEU 45 HD13 LEU 45 7.959 1.858 0.075 328 1HD2 LEU 45 HD21 LEU 45 8.256 4.009 0.201 329 2HD2 LEU 45 HD22 LEU 45 9.755 4.793 0.701 330 3HD2 LEU 45 HD23 LEU 45 8.790 3.902 1.878 331 H LYS 46 HN LYS 46 13.320 2.408 2.061 332 HA LYS 46 HA LYS 46 14.196 3.124 -0.480 333 1HB LYS 46 HB2 LYS 46 16.286 3.836 0.639 334 2HB LYS 46 HB1 LYS 46 14.842 4.388 1.475 335 1HG LYS 46 HG2 LYS 46 15.090 2.596 3.108 336 2HG LYS 46 HG1 LYS 46 16.528 2.022 2.263 337 1HD LYS 46 HD2 LYS 46 17.246 3.321 4.138 338 2HD LYS 46 HD1 LYS 46 17.574 4.251 2.677 339 1HE LYS 46 HE2 LYS 46 15.132 4.625 4.405 340 2HE LYS 46 HE1 LYS 46 16.607 5.574 4.568 341 1HZ LYS 46 HZ1 LYS 46 15.442 6.915 3.181 342 2HZ LYS 46 HZ2 LYS 46 14.568 5.649 2.477 343 3HZ LYS 46 HZ3 LYS 46 16.167 5.935 2.007 344 H ASP 47 HN ASP 47 14.688 0.193 1.242 345 HA ASP 47 HA ASP 47 17.115 -0.660 0.080 346 1HB ASP 47 HB2 ASP 47 16.058 -1.669 2.101 347 2HB ASP 47 HB1 ASP 47 14.817 -2.365 1.068 348 H GLY 48 HN GLY 48 13.998 -0.285 -1.163 349 1HA GLY 48 HA2 GLY 48 14.349 -2.217 -3.324 350 2HA GLY 48 HA1 GLY 48 12.908 -1.254 -3.011 351 H LEU 49 HN LEU 49 14.044 1.250 -2.790 352 HA LEU 49 HA LEU 49 14.390 1.927 -5.551 353 1HB LEU 49 HB2 LEU 49 14.671 3.626 -3.066 354 2HB LEU 49 HB1 LEU 49 14.629 4.238 -4.708 355 HG LEU 49 HG LEU 49 12.362 2.815 -3.307 356 1HD1 LEU 49 HD11 LEU 49 12.939 5.150 -2.538 357 2HD1 LEU 49 HD12 LEU 49 11.297 4.915 -3.137 358 3HD1 LEU 49 HD13 LEU 49 12.505 5.694 -4.159 359 1HD2 LEU 49 HD21 LEU 49 12.759 3.777 -6.104 360 2HD2 LEU 49 HD22 LEU 49 11.152 3.850 -5.382 361 3HD2 LEU 49 HD23 LEU 49 11.987 2.303 -5.520 362 H LYS 50 HN LYS 50 16.414 1.098 -2.932 363 HA LYS 50 HA LYS 50 18.769 2.343 -4.048 364 1HB LYS 50 HB2 LYS 50 18.505 2.219 -1.603 365 2HB LYS 50 HB1 LYS 50 18.509 0.464 -1.701 366 1HG LYS 50 HG2 LYS 50 20.793 0.508 -2.557 367 2HG LYS 50 HG1 LYS 50 20.790 2.270 -2.482 368 1HD LYS 50 HD2 LYS 50 21.927 1.501 -0.544 369 2HD LYS 50 HD1 LYS 50 20.340 2.058 -0.014 370 1HE LYS 50 HE2 LYS 50 21.035 -0.821 -0.585 371 2HE LYS 50 HE1 LYS 50 21.068 -0.091 1.019 372 1HZ LYS 50 HZ1 LYS 50 18.614 0.557 0.241 373 2HZ LYS 50 HZ2 LYS 50 18.973 -0.870 1.074 374 3HZ LYS 50 HZ3 LYS 50 18.800 -0.894 -0.608 375 H ARG 51 HN ARG 51 17.395 -0.867 -3.636 376 HA ARG 51 HA ARG 51 19.542 -2.368 -4.630 377 1HB ARG 51 HB2 ARG 51 17.574 -3.292 -3.420 378 2HB ARG 51 HB1 ARG 51 16.593 -3.006 -4.849 379 1HG ARG 51 HG2 ARG 51 19.040 -4.729 -4.969 380 2HG ARG 51 HG1 ARG 51 17.490 -5.369 -4.425 381 1HD ARG 51 HD2 ARG 51 16.465 -4.772 -6.535 382 2HD ARG 51 HD1 ARG 51 17.957 -4.006 -7.076 383 HE ARG 51 HE ARG 51 17.315 -6.736 -7.287 384 1HH1 ARG 51 HH11 ARG 51 19.991 -4.650 -6.479 385 2HH1 ARG 51 HH12 ARG 51 21.196 -5.797 -6.960 386 1HH2 ARG 51 HH21 ARG 51 18.898 -8.246 -7.925 387 2HH2 ARG 51 HH22 ARG 51 20.575 -7.837 -7.785 388 H VAL 52 HN VAL 52 16.887 -0.741 -6.300 389 HA VAL 52 HA VAL 52 17.358 -1.867 -8.845 390 HB VAL 52 HB VAL 52 16.026 -0.035 -9.753 391 1HG1 VAL 52 HG11 VAL 52 15.183 -1.680 -7.480 392 2HG1 VAL 52 HG12 VAL 52 14.458 -1.489 -9.076 393 3HG1 VAL 52 HG13 VAL 52 14.135 -0.301 -7.812 394 1HG2 VAL 52 HG21 VAL 52 15.579 1.920 -8.697 395 2HG2 VAL 52 HG22 VAL 52 17.099 1.548 -7.884 396 3HG2 VAL 52 HG23 VAL 52 15.565 1.181 -7.096 397 H GLY 53 HN GLY 53 18.940 0.687 -7.103 398 1HA GLY 53 HA2 GLY 53 21.095 1.469 -7.675 399 2HA GLY 53 HA1 GLY 53 20.820 0.947 -9.328 400 H SER 54 HN SER 54 18.986 3.126 -7.163 401 HA SER 54 HA SER 54 19.265 5.202 -9.213 402 1HB SER 54 HB2 SER 54 17.078 6.052 -8.547 403 2HB SER 54 HB1 SER 54 16.936 4.352 -8.992 404 HG SER 54 HG SER 54 15.841 4.647 -7.082 405 H GLU 55 HN GLU 55 20.486 6.797 -8.565 406 HA GLU 55 HA GLU 55 21.147 7.133 -5.774 407 1HB GLU 55 HB2 GLU 55 22.105 8.322 -8.348 408 2HB GLU 55 HB1 GLU 55 22.606 9.006 -6.805 409 1HG GLU 55 HG2 GLU 55 23.053 6.170 -7.720 410 2HG GLU 55 HG1 GLU 55 24.260 7.454 -7.716 411 H LEU 56 HN LEU 56 18.468 7.628 -6.579 412 HA LEU 56 HA LEU 56 17.817 10.319 -6.922 413 1HB LEU 56 HB2 LEU 56 16.217 8.294 -5.367 414 2HB LEU 56 HB1 LEU 56 15.622 9.705 -6.218 415 HG LEU 56 HG LEU 56 16.840 7.298 -7.559 416 1HD1 LEU 56 HD11 LEU 56 13.955 8.145 -7.346 417 2HD1 LEU 56 HD12 LEU 56 14.692 6.779 -6.509 418 3HD1 LEU 56 HD13 LEU 56 14.572 6.775 -8.269 419 1HD2 LEU 56 HD21 LEU 56 15.178 9.064 -9.152 420 2HD2 LEU 56 HD22 LEU 56 16.790 8.429 -9.480 421 3HD2 LEU 56 HD23 LEU 56 16.597 9.884 -8.503 422 H MET 57 HN MET 57 16.342 11.365 -5.128 423 HA MET 57 HA MET 57 18.108 11.892 -2.908 424 1HB MET 57 HB2 MET 57 16.499 13.651 -2.307 425 2HB MET 57 HB1 MET 57 17.005 13.782 -3.984 426 1HG MET 57 HG2 MET 57 14.437 12.487 -3.112 427 2HG MET 57 HG1 MET 57 14.577 14.186 -3.550 428 1HE MET 57 HE1 MET 57 16.336 14.536 -5.524 429 2HE MET 57 HE2 MET 57 15.061 14.753 -6.724 430 3HE MET 57 HE3 MET 57 16.351 13.584 -7.009 431 H GLU 58 HN GLU 58 17.945 11.038 -0.951 432 HA GLU 58 HA GLU 58 16.254 8.910 -0.334 433 1HB GLU 58 HB2 GLU 58 16.995 9.291 2.019 434 2HB GLU 58 HB1 GLU 58 18.311 9.201 0.860 435 1HG GLU 58 HG2 GLU 58 18.925 10.969 2.209 436 2HG GLU 58 HG1 GLU 58 18.172 11.770 0.832 437 H SER 59 HN SER 59 15.555 12.132 -0.561 438 HA SER 59 HA SER 59 13.589 12.390 1.507 439 1HB SER 59 HB2 SER 59 14.022 14.050 -0.990 440 2HB SER 59 HB1 SER 59 12.980 14.492 0.362 441 HG SER 59 HG SER 59 15.788 14.329 0.257 442 H GLU 60 HN GLU 60 13.533 11.674 -1.941 443 HA GLU 60 HA GLU 60 10.749 11.644 -2.289 444 1HB GLU 60 HB2 GLU 60 12.373 11.711 -4.154 445 2HB GLU 60 HB1 GLU 60 12.867 10.068 -3.772 446 1HG GLU 60 HG2 GLU 60 11.382 10.029 -5.647 447 2HG GLU 60 HG1 GLU 60 10.577 9.299 -4.261 448 H ILE 61 HN ILE 61 12.842 9.579 -0.615 449 HA ILE 61 HA ILE 61 11.162 7.219 -0.838 450 HB ILE 61 HB ILE 61 13.542 7.595 0.970 451 1HG1 ILE 61 HG12 ILE 61 13.492 6.610 -1.892 452 2HG1 ILE 61 HG11 ILE 61 14.180 8.132 -1.346 453 1HG2 ILE 61 HG21 ILE 61 11.836 5.330 0.135 454 2HG2 ILE 61 HG22 ILE 61 12.673 5.621 1.660 455 3HG2 ILE 61 HG23 ILE 61 13.566 5.014 0.266 456 1HD1 ILE 61 HD11 ILE 61 15.298 5.924 0.120 457 2HD1 ILE 61 HD12 ILE 61 16.102 7.157 -0.851 458 3HD1 ILE 61 HD13 ILE 61 15.484 5.695 -1.618 459 H LYS 62 HN LYS 62 11.876 9.766 1.487 460 HA LYS 62 HA LYS 62 10.377 8.450 3.583 461 1HB LYS 62 HB2 LYS 62 10.930 10.452 4.928 462 2HB LYS 62 HB1 LYS 62 12.343 9.668 4.241 463 1HG LYS 62 HG2 LYS 62 12.799 11.897 3.904 464 2HG LYS 62 HG1 LYS 62 12.101 11.425 2.355 465 1HD LYS 62 HD2 LYS 62 9.935 12.324 3.062 466 2HD LYS 62 HD1 LYS 62 10.634 12.793 4.612 467 1HE LYS 62 HE2 LYS 62 11.458 13.822 1.899 468 2HE LYS 62 HE1 LYS 62 10.507 14.698 3.098 469 1HZ LYS 62 HZ1 LYS 62 13.365 14.174 3.019 470 2HZ LYS 62 HZ2 LYS 62 12.640 14.072 4.543 471 3HZ LYS 62 HZ3 LYS 62 12.523 15.501 3.646 472 H ASP 63 HN ASP 63 9.869 11.058 1.290 473 HA ASP 63 HA ASP 63 7.393 11.870 2.540 474 1HB ASP 63 HB2 ASP 63 7.186 13.426 0.648 475 2HB ASP 63 HB1 ASP 63 8.769 13.548 1.406 476 H LEU 64 HN LEU 64 8.411 9.530 0.307 477 HA LEU 64 HA LEU 64 5.847 9.273 -1.026 478 1HB LEU 64 HB2 LEU 64 8.086 8.881 -2.143 479 2HB LEU 64 HB1 LEU 64 8.231 7.431 -1.165 480 HG LEU 64 HG LEU 64 6.149 6.555 -2.213 481 1HD1 LEU 64 HD11 LEU 64 5.616 9.081 -2.934 482 2HD1 LEU 64 HD12 LEU 64 4.947 7.675 -3.762 483 3HD1 LEU 64 HD13 LEU 64 6.360 8.499 -4.423 484 1HD2 LEU 64 HD21 LEU 64 8.252 5.792 -3.055 485 2HD2 LEU 64 HD22 LEU 64 8.462 7.261 -4.010 486 3HD2 LEU 64 HD23 LEU 64 7.197 6.107 -4.433 487 H MET 65 HN MET 65 7.699 7.749 1.517 488 HA MET 65 HA MET 65 6.048 5.436 1.769 489 1HB MET 65 HB2 MET 65 8.390 5.472 2.512 490 2HB MET 65 HB1 MET 65 7.988 6.673 3.730 491 1HG MET 65 HG2 MET 65 8.212 4.384 4.619 492 2HG MET 65 HG1 MET 65 6.632 5.109 4.923 493 1HE MET 65 HE1 MET 65 6.410 2.806 5.708 494 2HE MET 65 HE2 MET 65 6.859 1.391 4.756 495 3HE MET 65 HE3 MET 65 5.178 1.922 4.806 496 H ASP 66 HN ASP 66 6.081 8.630 3.224 497 HA ASP 66 HA ASP 66 4.171 8.013 5.263 498 1HB ASP 66 HB2 ASP 66 5.756 9.855 5.541 499 2HB ASP 66 HB1 ASP 66 5.064 10.682 4.149 500 H ALA 67 HN ALA 67 4.012 9.216 1.978 501 HA ALA 67 HA ALA 67 1.205 9.891 2.175 502 1HB ALA 67 HB1 ALA 67 3.342 10.509 0.401 503 2HB ALA 67 HB2 ALA 67 1.728 11.216 0.477 504 3HB ALA 67 HB3 ALA 67 2.024 9.799 -0.531 505 H ALA 68 HN ALA 68 3.022 7.092 1.567 506 HA ALA 68 HA ALA 68 0.875 5.835 0.021 507 1HB ALA 68 HB1 ALA 68 3.220 4.205 0.657 508 2HB ALA 68 HB2 ALA 68 3.581 5.674 -0.249 509 3HB ALA 68 HB3 ALA 68 2.427 4.504 -0.890 510 H ASP 69 HN ASP 69 2.153 5.985 3.202 511 HA ASP 69 HA ASP 69 0.497 3.676 3.983 512 1HB ASP 69 HB2 ASP 69 2.817 3.179 4.391 513 2HB ASP 69 HB1 ASP 69 3.047 4.707 5.241 514 H ILE 70 HN ILE 70 -1.352 4.871 4.291 515 HA ILE 70 HA ILE 70 -1.365 7.166 6.047 516 HB ILE 70 HB ILE 70 -3.636 5.693 4.699 517 1HG1 ILE 70 HG12 ILE 70 -3.742 7.833 3.346 518 2HG1 ILE 70 HG11 ILE 70 -2.196 8.273 4.063 519 1HG2 ILE 70 HG21 ILE 70 -4.852 7.901 5.278 520 2HG2 ILE 70 HG22 ILE 70 -3.610 8.065 6.519 521 3HG2 ILE 70 HG23 ILE 70 -4.680 6.663 6.522 522 1HD1 ILE 70 HD11 ILE 70 -2.243 7.175 1.737 523 2HD1 ILE 70 HD12 ILE 70 -2.514 5.675 2.625 524 3HD1 ILE 70 HD13 ILE 70 -1.055 6.622 2.917 525 H ASP 71 HN ASP 71 -1.787 3.761 6.287 526 HA ASP 71 HA ASP 71 -3.508 3.561 8.479 527 1HB ASP 71 HB2 ASP 71 -2.686 1.676 7.042 528 2HB ASP 71 HB1 ASP 71 -1.150 1.766 7.895 529 H LYS 72 HN LYS 72 -0.325 4.783 8.288 530 HA LYS 72 HA LYS 72 1.107 5.655 9.827 531 1HB LYS 72 HB2 LYS 72 -1.252 5.395 11.699 532 2HB LYS 72 HB1 LYS 72 0.194 6.351 11.996 533 1HG LYS 72 HG2 LYS 72 -1.721 6.808 9.723 534 2HG LYS 72 HG1 LYS 72 -1.738 7.682 11.251 535 1HD LYS 72 HD2 LYS 72 0.534 8.489 10.815 536 2HD LYS 72 HD1 LYS 72 0.549 7.609 9.285 537 1HE LYS 72 HE2 LYS 72 -1.311 8.964 8.478 538 2HE LYS 72 HE1 LYS 72 -1.363 9.826 10.016 539 1HZ LYS 72 HZ1 LYS 72 0.056 11.250 9.112 540 2HZ LYS 72 HZ2 LYS 72 0.318 10.267 7.762 541 3HZ LYS 72 HZ3 LYS 72 1.236 10.039 9.164 542 H SER 73 HN SER 73 0.353 2.634 9.670 543 HA SER 73 HA SER 73 1.124 1.586 12.224 544 1HB SER 73 HB2 SER 73 0.993 0.228 9.522 545 2HB SER 73 HB1 SER 73 1.187 -0.595 11.069 546 HG SER 73 HG SER 73 -0.932 1.107 11.068 547 H GLY 74 HN GLY 74 2.880 3.147 9.913 548 1HA GLY 74 HA2 GLY 74 5.185 3.527 9.933 549 2HA GLY 74 HA1 GLY 74 5.379 2.150 11.009 550 H THR 75 HN THR 75 3.717 0.483 9.177 551 HA THR 75 HA THR 75 5.733 0.045 7.073 552 HB THR 75 HB THR 75 5.173 -2.351 7.187 553 HG1 THR 75 HG1 THR 75 3.828 -2.072 9.588 554 1HG2 THR 75 HG21 THR 75 7.026 -1.827 8.534 555 2HG2 THR 75 HG22 THR 75 5.975 -2.841 9.523 556 3HG2 THR 75 HG23 THR 75 6.012 -1.096 9.779 557 H ILE 76 HN ILE 76 5.004 -0.332 4.998 558 HA ILE 76 HA ILE 76 2.189 0.303 4.553 559 HB ILE 76 HB ILE 76 3.860 1.661 3.362 560 1HG1 ILE 76 HG12 ILE 76 2.154 -0.099 1.582 561 2HG1 ILE 76 HG11 ILE 76 1.633 1.374 2.397 562 1HG2 ILE 76 HG21 ILE 76 5.686 0.313 2.928 563 2HG2 ILE 76 HG22 ILE 76 4.934 0.437 1.338 564 3HG2 ILE 76 HG23 ILE 76 4.695 -1.011 2.315 565 1HD1 ILE 76 HD11 ILE 76 3.459 2.550 1.065 566 2HD1 ILE 76 HD12 ILE 76 2.022 2.015 0.192 567 3HD1 ILE 76 HD13 ILE 76 3.516 1.083 0.088 568 H ASP 77 HN ASP 77 0.790 -0.971 3.456 569 HA ASP 77 HA ASP 77 1.757 -3.569 2.481 570 1HB ASP 77 HB2 ASP 77 -0.174 -4.699 3.515 571 2HB ASP 77 HB1 ASP 77 0.872 -3.962 4.725 572 H TYR 78 HN TYR 78 0.373 -4.582 0.931 573 HA TYR 78 HA TYR 78 -0.481 -3.079 -1.151 574 1HB TYR 78 HB2 TYR 78 -1.328 -5.779 -0.187 575 2HB TYR 78 HB1 TYR 78 -2.144 -5.065 -1.572 576 HD1 TYR 78 HD1 TYR 78 -1.439 -6.593 -3.220 577 HD2 TYR 78 HD2 TYR 78 1.462 -4.648 -0.793 578 HE1 TYR 78 HE1 TYR 78 0.334 -7.401 -4.710 579 HE2 TYR 78 HE2 TYR 78 3.250 -5.450 -2.280 580 HH TYR 78 HH TYR 78 3.602 -6.274 -4.461 581 H GLY 79 HN GLY 79 -2.467 -3.991 1.634 582 1HA GLY 79 HA2 GLY 79 -4.969 -3.210 0.783 583 2HA GLY 79 HA1 GLY 79 -4.416 -3.077 2.444 584 H GLU 80 HN GLU 80 -2.494 -1.133 2.259 585 HA GLU 80 HA GLU 80 -4.145 1.219 1.835 586 1HB GLU 80 HB2 GLU 80 -2.213 2.392 2.939 587 2HB GLU 80 HB1 GLU 80 -2.989 1.153 3.916 588 1HG GLU 80 HG2 GLU 80 -1.193 -0.422 3.210 589 2HG GLU 80 HG1 GLU 80 -0.385 0.938 2.433 590 H PHE 81 HN PHE 81 -0.876 0.159 0.897 591 HA PHE 81 HA PHE 81 -0.044 2.142 -0.733 592 1HB PHE 81 HB2 PHE 81 1.292 0.161 -0.296 593 2HB PHE 81 HB1 PHE 81 0.191 -0.827 -1.249 594 HD1 PHE 81 HD1 PHE 81 1.843 2.463 -1.875 595 HD2 PHE 81 HD2 PHE 81 1.241 -1.553 -3.144 596 HE1 PHE 81 HE1 PHE 81 3.188 2.903 -3.888 597 HE2 PHE 81 HE2 PHE 81 2.585 -1.122 -5.160 598 HZ PHE 81 HZ PHE 81 3.561 1.108 -5.533 599 H ILE 82 HN ILE 82 -2.449 -0.305 -1.569 600 HA ILE 82 HA ILE 82 -2.642 0.037 -4.292 601 HB ILE 82 HB ILE 82 -3.907 -1.605 -2.816 602 1HG1 ILE 82 HG12 ILE 82 -4.247 -1.366 -5.279 603 2HG1 ILE 82 HG11 ILE 82 -5.670 -1.935 -4.418 604 1HG2 ILE 82 HG21 ILE 82 -6.259 0.150 -2.779 605 2HG2 ILE 82 HG22 ILE 82 -4.974 0.583 -1.652 606 3HG2 ILE 82 HG23 ILE 82 -5.693 -1.026 -1.594 607 1HD1 ILE 82 HD11 ILE 82 -6.867 -0.295 -5.281 608 2HD1 ILE 82 HD12 ILE 82 -5.454 0.230 -6.195 609 3HD1 ILE 82 HD13 ILE 82 -5.772 0.907 -4.599 610 H ALA 83 HN ALA 83 -4.133 2.005 -1.747 611 HA ALA 83 HA ALA 83 -5.765 3.640 -3.251 612 1HB ALA 83 HB1 ALA 83 -6.088 4.622 -1.286 613 2HB ALA 83 HB2 ALA 83 -4.423 5.201 -1.244 614 3HB ALA 83 HB3 ALA 83 -4.816 3.598 -0.621 615 H ALA 84 HN ALA 84 -2.281 3.838 -2.775 616 HA ALA 84 HA ALA 84 -1.995 6.347 -4.129 617 1HB ALA 84 HB1 ALA 84 -0.422 5.080 -2.403 618 2HB ALA 84 HB2 ALA 84 0.210 6.231 -3.580 619 3HB ALA 84 HB3 ALA 84 0.313 4.499 -3.897 620 H THR 85 HN THR 85 -2.383 6.544 -6.234 621 HA THR 85 HA THR 85 -2.138 4.304 -8.035 622 HB THR 85 HB THR 85 -2.838 7.197 -8.577 623 HG1 THR 85 HG1 THR 85 -4.785 5.289 -8.788 624 1HG2 THR 85 HG21 THR 85 -3.197 6.749 -10.729 625 2HG2 THR 85 HG22 THR 85 -3.862 5.152 -10.387 626 3HG2 THR 85 HG23 THR 85 -2.115 5.380 -10.467 627 H VAL 86 HN VAL 86 -0.187 3.714 -8.720 628 HA VAL 86 HA VAL 86 2.013 5.553 -8.892 629 HB VAL 86 HB VAL 86 1.804 2.684 -9.829 630 1HG1 VAL 86 HG11 VAL 86 4.417 3.904 -9.177 631 2HG1 VAL 86 HG12 VAL 86 3.660 4.417 -10.685 632 3HG1 VAL 86 HG13 VAL 86 3.996 2.709 -10.403 633 1HG2 VAL 86 HG21 VAL 86 1.840 2.200 -7.655 634 2HG2 VAL 86 HG22 VAL 86 2.128 3.883 -7.215 635 3HG2 VAL 86 HG23 VAL 86 3.485 2.835 -7.624 636 H HIS 87 HN HIS 87 2.878 6.505 -10.667 637 HA HIS 87 HA HIS 87 1.248 6.631 -13.037 638 1HB HIS 87 HB2 HIS 87 3.927 7.917 -12.466 639 2HB HIS 87 HB1 HIS 87 2.840 8.330 -13.788 640 HD1 HIS 87 HD1 HIS 87 0.245 8.900 -12.647 641 HD2 HIS 87 HD2 HIS 87 3.710 9.765 -10.523 642 HE1 HIS 87 HE1 HIS 87 -0.419 10.638 -10.954 643 HE2 HIS 87 HE2 HIS 87 1.691 11.137 -9.670 Start of MODEL 5 1 1H HIS 1 HT1 HIS 1 35.081 9.500 0.829 2 2H HIS 1 HT2 HIS 1 33.894 8.295 0.860 3 3H HIS 1 HT3 HIS 1 35.179 8.186 -0.233 4 HA HIS 1 HA HIS 1 36.509 8.354 2.077 5 1HB HIS 1 HB2 HIS 1 34.332 8.294 3.280 6 2HB HIS 1 HB1 HIS 1 34.012 6.713 2.577 7 HD1 HIS 1 HD1 HIS 1 33.880 6.428 5.393 8 HD2 HIS 1 HD2 HIS 1 37.603 6.583 3.553 9 HE1 HIS 1 HE1 HIS 1 35.484 5.400 7.033 10 HE2 HIS 1 HE2 HIS 1 37.735 5.525 5.909 11 H SER 2 HN SER 2 34.446 5.721 0.826 12 HA SER 2 HA SER 2 36.869 4.131 0.369 13 1HB SER 2 HB2 SER 2 35.136 3.081 1.756 14 2HB SER 2 HB1 SER 2 33.965 3.275 0.452 15 HG SER 2 HG SER 2 35.220 1.870 -0.808 16 H SER 3 HN SER 3 36.785 2.670 -1.584 17 HA SER 3 HA SER 3 36.447 4.279 -3.914 18 1HB SER 3 HB2 SER 3 37.098 1.334 -3.649 19 2HB SER 3 HB1 SER 3 37.222 2.272 -5.137 20 HG SER 3 HG SER 3 39.224 2.054 -3.974 21 H GLY 4 HN GLY 4 34.671 1.619 -2.452 22 1HA GLY 4 HA2 GLY 4 32.544 2.053 -4.458 23 2HA GLY 4 HA1 GLY 4 32.971 0.447 -3.888 24 H HIS 5 HN HIS 5 30.461 2.132 -3.758 25 HA HIS 5 HA HIS 5 29.992 1.751 -0.879 26 1HB HIS 5 HB2 HIS 5 28.985 4.040 -2.582 27 2HB HIS 5 HB1 HIS 5 28.474 3.720 -0.928 28 HD1 HIS 5 HD1 HIS 5 30.806 3.498 0.726 29 HD2 HIS 5 HD2 HIS 5 30.868 5.960 -2.620 30 HE1 HIS 5 HE1 HIS 5 32.675 5.131 1.128 31 HE2 HIS 5 HE2 HIS 5 32.646 6.657 -0.876 32 H ILE 6 HN ILE 6 28.551 1.975 -4.108 33 HA ILE 6 HA ILE 6 26.176 0.578 -3.166 34 HB ILE 6 HB ILE 6 25.600 2.434 -4.488 35 1HG1 ILE 6 HG12 ILE 6 25.586 0.040 -6.316 36 2HG1 ILE 6 HG11 ILE 6 24.384 0.372 -5.075 37 1HG2 ILE 6 HG21 ILE 6 28.100 2.117 -5.633 38 2HG2 ILE 6 HG22 ILE 6 26.904 3.346 -6.045 39 3HG2 ILE 6 HG23 ILE 6 26.979 1.844 -6.967 40 1HD1 ILE 6 HD11 ILE 6 24.692 2.601 -6.889 41 2HD1 ILE 6 HD12 ILE 6 23.243 1.707 -6.431 42 3HD1 ILE 6 HD13 ILE 6 24.270 1.114 -7.737 43 H ASP 7 HN ASP 7 26.643 -1.549 -2.986 44 HA ASP 7 HA ASP 7 27.196 -2.996 -5.443 45 1HB ASP 7 HB2 ASP 7 28.942 -3.295 -2.989 46 2HB ASP 7 HB1 ASP 7 28.992 -4.349 -4.398 47 H ASP 8 HN ASP 8 27.799 -4.601 -2.450 48 HA ASP 8 HA ASP 8 25.034 -5.504 -2.200 49 1HB ASP 8 HB2 ASP 8 27.360 -7.403 -2.593 50 2HB ASP 8 HB1 ASP 8 25.720 -7.880 -2.169 51 H ASP 9 HN ASP 9 26.036 -3.848 -0.417 52 HA ASP 9 HA ASP 9 26.644 -5.572 1.885 53 1HB ASP 9 HB2 ASP 9 28.712 -4.442 1.237 54 2HB ASP 9 HB1 ASP 9 27.898 -2.882 1.301 55 H ASP 10 HN ASP 10 26.379 -2.062 1.880 56 HA ASP 10 HA ASP 10 24.091 -2.295 3.686 57 1HB ASP 10 HB2 ASP 10 26.084 -0.963 4.381 58 2HB ASP 10 HB1 ASP 10 25.768 0.140 3.047 59 H LYS 11 HN LYS 11 24.955 -1.209 0.524 60 HA LYS 11 HA LYS 11 22.510 0.311 0.165 61 1HB LYS 11 HB2 LYS 11 24.698 -0.394 -1.799 62 2HB LYS 11 HB1 LYS 11 23.346 0.677 -2.134 63 1HG LYS 11 HG2 LYS 11 25.477 1.136 -0.056 64 2HG LYS 11 HG1 LYS 11 25.386 1.917 -1.634 65 1HD LYS 11 HD2 LYS 11 23.229 2.116 0.464 66 2HD LYS 11 HD1 LYS 11 24.532 3.291 0.286 67 1HE LYS 11 HE2 LYS 11 22.602 4.138 -0.847 68 2HE LYS 11 HE1 LYS 11 23.788 3.664 -2.061 69 1HZ LYS 11 HZ1 LYS 11 22.539 1.856 -2.701 70 2HZ LYS 11 HZ2 LYS 11 21.334 2.992 -2.362 71 3HZ LYS 11 HZ3 LYS 11 21.684 1.773 -1.243 72 H HIS 12 HN HIS 12 23.423 -2.896 0.029 73 HA HIS 12 HA HIS 12 21.819 -3.754 -2.182 74 1HB HIS 12 HB2 HIS 12 23.769 -5.041 -1.228 75 2HB HIS 12 HB1 HIS 12 22.759 -5.408 0.167 76 HD1 HIS 12 HD1 HIS 12 22.334 -5.742 -3.611 77 HD2 HIS 12 HD2 HIS 12 21.670 -7.853 -0.094 78 HE1 HIS 12 HE1 HIS 12 21.358 -7.947 -4.324 79 HE2 HIS 12 HE2 HIS 12 20.921 -9.189 -2.177 80 H MET 13 HN MET 13 21.207 -2.767 0.992 81 HA MET 13 HA MET 13 18.835 -4.307 1.463 82 1HB MET 13 HB2 MET 13 20.236 -3.371 3.288 83 2HB MET 13 HB1 MET 13 19.774 -1.752 2.786 84 1HG MET 13 HG2 MET 13 17.443 -2.256 3.304 85 2HG MET 13 HG1 MET 13 17.907 -3.881 3.806 86 1HE MET 13 HE1 MET 13 16.853 -1.768 6.987 87 2HE MET 13 HE2 MET 13 16.894 -3.479 6.562 88 3HE MET 13 HE3 MET 13 16.186 -2.310 5.447 89 H ALA 14 HN ALA 14 19.515 -1.921 -0.683 90 HA ALA 14 HA ALA 14 16.977 -0.511 -0.487 91 1HB ALA 14 HB1 ALA 14 18.282 1.128 -1.238 92 2HB ALA 14 HB2 ALA 14 18.231 0.330 -2.809 93 3HB ALA 14 HB3 ALA 14 19.558 0.001 -1.696 94 H GLU 15 HN GLU 15 18.467 -3.052 -2.348 95 HA GLU 15 HA GLU 15 16.460 -2.962 -4.425 96 1HB GLU 15 HB2 GLU 15 17.613 -4.887 -5.376 97 2HB GLU 15 HB1 GLU 15 18.752 -3.613 -4.976 98 1HG GLU 15 HG2 GLU 15 19.793 -5.596 -4.324 99 2HG GLU 15 HG1 GLU 15 19.203 -4.871 -2.831 100 H ARG 16 HN ARG 16 16.989 -4.593 -1.436 101 HA ARG 16 HA ARG 16 15.235 -6.787 -1.848 102 1HB ARG 16 HB2 ARG 16 15.298 -7.061 0.583 103 2HB ARG 16 HB1 ARG 16 16.911 -6.777 -0.057 104 1HG ARG 16 HG2 ARG 16 16.856 -4.488 0.685 105 2HG ARG 16 HG1 ARG 16 15.181 -4.666 1.211 106 1HD ARG 16 HD2 ARG 16 16.703 -4.801 3.105 107 2HD ARG 16 HD1 ARG 16 15.874 -6.336 2.856 108 HE ARG 16 HE ARG 16 18.325 -6.396 1.492 109 1HH1 ARG 16 HH11 ARG 16 17.068 -6.357 4.743 110 2HH1 ARG 16 HH12 ARG 16 18.422 -7.204 5.414 111 1HH2 ARG 16 HH21 ARG 16 20.111 -7.508 2.367 112 2HH2 ARG 16 HH22 ARG 16 20.153 -7.858 4.063 113 H LEU 17 HN LEU 17 13.620 -6.478 0.573 114 HA LEU 17 HA LEU 17 11.296 -5.390 -0.563 115 1HB LEU 17 HB2 LEU 17 11.932 -5.904 2.345 116 2HB LEU 17 HB1 LEU 17 10.337 -5.523 1.729 117 HG LEU 17 HG LEU 17 10.427 -7.872 2.101 118 1HD1 LEU 17 HD11 LEU 17 9.396 -6.993 -0.046 119 2HD1 LEU 17 HD12 LEU 17 9.780 -8.714 0.012 120 3HD1 LEU 17 HD13 LEU 17 10.838 -7.603 -0.859 121 1HD2 LEU 17 HD21 LEU 17 13.131 -7.599 1.431 122 2HD2 LEU 17 HD22 LEU 17 12.437 -8.698 0.239 123 3HD2 LEU 17 HD23 LEU 17 12.290 -9.056 1.960 124 H SER 18 HN SER 18 10.849 -3.336 -0.958 125 HA SER 18 HA SER 18 12.001 -1.293 0.818 126 1HB SER 18 HB2 SER 18 11.714 0.278 -1.077 127 2HB SER 18 HB1 SER 18 12.763 -1.078 -1.491 128 HG SER 18 HG SER 18 10.926 -0.386 -2.977 129 H GLU 19 HN GLU 19 10.322 -1.504 2.341 130 HA GLU 19 HA GLU 19 7.584 -1.011 1.554 131 1HB GLU 19 HB2 GLU 19 8.854 -1.190 4.290 132 2HB GLU 19 HB1 GLU 19 7.124 -1.122 3.979 133 1HG GLU 19 HG2 GLU 19 7.264 -3.242 2.767 134 2HG GLU 19 HG1 GLU 19 8.995 -3.309 3.097 135 H GLU 20 HN GLU 20 10.262 0.898 2.135 136 HA GLU 20 HA GLU 20 8.965 3.121 3.391 137 1HB GLU 20 HB2 GLU 20 11.093 4.298 2.923 138 2HB GLU 20 HB1 GLU 20 11.325 2.775 3.769 139 1HG GLU 20 HG2 GLU 20 11.950 1.704 1.667 140 2HG GLU 20 HG1 GLU 20 11.709 3.230 0.817 141 H GLU 21 HN GLU 21 9.113 1.954 0.225 142 HA GLU 21 HA GLU 21 9.242 4.160 -1.404 143 1HB GLU 21 HB2 GLU 21 7.402 1.780 -1.697 144 2HB GLU 21 HB1 GLU 21 7.793 2.918 -2.979 145 1HG GLU 21 HG2 GLU 21 9.781 1.164 -1.554 146 2HG GLU 21 HG1 GLU 21 9.069 0.826 -3.130 147 H ILE 22 HN ILE 22 6.905 3.523 0.971 148 HA ILE 22 HA ILE 22 4.592 4.717 -0.026 149 HB ILE 22 HB ILE 22 3.951 5.104 2.297 150 1HG1 ILE 22 HG12 ILE 22 6.797 4.316 2.970 151 2HG1 ILE 22 HG11 ILE 22 6.143 5.947 3.082 152 1HG2 ILE 22 HG21 ILE 22 3.561 2.897 1.668 153 2HG2 ILE 22 HG22 ILE 22 4.475 2.735 3.168 154 3HG2 ILE 22 HG23 ILE 22 5.280 2.506 1.616 155 1HD1 ILE 22 HD11 ILE 22 4.377 4.593 4.611 156 2HD1 ILE 22 HD12 ILE 22 5.823 5.394 5.225 157 3HD1 ILE 22 HD13 ILE 22 5.848 3.663 4.892 158 H GLY 23 HN GLY 23 7.606 6.109 0.605 159 1HA GLY 23 HA2 GLY 23 6.959 8.660 1.553 160 2HA GLY 23 HA1 GLY 23 8.380 8.270 0.600 161 H GLY 24 HN GLY 24 6.459 7.312 -1.592 162 1HA GLY 24 HA2 GLY 24 6.187 9.956 -2.813 163 2HA GLY 24 HA1 GLY 24 6.125 8.416 -3.654 164 H LEU 25 HN LEU 25 4.234 7.914 -1.083 165 HA LEU 25 HA LEU 25 1.840 7.861 -2.514 166 1HB LEU 25 HB2 LEU 25 2.264 7.958 0.470 167 2HB LEU 25 HB1 LEU 25 0.757 7.532 -0.318 168 HG LEU 25 HG LEU 25 3.343 5.988 -0.361 169 1HD1 LEU 25 HD11 LEU 25 1.926 4.223 0.623 170 2HD1 LEU 25 HD12 LEU 25 0.584 5.366 0.679 171 3HD1 LEU 25 HD13 LEU 25 2.035 5.661 1.637 172 1HD2 LEU 25 HD21 LEU 25 1.119 4.663 -1.622 173 2HD2 LEU 25 HD22 LEU 25 2.749 4.947 -2.231 174 3HD2 LEU 25 HD23 LEU 25 1.500 6.173 -2.448 175 H LYS 26 HN LYS 26 3.379 10.474 -0.895 176 HA LYS 26 HA LYS 26 1.205 12.073 -0.207 177 1HB LYS 26 HB2 LYS 26 3.913 12.959 -1.222 178 2HB LYS 26 HB1 LYS 26 2.767 13.963 -0.343 179 1HG LYS 26 HG2 LYS 26 4.106 11.490 0.736 180 2HG LYS 26 HG1 LYS 26 4.577 13.153 1.089 181 1HD LYS 26 HD2 LYS 26 1.870 11.969 1.703 182 2HD LYS 26 HD1 LYS 26 3.187 12.114 2.868 183 1HE LYS 26 HE2 LYS 26 1.852 14.395 1.412 184 2HE LYS 26 HE1 LYS 26 1.576 13.943 3.094 185 1HZ LYS 26 HZ1 LYS 26 3.693 15.490 1.954 186 2HZ LYS 26 HZ2 LYS 26 4.282 14.227 2.912 187 3HZ LYS 26 HZ3 LYS 26 3.207 15.356 3.569 188 H GLU 27 HN GLU 27 2.369 11.196 -3.311 189 HA GLU 27 HA GLU 27 1.166 13.484 -4.632 190 1HB GLU 27 HB2 GLU 27 3.305 12.565 -5.436 191 2HB GLU 27 HB1 GLU 27 2.501 11.048 -5.816 192 1HG GLU 27 HG2 GLU 27 1.080 12.218 -7.433 193 2HG GLU 27 HG1 GLU 27 1.917 13.725 -7.065 194 H LEU 28 HN LEU 28 0.848 9.971 -5.245 195 HA LEU 28 HA LEU 28 -1.816 10.424 -6.308 196 1HB LEU 28 HB2 LEU 28 -0.196 7.887 -6.140 197 2HB LEU 28 HB1 LEU 28 -1.726 8.060 -6.975 198 HG LEU 28 HG LEU 28 -0.559 9.831 -8.409 199 1HD1 LEU 28 HD11 LEU 28 1.399 10.333 -7.247 200 2HD1 LEU 28 HD12 LEU 28 1.944 9.318 -8.582 201 3HD1 LEU 28 HD13 LEU 28 1.779 8.635 -6.964 202 1HD2 LEU 28 HD21 LEU 28 0.062 8.228 -9.976 203 2HD2 LEU 28 HD22 LEU 28 -1.114 7.383 -8.969 204 3HD2 LEU 28 HD23 LEU 28 0.610 7.093 -8.742 205 H PHE 29 HN PHE 29 -0.544 7.901 -4.155 206 HA PHE 29 HA PHE 29 -2.702 6.737 -3.166 207 1HB PHE 29 HB2 PHE 29 -0.225 6.551 -2.456 208 2HB PHE 29 HB1 PHE 29 -0.662 7.689 -1.188 209 HD1 PHE 29 HD1 PHE 29 -2.333 7.042 0.521 210 HD2 PHE 29 HD2 PHE 29 -0.839 4.276 -2.344 211 HE1 PHE 29 HE1 PHE 29 -3.113 5.177 1.919 212 HE2 PHE 29 HE2 PHE 29 -1.616 2.403 -0.950 213 HZ PHE 29 HZ PHE 29 -2.760 2.853 1.183 214 H LYS 30 HN LYS 30 -1.630 9.928 -1.980 215 HA LYS 30 HA LYS 30 -3.566 10.134 0.058 216 1HB LYS 30 HB2 LYS 30 -2.725 12.221 0.444 217 2HB LYS 30 HB1 LYS 30 -1.420 11.575 -0.535 218 1HG LYS 30 HG2 LYS 30 -2.190 12.728 -2.471 219 2HG LYS 30 HG1 LYS 30 -3.668 13.228 -1.646 220 1HD LYS 30 HD2 LYS 30 -2.306 14.531 -0.056 221 2HD LYS 30 HD1 LYS 30 -0.855 14.068 -0.946 222 1HE LYS 30 HE2 LYS 30 -3.180 15.647 -2.044 223 2HE LYS 30 HE1 LYS 30 -1.613 16.305 -1.575 224 1HZ LYS 30 HZ1 LYS 30 -1.029 15.958 -3.678 225 2HZ LYS 30 HZ2 LYS 30 -2.382 14.996 -4.000 226 3HZ LYS 30 HZ3 LYS 30 -0.996 14.305 -3.320 227 H MET 31 HN MET 31 -3.569 11.178 -3.301 228 HA MET 31 HA MET 31 -6.018 12.562 -3.253 229 1HB MET 31 HB2 MET 31 -4.410 12.865 -5.054 230 2HB MET 31 HB1 MET 31 -4.614 11.191 -5.551 231 1HG MET 31 HG2 MET 31 -6.924 11.634 -6.158 232 2HG MET 31 HG1 MET 31 -6.758 13.302 -5.616 233 1HE MET 31 HE1 MET 31 -4.362 14.310 -6.238 234 2HE MET 31 HE2 MET 31 -5.151 15.253 -7.502 235 3HE MET 31 HE3 MET 31 -3.712 14.303 -7.877 236 H ILE 32 HN ILE 32 -5.278 9.166 -3.463 237 HA ILE 32 HA ILE 32 -8.007 8.534 -4.275 238 HB ILE 32 HB ILE 32 -6.039 7.284 -5.230 239 1HG1 ILE 32 HG12 ILE 32 -7.160 5.083 -5.099 240 2HG1 ILE 32 HG11 ILE 32 -8.140 5.677 -3.760 241 1HG2 ILE 32 HG21 ILE 32 -5.204 5.390 -3.785 242 2HG2 ILE 32 HG22 ILE 32 -5.906 6.245 -2.412 243 3HG2 ILE 32 HG23 ILE 32 -4.624 7.000 -3.359 244 1HD1 ILE 32 HD11 ILE 32 -8.463 6.050 -6.619 245 2HD1 ILE 32 HD12 ILE 32 -8.550 7.561 -5.712 246 3HD1 ILE 32 HD13 ILE 32 -9.632 6.226 -5.310 247 H ASP 33 HN ASP 33 -6.075 8.780 -1.464 248 HA ASP 33 HA ASP 33 -7.784 7.094 0.160 249 1HB ASP 33 HB2 ASP 33 -5.385 7.159 0.641 250 2HB ASP 33 HB1 ASP 33 -5.471 8.896 0.917 251 H THR 34 HN THR 34 -9.551 7.767 1.169 252 HA THR 34 HA THR 34 -10.608 10.339 0.866 253 HB THR 34 HB THR 34 -11.307 8.253 2.944 254 HG1 THR 34 HG1 THR 34 -12.394 7.289 1.425 255 1HG2 THR 34 HG21 THR 34 -13.636 9.469 2.313 256 2HG2 THR 34 HG22 THR 34 -12.519 10.833 2.272 257 3HG2 THR 34 HG23 THR 34 -12.658 9.850 3.730 258 H ASP 35 HN ASP 35 -8.192 9.236 2.968 259 HA ASP 35 HA ASP 35 -8.658 11.425 4.855 260 1HB ASP 35 HB2 ASP 35 -8.347 9.071 5.710 261 2HB ASP 35 HB1 ASP 35 -6.677 9.182 5.161 262 H ASN 36 HN ASN 36 -6.727 10.532 2.226 263 HA ASN 36 HA ASN 36 -4.861 11.412 1.261 264 1HB ASN 36 HB2 ASN 36 -5.842 13.917 2.648 265 2HB ASN 36 HB1 ASN 36 -4.711 13.863 1.299 266 1HD2 ASN 36 HD21 ASN 36 -5.588 14.322 -0.569 267 2HD2 ASN 36 HD22 ASN 36 -7.217 13.997 -1.045 268 H SER 37 HN SER 37 -4.723 10.466 4.179 269 HA SER 37 HA SER 37 -2.542 12.059 5.243 270 1HB SER 37 HB2 SER 37 -2.547 10.426 7.092 271 2HB SER 37 HB1 SER 37 -4.167 11.053 6.792 272 HG SER 37 HG SER 37 -4.403 8.879 6.946 273 H GLY 38 HN GLY 38 -3.020 9.435 3.175 274 1HA GLY 38 HA2 GLY 38 -1.164 8.704 1.789 275 2HA GLY 38 HA1 GLY 38 -0.109 8.894 3.183 276 H THR 39 HN THR 39 -2.962 7.580 4.200 277 HA THR 39 HA THR 39 -2.117 4.810 3.732 278 HB THR 39 HB THR 39 -2.603 4.259 6.086 279 HG1 THR 39 HG1 THR 39 -2.602 6.973 6.754 280 1HG2 THR 39 HG21 THR 39 -0.767 6.353 6.751 281 2HG2 THR 39 HG22 THR 39 -0.337 5.628 5.202 282 3HG2 THR 39 HG23 THR 39 -0.495 4.614 6.636 283 H ILE 40 HN ILE 40 -3.782 3.493 3.194 284 HA ILE 40 HA ILE 40 -6.469 4.684 3.364 285 HB ILE 40 HB ILE 40 -5.289 2.635 1.499 286 1HG1 ILE 40 HG12 ILE 40 -6.902 5.137 0.972 287 2HG1 ILE 40 HG11 ILE 40 -5.140 5.085 0.988 288 1HG2 ILE 40 HG21 ILE 40 -7.514 1.851 2.389 289 2HG2 ILE 40 HG22 ILE 40 -7.422 2.058 0.640 290 3HG2 ILE 40 HG23 ILE 40 -8.227 3.275 1.630 291 1HD1 ILE 40 HD11 ILE 40 -6.773 4.718 -1.196 292 2HD1 ILE 40 HD12 ILE 40 -6.285 3.079 -0.763 293 3HD1 ILE 40 HD13 ILE 40 -5.061 4.306 -1.090 294 H THR 41 HN THR 41 -8.130 3.651 4.392 295 HA THR 41 HA THR 41 -7.473 1.099 5.722 296 HB THR 41 HB THR 41 -8.861 1.804 7.601 297 HG1 THR 41 HG1 THR 41 -10.325 3.128 6.510 298 1HG2 THR 41 HG21 THR 41 -6.417 3.020 6.950 299 2HG2 THR 41 HG22 THR 41 -7.148 2.822 8.543 300 3HG2 THR 41 HG23 THR 41 -7.458 4.283 7.605 301 H PHE 42 HN PHE 42 -9.197 -0.397 5.979 302 HA PHE 42 HA PHE 42 -10.808 -0.918 3.873 303 1HB PHE 42 HB2 PHE 42 -10.442 -2.547 5.614 304 2HB PHE 42 HB1 PHE 42 -11.272 -1.540 6.795 305 HD1 PHE 42 HD1 PHE 42 -12.180 -2.571 3.336 306 HD2 PHE 42 HD2 PHE 42 -13.163 -2.637 7.472 307 HE1 PHE 42 HE1 PHE 42 -14.295 -3.692 2.810 308 HE2 PHE 42 HE2 PHE 42 -15.281 -3.761 6.954 309 HZ PHE 42 HZ PHE 42 -15.858 -4.294 4.618 310 H ASP 43 HN ASP 43 -11.639 0.993 6.736 311 HA ASP 43 HA ASP 43 -14.327 1.455 6.228 312 1HB ASP 43 HB2 ASP 43 -13.159 2.120 8.313 313 2HB ASP 43 HB1 ASP 43 -12.332 3.395 7.426 314 H GLU 44 HN GLU 44 -11.466 3.131 5.043 315 HA GLU 44 HA GLU 44 -13.049 4.940 3.408 316 1HB GLU 44 HB2 GLU 44 -10.045 4.654 3.554 317 2HB GLU 44 HB1 GLU 44 -10.945 5.996 2.863 318 1HG GLU 44 HG2 GLU 44 -11.799 6.569 5.071 319 2HG GLU 44 HG1 GLU 44 -10.912 5.215 5.768 320 H LEU 45 HN LEU 45 -11.557 1.892 3.117 321 HA LEU 45 HA LEU 45 -10.703 1.884 0.474 322 1HB LEU 45 HB2 LEU 45 -10.321 0.064 2.150 323 2HB LEU 45 HB1 LEU 45 -11.983 -0.442 1.899 324 HG LEU 45 HG LEU 45 -11.388 -0.714 -0.559 325 1HD1 LEU 45 HD11 LEU 45 -8.834 0.184 0.513 326 2HD1 LEU 45 HD12 LEU 45 -9.416 0.143 -1.151 327 3HD1 LEU 45 HD13 LEU 45 -8.714 -1.303 -0.426 328 1HD2 LEU 45 HD21 LEU 45 -9.794 -2.548 1.188 329 2HD2 LEU 45 HD22 LEU 45 -10.747 -2.924 -0.247 330 3HD2 LEU 45 HD23 LEU 45 -11.555 -2.518 1.267 331 H LYS 46 HN LYS 46 -13.750 0.530 1.693 332 HA LYS 46 HA LYS 46 -15.036 0.057 -0.667 333 1HB LYS 46 HB2 LYS 46 -17.138 0.236 0.604 334 2HB LYS 46 HB1 LYS 46 -15.913 -0.678 1.472 335 1HG LYS 46 HG2 LYS 46 -15.408 1.320 2.817 336 2HG LYS 46 HG1 LYS 46 -16.695 2.186 1.976 337 1HD LYS 46 HD2 LYS 46 -18.318 0.527 2.795 338 2HD LYS 46 HD1 LYS 46 -17.021 -0.291 3.668 339 1HE LYS 46 HE2 LYS 46 -16.629 1.740 4.978 340 2HE LYS 46 HE1 LYS 46 -17.934 2.549 4.111 341 1HZ LYS 46 HZ1 LYS 46 -18.147 1.050 6.413 342 2HZ LYS 46 HZ2 LYS 46 -18.827 0.088 5.199 343 3HZ LYS 46 HZ3 LYS 46 -19.416 1.650 5.469 344 H ASP 47 HN ASP 47 -14.658 3.140 0.984 345 HA ASP 47 HA ASP 47 -16.601 4.690 -0.163 346 1HB ASP 47 HB2 ASP 47 -13.745 5.398 0.493 347 2HB ASP 47 HB1 ASP 47 -14.938 6.593 -0.007 348 H GLY 48 HN GLY 48 -14.069 3.122 -1.809 349 1HA GLY 48 HA2 GLY 48 -13.712 4.884 -3.995 350 2HA GLY 48 HA1 GLY 48 -13.375 3.157 -4.002 351 H LEU 49 HN LEU 49 -15.538 1.834 -3.867 352 HA LEU 49 HA LEU 49 -17.105 2.681 -6.170 353 1HB LEU 49 HB2 LEU 49 -17.000 0.085 -4.634 354 2HB LEU 49 HB1 LEU 49 -18.098 0.376 -5.967 355 HG LEU 49 HG LEU 49 -16.108 0.750 -7.442 356 1HD1 LEU 49 HD11 LEU 49 -14.687 0.042 -4.909 357 2HD1 LEU 49 HD12 LEU 49 -14.334 1.319 -6.073 358 3HD1 LEU 49 HD13 LEU 49 -13.981 -0.362 -6.474 359 1HD2 LEU 49 HD21 LEU 49 -15.582 -1.608 -7.678 360 2HD2 LEU 49 HD22 LEU 49 -17.305 -1.389 -7.367 361 3HD2 LEU 49 HD23 LEU 49 -16.237 -1.933 -6.073 362 H LYS 50 HN LYS 50 -17.268 2.761 -2.794 363 HA LYS 50 HA LYS 50 -20.094 2.496 -2.494 364 1HB LYS 50 HB2 LYS 50 -18.293 2.155 -0.705 365 2HB LYS 50 HB1 LYS 50 -18.250 3.905 -0.575 366 1HG LYS 50 HG2 LYS 50 -20.792 2.348 -0.237 367 2HG LYS 50 HG1 LYS 50 -19.677 2.626 1.098 368 1HD LYS 50 HD2 LYS 50 -20.905 4.824 -0.562 369 2HD LYS 50 HD1 LYS 50 -21.577 4.248 0.961 370 1HE LYS 50 HE2 LYS 50 -20.297 6.196 1.441 371 2HE LYS 50 HE1 LYS 50 -19.389 4.810 2.039 372 1HZ LYS 50 HZ1 LYS 50 -17.850 4.985 0.332 373 2HZ LYS 50 HZ2 LYS 50 -18.145 6.600 0.736 374 3HZ LYS 50 HZ3 LYS 50 -18.861 5.929 -0.642 375 H ARG 51 HN ARG 51 -17.881 5.126 -3.092 376 HA ARG 51 HA ARG 51 -19.315 7.356 -2.423 377 1HB ARG 51 HB2 ARG 51 -17.034 7.401 -3.341 378 2HB ARG 51 HB1 ARG 51 -17.663 6.977 -4.927 379 1HG ARG 51 HG2 ARG 51 -18.919 9.075 -4.990 380 2HG ARG 51 HG1 ARG 51 -18.277 9.500 -3.401 381 1HD ARG 51 HD2 ARG 51 -17.027 10.615 -5.169 382 2HD ARG 51 HD1 ARG 51 -16.007 9.465 -4.307 383 HE ARG 51 HE ARG 51 -15.668 8.431 -6.300 384 1HH1 ARG 51 HH11 ARG 51 -18.755 10.046 -6.446 385 2HH1 ARG 51 HH12 ARG 51 -19.068 9.573 -8.082 386 1HH2 ARG 51 HH21 ARG 51 -16.077 7.803 -8.452 387 2HH2 ARG 51 HH22 ARG 51 -17.548 8.298 -9.220 388 H VAL 52 HN VAL 52 -19.782 5.286 -5.241 389 HA VAL 52 HA VAL 52 -21.859 7.037 -6.284 390 HB VAL 52 HB VAL 52 -22.029 5.436 -8.138 391 1HG1 VAL 52 HG11 VAL 52 -19.691 6.955 -7.416 392 2HG1 VAL 52 HG12 VAL 52 -20.455 6.750 -8.993 393 3HG1 VAL 52 HG13 VAL 52 -19.257 5.582 -8.435 394 1HG2 VAL 52 HG21 VAL 52 -20.780 3.677 -6.291 395 2HG2 VAL 52 HG22 VAL 52 -19.720 3.845 -7.689 396 3HG2 VAL 52 HG23 VAL 52 -21.391 3.322 -7.906 397 H GLY 53 HN GLY 53 -21.558 4.065 -4.482 398 1HA GLY 53 HA2 GLY 53 -23.125 2.749 -3.444 399 2HA GLY 53 HA1 GLY 53 -24.204 4.130 -3.558 400 H SER 54 HN SER 54 -22.741 2.028 -6.042 401 HA SER 54 HA SER 54 -25.321 1.831 -7.357 402 1HB SER 54 HB2 SER 54 -23.344 2.206 -8.740 403 2HB SER 54 HB1 SER 54 -22.610 0.723 -8.131 404 HG SER 54 HG SER 54 -23.551 0.231 -10.072 405 H GLU 55 HN GLU 55 -23.132 -0.872 -7.452 406 HA GLU 55 HA GLU 55 -24.760 -2.442 -5.622 407 1HB GLU 55 HB2 GLU 55 -25.885 -2.653 -7.819 408 2HB GLU 55 HB1 GLU 55 -24.384 -3.250 -8.514 409 1HG GLU 55 HG2 GLU 55 -24.459 -5.178 -7.014 410 2HG GLU 55 HG1 GLU 55 -25.969 -4.581 -6.327 411 H LEU 56 HN LEU 56 -22.560 -2.066 -4.636 412 HA LEU 56 HA LEU 56 -20.447 -3.740 -5.737 413 1HB LEU 56 HB2 LEU 56 -20.043 -2.510 -3.089 414 2HB LEU 56 HB1 LEU 56 -18.967 -2.590 -4.468 415 HG LEU 56 HG LEU 56 -19.394 -0.304 -4.125 416 1HD1 LEU 56 HD11 LEU 56 -19.975 0.330 -6.211 417 2HD1 LEU 56 HD12 LEU 56 -21.427 -0.671 -6.233 418 3HD1 LEU 56 HD13 LEU 56 -19.847 -1.406 -6.500 419 1HD2 LEU 56 HD21 LEU 56 -21.155 0.259 -2.898 420 2HD2 LEU 56 HD22 LEU 56 -22.018 -1.219 -3.321 421 3HD2 LEU 56 HD23 LEU 56 -22.098 0.184 -4.386 422 H MET 57 HN MET 57 -19.151 -4.848 -3.836 423 HA MET 57 HA MET 57 -21.088 -6.505 -2.365 424 1HB MET 57 HB2 MET 57 -18.339 -7.247 -3.387 425 2HB MET 57 HB1 MET 57 -19.373 -8.290 -2.425 426 1HG MET 57 HG2 MET 57 -19.514 -8.952 -4.704 427 2HG MET 57 HG1 MET 57 -21.051 -8.227 -4.236 428 1HE MET 57 HE1 MET 57 -17.872 -6.215 -6.900 429 2HE MET 57 HE2 MET 57 -17.671 -7.736 -6.030 430 3HE MET 57 HE3 MET 57 -17.703 -6.211 -5.145 431 H GLU 58 HN GLU 58 -21.125 -5.486 -0.399 432 HA GLU 58 HA GLU 58 -18.906 -4.302 0.859 433 1HB GLU 58 HB2 GLU 58 -21.237 -3.840 1.523 434 2HB GLU 58 HB1 GLU 58 -21.392 -5.486 2.121 435 1HG GLU 58 HG2 GLU 58 -19.668 -5.039 3.795 436 2HG GLU 58 HG1 GLU 58 -19.522 -3.386 3.198 437 H SER 59 HN SER 59 -19.795 -7.512 0.341 438 HA SER 59 HA SER 59 -18.270 -8.618 2.550 439 1HB SER 59 HB2 SER 59 -18.967 -10.805 1.623 440 2HB SER 59 HB1 SER 59 -20.342 -9.736 1.901 441 HG SER 59 HG SER 59 -20.115 -10.929 -0.220 442 H GLU 60 HN GLU 60 -17.729 -7.657 -0.695 443 HA GLU 60 HA GLU 60 -15.456 -9.444 -1.057 444 1HB GLU 60 HB2 GLU 60 -17.025 -8.863 -2.937 445 2HB GLU 60 HB1 GLU 60 -16.415 -7.216 -2.862 446 1HG GLU 60 HG2 GLU 60 -15.305 -8.342 -4.637 447 2HG GLU 60 HG1 GLU 60 -14.143 -8.100 -3.333 448 H ILE 61 HN ILE 61 -16.192 -6.048 -0.560 449 HA ILE 61 HA ILE 61 -13.633 -4.966 -0.848 450 HB ILE 61 HB ILE 61 -15.748 -3.982 1.064 451 1HG1 ILE 61 HG12 ILE 61 -15.428 -3.444 -1.899 452 2HG1 ILE 61 HG11 ILE 61 -16.706 -4.403 -1.165 453 1HG2 ILE 61 HG21 ILE 61 -13.219 -3.069 0.725 454 2HG2 ILE 61 HG22 ILE 61 -14.580 -2.061 1.218 455 3HG2 ILE 61 HG23 ILE 61 -14.084 -2.107 -0.474 456 1HD1 ILE 61 HD11 ILE 61 -17.539 -2.222 -1.722 457 2HD1 ILE 61 HD12 ILE 61 -16.247 -1.454 -0.801 458 3HD1 ILE 61 HD13 ILE 61 -17.483 -2.398 0.031 459 H LYS 62 HN LYS 62 -15.028 -6.792 1.775 460 HA LYS 62 HA LYS 62 -13.147 -5.948 3.755 461 1HB LYS 62 HB2 LYS 62 -14.072 -7.684 5.152 462 2HB LYS 62 HB1 LYS 62 -15.381 -6.859 4.324 463 1HG LYS 62 HG2 LYS 62 -16.034 -9.035 4.105 464 2HG LYS 62 HG1 LYS 62 -15.129 -8.820 2.608 465 1HD LYS 62 HD2 LYS 62 -14.475 -10.910 3.587 466 2HD LYS 62 HD1 LYS 62 -13.134 -9.780 3.757 467 1HE LYS 62 HE2 LYS 62 -13.463 -11.051 5.808 468 2HE LYS 62 HE1 LYS 62 -13.791 -9.338 6.068 469 1HZ LYS 62 HZ1 LYS 62 -15.809 -11.486 5.696 470 2HZ LYS 62 HZ2 LYS 62 -16.172 -9.839 5.825 471 3HZ LYS 62 HZ3 LYS 62 -15.473 -10.654 7.131 472 H ASP 63 HN ASP 63 -13.396 -8.754 1.601 473 HA ASP 63 HA ASP 63 -10.932 -9.893 2.581 474 1HB ASP 63 HB2 ASP 63 -11.253 -11.574 0.818 475 2HB ASP 63 HB1 ASP 63 -12.727 -11.357 1.755 476 H LEU 64 HN LEU 64 -11.943 -7.673 0.179 477 HA LEU 64 HA LEU 64 -9.659 -7.861 -1.522 478 1HB LEU 64 HB2 LEU 64 -11.899 -5.886 -1.189 479 2HB LEU 64 HB1 LEU 64 -10.526 -5.504 -2.219 480 HG LEU 64 HG LEU 64 -12.423 -7.832 -2.563 481 1HD1 LEU 64 HD11 LEU 64 -13.476 -5.762 -3.165 482 2HD1 LEU 64 HD12 LEU 64 -13.042 -6.625 -4.640 483 3HD1 LEU 64 HD13 LEU 64 -12.063 -5.263 -4.095 484 1HD2 LEU 64 HD21 LEU 64 -9.768 -7.619 -3.401 485 2HD2 LEU 64 HD22 LEU 64 -10.738 -7.233 -4.822 486 3HD2 LEU 64 HD23 LEU 64 -10.982 -8.762 -3.977 487 H MET 65 HN MET 65 -10.445 -6.251 1.428 488 HA MET 65 HA MET 65 -8.236 -4.388 1.295 489 1HB MET 65 HB2 MET 65 -10.376 -3.823 2.429 490 2HB MET 65 HB1 MET 65 -10.051 -5.079 3.614 491 1HG MET 65 HG2 MET 65 -9.515 -2.818 4.413 492 2HG MET 65 HG1 MET 65 -8.123 -3.902 4.418 493 1HE MET 65 HE1 MET 65 -7.384 -0.141 3.916 494 2HE MET 65 HE2 MET 65 -6.061 -1.301 4.028 495 3HE MET 65 HE3 MET 65 -7.493 -1.497 5.038 496 H ASP 66 HN ASP 66 -9.054 -7.405 2.937 497 HA ASP 66 HA ASP 66 -6.655 -7.485 4.497 498 1HB ASP 66 HB2 ASP 66 -8.665 -8.639 5.257 499 2HB ASP 66 HB1 ASP 66 -8.650 -9.657 3.820 500 H ALA 67 HN ALA 67 -7.507 -8.389 1.285 501 HA ALA 67 HA ALA 67 -5.600 -10.406 0.816 502 1HB ALA 67 HB1 ALA 67 -5.999 -10.036 -1.520 503 2HB ALA 67 HB2 ALA 67 -6.678 -8.440 -1.198 504 3HB ALA 67 HB3 ALA 67 -7.531 -9.887 -0.660 505 H ALA 68 HN ALA 68 -5.472 -6.941 -0.035 506 HA ALA 68 HA ALA 68 -2.720 -7.053 -0.773 507 1HB ALA 68 HB1 ALA 68 -3.688 -5.325 -1.876 508 2HB ALA 68 HB2 ALA 68 -3.110 -4.429 -0.471 509 3HB ALA 68 HB3 ALA 68 -4.792 -4.953 -0.553 510 H ASP 69 HN ASP 69 -4.428 -5.649 2.021 511 HA ASP 69 HA ASP 69 -1.943 -5.078 3.375 512 1HB ASP 69 HB2 ASP 69 -3.812 -3.552 3.649 513 2HB ASP 69 HB1 ASP 69 -4.819 -4.850 4.286 514 H ILE 70 HN ILE 70 -0.864 -6.867 3.954 515 HA ILE 70 HA ILE 70 -2.204 -9.159 5.105 516 HB ILE 70 HB ILE 70 -0.291 -9.490 3.589 517 1HG1 ILE 70 HG12 ILE 70 0.284 -10.379 6.427 518 2HG1 ILE 70 HG11 ILE 70 -0.823 -11.179 5.318 519 1HG2 ILE 70 HG21 ILE 70 0.862 -7.427 5.091 520 2HG2 ILE 70 HG22 ILE 70 1.591 -8.322 3.757 521 3HG2 ILE 70 HG23 ILE 70 1.833 -8.862 5.419 522 1HD1 ILE 70 HD11 ILE 70 2.155 -11.082 5.275 523 2HD1 ILE 70 HD12 ILE 70 1.257 -11.365 3.783 524 3HD1 ILE 70 HD13 ILE 70 1.073 -12.468 5.147 525 H ASP 71 HN ASP 71 -0.594 -6.310 6.149 526 HA ASP 71 HA ASP 71 0.386 -7.045 8.644 527 1HB ASP 71 HB2 ASP 71 0.744 -4.843 7.522 528 2HB ASP 71 HB1 ASP 71 -0.916 -4.411 7.916 529 H LYS 72 HN LYS 72 -2.871 -6.648 7.546 530 HA LYS 72 HA LYS 72 -4.895 -6.997 8.541 531 1HB LYS 72 HB2 LYS 72 -3.242 -8.146 10.798 532 2HB LYS 72 HB1 LYS 72 -4.973 -8.363 10.576 533 1HG LYS 72 HG2 LYS 72 -4.703 -9.804 8.801 534 2HG LYS 72 HG1 LYS 72 -3.087 -9.201 8.424 535 1HD LYS 72 HD2 LYS 72 -2.229 -10.211 10.468 536 2HD LYS 72 HD1 LYS 72 -3.841 -10.819 10.853 537 1HE LYS 72 HE2 LYS 72 -2.204 -11.553 8.427 538 2HE LYS 72 HE1 LYS 72 -2.447 -12.563 9.852 539 1HZ LYS 72 HZ1 LYS 72 -4.932 -11.698 8.783 540 2HZ LYS 72 HZ2 LYS 72 -4.374 -13.272 9.050 541 3HZ LYS 72 HZ3 LYS 72 -4.019 -12.485 7.595 542 H SER 73 HN SER 73 -2.735 -4.835 9.426 543 HA SER 73 HA SER 73 -3.696 -3.883 11.935 544 1HB SER 73 HB2 SER 73 -2.377 -1.858 11.429 545 2HB SER 73 HB1 SER 73 -1.450 -3.330 11.139 546 HG SER 73 HG SER 73 -1.604 -1.478 9.470 547 H GLY 74 HN GLY 74 -5.275 -4.033 9.093 548 1HA GLY 74 HA2 GLY 74 -7.333 -3.129 8.524 549 2HA GLY 74 HA1 GLY 74 -7.208 -2.056 9.910 550 H THR 75 HN THR 75 -4.374 -1.539 8.589 551 HA THR 75 HA THR 75 -5.362 0.506 6.711 552 HB THR 75 HB THR 75 -3.500 1.932 7.419 553 HG1 THR 75 HG1 THR 75 -1.941 1.192 8.607 554 1HG2 THR 75 HG21 THR 75 -5.188 2.606 8.758 555 2HG2 THR 75 HG22 THR 75 -4.114 1.965 10.000 556 3HG2 THR 75 HG23 THR 75 -5.464 0.993 9.415 557 H ILE 76 HN ILE 76 -4.581 0.392 4.707 558 HA ILE 76 HA ILE 76 -2.423 -1.493 4.162 559 HB ILE 76 HB ILE 76 -4.462 -1.778 2.854 560 1HG1 ILE 76 HG12 ILE 76 -2.130 -0.748 1.216 561 2HG1 ILE 76 HG11 ILE 76 -2.317 -2.385 1.837 562 1HG2 ILE 76 HG21 ILE 76 -4.288 0.441 1.075 563 2HG2 ILE 76 HG22 ILE 76 -4.404 1.044 2.729 564 3HG2 ILE 76 HG23 ILE 76 -5.634 -0.054 2.101 565 1HD1 ILE 76 HD11 ILE 76 -3.209 -2.872 -0.135 566 2HD1 ILE 76 HD12 ILE 76 -3.400 -1.170 -0.558 567 3HD1 ILE 76 HD13 ILE 76 -4.633 -1.983 0.406 568 H ASP 77 HN ASP 77 -0.491 -0.934 3.389 569 HA ASP 77 HA ASP 77 -0.010 1.923 2.838 570 1HB ASP 77 HB2 ASP 77 1.921 -0.090 4.014 571 2HB ASP 77 HB1 ASP 77 2.266 1.607 3.696 572 H TYR 78 HN TYR 78 1.846 2.335 1.384 573 HA TYR 78 HA TYR 78 1.559 0.987 -1.065 574 1HB TYR 78 HB2 TYR 78 2.405 3.351 -0.667 575 2HB TYR 78 HB1 TYR 78 3.949 2.632 -0.238 576 HD1 TYR 78 HD1 TYR 78 5.545 2.590 -1.886 577 HD2 TYR 78 HD2 TYR 78 1.448 2.408 -3.015 578 HE1 TYR 78 HE1 TYR 78 6.205 2.620 -4.252 579 HE2 TYR 78 HE2 TYR 78 2.093 2.434 -5.387 580 HH TYR 78 HH TYR 78 4.648 1.637 -6.609 581 H GLY 79 HN GLY 79 3.756 0.551 1.611 582 1HA GLY 79 HA2 GLY 79 5.743 -0.970 0.334 583 2HA GLY 79 HA1 GLY 79 5.385 -1.002 2.050 584 H GLU 80 HN GLU 80 2.797 -2.054 2.019 585 HA GLU 80 HA GLU 80 3.428 -4.818 1.409 586 1HB GLU 80 HB2 GLU 80 1.314 -5.310 2.619 587 2HB GLU 80 HB1 GLU 80 2.469 -4.384 3.568 588 1HG GLU 80 HG2 GLU 80 1.220 -2.335 3.064 589 2HG GLU 80 HG1 GLU 80 0.049 -3.288 2.153 590 H PHE 81 HN PHE 81 0.992 -2.422 0.487 591 HA PHE 81 HA PHE 81 -0.737 -3.867 -1.034 592 1HB PHE 81 HB2 PHE 81 -1.022 -1.486 -0.700 593 2HB PHE 81 HB1 PHE 81 0.422 -1.142 -1.646 594 HD1 PHE 81 HD1 PHE 81 -0.096 -0.133 -3.623 595 HD2 PHE 81 HD2 PHE 81 -2.605 -3.260 -2.202 596 HE1 PHE 81 HE1 PHE 81 -1.466 0.048 -5.659 597 HE2 PHE 81 HE2 PHE 81 -3.981 -3.088 -4.235 598 HZ PHE 81 HZ PHE 81 -3.411 -1.433 -5.968 599 H ILE 82 HN ILE 82 2.424 -2.635 -2.097 600 HA ILE 82 HA ILE 82 2.168 -3.770 -4.722 601 HB ILE 82 HB ILE 82 3.520 -1.743 -4.299 602 1HG1 ILE 82 HG12 ILE 82 5.486 -2.432 -5.662 603 2HG1 ILE 82 HG11 ILE 82 5.041 -4.116 -5.403 604 1HG2 ILE 82 HG21 ILE 82 4.432 -2.469 -2.115 605 2HG2 ILE 82 HG22 ILE 82 5.670 -1.873 -3.222 606 3HG2 ILE 82 HG23 ILE 82 5.477 -3.607 -2.966 607 1HD1 ILE 82 HD11 ILE 82 3.904 -2.117 -7.221 608 2HD1 ILE 82 HD12 ILE 82 2.728 -3.136 -6.391 609 3HD1 ILE 82 HD13 ILE 82 3.999 -3.871 -7.369 610 H ALA 83 HN ALA 83 3.536 -4.772 -1.670 611 HA ALA 83 HA ALA 83 5.248 -6.805 -2.552 612 1HB ALA 83 HB1 ALA 83 5.268 -5.954 -0.268 613 2HB ALA 83 HB2 ALA 83 5.066 -7.706 -0.288 614 3HB ALA 83 HB3 ALA 83 3.678 -6.661 0.019 615 H ALA 84 HN ALA 84 1.821 -6.641 -2.485 616 HA ALA 84 HA ALA 84 1.199 -9.387 -2.279 617 1HB ALA 84 HB1 ALA 84 -0.785 -8.256 -3.860 618 2HB ALA 84 HB2 ALA 84 -0.204 -6.926 -2.858 619 3HB ALA 84 HB3 ALA 84 -0.791 -8.407 -2.102 620 H THR 85 HN THR 85 1.605 -10.986 -3.652 621 HA THR 85 HA THR 85 2.738 -10.527 -6.219 622 HB THR 85 HB THR 85 2.620 -12.988 -6.465 623 HG1 THR 85 HG1 THR 85 1.585 -14.214 -5.011 624 1HG2 THR 85 HG21 THR 85 3.534 -12.245 -3.699 625 2HG2 THR 85 HG22 THR 85 4.472 -11.982 -5.170 626 3HG2 THR 85 HG23 THR 85 4.060 -13.622 -4.668 627 H VAL 86 HN VAL 86 1.888 -11.260 -8.264 628 HA VAL 86 HA VAL 86 -0.929 -10.607 -8.531 629 HB VAL 86 HB VAL 86 -0.520 -10.652 -10.952 630 1HG1 VAL 86 HG11 VAL 86 1.385 -8.872 -10.910 631 2HG1 VAL 86 HG12 VAL 86 1.235 -9.032 -9.160 632 3HG1 VAL 86 HG13 VAL 86 -0.156 -8.532 -10.122 633 1HG2 VAL 86 HG21 VAL 86 2.247 -10.758 -11.185 634 2HG2 VAL 86 HG22 VAL 86 1.094 -11.978 -11.724 635 3HG2 VAL 86 HG23 VAL 86 1.838 -12.111 -10.131 636 H HIS 87 HN HIS 87 0.813 -13.370 -7.989 637 HA HIS 87 HA HIS 87 0.380 -15.596 -8.132 638 1HB HIS 87 HB2 HIS 87 -1.718 -14.914 -7.029 639 2HB HIS 87 HB1 HIS 87 -2.459 -14.653 -8.603 640 HD1 HIS 87 HD1 HIS 87 -2.204 -17.049 -10.156 641 HD2 HIS 87 HD2 HIS 87 -2.465 -17.288 -6.016 642 HE1 HIS 87 HE1 HIS 87 -2.967 -19.395 -9.664 643 HE2 HIS 87 HE2 HIS 87 -3.050 -19.537 -7.150 Start of MODEL 6 1 1H HIS 1 HT1 HIS 1 -29.741 -9.926 -7.732 2 2H HIS 1 HT2 HIS 1 -30.294 -11.056 -8.863 3 3H HIS 1 HT3 HIS 1 -28.760 -10.364 -9.040 4 HA HIS 1 HA HIS 1 -29.562 -12.076 -6.759 5 1HB HIS 1 HB2 HIS 1 -29.562 -13.235 -8.983 6 2HB HIS 1 HB1 HIS 1 -27.872 -12.784 -9.170 7 HD1 HIS 1 HD1 HIS 1 -27.948 -15.589 -9.344 8 HD2 HIS 1 HD2 HIS 1 -28.238 -13.820 -5.595 9 HE1 HIS 1 HE1 HIS 1 -27.338 -17.392 -7.700 10 HE2 HIS 1 HE2 HIS 1 -27.541 -16.305 -5.436 11 H SER 2 HN SER 2 -27.040 -10.395 -8.579 12 HA SER 2 HA SER 2 -25.005 -10.930 -6.616 13 1HB SER 2 HB2 SER 2 -23.616 -9.407 -8.000 14 2HB SER 2 HB1 SER 2 -24.374 -10.679 -8.958 15 HG SER 2 HG SER 2 -24.561 -8.056 -9.282 16 H SER 3 HN SER 3 -26.528 -10.046 -4.895 17 HA SER 3 HA SER 3 -25.854 -7.224 -4.454 18 1HB SER 3 HB2 SER 3 -28.571 -8.470 -3.967 19 2HB SER 3 HB1 SER 3 -28.102 -6.839 -3.487 20 HG SER 3 HG SER 3 -29.139 -7.529 -5.757 21 H GLY 4 HN GLY 4 -24.821 -9.853 -3.482 22 1HA GLY 4 HA2 GLY 4 -25.475 -9.645 -0.620 23 2HA GLY 4 HA1 GLY 4 -24.731 -11.036 -1.396 24 H HIS 5 HN HIS 5 -22.925 -9.138 -2.906 25 HA HIS 5 HA HIS 5 -21.190 -8.269 -0.705 26 1HB HIS 5 HB2 HIS 5 -20.320 -9.949 -3.065 27 2HB HIS 5 HB1 HIS 5 -19.224 -9.199 -1.909 28 HD1 HIS 5 HD1 HIS 5 -20.008 -9.957 0.736 29 HD2 HIS 5 HD2 HIS 5 -20.716 -12.537 -2.444 30 HE1 HIS 5 HE1 HIS 5 -20.274 -12.236 1.765 31 HE2 HIS 5 HE2 HIS 5 -20.764 -13.771 -0.172 32 H ILE 6 HN ILE 6 -22.499 -7.778 -3.823 33 HA ILE 6 HA ILE 6 -20.651 -5.559 -4.364 34 HB ILE 6 HB ILE 6 -22.717 -6.763 -6.212 35 1HG1 ILE 6 HG12 ILE 6 -20.961 -8.389 -5.683 36 2HG1 ILE 6 HG11 ILE 6 -20.816 -7.835 -7.347 37 1HG2 ILE 6 HG21 ILE 6 -20.440 -5.278 -7.314 38 2HG2 ILE 6 HG22 ILE 6 -21.575 -4.305 -6.379 39 3HG2 ILE 6 HG23 ILE 6 -22.146 -5.241 -7.760 40 1HD1 ILE 6 HD11 ILE 6 -18.738 -7.166 -6.994 41 2HD1 ILE 6 HD12 ILE 6 -18.830 -7.897 -5.391 42 3HD1 ILE 6 HD13 ILE 6 -19.229 -6.192 -5.608 43 H ASP 7 HN ASP 7 -21.722 -4.363 -2.598 44 HA ASP 7 HA ASP 7 -24.031 -2.888 -3.641 45 1HB ASP 7 HB2 ASP 7 -23.792 -3.936 -0.812 46 2HB ASP 7 HB1 ASP 7 -25.048 -2.844 -1.384 47 H ASP 8 HN ASP 8 -22.615 -2.615 -0.435 48 HA ASP 8 HA ASP 8 -20.750 -0.583 -1.001 49 1HB ASP 8 HB2 ASP 8 -21.980 1.350 -0.022 50 2HB ASP 8 HB1 ASP 8 -22.658 0.798 -1.550 51 H ASP 9 HN ASP 9 -19.668 -2.050 0.431 52 HA ASP 9 HA ASP 9 -19.969 -1.267 3.206 53 1HB ASP 9 HB2 ASP 9 -21.471 -3.217 2.989 54 2HB ASP 9 HB1 ASP 9 -20.122 -4.178 2.394 55 H ASP 10 HN ASP 10 -18.371 -4.121 1.844 56 HA ASP 10 HA ASP 10 -15.849 -3.200 2.938 57 1HB ASP 10 HB2 ASP 10 -16.579 -5.788 1.557 58 2HB ASP 10 HB1 ASP 10 -15.020 -5.445 2.300 59 H LYS 11 HN LYS 11 -17.337 -3.729 -0.169 60 HA LYS 11 HA LYS 11 -14.866 -3.170 -1.594 61 1HB LYS 11 HB2 LYS 11 -17.655 -3.718 -2.625 62 2HB LYS 11 HB1 LYS 11 -16.224 -3.532 -3.630 63 1HG LYS 11 HG2 LYS 11 -15.226 -5.496 -2.539 64 2HG LYS 11 HG1 LYS 11 -16.699 -5.694 -1.588 65 1HD LYS 11 HD2 LYS 11 -17.986 -5.984 -3.656 66 2HD LYS 11 HD1 LYS 11 -16.506 -5.798 -4.599 67 1HE LYS 11 HE2 LYS 11 -17.058 -8.146 -4.367 68 2HE LYS 11 HE1 LYS 11 -15.572 -7.783 -3.491 69 1HZ LYS 11 HZ1 LYS 11 -18.257 -7.979 -2.240 70 2HZ LYS 11 HZ2 LYS 11 -16.784 -7.763 -1.436 71 3HZ LYS 11 HZ3 LYS 11 -17.103 -9.217 -2.239 72 H HIS 12 HN HIS 12 -17.351 -1.415 -0.212 73 HA HIS 12 HA HIS 12 -17.548 0.691 -2.145 74 1HB HIS 12 HB2 HIS 12 -19.385 0.243 -0.594 75 2HB HIS 12 HB1 HIS 12 -18.343 0.613 0.775 76 HD1 HIS 12 HD1 HIS 12 -19.363 2.467 -2.401 77 HD2 HIS 12 HD2 HIS 12 -18.839 3.102 1.671 78 HE1 HIS 12 HE1 HIS 12 -19.956 4.880 -2.016 79 HE2 HIS 12 HE2 HIS 12 -19.546 5.264 0.440 80 H MET 13 HN MET 13 -15.504 -0.040 0.564 81 HA MET 13 HA MET 13 -14.487 2.556 1.032 82 1HB MET 13 HB2 MET 13 -13.199 -0.136 1.521 83 2HB MET 13 HB1 MET 13 -12.627 1.393 2.174 84 1HG MET 13 HG2 MET 13 -15.288 0.112 2.755 85 2HG MET 13 HG1 MET 13 -13.886 0.125 3.824 86 1HE MET 13 HE1 MET 13 -15.351 1.366 5.924 87 2HE MET 13 HE2 MET 13 -16.598 0.866 4.781 88 3HE MET 13 HE3 MET 13 -16.612 2.501 5.442 89 H ALA 14 HN ALA 14 -13.939 0.249 -1.443 90 HA ALA 14 HA ALA 14 -11.442 1.516 -2.286 91 1HB ALA 14 HB1 ALA 14 -10.922 -0.556 -2.892 92 2HB ALA 14 HB2 ALA 14 -12.173 -0.470 -4.132 93 3HB ALA 14 HB3 ALA 14 -12.557 -1.112 -2.535 94 H GLU 15 HN GLU 15 -14.793 1.588 -2.930 95 HA GLU 15 HA GLU 15 -14.491 2.598 -5.639 96 1HB GLU 15 HB2 GLU 15 -16.962 2.255 -3.933 97 2HB GLU 15 HB1 GLU 15 -16.956 2.737 -5.623 98 1HG GLU 15 HG2 GLU 15 -15.964 0.107 -4.546 99 2HG GLU 15 HG1 GLU 15 -17.515 0.378 -5.337 100 H ARG 16 HN ARG 16 -14.771 3.791 -2.437 101 HA ARG 16 HA ARG 16 -15.729 6.408 -3.183 102 1HB ARG 16 HB2 ARG 16 -15.362 6.974 -0.820 103 2HB ARG 16 HB1 ARG 16 -16.292 5.492 -0.992 104 1HG ARG 16 HG2 ARG 16 -14.313 4.169 -0.515 105 2HG ARG 16 HG1 ARG 16 -13.343 5.640 -0.400 106 1HD ARG 16 HD2 ARG 16 -15.668 4.905 1.375 107 2HD ARG 16 HD1 ARG 16 -13.963 4.803 1.810 108 HE ARG 16 HE ARG 16 -14.509 7.423 0.999 109 1HH1 ARG 16 HH11 ARG 16 -15.304 5.230 3.588 110 2HH1 ARG 16 HH12 ARG 16 -15.529 6.488 4.757 111 1HH2 ARG 16 HH21 ARG 16 -14.805 9.085 2.531 112 2HH2 ARG 16 HH22 ARG 16 -15.246 8.679 4.156 113 H LEU 17 HN LEU 17 -14.277 8.229 -1.927 114 HA LEU 17 HA LEU 17 -11.899 8.392 -3.537 115 1HB LEU 17 HB2 LEU 17 -12.972 10.270 -1.427 116 2HB LEU 17 HB1 LEU 17 -11.614 10.613 -2.479 117 HG LEU 17 HG LEU 17 -13.486 11.775 -3.358 118 1HD1 LEU 17 HD11 LEU 17 -13.397 9.336 -5.092 119 2HD1 LEU 17 HD12 LEU 17 -12.000 10.400 -4.930 120 3HD1 LEU 17 HD13 LEU 17 -13.522 11.032 -5.559 121 1HD2 LEU 17 HD21 LEU 17 -15.099 10.115 -2.133 122 2HD2 LEU 17 HD22 LEU 17 -15.120 9.307 -3.701 123 3HD2 LEU 17 HD23 LEU 17 -15.630 10.990 -3.570 124 H SER 18 HN SER 18 -9.864 9.313 -2.367 125 HA SER 18 HA SER 18 -9.352 7.630 -0.002 126 1HB SER 18 HB2 SER 18 -7.413 8.390 -2.200 127 2HB SER 18 HB1 SER 18 -7.023 7.426 -0.776 128 HG SER 18 HG SER 18 -8.793 6.004 -1.577 129 H GLU 19 HN GLU 19 -9.894 9.337 1.418 130 HA GLU 19 HA GLU 19 -8.419 11.825 1.272 131 1HB GLU 19 HB2 GLU 19 -10.333 10.820 3.386 132 2HB GLU 19 HB1 GLU 19 -9.701 12.456 3.265 133 1HG GLU 19 HG2 GLU 19 -11.461 11.092 1.241 134 2HG GLU 19 HG1 GLU 19 -11.972 12.309 2.410 135 H GLU 20 HN GLU 20 -7.795 8.778 2.452 136 HA GLU 20 HA GLU 20 -6.455 9.415 4.880 137 1HB GLU 20 HB2 GLU 20 -6.295 7.005 3.071 138 2HB GLU 20 HB1 GLU 20 -5.461 7.122 4.614 139 1HG GLU 20 HG2 GLU 20 -7.501 5.862 4.860 140 2HG GLU 20 HG1 GLU 20 -7.613 7.377 5.752 141 H GLU 21 HN GLU 21 -5.144 8.366 1.732 142 HA GLU 21 HA GLU 21 -2.471 8.944 2.338 143 1HB GLU 21 HB2 GLU 21 -3.839 8.826 -0.354 144 2HB GLU 21 HB1 GLU 21 -2.099 8.846 -0.115 145 1HG GLU 21 HG2 GLU 21 -2.742 6.603 -0.512 146 2HG GLU 21 HG1 GLU 21 -2.329 6.738 1.195 147 H ILE 22 HN ILE 22 -4.424 10.718 -0.046 148 HA ILE 22 HA ILE 22 -2.759 12.946 -0.184 149 HB ILE 22 HB ILE 22 -4.550 14.090 -1.327 150 1HG1 ILE 22 HG12 ILE 22 -6.331 11.833 -0.382 151 2HG1 ILE 22 HG11 ILE 22 -6.380 13.488 0.214 152 1HG2 ILE 22 HG21 ILE 22 -3.418 11.708 -2.099 153 2HG2 ILE 22 HG22 ILE 22 -4.313 12.815 -3.142 154 3HG2 ILE 22 HG23 ILE 22 -5.138 11.447 -2.394 155 1HD1 ILE 22 HD11 ILE 22 -7.139 12.471 -2.503 156 2HD1 ILE 22 HD12 ILE 22 -6.889 14.183 -2.161 157 3HD1 ILE 22 HD13 ILE 22 -8.151 13.290 -1.313 158 H GLY 23 HN GLY 23 -4.849 12.080 2.364 159 1HA GLY 23 HA2 GLY 23 -5.508 14.777 3.136 160 2HA GLY 23 HA1 GLY 23 -5.836 13.322 4.057 161 H GLY 24 HN GLY 24 -3.737 12.283 4.996 162 1HA GLY 24 HA2 GLY 24 -2.371 14.462 6.394 163 2HA GLY 24 HA1 GLY 24 -2.461 12.796 6.924 164 H LEU 25 HN LEU 25 -1.317 11.245 5.334 165 HA LEU 25 HA LEU 25 1.418 11.911 5.403 166 1HB LEU 25 HB2 LEU 25 0.274 9.618 5.561 167 2HB LEU 25 HB1 LEU 25 0.300 9.635 3.808 168 HG LEU 25 HG LEU 25 2.758 9.843 3.856 169 1HD1 LEU 25 HD11 LEU 25 3.910 9.400 6.021 170 2HD1 LEU 25 HD12 LEU 25 2.363 9.637 6.835 171 3HD1 LEU 25 HD13 LEU 25 3.101 10.965 5.939 172 1HD2 LEU 25 HD21 LEU 25 3.194 7.551 4.833 173 2HD2 LEU 25 HD22 LEU 25 1.934 7.644 3.603 174 3HD2 LEU 25 HD23 LEU 25 1.496 7.531 5.307 175 H LYS 26 HN LYS 26 -0.855 12.789 3.113 176 HA LYS 26 HA LYS 26 0.140 12.470 0.628 177 1HB LYS 26 HB2 LYS 26 -1.861 13.792 1.142 178 2HB LYS 26 HB1 LYS 26 -0.848 15.093 1.751 179 1HG LYS 26 HG2 LYS 26 0.134 15.353 -0.486 180 2HG LYS 26 HG1 LYS 26 -0.932 14.081 -1.084 181 1HD LYS 26 HD2 LYS 26 -2.881 15.433 -0.465 182 2HD LYS 26 HD1 LYS 26 -1.809 16.706 0.121 183 1HE LYS 26 HE2 LYS 26 -1.948 15.683 -2.714 184 2HE LYS 26 HE1 LYS 26 -2.659 17.187 -2.128 185 1HZ LYS 26 HZ1 LYS 26 0.154 16.520 -2.599 186 2HZ LYS 26 HZ2 LYS 26 -0.209 17.614 -1.360 187 3HZ LYS 26 HZ3 LYS 26 -0.690 17.945 -2.947 188 H GLU 27 HN GLU 27 1.729 14.229 3.151 189 HA GLU 27 HA GLU 27 3.483 15.676 1.367 190 1HB GLU 27 HB2 GLU 27 2.824 16.677 3.490 191 2HB GLU 27 HB1 GLU 27 3.528 15.322 4.365 192 1HG GLU 27 HG2 GLU 27 4.974 17.272 4.440 193 2HG GLU 27 HG1 GLU 27 5.742 15.941 3.577 194 H LEU 28 HN LEU 28 3.783 12.989 3.660 195 HA LEU 28 HA LEU 28 6.520 12.493 2.844 196 1HB LEU 28 HB2 LEU 28 5.981 12.320 5.183 197 2HB LEU 28 HB1 LEU 28 4.716 11.156 4.850 198 HG LEU 28 HG LEU 28 6.421 9.535 4.104 199 1HD1 LEU 28 HD11 LEU 28 8.474 10.191 3.591 200 2HD1 LEU 28 HD12 LEU 28 8.738 10.682 5.264 201 3HD1 LEU 28 HD13 LEU 28 8.088 11.835 4.098 202 1HD2 LEU 28 HD21 LEU 28 7.528 10.120 6.702 203 2HD2 LEU 28 HD22 LEU 28 6.478 8.795 6.197 204 3HD2 LEU 28 HD23 LEU 28 5.778 10.339 6.685 205 H PHE 29 HN PHE 29 3.473 10.630 2.881 206 HA PHE 29 HA PHE 29 4.209 8.281 1.786 207 1HB PHE 29 HB2 PHE 29 1.869 9.087 2.408 208 2HB PHE 29 HB1 PHE 29 1.767 9.721 0.769 209 HD1 PHE 29 HD1 PHE 29 0.230 8.384 -0.324 210 HD2 PHE 29 HD2 PHE 29 3.274 6.569 2.025 211 HE1 PHE 29 HE1 PHE 29 -0.470 6.173 -1.126 212 HE2 PHE 29 HE2 PHE 29 2.580 4.356 1.228 213 HZ PHE 29 HZ PHE 29 0.702 4.148 -0.352 214 H LYS 30 HN LYS 30 3.638 11.251 -0.060 215 HA LYS 30 HA LYS 30 4.066 10.052 -2.604 216 1HB LYS 30 HB2 LYS 30 3.712 12.152 -3.484 217 2HB LYS 30 HB1 LYS 30 2.941 12.324 -1.917 218 1HG LYS 30 HG2 LYS 30 4.873 13.462 -1.033 219 2HG LYS 30 HG1 LYS 30 5.736 13.223 -2.554 220 1HD LYS 30 HD2 LYS 30 3.999 14.559 -3.704 221 2HD LYS 30 HD1 LYS 30 3.231 14.855 -2.143 222 1HE LYS 30 HE2 LYS 30 4.624 16.742 -2.794 223 2HE LYS 30 HE1 LYS 30 5.266 15.958 -1.352 224 1HZ LYS 30 HZ1 LYS 30 6.874 16.592 -3.224 225 2HZ LYS 30 HZ2 LYS 30 6.269 15.233 -4.030 226 3HZ LYS 30 HZ3 LYS 30 7.027 15.057 -2.528 227 H MET 31 HN MET 31 6.092 11.799 -0.341 228 HA MET 31 HA MET 31 8.390 11.879 -2.036 229 1HB MET 31 HB2 MET 31 8.007 13.532 -0.257 230 2HB MET 31 HB1 MET 31 8.180 12.269 0.954 231 1HG MET 31 HG2 MET 31 10.492 11.918 0.274 232 2HG MET 31 HG1 MET 31 10.322 13.163 -0.962 233 1HE MET 31 HE1 MET 31 9.414 14.093 3.359 234 2HE MET 31 HE2 MET 31 10.727 12.919 3.270 235 3HE MET 31 HE3 MET 31 9.176 12.566 2.509 236 H ILE 32 HN ILE 32 7.044 9.454 -0.021 237 HA ILE 32 HA ILE 32 9.598 8.073 0.285 238 HB ILE 32 HB ILE 32 8.000 8.090 2.193 239 1HG1 ILE 32 HG12 ILE 32 8.175 5.665 2.686 240 2HG1 ILE 32 HG11 ILE 32 8.604 5.374 1.003 241 1HG2 ILE 32 HG21 ILE 32 6.214 6.065 1.535 242 2HG2 ILE 32 HG22 ILE 32 6.192 7.154 0.148 243 3HG2 ILE 32 HG23 ILE 32 5.843 7.775 1.762 244 1HD1 ILE 32 HD11 ILE 32 10.337 7.370 2.042 245 2HD1 ILE 32 HD12 ILE 32 10.727 5.747 1.469 246 3HD1 ILE 32 HD13 ILE 32 10.301 6.007 3.161 247 H ASP 33 HN ASP 33 6.753 8.065 -1.649 248 HA ASP 33 HA ASP 33 7.201 5.430 -2.748 249 1HB ASP 33 HB2 ASP 33 4.913 6.261 -2.530 250 2HB ASP 33 HB1 ASP 33 5.295 7.640 -3.555 251 H THR 34 HN THR 34 8.512 4.991 -4.392 252 HA THR 34 HA THR 34 10.238 6.840 -5.551 253 HB THR 34 HB THR 34 10.398 4.294 -5.486 254 HG1 THR 34 HG1 THR 34 11.228 4.534 -7.916 255 1HG2 THR 34 HG21 THR 34 8.181 3.990 -6.704 256 2HG2 THR 34 HG22 THR 34 9.541 2.978 -7.192 257 3HG2 THR 34 HG23 THR 34 9.087 4.376 -8.167 258 H ASP 35 HN ASP 35 7.070 5.792 -6.465 259 HA ASP 35 HA ASP 35 7.129 7.039 -9.057 260 1HB ASP 35 HB2 ASP 35 5.769 4.970 -8.397 261 2HB ASP 35 HB1 ASP 35 4.655 6.102 -7.638 262 H ASN 36 HN ASN 36 6.435 7.994 -5.866 263 HA ASN 36 HA ASN 36 5.576 9.899 -4.947 264 1HB ASN 36 HB2 ASN 36 6.622 11.074 -7.534 265 2HB ASN 36 HB1 ASN 36 6.194 12.000 -6.099 266 1HD2 ASN 36 HD21 ASN 36 7.848 12.569 -4.910 267 2HD2 ASN 36 HD22 ASN 36 9.335 11.706 -4.741 268 H SER 37 HN SER 37 3.885 8.294 -6.932 269 HA SER 37 HA SER 37 2.106 10.305 -8.028 270 1HB SER 37 HB2 SER 37 0.772 8.386 -8.805 271 2HB SER 37 HB1 SER 37 2.468 8.197 -9.249 272 HG SER 37 HG SER 37 1.027 6.893 -7.197 273 H GLY 38 HN GLY 38 2.566 8.635 -5.141 274 1HA GLY 38 HA2 GLY 38 1.385 9.355 -3.159 275 2HA GLY 38 HA1 GLY 38 -0.041 9.619 -4.153 276 H THR 39 HN THR 39 1.717 6.783 -4.809 277 HA THR 39 HA THR 39 0.222 5.100 -2.975 278 HB THR 39 HB THR 39 -0.655 3.671 -4.803 279 HG1 THR 39 HG1 THR 39 0.476 4.057 -6.575 280 1HG2 THR 39 HG21 THR 39 -1.695 6.385 -5.441 281 2HG2 THR 39 HG22 THR 39 -1.954 5.704 -3.835 282 3HG2 THR 39 HG23 THR 39 -2.558 4.858 -5.259 283 H ILE 40 HN ILE 40 1.433 3.354 -2.392 284 HA ILE 40 HA ILE 40 3.928 2.965 -3.905 285 HB ILE 40 HB ILE 40 3.211 2.358 -1.040 286 1HG1 ILE 40 HG12 ILE 40 5.486 3.934 -2.247 287 2HG1 ILE 40 HG11 ILE 40 3.972 4.648 -1.692 288 1HG2 ILE 40 HG21 ILE 40 5.830 1.664 -1.207 289 2HG2 ILE 40 HG22 ILE 40 5.217 1.059 -2.746 290 3HG2 ILE 40 HG23 ILE 40 4.489 0.519 -1.233 291 1HD1 ILE 40 HD11 ILE 40 4.700 4.712 0.400 292 2HD1 ILE 40 HD12 ILE 40 6.285 4.238 -0.212 293 3HD1 ILE 40 HD13 ILE 40 5.156 3.009 0.359 294 H THR 41 HN THR 41 4.578 0.954 -4.602 295 HA THR 41 HA THR 41 2.717 -1.283 -4.209 296 HB THR 41 HB THR 41 2.935 -1.895 -6.582 297 HG1 THR 41 HG1 THR 41 3.829 -0.253 -7.986 298 1HG2 THR 41 HG21 THR 41 1.640 -0.104 -7.612 299 2HG2 THR 41 HG22 THR 41 1.992 0.940 -6.235 300 3HG2 THR 41 HG23 THR 41 1.025 -0.518 -6.012 301 H PHE 42 HN PHE 42 3.662 -3.336 -4.358 302 HA PHE 42 HA PHE 42 5.912 -3.944 -3.125 303 1HB PHE 42 HB2 PHE 42 4.460 -5.689 -3.755 304 2HB PHE 42 HB1 PHE 42 4.612 -5.313 -5.466 305 HD1 PHE 42 HD1 PHE 42 5.627 -6.986 -6.612 306 HD2 PHE 42 HD2 PHE 42 7.040 -6.018 -2.722 307 HE1 PHE 42 HE1 PHE 42 7.385 -8.679 -6.837 308 HE2 PHE 42 HE2 PHE 42 8.803 -7.708 -2.938 309 HZ PHE 42 HZ PHE 42 8.985 -9.049 -4.998 310 H ASP 43 HN ASP 43 5.878 -3.846 -6.705 311 HA ASP 43 HA ASP 43 8.586 -4.156 -7.124 312 1HB ASP 43 HB2 ASP 43 6.867 -4.173 -8.911 313 2HB ASP 43 HB1 ASP 43 6.715 -2.426 -8.758 314 H GLU 44 HN GLU 44 6.794 -1.234 -6.364 315 HA GLU 44 HA GLU 44 9.151 0.442 -6.575 316 1HB GLU 44 HB2 GLU 44 6.415 1.188 -5.539 317 2HB GLU 44 HB1 GLU 44 7.671 2.276 -6.115 318 1HG GLU 44 HG2 GLU 44 7.436 1.358 -8.363 319 2HG GLU 44 HG1 GLU 44 6.174 0.273 -7.787 320 H LEU 45 HN LEU 45 7.579 -1.426 -4.194 321 HA LEU 45 HA LEU 45 8.199 0.075 -1.898 322 1HB LEU 45 HB2 LEU 45 6.544 -1.742 -1.900 323 2HB LEU 45 HB1 LEU 45 7.834 -2.908 -2.142 324 HG LEU 45 HG LEU 45 8.827 -2.094 0.039 325 1HD1 LEU 45 HD11 LEU 45 7.360 -0.945 1.589 326 2HD1 LEU 45 HD12 LEU 45 6.106 -0.839 0.353 327 3HD1 LEU 45 HD13 LEU 45 7.624 0.035 0.146 328 1HD2 LEU 45 HD21 LEU 45 7.281 -4.140 -0.405 329 2HD2 LEU 45 HD22 LEU 45 6.108 -3.213 0.530 330 3HD2 LEU 45 HD23 LEU 45 7.658 -3.655 1.247 331 H LYS 46 HN LYS 46 9.694 -2.906 -3.112 332 HA LYS 46 HA LYS 46 11.895 -2.968 -1.439 333 1HB LYS 46 HB2 LYS 46 12.919 -4.440 -3.128 334 2HB LYS 46 HB1 LYS 46 11.240 -4.862 -2.818 335 1HG LYS 46 HG2 LYS 46 10.574 -3.676 -4.855 336 2HG LYS 46 HG1 LYS 46 12.266 -3.287 -5.168 337 1HD LYS 46 HD2 LYS 46 12.792 -5.664 -5.326 338 2HD LYS 46 HD1 LYS 46 11.111 -6.068 -4.976 339 1HE LYS 46 HE2 LYS 46 11.564 -6.210 -7.367 340 2HE LYS 46 HE1 LYS 46 10.407 -4.926 -7.018 341 1HZ LYS 46 HZ1 LYS 46 13.139 -4.745 -8.018 342 2HZ LYS 46 HZ2 LYS 46 12.644 -3.535 -6.945 343 3HZ LYS 46 HZ3 LYS 46 11.787 -3.793 -8.380 344 H ASP 47 HN ASP 47 11.372 -1.191 -4.404 345 HA ASP 47 HA ASP 47 13.871 -0.494 -5.225 346 1HB ASP 47 HB2 ASP 47 11.847 0.210 -6.375 347 2HB ASP 47 HB1 ASP 47 11.448 1.307 -5.059 348 H GLY 48 HN GLY 48 12.530 0.257 -2.175 349 1HA GLY 48 HA2 GLY 48 13.925 2.688 -1.670 350 2HA GLY 48 HA1 GLY 48 13.243 1.617 -0.454 351 H LEU 49 HN LEU 49 14.530 -0.549 -0.312 352 HA LEU 49 HA LEU 49 17.299 0.209 0.184 353 1HB LEU 49 HB2 LEU 49 15.652 -2.177 1.001 354 2HB LEU 49 HB1 LEU 49 17.375 -2.076 1.295 355 HG LEU 49 HG LEU 49 16.152 -1.492 3.299 356 1HD1 LEU 49 HD11 LEU 49 17.135 0.692 3.761 357 2HD1 LEU 49 HD12 LEU 49 17.422 0.931 2.038 358 3HD1 LEU 49 HD13 LEU 49 18.264 -0.355 2.902 359 1HD2 LEU 49 HD21 LEU 49 14.160 -0.606 1.888 360 2HD2 LEU 49 HD22 LEU 49 15.012 0.935 1.983 361 3HD2 LEU 49 HD23 LEU 49 14.505 0.115 3.460 362 H LYS 50 HN LYS 50 15.481 -1.366 -2.180 363 HA LYS 50 HA LYS 50 17.579 -3.155 -3.011 364 1HB LYS 50 HB2 LYS 50 14.782 -2.668 -3.908 365 2HB LYS 50 HB1 LYS 50 15.896 -3.487 -4.994 366 1HG LYS 50 HG2 LYS 50 14.549 -5.049 -3.662 367 2HG LYS 50 HG1 LYS 50 16.278 -5.225 -3.366 368 1HD LYS 50 HD2 LYS 50 15.973 -3.749 -1.350 369 2HD LYS 50 HD1 LYS 50 14.232 -3.881 -1.609 370 1HE LYS 50 HE2 LYS 50 14.335 -6.279 -1.336 371 2HE LYS 50 HE1 LYS 50 16.092 -6.220 -1.208 372 1HZ LYS 50 HZ1 LYS 50 14.612 -6.321 0.915 373 2HZ LYS 50 HZ2 LYS 50 14.484 -4.651 0.679 374 3HZ LYS 50 HZ3 LYS 50 16.004 -5.360 0.893 375 H ARG 51 HN ARG 51 16.775 0.080 -3.638 376 HA ARG 51 HA ARG 51 17.674 0.217 -6.339 377 1HB ARG 51 HB2 ARG 51 16.205 1.930 -5.303 378 2HB ARG 51 HB1 ARG 51 17.543 2.427 -4.278 379 1HG ARG 51 HG2 ARG 51 17.285 3.941 -6.152 380 2HG ARG 51 HG1 ARG 51 18.821 3.079 -6.259 381 1HD ARG 51 HD2 ARG 51 17.831 1.525 -7.873 382 2HD ARG 51 HD1 ARG 51 16.298 2.388 -7.764 383 HE ARG 51 HE ARG 51 18.274 4.226 -8.475 384 1HH1 ARG 51 HH11 ARG 51 16.689 1.418 -9.799 385 2HH1 ARG 51 HH12 ARG 51 16.880 1.928 -11.444 386 1HH2 ARG 51 HH21 ARG 51 18.526 4.904 -10.637 387 2HH2 ARG 51 HH22 ARG 51 17.921 3.909 -11.919 388 H VAL 52 HN VAL 52 19.254 -0.259 -3.423 389 HA VAL 52 HA VAL 52 21.724 1.052 -4.166 390 HB VAL 52 HB VAL 52 20.947 0.884 -1.790 391 1HG1 VAL 52 HG11 VAL 52 22.045 -1.768 -1.368 392 2HG1 VAL 52 HG12 VAL 52 20.594 -1.788 -2.370 393 3HG1 VAL 52 HG13 VAL 52 20.550 -1.053 -0.768 394 1HG2 VAL 52 HG21 VAL 52 23.064 1.098 -1.105 395 2HG2 VAL 52 HG22 VAL 52 23.454 0.902 -2.813 396 3HG2 VAL 52 HG23 VAL 52 23.533 -0.484 -1.726 397 H GLY 53 HN GLY 53 20.298 -2.121 -4.324 398 1HA GLY 53 HA2 GLY 53 20.997 -4.056 -5.335 399 2HA GLY 53 HA1 GLY 53 22.157 -3.067 -6.206 400 H SER 54 HN SER 54 21.833 -3.885 -2.738 401 HA SER 54 HA SER 54 24.679 -4.355 -2.592 402 1HB SER 54 HB2 SER 54 22.502 -4.628 -0.504 403 2HB SER 54 HB1 SER 54 24.228 -4.805 -0.185 404 HG SER 54 HG SER 54 24.230 -2.574 -1.293 405 H GLU 55 HN GLU 55 22.907 -6.467 -0.592 406 HA GLU 55 HA GLU 55 23.157 -8.726 -2.422 407 1HB GLU 55 HB2 GLU 55 25.302 -8.512 -1.115 408 2HB GLU 55 HB1 GLU 55 24.368 -8.781 0.349 409 1HG GLU 55 HG2 GLU 55 23.713 -10.983 -0.458 410 2HG GLU 55 HG1 GLU 55 24.619 -10.714 -1.946 411 H LEU 56 HN LEU 56 20.974 -7.212 -1.283 412 HA LEU 56 HA LEU 56 19.786 -8.842 0.773 413 1HB LEU 56 HB2 LEU 56 17.740 -7.335 0.147 414 2HB LEU 56 HB1 LEU 56 19.091 -6.686 1.067 415 HG LEU 56 HG LEU 56 20.008 -5.761 -1.079 416 1HD1 LEU 56 HD11 LEU 56 18.770 -7.328 -2.565 417 2HD1 LEU 56 HD12 LEU 56 18.621 -5.631 -3.021 418 3HD1 LEU 56 HD13 LEU 56 17.293 -6.441 -2.189 419 1HD2 LEU 56 HD21 LEU 56 17.399 -4.916 0.097 420 2HD2 LEU 56 HD22 LEU 56 18.078 -4.037 -1.273 421 3HD2 LEU 56 HD23 LEU 56 18.989 -4.165 0.232 422 H MET 57 HN MET 57 17.505 -9.576 0.497 423 HA MET 57 HA MET 57 17.134 -10.802 -2.149 424 1HB MET 57 HB2 MET 57 16.079 -12.729 -0.912 425 2HB MET 57 HB1 MET 57 17.817 -12.565 -0.703 426 1HG MET 57 HG2 MET 57 17.455 -11.500 1.465 427 2HG MET 57 HG1 MET 57 15.713 -11.669 1.254 428 1HE MET 57 HE1 MET 57 16.479 -14.290 4.055 429 2HE MET 57 HE2 MET 57 15.615 -12.815 3.621 430 3HE MET 57 HE3 MET 57 17.365 -12.782 3.833 431 H GLU 58 HN GLU 58 15.359 -10.145 -3.100 432 HA GLU 58 HA GLU 58 13.420 -8.505 -1.942 433 1HB GLU 58 HB2 GLU 58 13.410 -10.164 -4.457 434 2HB GLU 58 HB1 GLU 58 12.045 -9.156 -4.003 435 1HG GLU 58 HG2 GLU 58 13.440 -8.009 -5.598 436 2HG GLU 58 HG1 GLU 58 13.493 -7.183 -4.044 437 H SER 59 HN SER 59 13.912 -11.765 -1.508 438 HA SER 59 HA SER 59 11.293 -12.796 -1.382 439 1HB SER 59 HB2 SER 59 12.269 -14.607 -0.036 440 2HB SER 59 HB1 SER 59 13.293 -14.237 -1.423 441 HG SER 59 HG SER 59 14.565 -12.940 0.025 442 H GLU 60 HN GLU 60 13.009 -10.648 0.607 443 HA GLU 60 HA GLU 60 11.424 -11.127 2.983 444 1HB GLU 60 HB2 GLU 60 13.483 -9.009 2.329 445 2HB GLU 60 HB1 GLU 60 12.716 -9.213 3.893 446 1HG GLU 60 HG2 GLU 60 14.429 -11.275 2.534 447 2HG GLU 60 HG1 GLU 60 14.974 -10.174 3.797 448 H ILE 61 HN ILE 61 11.810 -8.714 0.442 449 HA ILE 61 HA ILE 61 10.058 -6.754 1.312 450 HB ILE 61 HB ILE 61 10.505 -7.659 -1.536 451 1HG1 ILE 61 HG12 ILE 61 12.578 -7.094 -0.302 452 2HG1 ILE 61 HG11 ILE 61 12.246 -5.964 -1.609 453 1HG2 ILE 61 HG21 ILE 61 8.520 -6.206 -1.221 454 2HG2 ILE 61 HG22 ILE 61 9.782 -5.458 -2.201 455 3HG2 ILE 61 HG23 ILE 61 9.572 -4.978 -0.517 456 1HD1 ILE 61 HD11 ILE 61 11.558 -4.281 -0.100 457 2HD1 ILE 61 HD12 ILE 61 13.047 -4.961 0.556 458 3HD1 ILE 61 HD13 ILE 61 11.490 -5.418 1.247 459 H LYS 62 HN LYS 62 9.343 -9.948 0.301 460 HA LYS 62 HA LYS 62 6.650 -9.511 -0.570 461 1HB LYS 62 HB2 LYS 62 7.716 -12.095 0.546 462 2HB LYS 62 HB1 LYS 62 6.480 -11.861 -0.686 463 1HG LYS 62 HG2 LYS 62 9.378 -11.169 -1.011 464 2HG LYS 62 HG1 LYS 62 8.629 -12.664 -1.586 465 1HD LYS 62 HD2 LYS 62 7.821 -9.879 -2.424 466 2HD LYS 62 HD1 LYS 62 8.855 -10.952 -3.363 467 1HE LYS 62 HE2 LYS 62 6.002 -11.513 -2.558 468 2HE LYS 62 HE1 LYS 62 6.534 -10.991 -4.156 469 1HZ LYS 62 HZ1 LYS 62 7.911 -13.324 -3.186 470 2HZ LYS 62 HZ2 LYS 62 7.176 -13.047 -4.684 471 3HZ LYS 62 HZ3 LYS 62 6.245 -13.559 -3.369 472 H ASP 63 HN ASP 63 7.919 -11.205 2.294 473 HA ASP 63 HA ASP 63 5.522 -11.139 3.749 474 1HB ASP 63 HB2 ASP 63 8.370 -11.208 4.787 475 2HB ASP 63 HB1 ASP 63 6.934 -11.590 5.731 476 H LEU 64 HN LEU 64 7.763 -8.753 2.905 477 HA LEU 64 HA LEU 64 7.143 -6.961 5.107 478 1HB LEU 64 HB2 LEU 64 8.859 -6.719 2.646 479 2HB LEU 64 HB1 LEU 64 8.545 -5.348 3.696 480 HG LEU 64 HG LEU 64 9.902 -7.920 4.517 481 1HD1 LEU 64 HD11 LEU 64 11.898 -6.939 4.172 482 2HD1 LEU 64 HD12 LEU 64 11.314 -5.342 4.639 483 3HD1 LEU 64 HD13 LEU 64 10.991 -5.960 3.020 484 1HD2 LEU 64 HD21 LEU 64 8.825 -7.132 6.442 485 2HD2 LEU 64 HD22 LEU 64 9.134 -5.445 6.033 486 3HD2 LEU 64 HD23 LEU 64 10.460 -6.482 6.558 487 H MET 65 HN MET 65 6.319 -7.321 1.693 488 HA MET 65 HA MET 65 4.727 -4.892 1.712 489 1HB MET 65 HB2 MET 65 6.024 -5.444 -0.290 490 2HB MET 65 HB1 MET 65 5.147 -6.958 -0.455 491 1HG MET 65 HG2 MET 65 4.325 -5.278 -2.005 492 2HG MET 65 HG1 MET 65 3.082 -5.742 -0.845 493 1HE MET 65 HE1 MET 65 2.872 -3.180 -2.672 494 2HE MET 65 HE2 MET 65 2.331 -1.944 -1.535 495 3HE MET 65 HE3 MET 65 1.636 -3.564 -1.474 496 H ASP 66 HN ASP 66 4.106 -8.322 0.955 497 HA ASP 66 HA ASP 66 1.388 -8.286 0.725 498 1HB ASP 66 HB2 ASP 66 2.731 -10.286 0.332 499 2HB ASP 66 HB1 ASP 66 3.054 -10.428 2.057 500 H ALA 67 HN ALA 67 3.217 -8.500 3.763 501 HA ALA 67 HA ALA 67 0.836 -8.649 5.368 502 1HB ALA 67 HB1 ALA 67 2.207 -9.071 7.122 503 2HB ALA 67 HB2 ALA 67 3.403 -7.877 6.618 504 3HB ALA 67 HB3 ALA 67 3.340 -9.450 5.824 505 H ALA 68 HN ALA 68 2.744 -6.124 4.028 506 HA ALA 68 HA ALA 68 2.125 -4.095 5.926 507 1HB ALA 68 HB1 ALA 68 2.855 -3.628 3.049 508 2HB ALA 68 HB2 ALA 68 4.038 -4.091 4.271 509 3HB ALA 68 HB3 ALA 68 3.146 -2.580 4.437 510 H ASP 69 HN ASP 69 0.570 -5.251 2.990 511 HA ASP 69 HA ASP 69 -1.566 -3.269 3.422 512 1HB ASP 69 HB2 ASP 69 -0.466 -2.943 1.281 513 2HB ASP 69 HB1 ASP 69 -0.724 -4.635 0.859 514 H ILE 70 HN ILE 70 -3.508 -3.969 3.949 515 HA ILE 70 HA ILE 70 -3.978 -6.800 4.252 516 HB ILE 70 HB ILE 70 -4.618 -5.216 6.013 517 1HG1 ILE 70 HG12 ILE 70 -5.910 -7.414 5.506 518 2HG1 ILE 70 HG11 ILE 70 -6.606 -6.264 6.638 519 1HG2 ILE 70 HG21 ILE 70 -6.760 -3.870 5.563 520 2HG2 ILE 70 HG22 ILE 70 -6.354 -4.078 3.859 521 3HG2 ILE 70 HG23 ILE 70 -5.229 -3.256 4.940 522 1HD1 ILE 70 HD11 ILE 70 -8.441 -6.084 5.412 523 2HD1 ILE 70 HD12 ILE 70 -7.826 -7.400 4.411 524 3HD1 ILE 70 HD13 ILE 70 -7.509 -5.725 3.958 525 H ASP 71 HN ASP 71 -4.949 -4.272 2.048 526 HA ASP 71 HA ASP 71 -7.249 -5.596 1.015 527 1HB ASP 71 HB2 ASP 71 -5.530 -3.421 -0.187 528 2HB ASP 71 HB1 ASP 71 -7.073 -3.958 -0.845 529 H LYS 72 HN LYS 72 -4.138 -6.551 0.866 530 HA LYS 72 HA LYS 72 -2.797 -7.637 -0.657 531 1HB LYS 72 HB2 LYS 72 -3.779 -9.797 -1.304 532 2HB LYS 72 HB1 LYS 72 -4.074 -9.412 0.383 533 1HG LYS 72 HG2 LYS 72 -6.140 -8.767 -1.673 534 2HG LYS 72 HG1 LYS 72 -5.963 -10.412 -1.073 535 1HD LYS 72 HD2 LYS 72 -6.323 -9.655 1.203 536 2HD LYS 72 HD1 LYS 72 -6.419 -7.983 0.652 537 1HE LYS 72 HE2 LYS 72 -8.393 -8.567 -0.698 538 2HE LYS 72 HE1 LYS 72 -8.307 -10.217 -0.083 539 1HZ LYS 72 HZ1 LYS 72 -8.331 -8.821 2.189 540 2HZ LYS 72 HZ2 LYS 72 -9.726 -9.418 1.443 541 3HZ LYS 72 HZ3 LYS 72 -9.267 -7.807 1.209 542 H SER 73 HN SER 73 -3.944 -5.388 -1.874 543 HA SER 73 HA SER 73 -4.804 -6.240 -4.522 544 1HB SER 73 HB2 SER 73 -5.066 -3.780 -4.919 545 2HB SER 73 HB1 SER 73 -6.015 -4.380 -3.560 546 HG SER 73 HG SER 73 -4.680 -3.392 -2.166 547 H GLY 74 HN GLY 74 -1.945 -5.883 -2.969 548 1HA GLY 74 HA2 GLY 74 0.189 -6.071 -3.905 549 2HA GLY 74 HA1 GLY 74 -0.492 -5.679 -5.478 550 H THR 75 HN THR 75 -1.825 -3.399 -3.750 551 HA THR 75 HA THR 75 0.485 -1.570 -3.872 552 HB THR 75 HB THR 75 -2.387 -0.995 -4.639 553 HG1 THR 75 HG1 THR 75 -0.630 -0.442 -6.546 554 1HG2 THR 75 HG21 THR 75 -0.457 0.987 -5.442 555 2HG2 THR 75 HG22 THR 75 -0.533 0.829 -3.688 556 3HG2 THR 75 HG23 THR 75 -1.997 1.181 -4.605 557 H ILE 76 HN ILE 76 0.891 -0.526 -2.017 558 HA ILE 76 HA ILE 76 -1.074 -0.760 0.132 559 HB ILE 76 HB ILE 76 1.140 -1.550 0.696 560 1HG1 ILE 76 HG12 ILE 76 0.536 1.098 2.036 561 2HG1 ILE 76 HG11 ILE 76 -0.191 -0.448 2.455 562 1HG2 ILE 76 HG21 ILE 76 1.953 0.870 -0.683 563 2HG2 ILE 76 HG22 ILE 76 2.870 -0.597 -0.338 564 3HG2 ILE 76 HG23 ILE 76 2.762 0.681 0.873 565 1HD1 ILE 76 HD11 ILE 76 2.543 0.575 2.995 566 2HD1 ILE 76 HD12 ILE 76 2.302 -1.163 2.817 567 3HD1 ILE 76 HD13 ILE 76 1.419 -0.273 4.058 568 H ASP 77 HN ASP 77 -1.991 0.909 1.139 569 HA ASP 77 HA ASP 77 -1.335 3.617 0.184 570 1HB ASP 77 HB2 ASP 77 -4.049 2.530 0.973 571 2HB ASP 77 HB1 ASP 77 -3.714 4.194 0.504 572 H TYR 78 HN TYR 78 -2.415 5.254 1.833 573 HA TYR 78 HA TYR 78 -0.955 5.132 4.197 574 1HB TYR 78 HB2 TYR 78 -1.918 7.199 3.184 575 2HB TYR 78 HB1 TYR 78 -3.507 6.690 3.743 576 HD1 TYR 78 HD1 TYR 78 -4.217 7.966 5.525 577 HD2 TYR 78 HD2 TYR 78 -0.118 6.852 5.316 578 HE1 TYR 78 HE1 TYR 78 -3.807 9.097 7.669 579 HE2 TYR 78 HE2 TYR 78 0.307 7.979 7.457 580 HH TYR 78 HH TYR 78 -1.705 8.643 9.618 581 H GLY 79 HN GLY 79 -4.187 3.998 3.464 582 1HA GLY 79 HA2 GLY 79 -5.134 3.638 6.083 583 2HA GLY 79 HA1 GLY 79 -5.699 2.767 4.668 584 H GLU 80 HN GLU 80 -3.298 1.419 3.994 585 HA GLU 80 HA GLU 80 -3.384 -0.656 6.013 586 1HB GLU 80 HB2 GLU 80 -1.948 -0.524 3.356 587 2HB GLU 80 HB1 GLU 80 -1.950 -1.926 4.416 588 1HG GLU 80 HG2 GLU 80 -3.562 -2.359 2.770 589 2HG GLU 80 HG1 GLU 80 -4.463 -1.921 4.220 590 H PHE 81 HN PHE 81 -1.108 1.691 4.763 591 HA PHE 81 HA PHE 81 1.273 0.803 5.829 592 1HB PHE 81 HB2 PHE 81 1.062 2.753 4.339 593 2HB PHE 81 HB1 PHE 81 0.311 3.666 5.643 594 HD1 PHE 81 HD1 PHE 81 1.677 5.227 6.582 595 HD2 PHE 81 HD2 PHE 81 3.373 1.559 5.254 596 HE1 PHE 81 HE1 PHE 81 3.895 5.989 7.328 597 HE2 PHE 81 HE2 PHE 81 5.595 2.311 6.000 598 HZ PHE 81 HZ PHE 81 5.858 4.529 7.039 599 H ILE 82 HN ILE 82 -1.234 2.757 7.413 600 HA ILE 82 HA ILE 82 0.217 2.887 9.897 601 HB ILE 82 HB ILE 82 -1.250 4.727 9.250 602 1HG1 ILE 82 HG12 ILE 82 -2.529 4.941 11.367 603 2HG1 ILE 82 HG11 ILE 82 -2.224 3.240 11.700 604 1HG2 ILE 82 HG21 ILE 82 -3.823 3.973 9.740 605 2HG2 ILE 82 HG22 ILE 82 -3.178 2.552 8.917 606 3HG2 ILE 82 HG23 ILE 82 -3.101 4.133 8.138 607 1HD1 ILE 82 HD11 ILE 82 -0.157 3.638 12.443 608 2HD1 ILE 82 HD12 ILE 82 -0.712 5.306 12.597 609 3HD1 ILE 82 HD13 ILE 82 0.186 4.804 11.165 610 H ALA 83 HN ALA 83 -2.428 0.982 8.573 611 HA ALA 83 HA ALA 83 -3.286 -0.216 10.973 612 1HB ALA 83 HB1 ALA 83 -3.430 -1.572 8.301 613 2HB ALA 83 HB2 ALA 83 -4.442 -0.181 8.691 614 3HB ALA 83 HB3 ALA 83 -4.564 -1.657 9.649 615 H ALA 84 HN ALA 84 -0.456 -0.674 9.126 616 HA ALA 84 HA ALA 84 0.115 -3.373 9.536 617 1HB ALA 84 HB1 ALA 84 2.064 -2.886 8.552 618 2HB ALA 84 HB2 ALA 84 2.450 -1.631 9.731 619 3HB ALA 84 HB3 ALA 84 1.405 -1.261 8.359 620 H THR 85 HN THR 85 1.037 -4.530 11.172 621 HA THR 85 HA THR 85 0.980 -3.298 13.805 622 HB THR 85 HB THR 85 1.268 -5.606 14.638 623 HG1 THR 85 HG1 THR 85 2.327 -6.084 12.360 624 1HG2 THR 85 HG21 THR 85 -0.781 -6.242 12.714 625 2HG2 THR 85 HG22 THR 85 -0.982 -4.617 13.368 626 3HG2 THR 85 HG23 THR 85 -0.901 -6.002 14.457 627 H VAL 86 HN VAL 86 2.714 -3.413 15.298 628 HA VAL 86 HA VAL 86 5.344 -4.158 14.312 629 HB VAL 86 HB VAL 86 5.086 -1.820 13.568 630 1HG1 VAL 86 HG11 VAL 86 4.624 -1.312 16.496 631 2HG1 VAL 86 HG12 VAL 86 3.570 -0.910 15.140 632 3HG1 VAL 86 HG13 VAL 86 5.092 -0.046 15.360 633 1HG2 VAL 86 HG21 VAL 86 7.054 -1.123 15.443 634 2HG2 VAL 86 HG22 VAL 86 7.292 -1.800 13.832 635 3HG2 VAL 86 HG23 VAL 86 7.178 -2.869 15.229 636 H HIS 87 HN HIS 87 3.116 -3.522 16.816 637 HA HIS 87 HA HIS 87 4.770 -3.284 19.052 638 1HB HIS 87 HB2 HIS 87 2.837 -4.110 20.347 639 2HB HIS 87 HB1 HIS 87 2.368 -2.887 19.170 640 HD1 HIS 87 HD1 HIS 87 2.579 -6.698 19.181 641 HD2 HIS 87 HD2 HIS 87 0.110 -3.613 17.892 642 HE1 HIS 87 HE1 HIS 87 0.602 -7.822 18.107 643 HE2 HIS 87 HE2 HIS 87 -0.901 -5.937 17.374 Start of MODEL 7 1 1H HIS 1 HT1 HIS 1 -18.844 -1.939 -11.056 2 2H HIS 1 HT2 HIS 1 -19.906 -0.700 -11.499 3 3H HIS 1 HT3 HIS 1 -19.716 -2.050 -12.502 4 HA HIS 1 HA HIS 1 -21.766 -1.851 -10.934 5 1HB HIS 1 HB2 HIS 1 -21.177 -3.717 -12.468 6 2HB HIS 1 HB1 HIS 1 -20.141 -4.393 -11.216 7 HD1 HIS 1 HD1 HIS 1 -23.792 -3.292 -11.376 8 HD2 HIS 1 HD2 HIS 1 -21.422 -6.381 -9.926 9 HE1 HIS 1 HE1 HIS 1 -25.385 -4.911 -10.297 10 HE2 HIS 1 HE2 HIS 1 -23.938 -6.820 -9.517 11 H SER 2 HN SER 2 -18.671 -1.938 -9.609 12 HA SER 2 HA SER 2 -19.775 -2.506 -6.937 13 1HB SER 2 HB2 SER 2 -17.545 -3.388 -6.303 14 2HB SER 2 HB1 SER 2 -18.292 -4.327 -7.595 15 HG SER 2 HG SER 2 -16.111 -3.883 -8.060 16 H SER 3 HN SER 3 -20.164 -0.329 -6.508 17 HA SER 3 HA SER 3 -17.798 1.416 -6.408 18 1HB SER 3 HB2 SER 3 -19.642 2.296 -7.764 19 2HB SER 3 HB1 SER 3 -20.736 2.149 -6.389 20 HG SER 3 HG SER 3 -18.492 3.859 -6.648 21 H GLY 4 HN GLY 4 -19.302 -0.639 -4.464 22 1HA GLY 4 HA2 GLY 4 -18.824 -0.822 -2.152 23 2HA GLY 4 HA1 GLY 4 -18.625 0.923 -2.081 24 H HIS 5 HN HIS 5 -20.703 -1.677 -1.510 25 HA HIS 5 HA HIS 5 -22.655 -0.036 -0.271 26 1HB HIS 5 HB2 HIS 5 -24.579 -0.749 -1.732 27 2HB HIS 5 HB1 HIS 5 -23.484 0.423 -2.464 28 HD1 HIS 5 HD1 HIS 5 -21.439 -0.996 -3.884 29 HD2 HIS 5 HD2 HIS 5 -25.229 -2.659 -3.512 30 HE1 HIS 5 HE1 HIS 5 -21.616 -2.687 -5.737 31 HE2 HIS 5 HE2 HIS 5 -23.942 -3.634 -5.534 32 H ILE 6 HN ILE 6 -24.219 -1.216 0.873 33 HA ILE 6 HA ILE 6 -23.504 -4.022 1.274 34 HB ILE 6 HB ILE 6 -23.884 -1.910 3.051 35 1HG1 ILE 6 HG12 ILE 6 -22.450 -3.840 3.402 36 2HG1 ILE 6 HG11 ILE 6 -23.508 -3.599 4.786 37 1HG2 ILE 6 HG21 ILE 6 -26.363 -2.328 2.716 38 2HG2 ILE 6 HG22 ILE 6 -25.767 -2.298 4.375 39 3HG2 ILE 6 HG23 ILE 6 -26.112 -3.839 3.590 40 1HD1 ILE 6 HD11 ILE 6 -24.331 -5.504 2.655 41 2HD1 ILE 6 HD12 ILE 6 -24.691 -5.514 4.381 42 3HD1 ILE 6 HD13 ILE 6 -23.089 -5.982 3.812 43 H ASP 7 HN ASP 7 -25.689 -5.119 2.295 44 HA ASP 7 HA ASP 7 -27.271 -6.025 0.352 45 1HB ASP 7 HB2 ASP 7 -27.466 -6.815 2.635 46 2HB ASP 7 HB1 ASP 7 -28.159 -5.275 3.138 47 H ASP 8 HN ASP 8 -27.870 -3.010 2.119 48 HA ASP 8 HA ASP 8 -30.079 -2.353 0.337 49 1HB ASP 8 HB2 ASP 8 -30.352 -1.932 2.748 50 2HB ASP 8 HB1 ASP 8 -28.964 -0.848 2.718 51 H ASP 9 HN ASP 9 -28.267 0.317 1.519 52 HA ASP 9 HA ASP 9 -26.381 0.623 -0.540 53 1HB ASP 9 HB2 ASP 9 -28.335 0.832 -2.000 54 2HB ASP 9 HB1 ASP 9 -28.976 2.117 -0.980 55 H ASP 10 HN ASP 10 -28.466 2.041 1.857 56 HA ASP 10 HA ASP 10 -26.700 4.350 2.158 57 1HB ASP 10 HB2 ASP 10 -29.371 3.734 3.429 58 2HB ASP 10 HB1 ASP 10 -28.453 5.217 3.673 59 H LYS 11 HN LYS 11 -27.138 1.277 3.537 60 HA LYS 11 HA LYS 11 -26.428 1.972 6.224 61 1HB LYS 11 HB2 LYS 11 -26.270 -0.728 4.881 62 2HB LYS 11 HB1 LYS 11 -26.283 -0.419 6.613 63 1HG LYS 11 HG2 LYS 11 -28.582 0.718 6.073 64 2HG LYS 11 HG1 LYS 11 -28.505 -0.304 4.638 65 1HD LYS 11 HD2 LYS 11 -28.329 -1.262 7.495 66 2HD LYS 11 HD1 LYS 11 -29.747 -1.381 6.455 67 1HE LYS 11 HE2 LYS 11 -28.769 -3.500 6.342 68 2HE LYS 11 HE1 LYS 11 -28.243 -2.700 4.862 69 1HZ LYS 11 HZ1 LYS 11 -26.106 -2.372 5.726 70 2HZ LYS 11 HZ2 LYS 11 -26.498 -3.957 6.164 71 3HZ LYS 11 HZ3 LYS 11 -26.582 -2.717 7.312 72 H HIS 12 HN HIS 12 -24.754 1.282 3.298 73 HA HIS 12 HA HIS 12 -22.212 0.832 4.655 74 1HB HIS 12 HB2 HIS 12 -22.740 -0.511 2.666 75 2HB HIS 12 HB1 HIS 12 -22.852 0.957 1.701 76 HD1 HIS 12 HD1 HIS 12 -20.201 -0.578 3.977 77 HD2 HIS 12 HD2 HIS 12 -20.576 1.355 0.318 78 HE1 HIS 12 HE1 HIS 12 -17.871 -0.455 3.041 79 HE2 HIS 12 HE2 HIS 12 -18.109 0.816 0.879 80 H MET 13 HN MET 13 -23.976 3.395 3.173 81 HA MET 13 HA MET 13 -21.914 5.093 2.364 82 1HB MET 13 HB2 MET 13 -24.634 5.797 3.478 83 2HB MET 13 HB1 MET 13 -23.565 6.924 2.653 84 1HG MET 13 HG2 MET 13 -24.770 4.438 1.459 85 2HG MET 13 HG1 MET 13 -25.307 6.093 1.173 86 1HE MET 13 HE1 MET 13 -24.964 5.722 -1.632 87 2HE MET 13 HE2 MET 13 -24.748 4.081 -1.024 88 3HE MET 13 HE3 MET 13 -23.585 4.759 -2.162 89 H ALA 14 HN ALA 14 -23.059 4.289 5.530 90 HA ALA 14 HA ALA 14 -22.120 6.532 6.951 91 1HB ALA 14 HB1 ALA 14 -22.563 5.335 8.880 92 2HB ALA 14 HB2 ALA 14 -22.112 3.793 8.152 93 3HB ALA 14 HB3 ALA 14 -23.637 4.563 7.713 94 H GLU 15 HN GLU 15 -20.528 3.748 5.634 95 HA GLU 15 HA GLU 15 -17.955 4.803 6.576 96 1HB GLU 15 HB2 GLU 15 -18.766 1.889 6.575 97 2HB GLU 15 HB1 GLU 15 -17.151 2.489 6.925 98 1HG GLU 15 HG2 GLU 15 -19.623 3.128 8.518 99 2HG GLU 15 HG1 GLU 15 -18.412 1.921 8.950 100 H ARG 16 HN ARG 16 -19.264 5.168 4.060 101 HA ARG 16 HA ARG 16 -18.252 3.374 2.105 102 1HB ARG 16 HB2 ARG 16 -18.946 5.093 0.481 103 2HB ARG 16 HB1 ARG 16 -20.208 4.739 1.651 104 1HG ARG 16 HG2 ARG 16 -19.594 6.762 2.902 105 2HG ARG 16 HG1 ARG 16 -18.370 7.124 1.683 106 1HD ARG 16 HD2 ARG 16 -21.333 6.874 1.171 107 2HD ARG 16 HD1 ARG 16 -20.449 8.391 1.327 108 HE ARG 16 HE ARG 16 -20.650 6.793 -0.993 109 1HH1 ARG 16 HH11 ARG 16 -18.379 8.761 0.778 110 2HH1 ARG 16 HH12 ARG 16 -17.419 9.130 -0.615 111 1HH2 ARG 16 HH21 ARG 16 -19.392 7.277 -2.829 112 2HH2 ARG 16 HH22 ARG 16 -17.994 8.287 -2.664 113 H LEU 17 HN LEU 17 -16.778 5.841 3.911 114 HA LEU 17 HA LEU 17 -14.922 6.895 2.099 115 1HB LEU 17 HB2 LEU 17 -15.481 7.458 4.622 116 2HB LEU 17 HB1 LEU 17 -14.143 6.372 4.938 117 HG LEU 17 HG LEU 17 -13.381 8.673 4.954 118 1HD1 LEU 17 HD11 LEU 17 -12.223 7.878 2.380 119 2HD1 LEU 17 HD12 LEU 17 -12.161 6.645 3.640 120 3HD1 LEU 17 HD13 LEU 17 -11.443 8.231 3.922 121 1HD2 LEU 17 HD21 LEU 17 -15.216 9.416 3.347 122 2HD2 LEU 17 HD22 LEU 17 -14.123 8.914 2.058 123 3HD2 LEU 17 HD23 LEU 17 -13.636 10.180 3.184 124 H SER 18 HN SER 18 -13.101 6.099 1.192 125 HA SER 18 HA SER 18 -12.159 3.468 2.129 126 1HB SER 18 HB2 SER 18 -12.192 4.537 -0.702 127 2HB SER 18 HB1 SER 18 -11.519 2.984 -0.208 128 HG SER 18 HG SER 18 -13.459 2.184 -0.173 129 H GLU 19 HN GLU 19 -10.549 4.282 3.464 130 HA GLU 19 HA GLU 19 -8.539 6.079 2.394 131 1HB GLU 19 HB2 GLU 19 -8.742 4.673 5.064 132 2HB GLU 19 HB1 GLU 19 -7.505 5.848 4.641 133 1HG GLU 19 HG2 GLU 19 -9.217 7.559 4.362 134 2HG GLU 19 HG1 GLU 19 -10.464 6.382 4.766 135 H GLU 20 HN GLU 20 -9.122 2.802 2.308 136 HA GLU 20 HA GLU 20 -6.512 1.749 2.643 137 1HB GLU 20 HB2 GLU 20 -8.872 0.626 1.127 138 2HB GLU 20 HB1 GLU 20 -7.434 -0.275 1.587 139 1HG GLU 20 HG2 GLU 20 -7.957 0.045 3.934 140 2HG GLU 20 HG1 GLU 20 -9.369 1.008 3.503 141 H GLU 21 HN GLU 21 -7.968 3.491 0.083 142 HA GLU 21 HA GLU 21 -5.795 2.649 -1.722 143 1HB GLU 21 HB2 GLU 21 -7.984 1.945 -2.551 144 2HB GLU 21 HB1 GLU 21 -8.568 3.600 -2.454 145 1HG GLU 21 HG2 GLU 21 -6.935 4.273 -4.146 146 2HG GLU 21 HG1 GLU 21 -6.362 2.608 -4.246 147 H ILE 22 HN ILE 22 -8.093 5.366 -1.630 148 HA ILE 22 HA ILE 22 -6.121 7.198 -2.594 149 HB ILE 22 HB ILE 22 -8.495 7.429 -3.178 150 1HG1 ILE 22 HG12 ILE 22 -7.448 9.786 -1.591 151 2HG1 ILE 22 HG11 ILE 22 -7.003 9.401 -3.250 152 1HG2 ILE 22 HG21 ILE 22 -8.940 8.287 -0.326 153 2HG2 ILE 22 HG22 ILE 22 -9.360 6.695 -0.960 154 3HG2 ILE 22 HG23 ILE 22 -10.147 8.137 -1.603 155 1HD1 ILE 22 HD11 ILE 22 -9.029 10.069 -4.089 156 2HD1 ILE 22 HD12 ILE 22 -8.818 11.195 -2.749 157 3HD1 ILE 22 HD13 ILE 22 -9.874 9.794 -2.566 158 H GLY 23 HN GLY 23 -6.876 6.040 0.503 159 1HA GLY 23 HA2 GLY 23 -5.998 8.486 1.846 160 2HA GLY 23 HA1 GLY 23 -6.653 7.056 2.625 161 H GLY 24 HN GLY 24 -4.507 5.806 0.541 162 1HA GLY 24 HA2 GLY 24 -2.470 5.629 2.634 163 2HA GLY 24 HA1 GLY 24 -2.625 4.563 1.249 164 H LEU 25 HN LEU 25 -2.510 6.090 -0.901 165 HA LEU 25 HA LEU 25 0.194 6.721 -1.166 166 1HB LEU 25 HB2 LEU 25 -0.295 7.457 -3.353 167 2HB LEU 25 HB1 LEU 25 -1.400 6.141 -3.013 168 HG LEU 25 HG LEU 25 -2.109 9.076 -2.913 169 1HD1 LEU 25 HD11 LEU 25 -1.692 8.370 -5.184 170 2HD1 LEU 25 HD12 LEU 25 -3.426 8.572 -4.933 171 3HD1 LEU 25 HD13 LEU 25 -2.723 6.955 -4.965 172 1HD2 LEU 25 HD21 LEU 25 -3.932 8.465 -1.811 173 2HD2 LEU 25 HD22 LEU 25 -3.388 6.788 -1.804 174 3HD2 LEU 25 HD23 LEU 25 -4.368 7.391 -3.140 175 H LYS 26 HN LYS 26 -2.184 8.521 0.359 176 HA LYS 26 HA LYS 26 -1.312 11.135 -0.367 177 1HB LYS 26 HB2 LYS 26 -3.574 10.738 0.435 178 2HB LYS 26 HB1 LYS 26 -2.950 10.189 1.985 179 1HG LYS 26 HG2 LYS 26 -2.122 12.391 2.488 180 2HG LYS 26 HG1 LYS 26 -2.580 12.967 0.884 181 1HD LYS 26 HD2 LYS 26 -4.510 11.910 2.950 182 2HD LYS 26 HD1 LYS 26 -4.185 13.620 2.662 183 1HE LYS 26 HE2 LYS 26 -4.959 13.368 0.349 184 2HE LYS 26 HE1 LYS 26 -5.295 11.663 0.650 185 1HZ LYS 26 HZ1 LYS 26 -7.227 12.166 1.594 186 2HZ LYS 26 HZ2 LYS 26 -7.035 13.737 0.997 187 3HZ LYS 26 HZ3 LYS 26 -6.545 13.367 2.573 188 H GLU 27 HN GLU 27 -1.139 9.570 2.848 189 HA GLU 27 HA GLU 27 1.070 11.323 3.538 190 1HB GLU 27 HB2 GLU 27 -0.756 10.949 5.134 191 2HB GLU 27 HB1 GLU 27 -0.355 9.236 5.184 192 1HG GLU 27 HG2 GLU 27 1.827 9.763 6.126 193 2HG GLU 27 HG1 GLU 27 1.448 11.483 6.057 194 H LEU 28 HN LEU 28 0.570 7.850 4.073 195 HA LEU 28 HA LEU 28 3.107 7.105 4.660 196 1HB LEU 28 HB2 LEU 28 0.994 5.584 3.161 197 2HB LEU 28 HB1 LEU 28 2.506 4.851 3.657 198 HG LEU 28 HG LEU 28 0.826 4.261 5.254 199 1HD1 LEU 28 HD11 LEU 28 2.545 6.430 6.444 200 2HD1 LEU 28 HD12 LEU 28 3.068 4.777 6.123 201 3HD1 LEU 28 HD13 LEU 28 1.795 5.085 7.304 202 1HD2 LEU 28 HD21 LEU 28 0.307 7.041 6.130 203 2HD2 LEU 28 HD22 LEU 28 -0.750 5.629 6.137 204 3HD2 LEU 28 HD23 LEU 28 -0.464 6.509 4.636 205 H PHE 29 HN PHE 29 1.793 6.787 1.344 206 HA PHE 29 HA PHE 29 4.240 6.050 0.201 207 1HB PHE 29 HB2 PHE 29 1.806 7.309 -1.049 208 2HB PHE 29 HB1 PHE 29 3.189 6.737 -1.978 209 HD1 PHE 29 HD1 PHE 29 2.950 4.676 -2.924 210 HD2 PHE 29 HD2 PHE 29 1.031 5.473 0.783 211 HE1 PHE 29 HE1 PHE 29 2.017 2.407 -2.923 212 HE2 PHE 29 HE2 PHE 29 0.094 3.214 0.793 213 HZ PHE 29 HZ PHE 29 0.581 1.663 -1.062 214 H LYS 30 HN LYS 30 2.642 9.223 -0.165 215 HA LYS 30 HA LYS 30 4.643 10.550 -1.471 216 1HB LYS 30 HB2 LYS 30 2.804 11.611 0.671 217 2HB LYS 30 HB1 LYS 30 3.858 12.641 -0.287 218 1HG LYS 30 HG2 LYS 30 2.735 11.795 -2.334 219 2HG LYS 30 HG1 LYS 30 1.613 10.910 -1.299 220 1HD LYS 30 HD2 LYS 30 0.606 12.998 -1.990 221 2HD LYS 30 HD1 LYS 30 0.938 13.045 -0.257 222 1HE LYS 30 HE2 LYS 30 1.552 15.152 -1.297 223 2HE LYS 30 HE1 LYS 30 2.985 14.322 -0.693 224 1HZ LYS 30 HZ1 LYS 30 2.075 14.549 -3.504 225 2HZ LYS 30 HZ2 LYS 30 3.280 13.467 -3.017 226 3HZ LYS 30 HZ3 LYS 30 3.513 15.132 -2.829 227 H MET 31 HN MET 31 4.664 9.508 1.831 228 HA MET 31 HA MET 31 6.993 11.120 2.493 229 1HB MET 31 HB2 MET 31 5.264 10.809 4.194 230 2HB MET 31 HB1 MET 31 5.477 9.066 4.112 231 1HG MET 31 HG2 MET 31 7.754 9.295 4.947 232 2HG MET 31 HG1 MET 31 7.558 11.045 5.013 233 1HE MET 31 HE1 MET 31 5.412 11.899 7.750 234 2HE MET 31 HE2 MET 31 4.259 11.056 6.716 235 3HE MET 31 HE3 MET 31 5.529 12.046 5.997 236 H ILE 32 HN ILE 32 6.167 7.774 1.773 237 HA ILE 32 HA ILE 32 8.920 6.907 2.227 238 HB ILE 32 HB ILE 32 6.468 5.318 1.455 239 1HG1 ILE 32 HG12 ILE 32 7.983 5.480 4.072 240 2HG1 ILE 32 HG11 ILE 32 6.418 6.221 3.753 241 1HG2 ILE 32 HG21 ILE 32 7.808 3.636 0.917 242 2HG2 ILE 32 HG22 ILE 32 8.549 3.699 2.517 243 3HG2 ILE 32 HG23 ILE 32 9.213 4.664 1.198 244 1HD1 ILE 32 HD11 ILE 32 5.783 3.727 3.140 245 2HD1 ILE 32 HD12 ILE 32 5.732 4.330 4.796 246 3HD1 ILE 32 HD13 ILE 32 7.116 3.387 4.242 247 H ASP 33 HN ASP 33 6.512 6.339 -0.323 248 HA ASP 33 HA ASP 33 8.107 5.500 -2.356 249 1HB ASP 33 HB2 ASP 33 5.648 5.655 -2.482 250 2HB ASP 33 HB1 ASP 33 5.769 7.407 -2.608 251 H THR 34 HN THR 34 9.982 6.343 -3.014 252 HA THR 34 HA THR 34 10.729 9.044 -2.750 253 HB THR 34 HB THR 34 11.844 6.968 -4.654 254 HG1 THR 34 HG1 THR 34 11.791 6.862 -2.081 255 1HG2 THR 34 HG21 THR 34 12.941 9.569 -3.655 256 2HG2 THR 34 HG22 THR 34 12.817 8.982 -5.313 257 3HG2 THR 34 HG23 THR 34 13.988 8.262 -4.208 258 H ASP 35 HN ASP 35 8.577 7.573 -4.822 259 HA ASP 35 HA ASP 35 8.926 9.518 -6.968 260 1HB ASP 35 HB2 ASP 35 8.660 7.079 -7.505 261 2HB ASP 35 HB1 ASP 35 7.021 7.186 -6.875 262 H ASN 36 HN ASN 36 6.873 8.797 -4.264 263 HA ASN 36 HA ASN 36 4.956 9.784 -3.503 264 1HB ASN 36 HB2 ASN 36 6.015 12.128 -5.109 265 2HB ASN 36 HB1 ASN 36 4.779 12.220 -3.859 266 1HD2 ASN 36 HD21 ASN 36 5.550 13.079 -2.092 267 2HD2 ASN 36 HD22 ASN 36 7.116 12.804 -1.416 268 H SER 37 HN SER 37 5.102 8.494 -6.279 269 HA SER 37 HA SER 37 3.059 9.889 -7.780 270 1HB SER 37 HB2 SER 37 3.241 7.984 -9.346 271 2HB SER 37 HB1 SER 37 4.825 8.664 -8.973 272 HG SER 37 HG SER 37 5.382 6.843 -8.080 273 H GLY 38 HN GLY 38 3.227 7.729 -5.240 274 1HA GLY 38 HA2 GLY 38 1.222 7.217 -3.992 275 2HA GLY 38 HA1 GLY 38 0.341 7.151 -5.512 276 H THR 39 HN THR 39 3.340 5.699 -5.768 277 HA THR 39 HA THR 39 2.384 3.054 -4.970 278 HB THR 39 HB THR 39 3.338 3.822 -7.730 279 HG1 THR 39 HG1 THR 39 0.967 3.702 -6.786 280 1HG2 THR 39 HG21 THR 39 3.030 1.094 -6.534 281 2HG2 THR 39 HG22 THR 39 4.439 1.789 -7.336 282 3HG2 THR 39 HG23 THR 39 2.995 1.399 -8.270 283 H ILE 40 HN ILE 40 3.958 1.883 -4.008 284 HA ILE 40 HA ILE 40 6.682 2.982 -4.151 285 HB ILE 40 HB ILE 40 5.374 1.233 -2.062 286 1HG1 ILE 40 HG12 ILE 40 6.555 4.006 -1.849 287 2HG1 ILE 40 HG11 ILE 40 4.837 3.682 -2.069 288 1HG2 ILE 40 HG21 ILE 40 8.205 1.713 -2.663 289 2HG2 ILE 40 HG22 ILE 40 7.442 0.418 -1.741 290 3HG2 ILE 40 HG23 ILE 40 7.753 1.977 -0.979 291 1HD1 ILE 40 HD11 ILE 40 5.191 4.106 0.231 292 2HD1 ILE 40 HD12 ILE 40 6.555 2.990 0.296 293 3HD1 ILE 40 HD13 ILE 40 4.919 2.371 0.067 294 H THR 41 HN THR 41 8.151 1.901 -5.292 295 HA THR 41 HA THR 41 7.701 -0.969 -5.792 296 HB THR 41 HB THR 41 9.037 -0.685 -7.831 297 HG1 THR 41 HG1 THR 41 9.377 1.883 -6.781 298 1HG2 THR 41 HG21 THR 41 7.582 1.098 -8.997 299 2HG2 THR 41 HG22 THR 41 6.684 1.115 -7.479 300 3HG2 THR 41 HG23 THR 41 6.825 -0.380 -8.404 301 H PHE 42 HN PHE 42 9.272 -2.392 -5.257 302 HA PHE 42 HA PHE 42 11.010 -2.187 -3.282 303 1HB PHE 42 HB2 PHE 42 10.546 -4.271 -4.474 304 2HB PHE 42 HB1 PHE 42 11.500 -3.715 -5.844 305 HD1 PHE 42 HD1 PHE 42 12.086 -3.763 -2.165 306 HD2 PHE 42 HD2 PHE 42 13.418 -4.936 -6.029 307 HE1 PHE 42 HE1 PHE 42 14.091 -4.759 -1.166 308 HE2 PHE 42 HE2 PHE 42 15.427 -5.937 -5.038 309 HZ PHE 42 HZ PHE 42 15.772 -5.853 -2.599 310 H ASP 43 HN ASP 43 11.922 -1.503 -6.666 311 HA ASP 43 HA ASP 43 14.580 -0.889 -6.350 312 1HB ASP 43 HB2 ASP 43 13.465 -0.921 -8.536 313 2HB ASP 43 HB1 ASP 43 12.581 0.544 -8.118 314 H GLU 44 HN GLU 44 11.794 1.205 -5.829 315 HA GLU 44 HA GLU 44 13.402 3.431 -4.936 316 1HB GLU 44 HB2 GLU 44 10.412 3.082 -4.693 317 2HB GLU 44 HB1 GLU 44 11.317 4.588 -4.647 318 1HG GLU 44 HG2 GLU 44 11.963 4.219 -7.001 319 2HG GLU 44 HG1 GLU 44 10.946 2.784 -7.024 320 H LEU 45 HN LEU 45 11.450 0.873 -3.531 321 HA LEU 45 HA LEU 45 11.075 1.712 -0.973 322 1HB LEU 45 HB2 LEU 45 10.249 -0.419 -1.906 323 2HB LEU 45 HB1 LEU 45 11.869 -1.079 -1.765 324 HG LEU 45 HG LEU 45 11.767 -0.725 0.692 325 1HD1 LEU 45 HD11 LEU 45 8.888 -0.501 0.840 326 2HD1 LEU 45 HD12 LEU 45 9.618 0.913 0.079 327 3HD1 LEU 45 HD13 LEU 45 10.138 0.410 1.688 328 1HD2 LEU 45 HD21 LEU 45 10.330 -2.595 1.164 329 2HD2 LEU 45 HD22 LEU 45 11.183 -2.887 -0.351 330 3HD2 LEU 45 HD23 LEU 45 9.492 -2.386 -0.373 331 H LYS 46 HN LYS 46 13.880 -0.128 -2.145 332 HA LYS 46 HA LYS 46 15.384 -0.238 0.148 333 1HB LYS 46 HB2 LYS 46 16.392 0.145 -2.677 334 2HB LYS 46 HB1 LYS 46 17.364 -0.404 -1.318 335 1HG LYS 46 HG2 LYS 46 15.890 -2.369 -1.106 336 2HG LYS 46 HG1 LYS 46 15.014 -1.833 -2.538 337 1HD LYS 46 HD2 LYS 46 16.572 -3.483 -3.251 338 2HD LYS 46 HD1 LYS 46 17.192 -1.922 -3.787 339 1HE LYS 46 HE2 LYS 46 18.079 -3.339 -1.277 340 2HE LYS 46 HE1 LYS 46 18.922 -3.435 -2.821 341 1HZ LYS 46 HZ1 LYS 46 20.055 -1.757 -1.794 342 2HZ LYS 46 HZ2 LYS 46 18.703 -1.177 -0.961 343 3HZ LYS 46 HZ3 LYS 46 18.882 -0.852 -2.611 344 H ASP 47 HN ASP 47 15.380 2.342 -2.296 345 HA ASP 47 HA ASP 47 17.363 3.972 -1.319 346 1HB ASP 47 HB2 ASP 47 16.170 4.357 -3.432 347 2HB ASP 47 HB1 ASP 47 14.732 4.835 -2.538 348 H GLY 48 HN GLY 48 14.414 3.206 0.188 349 1HA GLY 48 HA2 GLY 48 14.042 5.570 1.734 350 2HA GLY 48 HA1 GLY 48 13.339 3.992 2.068 351 H LEU 49 HN LEU 49 15.333 2.364 2.577 352 HA LEU 49 HA LEU 49 16.492 3.458 5.016 353 1HB LEU 49 HB2 LEU 49 16.538 0.642 3.919 354 2HB LEU 49 HB1 LEU 49 17.116 1.130 5.500 355 HG LEU 49 HG LEU 49 14.248 1.254 4.560 356 1HD1 LEU 49 HD11 LEU 49 15.830 -0.728 6.102 357 2HD1 LEU 49 HD12 LEU 49 14.504 -0.973 4.965 358 3HD1 LEU 49 HD13 LEU 49 14.168 -0.421 6.606 359 1HD2 LEU 49 HD21 LEU 49 15.261 1.703 7.352 360 2HD2 LEU 49 HD22 LEU 49 13.659 2.038 6.695 361 3HD2 LEU 49 HD23 LEU 49 15.037 3.026 6.208 362 H LYS 50 HN LYS 50 17.312 2.957 1.798 363 HA LYS 50 HA LYS 50 20.137 2.541 2.240 364 1HB LYS 50 HB2 LYS 50 19.007 1.475 0.329 365 2HB LYS 50 HB1 LYS 50 18.630 3.063 -0.323 366 1HG LYS 50 HG2 LYS 50 20.998 3.534 -0.600 367 2HG LYS 50 HG1 LYS 50 21.402 1.965 0.101 368 1HD LYS 50 HD2 LYS 50 20.214 0.852 -1.734 369 2HD LYS 50 HD1 LYS 50 19.837 2.425 -2.438 370 1HE LYS 50 HE2 LYS 50 22.226 2.878 -2.703 371 2HE LYS 50 HE1 LYS 50 22.605 1.312 -1.987 372 1HZ LYS 50 HZ1 LYS 50 22.731 1.051 -4.313 373 2HZ LYS 50 HZ2 LYS 50 21.258 1.840 -4.573 374 3HZ LYS 50 HZ3 LYS 50 21.281 0.313 -3.847 375 H ARG 51 HN ARG 51 17.957 5.146 1.822 376 HA ARG 51 HA ARG 51 19.357 7.155 0.631 377 1HB ARG 51 HB2 ARG 51 17.063 7.366 1.541 378 2HB ARG 51 HB1 ARG 51 17.729 7.430 3.166 379 1HG ARG 51 HG2 ARG 51 17.180 9.650 2.424 380 2HG ARG 51 HG1 ARG 51 18.932 9.493 2.564 381 1HD ARG 51 HD2 ARG 51 19.100 9.153 0.152 382 2HD ARG 51 HD1 ARG 51 17.348 9.279 0.005 383 HE ARG 51 HE ARG 51 18.294 11.599 1.247 384 1HH1 ARG 51 HH11 ARG 51 18.463 9.996 -1.843 385 2HH1 ARG 51 HH12 ARG 51 18.644 11.466 -2.740 386 1HH2 ARG 51 HH21 ARG 51 18.529 13.540 0.072 387 2HH2 ARG 51 HH22 ARG 51 18.682 13.480 -1.652 388 H VAL 52 HN VAL 52 19.895 5.801 3.815 389 HA VAL 52 HA VAL 52 22.077 7.717 4.273 390 HB VAL 52 HB VAL 52 22.043 6.949 6.619 391 1HG1 VAL 52 HG11 VAL 52 19.328 7.830 5.649 392 2HG1 VAL 52 HG12 VAL 52 20.714 8.895 5.885 393 3HG1 VAL 52 HG13 VAL 52 19.998 8.060 7.264 394 1HG2 VAL 52 HG21 VAL 52 20.814 4.718 5.715 395 2HG2 VAL 52 HG22 VAL 52 19.432 5.619 6.337 396 3HG2 VAL 52 HG23 VAL 52 20.790 5.244 7.398 397 H GLY 53 HN GLY 53 21.334 4.342 3.812 398 1HA GLY 53 HA2 GLY 53 22.668 2.495 3.537 399 2HA GLY 53 HA1 GLY 53 23.900 3.627 3.002 400 H SER 54 HN SER 54 22.372 3.108 6.179 401 HA SER 54 HA SER 54 24.875 3.368 7.528 402 1HB SER 54 HB2 SER 54 22.783 4.070 8.594 403 2HB SER 54 HB1 SER 54 22.194 2.408 8.557 404 HG SER 54 HG SER 54 23.512 1.883 10.157 405 H GLU 55 HN GLU 55 22.666 0.688 8.145 406 HA GLU 55 HA GLU 55 24.687 -1.254 7.342 407 1HB GLU 55 HB2 GLU 55 24.601 -2.422 9.498 408 2HB GLU 55 HB1 GLU 55 25.226 -0.788 9.683 409 1HG GLU 55 HG2 GLU 55 23.054 -0.039 10.496 410 2HG GLU 55 HG1 GLU 55 22.411 -1.668 10.290 411 H LEU 56 HN LEU 56 21.910 -0.373 6.606 412 HA LEU 56 HA LEU 56 19.978 -2.217 7.358 413 1HB LEU 56 HB2 LEU 56 18.808 -1.682 5.295 414 2HB LEU 56 HB1 LEU 56 19.412 -0.230 6.079 415 HG LEU 56 HG LEU 56 20.824 -1.566 3.767 416 1HD1 LEU 56 HD11 LEU 56 19.551 0.905 3.078 417 2HD1 LEU 56 HD12 LEU 56 18.353 -0.233 3.696 418 3HD1 LEU 56 HD13 LEU 56 19.379 -0.685 2.334 419 1HD2 LEU 56 HD21 LEU 56 22.420 -0.169 4.540 420 2HD2 LEU 56 HD22 LEU 56 21.267 0.844 5.409 421 3HD2 LEU 56 HD23 LEU 56 21.479 1.042 3.670 422 H MET 57 HN MET 57 18.978 -3.869 6.007 423 HA MET 57 HA MET 57 20.952 -5.432 4.499 424 1HB MET 57 HB2 MET 57 19.904 -7.490 5.416 425 2HB MET 57 HB1 MET 57 20.698 -6.514 6.643 426 1HG MET 57 HG2 MET 57 18.529 -5.612 7.322 427 2HG MET 57 HG1 MET 57 17.740 -6.607 6.100 428 1HE MET 57 HE1 MET 57 20.798 -7.987 8.509 429 2HE MET 57 HE2 MET 57 19.777 -8.034 9.946 430 3HE MET 57 HE3 MET 57 20.034 -6.510 9.097 431 H GLU 58 HN GLU 58 20.332 -5.798 2.509 432 HA GLU 58 HA GLU 58 17.986 -4.908 1.353 433 1HB GLU 58 HB2 GLU 58 19.757 -7.165 0.400 434 2HB GLU 58 HB1 GLU 58 18.591 -6.295 -0.587 435 1HG GLU 58 HG2 GLU 58 19.852 -4.235 -0.284 436 2HG GLU 58 HG1 GLU 58 21.015 -5.090 0.730 437 H SER 59 HN SER 59 18.317 -7.507 3.424 438 HA SER 59 HA SER 59 16.371 -9.267 2.265 439 1HB SER 59 HB2 SER 59 18.113 -10.156 3.726 440 2HB SER 59 HB1 SER 59 17.519 -9.172 5.064 441 HG SER 59 HG SER 59 16.382 -10.903 5.465 442 H GLU 60 HN GLU 60 16.340 -6.828 4.821 443 HA GLU 60 HA GLU 60 13.637 -7.303 5.572 444 1HB GLU 60 HB2 GLU 60 15.505 -4.992 6.107 445 2HB GLU 60 HB1 GLU 60 13.895 -5.129 6.795 446 1HG GLU 60 HG2 GLU 60 16.165 -7.055 7.222 447 2HG GLU 60 HG1 GLU 60 15.599 -5.844 8.371 448 H ILE 61 HN ILE 61 15.119 -5.667 2.984 449 HA ILE 61 HA ILE 61 12.942 -3.792 2.575 450 HB ILE 61 HB ILE 61 15.160 -4.397 0.630 451 1HG1 ILE 61 HG12 ILE 61 15.163 -2.407 2.915 452 2HG1 ILE 61 HG11 ILE 61 16.140 -3.868 2.830 453 1HG2 ILE 61 HG21 ILE 61 14.592 -1.759 0.431 454 2HG2 ILE 61 HG22 ILE 61 13.015 -2.400 0.888 455 3HG2 ILE 61 HG23 ILE 61 13.832 -3.011 -0.550 456 1HD1 ILE 61 HD11 ILE 61 16.349 -1.771 0.711 457 2HD1 ILE 61 HD12 ILE 61 17.523 -2.997 1.190 458 3HD1 ILE 61 HD13 ILE 61 17.216 -1.613 2.239 459 H LYS 62 HN LYS 62 14.264 -6.672 0.941 460 HA LYS 62 HA LYS 62 12.196 -6.712 -1.029 461 1HB LYS 62 HB2 LYS 62 13.118 -8.928 -1.638 462 2HB LYS 62 HB1 LYS 62 14.340 -7.669 -1.573 463 1HG LYS 62 HG2 LYS 62 15.378 -9.467 -0.561 464 2HG LYS 62 HG1 LYS 62 14.791 -8.530 0.812 465 1HD LYS 62 HD2 LYS 62 14.359 -10.904 1.137 466 2HD LYS 62 HD1 LYS 62 12.845 -10.013 0.983 467 1HE LYS 62 HE2 LYS 62 12.702 -10.691 -1.373 468 2HE LYS 62 HE1 LYS 62 14.201 -11.602 -1.194 469 1HZ LYS 62 HZ1 LYS 62 12.875 -12.723 0.735 470 2HZ LYS 62 HZ2 LYS 62 12.656 -13.231 -0.863 471 3HZ LYS 62 HZ3 LYS 62 11.529 -12.196 -0.144 472 H ASP 63 HN ASP 63 12.625 -8.112 2.132 473 HA ASP 63 HA ASP 63 10.407 -9.939 1.883 474 1HB ASP 63 HB2 ASP 63 12.359 -10.354 3.400 475 2HB ASP 63 HB1 ASP 63 11.826 -9.001 4.390 476 H LEU 64 HN LEU 64 10.885 -6.651 2.594 477 HA LEU 64 HA LEU 64 8.417 -6.305 4.077 478 1HB LEU 64 HB2 LEU 64 10.491 -4.967 4.525 479 2HB LEU 64 HB1 LEU 64 10.295 -4.229 2.946 480 HG LEU 64 HG LEU 64 8.115 -3.297 3.665 481 1HD1 LEU 64 HD11 LEU 64 8.845 -4.701 6.205 482 2HD1 LEU 64 HD12 LEU 64 7.311 -4.689 5.336 483 3HD1 LEU 64 HD13 LEU 64 7.829 -3.259 6.228 484 1HD2 LEU 64 HD21 LEU 64 9.067 -1.620 5.230 485 2HD2 LEU 64 HD22 LEU 64 10.060 -1.898 3.800 486 3HD2 LEU 64 HD23 LEU 64 10.521 -2.611 5.346 487 H MET 65 HN MET 65 9.640 -5.972 0.838 488 HA MET 65 HA MET 65 7.277 -4.574 -0.109 489 1HB MET 65 HB2 MET 65 9.653 -4.141 -0.918 490 2HB MET 65 HB1 MET 65 9.544 -5.674 -1.765 491 1HG MET 65 HG2 MET 65 7.655 -3.376 -2.191 492 2HG MET 65 HG1 MET 65 9.094 -3.672 -3.164 493 1HE MET 65 HE1 MET 65 8.209 -7.318 -4.468 494 2HE MET 65 HE2 MET 65 9.341 -6.570 -3.340 495 3HE MET 65 HE3 MET 65 9.196 -5.951 -4.985 496 H ASP 66 HN ASP 66 8.983 -7.505 -1.190 497 HA ASP 66 HA ASP 66 6.961 -8.565 -2.747 498 1HB ASP 66 HB2 ASP 66 9.303 -9.351 -2.742 499 2HB ASP 66 HB1 ASP 66 9.033 -10.108 -1.176 500 H ALA 67 HN ALA 67 7.798 -9.713 0.531 501 HA ALA 67 HA ALA 67 5.594 -11.394 0.825 502 1HB ALA 67 HB1 ALA 67 6.276 -10.481 3.393 503 2HB ALA 67 HB2 ALA 67 7.763 -10.486 2.444 504 3HB ALA 67 HB3 ALA 67 6.804 -11.959 2.588 505 H ALA 68 HN ALA 68 5.535 -8.047 0.652 506 HA ALA 68 HA ALA 68 3.126 -7.867 2.327 507 1HB ALA 68 HB1 ALA 68 3.498 -5.571 2.561 508 2HB ALA 68 HB2 ALA 68 4.601 -5.520 1.185 509 3HB ALA 68 HB3 ALA 68 5.100 -6.298 2.687 510 H ASP 69 HN ASP 69 4.203 -7.801 -0.947 511 HA ASP 69 HA ASP 69 1.576 -6.784 -1.791 512 1HB ASP 69 HB2 ASP 69 2.516 -5.949 -3.753 513 2HB ASP 69 HB1 ASP 69 3.765 -5.627 -2.557 514 H ILE 70 HN ILE 70 0.233 -8.087 -2.846 515 HA ILE 70 HA ILE 70 0.958 -10.864 -3.137 516 HB ILE 70 HB ILE 70 -1.197 -10.258 -2.159 517 1HG1 ILE 70 HG12 ILE 70 -2.615 -11.777 -3.519 518 2HG1 ILE 70 HG11 ILE 70 -1.419 -11.710 -4.808 519 1HG2 ILE 70 HG21 ILE 70 -2.224 -8.481 -3.040 520 2HG2 ILE 70 HG22 ILE 70 -2.858 -9.606 -4.240 521 3HG2 ILE 70 HG23 ILE 70 -1.409 -8.667 -4.592 522 1HD1 ILE 70 HD11 ILE 70 0.205 -12.810 -3.431 523 2HD1 ILE 70 HD12 ILE 70 -1.288 -13.750 -3.422 524 3HD1 ILE 70 HD13 ILE 70 -0.872 -12.741 -2.036 525 H ASP 71 HN ASP 71 0.412 -8.112 -5.219 526 HA ASP 71 HA ASP 71 -0.113 -9.403 -7.627 527 1HB ASP 71 HB2 ASP 71 1.456 -6.862 -7.145 528 2HB ASP 71 HB1 ASP 71 0.860 -7.388 -8.716 529 H LYS 72 HN LYS 72 2.825 -9.188 -5.807 530 HA LYS 72 HA LYS 72 4.925 -10.023 -6.135 531 1HB LYS 72 HB2 LYS 72 3.511 -11.758 -8.172 532 2HB LYS 72 HB1 LYS 72 5.119 -12.049 -7.524 533 1HG LYS 72 HG2 LYS 72 2.607 -11.982 -5.873 534 2HG LYS 72 HG1 LYS 72 3.351 -13.444 -6.510 535 1HD LYS 72 HD2 LYS 72 4.792 -11.498 -4.719 536 2HD LYS 72 HD1 LYS 72 3.903 -12.895 -4.112 537 1HE LYS 72 HE2 LYS 72 6.227 -13.471 -4.270 538 2HE LYS 72 HE1 LYS 72 5.341 -14.355 -5.510 539 1HZ LYS 72 HZ1 LYS 72 7.571 -13.047 -6.014 540 2HZ LYS 72 HZ2 LYS 72 6.479 -11.784 -6.282 541 3HZ LYS 72 HZ3 LYS 72 6.345 -13.219 -7.168 542 H SER 73 HN SER 73 3.585 -7.960 -7.962 543 HA SER 73 HA SER 73 5.024 -8.137 -10.445 544 1HB SER 73 HB2 SER 73 4.068 -5.896 -10.883 545 2HB SER 73 HB1 SER 73 2.840 -7.053 -10.369 546 HG SER 73 HG SER 73 3.194 -6.153 -8.200 547 H GLY 74 HN GLY 74 5.977 -7.309 -7.374 548 1HA GLY 74 HA2 GLY 74 8.229 -6.694 -6.897 549 2HA GLY 74 HA1 GLY 74 8.301 -5.869 -8.448 550 H THR 75 HN THR 75 5.483 -4.840 -7.598 551 HA THR 75 HA THR 75 6.486 -2.630 -5.926 552 HB THR 75 HB THR 75 5.990 -1.897 -8.212 553 HG1 THR 75 HG1 THR 75 4.766 -0.186 -7.629 554 1HG2 THR 75 HG21 THR 75 4.392 -3.228 -9.162 555 2HG2 THR 75 HG22 THR 75 3.443 -1.802 -8.741 556 3HG2 THR 75 HG23 THR 75 3.381 -3.236 -7.716 557 H ILE 76 HN ILE 76 4.402 -1.425 -4.945 558 HA ILE 76 HA ILE 76 2.291 -3.251 -4.218 559 HB ILE 76 HB ILE 76 4.023 -3.964 -2.660 560 1HG1 ILE 76 HG12 ILE 76 1.832 -2.350 -1.325 561 2HG1 ILE 76 HG11 ILE 76 1.676 -3.995 -1.935 562 1HG2 ILE 76 HG21 ILE 76 5.391 -2.585 -1.557 563 2HG2 ILE 76 HG22 ILE 76 4.070 -1.529 -1.058 564 3HG2 ILE 76 HG23 ILE 76 4.802 -1.333 -2.651 565 1HD1 ILE 76 HD11 ILE 76 2.270 -3.308 0.632 566 2HD1 ILE 76 HD12 ILE 76 3.863 -3.660 -0.037 567 3HD1 ILE 76 HD13 ILE 76 2.589 -4.878 -0.106 568 H ASP 77 HN ASP 77 0.508 -2.295 -3.353 569 HA ASP 77 HA ASP 77 0.621 0.635 -3.030 570 1HB ASP 77 HB2 ASP 77 -1.771 0.650 -3.829 571 2HB ASP 77 HB1 ASP 77 -0.579 0.233 -5.055 572 H TYR 78 HN TYR 78 -1.328 1.452 -1.725 573 HA TYR 78 HA TYR 78 -1.209 0.294 0.843 574 1HB TYR 78 HB2 TYR 78 -1.817 2.733 0.087 575 2HB TYR 78 HB1 TYR 78 -3.457 2.101 0.041 576 HD1 TYR 78 HD1 TYR 78 -0.526 1.940 2.357 577 HD2 TYR 78 HD2 TYR 78 -4.720 2.510 1.927 578 HE1 TYR 78 HE1 TYR 78 -0.717 2.302 4.779 579 HE2 TYR 78 HE2 TYR 78 -4.923 2.873 4.351 580 HH TYR 78 HH TYR 78 -3.811 2.528 6.365 581 H GLY 79 HN GLY 79 -3.656 0.160 -1.694 582 1HA GLY 79 HA2 GLY 79 -5.568 -1.274 -0.123 583 2HA GLY 79 HA1 GLY 79 -5.630 -1.019 -1.859 584 H GLU 80 HN GLU 80 -2.737 -2.230 -1.720 585 HA GLU 80 HA GLU 80 -3.601 -4.887 -2.406 586 1HB GLU 80 HB2 GLU 80 -1.832 -3.717 -3.657 587 2HB GLU 80 HB1 GLU 80 -0.825 -3.709 -2.217 588 1HG GLU 80 HG2 GLU 80 -0.717 -6.129 -2.251 589 2HG GLU 80 HG1 GLU 80 -1.784 -6.170 -3.656 590 H PHE 81 HN PHE 81 -1.325 -3.544 -0.034 591 HA PHE 81 HA PHE 81 -0.677 -5.842 1.334 592 1HB PHE 81 HB2 PHE 81 0.435 -3.733 1.763 593 2HB PHE 81 HB1 PHE 81 -1.050 -3.038 2.402 594 HD1 PHE 81 HD1 PHE 81 0.796 -6.223 3.019 595 HD2 PHE 81 HD2 PHE 81 -0.898 -2.676 4.638 596 HE1 PHE 81 HE1 PHE 81 1.420 -6.969 5.283 597 HE2 PHE 81 HE2 PHE 81 -0.277 -3.410 6.909 598 HZ PHE 81 HZ PHE 81 0.884 -5.559 7.231 599 H ILE 82 HN ILE 82 -3.564 -3.848 1.645 600 HA ILE 82 HA ILE 82 -4.545 -5.404 3.893 601 HB ILE 82 HB ILE 82 -4.961 -2.995 3.866 602 1HG1 ILE 82 HG12 ILE 82 -7.402 -3.044 4.289 603 2HG1 ILE 82 HG11 ILE 82 -7.484 -4.638 3.546 604 1HG2 ILE 82 HG21 ILE 82 -5.280 -3.166 1.227 605 2HG2 ILE 82 HG22 ILE 82 -5.942 -1.840 2.183 606 3HG2 ILE 82 HG23 ILE 82 -6.976 -3.189 1.709 607 1HD1 ILE 82 HD11 ILE 82 -5.533 -4.419 5.712 608 2HD1 ILE 82 HD12 ILE 82 -6.743 -5.660 5.387 609 3HD1 ILE 82 HD13 ILE 82 -7.208 -4.166 6.200 610 H ALA 83 HN ALA 83 -4.853 -5.345 0.455 611 HA ALA 83 HA ALA 83 -7.358 -6.436 0.025 612 1HB ALA 83 HB1 ALA 83 -5.045 -5.973 -1.506 613 2HB ALA 83 HB2 ALA 83 -6.665 -6.369 -2.080 614 3HB ALA 83 HB3 ALA 83 -5.499 -7.656 -1.773 615 H ALA 84 HN ALA 84 -4.502 -7.951 1.302 616 HA ALA 84 HA ALA 84 -5.357 -10.647 0.866 617 1HB ALA 84 HB1 ALA 84 -3.515 -11.223 2.426 618 2HB ALA 84 HB2 ALA 84 -3.249 -9.500 2.690 619 3HB ALA 84 HB3 ALA 84 -3.008 -10.193 1.087 620 H THR 85 HN THR 85 -7.445 -10.809 1.702 621 HA THR 85 HA THR 85 -7.581 -11.408 4.503 622 HB THR 85 HB THR 85 -7.884 -9.004 4.650 623 HG1 THR 85 HG1 THR 85 -9.229 -10.382 5.951 624 1HG2 THR 85 HG21 THR 85 -9.999 -8.022 3.644 625 2HG2 THR 85 HG22 THR 85 -9.989 -9.412 2.559 626 3HG2 THR 85 HG23 THR 85 -8.633 -8.283 2.560 627 H VAL 86 HN VAL 86 -9.576 -12.435 5.104 628 HA VAL 86 HA VAL 86 -11.691 -12.873 3.273 629 HB VAL 86 HB VAL 86 -10.000 -14.242 2.123 630 1HG1 VAL 86 HG11 VAL 86 -8.485 -15.032 3.653 631 2HG1 VAL 86 HG12 VAL 86 -9.479 -16.469 3.412 632 3HG1 VAL 86 HG13 VAL 86 -9.728 -15.453 4.832 633 1HG2 VAL 86 HG21 VAL 86 -11.744 -15.464 1.497 634 2HG2 VAL 86 HG22 VAL 86 -12.573 -15.090 3.009 635 3HG2 VAL 86 HG23 VAL 86 -11.515 -16.497 2.908 636 H HIS 87 HN HIS 87 -13.399 -14.060 4.183 637 HA HIS 87 HA HIS 87 -13.349 -14.183 7.057 638 1HB HIS 87 HB2 HIS 87 -15.520 -14.927 5.085 639 2HB HIS 87 HB1 HIS 87 -15.726 -14.852 6.831 640 HD1 HIS 87 HD1 HIS 87 -17.630 -13.100 5.655 641 HD2 HIS 87 HD2 HIS 87 -13.684 -11.852 6.041 642 HE1 HIS 87 HE1 HIS 87 -17.704 -10.589 5.539 643 HE2 HIS 87 HE2 HIS 87 -15.296 -9.860 5.693 Start of MODEL 8 1 1H HIS 1 HT1 HIS 1 35.972 0.078 -0.969 2 2H HIS 1 HT2 HIS 1 37.590 0.424 -1.321 3 3H HIS 1 HT3 HIS 1 36.779 -0.788 -2.177 4 HA HIS 1 HA HIS 1 37.096 1.744 -3.023 5 1HB HIS 1 HB2 HIS 1 36.491 -0.233 -4.358 6 2HB HIS 1 HB1 HIS 1 34.866 -0.199 -3.680 7 HD1 HIS 1 HD1 HIS 1 37.072 2.332 -5.494 8 HD2 HIS 1 HD2 HIS 1 33.160 0.934 -5.426 9 HE1 HIS 1 HE1 HIS 1 35.864 3.628 -7.279 10 HE2 HIS 1 HE2 HIS 1 33.518 2.709 -7.273 11 H SER 2 HN SER 2 34.125 0.486 -1.517 12 HA SER 2 HA SER 2 32.642 2.873 -1.751 13 1HB SER 2 HB2 SER 2 31.133 1.857 -0.075 14 2HB SER 2 HB1 SER 2 31.560 0.716 -1.351 15 HG SER 2 HG SER 2 33.345 0.175 0.285 16 H SER 3 HN SER 3 31.925 4.264 0.020 17 HA SER 3 HA SER 3 34.181 4.987 1.720 18 1HB SER 3 HB2 SER 3 33.152 6.764 0.387 19 2HB SER 3 HB1 SER 3 31.593 6.450 1.147 20 HG SER 3 HG SER 3 33.164 8.196 1.983 21 H GLY 4 HN GLY 4 31.639 2.972 2.007 22 1HA GLY 4 HA2 GLY 4 31.079 1.833 3.996 23 2HA GLY 4 HA1 GLY 4 31.662 3.209 4.921 24 H HIS 5 HN HIS 5 29.903 4.633 2.639 25 HA HIS 5 HA HIS 5 27.313 4.241 3.959 26 1HB HIS 5 HB2 HIS 5 28.488 6.233 4.935 27 2HB HIS 5 HB1 HIS 5 28.477 6.965 3.335 28 HD1 HIS 5 HD1 HIS 5 25.797 5.388 5.550 29 HD2 HIS 5 HD2 HIS 5 26.455 8.732 3.174 30 HE1 HIS 5 HE1 HIS 5 23.683 6.742 5.695 31 HE2 HIS 5 HE2 HIS 5 24.154 8.819 4.350 32 H ILE 6 HN ILE 6 28.197 3.201 1.499 33 HA ILE 6 HA ILE 6 27.008 4.869 -0.574 34 HB ILE 6 HB ILE 6 28.285 2.139 -0.803 35 1HG1 ILE 6 HG12 ILE 6 29.900 3.830 -0.073 36 2HG1 ILE 6 HG11 ILE 6 30.220 3.344 -1.734 37 1HG2 ILE 6 HG21 ILE 6 28.087 2.282 -3.095 38 2HG2 ILE 6 HG22 ILE 6 27.909 4.036 -3.077 39 3HG2 ILE 6 HG23 ILE 6 26.571 3.009 -2.561 40 1HD1 ILE 6 HD11 ILE 6 28.730 5.443 -2.277 41 2HD1 ILE 6 HD12 ILE 6 30.449 5.601 -1.915 42 3HD1 ILE 6 HD13 ILE 6 29.250 5.937 -0.666 43 H ASP 7 HN ASP 7 24.864 4.814 -0.718 44 HA ASP 7 HA ASP 7 23.335 2.532 0.141 45 1HB ASP 7 HB2 ASP 7 21.379 3.915 -0.536 46 2HB ASP 7 HB1 ASP 7 22.459 4.737 0.587 47 H ASP 8 HN ASP 8 25.081 1.926 -2.012 48 HA ASP 8 HA ASP 8 23.096 1.148 -4.031 49 1HB ASP 8 HB2 ASP 8 25.896 2.143 -4.605 50 2HB ASP 8 HB1 ASP 8 24.790 1.479 -5.804 51 H ASP 9 HN ASP 9 24.433 -0.201 -1.695 52 HA ASP 9 HA ASP 9 24.995 -2.672 -3.051 53 1HB ASP 9 HB2 ASP 9 27.186 -1.520 -3.180 54 2HB ASP 9 HB1 ASP 9 27.204 -1.395 -1.425 55 H ASP 10 HN ASP 10 26.386 -1.823 0.064 56 HA ASP 10 HA ASP 10 24.785 -3.865 1.336 57 1HB ASP 10 HB2 ASP 10 27.021 -2.102 2.329 58 2HB ASP 10 HB1 ASP 10 26.203 -3.292 3.340 59 H LYS 11 HN LYS 11 24.845 -0.426 1.107 60 HA LYS 11 HA LYS 11 23.130 -0.056 3.423 61 1HB LYS 11 HB2 LYS 11 24.151 1.929 1.384 62 2HB LYS 11 HB1 LYS 11 23.241 2.341 2.830 63 1HG LYS 11 HG2 LYS 11 25.948 1.022 2.784 64 2HG LYS 11 HG1 LYS 11 25.638 2.728 3.105 65 1HD LYS 11 HD2 LYS 11 24.506 0.474 4.758 66 2HD LYS 11 HD1 LYS 11 26.004 1.318 5.146 67 1HE LYS 11 HE2 LYS 11 24.247 2.288 6.447 68 2HE LYS 11 HE1 LYS 11 24.709 3.447 5.204 69 1HZ LYS 11 HZ1 LYS 11 22.192 2.748 5.724 70 2HZ LYS 11 HZ2 LYS 11 22.551 1.649 4.489 71 3HZ LYS 11 HZ3 LYS 11 22.714 3.310 4.216 72 H HIS 12 HN HIS 12 22.755 -0.859 0.198 73 HA HIS 12 HA HIS 12 20.262 0.523 -0.258 74 1HB HIS 12 HB2 HIS 12 21.894 -0.073 -2.082 75 2HB HIS 12 HB1 HIS 12 21.448 -1.759 -1.850 76 HD1 HIS 12 HD1 HIS 12 20.848 -1.220 -4.526 77 HD2 HIS 12 HD2 HIS 12 18.271 0.222 -1.603 78 HE1 HIS 12 HE1 HIS 12 18.688 -0.734 -5.715 79 HE2 HIS 12 HE2 HIS 12 17.182 0.243 -3.948 80 H MET 13 HN MET 13 21.306 -2.742 0.590 81 HA MET 13 HA MET 13 18.818 -4.023 0.401 82 1HB MET 13 HB2 MET 13 21.159 -4.641 2.209 83 2HB MET 13 HB1 MET 13 19.797 -5.717 1.928 84 1HG MET 13 HG2 MET 13 20.383 -5.814 -0.451 85 2HG MET 13 HG1 MET 13 21.769 -4.770 -0.139 86 1HE MET 13 HE1 MET 13 23.136 -8.426 -0.890 87 2HE MET 13 HE2 MET 13 23.577 -6.741 -1.169 88 3HE MET 13 HE3 MET 13 21.987 -7.327 -1.654 89 H ALA 14 HN ALA 14 19.798 -1.614 2.526 90 HA ALA 14 HA ALA 14 18.511 -2.382 4.912 91 1HB ALA 14 HB1 ALA 14 19.714 0.046 3.821 92 2HB ALA 14 HB2 ALA 14 19.774 -0.618 5.454 93 3HB ALA 14 HB3 ALA 14 18.389 0.348 4.944 94 H GLU 15 HN GLU 15 17.366 -0.582 2.081 95 HA GLU 15 HA GLU 15 14.667 -0.614 3.242 96 1HB GLU 15 HB2 GLU 15 14.137 1.250 1.759 97 2HB GLU 15 HB1 GLU 15 15.525 1.621 2.771 98 1HG GLU 15 HG2 GLU 15 15.829 0.606 -0.032 99 2HG GLU 15 HG1 GLU 15 15.631 2.317 0.333 100 H ARG 16 HN ARG 16 16.419 -2.447 1.238 101 HA ARG 16 HA ARG 16 14.874 -2.650 -1.104 102 1HB ARG 16 HB2 ARG 16 16.704 -4.579 0.302 103 2HB ARG 16 HB1 ARG 16 15.840 -5.037 -1.159 104 1HG ARG 16 HG2 ARG 16 17.763 -2.733 -0.916 105 2HG ARG 16 HG1 ARG 16 18.122 -4.305 -1.632 106 1HD ARG 16 HD2 ARG 16 16.110 -2.282 -2.610 107 2HD ARG 16 HD1 ARG 16 17.635 -2.715 -3.381 108 HE ARG 16 HE ARG 16 16.100 -5.035 -3.112 109 1HH1 ARG 16 HH11 ARG 16 16.059 -2.021 -4.861 110 2HH1 ARG 16 HH12 ARG 16 15.173 -2.666 -6.203 111 1HH2 ARG 16 HH21 ARG 16 14.931 -5.888 -4.871 112 2HH2 ARG 16 HH22 ARG 16 14.531 -4.862 -6.208 113 H LEU 17 HN LEU 17 14.534 -4.149 2.063 114 HA LEU 17 HA LEU 17 12.586 -6.058 1.373 115 1HB LEU 17 HB2 LEU 17 13.149 -4.660 3.985 116 2HB LEU 17 HB1 LEU 17 11.966 -5.942 3.819 117 HG LEU 17 HG LEU 17 13.820 -7.445 3.031 118 1HD1 LEU 17 HD11 LEU 17 16.061 -6.847 3.202 119 2HD1 LEU 17 HD12 LEU 17 15.707 -5.423 4.180 120 3HD1 LEU 17 HD13 LEU 17 15.311 -5.433 2.462 121 1HD2 LEU 17 HD21 LEU 17 13.841 -8.165 5.127 122 2HD2 LEU 17 HD22 LEU 17 13.086 -6.648 5.616 123 3HD2 LEU 17 HD23 LEU 17 14.843 -6.804 5.630 124 H SER 18 HN SER 18 10.405 -5.989 1.215 125 HA SER 18 HA SER 18 9.058 -3.434 1.747 126 1HB SER 18 HB2 SER 18 7.772 -3.691 -0.359 127 2HB SER 18 HB1 SER 18 9.500 -3.487 -0.649 128 HG SER 18 HG SER 18 8.579 -5.187 -1.897 129 H GLU 19 HN GLU 19 7.709 -3.919 3.346 130 HA GLU 19 HA GLU 19 6.634 -6.453 3.891 131 1HB GLU 19 HB2 GLU 19 5.205 -5.334 5.501 132 2HB GLU 19 HB1 GLU 19 6.824 -4.653 5.569 133 1HG GLU 19 HG2 GLU 19 4.494 -3.416 4.118 134 2HG GLU 19 HG1 GLU 19 5.042 -2.961 5.731 135 H GLU 20 HN GLU 20 5.900 -4.375 1.407 136 HA GLU 20 HA GLU 20 3.241 -4.196 1.040 137 1HB GLU 20 HB2 GLU 20 4.899 -3.430 -0.595 138 2HB GLU 20 HB1 GLU 20 5.221 -5.095 -1.057 139 1HG GLU 20 HG2 GLU 20 2.923 -5.320 -1.855 140 2HG GLU 20 HG1 GLU 20 2.602 -3.649 -1.393 141 H GLU 21 HN GLU 21 5.143 -7.144 0.453 142 HA GLU 21 HA GLU 21 2.620 -8.651 0.549 143 1HB GLU 21 HB2 GLU 21 4.919 -9.253 -1.319 144 2HB GLU 21 HB1 GLU 21 3.416 -10.154 -1.195 145 1HG GLU 21 HG2 GLU 21 2.673 -8.891 -2.857 146 2HG GLU 21 HG1 GLU 21 2.576 -7.577 -1.685 147 H ILE 22 HN ILE 22 4.617 -8.119 2.615 148 HA ILE 22 HA ILE 22 5.914 -10.712 2.943 149 HB ILE 22 HB ILE 22 6.181 -8.175 4.551 150 1HG1 ILE 22 HG12 ILE 22 7.204 -8.051 2.334 151 2HG1 ILE 22 HG11 ILE 22 8.446 -8.114 3.579 152 1HG2 ILE 22 HG21 ILE 22 6.502 -10.544 5.672 153 2HG2 ILE 22 HG22 ILE 22 7.601 -9.208 6.013 154 3HG2 ILE 22 HG23 ILE 22 8.063 -10.456 4.857 155 1HD1 ILE 22 HD11 ILE 22 8.755 -9.520 1.460 156 2HD1 ILE 22 HD12 ILE 22 7.553 -10.597 2.170 157 3HD1 ILE 22 HD13 ILE 22 9.066 -10.281 3.020 158 H GLY 23 HN GLY 23 3.976 -8.535 5.043 159 1HA GLY 23 HA2 GLY 23 3.288 -10.867 6.668 160 2HA GLY 23 HA1 GLY 23 3.030 -9.190 7.106 161 H GLY 24 HN GLY 24 1.382 -8.061 5.570 162 1HA GLY 24 HA2 GLY 24 -1.098 -9.267 6.016 163 2HA GLY 24 HA1 GLY 24 -0.820 -7.885 4.973 164 H LEU 25 HN LEU 25 0.960 -9.394 3.181 165 HA LEU 25 HA LEU 25 -0.671 -10.035 1.137 166 1HB LEU 25 HB2 LEU 25 1.757 -9.974 0.948 167 2HB LEU 25 HB1 LEU 25 1.879 -11.481 1.837 168 HG LEU 25 HG LEU 25 0.513 -12.538 -0.034 169 1HD1 LEU 25 HD11 LEU 25 0.213 -9.927 -0.854 170 2HD1 LEU 25 HD12 LEU 25 -0.153 -11.368 -1.802 171 3HD1 LEU 25 HD13 LEU 25 1.413 -10.576 -1.972 172 1HD2 LEU 25 HD21 LEU 25 3.185 -12.293 0.314 173 2HD2 LEU 25 HD22 LEU 25 2.997 -11.623 -1.307 174 3HD2 LEU 25 HD23 LEU 25 2.430 -13.256 -0.955 175 H LYS 26 HN LYS 26 -0.229 -12.026 3.957 176 HA LYS 26 HA LYS 26 -1.363 -14.345 2.632 177 1HB LYS 26 HB2 LYS 26 0.491 -14.613 4.214 178 2HB LYS 26 HB1 LYS 26 -0.517 -13.971 5.502 179 1HG LYS 26 HG2 LYS 26 -2.003 -15.855 5.348 180 2HG LYS 26 HG1 LYS 26 -1.133 -16.471 3.943 181 1HD LYS 26 HD2 LYS 26 0.136 -16.082 6.650 182 2HD LYS 26 HD1 LYS 26 -0.596 -17.599 6.129 183 1HE LYS 26 HE2 LYS 26 1.771 -17.725 5.757 184 2HE LYS 26 HE1 LYS 26 0.963 -17.626 4.195 185 1HZ LYS 26 HZ1 LYS 26 3.035 -16.165 4.698 186 2HZ LYS 26 HZ2 LYS 26 1.917 -15.157 5.469 187 3HZ LYS 26 HZ3 LYS 26 1.738 -15.518 3.826 188 H GLU 27 HN GLU 27 -2.195 -12.796 5.751 189 HA GLU 27 HA GLU 27 -4.902 -13.795 5.479 190 1HB GLU 27 HB2 GLU 27 -3.599 -12.252 7.716 191 2HB GLU 27 HB1 GLU 27 -5.187 -13.005 7.782 192 1HG GLU 27 HG2 GLU 27 -4.173 -15.200 7.492 193 2HG GLU 27 HG1 GLU 27 -2.578 -14.456 7.393 194 H LEU 28 HN LEU 28 -3.720 -10.614 6.555 195 HA LEU 28 HA LEU 28 -6.139 -9.295 6.183 196 1HB LEU 28 HB2 LEU 28 -3.322 -8.256 6.314 197 2HB LEU 28 HB1 LEU 28 -4.713 -7.196 6.210 198 HG LEU 28 HG LEU 28 -4.021 -7.339 8.503 199 1HD1 LEU 28 HD11 LEU 28 -6.552 -7.663 7.691 200 2HD1 LEU 28 HD12 LEU 28 -6.084 -7.556 9.388 201 3HD1 LEU 28 HD13 LEU 28 -6.359 -9.133 8.647 202 1HD2 LEU 28 HD21 LEU 28 -4.549 -10.279 8.587 203 2HD2 LEU 28 HD22 LEU 28 -3.613 -9.276 9.694 204 3HD2 LEU 28 HD23 LEU 28 -2.966 -9.673 8.102 205 H PHE 29 HN PHE 29 -3.249 -8.735 4.186 206 HA PHE 29 HA PHE 29 -4.281 -7.154 2.262 207 1HB PHE 29 HB2 PHE 29 -1.907 -8.042 2.536 208 2HB PHE 29 HB1 PHE 29 -2.421 -9.408 1.553 209 HD1 PHE 29 HD1 PHE 29 -3.439 -5.878 1.149 210 HD2 PHE 29 HD2 PHE 29 -1.114 -9.105 -0.351 211 HE1 PHE 29 HE1 PHE 29 -2.951 -4.577 -0.873 212 HE2 PHE 29 HE2 PHE 29 -0.623 -7.813 -2.379 213 HZ PHE 29 HZ PHE 29 -1.540 -5.542 -2.647 214 H LYS 30 HN LYS 30 -4.451 -10.706 2.203 215 HA LYS 30 HA LYS 30 -5.791 -10.842 -0.298 216 1HB LYS 30 HB2 LYS 30 -5.582 -12.854 1.943 217 2HB LYS 30 HB1 LYS 30 -6.267 -13.201 0.363 218 1HG LYS 30 HG2 LYS 30 -3.438 -12.299 0.851 219 2HG LYS 30 HG1 LYS 30 -3.943 -13.971 0.607 220 1HD LYS 30 HD2 LYS 30 -4.325 -11.728 -1.375 221 2HD LYS 30 HD1 LYS 30 -3.049 -12.944 -1.448 222 1HE LYS 30 HE2 LYS 30 -6.016 -13.474 -1.578 223 2HE LYS 30 HE1 LYS 30 -4.900 -13.505 -2.942 224 1HZ LYS 30 HZ1 LYS 30 -4.033 -15.191 -0.805 225 2HZ LYS 30 HZ2 LYS 30 -4.275 -15.563 -2.437 226 3HZ LYS 30 HZ3 LYS 30 -5.574 -15.624 -1.356 227 H MET 31 HN MET 31 -6.913 -10.495 2.993 228 HA MET 31 HA MET 31 -9.660 -11.084 2.257 229 1HB MET 31 HB2 MET 31 -8.756 -11.873 4.406 230 2HB MET 31 HB1 MET 31 -8.503 -10.206 4.905 231 1HG MET 31 HG2 MET 31 -10.895 -9.798 4.826 232 2HG MET 31 HG1 MET 31 -11.170 -11.446 4.263 233 1HE MET 31 HE1 MET 31 -10.115 -9.675 8.157 234 2HE MET 31 HE2 MET 31 -9.192 -9.488 6.665 235 3HE MET 31 HE3 MET 31 -8.725 -10.715 7.843 236 H ILE 32 HN ILE 32 -7.664 -8.346 2.343 237 HA ILE 32 HA ILE 32 -9.865 -6.505 2.847 238 HB ILE 32 HB ILE 32 -7.713 -6.023 3.891 239 1HG1 ILE 32 HG12 ILE 32 -8.401 -4.013 1.736 240 2HG1 ILE 32 HG11 ILE 32 -9.226 -4.164 3.285 241 1HG2 ILE 32 HG21 ILE 32 -6.727 -6.543 1.220 242 2HG2 ILE 32 HG22 ILE 32 -5.869 -6.529 2.760 243 3HG2 ILE 32 HG23 ILE 32 -6.110 -5.025 1.871 244 1HD1 ILE 32 HD11 ILE 32 -6.358 -3.874 3.580 245 2HD1 ILE 32 HD12 ILE 32 -7.675 -2.972 4.331 246 3HD1 ILE 32 HD13 ILE 32 -7.100 -2.519 2.726 247 H ASP 33 HN ASP 33 -7.975 -7.740 0.205 248 HA ASP 33 HA ASP 33 -8.989 -5.730 -1.633 249 1HB ASP 33 HB2 ASP 33 -6.661 -6.515 -1.859 250 2HB ASP 33 HB1 ASP 33 -7.248 -8.148 -2.162 251 H THR 34 HN THR 34 -10.792 -5.958 -2.765 252 HA THR 34 HA THR 34 -12.489 -8.195 -2.468 253 HB THR 34 HB THR 34 -12.581 -5.981 -4.532 254 HG1 THR 34 HG1 THR 34 -13.348 -6.150 -1.864 255 1HG2 THR 34 HG21 THR 34 -14.074 -8.158 -4.737 256 2HG2 THR 34 HG22 THR 34 -14.694 -6.548 -5.103 257 3HG2 THR 34 HG23 THR 34 -15.040 -7.292 -3.542 258 H ASP 35 HN ASP 35 -9.823 -7.617 -4.455 259 HA ASP 35 HA ASP 35 -10.656 -9.595 -6.430 260 1HB ASP 35 HB2 ASP 35 -8.501 -7.519 -6.412 261 2HB ASP 35 HB1 ASP 35 -8.481 -8.846 -7.566 262 H ASN 36 HN ASN 36 -8.619 -9.272 -3.674 263 HA ASN 36 HA ASN 36 -7.040 -10.663 -2.769 264 1HB ASN 36 HB2 ASN 36 -8.382 -12.923 -4.237 265 2HB ASN 36 HB1 ASN 36 -7.676 -12.923 -2.625 266 1HD2 ASN 36 HD21 ASN 36 -10.486 -13.074 -4.222 267 2HD2 ASN 36 HD22 ASN 36 -11.555 -12.414 -3.037 268 H SER 37 HN SER 37 -6.670 -9.602 -5.600 269 HA SER 37 HA SER 37 -5.106 -11.686 -6.882 270 1HB SER 37 HB2 SER 37 -4.706 -9.985 -8.628 271 2HB SER 37 HB1 SER 37 -6.426 -10.138 -8.267 272 HG SER 37 HG SER 37 -4.770 -8.190 -7.053 273 H GLY 38 HN GLY 38 -4.723 -9.265 -4.595 274 1HA GLY 38 HA2 GLY 38 -2.704 -9.185 -3.275 275 2HA GLY 38 HA1 GLY 38 -1.787 -9.594 -4.719 276 H THR 39 HN THR 39 -4.338 -7.287 -4.884 277 HA THR 39 HA THR 39 -2.709 -4.974 -4.438 278 HB THR 39 HB THR 39 -3.494 -5.734 -7.254 279 HG1 THR 39 HG1 THR 39 -0.965 -5.011 -6.214 280 1HG2 THR 39 HG21 THR 39 -2.461 -3.119 -6.208 281 2HG2 THR 39 HG22 THR 39 -3.981 -3.422 -7.054 282 3HG2 THR 39 HG23 THR 39 -2.447 -3.588 -7.910 283 H ILE 40 HN ILE 40 -3.985 -3.281 -3.883 284 HA ILE 40 HA ILE 40 -6.872 -3.642 -4.305 285 HB ILE 40 HB ILE 40 -5.312 -2.170 -2.193 286 1HG1 ILE 40 HG12 ILE 40 -7.602 -4.125 -1.989 287 2HG1 ILE 40 HG11 ILE 40 -5.903 -4.596 -1.939 288 1HG2 ILE 40 HG21 ILE 40 -7.324 -1.157 -1.353 289 2HG2 ILE 40 HG22 ILE 40 -8.284 -1.912 -2.625 290 3HG2 ILE 40 HG23 ILE 40 -7.102 -0.669 -3.033 291 1HD1 ILE 40 HD11 ILE 40 -6.207 -2.566 -0.031 292 2HD1 ILE 40 HD12 ILE 40 -5.950 -4.288 0.251 293 3HD1 ILE 40 HD13 ILE 40 -7.590 -3.643 0.164 294 H THR 41 HN THR 41 -8.162 -1.887 -4.953 295 HA THR 41 HA THR 41 -6.771 0.444 -6.075 296 HB THR 41 HB THR 41 -8.978 -1.052 -7.504 297 HG1 THR 41 HG1 THR 41 -7.401 -1.899 -8.808 298 1HG2 THR 41 HG21 THR 41 -9.035 1.091 -8.367 299 2HG2 THR 41 HG22 THR 41 -7.962 0.239 -9.476 300 3HG2 THR 41 HG23 THR 41 -7.288 1.297 -8.238 301 H PHE 42 HN PHE 42 -8.392 2.214 -6.562 302 HA PHE 42 HA PHE 42 -9.892 2.849 -4.317 303 1HB PHE 42 HB2 PHE 42 -9.054 4.603 -5.708 304 2HB PHE 42 HB1 PHE 42 -9.896 3.972 -7.118 305 HD1 PHE 42 HD1 PHE 42 -11.417 5.544 -7.787 306 HD2 PHE 42 HD2 PHE 42 -11.066 4.645 -3.646 307 HE1 PHE 42 HE1 PHE 42 -13.333 7.000 -7.314 308 HE2 PHE 42 HE2 PHE 42 -12.983 6.100 -3.163 309 HZ PHE 42 HZ PHE 42 -14.126 7.285 -4.997 310 H ASP 43 HN ASP 43 -11.038 1.921 -7.579 311 HA ASP 43 HA ASP 43 -13.764 1.891 -7.004 312 1HB ASP 43 HB2 ASP 43 -12.893 1.704 -9.291 313 2HB ASP 43 HB1 ASP 43 -12.235 0.112 -8.923 314 H GLU 44 HN GLU 44 -11.244 -0.365 -6.294 315 HA GLU 44 HA GLU 44 -13.063 -2.442 -5.368 316 1HB GLU 44 HB2 GLU 44 -10.053 -2.346 -5.116 317 2HB GLU 44 HB1 GLU 44 -11.090 -3.764 -5.041 318 1HG GLU 44 HG2 GLU 44 -11.530 -3.684 -7.358 319 2HG GLU 44 HG1 GLU 44 -10.839 -2.070 -7.507 320 H LEU 45 HN LEU 45 -11.244 0.217 -4.221 321 HA LEU 45 HA LEU 45 -10.886 -0.513 -1.539 322 1HB LEU 45 HB2 LEU 45 -9.623 1.285 -2.600 323 2HB LEU 45 HB1 LEU 45 -11.090 2.233 -2.756 324 HG LEU 45 HG LEU 45 -11.271 2.299 -0.281 325 1HD1 LEU 45 HD11 LEU 45 -9.147 1.724 0.968 326 2HD1 LEU 45 HD12 LEU 45 -8.664 0.817 -0.465 327 3HD1 LEU 45 HD13 LEU 45 -10.123 0.363 0.416 328 1HD2 LEU 45 HD21 LEU 45 -9.915 3.927 -1.852 329 2HD2 LEU 45 HD22 LEU 45 -8.554 3.320 -0.909 330 3HD2 LEU 45 HD23 LEU 45 -9.905 4.114 -0.099 331 H LYS 46 HN LYS 46 -13.123 1.894 -2.885 332 HA LYS 46 HA LYS 46 -14.693 2.256 -0.629 333 1HB LYS 46 HB2 LYS 46 -16.419 3.111 -2.221 334 2HB LYS 46 HB1 LYS 46 -14.820 3.804 -2.455 335 1HG LYS 46 HG2 LYS 46 -14.440 2.250 -4.322 336 2HG LYS 46 HG1 LYS 46 -16.072 1.618 -4.105 337 1HD LYS 46 HD2 LYS 46 -15.388 4.486 -4.748 338 2HD LYS 46 HD1 LYS 46 -15.929 3.284 -5.920 339 1HE LYS 46 HE2 LYS 46 -17.490 4.245 -3.524 340 2HE LYS 46 HE1 LYS 46 -17.765 4.734 -5.195 341 1HZ LYS 46 HZ1 LYS 46 -18.229 2.092 -3.954 342 2HZ LYS 46 HZ2 LYS 46 -18.087 2.262 -5.631 343 3HZ LYS 46 HZ3 LYS 46 -19.322 3.068 -4.802 344 H ASP 47 HN ASP 47 -14.999 -0.134 -3.205 345 HA ASP 47 HA ASP 47 -17.523 -1.145 -2.443 346 1HB ASP 47 HB2 ASP 47 -16.442 -1.516 -4.660 347 2HB ASP 47 HB1 ASP 47 -15.291 -2.595 -3.884 348 H GLY 48 HN GLY 48 -14.443 -1.406 -1.061 349 1HA GLY 48 HA2 GLY 48 -14.974 -3.929 0.300 350 2HA GLY 48 HA1 GLY 48 -13.506 -2.964 0.425 351 H LEU 49 HN LEU 49 -14.647 -0.499 1.011 352 HA LEU 49 HA LEU 49 -15.191 -0.830 3.819 353 1HB LEU 49 HB2 LEU 49 -13.806 1.025 2.796 354 2HB LEU 49 HB1 LEU 49 -15.293 1.699 2.164 355 HG LEU 49 HG LEU 49 -14.936 1.251 5.117 356 1HD1 LEU 49 HD11 LEU 49 -14.134 3.532 5.320 357 2HD1 LEU 49 HD12 LEU 49 -14.157 3.718 3.566 358 3HD1 LEU 49 HD13 LEU 49 -13.032 2.586 4.319 359 1HD2 LEU 49 HD21 LEU 49 -16.413 3.562 4.081 360 2HD2 LEU 49 HD22 LEU 49 -16.847 2.409 5.344 361 3HD2 LEU 49 HD23 LEU 49 -17.106 1.999 3.648 362 H LYS 50 HN LYS 50 -16.931 -0.568 0.910 363 HA LYS 50 HA LYS 50 -19.393 0.335 2.117 364 1HB LYS 50 HB2 LYS 50 -18.867 1.011 -0.180 365 2HB LYS 50 HB1 LYS 50 -18.828 -0.675 -0.675 366 1HG LYS 50 HG2 LYS 50 -20.907 0.337 -1.351 367 2HG LYS 50 HG1 LYS 50 -21.212 -0.877 -0.107 368 1HD LYS 50 HD2 LYS 50 -21.355 0.889 1.581 369 2HD LYS 50 HD1 LYS 50 -21.041 2.104 0.340 370 1HE LYS 50 HE2 LYS 50 -23.403 0.229 0.416 371 2HE LYS 50 HE1 LYS 50 -23.429 1.933 0.868 372 1HZ LYS 50 HZ1 LYS 50 -24.229 1.441 -1.423 373 2HZ LYS 50 HZ2 LYS 50 -22.656 0.969 -1.829 374 3HZ LYS 50 HZ3 LYS 50 -22.964 2.564 -1.356 375 H ARG 51 HN ARG 51 -17.929 -2.637 0.970 376 HA ARG 51 HA ARG 51 -20.089 -4.351 0.942 377 1HB ARG 51 HB2 ARG 51 -17.851 -5.025 0.233 378 2HB ARG 51 HB1 ARG 51 -17.280 -4.942 1.894 379 1HG ARG 51 HG2 ARG 51 -18.726 -6.774 2.522 380 2HG ARG 51 HG1 ARG 51 -19.416 -6.819 0.900 381 1HD ARG 51 HD2 ARG 51 -17.750 -8.576 1.197 382 2HD ARG 51 HD1 ARG 51 -17.234 -7.410 -0.020 383 HE ARG 51 HE ARG 51 -16.170 -6.620 2.436 384 1HH1 ARG 51 HH11 ARG 51 -15.882 -9.254 0.172 385 2HH1 ARG 51 HH12 ARG 51 -14.230 -9.586 0.572 386 1HH2 ARG 51 HH21 ARG 51 -13.994 -7.050 2.967 387 2HH2 ARG 51 HH22 ARG 51 -13.157 -8.335 2.161 388 H VAL 52 HN VAL 52 -18.419 -2.994 3.696 389 HA VAL 52 HA VAL 52 -19.820 -4.730 5.563 390 HB VAL 52 HB VAL 52 -18.607 -3.530 7.323 391 1HG1 VAL 52 HG11 VAL 52 -17.357 -5.332 6.664 392 2HG1 VAL 52 HG12 VAL 52 -16.223 -4.024 6.331 393 3HG1 VAL 52 HG13 VAL 52 -17.161 -4.734 5.017 394 1HG2 VAL 52 HG21 VAL 52 -17.024 -1.795 6.846 395 2HG2 VAL 52 HG22 VAL 52 -18.579 -1.325 6.160 396 3HG2 VAL 52 HG23 VAL 52 -17.305 -1.948 5.112 397 H GLY 53 HN GLY 53 -19.983 -1.468 4.313 398 1HA GLY 53 HA2 GLY 53 -21.650 0.108 4.463 399 2HA GLY 53 HA1 GLY 53 -22.664 -1.138 5.171 400 H SER 54 HN SER 54 -19.649 0.415 6.291 401 HA SER 54 HA SER 54 -20.437 0.488 8.979 402 1HB SER 54 HB2 SER 54 -18.408 2.209 7.534 403 2HB SER 54 HB1 SER 54 -18.549 2.066 9.286 404 HG SER 54 HG SER 54 -18.405 -0.369 8.124 405 H GLU 55 HN GLU 55 -19.518 3.622 7.857 406 HA GLU 55 HA GLU 55 -22.051 4.790 7.513 407 1HB GLU 55 HB2 GLU 55 -22.236 6.015 9.657 408 2HB GLU 55 HB1 GLU 55 -22.422 4.278 9.850 409 1HG GLU 55 HG2 GLU 55 -20.112 4.117 10.627 410 2HG GLU 55 HG1 GLU 55 -19.929 5.860 10.436 411 H LEU 56 HN LEU 56 -19.593 4.988 6.226 412 HA LEU 56 HA LEU 56 -18.696 7.707 6.921 413 1HB LEU 56 HB2 LEU 56 -17.195 5.819 5.135 414 2HB LEU 56 HB1 LEU 56 -16.599 7.241 5.969 415 HG LEU 56 HG LEU 56 -17.375 4.639 7.292 416 1HD1 LEU 56 HD11 LEU 56 -15.345 4.076 6.480 417 2HD1 LEU 56 HD12 LEU 56 -14.784 4.995 7.877 418 3HD1 LEU 56 HD13 LEU 56 -14.835 5.753 6.285 419 1HD2 LEU 56 HD21 LEU 56 -17.762 6.061 9.014 420 2HD2 LEU 56 HD22 LEU 56 -16.750 7.336 8.335 421 3HD2 LEU 56 HD23 LEU 56 -16.007 5.969 9.165 422 H MET 57 HN MET 57 -17.642 8.735 4.867 423 HA MET 57 HA MET 57 -19.704 8.683 2.775 424 1HB MET 57 HB2 MET 57 -19.343 10.831 4.046 425 2HB MET 57 HB1 MET 57 -17.720 10.888 3.374 426 1HG MET 57 HG2 MET 57 -19.179 12.326 2.117 427 2HG MET 57 HG1 MET 57 -18.676 10.970 1.115 428 1HE MET 57 HE1 MET 57 -22.835 11.288 3.085 429 2HE MET 57 HE2 MET 57 -21.654 12.597 3.130 430 3HE MET 57 HE3 MET 57 -21.329 11.086 3.980 431 H GLU 58 HN GLU 58 -19.143 7.910 0.863 432 HA GLU 58 HA GLU 58 -16.775 6.652 0.257 433 1HB GLU 58 HB2 GLU 58 -17.464 6.713 -2.085 434 2HB GLU 58 HB1 GLU 58 -18.819 6.328 -1.037 435 1HG GLU 58 HG2 GLU 58 -18.321 9.129 -1.964 436 2HG GLU 58 HG1 GLU 58 -19.181 7.970 -2.973 437 H SER 59 HN SER 59 -17.254 9.921 0.533 438 HA SER 59 HA SER 59 -15.518 10.957 -1.443 439 1HB SER 59 HB2 SER 59 -16.364 12.155 1.204 440 2HB SER 59 HB1 SER 59 -15.569 13.032 -0.103 441 HG SER 59 HG SER 59 -18.132 11.824 -0.131 442 H GLU 60 HN GLU 60 -15.016 10.128 1.978 443 HA GLU 60 HA GLU 60 -12.313 10.968 2.052 444 1HB GLU 60 HB2 GLU 60 -13.686 10.695 4.081 445 2HB GLU 60 HB1 GLU 60 -13.760 8.962 3.796 446 1HG GLU 60 HG2 GLU 60 -11.344 8.804 4.087 447 2HG GLU 60 HG1 GLU 60 -11.262 10.544 4.361 448 H ILE 61 HN ILE 61 -13.904 8.222 0.796 449 HA ILE 61 HA ILE 61 -11.797 6.331 0.977 450 HB ILE 61 HB ILE 61 -14.071 6.434 -1.008 451 1HG1 ILE 61 HG12 ILE 61 -13.846 5.090 1.696 452 2HG1 ILE 61 HG11 ILE 61 -14.889 6.447 1.293 453 1HG2 ILE 61 HG21 ILE 61 -13.180 3.802 -0.299 454 2HG2 ILE 61 HG22 ILE 61 -11.822 4.757 -0.895 455 3HG2 ILE 61 HG23 ILE 61 -13.265 4.561 -1.889 456 1HD1 ILE 61 HD11 ILE 61 -16.058 4.271 1.422 457 2HD1 ILE 61 HD12 ILE 61 -15.104 3.721 0.044 458 3HD1 ILE 61 HD13 ILE 61 -16.221 5.074 -0.141 459 H LYS 62 HN LYS 62 -12.705 8.730 -1.463 460 HA LYS 62 HA LYS 62 -10.802 7.805 -3.382 461 1HB LYS 62 HB2 LYS 62 -11.433 9.666 -4.713 462 2HB LYS 62 HB1 LYS 62 -12.894 9.108 -3.917 463 1HG LYS 62 HG2 LYS 62 -13.124 11.348 -3.625 464 2HG LYS 62 HG1 LYS 62 -12.231 10.951 -2.157 465 1HD LYS 62 HD2 LYS 62 -11.268 12.915 -3.212 466 2HD LYS 62 HD1 LYS 62 -10.131 11.569 -3.283 467 1HE LYS 62 HE2 LYS 62 -10.806 11.127 -5.596 468 2HE LYS 62 HE1 LYS 62 -11.939 12.477 -5.522 469 1HZ LYS 62 HZ1 LYS 62 -9.016 12.510 -5.690 470 2HZ LYS 62 HZ2 LYS 62 -9.773 13.762 -4.843 471 3HZ LYS 62 HZ3 LYS 62 -10.154 13.492 -6.469 472 H ASP 63 HN ASP 63 -10.795 10.228 -0.832 473 HA ASP 63 HA ASP 63 -8.217 11.287 -1.577 474 1HB ASP 63 HB2 ASP 63 -9.743 11.620 1.020 475 2HB ASP 63 HB1 ASP 63 -8.354 12.570 0.504 476 H LEU 64 HN LEU 64 -9.465 8.724 0.341 477 HA LEU 64 HA LEU 64 -7.170 8.344 2.004 478 1HB LEU 64 HB2 LEU 64 -9.492 7.591 2.571 479 2HB LEU 64 HB1 LEU 64 -9.352 6.378 1.312 480 HG LEU 64 HG LEU 64 -7.471 5.338 2.520 481 1HD1 LEU 64 HD11 LEU 64 -7.808 7.726 4.206 482 2HD1 LEU 64 HD12 LEU 64 -6.370 6.763 3.869 483 3HD1 LEU 64 HD13 LEU 64 -7.540 6.211 5.068 484 1HD2 LEU 64 HD21 LEU 64 -9.810 5.648 4.380 485 2HD2 LEU 64 HD22 LEU 64 -8.781 4.237 4.133 486 3HD2 LEU 64 HD23 LEU 64 -9.912 4.734 2.874 487 H MET 65 HN MET 65 -8.184 7.243 -1.144 488 HA MET 65 HA MET 65 -6.188 5.163 -1.302 489 1HB MET 65 HB2 MET 65 -8.403 5.005 -2.434 490 2HB MET 65 HB1 MET 65 -7.925 6.326 -3.487 491 1HG MET 65 HG2 MET 65 -6.410 3.737 -3.306 492 2HG MET 65 HG1 MET 65 -7.724 4.013 -4.446 493 1HE MET 65 HE1 MET 65 -7.715 6.592 -5.282 494 2HE MET 65 HE2 MET 65 -7.128 5.995 -6.834 495 3HE MET 65 HE3 MET 65 -6.303 7.333 -6.036 496 H ASP 66 HN ASP 66 -6.689 8.375 -2.736 497 HA ASP 66 HA ASP 66 -4.377 8.385 -4.339 498 1HB ASP 66 HB2 ASP 66 -6.260 9.967 -4.615 499 2HB ASP 66 HB1 ASP 66 -5.807 10.749 -3.104 500 H ALA 67 HN ALA 67 -4.933 9.836 -1.128 501 HA ALA 67 HA ALA 67 -2.259 10.712 -0.798 502 1HB ALA 67 HB1 ALA 67 -4.598 10.401 1.037 503 2HB ALA 67 HB2 ALA 67 -3.777 11.868 0.505 504 3HB ALA 67 HB3 ALA 67 -3.005 10.803 1.680 505 H ALA 68 HN ALA 68 -3.509 7.614 -0.764 506 HA ALA 68 HA ALA 68 -1.635 6.606 1.238 507 1HB ALA 68 HB1 ALA 68 -3.973 5.443 -0.206 508 2HB ALA 68 HB2 ALA 68 -3.643 5.519 1.524 509 3HB ALA 68 HB3 ALA 68 -2.766 4.374 0.509 510 H ASP 69 HN ASP 69 -2.401 6.116 -2.199 511 HA ASP 69 HA ASP 69 0.114 4.685 -2.560 512 1HB ASP 69 HB2 ASP 69 -1.812 3.650 -3.577 513 2HB ASP 69 HB1 ASP 69 -2.226 5.142 -4.420 514 H ILE 70 HN ILE 70 1.862 5.726 -3.123 515 HA ILE 70 HA ILE 70 1.745 8.440 -4.105 516 HB ILE 70 HB ILE 70 3.402 7.778 -2.409 517 1HG1 ILE 70 HG12 ILE 70 4.652 8.614 -5.039 518 2HG1 ILE 70 HG11 ILE 70 3.846 9.695 -3.906 519 1HG2 ILE 70 HG21 ILE 70 4.984 6.160 -2.687 520 2HG2 ILE 70 HG22 ILE 70 5.041 6.359 -4.439 521 3HG2 ILE 70 HG23 ILE 70 3.702 5.487 -3.693 522 1HD1 ILE 70 HD11 ILE 70 6.142 9.972 -3.533 523 2HD1 ILE 70 HD12 ILE 70 6.441 8.234 -3.559 524 3HD1 ILE 70 HD13 ILE 70 5.573 8.960 -2.205 525 H ASP 71 HN ASP 71 2.032 5.282 -5.379 526 HA ASP 71 HA ASP 71 3.502 5.801 -7.732 527 1HB ASP 71 HB2 ASP 71 3.000 3.530 -6.818 528 2HB ASP 71 HB1 ASP 71 1.328 3.733 -7.322 529 H LYS 72 HN LYS 72 0.444 6.823 -6.748 530 HA LYS 72 HA LYS 72 -1.369 7.734 -7.786 531 1HB LYS 72 HB2 LYS 72 0.795 8.674 -9.675 532 2HB LYS 72 HB1 LYS 72 -0.794 9.405 -9.477 533 1HG LYS 72 HG2 LYS 72 1.205 9.165 -7.247 534 2HG LYS 72 HG1 LYS 72 1.078 10.570 -8.297 535 1HD LYS 72 HD2 LYS 72 -1.236 10.901 -7.593 536 2HD LYS 72 HD1 LYS 72 -1.131 9.470 -6.565 537 1HE LYS 72 HE2 LYS 72 0.520 11.980 -6.278 538 2HE LYS 72 HE1 LYS 72 -0.859 11.534 -5.275 539 1HZ LYS 72 HZ1 LYS 72 0.364 9.568 -4.553 540 2HZ LYS 72 HZ2 LYS 72 1.211 10.984 -4.183 541 3HZ LYS 72 HZ3 LYS 72 1.693 10.030 -5.494 542 H SER 73 HN SER 73 -0.605 5.021 -8.627 543 HA SER 73 HA SER 73 -1.385 4.958 -11.443 544 1HB SER 73 HB2 SER 73 -0.858 2.549 -11.314 545 2HB SER 73 HB1 SER 73 0.493 3.539 -10.762 546 HG SER 73 HG SER 73 -0.652 3.161 -8.589 547 H GLY 74 HN GLY 74 -2.957 5.103 -8.574 548 1HA GLY 74 HA2 GLY 74 -5.285 4.966 -8.311 549 2HA GLY 74 HA1 GLY 74 -5.366 3.957 -9.747 550 H THR 75 HN THR 75 -3.021 2.414 -8.409 551 HA THR 75 HA THR 75 -4.767 0.734 -6.735 552 HB THR 75 HB THR 75 -3.240 -1.127 -7.315 553 HG1 THR 75 HG1 THR 75 -1.656 -0.810 -8.851 554 1HG2 THR 75 HG21 THR 75 -4.972 -1.271 -8.776 555 2HG2 THR 75 HG22 THR 75 -3.650 -0.991 -9.909 556 3HG2 THR 75 HG23 THR 75 -4.701 0.343 -9.433 557 H ILE 76 HN ILE 76 -4.283 0.503 -4.657 558 HA ILE 76 HA ILE 76 -1.767 1.628 -3.679 559 HB ILE 76 HB ILE 76 -3.761 2.515 -2.631 560 1HG1 ILE 76 HG12 ILE 76 -3.249 2.008 -0.259 561 2HG1 ILE 76 HG11 ILE 76 -2.258 0.649 -0.779 562 1HG2 ILE 76 HG21 ILE 76 -4.443 -0.358 -2.339 563 2HG2 ILE 76 HG22 ILE 76 -5.468 1.013 -2.762 564 3HG2 ILE 76 HG23 ILE 76 -4.986 0.757 -1.085 565 1HD1 ILE 76 HD11 ILE 76 -0.525 2.014 -0.879 566 2HD1 ILE 76 HD12 ILE 76 -1.552 3.397 -0.504 567 3HD1 ILE 76 HD13 ILE 76 -1.325 2.897 -2.179 568 H ASP 77 HN ASP 77 -0.300 0.506 -2.510 569 HA ASP 77 HA ASP 77 -0.806 -2.359 -2.052 570 1HB ASP 77 HB2 ASP 77 1.751 -1.124 -3.103 571 2HB ASP 77 HB1 ASP 77 1.548 -2.818 -2.667 572 H TYR 78 HN TYR 78 0.349 -3.293 -0.285 573 HA TYR 78 HA TYR 78 0.478 -1.672 2.001 574 1HB TYR 78 HB2 TYR 78 1.359 -4.470 1.398 575 2HB TYR 78 HB1 TYR 78 1.845 -3.723 2.913 576 HD1 TYR 78 HD1 TYR 78 0.637 -5.299 4.264 577 HD2 TYR 78 HD2 TYR 78 -1.403 -2.956 1.355 578 HE1 TYR 78 HE1 TYR 78 -1.511 -5.908 5.289 579 HE2 TYR 78 HE2 TYR 78 -3.559 -3.561 2.374 580 HH TYR 78 HH TYR 78 -4.507 -4.411 4.310 581 H GLY 79 HN GLY 79 2.749 -2.020 -0.490 582 1HA GLY 79 HA2 GLY 79 5.053 -1.423 1.183 583 2HA GLY 79 HA1 GLY 79 5.062 -1.655 -0.558 584 H GLU 80 HN GLU 80 3.085 0.228 -1.250 585 HA GLU 80 HA GLU 80 4.656 2.654 -0.978 586 1HB GLU 80 HB2 GLU 80 2.176 2.107 -2.617 587 2HB GLU 80 HB1 GLU 80 3.191 3.540 -2.729 588 1HG GLU 80 HG2 GLU 80 5.067 2.152 -3.454 589 2HG GLU 80 HG1 GLU 80 4.046 0.720 -3.348 590 H PHE 81 HN PHE 81 1.814 1.267 0.333 591 HA PHE 81 HA PHE 81 0.332 3.548 1.001 592 1HB PHE 81 HB2 PHE 81 -0.591 1.291 1.167 593 2HB PHE 81 HB1 PHE 81 0.550 0.897 2.447 594 HD1 PHE 81 HD1 PHE 81 -0.640 0.558 4.380 595 HD2 PHE 81 HD2 PHE 81 -1.635 3.871 1.904 596 HE1 PHE 81 HE1 PHE 81 -2.267 1.321 6.061 597 HE2 PHE 81 HE2 PHE 81 -3.263 4.642 3.580 598 HZ PHE 81 HZ PHE 81 -3.580 3.366 5.662 599 H ILE 82 HN ILE 82 2.608 1.685 3.016 600 HA ILE 82 HA ILE 82 2.631 3.662 5.090 601 HB ILE 82 HB ILE 82 2.994 1.287 5.590 602 1HG1 ILE 82 HG12 ILE 82 4.988 1.542 7.048 603 2HG1 ILE 82 HG11 ILE 82 5.380 3.043 6.215 604 1HG2 ILE 82 HG21 ILE 82 5.408 0.465 5.058 605 2HG2 ILE 82 HG22 ILE 82 5.323 1.659 3.763 606 3HG2 ILE 82 HG23 ILE 82 4.144 0.348 3.833 607 1HD1 ILE 82 HD11 ILE 82 3.209 3.965 6.972 608 2HD1 ILE 82 HD12 ILE 82 4.307 3.553 8.290 609 3HD1 ILE 82 HD13 ILE 82 2.954 2.489 7.903 610 H ALA 83 HN ALA 83 4.325 3.206 2.149 611 HA ALA 83 HA ALA 83 6.818 4.298 2.623 612 1HB ALA 83 HB1 ALA 83 6.183 3.308 0.488 613 2HB ALA 83 HB2 ALA 83 6.838 4.930 0.257 614 3HB ALA 83 HB3 ALA 83 5.097 4.661 0.172 615 H ALA 84 HN ALA 84 3.719 5.879 2.411 616 HA ALA 84 HA ALA 84 5.044 8.455 2.954 617 1HB ALA 84 HB1 ALA 84 3.555 7.870 0.705 618 2HB ALA 84 HB2 ALA 84 3.937 9.482 1.311 619 3HB ALA 84 HB3 ALA 84 2.411 8.713 1.750 620 H THR 85 HN THR 85 4.735 7.570 5.197 621 HA THR 85 HA THR 85 2.163 8.515 6.232 622 HB THR 85 HB THR 85 3.453 5.890 7.005 623 HG1 THR 85 HG1 THR 85 1.348 6.589 5.338 624 1HG2 THR 85 HG21 THR 85 1.789 5.527 8.575 625 2HG2 THR 85 HG22 THR 85 0.778 6.831 7.951 626 3HG2 THR 85 HG23 THR 85 2.251 7.207 8.846 627 H VAL 86 HN VAL 86 5.551 7.841 6.689 628 HA VAL 86 HA VAL 86 5.862 8.508 9.375 629 HB VAL 86 HB VAL 86 8.200 9.045 8.831 630 1HG1 VAL 86 HG11 VAL 86 7.697 6.738 9.136 631 2HG1 VAL 86 HG12 VAL 86 8.768 6.858 7.740 632 3HG1 VAL 86 HG13 VAL 86 7.039 6.603 7.505 633 1HG2 VAL 86 HG21 VAL 86 7.084 9.188 6.084 634 2HG2 VAL 86 HG22 VAL 86 8.711 8.534 6.275 635 3HG2 VAL 86 HG23 VAL 86 8.341 10.161 6.848 636 H HIS 87 HN HIS 87 6.264 10.407 10.471 637 HA HIS 87 HA HIS 87 5.527 12.861 9.029 638 1HB HIS 87 HB2 HIS 87 4.055 12.251 10.904 639 2HB HIS 87 HB1 HIS 87 5.436 12.264 11.995 640 HD1 HIS 87 HD1 HIS 87 6.749 14.798 11.811 641 HD2 HIS 87 HD2 HIS 87 2.660 14.544 11.111 642 HE1 HIS 87 HE1 HIS 87 5.863 17.127 12.151 643 HE2 HIS 87 HE2 HIS 87 3.394 16.959 11.681 Start of MODEL 9 1 1H HIS 1 HT1 HIS 1 -25.612 13.323 1.942 2 2H HIS 1 HT2 HIS 1 -26.964 12.756 1.098 3 3H HIS 1 HT3 HIS 1 -27.097 14.122 2.087 4 HA HIS 1 HA HIS 1 -27.013 14.677 -0.289 5 1HB HIS 1 HB2 HIS 1 -24.678 15.591 1.409 6 2HB HIS 1 HB1 HIS 1 -25.285 16.429 -0.014 7 HD1 HIS 1 HD1 HIS 1 -28.108 16.864 0.323 8 HD2 HIS 1 HD2 HIS 1 -25.607 16.768 3.640 9 HE1 HIS 1 HE1 HIS 1 -29.353 18.079 2.139 10 HE2 HIS 1 HE2 HIS 1 -27.814 18.023 4.133 11 H SER 2 HN SER 2 -26.151 12.105 -0.604 12 HA SER 2 HA SER 2 -23.920 12.473 -2.446 13 1HB SER 2 HB2 SER 2 -22.756 10.465 -1.619 14 2HB SER 2 HB1 SER 2 -22.860 11.704 -0.368 15 HG SER 2 HG SER 2 -24.900 9.803 -0.500 16 H SER 3 HN SER 3 -23.955 11.101 -4.204 17 HA SER 3 HA SER 3 -26.391 9.476 -4.465 18 1HB SER 3 HB2 SER 3 -26.072 9.723 -6.906 19 2HB SER 3 HB1 SER 3 -26.204 11.286 -6.099 20 HG SER 3 HG SER 3 -24.481 11.335 -7.538 21 H GLY 4 HN GLY 4 -22.914 9.394 -4.623 22 1HA GLY 4 HA2 GLY 4 -22.853 6.561 -4.377 23 2HA GLY 4 HA1 GLY 4 -22.448 7.047 -6.016 24 H HIS 5 HN HIS 5 -21.673 8.545 -2.890 25 HA HIS 5 HA HIS 5 -18.822 8.114 -3.488 26 1HB HIS 5 HB2 HIS 5 -20.062 10.610 -2.308 27 2HB HIS 5 HB1 HIS 5 -18.338 10.334 -2.534 28 HD1 HIS 5 HD1 HIS 5 -21.395 10.186 -4.814 29 HD2 HIS 5 HD2 HIS 5 -17.487 11.597 -4.754 30 HE1 HIS 5 HE1 HIS 5 -21.047 11.295 -7.044 31 HE2 HIS 5 HE2 HIS 5 -18.651 12.074 -7.014 32 H ILE 6 HN ILE 6 -17.693 9.112 -1.235 33 HA ILE 6 HA ILE 6 -17.979 7.040 0.617 34 HB ILE 6 HB ILE 6 -16.826 9.793 1.086 35 1HG1 ILE 6 HG12 ILE 6 -15.750 8.659 -0.794 36 2HG1 ILE 6 HG11 ILE 6 -14.659 8.731 0.584 37 1HG2 ILE 6 HG21 ILE 6 -15.417 8.267 2.731 38 2HG2 ILE 6 HG22 ILE 6 -16.903 7.317 2.718 39 3HG2 ILE 6 HG23 ILE 6 -16.942 9.007 3.218 40 1HD1 ILE 6 HD11 ILE 6 -15.128 6.520 -0.892 41 2HD1 ILE 6 HD12 ILE 6 -16.282 6.295 0.423 42 3HD1 ILE 6 HD13 ILE 6 -14.567 6.502 0.780 43 H ASP 7 HN ASP 7 -19.819 6.655 1.682 44 HA ASP 7 HA ASP 7 -20.937 8.819 3.310 45 1HB ASP 7 HB2 ASP 7 -22.310 8.706 1.275 46 2HB ASP 7 HB1 ASP 7 -22.587 6.991 1.551 47 H ASP 8 HN ASP 8 -21.950 5.478 2.603 48 HA ASP 8 HA ASP 8 -21.311 4.764 5.378 49 1HB ASP 8 HB2 ASP 8 -23.443 3.517 5.544 50 2HB ASP 8 HB1 ASP 8 -23.693 5.248 5.339 51 H ASP 9 HN ASP 9 -22.372 3.461 2.232 52 HA ASP 9 HA ASP 9 -20.207 1.655 2.053 53 1HB ASP 9 HB2 ASP 9 -21.583 -0.465 2.235 54 2HB ASP 9 HB1 ASP 9 -21.246 0.357 3.755 55 H ASP 10 HN ASP 10 -20.712 3.230 0.141 56 HA ASP 10 HA ASP 10 -22.595 2.022 -1.741 57 1HB ASP 10 HB2 ASP 10 -21.043 4.608 -1.916 58 2HB ASP 10 HB1 ASP 10 -22.204 4.040 -3.112 59 H LYS 11 HN LYS 11 -19.343 3.391 -1.959 60 HA LYS 11 HA LYS 11 -18.699 1.598 -4.157 61 1HB LYS 11 HB2 LYS 11 -16.819 2.979 -4.539 62 2HB LYS 11 HB1 LYS 11 -18.117 4.062 -4.070 63 1HG LYS 11 HG2 LYS 11 -16.372 4.918 -2.871 64 2HG LYS 11 HG1 LYS 11 -17.104 3.832 -1.690 65 1HD LYS 11 HD2 LYS 11 -15.450 2.121 -2.214 66 2HD LYS 11 HD1 LYS 11 -14.741 3.164 -3.447 67 1HE LYS 11 HE2 LYS 11 -14.170 4.805 -1.723 68 2HE LYS 11 HE1 LYS 11 -14.878 3.759 -0.494 69 1HZ LYS 11 HZ1 LYS 11 -12.872 2.502 -2.156 70 2HZ LYS 11 HZ2 LYS 11 -13.091 2.430 -0.481 71 3HZ LYS 11 HZ3 LYS 11 -12.291 3.750 -1.171 72 H HIS 12 HN HIS 12 -18.339 1.818 -0.812 73 HA HIS 12 HA HIS 12 -15.939 0.399 -0.409 74 1HB HIS 12 HB2 HIS 12 -18.372 0.821 1.332 75 2HB HIS 12 HB1 HIS 12 -16.911 0.021 1.884 76 HD1 HIS 12 HD1 HIS 12 -14.657 1.684 1.337 77 HD2 HIS 12 HD2 HIS 12 -18.370 3.414 2.036 78 HE1 HIS 12 HE1 HIS 12 -14.176 4.056 2.019 79 HE2 HIS 12 HE2 HIS 12 -16.439 5.097 2.395 80 H MET 13 HN MET 13 -19.096 -0.533 -1.327 81 HA MET 13 HA MET 13 -19.187 -3.169 -0.351 82 1HB MET 13 HB2 MET 13 -20.424 -2.042 -2.869 83 2HB MET 13 HB1 MET 13 -20.848 -3.581 -2.133 84 1HG MET 13 HG2 MET 13 -21.528 -2.340 -0.088 85 2HG MET 13 HG1 MET 13 -21.251 -0.838 -0.969 86 1HE MET 13 HE1 MET 13 -23.860 -1.312 -3.934 87 2HE MET 13 HE2 MET 13 -22.138 -1.686 -3.859 88 3HE MET 13 HE3 MET 13 -22.738 -0.157 -3.216 89 H ALA 14 HN ALA 14 -17.554 -1.769 -3.093 90 HA ALA 14 HA ALA 14 -16.847 -4.403 -4.139 91 1HB ALA 14 HB1 ALA 14 -17.576 -2.569 -5.670 92 2HB ALA 14 HB2 ALA 14 -16.007 -3.269 -6.067 93 3HB ALA 14 HB3 ALA 14 -16.095 -1.707 -5.253 94 H GLU 15 HN GLU 15 -15.617 -2.043 -2.046 95 HA GLU 15 HA GLU 15 -12.830 -2.772 -2.503 96 1HB GLU 15 HB2 GLU 15 -14.044 -0.808 -0.550 97 2HB GLU 15 HB1 GLU 15 -12.325 -1.035 -0.837 98 1HG GLU 15 HG2 GLU 15 -14.308 -0.117 -2.905 99 2HG GLU 15 HG1 GLU 15 -13.257 0.944 -1.970 100 H ARG 16 HN ARG 16 -14.931 -4.598 -1.353 101 HA ARG 16 HA ARG 16 -14.137 -4.988 1.391 102 1HB ARG 16 HB2 ARG 16 -15.840 -6.702 -0.426 103 2HB ARG 16 HB1 ARG 16 -15.629 -6.954 1.301 104 1HG ARG 16 HG2 ARG 16 -16.648 -4.767 1.736 105 2HG ARG 16 HG1 ARG 16 -16.888 -4.547 0.001 106 1HD ARG 16 HD2 ARG 16 -18.307 -6.544 -0.049 107 2HD ARG 16 HD1 ARG 16 -18.072 -6.753 1.685 108 HE ARG 16 HE ARG 16 -19.971 -5.090 0.463 109 1HH1 ARG 16 HH11 ARG 16 -17.671 -5.036 3.088 110 2HH1 ARG 16 HH12 ARG 16 -18.572 -3.887 4.018 111 1HH2 ARG 16 HH21 ARG 16 -21.160 -3.585 1.689 112 2HH2 ARG 16 HH22 ARG 16 -20.555 -3.067 3.227 113 H LEU 17 HN LEU 17 -11.880 -5.291 1.124 114 HA LEU 17 HA LEU 17 -10.728 -7.297 -0.476 115 1HB LEU 17 HB2 LEU 17 -8.791 -7.053 1.192 116 2HB LEU 17 HB1 LEU 17 -9.242 -5.661 0.227 117 HG LEU 17 HG LEU 17 -10.514 -4.772 2.172 118 1HD1 LEU 17 HD11 LEU 17 -9.943 -7.387 3.229 119 2HD1 LEU 17 HD12 LEU 17 -11.038 -6.144 3.834 120 3HD1 LEU 17 HD13 LEU 17 -9.338 -6.129 4.306 121 1HD2 LEU 17 HD21 LEU 17 -8.587 -3.649 2.257 122 2HD2 LEU 17 HD22 LEU 17 -7.622 -5.098 1.976 123 3HD2 LEU 17 HD23 LEU 17 -8.183 -4.714 3.603 124 H SER 18 HN SER 18 -9.398 -9.134 0.513 125 HA SER 18 HA SER 18 -10.795 -10.438 2.726 126 1HB SER 18 HB2 SER 18 -11.776 -11.261 0.580 127 2HB SER 18 HB1 SER 18 -10.173 -11.815 0.099 128 HG SER 18 HG SER 18 -11.546 -13.440 1.086 129 H GLU 19 HN GLU 19 -9.430 -12.851 2.624 130 HA GLU 19 HA GLU 19 -7.102 -12.360 4.005 131 1HB GLU 19 HB2 GLU 19 -7.866 -14.746 2.334 132 2HB GLU 19 HB1 GLU 19 -6.514 -14.732 3.461 133 1HG GLU 19 HG2 GLU 19 -8.065 -14.287 5.302 134 2HG GLU 19 HG1 GLU 19 -9.413 -14.322 4.167 135 H GLU 20 HN GLU 20 -7.610 -12.322 0.585 136 HA GLU 20 HA GLU 20 -5.073 -12.873 -0.400 137 1HB GLU 20 HB2 GLU 20 -7.086 -12.580 -1.798 138 2HB GLU 20 HB1 GLU 20 -7.061 -10.856 -1.460 139 1HG GLU 20 HG2 GLU 20 -6.139 -11.238 -3.630 140 2HG GLU 20 HG1 GLU 20 -4.850 -10.713 -2.550 141 H GLU 21 HN GLU 21 -6.191 -10.134 1.364 142 HA GLU 21 HA GLU 21 -3.597 -8.807 0.936 143 1HB GLU 21 HB2 GLU 21 -5.428 -7.560 -0.138 144 2HB GLU 21 HB1 GLU 21 -6.277 -7.485 1.399 145 1HG GLU 21 HG2 GLU 21 -4.472 -6.149 2.342 146 2HG GLU 21 HG1 GLU 21 -3.601 -6.240 0.812 147 H ILE 22 HN ILE 22 -5.932 -10.015 3.137 148 HA ILE 22 HA ILE 22 -5.076 -8.563 5.449 149 HB ILE 22 HB ILE 22 -6.618 -11.157 5.274 150 1HG1 ILE 22 HG12 ILE 22 -7.751 -9.311 4.115 151 2HG1 ILE 22 HG11 ILE 22 -8.614 -9.764 5.580 152 1HG2 ILE 22 HG21 ILE 22 -6.170 -9.246 7.557 153 2HG2 ILE 22 HG22 ILE 22 -5.708 -10.945 7.465 154 3HG2 ILE 22 HG23 ILE 22 -7.411 -10.499 7.554 155 1HD1 ILE 22 HD11 ILE 22 -6.851 -7.363 5.176 156 2HD1 ILE 22 HD12 ILE 22 -7.530 -7.847 6.730 157 3HD1 ILE 22 HD13 ILE 22 -8.600 -7.388 5.405 158 H GLY 23 HN GLY 23 -3.998 -11.404 3.797 159 1HA GLY 23 HA2 GLY 23 -2.780 -12.890 5.779 160 2HA GLY 23 HA1 GLY 23 -2.178 -12.762 4.135 161 H GLY 24 HN GLY 24 -1.045 -10.511 3.760 162 1HA GLY 24 HA2 GLY 24 1.176 -10.477 5.590 163 2HA GLY 24 HA1 GLY 24 0.998 -9.495 4.144 164 H LEU 25 HN LEU 25 -1.752 -8.741 5.308 165 HA LEU 25 HA LEU 25 -1.104 -6.221 6.260 166 1HB LEU 25 HB2 LEU 25 -3.297 -6.625 5.449 167 2HB LEU 25 HB1 LEU 25 -3.566 -7.915 6.605 168 HG LEU 25 HG LEU 25 -3.637 -6.291 8.433 169 1HD1 LEU 25 HD11 LEU 25 -3.852 -3.834 7.658 170 2HD1 LEU 25 HD12 LEU 25 -2.941 -4.374 6.248 171 3HD1 LEU 25 HD13 LEU 25 -2.247 -4.535 7.862 172 1HD2 LEU 25 HD21 LEU 25 -5.626 -6.859 6.822 173 2HD2 LEU 25 HD22 LEU 25 -5.472 -5.159 6.380 174 3HD2 LEU 25 HD23 LEU 25 -5.791 -5.609 8.055 175 H LYS 26 HN LYS 26 -1.088 -9.232 7.928 176 HA LYS 26 HA LYS 26 -1.434 -8.197 10.558 177 1HB LYS 26 HB2 LYS 26 -1.903 -10.535 9.981 178 2HB LYS 26 HB1 LYS 26 -0.196 -10.796 9.648 179 1HG LYS 26 HG2 LYS 26 -0.748 -11.682 11.816 180 2HG LYS 26 HG1 LYS 26 0.316 -10.287 12.002 181 1HD LYS 26 HD2 LYS 26 -1.615 -8.880 12.523 182 2HD LYS 26 HD1 LYS 26 -2.686 -10.268 12.322 183 1HE LYS 26 HE2 LYS 26 -1.536 -11.406 14.168 184 2HE LYS 26 HE1 LYS 26 -0.491 -10.002 14.374 185 1HZ LYS 26 HZ1 LYS 26 -2.140 -8.793 15.323 186 2HZ LYS 26 HZ2 LYS 26 -2.673 -10.330 15.787 187 3HZ LYS 26 HZ3 LYS 26 -3.377 -9.558 14.458 188 H GLU 27 HN GLU 27 1.487 -9.726 9.176 189 HA GLU 27 HA GLU 27 3.122 -8.312 11.113 190 1HB GLU 27 HB2 GLU 27 3.471 -10.713 10.630 191 2HB GLU 27 HB1 GLU 27 3.915 -10.293 8.981 192 1HG GLU 27 HG2 GLU 27 5.885 -10.709 10.321 193 2HG GLU 27 HG1 GLU 27 5.824 -9.021 9.814 194 H LEU 28 HN LEU 28 3.564 -8.910 7.651 195 HA LEU 28 HA LEU 28 5.487 -7.112 7.066 196 1HB LEU 28 HB2 LEU 28 3.120 -7.816 5.342 197 2HB LEU 28 HB1 LEU 28 4.593 -7.062 4.764 198 HG LEU 28 HG LEU 28 4.406 -9.808 6.007 199 1HD1 LEU 28 HD11 LEU 28 4.713 -8.898 3.154 200 2HD1 LEU 28 HD12 LEU 28 3.409 -9.864 3.845 201 3HD1 LEU 28 HD13 LEU 28 5.029 -10.545 3.701 202 1HD2 LEU 28 HD21 LEU 28 6.665 -8.053 5.293 203 2HD2 LEU 28 HD22 LEU 28 6.794 -9.731 4.766 204 3HD2 LEU 28 HD23 LEU 28 6.567 -9.359 6.475 205 H PHE 29 HN PHE 29 2.054 -6.326 6.470 206 HA PHE 29 HA PHE 29 2.507 -3.640 5.881 207 1HB PHE 29 HB2 PHE 29 0.045 -5.055 6.866 208 2HB PHE 29 HB1 PHE 29 0.050 -3.343 6.448 209 HD1 PHE 29 HD1 PHE 29 -0.640 -2.803 4.348 210 HD2 PHE 29 HD2 PHE 29 1.228 -6.563 4.995 211 HE1 PHE 29 HE1 PHE 29 -0.962 -3.365 1.983 212 HE2 PHE 29 HE2 PHE 29 0.910 -7.135 2.638 213 HZ PHE 29 HZ PHE 29 -0.187 -5.536 1.114 214 H LYS 30 HN LYS 30 0.983 -4.806 8.877 215 HA LYS 30 HA LYS 30 0.879 -2.493 10.276 216 1HB LYS 30 HB2 LYS 30 1.608 -5.219 11.332 217 2HB LYS 30 HB1 LYS 30 1.253 -3.845 12.371 218 1HG LYS 30 HG2 LYS 30 -0.974 -3.680 11.241 219 2HG LYS 30 HG1 LYS 30 -0.602 -5.201 10.431 220 1HD LYS 30 HD2 LYS 30 -1.953 -5.635 12.386 221 2HD LYS 30 HD1 LYS 30 -0.326 -6.270 12.643 222 1HE LYS 30 HE2 LYS 30 -1.177 -5.115 14.630 223 2HE LYS 30 HE1 LYS 30 0.250 -4.316 13.969 224 1HZ LYS 30 HZ1 LYS 30 -1.129 -2.546 14.322 225 2HZ LYS 30 HZ2 LYS 30 -2.543 -3.414 13.991 226 3HZ LYS 30 HZ3 LYS 30 -1.541 -2.914 12.723 227 H MET 31 HN MET 31 3.805 -4.287 9.588 228 HA MET 31 HA MET 31 5.372 -2.602 11.367 229 1HB MET 31 HB2 MET 31 5.952 -4.957 11.264 230 2HB MET 31 HB1 MET 31 6.203 -4.846 9.526 231 1HG MET 31 HG2 MET 31 8.077 -3.341 9.873 232 2HG MET 31 HG1 MET 31 7.811 -3.391 11.614 233 1HE MET 31 HE1 MET 31 8.074 -7.211 12.173 234 2HE MET 31 HE2 MET 31 7.241 -5.711 12.579 235 3HE MET 31 HE3 MET 31 8.899 -5.973 13.121 236 H ILE 32 HN ILE 32 4.720 -2.924 7.926 237 HA ILE 32 HA ILE 32 6.789 -0.959 7.289 238 HB ILE 32 HB ILE 32 4.935 -2.505 5.469 239 1HG1 ILE 32 HG12 ILE 32 6.639 -3.907 6.535 240 2HG1 ILE 32 HG11 ILE 32 6.973 -3.720 4.817 241 1HG2 ILE 32 HG21 ILE 32 7.323 -0.947 4.555 242 2HG2 ILE 32 HG22 ILE 32 5.753 -0.166 4.740 243 3HG2 ILE 32 HG23 ILE 32 5.938 -1.518 3.623 244 1HD1 ILE 32 HD11 ILE 32 8.333 -2.221 7.045 245 2HD1 ILE 32 HD12 ILE 32 8.677 -2.055 5.323 246 3HD1 ILE 32 HD13 ILE 32 9.005 -3.581 6.146 247 H ASP 33 HN ASP 33 3.402 -1.444 6.361 248 HA ASP 33 HA ASP 33 2.806 1.098 5.523 249 1HB ASP 33 HB2 ASP 33 1.300 -0.861 5.320 250 2HB ASP 33 HB1 ASP 33 0.984 -0.783 7.049 251 H THR 34 HN THR 34 3.481 2.842 6.640 252 HA THR 34 HA THR 34 3.642 3.066 9.428 253 HB THR 34 HB THR 34 3.315 5.264 7.370 254 HG1 THR 34 HG1 THR 34 5.188 4.487 6.802 255 1HG2 THR 34 HG21 THR 34 3.608 5.391 10.229 256 2HG2 THR 34 HG22 THR 34 3.332 6.685 9.063 257 3HG2 THR 34 HG23 THR 34 4.975 6.146 9.410 258 H ASP 35 HN ASP 35 1.038 3.071 7.321 259 HA ASP 35 HA ASP 35 -0.729 4.457 9.177 260 1HB ASP 35 HB2 ASP 35 -1.180 3.535 6.348 261 2HB ASP 35 HB1 ASP 35 -2.364 4.379 7.334 262 H ASN 36 HN ASN 36 0.141 1.270 8.200 263 HA ASN 36 HA ASN 36 -0.810 -0.770 8.618 264 1HB ASN 36 HB2 ASN 36 -2.020 0.691 10.983 265 2HB ASN 36 HB1 ASN 36 -1.807 -1.051 10.833 266 1HD2 ASN 36 HD21 ASN 36 -0.207 -1.770 12.010 267 2HD2 ASN 36 HD22 ASN 36 1.283 -0.955 12.325 268 H SER 37 HN SER 37 -2.341 1.468 7.185 269 HA SER 37 HA SER 37 -5.116 1.034 7.670 270 1HB SER 37 HB2 SER 37 -3.818 2.049 5.125 271 2HB SER 37 HB1 SER 37 -5.483 2.310 5.641 272 HG SER 37 HG SER 37 -4.789 3.672 7.214 273 H GLY 38 HN GLY 38 -2.664 -0.679 6.173 274 1HA GLY 38 HA2 GLY 38 -2.976 -2.965 5.505 275 2HA GLY 38 HA1 GLY 38 -4.627 -2.572 5.042 276 H THR 39 HN THR 39 -2.680 -0.113 4.055 277 HA THR 39 HA THR 39 -1.976 -1.334 1.494 278 HB THR 39 HB THR 39 -2.916 0.612 0.282 279 HG1 THR 39 HG1 THR 39 -3.763 2.230 1.314 280 1HG2 THR 39 HG21 THR 39 -5.360 -0.114 1.630 281 2HG2 THR 39 HG22 THR 39 -4.364 -1.525 1.274 282 3HG2 THR 39 HG23 THR 39 -4.842 -0.433 -0.025 283 H ILE 40 HN ILE 40 -0.086 -0.590 0.671 284 HA ILE 40 HA ILE 40 1.281 1.458 2.269 285 HB ILE 40 HB ILE 40 2.316 -0.792 0.555 286 1HG1 ILE 40 HG12 ILE 40 2.999 0.001 3.388 287 2HG1 ILE 40 HG11 ILE 40 1.715 -1.139 2.988 288 1HG2 ILE 40 HG21 ILE 40 3.858 0.735 -0.137 289 2HG2 ILE 40 HG22 ILE 40 4.606 0.252 1.385 290 3HG2 ILE 40 HG23 ILE 40 3.669 1.743 1.297 291 1HD1 ILE 40 HD11 ILE 40 4.663 -1.447 2.507 292 2HD1 ILE 40 HD12 ILE 40 3.445 -2.526 1.826 293 3HD1 ILE 40 HD13 ILE 40 3.630 -2.398 3.575 294 H THR 41 HN THR 41 2.032 3.304 1.374 295 HA THR 41 HA THR 41 1.768 3.638 -1.536 296 HB THR 41 HB THR 41 0.989 5.735 0.490 297 HG1 THR 41 HG1 THR 41 -0.558 3.792 -0.845 298 1HG2 THR 41 HG21 THR 41 -0.315 6.605 -1.507 299 2HG2 THR 41 HG22 THR 41 0.720 5.564 -2.484 300 3HG2 THR 41 HG23 THR 41 1.431 6.849 -1.507 301 H PHE 42 HN PHE 42 2.949 5.485 -2.360 302 HA PHE 42 HA PHE 42 5.628 5.494 -1.889 303 1HB PHE 42 HB2 PHE 42 4.745 6.359 -3.922 304 2HB PHE 42 HB1 PHE 42 3.793 7.571 -3.078 305 HD1 PHE 42 HD1 PHE 42 7.338 6.553 -3.605 306 HD2 PHE 42 HD2 PHE 42 4.568 9.717 -2.982 307 HE1 PHE 42 HE1 PHE 42 9.140 8.190 -3.927 308 HE2 PHE 42 HE2 PHE 42 6.364 11.359 -3.302 309 HZ PHE 42 HZ PHE 42 8.660 10.600 -3.779 310 H ASP 43 HN ASP 43 3.168 7.435 -0.310 311 HA ASP 43 HA ASP 43 4.888 9.343 0.872 312 1HB ASP 43 HB2 ASP 43 2.446 9.663 0.662 313 2HB ASP 43 HB1 ASP 43 2.185 8.370 1.828 314 H GLU 44 HN GLU 44 3.263 6.530 2.308 315 HA GLU 44 HA GLU 44 4.852 6.613 4.690 316 1HB GLU 44 HB2 GLU 44 3.677 4.544 5.260 317 2HB GLU 44 HB1 GLU 44 2.543 5.753 4.671 318 1HG GLU 44 HG2 GLU 44 2.522 4.696 2.492 319 2HG GLU 44 HG1 GLU 44 3.678 3.490 3.052 320 H LEU 45 HN LEU 45 5.217 5.336 1.567 321 HA LEU 45 HA LEU 45 6.665 3.023 1.939 322 1HB LEU 45 HB2 LEU 45 5.866 3.862 -0.246 323 2HB LEU 45 HB1 LEU 45 7.142 5.067 -0.221 324 HG LEU 45 HG LEU 45 8.816 3.218 -0.141 325 1HD1 LEU 45 HD11 LEU 45 6.335 1.635 -0.060 326 2HD1 LEU 45 HD12 LEU 45 7.935 1.280 0.592 327 3HD1 LEU 45 HD13 LEU 45 7.606 1.029 -1.123 328 1HD2 LEU 45 HD21 LEU 45 6.917 3.330 -2.473 329 2HD2 LEU 45 HD22 LEU 45 8.485 2.524 -2.513 330 3HD2 LEU 45 HD23 LEU 45 8.395 4.264 -2.243 331 H LYS 46 HN LYS 46 8.105 6.162 1.121 332 HA LYS 46 HA LYS 46 10.736 5.518 1.686 333 1HB LYS 46 HB2 LYS 46 11.164 7.907 1.751 334 2HB LYS 46 HB1 LYS 46 10.031 7.530 0.460 335 1HG LYS 46 HG2 LYS 46 8.178 8.262 1.881 336 2HG LYS 46 HG1 LYS 46 9.329 8.653 3.162 337 1HD LYS 46 HD2 LYS 46 10.424 10.262 1.638 338 2HD LYS 46 HD1 LYS 46 9.203 9.901 0.415 339 1HE LYS 46 HE2 LYS 46 8.664 11.046 3.153 340 2HE LYS 46 HE1 LYS 46 8.697 11.964 1.648 341 1HZ LYS 46 HZ1 LYS 46 6.811 9.762 2.293 342 2HZ LYS 46 HZ2 LYS 46 6.843 10.632 0.844 343 3HZ LYS 46 HZ3 LYS 46 6.440 11.412 2.290 344 H ASP 47 HN ASP 47 8.250 6.752 3.855 345 HA ASP 47 HA ASP 47 9.660 7.516 6.053 346 1HB ASP 47 HB2 ASP 47 7.103 5.907 6.035 347 2HB ASP 47 HB1 ASP 47 7.720 6.818 7.409 348 H GLY 48 HN GLY 48 9.689 4.378 4.735 349 1HA GLY 48 HA2 GLY 48 10.292 3.041 7.240 350 2HA GLY 48 HA1 GLY 48 10.229 2.299 5.651 351 H LEU 49 HN LEU 49 12.056 3.338 4.150 352 HA LEU 49 HA LEU 49 14.536 2.656 5.490 353 1HB LEU 49 HB2 LEU 49 14.013 3.414 2.613 354 2HB LEU 49 HB1 LEU 49 15.522 2.783 3.244 355 HG LEU 49 HG LEU 49 12.900 1.284 3.176 356 1HD1 LEU 49 HD11 LEU 49 14.431 1.824 1.033 357 2HD1 LEU 49 HD12 LEU 49 13.513 0.330 1.229 358 3HD1 LEU 49 HD13 LEU 49 15.232 0.368 1.624 359 1HD2 LEU 49 HD21 LEU 49 14.016 0.340 4.960 360 2HD2 LEU 49 HD22 LEU 49 15.608 0.651 4.267 361 3HD2 LEU 49 HD23 LEU 49 14.600 -0.641 3.616 362 H LYS 50 HN LYS 50 12.835 5.454 4.538 363 HA LYS 50 HA LYS 50 15.151 7.170 4.547 364 1HB LYS 50 HB2 LYS 50 12.221 7.700 4.127 365 2HB LYS 50 HB1 LYS 50 13.403 8.996 4.241 366 1HG LYS 50 HG2 LYS 50 12.880 8.425 1.920 367 2HG LYS 50 HG1 LYS 50 14.578 8.142 2.303 368 1HD LYS 50 HD2 LYS 50 14.081 5.744 2.608 369 2HD LYS 50 HD1 LYS 50 12.404 6.052 2.155 370 1HE LYS 50 HE2 LYS 50 13.123 6.812 -0.040 371 2HE LYS 50 HE1 LYS 50 14.809 6.566 0.410 372 1HZ LYS 50 HZ1 LYS 50 12.733 4.569 -0.171 373 2HZ LYS 50 HZ2 LYS 50 14.002 4.160 0.869 374 3HZ LYS 50 HZ3 LYS 50 14.332 4.644 -0.718 375 H ARG 51 HN ARG 51 12.972 5.930 6.798 376 HA ARG 51 HA ARG 51 12.473 7.849 8.652 377 1HB ARG 51 HB2 ARG 51 11.755 5.544 8.927 378 2HB ARG 51 HB1 ARG 51 13.415 5.019 9.153 379 1HG ARG 51 HG2 ARG 51 12.195 7.010 11.021 380 2HG ARG 51 HG1 ARG 51 11.869 5.286 11.205 381 1HD ARG 51 HD2 ARG 51 14.284 4.859 11.344 382 2HD ARG 51 HD1 ARG 51 14.592 6.587 11.193 383 HE ARG 51 HE ARG 51 13.942 5.208 13.560 384 1HH1 ARG 51 HH11 ARG 51 13.242 8.183 11.885 385 2HH1 ARG 51 HH12 ARG 51 12.888 9.063 13.333 386 1HH2 ARG 51 HH21 ARG 51 13.477 6.359 15.469 387 2HH2 ARG 51 HH22 ARG 51 13.022 8.027 15.370 388 H VAL 52 HN VAL 52 15.566 6.309 8.008 389 HA VAL 52 HA VAL 52 16.824 7.915 10.115 390 HB VAL 52 HB VAL 52 18.814 6.510 9.768 391 1HG1 VAL 52 HG11 VAL 52 16.348 5.747 10.895 392 2HG1 VAL 52 HG12 VAL 52 17.961 5.175 11.321 393 3HG1 VAL 52 HG13 VAL 52 17.013 4.316 10.106 394 1HG2 VAL 52 HG21 VAL 52 17.669 5.946 7.308 395 2HG2 VAL 52 HG22 VAL 52 17.513 4.439 8.212 396 3HG2 VAL 52 HG23 VAL 52 19.099 5.180 8.001 397 H GLY 53 HN GLY 53 16.511 7.662 6.689 398 1HA GLY 53 HA2 GLY 53 17.349 8.931 4.966 399 2HA GLY 53 HA1 GLY 53 17.662 10.163 6.180 400 H SER 54 HN SER 54 19.027 6.918 5.691 401 HA SER 54 HA SER 54 21.668 7.858 6.246 402 1HB SER 54 HB2 SER 54 20.970 5.608 6.903 403 2HB SER 54 HB1 SER 54 20.724 5.176 5.211 404 HG SER 54 HG SER 54 22.733 4.454 5.719 405 H GLU 55 HN GLU 55 20.942 5.779 3.486 406 HA GLU 55 HA GLU 55 22.485 7.636 1.799 407 1HB GLU 55 HB2 GLU 55 23.562 5.444 2.297 408 2HB GLU 55 HB1 GLU 55 22.219 4.640 1.502 409 1HG GLU 55 HG2 GLU 55 23.886 6.666 0.061 410 2HG GLU 55 HG1 GLU 55 24.399 4.986 0.201 411 H LEU 56 HN LEU 56 19.442 6.125 2.210 412 HA LEU 56 HA LEU 56 18.495 5.714 -0.327 413 1HB LEU 56 HB2 LEU 56 17.070 6.895 2.042 414 2HB LEU 56 HB1 LEU 56 16.262 6.433 0.552 415 HG LEU 56 HG LEU 56 15.988 4.725 2.256 416 1HD1 LEU 56 HD11 LEU 56 16.354 4.185 -0.227 417 2HD1 LEU 56 HD12 LEU 56 16.439 2.867 0.942 418 3HD1 LEU 56 HD13 LEU 56 17.922 3.567 0.293 419 1HD2 LEU 56 HD21 LEU 56 18.052 5.191 3.519 420 2HD2 LEU 56 HD22 LEU 56 18.978 4.410 2.238 421 3HD2 LEU 56 HD23 LEU 56 17.817 3.476 3.182 422 H MET 57 HN MET 57 17.408 6.884 -1.840 423 HA MET 57 HA MET 57 17.688 9.802 -1.681 424 1HB MET 57 HB2 MET 57 19.380 8.740 -3.209 425 2HB MET 57 HB1 MET 57 18.046 8.147 -4.187 426 1HG MET 57 HG2 MET 57 17.344 10.434 -4.639 427 2HG MET 57 HG1 MET 57 18.658 11.043 -3.636 428 1HE MET 57 HE1 MET 57 21.257 10.738 -4.267 429 2HE MET 57 HE2 MET 57 21.800 9.856 -5.694 430 3HE MET 57 HE3 MET 57 20.986 9.000 -4.385 431 H GLU 58 HN GLU 58 15.908 10.907 -2.152 432 HA GLU 58 HA GLU 58 13.385 9.809 -2.184 433 1HB GLU 58 HB2 GLU 58 13.864 12.170 -1.703 434 2HB GLU 58 HB1 GLU 58 14.252 12.440 -3.396 435 1HG GLU 58 HG2 GLU 58 11.940 11.877 -3.999 436 2HG GLU 58 HG1 GLU 58 11.563 11.662 -2.290 437 H SER 59 HN SER 59 15.621 9.665 -4.662 438 HA SER 59 HA SER 59 13.735 9.697 -6.860 439 1HB SER 59 HB2 SER 59 15.694 9.203 -8.265 440 2HB SER 59 HB1 SER 59 15.996 10.576 -7.200 441 HG SER 59 HG SER 59 17.367 8.306 -7.395 442 H GLU 60 HN GLU 60 15.645 7.267 -5.113 443 HA GLU 60 HA GLU 60 14.972 5.089 -6.763 444 1HB GLU 60 HB2 GLU 60 16.845 5.026 -5.181 445 2HB GLU 60 HB1 GLU 60 15.719 5.107 -3.833 446 1HG GLU 60 HG2 GLU 60 14.779 2.951 -4.479 447 2HG GLU 60 HG1 GLU 60 15.898 2.869 -5.839 448 H ILE 61 HN ILE 61 13.236 6.734 -4.263 449 HA ILE 61 HA ILE 61 11.454 4.698 -3.495 450 HB ILE 61 HB ILE 61 10.577 7.560 -3.611 451 1HG1 ILE 61 HG12 ILE 61 12.511 6.400 -1.589 452 2HG1 ILE 61 HG11 ILE 61 12.930 7.575 -2.832 453 1HG2 ILE 61 HG21 ILE 61 9.655 6.899 -1.363 454 2HG2 ILE 61 HG22 ILE 61 10.172 5.251 -1.720 455 3HG2 ILE 61 HG23 ILE 61 8.970 6.039 -2.742 456 1HD1 ILE 61 HD11 ILE 61 12.546 8.465 -0.500 457 2HD1 ILE 61 HD12 ILE 61 10.837 8.112 -0.752 458 3HD1 ILE 61 HD13 ILE 61 11.663 9.264 -1.801 459 H LYS 62 HN LYS 62 11.599 6.675 -6.330 460 HA LYS 62 HA LYS 62 8.872 6.428 -7.133 461 1HB LYS 62 HB2 LYS 62 11.199 6.816 -9.004 462 2HB LYS 62 HB1 LYS 62 9.554 7.426 -9.161 463 1HG LYS 62 HG2 LYS 62 11.470 8.273 -7.021 464 2HG LYS 62 HG1 LYS 62 11.240 9.147 -8.542 465 1HD LYS 62 HD2 LYS 62 8.878 9.480 -7.989 466 2HD LYS 62 HD1 LYS 62 9.100 8.590 -6.482 467 1HE LYS 62 HE2 LYS 62 9.125 11.000 -6.096 468 2HE LYS 62 HE1 LYS 62 10.684 10.273 -5.709 469 1HZ LYS 62 HZ1 LYS 62 11.232 10.938 -8.144 470 2HZ LYS 62 HZ2 LYS 62 11.307 12.099 -6.917 471 3HZ LYS 62 HZ3 LYS 62 9.963 12.039 -7.942 472 H ASP 63 HN ASP 63 11.812 4.994 -8.522 473 HA ASP 63 HA ASP 63 10.498 3.012 -10.011 474 1HB ASP 63 HB2 ASP 63 12.854 3.699 -10.387 475 2HB ASP 63 HB1 ASP 63 13.302 2.960 -8.854 476 H LEU 64 HN LEU 64 11.049 3.406 -6.690 477 HA LEU 64 HA LEU 64 10.984 0.602 -5.988 478 1HB LEU 64 HB2 LEU 64 12.171 2.315 -4.631 479 2HB LEU 64 HB1 LEU 64 10.619 3.029 -4.233 480 HG LEU 64 HG LEU 64 9.954 0.943 -3.095 481 1HD1 LEU 64 HD11 LEU 64 11.990 -0.212 -4.553 482 2HD1 LEU 64 HD12 LEU 64 11.097 -0.965 -3.232 483 3HD1 LEU 64 HD13 LEU 64 12.633 -0.161 -2.912 484 1HD2 LEU 64 HD21 LEU 64 10.707 2.125 -1.366 485 2HD2 LEU 64 HD22 LEU 64 12.081 2.740 -2.286 486 3HD2 LEU 64 HD23 LEU 64 12.187 1.173 -1.482 487 H MET 65 HN MET 65 8.703 3.329 -5.795 488 HA MET 65 HA MET 65 6.591 1.587 -4.836 489 1HB MET 65 HB2 MET 65 7.069 4.078 -4.192 490 2HB MET 65 HB1 MET 65 6.165 4.435 -5.655 491 1HG MET 65 HG2 MET 65 5.149 2.800 -3.344 492 2HG MET 65 HG1 MET 65 4.780 4.499 -3.630 493 1HE MET 65 HE1 MET 65 2.087 1.835 -3.826 494 2HE MET 65 HE2 MET 65 1.458 3.427 -4.248 495 3HE MET 65 HE3 MET 65 2.674 3.268 -2.982 496 H ASP 66 HN ASP 66 6.999 3.774 -7.628 497 HA ASP 66 HA ASP 66 4.705 3.166 -9.008 498 1HB ASP 66 HB2 ASP 66 6.282 4.947 -9.655 499 2HB ASP 66 HB1 ASP 66 7.423 3.727 -10.212 500 H ALA 67 HN ALA 67 7.766 1.389 -9.030 501 HA ALA 67 HA ALA 67 6.789 -0.519 -10.969 502 1HB ALA 67 HB1 ALA 67 8.941 -0.958 -11.283 503 2HB ALA 67 HB2 ALA 67 9.153 -1.395 -9.587 504 3HB ALA 67 HB3 ALA 67 9.314 0.287 -10.090 505 H ALA 68 HN ALA 68 6.664 -0.145 -7.582 506 HA ALA 68 HA ALA 68 6.669 -2.826 -6.734 507 1HB ALA 68 HB1 ALA 68 5.499 -1.997 -4.732 508 2HB ALA 68 HB2 ALA 68 5.263 -0.444 -5.534 509 3HB ALA 68 HB3 ALA 68 6.892 -1.003 -5.157 510 H ASP 69 HN ASP 69 3.882 -0.677 -7.365 511 HA ASP 69 HA ASP 69 2.254 -3.096 -7.745 512 1HB ASP 69 HB2 ASP 69 0.323 -1.854 -7.085 513 2HB ASP 69 HB1 ASP 69 1.577 -1.527 -5.896 514 H ILE 70 HN ILE 70 1.472 -3.512 -9.677 515 HA ILE 70 HA ILE 70 2.044 -1.732 -11.879 516 HB ILE 70 HB ILE 70 2.418 -4.175 -12.048 517 1HG1 ILE 70 HG12 ILE 70 0.342 -3.118 -13.981 518 2HG1 ILE 70 HG11 ILE 70 2.067 -2.778 -14.064 519 1HG2 ILE 70 HG21 ILE 70 -0.061 -4.384 -10.881 520 2HG2 ILE 70 HG22 ILE 70 0.855 -5.705 -11.607 521 3HG2 ILE 70 HG23 ILE 70 -0.366 -4.853 -12.553 522 1HD1 ILE 70 HD11 ILE 70 2.314 -5.350 -14.180 523 2HD1 ILE 70 HD12 ILE 70 1.802 -4.460 -15.613 524 3HD1 ILE 70 HD13 ILE 70 0.611 -5.317 -14.636 525 H ASP 71 HN ASP 71 -0.514 -2.331 -9.779 526 HA ASP 71 HA ASP 71 -2.778 -1.965 -11.377 527 1HB ASP 71 HB2 ASP 71 -2.818 -2.709 -9.018 528 2HB ASP 71 HB1 ASP 71 -2.330 -1.097 -8.511 529 H LYS 72 HN LYS 72 -0.319 0.227 -10.410 530 HA LYS 72 HA LYS 72 0.028 2.454 -10.747 531 1HB LYS 72 HB2 LYS 72 -2.214 2.234 -12.764 532 2HB LYS 72 HB1 LYS 72 -0.961 3.467 -12.710 533 1HG LYS 72 HG2 LYS 72 -0.489 0.539 -13.218 534 2HG LYS 72 HG1 LYS 72 -0.579 1.789 -14.454 535 1HD LYS 72 HD2 LYS 72 1.356 2.911 -13.476 536 2HD LYS 72 HD1 LYS 72 1.431 1.687 -12.206 537 1HE LYS 72 HE2 LYS 72 3.069 1.248 -13.967 538 2HE LYS 72 HE1 LYS 72 1.863 -0.035 -13.874 539 1HZ LYS 72 HZ1 LYS 72 2.109 2.097 -15.910 540 2HZ LYS 72 HZ2 LYS 72 0.682 1.209 -15.715 541 3HZ LYS 72 HZ3 LYS 72 2.117 0.420 -16.139 542 H SER 73 HN SER 73 -2.272 1.309 -9.061 543 HA SER 73 HA SER 73 -4.212 3.430 -8.961 544 1HB SER 73 HB2 SER 73 -5.104 2.237 -7.003 545 2HB SER 73 HB1 SER 73 -4.827 1.135 -8.352 546 HG SER 73 HG SER 73 -3.691 1.177 -5.874 547 H GLY 74 HN GLY 74 -1.081 3.416 -8.059 548 1HA GLY 74 HA2 GLY 74 0.096 5.007 -6.849 549 2HA GLY 74 HA1 GLY 74 -1.436 5.695 -6.331 550 H THR 75 HN THR 75 -1.759 2.541 -5.679 551 HA THR 75 HA THR 75 -0.330 2.572 -3.127 552 HB THR 75 HB THR 75 -2.378 1.799 -1.944 553 HG1 THR 75 HG1 THR 75 -4.068 2.782 -3.868 554 1HG2 THR 75 HG21 THR 75 -2.004 4.487 -2.974 555 2HG2 THR 75 HG22 THR 75 -2.427 3.938 -1.353 556 3HG2 THR 75 HG23 THR 75 -3.683 4.124 -2.576 557 H ILE 76 HN ILE 76 0.509 0.622 -2.622 558 HA ILE 76 HA ILE 76 -0.051 -1.575 -4.456 559 HB ILE 76 HB ILE 76 2.304 -0.940 -4.045 560 1HG1 ILE 76 HG12 ILE 76 1.581 -3.704 -3.038 561 2HG1 ILE 76 HG11 ILE 76 1.692 -3.238 -4.733 562 1HG2 ILE 76 HG21 ILE 76 1.613 -0.617 -1.465 563 2HG2 ILE 76 HG22 ILE 76 3.273 -0.862 -2.007 564 3HG2 ILE 76 HG23 ILE 76 2.337 -2.224 -1.392 565 1HD1 ILE 76 HD11 ILE 76 3.729 -4.193 -3.033 566 2HD1 ILE 76 HD12 ILE 76 4.122 -2.525 -3.453 567 3HD1 ILE 76 HD13 ILE 76 3.845 -3.714 -4.726 568 H ASP 77 HN ASP 77 -0.814 -3.537 -3.879 569 HA ASP 77 HA ASP 77 -1.826 -3.802 -1.125 570 1HB ASP 77 HB2 ASP 77 -2.858 -5.051 -3.683 571 2HB ASP 77 HB1 ASP 77 -3.517 -5.344 -2.076 572 H TYR 78 HN TYR 78 -2.054 -6.150 -0.430 573 HA TYR 78 HA TYR 78 0.513 -7.385 -0.601 574 1HB TYR 78 HB2 TYR 78 -0.922 -7.436 1.440 575 2HB TYR 78 HB1 TYR 78 -2.029 -8.508 0.589 576 HD1 TYR 78 HD1 TYR 78 -1.860 -10.700 1.279 577 HD2 TYR 78 HD2 TYR 78 1.678 -8.349 1.069 578 HE1 TYR 78 HE1 TYR 78 -0.534 -12.639 2.007 579 HE2 TYR 78 HE2 TYR 78 3.013 -10.279 1.797 580 HH TYR 78 HH TYR 78 2.263 -13.215 1.598 581 H GLY 79 HN GLY 79 -2.602 -7.932 -2.089 582 1HA GLY 79 HA2 GLY 79 -1.993 -10.536 -3.095 583 2HA GLY 79 HA1 GLY 79 -3.337 -9.520 -3.588 584 H GLU 80 HN GLU 80 -1.427 -7.302 -4.263 585 HA GLU 80 HA GLU 80 -0.866 -8.239 -6.956 586 1HB GLU 80 HB2 GLU 80 -2.004 -6.077 -6.593 587 2HB GLU 80 HB1 GLU 80 -0.578 -5.480 -5.756 588 1HG GLU 80 HG2 GLU 80 0.714 -5.526 -7.738 589 2HG GLU 80 HG1 GLU 80 -0.527 -6.431 -8.604 590 H PHE 81 HN PHE 81 0.868 -6.892 -4.192 591 HA PHE 81 HA PHE 81 3.413 -6.714 -5.308 592 1HB PHE 81 HB2 PHE 81 2.829 -5.749 -3.133 593 2HB PHE 81 HB1 PHE 81 2.642 -7.362 -2.454 594 HD1 PHE 81 HD1 PHE 81 4.314 -7.788 -0.950 595 HD2 PHE 81 HD2 PHE 81 5.272 -5.768 -4.571 596 HE1 PHE 81 HE1 PHE 81 6.694 -7.799 -0.323 597 HE2 PHE 81 HE2 PHE 81 7.654 -5.777 -3.952 598 HZ PHE 81 HZ PHE 81 8.367 -6.793 -1.825 599 H ILE 82 HN ILE 82 1.813 -9.449 -3.720 600 HA ILE 82 HA ILE 82 4.043 -11.184 -3.755 601 HB ILE 82 HB ILE 82 2.109 -11.573 -2.304 602 1HG1 ILE 82 HG12 ILE 82 2.555 -13.821 -4.283 603 2HG1 ILE 82 HG11 ILE 82 3.593 -13.453 -2.910 604 1HG2 ILE 82 HG21 ILE 82 0.044 -12.561 -3.291 605 2HG2 ILE 82 HG22 ILE 82 0.664 -12.139 -4.887 606 3HG2 ILE 82 HG23 ILE 82 0.308 -10.870 -3.715 607 1HD1 ILE 82 HD11 ILE 82 0.703 -14.263 -2.711 608 2HD1 ILE 82 HD12 ILE 82 1.825 -14.013 -1.374 609 3HD1 ILE 82 HD13 ILE 82 2.080 -15.345 -2.501 610 H ALA 83 HN ALA 83 1.599 -10.406 -6.129 611 HA ALA 83 HA ALA 83 1.886 -12.610 -7.834 612 1HB ALA 83 HB1 ALA 83 1.106 -9.764 -8.433 613 2HB ALA 83 HB2 ALA 83 0.035 -11.129 -8.118 614 3HB ALA 83 HB3 ALA 83 0.995 -11.085 -9.597 615 H ALA 84 HN ALA 84 3.839 -9.736 -7.434 616 HA ALA 84 HA ALA 84 5.686 -10.786 -9.475 617 1HB ALA 84 HB1 ALA 84 5.361 -8.926 -10.650 618 2HB ALA 84 HB2 ALA 84 6.161 -8.047 -9.347 619 3HB ALA 84 HB3 ALA 84 4.405 -8.202 -9.357 620 H THR 85 HN THR 85 7.283 -11.651 -8.289 621 HA THR 85 HA THR 85 8.754 -9.879 -6.495 622 HB THR 85 HB THR 85 7.270 -11.093 -5.000 623 HG1 THR 85 HG1 THR 85 9.855 -11.048 -4.810 624 1HG2 THR 85 HG21 THR 85 7.572 -13.565 -4.734 625 2HG2 THR 85 HG22 THR 85 8.380 -13.559 -6.302 626 3HG2 THR 85 HG23 THR 85 6.693 -13.058 -6.177 627 H VAL 86 HN VAL 86 8.577 -12.833 -8.371 628 HA VAL 86 HA VAL 86 10.145 -14.107 -9.416 629 HB VAL 86 HB VAL 86 11.867 -11.632 -9.216 630 1HG1 VAL 86 HG11 VAL 86 12.219 -13.209 -11.591 631 2HG1 VAL 86 HG12 VAL 86 12.470 -14.202 -10.155 632 3HG1 VAL 86 HG13 VAL 86 13.409 -12.726 -10.382 633 1HG2 VAL 86 HG21 VAL 86 10.687 -12.020 -11.789 634 2HG2 VAL 86 HG22 VAL 86 10.535 -10.646 -10.693 635 3HG2 VAL 86 HG23 VAL 86 9.418 -12.005 -10.564 636 H HIS 87 HN HIS 87 10.529 -15.631 -7.824 637 HA HIS 87 HA HIS 87 13.016 -15.236 -6.301 638 1HB HIS 87 HB2 HIS 87 11.136 -15.084 -4.753 639 2HB HIS 87 HB1 HIS 87 10.502 -16.619 -5.339 640 HD1 HIS 87 HD1 HIS 87 13.866 -15.490 -3.931 641 HD2 HIS 87 HD2 HIS 87 11.098 -18.570 -3.583 642 HE1 HIS 87 HE1 HIS 87 14.818 -17.058 -2.211 643 HE2 HIS 87 HE2 HIS 87 13.099 -18.886 -1.976 Start of MODEL 10 1 1H HIS 1 HT1 HIS 1 -17.332 0.841 -7.214 2 2H HIS 1 HT2 HIS 1 -16.276 -0.473 -7.087 3 3H HIS 1 HT3 HIS 1 -16.167 0.574 -8.411 4 HA HIS 1 HA HIS 1 -14.644 0.725 -6.203 5 1HB HIS 1 HB2 HIS 1 -15.485 2.935 -8.096 6 2HB HIS 1 HB1 HIS 1 -14.051 2.975 -7.075 7 HD1 HIS 1 HD1 HIS 1 -15.459 0.543 -9.658 8 HD2 HIS 1 HD2 HIS 1 -11.869 2.278 -8.490 9 HE1 HIS 1 HE1 HIS 1 -13.731 -0.350 -11.252 10 HE2 HIS 1 HE2 HIS 1 -11.582 0.781 -10.579 11 H SER 2 HN SER 2 -15.585 0.742 -4.195 12 HA SER 2 HA SER 2 -17.631 2.632 -3.488 13 1HB SER 2 HB2 SER 2 -17.559 0.421 -2.429 14 2HB SER 2 HB1 SER 2 -15.975 0.789 -1.747 15 HG SER 2 HG SER 2 -17.748 2.725 -1.133 16 H SER 3 HN SER 3 -17.454 4.419 -2.147 17 HA SER 3 HA SER 3 -15.112 5.958 -2.386 18 1HB SER 3 HB2 SER 3 -17.317 6.984 -2.119 19 2HB SER 3 HB1 SER 3 -17.455 6.304 -0.498 20 HG SER 3 HG SER 3 -15.153 7.681 -0.751 21 H GLY 4 HN GLY 4 -15.976 3.507 -0.177 22 1HA GLY 4 HA2 GLY 4 -13.457 3.593 1.126 23 2HA GLY 4 HA1 GLY 4 -14.701 4.260 2.173 24 H HIS 5 HN HIS 5 -13.211 1.437 1.034 25 HA HIS 5 HA HIS 5 -15.358 -0.378 1.615 26 1HB HIS 5 HB2 HIS 5 -13.636 -2.136 1.309 27 2HB HIS 5 HB1 HIS 5 -13.697 -1.002 -0.036 28 HD1 HIS 5 HD1 HIS 5 -11.701 -1.272 3.205 29 HD2 HIS 5 HD2 HIS 5 -11.220 -0.283 -0.801 30 HE1 HIS 5 HE1 HIS 5 -9.257 -0.742 2.931 31 HE2 HIS 5 HE2 HIS 5 -9.015 -0.032 0.527 32 H ILE 6 HN ILE 6 -13.530 1.491 3.577 33 HA ILE 6 HA ILE 6 -13.297 -0.499 5.719 34 HB ILE 6 HB ILE 6 -12.275 2.345 5.644 35 1HG1 ILE 6 HG12 ILE 6 -10.793 -0.274 5.309 36 2HG1 ILE 6 HG11 ILE 6 -11.142 0.872 4.019 37 1HG2 ILE 6 HG21 ILE 6 -11.372 2.043 7.725 38 2HG2 ILE 6 HG22 ILE 6 -11.281 0.290 7.553 39 3HG2 ILE 6 HG23 ILE 6 -12.832 1.065 7.880 40 1HD1 ILE 6 HD11 ILE 6 -9.862 2.515 5.659 41 2HD1 ILE 6 HD12 ILE 6 -9.021 1.496 4.491 42 3HD1 ILE 6 HD13 ILE 6 -9.129 0.998 6.179 43 H ASP 7 HN ASP 7 -15.597 -0.613 6.037 44 HA ASP 7 HA ASP 7 -16.518 1.140 8.079 45 1HB ASP 7 HB2 ASP 7 -16.960 2.583 6.128 46 2HB ASP 7 HB1 ASP 7 -17.930 1.305 5.405 47 H ASP 8 HN ASP 8 -17.784 -0.963 5.492 48 HA ASP 8 HA ASP 8 -19.162 -2.523 7.577 49 1HB ASP 8 HB2 ASP 8 -20.838 -3.117 5.840 50 2HB ASP 8 HB1 ASP 8 -20.796 -1.392 6.191 51 H ASP 9 HN ASP 9 -19.097 -4.756 7.454 52 HA ASP 9 HA ASP 9 -16.908 -5.818 5.842 53 1HB ASP 9 HB2 ASP 9 -18.474 -7.066 8.111 54 2HB ASP 9 HB1 ASP 9 -17.095 -7.806 7.302 55 H ASP 10 HN ASP 10 -19.404 -5.147 4.562 56 HA ASP 10 HA ASP 10 -20.623 -7.723 3.962 57 1HB ASP 10 HB2 ASP 10 -22.090 -5.774 4.331 58 2HB ASP 10 HB1 ASP 10 -21.333 -4.959 2.966 59 H LYS 11 HN LYS 11 -19.128 -5.040 2.216 60 HA LYS 11 HA LYS 11 -18.883 -6.587 -0.206 61 1HB LYS 11 HB2 LYS 11 -17.980 -4.580 -1.174 62 2HB LYS 11 HB1 LYS 11 -19.350 -4.144 -0.167 63 1HG LYS 11 HG2 LYS 11 -17.836 -2.506 0.364 64 2HG LYS 11 HG1 LYS 11 -17.568 -3.682 1.650 65 1HD LYS 11 HD2 LYS 11 -15.446 -2.874 0.779 66 2HD LYS 11 HD1 LYS 11 -15.649 -4.586 0.407 67 1HE LYS 11 HE2 LYS 11 -14.750 -3.387 -1.510 68 2HE LYS 11 HE1 LYS 11 -16.364 -4.004 -1.862 69 1HZ LYS 11 HZ1 LYS 11 -15.427 -1.276 -1.697 70 2HZ LYS 11 HZ2 LYS 11 -16.901 -1.551 -0.914 71 3HZ LYS 11 HZ3 LYS 11 -16.734 -1.924 -2.555 72 H HIS 12 HN HIS 12 -16.932 -5.681 2.494 73 HA HIS 12 HA HIS 12 -14.401 -6.332 1.350 74 1HB HIS 12 HB2 HIS 12 -14.720 -4.797 3.297 75 2HB HIS 12 HB1 HIS 12 -15.164 -6.191 4.274 76 HD1 HIS 12 HD1 HIS 12 -13.116 -8.161 4.119 77 HD2 HIS 12 HD2 HIS 12 -12.134 -4.155 3.630 78 HE1 HIS 12 HE1 HIS 12 -10.650 -8.011 4.591 79 HE2 HIS 12 HE2 HIS 12 -10.095 -5.563 4.369 80 H MET 13 HN MET 13 -16.947 -8.121 2.823 81 HA MET 13 HA MET 13 -15.501 -10.371 3.717 82 1HB MET 13 HB2 MET 13 -17.810 -9.953 4.400 83 2HB MET 13 HB1 MET 13 -18.359 -10.186 2.746 84 1HG MET 13 HG2 MET 13 -17.653 -12.510 2.821 85 2HG MET 13 HG1 MET 13 -17.051 -12.285 4.462 86 1HE MET 13 HE1 MET 13 -20.049 -10.562 5.804 87 2HE MET 13 HE2 MET 13 -18.422 -11.140 6.162 88 3HE MET 13 HE3 MET 13 -19.825 -12.051 6.722 89 H ALA 14 HN ALA 14 -16.644 -9.416 0.560 90 HA ALA 14 HA ALA 14 -15.991 -12.020 -0.584 91 1HB ALA 14 HB1 ALA 14 -18.056 -10.812 -1.266 92 2HB ALA 14 HB2 ALA 14 -16.990 -11.218 -2.611 93 3HB ALA 14 HB3 ALA 14 -17.036 -9.568 -1.991 94 H GLU 15 HN GLU 15 -14.473 -9.086 0.052 95 HA GLU 15 HA GLU 15 -12.360 -9.699 -1.907 96 1HB GLU 15 HB2 GLU 15 -13.250 -6.960 -1.000 97 2HB GLU 15 HB1 GLU 15 -11.912 -7.290 -2.092 98 1HG GLU 15 HG2 GLU 15 -13.478 -8.249 -3.710 99 2HG GLU 15 HG1 GLU 15 -14.815 -7.893 -2.618 100 H ARG 16 HN ARG 16 -12.680 -10.495 0.897 101 HA ARG 16 HA ARG 16 -10.903 -8.911 2.474 102 1HB ARG 16 HB2 ARG 16 -11.022 -10.903 4.045 103 2HB ARG 16 HB1 ARG 16 -12.539 -10.096 3.684 104 1HG ARG 16 HG2 ARG 16 -12.957 -12.423 3.653 105 2HG ARG 16 HG1 ARG 16 -12.978 -11.876 1.977 106 1HD ARG 16 HD2 ARG 16 -10.714 -12.707 1.660 107 2HD ARG 16 HD1 ARG 16 -10.640 -13.197 3.352 108 HE ARG 16 HE ARG 16 -11.733 -14.689 1.234 109 1HH1 ARG 16 HH11 ARG 16 -12.397 -13.836 4.549 110 2HH1 ARG 16 HH12 ARG 16 -13.300 -15.277 4.873 111 1HH2 ARG 16 HH21 ARG 16 -12.917 -16.589 1.655 112 2HH2 ARG 16 HH22 ARG 16 -13.594 -16.843 3.229 113 H LEU 17 HN LEU 17 -9.925 -10.097 -0.130 114 HA LEU 17 HA LEU 17 -7.949 -12.039 0.533 115 1HB LEU 17 HB2 LEU 17 -8.211 -10.214 -1.858 116 2HB LEU 17 HB1 LEU 17 -7.004 -11.475 -1.715 117 HG LEU 17 HG LEU 17 -8.780 -12.273 -3.108 118 1HD1 LEU 17 HD11 LEU 17 -8.964 -13.520 -0.372 119 2HD1 LEU 17 HD12 LEU 17 -7.788 -13.915 -1.626 120 3HD1 LEU 17 HD13 LEU 17 -9.499 -14.262 -1.879 121 1HD2 LEU 17 HD21 LEU 17 -11.083 -12.393 -2.420 122 2HD2 LEU 17 HD22 LEU 17 -10.524 -10.726 -2.282 123 3HD2 LEU 17 HD23 LEU 17 -10.684 -11.724 -0.837 124 H SER 18 HN SER 18 -5.729 -11.791 0.792 125 HA SER 18 HA SER 18 -4.909 -9.110 1.665 126 1HB SER 18 HB2 SER 18 -3.682 -11.815 2.255 127 2HB SER 18 HB1 SER 18 -3.095 -10.274 2.879 128 HG SER 18 HG SER 18 -4.405 -11.063 4.443 129 H GLU 19 HN GLU 19 -4.454 -8.281 -0.409 130 HA GLU 19 HA GLU 19 -2.749 -9.542 -2.271 131 1HB GLU 19 HB2 GLU 19 -2.655 -7.405 -3.404 132 2HB GLU 19 HB1 GLU 19 -4.298 -7.702 -2.855 133 1HG GLU 19 HG2 GLU 19 -2.302 -5.944 -1.445 134 2HG GLU 19 HG1 GLU 19 -3.564 -5.374 -2.535 135 H GLU 20 HN GLU 20 -2.107 -8.054 0.696 136 HA GLU 20 HA GLU 20 0.314 -6.783 0.423 137 1HB GLU 20 HB2 GLU 20 0.762 -7.418 2.747 138 2HB GLU 20 HB1 GLU 20 -0.909 -6.918 2.532 139 1HG GLU 20 HG2 GLU 20 -1.589 -9.275 2.450 140 2HG GLU 20 HG1 GLU 20 0.086 -9.749 2.729 141 H GLU 21 HN GLU 21 -0.356 -10.191 0.204 142 HA GLU 21 HA GLU 21 2.495 -10.635 -0.372 143 1HB GLU 21 HB2 GLU 21 1.984 -11.527 1.854 144 2HB GLU 21 HB1 GLU 21 0.683 -12.496 1.176 145 1HG GLU 21 HG2 GLU 21 2.306 -13.749 -0.150 146 2HG GLU 21 HG1 GLU 21 3.610 -12.779 0.533 147 H ILE 22 HN ILE 22 -0.774 -11.081 -1.266 148 HA ILE 22 HA ILE 22 -0.134 -13.183 -3.190 149 HB ILE 22 HB ILE 22 -2.800 -11.895 -2.603 150 1HG1 ILE 22 HG12 ILE 22 -1.939 -13.074 -0.642 151 2HG1 ILE 22 HG11 ILE 22 -3.287 -13.960 -1.346 152 1HG2 ILE 22 HG21 ILE 22 -3.081 -12.816 -4.695 153 2HG2 ILE 22 HG22 ILE 22 -3.525 -14.173 -3.659 154 3HG2 ILE 22 HG23 ILE 22 -1.924 -14.113 -4.396 155 1HD1 ILE 22 HD11 ILE 22 -1.080 -15.053 -2.584 156 2HD1 ILE 22 HD12 ILE 22 -1.979 -15.748 -1.236 157 3HD1 ILE 22 HD13 ILE 22 -0.541 -14.775 -0.928 158 H GLY 23 HN GLY 23 -1.174 -9.794 -3.123 159 1HA GLY 23 HA2 GLY 23 -1.186 -9.728 -6.053 160 2HA GLY 23 HA1 GLY 23 -1.770 -8.459 -4.988 161 H GLY 24 HN GLY 24 0.059 -7.578 -3.529 162 1HA GLY 24 HA2 GLY 24 1.830 -6.142 -5.098 163 2HA GLY 24 HA1 GLY 24 1.979 -6.355 -3.363 164 H LEU 25 HN LEU 25 2.075 -9.410 -4.538 165 HA LEU 25 HA LEU 25 4.936 -9.499 -4.221 166 1HB LEU 25 HB2 LEU 25 3.361 -11.182 -3.252 167 2HB LEU 25 HB1 LEU 25 3.037 -11.749 -4.876 168 HG LEU 25 HG LEU 25 4.645 -13.152 -3.565 169 1HD1 LEU 25 HD11 LEU 25 4.554 -13.109 -6.063 170 2HD1 LEU 25 HD12 LEU 25 6.109 -13.588 -5.384 171 3HD1 LEU 25 HD13 LEU 25 5.893 -11.962 -6.030 172 1HD2 LEU 25 HD21 LEU 25 6.953 -11.504 -4.064 173 2HD2 LEU 25 HD22 LEU 25 6.432 -12.291 -2.574 174 3HD2 LEU 25 HD23 LEU 25 5.816 -10.691 -2.988 175 H LYS 26 HN LYS 26 2.787 -10.831 -6.785 176 HA LYS 26 HA LYS 26 5.068 -10.822 -8.586 177 1HB LYS 26 HB2 LYS 26 3.691 -12.823 -8.443 178 2HB LYS 26 HB1 LYS 26 2.282 -11.910 -8.965 179 1HG LYS 26 HG2 LYS 26 3.311 -11.512 -11.127 180 2HG LYS 26 HG1 LYS 26 4.767 -12.362 -10.606 181 1HD LYS 26 HD2 LYS 26 3.446 -14.413 -10.308 182 2HD LYS 26 HD1 LYS 26 2.007 -13.557 -10.865 183 1HE LYS 26 HE2 LYS 26 4.522 -14.012 -12.466 184 2HE LYS 26 HE1 LYS 26 3.011 -14.902 -12.649 185 1HZ LYS 26 HZ1 LYS 26 3.722 -12.612 -13.970 186 2HZ LYS 26 HZ2 LYS 26 2.606 -12.084 -12.814 187 3HZ LYS 26 HZ3 LYS 26 2.175 -13.296 -13.911 188 H GLU 27 HN GLU 27 1.651 -9.954 -9.214 189 HA GLU 27 HA GLU 27 2.539 -8.183 -11.324 190 1HB GLU 27 HB2 GLU 27 -0.235 -8.967 -10.448 191 2HB GLU 27 HB1 GLU 27 0.143 -8.011 -11.875 192 1HG GLU 27 HG2 GLU 27 1.076 -10.830 -11.387 193 2HG GLU 27 HG1 GLU 27 -0.303 -10.374 -12.384 194 H LEU 28 HN LEU 28 0.036 -7.693 -8.840 195 HA LEU 28 HA LEU 28 -0.434 -5.077 -9.051 196 1HB LEU 28 HB2 LEU 28 -0.165 -6.691 -6.536 197 2HB LEU 28 HB1 LEU 28 -0.701 -5.024 -6.509 198 HG LEU 28 HG LEU 28 -2.618 -6.475 -6.418 199 1HD1 LEU 28 HD11 LEU 28 -2.208 -4.503 -8.384 200 2HD1 LEU 28 HD12 LEU 28 -3.729 -5.017 -7.654 201 3HD1 LEU 28 HD13 LEU 28 -3.155 -5.788 -9.133 202 1HD2 LEU 28 HD21 LEU 28 -3.158 -8.018 -8.252 203 2HD2 LEU 28 HD22 LEU 28 -1.678 -8.475 -7.411 204 3HD2 LEU 28 HD23 LEU 28 -1.589 -7.682 -8.983 205 H PHE 29 HN PHE 29 2.474 -6.383 -7.562 206 HA PHE 29 HA PHE 29 3.453 -4.104 -6.332 207 1HB PHE 29 HB2 PHE 29 4.356 -6.575 -6.490 208 2HB PHE 29 HB1 PHE 29 5.327 -5.912 -7.799 209 HD1 PHE 29 HD1 PHE 29 4.423 -3.836 -4.929 210 HD2 PHE 29 HD2 PHE 29 7.382 -6.385 -6.619 211 HE1 PHE 29 HE1 PHE 29 6.050 -3.041 -3.267 212 HE2 PHE 29 HE2 PHE 29 9.014 -5.590 -4.963 213 HZ PHE 29 HZ PHE 29 8.351 -3.917 -3.282 214 H LYS 30 HN LYS 30 4.279 -5.270 -9.593 215 HA LYS 30 HA LYS 30 5.661 -2.899 -10.330 216 1HB LYS 30 HB2 LYS 30 4.483 -4.971 -12.181 217 2HB LYS 30 HB1 LYS 30 5.816 -3.878 -12.520 218 1HG LYS 30 HG2 LYS 30 5.884 -6.058 -10.445 219 2HG LYS 30 HG1 LYS 30 6.512 -6.211 -12.085 220 1HD LYS 30 HD2 LYS 30 8.070 -4.361 -11.646 221 2HD LYS 30 HD1 LYS 30 7.453 -4.245 -9.996 222 1HE LYS 30 HE2 LYS 30 8.200 -6.516 -9.540 223 2HE LYS 30 HE1 LYS 30 8.768 -6.679 -11.201 224 1HZ LYS 30 HZ1 LYS 30 10.118 -5.600 -8.981 225 2HZ LYS 30 HZ2 LYS 30 9.941 -4.389 -10.149 226 3HZ LYS 30 HZ3 LYS 30 10.696 -5.847 -10.552 227 H MET 31 HN MET 31 2.329 -3.789 -10.355 228 HA MET 31 HA MET 31 1.599 -1.837 -12.371 229 1HB MET 31 HB2 MET 31 -0.120 -3.613 -10.636 230 2HB MET 31 HB1 MET 31 -0.708 -2.604 -11.950 231 1HG MET 31 HG2 MET 31 1.185 -4.929 -12.188 232 2HG MET 31 HG1 MET 31 -0.508 -4.893 -12.676 233 1HE MET 31 HE1 MET 31 1.948 -5.110 -15.793 234 2HE MET 31 HE2 MET 31 0.267 -5.578 -15.535 235 3HE MET 31 HE3 MET 31 1.493 -5.995 -14.337 236 H ILE 32 HN ILE 32 2.002 -1.884 -8.985 237 HA ILE 32 HA ILE 32 0.211 0.394 -8.576 238 HB ILE 32 HB ILE 32 1.825 -1.256 -6.630 239 1HG1 ILE 32 HG12 ILE 32 -0.238 -2.300 -7.449 240 2HG1 ILE 32 HG11 ILE 32 -0.382 -1.879 -5.746 241 1HG2 ILE 32 HG21 ILE 32 1.848 0.482 -5.248 242 2HG2 ILE 32 HG22 ILE 32 0.088 0.387 -5.188 243 3HG2 ILE 32 HG23 ILE 32 0.874 1.448 -6.357 244 1HD1 ILE 32 HD11 ILE 32 -1.689 0.086 -6.333 245 2HD1 ILE 32 HD12 ILE 32 -2.421 -1.383 -6.979 246 3HD1 ILE 32 HD13 ILE 32 -1.521 -0.305 -8.045 247 H ASP 33 HN ASP 33 3.575 -0.502 -7.978 248 HA ASP 33 HA ASP 33 4.544 2.018 -7.313 249 1HB ASP 33 HB2 ASP 33 5.879 0.067 -6.903 250 2HB ASP 33 HB1 ASP 33 5.874 -0.368 -8.607 251 H THR 34 HN THR 34 4.143 3.757 -8.526 252 HA THR 34 HA THR 34 3.701 3.843 -11.276 253 HB THR 34 HB THR 34 3.260 5.627 -9.500 254 HG1 THR 34 HG1 THR 34 2.849 6.115 -11.635 255 1HG2 THR 34 HG21 THR 34 6.094 6.368 -10.150 256 2HG2 THR 34 HG22 THR 34 5.455 5.908 -8.572 257 3HG2 THR 34 HG23 THR 34 4.932 7.411 -9.331 258 H ASP 35 HN ASP 35 6.544 3.711 -9.417 259 HA ASP 35 HA ASP 35 8.370 4.592 -11.440 260 1HB ASP 35 HB2 ASP 35 8.817 4.765 -8.981 261 2HB ASP 35 HB1 ASP 35 8.966 3.012 -8.938 262 H ASN 36 HN ASN 36 6.859 1.619 -10.548 263 HA ASN 36 HA ASN 36 7.043 -0.508 -11.354 264 1HB ASN 36 HB2 ASN 36 8.052 0.962 -13.802 265 2HB ASN 36 HB1 ASN 36 7.527 -0.719 -13.773 266 1HD2 ASN 36 HD21 ASN 36 5.577 -0.997 -14.539 267 2HD2 ASN 36 HD22 ASN 36 4.259 0.115 -14.421 268 H SER 37 HN SER 37 9.464 0.996 -10.183 269 HA SER 37 HA SER 37 11.739 -0.314 -11.362 270 1HB SER 37 HB2 SER 37 12.976 0.653 -9.432 271 2HB SER 37 HB1 SER 37 12.026 1.865 -10.292 272 HG SER 37 HG SER 37 11.214 0.527 -7.922 273 H GLY 38 HN GLY 38 9.332 -1.035 -9.094 274 1HA GLY 38 HA2 GLY 38 9.017 -3.352 -8.453 275 2HA GLY 38 HA1 GLY 38 10.764 -3.517 -8.365 276 H THR 39 HN THR 39 9.583 -0.610 -7.102 277 HA THR 39 HA THR 39 9.086 -1.553 -4.426 278 HB THR 39 HB THR 39 10.933 -0.099 -3.477 279 HG1 THR 39 HG1 THR 39 11.623 -0.073 -6.193 280 1HG2 THR 39 HG21 THR 39 12.681 -1.726 -3.660 281 2HG2 THR 39 HG22 THR 39 11.917 -2.442 -5.079 282 3HG2 THR 39 HG23 THR 39 11.130 -2.550 -3.503 283 H ILE 40 HN ILE 40 7.994 -0.026 -3.190 284 HA ILE 40 HA ILE 40 7.282 2.425 -4.654 285 HB ILE 40 HB ILE 40 5.842 0.969 -2.427 286 1HG1 ILE 40 HG12 ILE 40 4.914 1.510 -5.244 287 2HG1 ILE 40 HG11 ILE 40 5.804 0.053 -4.811 288 1HG2 ILE 40 HG21 ILE 40 4.370 2.673 -2.186 289 2HG2 ILE 40 HG22 ILE 40 4.529 3.195 -3.863 290 3HG2 ILE 40 HG23 ILE 40 5.765 3.630 -2.684 291 1HD1 ILE 40 HD11 ILE 40 3.186 0.893 -3.590 292 2HD1 ILE 40 HD12 ILE 40 4.051 -0.618 -3.306 293 3HD1 ILE 40 HD13 ILE 40 3.368 -0.278 -4.897 294 H THR 41 HN THR 41 7.407 4.444 -3.678 295 HA THR 41 HA THR 41 8.587 4.557 -0.988 296 HB THR 41 HB THR 41 10.121 6.337 -1.738 297 HG1 THR 41 HG1 THR 41 9.359 7.216 -3.529 298 1HG2 THR 41 HG21 THR 41 10.460 3.641 -2.168 299 2HG2 THR 41 HG22 THR 41 11.714 4.879 -2.240 300 3HG2 THR 41 HG23 THR 41 10.894 4.368 -3.715 301 H PHE 42 HN PHE 42 8.040 6.325 0.240 302 HA PHE 42 HA PHE 42 5.629 7.397 0.302 303 1HB PHE 42 HB2 PHE 42 7.242 7.788 2.048 304 2HB PHE 42 HB1 PHE 42 8.220 8.790 0.981 305 HD1 PHE 42 HD1 PHE 42 8.160 10.992 1.529 306 HD2 PHE 42 HD2 PHE 42 4.622 8.676 1.954 307 HE1 PHE 42 HE1 PHE 42 6.949 12.990 2.278 308 HE2 PHE 42 HE2 PHE 42 3.402 10.667 2.700 309 HZ PHE 42 HZ PHE 42 4.560 12.837 2.867 310 H ASP 43 HN ASP 43 8.289 8.791 -1.608 311 HA ASP 43 HA ASP 43 7.163 11.145 -2.451 312 1HB ASP 43 HB2 ASP 43 9.453 10.402 -3.023 313 2HB ASP 43 HB1 ASP 43 8.779 9.245 -4.166 314 H GLU 44 HN GLU 44 6.773 7.955 -3.960 315 HA GLU 44 HA GLU 44 4.739 8.961 -5.766 316 1HB GLU 44 HB2 GLU 44 4.743 6.723 -6.706 317 2HB GLU 44 HB1 GLU 44 6.399 7.281 -6.516 318 1HG GLU 44 HG2 GLU 44 6.615 5.972 -4.473 319 2HG GLU 44 HG1 GLU 44 4.954 5.410 -4.657 320 H LEU 45 HN LEU 45 4.997 7.056 -2.848 321 HA LEU 45 HA LEU 45 2.651 5.743 -2.626 322 1HB LEU 45 HB2 LEU 45 4.403 5.751 -0.910 323 2HB LEU 45 HB1 LEU 45 3.934 7.374 -0.442 324 HG LEU 45 HG LEU 45 1.679 6.479 0.173 325 1HD1 LEU 45 HD11 LEU 45 3.022 3.893 -0.538 326 2HD1 LEU 45 HD12 LEU 45 1.453 4.505 -1.058 327 3HD1 LEU 45 HD13 LEU 45 1.680 3.959 0.603 328 1HD2 LEU 45 HD21 LEU 45 3.695 6.784 1.731 329 2HD2 LEU 45 HD22 LEU 45 3.816 5.025 1.690 330 3HD2 LEU 45 HD23 LEU 45 2.350 5.795 2.297 331 H LYS 46 HN LYS 46 3.071 9.052 -1.373 332 HA LYS 46 HA LYS 46 0.469 9.614 -0.733 333 1HB LYS 46 HB2 LYS 46 1.067 12.013 -1.081 334 2HB LYS 46 HB1 LYS 46 2.220 11.117 -0.103 335 1HG LYS 46 HG2 LYS 46 3.698 10.903 -2.038 336 2HG LYS 46 HG1 LYS 46 2.541 11.805 -3.018 337 1HD LYS 46 HD2 LYS 46 3.935 12.854 -0.555 338 2HD LYS 46 HD1 LYS 46 4.398 13.214 -2.219 339 1HE LYS 46 HE2 LYS 46 1.761 13.895 -0.920 340 2HE LYS 46 HE1 LYS 46 3.071 15.025 -1.261 341 1HZ LYS 46 HZ1 LYS 46 1.818 15.361 -3.098 342 2HZ LYS 46 HZ2 LYS 46 1.145 13.809 -3.083 343 3HZ LYS 46 HZ3 LYS 46 2.711 14.044 -3.675 344 H ASP 47 HN ASP 47 2.014 10.394 -3.857 345 HA ASP 47 HA ASP 47 -0.309 11.389 -5.084 346 1HB ASP 47 HB2 ASP 47 2.164 10.186 -6.342 347 2HB ASP 47 HB1 ASP 47 0.941 11.118 -7.200 348 H GLY 48 HN GLY 48 0.609 8.211 -4.335 349 1HA GLY 48 HA2 GLY 48 -0.746 6.880 -6.488 350 2HA GLY 48 HA1 GLY 48 -0.164 6.135 -5.002 351 H LEU 49 HN LEU 49 -1.470 7.657 -3.135 352 HA LEU 49 HA LEU 49 -4.181 6.637 -3.400 353 1HB LEU 49 HB2 LEU 49 -2.781 6.316 -1.324 354 2HB LEU 49 HB1 LEU 49 -2.907 8.042 -1.051 355 HG LEU 49 HG LEU 49 -5.364 7.820 -0.887 356 1HD1 LEU 49 HD11 LEU 49 -4.808 5.243 -1.971 357 2HD1 LEU 49 HD12 LEU 49 -6.369 6.008 -1.673 358 3HD1 LEU 49 HD13 LEU 49 -5.601 5.050 -0.406 359 1HD2 LEU 49 HD21 LEU 49 -5.392 6.708 1.295 360 2HD2 LEU 49 HD22 LEU 49 -4.000 7.779 1.129 361 3HD2 LEU 49 HD23 LEU 49 -3.794 6.035 0.970 362 H LYS 50 HN LYS 50 -2.389 9.506 -3.704 363 HA LYS 50 HA LYS 50 -4.545 11.333 -3.205 364 1HB LYS 50 HB2 LYS 50 -2.206 12.003 -2.823 365 2HB LYS 50 HB1 LYS 50 -1.873 11.805 -4.537 366 1HG LYS 50 HG2 LYS 50 -2.162 14.143 -3.989 367 2HG LYS 50 HG1 LYS 50 -3.462 13.597 -5.049 368 1HD LYS 50 HD2 LYS 50 -4.946 13.373 -3.121 369 2HD LYS 50 HD1 LYS 50 -3.643 13.892 -2.050 370 1HE LYS 50 HE2 LYS 50 -3.569 16.055 -3.192 371 2HE LYS 50 HE1 LYS 50 -4.868 15.534 -4.265 372 1HZ LYS 50 HZ1 LYS 50 -5.638 16.927 -2.405 373 2HZ LYS 50 HZ2 LYS 50 -5.112 15.748 -1.313 374 3HZ LYS 50 HZ3 LYS 50 -6.354 15.394 -2.404 375 H ARG 51 HN ARG 51 -3.252 9.567 -5.856 376 HA ARG 51 HA ARG 51 -4.001 10.943 -8.095 377 1HB ARG 51 HB2 ARG 51 -2.856 8.787 -8.161 378 2HB ARG 51 HB1 ARG 51 -4.304 7.979 -7.582 379 1HG ARG 51 HG2 ARG 51 -4.207 7.574 -9.895 380 2HG ARG 51 HG1 ARG 51 -5.457 8.795 -9.668 381 1HD ARG 51 HD2 ARG 51 -2.608 9.391 -10.454 382 2HD ARG 51 HD1 ARG 51 -3.942 9.233 -11.594 383 HE ARG 51 HE ARG 51 -4.627 11.144 -9.659 384 1HH1 ARG 51 HH11 ARG 51 -2.422 10.700 -12.320 385 2HH1 ARG 51 HH12 ARG 51 -2.323 12.390 -12.687 386 1HH2 ARG 51 HH21 ARG 51 -4.505 13.371 -10.138 387 2HH2 ARG 51 HH22 ARG 51 -3.507 13.908 -11.448 388 H VAL 52 HN VAL 52 -6.084 9.340 -5.787 389 HA VAL 52 HA VAL 52 -8.428 9.662 -7.483 390 HB VAL 52 HB VAL 52 -9.679 8.550 -5.726 391 1HG1 VAL 52 HG11 VAL 52 -7.131 6.993 -5.952 392 2HG1 VAL 52 HG12 VAL 52 -8.127 7.309 -7.373 393 3HG1 VAL 52 HG13 VAL 52 -8.798 6.421 -6.005 394 1HG2 VAL 52 HG21 VAL 52 -8.178 7.618 -3.786 395 2HG2 VAL 52 HG22 VAL 52 -8.893 9.226 -3.678 396 3HG2 VAL 52 HG23 VAL 52 -7.202 9.043 -4.142 397 H GLY 53 HN GLY 53 -6.930 11.156 -4.689 398 1HA GLY 53 HA2 GLY 53 -7.405 13.100 -3.565 399 2HA GLY 53 HA1 GLY 53 -8.247 13.598 -5.023 400 H SER 54 HN SER 54 -8.912 11.041 -2.611 401 HA SER 54 HA SER 54 -11.705 11.748 -2.623 402 1HB SER 54 HB2 SER 54 -11.029 9.397 -2.452 403 2HB SER 54 HB1 SER 54 -10.194 9.737 -0.937 404 HG SER 54 HG SER 54 -12.029 9.506 0.037 405 H GLU 55 HN GLU 55 -10.340 10.873 0.425 406 HA GLU 55 HA GLU 55 -10.495 13.615 1.433 407 1HB GLU 55 HB2 GLU 55 -12.030 11.265 2.552 408 2HB GLU 55 HB1 GLU 55 -11.816 12.790 3.402 409 1HG GLU 55 HG2 GLU 55 -13.192 12.446 0.746 410 2HG GLU 55 HG1 GLU 55 -13.997 12.625 2.304 411 H LEU 56 HN LEU 56 -8.146 12.525 1.014 412 HA LEU 56 HA LEU 56 -7.282 11.236 3.499 413 1HB LEU 56 HB2 LEU 56 -5.134 10.893 2.161 414 2HB LEU 56 HB1 LEU 56 -6.542 9.942 1.724 415 HG LEU 56 HG LEU 56 -6.974 11.555 -0.139 416 1HD1 LEU 56 HD11 LEU 56 -4.947 12.922 -0.823 417 2HD1 LEU 56 HD12 LEU 56 -4.374 12.705 0.830 418 3HD1 LEU 56 HD13 LEU 56 -5.899 13.537 0.528 419 1HD2 LEU 56 HD21 LEU 56 -4.759 10.836 -1.369 420 2HD2 LEU 56 HD22 LEU 56 -5.999 9.658 -0.938 421 3HD2 LEU 56 HD23 LEU 56 -4.563 9.836 0.071 422 H MET 57 HN MET 57 -5.146 11.798 4.317 423 HA MET 57 HA MET 57 -4.514 14.647 3.997 424 1HB MET 57 HB2 MET 57 -3.972 14.712 6.427 425 2HB MET 57 HB1 MET 57 -5.677 14.436 6.099 426 1HG MET 57 HG2 MET 57 -5.292 12.010 6.466 427 2HG MET 57 HG1 MET 57 -3.639 12.392 6.945 428 1HE MET 57 HE1 MET 57 -4.584 15.208 9.440 429 2HE MET 57 HE2 MET 57 -3.399 14.583 8.292 430 3HE MET 57 HE3 MET 57 -3.457 13.947 9.936 431 H GLU 58 HN GLU 58 -2.519 14.920 3.312 432 HA GLU 58 HA GLU 58 -0.688 12.897 2.834 433 1HB GLU 58 HB2 GLU 58 -0.128 15.840 3.231 434 2HB GLU 58 HB1 GLU 58 0.954 14.691 2.457 435 1HG GLU 58 HG2 GLU 58 -0.676 14.319 0.692 436 2HG GLU 58 HG1 GLU 58 -1.792 15.436 1.475 437 H SER 59 HN SER 59 -1.507 14.193 5.809 438 HA SER 59 HA SER 59 1.057 14.066 7.082 439 1HB SER 59 HB2 SER 59 -0.705 15.536 7.946 440 2HB SER 59 HB1 SER 59 -1.718 14.134 8.290 441 HG SER 59 HG SER 59 -0.133 13.444 9.777 442 H GLU 60 HN GLU 60 -1.540 11.824 6.504 443 HA GLU 60 HA GLU 60 -0.475 9.878 8.374 444 1HB GLU 60 HB2 GLU 60 -2.822 9.766 6.476 445 2HB GLU 60 HB1 GLU 60 -2.372 8.473 7.575 446 1HG GLU 60 HG2 GLU 60 -3.163 11.255 8.399 447 2HG GLU 60 HG1 GLU 60 -4.215 9.841 8.428 448 H ILE 61 HN ILE 61 -0.135 10.730 5.090 449 HA ILE 61 HA ILE 61 0.482 8.170 4.017 450 HB ILE 61 HB ILE 61 1.430 10.852 3.009 451 1HG1 ILE 61 HG12 ILE 61 -1.004 10.854 3.246 452 2HG1 ILE 61 HG11 ILE 61 -0.554 10.801 1.545 453 1HG2 ILE 61 HG21 ILE 61 0.874 8.921 0.978 454 2HG2 ILE 61 HG22 ILE 61 1.971 8.219 2.166 455 3HG2 ILE 61 HG23 ILE 61 2.395 9.728 1.357 456 1HD1 ILE 61 HD11 ILE 61 -1.624 8.879 1.232 457 2HD1 ILE 61 HD12 ILE 61 -2.361 9.160 2.809 458 3HD1 ILE 61 HD13 ILE 61 -0.919 8.154 2.677 459 H LYS 62 HN LYS 62 2.418 10.760 5.452 460 HA LYS 62 HA LYS 62 4.916 9.449 4.940 461 1HB LYS 62 HB2 LYS 62 5.895 11.213 6.340 462 2HB LYS 62 HB1 LYS 62 4.824 11.878 5.119 463 1HG LYS 62 HG2 LYS 62 4.287 13.110 6.992 464 2HG LYS 62 HG1 LYS 62 3.047 11.856 6.995 465 1HD LYS 62 HD2 LYS 62 4.269 10.598 8.663 466 2HD LYS 62 HD1 LYS 62 5.602 11.751 8.599 467 1HE LYS 62 HE2 LYS 62 2.783 12.366 9.478 468 2HE LYS 62 HE1 LYS 62 4.161 12.121 10.550 469 1HZ LYS 62 HZ1 LYS 62 3.846 14.297 8.553 470 2HZ LYS 62 HZ2 LYS 62 5.237 14.038 9.480 471 3HZ LYS 62 HZ3 LYS 62 3.784 14.458 10.237 472 H ASP 63 HN ASP 63 2.550 9.426 7.461 473 HA ASP 63 HA ASP 63 4.292 8.100 9.363 474 1HB ASP 63 HB2 ASP 63 2.581 9.721 10.129 475 2HB ASP 63 HB1 ASP 63 1.320 8.667 9.500 476 H LEU 64 HN LEU 64 2.177 7.290 6.818 477 HA LEU 64 HA LEU 64 1.482 4.661 7.753 478 1HB LEU 64 HB2 LEU 64 0.061 5.984 6.191 479 2HB LEU 64 HB1 LEU 64 1.308 5.817 4.969 480 HG LEU 64 HG LEU 64 1.001 3.354 5.029 481 1HD1 LEU 64 HD11 LEU 64 -0.709 2.317 6.238 482 2HD1 LEU 64 HD12 LEU 64 -1.490 3.850 6.625 483 3HD1 LEU 64 HD13 LEU 64 0.039 3.420 7.392 484 1HD2 LEU 64 HD21 LEU 64 -1.168 5.244 4.264 485 2HD2 LEU 64 HD22 LEU 64 -1.467 3.511 4.135 486 3HD2 LEU 64 HD23 LEU 64 -0.130 4.243 3.249 487 H MET 65 HN MET 65 3.760 6.030 5.407 488 HA MET 65 HA MET 65 4.824 3.492 4.646 489 1HB MET 65 HB2 MET 65 6.589 4.842 3.524 490 2HB MET 65 HB1 MET 65 4.957 5.298 3.072 491 1HG MET 65 HG2 MET 65 6.152 7.301 3.327 492 2HG MET 65 HG1 MET 65 5.132 7.161 4.755 493 1HE MET 65 HE1 MET 65 8.567 5.153 4.169 494 2HE MET 65 HE2 MET 65 9.681 6.430 4.659 495 3HE MET 65 HE3 MET 65 8.641 6.658 3.252 496 H ASP 66 HN ASP 66 5.343 5.614 7.269 497 HA ASP 66 HA ASP 66 8.014 4.672 7.858 498 1HB ASP 66 HB2 ASP 66 7.312 6.991 8.390 499 2HB ASP 66 HB1 ASP 66 6.141 6.354 9.539 500 H ALA 67 HN ALA 67 4.734 4.187 9.079 501 HA ALA 67 HA ALA 67 5.584 2.414 11.184 502 1HB ALA 67 HB1 ALA 67 3.422 3.950 10.931 503 2HB ALA 67 HB2 ALA 67 3.444 2.499 11.933 504 3HB ALA 67 HB3 ALA 67 2.755 2.440 10.310 505 H ALA 68 HN ALA 68 3.907 2.046 8.076 506 HA ALA 68 HA ALA 68 3.520 -0.721 8.180 507 1HB ALA 68 HB1 ALA 68 2.827 1.234 6.439 508 2HB ALA 68 HB2 ALA 68 2.659 -0.492 6.117 509 3HB ALA 68 HB3 ALA 68 4.066 0.385 5.515 510 H ASP 69 HN ASP 69 6.128 1.109 6.574 511 HA ASP 69 HA ASP 69 7.620 -1.320 6.098 512 1HB ASP 69 HB2 ASP 69 7.702 0.354 4.383 513 2HB ASP 69 HB1 ASP 69 8.236 1.582 5.530 514 H ILE 70 HN ILE 70 8.773 -2.221 7.613 515 HA ILE 70 HA ILE 70 9.659 -0.732 9.929 516 HB ILE 70 HB ILE 70 8.687 -2.982 10.183 517 1HG1 ILE 70 HG12 ILE 70 11.595 -2.815 11.016 518 2HG1 ILE 70 HG11 ILE 70 10.245 -2.088 11.882 519 1HG2 ILE 70 HG21 ILE 70 11.173 -3.899 8.749 520 2HG2 ILE 70 HG22 ILE 70 9.519 -3.993 8.143 521 3HG2 ILE 70 HG23 ILE 70 10.002 -4.952 9.542 522 1HD1 ILE 70 HD11 ILE 70 9.806 -4.904 11.452 523 2HD1 ILE 70 HD12 ILE 70 9.829 -3.981 12.954 524 3HD1 ILE 70 HD13 ILE 70 11.334 -4.607 12.281 525 H ASP 71 HN ASP 71 10.941 -1.813 6.930 526 HA ASP 71 HA ASP 71 13.652 -2.088 7.659 527 1HB ASP 71 HB2 ASP 71 12.577 -2.828 5.485 528 2HB ASP 71 HB1 ASP 71 12.643 -1.145 4.972 529 H LYS 72 HN LYS 72 11.656 0.583 7.663 530 HA LYS 72 HA LYS 72 11.941 2.853 7.616 531 1HB LYS 72 HB2 LYS 72 13.606 3.632 9.249 532 2HB LYS 72 HB1 LYS 72 12.654 2.288 9.863 533 1HG LYS 72 HG2 LYS 72 14.431 0.914 9.997 534 2HG LYS 72 HG1 LYS 72 15.184 1.569 8.541 535 1HD LYS 72 HD2 LYS 72 15.883 3.539 9.767 536 2HD LYS 72 HD1 LYS 72 15.100 2.933 11.229 537 1HE LYS 72 HE2 LYS 72 17.386 1.611 9.768 538 2HE LYS 72 HE1 LYS 72 17.520 2.536 11.261 539 1HZ LYS 72 HZ1 LYS 72 17.461 0.294 11.894 540 2HZ LYS 72 HZ2 LYS 72 16.183 -0.072 10.848 541 3HZ LYS 72 HZ3 LYS 72 15.905 0.874 12.222 542 H SER 73 HN SER 73 13.262 1.429 5.415 543 HA SER 73 HA SER 73 15.662 3.018 4.926 544 1HB SER 73 HB2 SER 73 15.914 1.653 2.901 545 2HB SER 73 HB1 SER 73 15.676 0.634 4.321 546 HG SER 73 HG SER 73 13.726 1.343 2.385 547 H GLY 74 HN GLY 74 12.448 3.557 4.615 548 1HA GLY 74 HA2 GLY 74 11.470 5.448 3.624 549 2HA GLY 74 HA1 GLY 74 12.901 5.635 2.618 550 H THR 75 HN THR 75 12.634 2.640 2.073 551 HA THR 75 HA THR 75 10.596 2.884 -0.045 552 HB THR 75 HB THR 75 13.097 1.179 0.063 553 HG1 THR 75 HG1 THR 75 13.379 2.623 -1.935 554 1HG2 THR 75 HG21 THR 75 11.105 1.479 -2.169 555 2HG2 THR 75 HG22 THR 75 11.378 0.031 -1.200 556 3HG2 THR 75 HG23 THR 75 12.649 0.631 -2.264 557 H ILE 76 HN ILE 76 8.877 1.550 0.097 558 HA ILE 76 HA ILE 76 9.059 -0.671 2.019 559 HB ILE 76 HB ILE 76 7.517 1.115 2.694 560 1HG1 ILE 76 HG12 ILE 76 6.102 -1.445 1.909 561 2HG1 ILE 76 HG11 ILE 76 7.077 -1.224 3.358 562 1HG2 ILE 76 HG21 ILE 76 5.436 1.475 1.432 563 2HG2 ILE 76 HG22 ILE 76 6.042 0.414 0.159 564 3HG2 ILE 76 HG23 ILE 76 6.867 1.933 0.509 565 1HD1 ILE 76 HD11 ILE 76 4.590 -1.094 3.671 566 2HD1 ILE 76 HD12 ILE 76 4.635 0.420 2.767 567 3HD1 ILE 76 HD13 ILE 76 5.511 0.277 4.291 568 H ASP 77 HN ASP 77 7.955 -2.576 1.653 569 HA ASP 77 HA ASP 77 7.061 -3.104 -1.103 570 1HB ASP 77 HB2 ASP 77 8.835 -4.914 0.562 571 2HB ASP 77 HB1 ASP 77 8.156 -5.318 -1.011 572 H TYR 78 HN TYR 78 5.506 -4.876 -1.252 573 HA TYR 78 HA TYR 78 3.697 -4.872 0.950 574 1HB TYR 78 HB2 TYR 78 3.706 -6.444 -1.634 575 2HB TYR 78 HB1 TYR 78 2.456 -6.622 -0.414 576 HD1 TYR 78 HD1 TYR 78 0.530 -5.747 -1.332 577 HD2 TYR 78 HD2 TYR 78 4.144 -3.528 -1.679 578 HE1 TYR 78 HE1 TYR 78 -0.722 -3.870 -2.307 579 HE2 TYR 78 HE2 TYR 78 2.901 -1.646 -2.652 580 HH TYR 78 HH TYR 78 0.314 -0.854 -2.469 581 H GLY 79 HN GLY 79 6.356 -6.846 0.091 582 1HA GLY 79 HA2 GLY 79 5.474 -9.161 1.581 583 2HA GLY 79 HA1 GLY 79 7.035 -8.949 0.811 584 H GLU 80 HN GLU 80 7.321 -6.298 2.304 585 HA GLU 80 HA GLU 80 8.500 -7.500 4.671 586 1HB GLU 80 HB2 GLU 80 9.581 -5.334 5.004 587 2HB GLU 80 HB1 GLU 80 9.851 -5.949 3.382 588 1HG GLU 80 HG2 GLU 80 8.191 -4.433 2.496 589 2HG GLU 80 HG1 GLU 80 7.814 -3.862 4.123 590 H PHE 81 HN PHE 81 5.953 -5.222 3.870 591 HA PHE 81 HA PHE 81 5.371 -4.072 6.279 592 1HB PHE 81 HB2 PHE 81 4.177 -3.460 4.282 593 2HB PHE 81 HB1 PHE 81 3.481 -5.069 4.144 594 HD1 PHE 81 HD1 PHE 81 3.735 -2.701 7.018 595 HD2 PHE 81 HD2 PHE 81 1.213 -4.909 4.398 596 HE1 PHE 81 HE1 PHE 81 1.767 -1.964 8.298 597 HE2 PHE 81 HE2 PHE 81 -0.760 -4.175 5.671 598 HZ PHE 81 HZ PHE 81 -0.485 -2.701 7.624 599 H ILE 82 HN ILE 82 4.947 -7.427 5.443 600 HA ILE 82 HA ILE 82 3.114 -7.914 7.633 601 HB ILE 82 HB ILE 82 4.378 -9.765 5.621 602 1HG1 ILE 82 HG12 ILE 82 1.985 -10.077 4.949 603 2HG1 ILE 82 HG11 ILE 82 1.543 -8.822 6.101 604 1HG2 ILE 82 HG21 ILE 82 2.515 -11.322 6.729 605 2HG2 ILE 82 HG22 ILE 82 2.965 -10.375 8.147 606 3HG2 ILE 82 HG23 ILE 82 4.190 -11.299 7.278 607 1HD1 ILE 82 HD11 ILE 82 1.854 -8.263 3.579 608 2HD1 ILE 82 HD12 ILE 82 3.565 -8.219 4.002 609 3HD1 ILE 82 HD13 ILE 82 2.427 -7.146 4.817 610 H ALA 83 HN ALA 83 6.192 -9.556 6.811 611 HA ALA 83 HA ALA 83 6.543 -10.268 9.582 612 1HB ALA 83 HB1 ALA 83 8.323 -10.751 7.200 613 2HB ALA 83 HB2 ALA 83 7.115 -11.861 7.849 614 3HB ALA 83 HB3 ALA 83 8.541 -11.453 8.803 615 H ALA 84 HN ALA 84 8.826 -8.721 7.309 616 HA ALA 84 HA ALA 84 9.350 -6.483 8.939 617 1HB ALA 84 HB1 ALA 84 11.736 -7.209 9.562 618 2HB ALA 84 HB2 ALA 84 11.144 -8.853 9.324 619 3HB ALA 84 HB3 ALA 84 10.398 -7.814 10.538 620 H THR 85 HN THR 85 11.737 -8.541 7.302 621 HA THR 85 HA THR 85 11.726 -6.775 4.986 622 HB THR 85 HB THR 85 14.214 -6.502 5.114 623 HG1 THR 85 HG1 THR 85 13.774 -7.732 7.605 624 1HG2 THR 85 HG21 THR 85 13.080 -4.572 5.755 625 2HG2 THR 85 HG22 THR 85 14.206 -4.884 7.076 626 3HG2 THR 85 HG23 THR 85 12.502 -5.300 7.254 627 H VAL 86 HN VAL 86 14.208 -9.038 6.119 628 HA VAL 86 HA VAL 86 13.338 -11.267 4.633 629 HB VAL 86 HB VAL 86 13.892 -9.929 2.679 630 1HG1 VAL 86 HG11 VAL 86 16.563 -9.615 4.025 631 2HG1 VAL 86 HG12 VAL 86 15.453 -8.353 3.492 632 3HG1 VAL 86 HG13 VAL 86 16.320 -9.324 2.302 633 1HG2 VAL 86 HG21 VAL 86 16.145 -11.885 2.918 634 2HG2 VAL 86 HG22 VAL 86 15.107 -11.540 1.535 635 3HG2 VAL 86 HG23 VAL 86 14.472 -12.442 2.911 636 H HIS 87 HN HIS 87 14.324 -13.019 5.438 637 HA HIS 87 HA HIS 87 16.741 -12.601 7.054 638 1HB HIS 87 HB2 HIS 87 14.711 -14.844 7.112 639 2HB HIS 87 HB1 HIS 87 16.137 -14.752 8.139 640 HD1 HIS 87 HD1 HIS 87 13.847 -14.935 9.817 641 HD2 HIS 87 HD2 HIS 87 14.843 -11.274 8.120 642 HE1 HIS 87 HE1 HIS 87 12.710 -13.201 11.241 643 HE2 HIS 87 HE2 HIS 87 13.266 -11.000 10.151 Start of MODEL 11 1 1H HIS 1 HT1 HIS 1 32.045 -7.535 8.188 2 2H HIS 1 HT2 HIS 1 32.687 -9.037 7.748 3 3H HIS 1 HT3 HIS 1 31.353 -8.412 6.917 4 HA HIS 1 HA HIS 1 33.089 -6.427 6.571 5 1HB HIS 1 HB2 HIS 1 34.650 -9.021 6.615 6 2HB HIS 1 HB1 HIS 1 35.259 -7.490 5.997 7 HD1 HIS 1 HD1 HIS 1 33.663 -8.600 9.281 8 HD2 HIS 1 HD2 HIS 1 36.820 -6.311 7.846 9 HE1 HIS 1 HE1 HIS 1 34.839 -7.722 11.324 10 HE2 HIS 1 HE2 HIS 1 36.795 -6.409 10.431 11 H SER 2 HN SER 2 34.076 -6.460 4.303 12 HA SER 2 HA SER 2 32.886 -8.391 2.492 13 1HB SER 2 HB2 SER 2 32.217 -5.443 2.324 14 2HB SER 2 HB1 SER 2 31.794 -6.653 1.113 15 HG SER 2 HG SER 2 30.074 -6.943 2.273 16 H SER 3 HN SER 3 33.320 -7.228 0.100 17 HA SER 3 HA SER 3 36.234 -6.975 0.070 18 1HB SER 3 HB2 SER 3 36.037 -7.447 -2.348 19 2HB SER 3 HB1 SER 3 35.270 -8.699 -1.372 20 HG SER 3 HG SER 3 33.472 -6.804 -1.908 21 H GLY 4 HN GLY 4 34.133 -4.818 0.671 22 1HA GLY 4 HA2 GLY 4 35.218 -2.517 0.220 23 2HA GLY 4 HA1 GLY 4 34.839 -2.906 -1.451 24 H HIS 5 HN HIS 5 33.885 -0.657 0.070 25 HA HIS 5 HA HIS 5 31.056 -1.278 0.488 26 1HB HIS 5 HB2 HIS 5 32.624 1.241 1.084 27 2HB HIS 5 HB1 HIS 5 30.923 0.991 1.463 28 HD1 HIS 5 HD1 HIS 5 34.136 -0.935 2.192 29 HD2 HIS 5 HD2 HIS 5 30.648 0.337 4.059 30 HE1 HIS 5 HE1 HIS 5 34.313 -1.740 4.568 31 HE2 HIS 5 HE2 HIS 5 32.231 -0.884 5.700 32 H ILE 6 HN ILE 6 30.623 -1.584 -1.778 33 HA ILE 6 HA ILE 6 30.647 0.887 -3.374 34 HB ILE 6 HB ILE 6 30.285 -1.968 -4.300 35 1HG1 ILE 6 HG12 ILE 6 32.646 -0.095 -4.597 36 2HG1 ILE 6 HG11 ILE 6 32.571 -1.468 -3.498 37 1HG2 ILE 6 HG21 ILE 6 31.017 -0.090 -6.347 38 2HG2 ILE 6 HG22 ILE 6 29.539 0.433 -5.538 39 3HG2 ILE 6 HG23 ILE 6 29.625 -1.171 -6.267 40 1HD1 ILE 6 HD11 ILE 6 31.949 -2.344 -6.143 41 2HD1 ILE 6 HD12 ILE 6 33.286 -2.817 -5.094 42 3HD1 ILE 6 HD13 ILE 6 33.453 -1.422 -6.161 43 H ASP 7 HN ASP 7 28.799 1.938 -3.648 44 HA ASP 7 HA ASP 7 26.303 0.724 -2.814 45 1HB ASP 7 HB2 ASP 7 25.358 2.983 -3.164 46 2HB ASP 7 HB1 ASP 7 26.765 3.005 -2.106 47 H ASP 8 HN ASP 8 27.464 -0.420 -5.143 48 HA ASP 8 HA ASP 8 25.428 0.307 -7.143 49 1HB ASP 8 HB2 ASP 8 28.282 -0.565 -7.639 50 2HB ASP 8 HB1 ASP 8 27.063 -0.384 -8.896 51 H ASP 9 HN ASP 9 25.816 -1.879 -4.950 52 HA ASP 9 HA ASP 9 24.624 -3.973 -6.536 53 1HB ASP 9 HB2 ASP 9 27.036 -4.404 -6.840 54 2HB ASP 9 HB1 ASP 9 27.226 -4.517 -5.093 55 H ASP 10 HN ASP 10 26.381 -4.447 -3.513 56 HA ASP 10 HA ASP 10 24.032 -5.465 -2.238 57 1HB ASP 10 HB2 ASP 10 26.234 -6.453 -1.858 58 2HB ASP 10 HB1 ASP 10 26.811 -4.935 -1.187 59 H LYS 11 HN LYS 11 25.851 -2.493 -2.139 60 HA LYS 11 HA LYS 11 24.383 -1.489 0.152 61 1HB LYS 11 HB2 LYS 11 26.380 -0.088 -1.632 62 2HB LYS 11 HB1 LYS 11 25.756 0.519 -0.105 63 1HG LYS 11 HG2 LYS 11 27.444 -1.947 -0.473 64 2HG LYS 11 HG1 LYS 11 27.993 -0.393 0.151 65 1HD LYS 11 HD2 LYS 11 25.835 -2.063 1.434 66 2HD LYS 11 HD1 LYS 11 27.533 -2.115 1.905 67 1HE LYS 11 HE2 LYS 11 26.381 -0.663 3.419 68 2HE LYS 11 HE1 LYS 11 27.407 0.326 2.383 69 1HZ LYS 11 HZ1 LYS 11 24.842 0.850 2.860 70 2HZ LYS 11 HZ2 LYS 11 24.689 -0.069 1.448 71 3HZ LYS 11 HZ3 LYS 11 25.643 1.328 1.448 72 H HIS 12 HN HIS 12 23.909 -1.701 -3.150 73 HA HIS 12 HA HIS 12 22.428 0.781 -3.431 74 1HB HIS 12 HB2 HIS 12 23.807 -0.164 -5.293 75 2HB HIS 12 HB1 HIS 12 22.690 -1.519 -5.381 76 HD1 HIS 12 HD1 HIS 12 22.673 -0.367 -7.935 77 HD2 HIS 12 HD2 HIS 12 20.564 1.528 -4.897 78 HE1 HIS 12 HE1 HIS 12 21.024 1.136 -9.096 79 HE2 HIS 12 HE2 HIS 12 19.697 2.200 -7.238 80 H MET 13 HN MET 13 21.781 -2.699 -3.318 81 HA MET 13 HA MET 13 19.005 -2.567 -3.741 82 1HB MET 13 HB2 MET 13 20.337 -4.639 -3.916 83 2HB MET 13 HB1 MET 13 20.579 -4.621 -2.175 84 1HG MET 13 HG2 MET 13 18.184 -4.884 -1.829 85 2HG MET 13 HG1 MET 13 17.926 -4.876 -3.572 86 1HE MET 13 HE1 MET 13 16.526 -6.691 -2.616 87 2HE MET 13 HE2 MET 13 17.132 -8.075 -1.705 88 3HE MET 13 HE3 MET 13 16.962 -8.179 -3.457 89 H ALA 14 HN ALA 14 20.908 -1.692 -1.045 90 HA ALA 14 HA ALA 14 18.768 -1.997 0.892 91 1HB ALA 14 HB1 ALA 14 20.328 -1.631 2.508 92 2HB ALA 14 HB2 ALA 14 21.211 -0.447 1.544 93 3HB ALA 14 HB3 ALA 14 21.399 -2.169 1.214 94 H GLU 15 HN GLU 15 19.931 0.375 -1.283 95 HA GLU 15 HA GLU 15 18.233 2.412 0.004 96 1HB GLU 15 HB2 GLU 15 20.749 2.838 -1.615 97 2HB GLU 15 HB1 GLU 15 19.721 4.119 -0.986 98 1HG GLU 15 HG2 GLU 15 20.207 3.385 1.295 99 2HG GLU 15 HG1 GLU 15 21.245 2.110 0.660 100 H ARG 16 HN ARG 16 17.976 0.301 -2.265 101 HA ARG 16 HA ARG 16 17.665 1.527 -4.720 102 1HB ARG 16 HB2 ARG 16 15.932 -0.282 -5.153 103 2HB ARG 16 HB1 ARG 16 17.532 -0.822 -4.673 104 1HG ARG 16 HG2 ARG 16 15.985 -2.162 -3.504 105 2HG ARG 16 HG1 ARG 16 16.649 -1.027 -2.330 106 1HD ARG 16 HD2 ARG 16 14.661 0.362 -2.524 107 2HD ARG 16 HD1 ARG 16 14.005 -0.721 -3.751 108 HE ARG 16 HE ARG 16 14.559 -2.201 -1.432 109 1HH1 ARG 16 HH11 ARG 16 12.360 0.249 -2.577 110 2HH1 ARG 16 HH12 ARG 16 11.080 -0.220 -1.508 111 1HH2 ARG 16 HH21 ARG 16 12.878 -2.825 -0.026 112 2HH2 ARG 16 HH22 ARG 16 11.374 -1.965 -0.059 113 H LEU 17 HN LEU 17 15.645 2.022 -5.884 114 HA LEU 17 HA LEU 17 14.271 4.132 -4.681 115 1HB LEU 17 HB2 LEU 17 13.363 2.483 -7.041 116 2HB LEU 17 HB1 LEU 17 12.834 4.106 -6.641 117 HG LEU 17 HG LEU 17 15.619 3.311 -7.494 118 1HD1 LEU 17 HD11 LEU 17 15.169 4.312 -9.556 119 2HD1 LEU 17 HD12 LEU 17 13.711 5.103 -8.957 120 3HD1 LEU 17 HD13 LEU 17 13.727 3.357 -9.209 121 1HD2 LEU 17 HD21 LEU 17 16.183 5.133 -6.298 122 2HD2 LEU 17 HD22 LEU 17 14.532 5.750 -6.257 123 3HD2 LEU 17 HD23 LEU 17 15.533 6.005 -7.687 124 H SER 18 HN SER 18 12.470 4.293 -3.500 125 HA SER 18 HA SER 18 10.714 1.953 -3.245 126 1HB SER 18 HB2 SER 18 12.223 1.926 -1.312 127 2HB SER 18 HB1 SER 18 11.789 3.593 -0.936 128 HG SER 18 HG SER 18 10.474 1.285 -0.354 129 H GLU 19 HN GLU 19 9.171 2.986 -4.528 130 HA GLU 19 HA GLU 19 8.217 5.621 -3.852 131 1HB GLU 19 HB2 GLU 19 7.107 3.576 -5.783 132 2HB GLU 19 HB1 GLU 19 6.602 5.257 -5.669 133 1HG GLU 19 HG2 GLU 19 9.354 4.297 -6.424 134 2HG GLU 19 HG1 GLU 19 8.121 4.883 -7.540 135 H GLU 20 HN GLU 20 7.662 2.553 -2.635 136 HA GLU 20 HA GLU 20 4.879 2.634 -2.133 137 1HB GLU 20 HB2 GLU 20 5.324 0.857 -0.498 138 2HB GLU 20 HB1 GLU 20 6.144 0.554 -2.022 139 1HG GLU 20 HG2 GLU 20 8.237 1.363 -1.063 140 2HG GLU 20 HG1 GLU 20 7.415 1.678 0.464 141 H GLU 21 HN GLU 21 7.458 4.379 -0.798 142 HA GLU 21 HA GLU 21 5.782 5.175 1.494 143 1HB GLU 21 HB2 GLU 21 7.801 3.888 2.158 144 2HB GLU 21 HB1 GLU 21 8.804 5.107 1.387 145 1HG GLU 21 HG2 GLU 21 7.969 6.785 2.954 146 2HG GLU 21 HG1 GLU 21 6.964 5.560 3.726 147 H ILE 22 HN ILE 22 6.885 6.167 -1.414 148 HA ILE 22 HA ILE 22 7.475 8.914 -0.615 149 HB ILE 22 HB ILE 22 7.587 7.617 -3.338 150 1HG1 ILE 22 HG12 ILE 22 9.301 6.784 -1.789 151 2HG1 ILE 22 HG11 ILE 22 10.022 7.766 -3.059 152 1HG2 ILE 22 HG21 ILE 22 7.201 10.241 -2.933 153 2HG2 ILE 22 HG22 ILE 22 8.145 9.596 -4.275 154 3HG2 ILE 22 HG23 ILE 22 8.960 10.179 -2.823 155 1HD1 ILE 22 HD11 ILE 22 9.549 8.529 -0.192 156 2HD1 ILE 22 HD12 ILE 22 10.034 9.676 -1.440 157 3HD1 ILE 22 HD13 ILE 22 11.092 8.328 -1.023 158 H GLY 23 HN GLY 23 5.051 7.069 -2.418 159 1HA GLY 23 HA2 GLY 23 3.594 9.534 -3.013 160 2HA GLY 23 HA1 GLY 23 3.240 7.942 -3.658 161 H GLY 24 HN GLY 24 2.938 6.402 -1.462 162 1HA GLY 24 HA2 GLY 24 0.324 6.924 -0.670 163 2HA GLY 24 HA1 GLY 24 1.407 5.799 0.127 164 H LEU 25 HN LEU 25 3.111 8.456 0.460 165 HA LEU 25 HA LEU 25 2.027 8.938 3.102 166 1HB LEU 25 HB2 LEU 25 4.598 9.607 1.739 167 2HB LEU 25 HB1 LEU 25 4.134 10.477 3.188 168 HG LEU 25 HG LEU 25 5.650 8.590 3.662 169 1HD1 LEU 25 HD11 LEU 25 4.678 8.313 5.649 170 2HD1 LEU 25 HD12 LEU 25 3.246 7.566 4.939 171 3HD1 LEU 25 HD13 LEU 25 3.375 9.323 5.022 172 1HD2 LEU 25 HD21 LEU 25 3.409 6.725 2.962 173 2HD2 LEU 25 HD22 LEU 25 5.108 6.359 3.261 174 3HD2 LEU 25 HD23 LEU 25 4.631 7.176 1.773 175 H LYS 26 HN LYS 26 3.118 11.068 0.440 176 HA LYS 26 HA LYS 26 1.575 13.226 1.609 177 1HB LYS 26 HB2 LYS 26 3.418 13.216 -0.769 178 2HB LYS 26 HB1 LYS 26 2.709 14.645 -0.027 179 1HG LYS 26 HG2 LYS 26 3.898 14.163 2.052 180 2HG LYS 26 HG1 LYS 26 4.607 12.727 1.312 181 1HD LYS 26 HD2 LYS 26 5.704 14.139 -0.365 182 2HD LYS 26 HD1 LYS 26 5.000 15.573 0.387 183 1HE LYS 26 HE2 LYS 26 6.890 13.640 1.727 184 2HE LYS 26 HE1 LYS 26 7.338 15.212 1.066 185 1HZ LYS 26 HZ1 LYS 26 5.538 16.095 2.643 186 2HZ LYS 26 HZ2 LYS 26 7.024 15.632 3.304 187 3HZ LYS 26 HZ3 LYS 26 5.686 14.605 3.433 188 H GLU 27 HN GLU 27 1.918 12.272 -1.828 189 HA GLU 27 HA GLU 27 -0.641 13.506 -2.385 190 1HB GLU 27 HB2 GLU 27 1.268 12.139 -4.256 191 2HB GLU 27 HB1 GLU 27 -0.047 13.218 -4.705 192 1HG GLU 27 HG2 GLU 27 1.067 15.069 -3.576 193 2HG GLU 27 HG1 GLU 27 2.381 13.994 -3.101 194 H LEU 28 HN LEU 28 0.678 10.479 -3.647 195 HA LEU 28 HA LEU 28 -1.441 9.377 -4.788 196 1HB LEU 28 HB2 LEU 28 0.724 8.062 -3.209 197 2HB LEU 28 HB1 LEU 28 -0.532 7.099 -3.962 198 HG LEU 28 HG LEU 28 0.088 8.038 -6.164 199 1HD1 LEU 28 HD11 LEU 28 2.677 9.024 -5.577 200 2HD1 LEU 28 HD12 LEU 28 1.521 9.903 -4.577 201 3HD1 LEU 28 HD13 LEU 28 1.322 9.867 -6.328 202 1HD2 LEU 28 HD21 LEU 28 2.370 6.779 -4.648 203 2HD2 LEU 28 HD22 LEU 28 2.189 6.820 -6.402 204 3HD2 LEU 28 HD23 LEU 28 1.035 5.921 -5.418 205 H PHE 29 HN PHE 29 -0.758 8.444 -1.412 206 HA PHE 29 HA PHE 29 -3.292 7.179 -1.157 207 1HB PHE 29 HB2 PHE 29 -1.008 6.931 0.187 208 2HB PHE 29 HB1 PHE 29 -1.843 8.020 1.288 209 HD1 PHE 29 HD1 PHE 29 -2.555 4.923 -0.665 210 HD2 PHE 29 HD2 PHE 29 -3.037 7.059 2.982 211 HE1 PHE 29 HE1 PHE 29 -3.763 3.008 0.291 212 HE2 PHE 29 HE2 PHE 29 -4.245 5.148 3.945 213 HZ PHE 29 HZ PHE 29 -4.610 3.117 2.600 214 H LYS 30 HN LYS 30 -2.042 10.101 0.462 215 HA LYS 30 HA LYS 30 -4.265 10.872 1.843 216 1HB LYS 30 HB2 LYS 30 -2.339 12.679 0.380 217 2HB LYS 30 HB1 LYS 30 -3.440 13.194 1.648 218 1HG LYS 30 HG2 LYS 30 -1.326 11.100 2.059 219 2HG LYS 30 HG1 LYS 30 -1.059 12.820 2.342 220 1HD LYS 30 HD2 LYS 30 -2.936 12.806 3.955 221 2HD LYS 30 HD1 LYS 30 -3.091 11.064 3.715 222 1HE LYS 30 HE2 LYS 30 -0.848 10.714 4.555 223 2HE LYS 30 HE1 LYS 30 -0.604 12.454 4.702 224 1HZ LYS 30 HZ1 LYS 30 -1.891 10.643 6.500 225 2HZ LYS 30 HZ2 LYS 30 -2.875 11.969 6.133 226 3HZ LYS 30 HZ3 LYS 30 -1.331 12.216 6.775 227 H MET 31 HN MET 31 -3.844 11.023 -1.615 228 HA MET 31 HA MET 31 -6.095 12.829 -1.947 229 1HB MET 31 HB2 MET 31 -4.149 13.105 -3.387 230 2HB MET 31 HB1 MET 31 -4.348 11.469 -3.998 231 1HG MET 31 HG2 MET 31 -6.477 12.078 -4.993 232 2HG MET 31 HG1 MET 31 -6.330 13.708 -4.340 233 1HE MET 31 HE1 MET 31 -4.197 15.628 -5.907 234 2HE MET 31 HE2 MET 31 -2.829 14.518 -5.821 235 3HE MET 31 HE3 MET 31 -3.926 14.674 -4.449 236 H ILE 32 HN ILE 32 -5.520 9.421 -1.987 237 HA ILE 32 HA ILE 32 -7.975 8.893 -3.461 238 HB ILE 32 HB ILE 32 -5.936 7.543 -3.902 239 1HG1 ILE 32 HG12 ILE 32 -8.300 6.699 -4.288 240 2HG1 ILE 32 HG11 ILE 32 -7.052 5.466 -4.167 241 1HG2 ILE 32 HG21 ILE 32 -6.378 6.604 -1.081 242 2HG2 ILE 32 HG22 ILE 32 -4.944 7.377 -1.758 243 3HG2 ILE 32 HG23 ILE 32 -5.381 5.741 -2.252 244 1HD1 ILE 32 HD11 ILE 32 -8.291 4.455 -2.644 245 2HD1 ILE 32 HD12 ILE 32 -9.439 5.794 -2.631 246 3HD1 ILE 32 HD13 ILE 32 -8.030 5.831 -1.570 247 H ASP 33 HN ASP 33 -6.664 8.530 -0.204 248 HA ASP 33 HA ASP 33 -8.706 7.076 0.967 249 1HB ASP 33 HB2 ASP 33 -6.618 7.623 2.130 250 2HB ASP 33 HB1 ASP 33 -7.088 9.319 2.198 251 H THR 34 HN THR 34 -10.776 7.461 1.351 252 HA THR 34 HA THR 34 -12.090 9.771 0.445 253 HB THR 34 HB THR 34 -13.061 7.673 2.400 254 HG1 THR 34 HG1 THR 34 -14.141 7.056 0.277 255 1HG2 THR 34 HG21 THR 34 -14.430 9.927 1.086 256 2HG2 THR 34 HG22 THR 34 -14.787 9.102 2.603 257 3HG2 THR 34 HG23 THR 34 -15.265 8.373 1.070 258 H ASP 35 HN ASP 35 -10.373 9.134 3.277 259 HA ASP 35 HA ASP 35 -11.667 11.320 4.725 260 1HB ASP 35 HB2 ASP 35 -9.909 9.060 5.629 261 2HB ASP 35 HB1 ASP 35 -10.272 10.436 6.658 262 H ASN 36 HN ASN 36 -8.921 10.619 2.878 263 HA ASN 36 HA ASN 36 -6.959 11.719 2.503 264 1HB ASN 36 HB2 ASN 36 -8.521 14.081 3.581 265 2HB ASN 36 HB1 ASN 36 -7.054 14.169 2.612 266 1HD2 ASN 36 HD21 ASN 36 -10.279 14.490 2.485 267 2HD2 ASN 36 HD22 ASN 36 -10.562 14.119 0.822 268 H SER 37 HN SER 37 -7.754 10.687 5.287 269 HA SER 37 HA SER 37 -6.212 12.318 7.097 270 1HB SER 37 HB2 SER 37 -6.678 10.475 8.718 271 2HB SER 37 HB1 SER 37 -8.139 11.117 7.967 272 HG SER 37 HG SER 37 -7.247 9.146 6.439 273 H GLY 38 HN GLY 38 -5.665 9.806 4.888 274 1HA GLY 38 HA2 GLY 38 -3.383 9.350 4.211 275 2HA GLY 38 HA1 GLY 38 -2.891 9.556 5.884 276 H THR 39 HN THR 39 -5.699 7.876 5.970 277 HA THR 39 HA THR 39 -4.465 5.254 5.558 278 HB THR 39 HB THR 39 -5.380 4.459 7.723 279 HG1 THR 39 HG1 THR 39 -5.669 7.076 8.621 280 1HG2 THR 39 HG21 THR 39 -3.078 5.042 7.792 281 2HG2 THR 39 HG22 THR 39 -3.840 5.678 9.250 282 3HG2 THR 39 HG23 THR 39 -3.458 6.760 7.910 283 H ILE 40 HN ILE 40 -5.818 3.846 4.598 284 HA ILE 40 HA ILE 40 -8.606 4.726 4.265 285 HB ILE 40 HB ILE 40 -6.859 2.912 2.603 286 1HG1 ILE 40 HG12 ILE 40 -8.464 5.329 1.790 287 2HG1 ILE 40 HG11 ILE 40 -6.800 5.447 2.360 288 1HG2 ILE 40 HG21 ILE 40 -8.993 2.858 1.115 289 2HG2 ILE 40 HG22 ILE 40 -9.836 3.175 2.631 290 3HG2 ILE 40 HG23 ILE 40 -8.839 1.730 2.461 291 1HD1 ILE 40 HD11 ILE 40 -6.179 5.179 0.251 292 2HD1 ILE 40 HD12 ILE 40 -7.817 4.746 -0.242 293 3HD1 ILE 40 HD13 ILE 40 -6.726 3.507 0.378 294 H THR 41 HN THR 41 -10.316 3.401 4.782 295 HA THR 41 HA THR 41 -9.623 0.890 6.151 296 HB THR 41 HB THR 41 -10.459 2.356 7.797 297 HG1 THR 41 HG1 THR 41 -11.495 0.603 8.321 298 1HG2 THR 41 HG21 THR 41 -12.536 3.567 7.679 299 2HG2 THR 41 HG22 THR 41 -12.839 2.940 6.059 300 3HG2 THR 41 HG23 THR 41 -11.491 4.041 6.340 301 H PHE 42 HN PHE 42 -11.373 -0.674 6.221 302 HA PHE 42 HA PHE 42 -12.036 -1.834 3.924 303 1HB PHE 42 HB2 PHE 42 -12.419 -2.918 6.018 304 2HB PHE 42 HB1 PHE 42 -13.622 -1.724 6.487 305 HD1 PHE 42 HD1 PHE 42 -13.097 -3.887 3.492 306 HD2 PHE 42 HD2 PHE 42 -15.709 -2.598 6.587 307 HE1 PHE 42 HE1 PHE 42 -14.872 -5.314 2.583 308 HE2 PHE 42 HE2 PHE 42 -17.490 -4.023 5.686 309 HZ PHE 42 HZ PHE 42 -17.079 -5.391 3.677 310 H ASP 43 HN ASP 43 -14.432 0.182 5.656 311 HA ASP 43 HA ASP 43 -16.402 0.195 3.730 312 1HB ASP 43 HB2 ASP 43 -16.669 1.111 6.010 313 2HB ASP 43 HB1 ASP 43 -15.667 2.487 5.564 314 H GLU 44 HN GLU 44 -13.555 2.252 3.959 315 HA GLU 44 HA GLU 44 -14.314 3.761 1.590 316 1HB GLU 44 HB2 GLU 44 -11.779 3.919 3.231 317 2HB GLU 44 HB1 GLU 44 -12.340 5.093 2.047 318 1HG GLU 44 HG2 GLU 44 -14.197 5.694 3.430 319 2HG GLU 44 HG1 GLU 44 -13.823 4.403 4.569 320 H LEU 45 HN LEU 45 -12.633 0.938 2.341 321 HA LEU 45 HA LEU 45 -10.674 1.005 0.295 322 1HB LEU 45 HB2 LEU 45 -10.497 -0.429 2.296 323 2HB LEU 45 HB1 LEU 45 -11.841 -1.388 1.701 324 HG LEU 45 HG LEU 45 -10.483 -1.957 -0.310 325 1HD1 LEU 45 HD11 LEU 45 -8.114 -1.512 -0.328 326 2HD1 LEU 45 HD12 LEU 45 -8.226 -0.672 1.218 327 3HD1 LEU 45 HD13 LEU 45 -8.997 0.011 -0.214 328 1HD2 LEU 45 HD21 LEU 45 -10.211 -2.905 2.355 329 2HD2 LEU 45 HD22 LEU 45 -8.640 -3.000 1.560 330 3HD2 LEU 45 HD23 LEU 45 -10.042 -3.792 0.841 331 H LYS 46 HN LYS 46 -13.809 -0.610 0.627 332 HA LYS 46 HA LYS 46 -13.886 -1.845 -1.873 333 1HB LYS 46 HB2 LYS 46 -16.341 -1.955 -1.504 334 2HB LYS 46 HB1 LYS 46 -15.405 -2.502 -0.120 335 1HG LYS 46 HG2 LYS 46 -15.751 -0.334 0.964 336 2HG LYS 46 HG1 LYS 46 -16.715 0.192 -0.417 337 1HD LYS 46 HD2 LYS 46 -18.328 -1.579 0.012 338 2HD LYS 46 HD1 LYS 46 -17.348 -2.164 1.359 339 1HE LYS 46 HE2 LYS 46 -17.669 -0.029 2.513 340 2HE LYS 46 HE1 LYS 46 -18.653 0.550 1.170 341 1HZ LYS 46 HZ1 LYS 46 -19.786 -0.451 3.249 342 2HZ LYS 46 HZ2 LYS 46 -19.392 -1.940 2.552 343 3HZ LYS 46 HZ3 LYS 46 -20.376 -0.850 1.714 344 H ASP 47 HN ASP 47 -14.338 1.452 -0.982 345 HA ASP 47 HA ASP 47 -16.007 2.389 -2.997 346 1HB ASP 47 HB2 ASP 47 -15.308 3.780 -1.108 347 2HB ASP 47 HB1 ASP 47 -13.649 3.773 -1.698 348 H GLY 48 HN GLY 48 -12.880 1.084 -3.177 349 1HA GLY 48 HA2 GLY 48 -11.954 2.430 -5.520 350 2HA GLY 48 HA1 GLY 48 -11.325 0.918 -4.875 351 H LEU 49 HN LEU 49 -13.464 -0.723 -4.945 352 HA LEU 49 HA LEU 49 -13.825 -1.117 -7.809 353 1HB LEU 49 HB2 LEU 49 -14.499 -2.868 -5.438 354 2HB LEU 49 HB1 LEU 49 -14.816 -3.306 -7.104 355 HG LEU 49 HG LEU 49 -12.837 -4.441 -6.395 356 1HD1 LEU 49 HD11 LEU 49 -12.744 -3.744 -8.666 357 2HD1 LEU 49 HD12 LEU 49 -11.147 -3.484 -7.964 358 3HD1 LEU 49 HD13 LEU 49 -12.235 -2.118 -8.209 359 1HD2 LEU 49 HD21 LEU 49 -11.791 -1.732 -5.586 360 2HD2 LEU 49 HD22 LEU 49 -10.832 -3.212 -5.635 361 3HD2 LEU 49 HD23 LEU 49 -12.189 -3.077 -4.517 362 H LYS 50 HN LYS 50 -15.427 0.221 -5.169 363 HA LYS 50 HA LYS 50 -18.113 -0.356 -5.954 364 1HB LYS 50 HB2 LYS 50 -17.591 0.151 -3.626 365 2HB LYS 50 HB1 LYS 50 -17.020 1.750 -4.083 366 1HG LYS 50 HG2 LYS 50 -19.269 2.354 -4.809 367 2HG LYS 50 HG1 LYS 50 -19.846 0.746 -4.368 368 1HD LYS 50 HD2 LYS 50 -19.236 1.164 -2.037 369 2HD LYS 50 HD1 LYS 50 -18.640 2.766 -2.476 370 1HE LYS 50 HE2 LYS 50 -20.881 3.409 -3.198 371 2HE LYS 50 HE1 LYS 50 -21.482 1.802 -2.792 372 1HZ LYS 50 HZ1 LYS 50 -20.210 2.741 -0.528 373 2HZ LYS 50 HZ2 LYS 50 -21.876 2.574 -0.768 374 3HZ LYS 50 HZ3 LYS 50 -21.118 4.047 -1.106 375 H ARG 51 HN ARG 51 -15.849 2.289 -6.418 376 HA ARG 51 HA ARG 51 -17.404 4.292 -7.415 377 1HB ARG 51 HB2 ARG 51 -14.967 4.457 -7.167 378 2HB ARG 51 HB1 ARG 51 -14.750 3.389 -8.548 379 1HG ARG 51 HG2 ARG 51 -15.803 5.038 -10.002 380 2HG ARG 51 HG1 ARG 51 -16.044 6.109 -8.620 381 1HD ARG 51 HD2 ARG 51 -14.090 6.792 -9.884 382 2HD ARG 51 HD1 ARG 51 -13.613 6.208 -8.291 383 HE ARG 51 HE ARG 51 -13.467 4.067 -10.077 384 1HH1 ARG 51 HH11 ARG 51 -11.903 7.127 -9.499 385 2HH1 ARG 51 HH12 ARG 51 -10.384 6.622 -10.160 386 1HH2 ARG 51 HH21 ARG 51 -11.469 3.393 -10.948 387 2HH2 ARG 51 HH22 ARG 51 -10.137 4.499 -10.982 388 H VAL 52 HN VAL 52 -16.431 1.352 -9.117 389 HA VAL 52 HA VAL 52 -17.789 2.218 -11.542 390 HB VAL 52 HB VAL 52 -17.021 0.097 -12.519 391 1HG1 VAL 52 HG11 VAL 52 -14.741 0.672 -12.695 392 2HG1 VAL 52 HG12 VAL 52 -14.719 1.396 -11.086 393 3HG1 VAL 52 HG13 VAL 52 -15.592 2.188 -12.398 394 1HG2 VAL 52 HG21 VAL 52 -17.011 -0.911 -10.022 395 2HG2 VAL 52 HG22 VAL 52 -15.296 -0.554 -10.216 396 3HG2 VAL 52 HG23 VAL 52 -16.111 -1.618 -11.362 397 H GLY 53 HN GLY 53 -18.280 0.076 -8.832 398 1HA GLY 53 HA2 GLY 53 -20.002 -1.342 -8.264 399 2HA GLY 53 HA1 GLY 53 -20.997 -0.046 -8.906 400 H SER 54 HN SER 54 -18.833 -2.392 -10.502 401 HA SER 54 HA SER 54 -20.814 -2.866 -12.541 402 1HB SER 54 HB2 SER 54 -18.432 -2.809 -13.127 403 2HB SER 54 HB1 SER 54 -18.129 -4.186 -12.067 404 HG SER 54 HG SER 54 -20.121 -4.618 -13.901 405 H GLU 55 HN GLU 55 -18.940 -5.384 -10.922 406 HA GLU 55 HA GLU 55 -21.330 -6.622 -9.839 407 1HB GLU 55 HB2 GLU 55 -21.160 -7.424 -12.213 408 2HB GLU 55 HB1 GLU 55 -19.601 -8.130 -11.812 409 1HG GLU 55 HG2 GLU 55 -20.673 -9.575 -10.165 410 2HG GLU 55 HG1 GLU 55 -22.237 -8.860 -10.553 411 H LEU 56 HN LEU 56 -19.134 -5.440 -8.616 412 HA LEU 56 HA LEU 56 -17.052 -7.163 -7.914 413 1HB LEU 56 HB2 LEU 56 -16.884 -5.702 -5.854 414 2HB LEU 56 HB1 LEU 56 -16.747 -4.896 -7.409 415 HG LEU 56 HG LEU 56 -19.186 -4.265 -7.176 416 1HD1 LEU 56 HD11 LEU 56 -19.714 -4.196 -4.563 417 2HD1 LEU 56 HD12 LEU 56 -18.780 -5.691 -4.617 418 3HD1 LEU 56 HD13 LEU 56 -20.229 -5.520 -5.608 419 1HD2 LEU 56 HD21 LEU 56 -18.079 -2.382 -6.725 420 2HD2 LEU 56 HD22 LEU 56 -16.877 -3.218 -5.741 421 3HD2 LEU 56 HD23 LEU 56 -18.420 -2.740 -5.032 422 H MET 57 HN MET 57 -16.720 -7.641 -5.461 423 HA MET 57 HA MET 57 -19.087 -9.047 -4.433 424 1HB MET 57 HB2 MET 57 -17.526 -10.665 -5.438 425 2HB MET 57 HB1 MET 57 -16.229 -10.047 -4.426 426 1HG MET 57 HG2 MET 57 -17.428 -10.790 -2.433 427 2HG MET 57 HG1 MET 57 -18.730 -11.408 -3.447 428 1HE MET 57 HE1 MET 57 -18.134 -12.680 -5.518 429 2HE MET 57 HE2 MET 57 -17.651 -14.335 -5.148 430 3HE MET 57 HE3 MET 57 -16.494 -13.221 -5.877 431 H GLU 58 HN GLU 58 -19.646 -7.881 -2.688 432 HA GLU 58 HA GLU 58 -17.953 -6.239 -1.192 433 1HB GLU 58 HB2 GLU 58 -20.426 -6.087 -1.181 434 2HB GLU 58 HB1 GLU 58 -20.500 -7.587 -0.270 435 1HG GLU 58 HG2 GLU 58 -19.318 -6.532 1.582 436 2HG GLU 58 HG1 GLU 58 -19.218 -5.029 0.666 437 H SER 59 HN SER 59 -18.138 -9.583 -1.319 438 HA SER 59 HA SER 59 -17.194 -10.058 1.391 439 1HB SER 59 HB2 SER 59 -18.748 -11.671 0.394 440 2HB SER 59 HB1 SER 59 -17.612 -11.970 -0.921 441 HG SER 59 HG SER 59 -16.124 -12.499 0.965 442 H GLU 60 HN GLU 60 -15.947 -9.738 -1.829 443 HA GLU 60 HA GLU 60 -13.420 -10.954 -1.390 444 1HB GLU 60 HB2 GLU 60 -14.338 -10.653 -3.638 445 2HB GLU 60 HB1 GLU 60 -14.283 -8.907 -3.442 446 1HG GLU 60 HG2 GLU 60 -11.851 -8.993 -3.294 447 2HG GLU 60 HG1 GLU 60 -11.900 -10.746 -3.477 448 H ILE 61 HN ILE 61 -14.707 -7.728 -0.938 449 HA ILE 61 HA ILE 61 -12.310 -6.306 -0.674 450 HB ILE 61 HB ILE 61 -14.860 -5.747 0.843 451 1HG1 ILE 61 HG12 ILE 61 -15.347 -6.022 -1.545 452 2HG1 ILE 61 HG11 ILE 61 -15.493 -4.332 -1.071 453 1HG2 ILE 61 HG21 ILE 61 -14.067 -3.637 1.232 454 2HG2 ILE 61 HG22 ILE 61 -13.029 -3.644 -0.194 455 3HG2 ILE 61 HG23 ILE 61 -12.551 -4.538 1.249 456 1HD1 ILE 61 HD11 ILE 61 -12.851 -4.636 -1.913 457 2HD1 ILE 61 HD12 ILE 61 -14.166 -3.830 -2.768 458 3HD1 ILE 61 HD13 ILE 61 -13.827 -5.533 -3.076 459 H LYS 62 HN LYS 62 -13.739 -8.658 1.357 460 HA LYS 62 HA LYS 62 -12.575 -7.822 3.842 461 1HB LYS 62 HB2 LYS 62 -13.399 -10.631 3.127 462 2HB LYS 62 HB1 LYS 62 -13.387 -9.871 4.716 463 1HG LYS 62 HG2 LYS 62 -15.150 -9.011 2.455 464 2HG LYS 62 HG1 LYS 62 -15.642 -10.156 3.710 465 1HD LYS 62 HD2 LYS 62 -14.702 -7.334 4.223 466 2HD LYS 62 HD1 LYS 62 -16.392 -7.827 4.150 467 1HE LYS 62 HE2 LYS 62 -16.021 -9.359 6.026 468 2HE LYS 62 HE1 LYS 62 -14.332 -8.857 6.098 469 1HZ LYS 62 HZ1 LYS 62 -16.113 -6.628 6.192 470 2HZ LYS 62 HZ2 LYS 62 -14.875 -7.059 7.260 471 3HZ LYS 62 HZ3 LYS 62 -16.421 -7.719 7.448 472 H ASP 63 HN ASP 63 -11.940 -10.683 1.819 473 HA ASP 63 HA ASP 63 -9.449 -11.292 2.943 474 1HB ASP 63 HB2 ASP 63 -9.059 -12.623 0.893 475 2HB ASP 63 HB1 ASP 63 -10.670 -12.897 1.547 476 H LEU 64 HN LEU 64 -10.501 -8.794 0.927 477 HA LEU 64 HA LEU 64 -7.897 -8.226 -0.242 478 1HB LEU 64 HB2 LEU 64 -10.218 -7.844 -1.320 479 2HB LEU 64 HB1 LEU 64 -10.302 -6.421 -0.301 480 HG LEU 64 HG LEU 64 -8.087 -6.896 -2.297 481 1HD1 LEU 64 HD11 LEU 64 -10.493 -5.121 -2.639 482 2HD1 LEU 64 HD12 LEU 64 -10.363 -6.737 -3.334 483 3HD1 LEU 64 HD13 LEU 64 -9.232 -5.474 -3.820 484 1HD2 LEU 64 HD21 LEU 64 -7.303 -5.328 -0.771 485 2HD2 LEU 64 HD22 LEU 64 -8.897 -4.607 -0.543 486 3HD2 LEU 64 HD23 LEU 64 -8.010 -4.330 -2.042 487 H MET 65 HN MET 65 -9.967 -7.043 2.349 488 HA MET 65 HA MET 65 -8.187 -4.830 2.956 489 1HB MET 65 HB2 MET 65 -10.709 -4.710 3.137 490 2HB MET 65 HB1 MET 65 -10.585 -5.765 4.536 491 1HG MET 65 HG2 MET 65 -9.218 -3.095 4.324 492 2HG MET 65 HG1 MET 65 -10.803 -3.335 5.052 493 1HE MET 65 HE1 MET 65 -11.047 -4.686 7.640 494 2HE MET 65 HE2 MET 65 -9.819 -5.931 7.872 495 3HE MET 65 HE3 MET 65 -10.750 -5.878 6.375 496 H ASP 66 HN ASP 66 -9.461 -7.625 4.778 497 HA ASP 66 HA ASP 66 -7.915 -7.438 7.035 498 1HB ASP 66 HB2 ASP 66 -9.737 -9.086 6.675 499 2HB ASP 66 HB1 ASP 66 -8.663 -10.011 5.632 500 H ALA 67 HN ALA 67 -6.984 -8.758 3.900 501 HA ALA 67 HA ALA 67 -4.360 -9.523 4.924 502 1HB ALA 67 HB1 ALA 67 -4.184 -10.916 3.159 503 2HB ALA 67 HB2 ALA 67 -4.915 -9.765 2.040 504 3HB ALA 67 HB3 ALA 67 -5.937 -10.726 3.109 505 H ALA 68 HN ALA 68 -5.829 -6.835 3.512 506 HA ALA 68 HA ALA 68 -3.835 -5.824 1.834 507 1HB ALA 68 HB1 ALA 68 -6.207 -4.778 3.177 508 2HB ALA 68 HB2 ALA 68 -5.602 -4.486 1.546 509 3HB ALA 68 HB3 ALA 68 -4.949 -3.573 2.906 510 H ASP 69 HN ASP 69 -4.453 -4.943 5.245 511 HA ASP 69 HA ASP 69 -1.694 -3.960 5.377 512 1HB ASP 69 HB2 ASP 69 -2.390 -2.647 7.311 513 2HB ASP 69 HB1 ASP 69 -3.431 -2.312 5.933 514 H ILE 70 HN ILE 70 -0.240 -4.923 6.572 515 HA ILE 70 HA ILE 70 -0.910 -7.344 8.010 516 HB ILE 70 HB ILE 70 1.161 -6.841 6.472 517 1HG1 ILE 70 HG12 ILE 70 0.681 -8.966 7.728 518 2HG1 ILE 70 HG11 ILE 70 2.389 -8.626 7.489 519 1HG2 ILE 70 HG21 ILE 70 1.985 -4.909 7.644 520 2HG2 ILE 70 HG22 ILE 70 3.170 -6.209 7.762 521 3HG2 ILE 70 HG23 ILE 70 2.135 -5.832 9.139 522 1HD1 ILE 70 HD11 ILE 70 2.236 -9.402 9.675 523 2HD1 ILE 70 HD12 ILE 70 0.778 -8.466 10.005 524 3HD1 ILE 70 HD13 ILE 70 2.333 -7.649 9.847 525 H ASP 71 HN ASP 71 -0.628 -4.074 8.625 526 HA ASP 71 HA ASP 71 0.417 -4.068 11.264 527 1HB ASP 71 HB2 ASP 71 0.356 -2.072 9.810 528 2HB ASP 71 HB1 ASP 71 -1.401 -2.085 9.873 529 H LYS 72 HN LYS 72 -2.494 -5.192 9.988 530 HA LYS 72 HA LYS 72 -4.564 -5.655 10.831 531 1HB LYS 72 HB2 LYS 72 -2.592 -6.469 12.926 532 2HB LYS 72 HB1 LYS 72 -4.312 -6.690 13.211 533 1HG LYS 72 HG2 LYS 72 -3.014 -8.639 12.262 534 2HG LYS 72 HG1 LYS 72 -4.526 -8.228 11.468 535 1HD LYS 72 HD2 LYS 72 -3.250 -7.029 9.740 536 2HD LYS 72 HD1 LYS 72 -1.749 -7.479 10.549 537 1HE LYS 72 HE2 LYS 72 -3.770 -9.385 9.374 538 2HE LYS 72 HE1 LYS 72 -2.217 -8.954 8.658 539 1HZ LYS 72 HZ1 LYS 72 -2.800 -10.699 10.923 540 2HZ LYS 72 HZ2 LYS 72 -1.387 -9.774 11.014 541 3HZ LYS 72 HZ3 LYS 72 -1.615 -10.842 9.723 542 H SER 73 HN SER 73 -3.715 -2.905 11.179 543 HA SER 73 HA SER 73 -4.874 -2.148 13.757 544 1HB SER 73 HB2 SER 73 -4.143 0.126 13.212 545 2HB SER 73 HB1 SER 73 -2.811 -1.013 13.023 546 HG SER 73 HG SER 73 -3.158 0.573 11.278 547 H GLY 74 HN GLY 74 -6.055 -2.925 10.816 548 1HA GLY 74 HA2 GLY 74 -8.289 -2.761 10.142 549 2HA GLY 74 HA1 GLY 74 -8.525 -1.475 11.316 550 H THR 75 HN THR 75 -5.826 -0.509 9.897 551 HA THR 75 HA THR 75 -7.207 0.838 7.670 552 HB THR 75 HB THR 75 -5.800 2.830 8.142 553 HG1 THR 75 HG1 THR 75 -4.956 1.206 10.282 554 1HG2 THR 75 HG21 THR 75 -7.007 2.509 10.771 555 2HG2 THR 75 HG22 THR 75 -8.097 2.134 9.437 556 3HG2 THR 75 HG23 THR 75 -7.310 3.710 9.517 557 H ILE 76 HN ILE 76 -6.235 0.743 5.747 558 HA ILE 76 HA ILE 76 -3.717 -0.691 5.537 559 HB ILE 76 HB ILE 76 -5.535 -1.387 4.075 560 1HG1 ILE 76 HG12 ILE 76 -3.291 -0.015 2.572 561 2HG1 ILE 76 HG11 ILE 76 -3.240 -1.638 3.250 562 1HG2 ILE 76 HG21 ILE 76 -5.638 1.504 3.483 563 2HG2 ILE 76 HG22 ILE 76 -6.936 0.313 3.563 564 3HG2 ILE 76 HG23 ILE 76 -5.921 0.415 2.125 565 1HD1 ILE 76 HD11 ILE 76 -4.862 -0.653 0.926 566 2HD1 ILE 76 HD12 ILE 76 -5.154 -2.205 1.711 567 3HD1 ILE 76 HD13 ILE 76 -3.600 -1.886 0.939 568 H ASP 77 HN ASP 77 -1.914 0.054 4.442 569 HA ASP 77 HA ASP 77 -1.805 2.926 3.822 570 1HB ASP 77 HB2 ASP 77 -0.783 2.427 6.068 571 2HB ASP 77 HB1 ASP 77 0.383 1.395 5.250 572 H TYR 78 HN TYR 78 -0.325 3.482 2.155 573 HA TYR 78 HA TYR 78 -0.163 1.770 0.002 574 1HB TYR 78 HB2 TYR 78 0.252 4.291 0.062 575 2HB TYR 78 HB1 TYR 78 1.898 3.901 0.536 576 HD1 TYR 78 HD1 TYR 78 3.167 4.598 -1.292 577 HD2 TYR 78 HD2 TYR 78 -0.258 2.163 -1.952 578 HE1 TYR 78 HE1 TYR 78 3.788 4.378 -3.659 579 HE2 TYR 78 HE2 TYR 78 0.355 1.931 -4.320 580 HH TYR 78 HH TYR 78 3.376 2.743 -5.526 581 H GLY 79 HN GLY 79 2.245 2.302 2.539 582 1HA GLY 79 HA2 GLY 79 4.241 0.646 1.348 583 2HA GLY 79 HA1 GLY 79 4.236 1.238 3.000 584 H GLU 80 HN GLU 80 1.529 0.000 3.431 585 HA GLU 80 HA GLU 80 2.534 -2.625 4.168 586 1HB GLU 80 HB2 GLU 80 -0.114 -1.291 4.759 587 2HB GLU 80 HB1 GLU 80 0.425 -2.824 5.431 588 1HG GLU 80 HG2 GLU 80 2.283 -1.695 6.534 589 2HG GLU 80 HG1 GLU 80 1.755 -0.157 5.852 590 H PHE 81 HN PHE 81 0.510 -1.193 1.789 591 HA PHE 81 HA PHE 81 -1.090 -3.426 1.129 592 1HB PHE 81 HB2 PHE 81 -1.640 -1.137 0.423 593 2HB PHE 81 HB1 PHE 81 -0.213 -1.106 -0.607 594 HD1 PHE 81 HD1 PHE 81 -0.870 -1.076 -2.801 595 HD2 PHE 81 HD2 PHE 81 -2.888 -3.659 -0.087 596 HE1 PHE 81 HE1 PHE 81 -2.190 -1.995 -4.663 597 HE2 PHE 81 HE2 PHE 81 -4.210 -4.584 -1.944 598 HZ PHE 81 HZ PHE 81 -3.862 -3.752 -4.236 599 H ILE 82 HN ILE 82 2.131 -2.417 0.175 600 HA ILE 82 HA ILE 82 2.344 -4.449 -1.877 601 HB ILE 82 HB ILE 82 3.488 -2.309 -2.193 602 1HG1 ILE 82 HG12 ILE 82 5.428 -4.606 -1.830 603 2HG1 ILE 82 HG11 ILE 82 4.406 -4.352 -3.241 604 1HG2 ILE 82 HG21 ILE 82 5.724 -2.634 -0.458 605 2HG2 ILE 82 HG22 ILE 82 4.245 -2.684 0.502 606 3HG2 ILE 82 HG23 ILE 82 4.571 -1.302 -0.543 607 1HD1 ILE 82 HD11 ILE 82 6.512 -3.564 -3.861 608 2HD1 ILE 82 HD12 ILE 82 6.757 -2.741 -2.321 609 3HD1 ILE 82 HD13 ILE 82 5.588 -2.111 -3.481 610 H ALA 83 HN ALA 83 3.180 -4.043 1.476 611 HA ALA 83 HA ALA 83 5.182 -5.933 1.805 612 1HB ALA 83 HB1 ALA 83 3.119 -5.832 3.919 613 2HB ALA 83 HB2 ALA 83 3.879 -4.300 3.486 614 3HB ALA 83 HB3 ALA 83 4.870 -5.654 4.030 615 H ALA 84 HN ALA 84 1.789 -6.367 1.221 616 HA ALA 84 HA ALA 84 1.854 -9.188 1.916 617 1HB ALA 84 HB1 ALA 84 -0.564 -8.788 0.717 618 2HB ALA 84 HB2 ALA 84 -0.219 -7.192 1.381 619 3HB ALA 84 HB3 ALA 84 -0.245 -8.601 2.441 620 H THR 85 HN THR 85 0.178 -7.938 -0.902 621 HA THR 85 HA THR 85 2.053 -9.039 -2.786 622 HB THR 85 HB THR 85 -0.647 -10.357 -2.421 623 HG1 THR 85 HG1 THR 85 1.995 -11.324 -2.084 624 1HG2 THR 85 HG21 THR 85 -0.496 -11.334 -4.408 625 2HG2 THR 85 HG22 THR 85 1.232 -11.638 -4.227 626 3HG2 THR 85 HG23 THR 85 0.668 -10.070 -4.805 627 H VAL 86 HN VAL 86 1.718 -8.294 -4.864 628 HA VAL 86 HA VAL 86 -0.260 -6.157 -5.108 629 HB VAL 86 HB VAL 86 0.975 -5.495 -7.128 630 1HG1 VAL 86 HG11 VAL 86 2.276 -5.747 -4.482 631 2HG1 VAL 86 HG12 VAL 86 1.874 -4.308 -5.418 632 3HG1 VAL 86 HG13 VAL 86 3.299 -5.260 -5.834 633 1HG2 VAL 86 HG21 VAL 86 1.846 -7.389 -8.107 634 2HG2 VAL 86 HG22 VAL 86 2.433 -8.041 -6.577 635 3HG2 VAL 86 HG23 VAL 86 3.283 -6.702 -7.349 636 H HIS 87 HN HIS 87 -0.661 -6.014 -7.797 637 HA HIS 87 HA HIS 87 -2.445 -8.263 -8.235 638 1HB HIS 87 HB2 HIS 87 -2.028 -5.717 -9.817 639 2HB HIS 87 HB1 HIS 87 -3.248 -6.933 -10.174 640 HD1 HIS 87 HD1 HIS 87 -4.554 -4.430 -9.767 641 HD2 HIS 87 HD2 HIS 87 -3.356 -6.675 -6.482 642 HE1 HIS 87 HE1 HIS 87 -5.952 -3.609 -7.845 643 HE2 HIS 87 HE2 HIS 87 -5.287 -5.059 -5.896 Start of MODEL 12 1 1H HIS 1 HT1 HIS 1 -28.048 -15.465 1.951 2 2H HIS 1 HT2 HIS 1 -29.475 -15.662 2.837 3 3H HIS 1 HT3 HIS 1 -28.433 -14.378 3.189 4 HA HIS 1 HA HIS 1 -28.968 -14.056 0.540 5 1HB HIS 1 HB2 HIS 1 -31.453 -14.870 2.066 6 2HB HIS 1 HB1 HIS 1 -31.460 -14.105 0.480 7 HD1 HIS 1 HD1 HIS 1 -29.759 -15.605 -1.272 8 HD2 HIS 1 HD2 HIS 1 -31.760 -17.533 1.818 9 HE1 HIS 1 HE1 HIS 1 -29.838 -18.030 -1.933 10 HE2 HIS 1 HE2 HIS 1 -31.092 -19.172 -0.069 11 H SER 2 HN SER 2 -28.240 -12.020 0.867 12 HA SER 2 HA SER 2 -29.638 -10.343 2.834 13 1HB SER 2 HB2 SER 2 -26.981 -9.887 1.454 14 2HB SER 2 HB1 SER 2 -27.704 -8.828 2.664 15 HG SER 2 HG SER 2 -26.784 -11.486 3.006 16 H SER 3 HN SER 3 -30.143 -8.126 2.223 17 HA SER 3 HA SER 3 -31.195 -8.022 -0.485 18 1HB SER 3 HB2 SER 3 -32.378 -5.997 0.297 19 2HB SER 3 HB1 SER 3 -32.673 -7.377 1.354 20 HG SER 3 HG SER 3 -30.850 -5.248 1.804 21 H GLY 4 HN GLY 4 -28.265 -7.672 0.288 22 1HA GLY 4 HA2 GLY 4 -26.515 -6.523 -0.676 23 2HA GLY 4 HA1 GLY 4 -27.690 -5.635 -1.633 24 H HIS 5 HN HIS 5 -25.325 -4.577 -0.389 25 HA HIS 5 HA HIS 5 -26.525 -2.787 1.617 26 1HB HIS 5 HB2 HIS 5 -23.624 -3.550 1.225 27 2HB HIS 5 HB1 HIS 5 -24.205 -2.374 2.400 28 HD1 HIS 5 HD1 HIS 5 -25.082 -5.996 1.573 29 HD2 HIS 5 HD2 HIS 5 -24.390 -3.512 4.831 30 HE1 HIS 5 HE1 HIS 5 -25.337 -7.460 3.601 31 HE2 HIS 5 HE2 HIS 5 -25.007 -5.915 5.563 32 H ILE 6 HN ILE 6 -26.967 -2.308 -1.088 33 HA ILE 6 HA ILE 6 -25.093 -0.507 -2.222 34 HB ILE 6 HB ILE 6 -28.055 -0.745 -2.783 35 1HG1 ILE 6 HG12 ILE 6 -25.688 -2.040 -4.160 36 2HG1 ILE 6 HG11 ILE 6 -26.830 -2.865 -3.104 37 1HG2 ILE 6 HG21 ILE 6 -27.745 1.054 -4.058 38 2HG2 ILE 6 HG22 ILE 6 -26.721 0.053 -5.087 39 3HG2 ILE 6 HG23 ILE 6 -26.001 1.019 -3.799 40 1HD1 ILE 6 HD11 ILE 6 -28.632 -2.218 -4.725 41 2HD1 ILE 6 HD12 ILE 6 -27.442 -3.371 -5.329 42 3HD1 ILE 6 HD13 ILE 6 -27.353 -1.677 -5.811 43 H ASP 7 HN ASP 7 -24.560 1.008 -0.626 44 HA ASP 7 HA ASP 7 -26.219 3.326 -0.564 45 1HB ASP 7 HB2 ASP 7 -27.375 2.014 1.156 46 2HB ASP 7 HB1 ASP 7 -25.858 1.800 2.025 47 H ASP 8 HN ASP 8 -24.035 2.190 1.986 48 HA ASP 8 HA ASP 8 -21.732 3.490 0.941 49 1HB ASP 8 HB2 ASP 8 -21.544 5.263 2.663 50 2HB ASP 8 HB1 ASP 8 -22.904 5.516 1.575 51 H ASP 9 HN ASP 9 -22.662 0.980 2.217 52 HA ASP 9 HA ASP 9 -21.114 0.907 4.687 53 1HB ASP 9 HB2 ASP 9 -23.303 -0.200 4.669 54 2HB ASP 9 HB1 ASP 9 -22.781 -1.232 3.341 55 H ASP 10 HN ASP 10 -21.322 -1.794 2.464 56 HA ASP 10 HA ASP 10 -18.395 -1.893 2.380 57 1HB ASP 10 HB2 ASP 10 -19.706 -3.885 3.168 58 2HB ASP 10 HB1 ASP 10 -20.374 -4.023 1.546 59 H LYS 11 HN LYS 11 -21.040 -1.014 0.481 60 HA LYS 11 HA LYS 11 -19.824 -1.653 -2.071 61 1HB LYS 11 HB2 LYS 11 -22.361 -0.158 -1.392 62 2HB LYS 11 HB1 LYS 11 -21.843 -0.572 -3.020 63 1HG LYS 11 HG2 LYS 11 -22.450 -2.558 -0.839 64 2HG LYS 11 HG1 LYS 11 -23.547 -2.108 -2.146 65 1HD LYS 11 HD2 LYS 11 -21.881 -2.911 -3.781 66 2HD LYS 11 HD1 LYS 11 -20.844 -3.416 -2.446 67 1HE LYS 11 HE2 LYS 11 -23.634 -4.435 -2.970 68 2HE LYS 11 HE1 LYS 11 -22.146 -5.282 -3.391 69 1HZ LYS 11 HZ1 LYS 11 -23.240 -4.710 -0.707 70 2HZ LYS 11 HZ2 LYS 11 -21.604 -5.084 -0.925 71 3HZ LYS 11 HZ3 LYS 11 -22.793 -6.201 -1.372 72 H HIS 12 HN HIS 12 -19.542 0.800 0.179 73 HA HIS 12 HA HIS 12 -19.370 3.088 -1.450 74 1HB HIS 12 HB2 HIS 12 -18.434 4.152 0.440 75 2HB HIS 12 HB1 HIS 12 -19.535 2.957 1.097 76 HD1 HIS 12 HD1 HIS 12 -17.998 0.485 1.370 77 HD2 HIS 12 HD2 HIS 12 -16.215 4.190 1.965 78 HE1 HIS 12 HE1 HIS 12 -15.966 0.034 2.782 79 HE2 HIS 12 HE2 HIS 12 -14.955 2.303 3.205 80 H MET 13 HN MET 13 -17.209 0.497 -0.698 81 HA MET 13 HA MET 13 -14.894 1.810 -1.866 82 1HB MET 13 HB2 MET 13 -14.633 0.359 0.110 83 2HB MET 13 HB1 MET 13 -15.234 -1.008 -0.817 84 1HG MET 13 HG2 MET 13 -13.314 -0.835 -2.317 85 2HG MET 13 HG1 MET 13 -12.711 0.532 -1.382 86 1HE MET 13 HE1 MET 13 -13.676 -3.331 0.680 87 2HE MET 13 HE2 MET 13 -12.998 -3.735 -0.898 88 3HE MET 13 HE3 MET 13 -14.414 -2.689 -0.787 89 H ALA 14 HN ALA 14 -17.539 0.120 -3.002 90 HA ALA 14 HA ALA 14 -16.143 -1.187 -5.196 91 1HB ALA 14 HB1 ALA 14 -18.001 -2.332 -4.058 92 2HB ALA 14 HB2 ALA 14 -18.295 -2.117 -5.783 93 3HB ALA 14 HB3 ALA 14 -19.097 -1.068 -4.614 94 H GLU 15 HN GLU 15 -17.755 1.795 -4.584 95 HA GLU 15 HA GLU 15 -18.281 2.263 -7.393 96 1HB GLU 15 HB2 GLU 15 -19.167 4.483 -6.488 97 2HB GLU 15 HB1 GLU 15 -20.036 3.018 -6.062 98 1HG GLU 15 HG2 GLU 15 -19.005 3.007 -3.870 99 2HG GLU 15 HG1 GLU 15 -18.064 4.438 -4.289 100 H ARG 16 HN ARG 16 -17.162 4.771 -5.244 101 HA ARG 16 HA ARG 16 -14.559 4.916 -6.516 102 1HB ARG 16 HB2 ARG 16 -16.556 7.177 -6.744 103 2HB ARG 16 HB1 ARG 16 -14.867 7.264 -7.216 104 1HG ARG 16 HG2 ARG 16 -15.263 5.543 -8.917 105 2HG ARG 16 HG1 ARG 16 -16.965 5.491 -8.452 106 1HD ARG 16 HD2 ARG 16 -17.152 7.891 -9.025 107 2HD ARG 16 HD1 ARG 16 -15.478 7.863 -9.577 108 HE ARG 16 HE ARG 16 -16.243 7.027 -11.544 109 1HH1 ARG 16 HH11 ARG 16 -18.528 6.153 -9.056 110 2HH1 ARG 16 HH12 ARG 16 -19.615 5.372 -10.155 111 1HH2 ARG 16 HH21 ARG 16 -17.671 6.001 -12.988 112 2HH2 ARG 16 HH22 ARG 16 -19.128 5.283 -12.385 113 H LEU 17 HN LEU 17 -16.654 5.468 -3.934 114 HA LEU 17 HA LEU 17 -15.414 7.601 -2.603 115 1HB LEU 17 HB2 LEU 17 -17.641 6.618 -2.046 116 2HB LEU 17 HB1 LEU 17 -16.806 5.251 -1.332 117 HG LEU 17 HG LEU 17 -15.781 6.728 0.334 118 1HD1 LEU 17 HD11 LEU 17 -16.914 9.067 0.464 119 2HD1 LEU 17 HD12 LEU 17 -17.173 8.832 -1.264 120 3HD1 LEU 17 HD13 LEU 17 -15.536 8.818 -0.608 121 1HD2 LEU 17 HD21 LEU 17 -18.069 7.526 1.346 122 2HD2 LEU 17 HD22 LEU 17 -17.689 5.808 1.214 123 3HD2 LEU 17 HD23 LEU 17 -18.739 6.573 0.022 124 H SER 18 HN SER 18 -13.300 7.642 -2.263 125 HA SER 18 HA SER 18 -12.131 5.632 -0.516 126 1HB SER 18 HB2 SER 18 -10.136 5.362 -1.950 127 2HB SER 18 HB1 SER 18 -11.594 4.792 -2.760 128 HG SER 18 HG SER 18 -11.235 6.203 -4.259 129 H GLU 19 HN GLU 19 -11.565 6.931 1.134 130 HA GLU 19 HA GLU 19 -11.050 9.657 0.963 131 1HB GLU 19 HB2 GLU 19 -11.603 8.490 3.053 132 2HB GLU 19 HB1 GLU 19 -10.028 7.713 3.037 133 1HG GLU 19 HG2 GLU 19 -8.945 9.888 3.249 134 2HG GLU 19 HG1 GLU 19 -10.523 10.673 3.256 135 H GLU 20 HN GLU 20 -8.558 7.111 1.502 136 HA GLU 20 HA GLU 20 -6.570 9.023 0.564 137 1HB GLU 20 HB2 GLU 20 -5.051 6.905 1.178 138 2HB GLU 20 HB1 GLU 20 -5.558 8.102 2.353 139 1HG GLU 20 HG2 GLU 20 -7.027 5.521 1.875 140 2HG GLU 20 HG1 GLU 20 -5.770 5.729 3.087 141 H GLU 21 HN GLU 21 -7.008 5.527 -0.026 142 HA GLU 21 HA GLU 21 -7.309 5.698 -2.791 143 1HB GLU 21 HB2 GLU 21 -4.954 6.552 -2.647 144 2HB GLU 21 HB1 GLU 21 -4.482 4.997 -1.984 145 1HG GLU 21 HG2 GLU 21 -3.965 5.137 -4.349 146 2HG GLU 21 HG1 GLU 21 -5.173 3.891 -4.038 147 H ILE 22 HN ILE 22 -8.063 4.252 -0.316 148 HA ILE 22 HA ILE 22 -7.186 1.655 -0.154 149 HB ILE 22 HB ILE 22 -9.514 1.100 0.670 150 1HG1 ILE 22 HG12 ILE 22 -10.895 3.184 1.190 151 2HG1 ILE 22 HG11 ILE 22 -9.905 4.019 0.000 152 1HG2 ILE 22 HG21 ILE 22 -7.765 3.240 1.789 153 2HG2 ILE 22 HG22 ILE 22 -8.019 1.587 2.348 154 3HG2 ILE 22 HG23 ILE 22 -9.262 2.810 2.617 155 1HD1 ILE 22 HD11 ILE 22 -11.587 1.590 -0.565 156 2HD1 ILE 22 HD12 ILE 22 -10.688 2.550 -1.739 157 3HD1 ILE 22 HD13 ILE 22 -12.063 3.256 -0.891 158 H GLY 23 HN GLY 23 -8.736 3.055 -2.796 159 1HA GLY 23 HA2 GLY 23 -10.342 1.039 -3.825 160 2HA GLY 23 HA1 GLY 23 -9.448 2.192 -4.802 161 H GLY 24 HN GLY 24 -6.827 1.405 -4.089 162 1HA GLY 24 HA2 GLY 24 -6.667 -1.050 -5.665 163 2HA GLY 24 HA1 GLY 24 -5.341 0.048 -5.315 164 H LEU 25 HN LEU 25 -6.766 -0.294 -2.442 165 HA LEU 25 HA LEU 25 -4.743 -1.758 -1.250 166 1HB LEU 25 HB2 LEU 25 -6.185 -0.299 0.016 167 2HB LEU 25 HB1 LEU 25 -7.582 -1.283 -0.356 168 HG LEU 25 HG LEU 25 -6.597 -1.458 1.995 169 1HD1 LEU 25 HD11 LEU 25 -8.194 -3.076 0.837 170 2HD1 LEU 25 HD12 LEU 25 -7.294 -3.674 2.231 171 3HD1 LEU 25 HD13 LEU 25 -6.782 -4.106 0.600 172 1HD2 LEU 25 HD21 LEU 25 -4.670 -2.697 2.386 173 2HD2 LEU 25 HD22 LEU 25 -4.228 -1.675 1.018 174 3HD2 LEU 25 HD23 LEU 25 -4.651 -3.367 0.754 175 H LYS 26 HN LYS 26 -7.916 -2.867 -2.356 176 HA LYS 26 HA LYS 26 -7.511 -5.531 -1.422 177 1HB LYS 26 HB2 LYS 26 -9.742 -4.576 -1.596 178 2HB LYS 26 HB1 LYS 26 -9.556 -4.413 -3.337 179 1HG LYS 26 HG2 LYS 26 -9.435 -6.828 -3.571 180 2HG LYS 26 HG1 LYS 26 -9.565 -7.015 -1.823 181 1HD LYS 26 HD2 LYS 26 -11.721 -7.422 -2.782 182 2HD LYS 26 HD1 LYS 26 -11.781 -5.880 -1.931 183 1HE LYS 26 HE2 LYS 26 -11.323 -6.149 -4.898 184 2HE LYS 26 HE1 LYS 26 -12.908 -5.901 -4.170 185 1HZ LYS 26 HZ1 LYS 26 -11.360 -3.938 -3.080 186 2HZ LYS 26 HZ2 LYS 26 -12.465 -3.744 -4.345 187 3HZ LYS 26 HZ3 LYS 26 -10.829 -4.006 -4.686 188 H GLU 27 HN GLU 27 -6.932 -3.918 -4.497 189 HA GLU 27 HA GLU 27 -6.566 -6.459 -5.841 190 1HB GLU 27 HB2 GLU 27 -7.653 -4.588 -6.993 191 2HB GLU 27 HB1 GLU 27 -6.167 -3.655 -6.874 192 1HG GLU 27 HG2 GLU 27 -5.017 -5.283 -8.268 193 2HG GLU 27 HG1 GLU 27 -6.488 -6.250 -8.366 194 H LEU 28 HN LEU 28 -4.431 -3.582 -5.771 195 HA LEU 28 HA LEU 28 -2.173 -5.350 -6.187 196 1HB LEU 28 HB2 LEU 28 -0.872 -3.233 -6.462 197 2HB LEU 28 HB1 LEU 28 -2.159 -3.497 -7.619 198 HG LEU 28 HG LEU 28 -2.628 -1.777 -5.204 199 1HD1 LEU 28 HD11 LEU 28 -1.565 0.023 -6.062 200 2HD1 LEU 28 HD12 LEU 28 -1.871 -0.455 -7.731 201 3HD1 LEU 28 HD13 LEU 28 -0.557 -1.206 -6.825 202 1HD2 LEU 28 HD21 LEU 28 -4.642 -2.042 -6.246 203 2HD2 LEU 28 HD22 LEU 28 -3.915 -2.286 -7.834 204 3HD2 LEU 28 HD23 LEU 28 -4.027 -0.662 -7.156 205 H PHE 29 HN PHE 29 -2.825 -2.683 -3.883 206 HA PHE 29 HA PHE 29 -0.628 -2.667 -2.391 207 1HB PHE 29 HB2 PHE 29 -3.090 -1.644 -2.017 208 2HB PHE 29 HB1 PHE 29 -3.038 -2.813 -0.699 209 HD1 PHE 29 HD1 PHE 29 -2.391 -1.931 1.318 210 HD2 PHE 29 HD2 PHE 29 -0.672 -0.380 -2.251 211 HE1 PHE 29 HE1 PHE 29 -1.044 -0.360 2.649 212 HE2 PHE 29 HE2 PHE 29 0.677 1.192 -0.926 213 HZ PHE 29 HZ PHE 29 0.492 1.202 1.529 214 H LYS 30 HN LYS 30 -3.283 -4.863 -1.350 215 HA LYS 30 HA LYS 30 -1.810 -6.206 0.567 216 1HB LYS 30 HB2 LYS 30 -4.074 -7.215 -1.150 217 2HB LYS 30 HB1 LYS 30 -3.416 -8.110 0.213 218 1HG LYS 30 HG2 LYS 30 -3.964 -6.156 1.663 219 2HG LYS 30 HG1 LYS 30 -4.787 -5.435 0.281 220 1HD LYS 30 HD2 LYS 30 -5.465 -8.135 1.439 221 2HD LYS 30 HD1 LYS 30 -6.287 -6.636 1.869 222 1HE LYS 30 HE2 LYS 30 -7.591 -7.791 0.215 223 2HE LYS 30 HE1 LYS 30 -6.904 -6.339 -0.507 224 1HZ LYS 30 HZ1 LYS 30 -5.393 -8.822 -0.787 225 2HZ LYS 30 HZ2 LYS 30 -5.569 -7.535 -1.870 226 3HZ LYS 30 HZ3 LYS 30 -6.811 -8.670 -1.700 227 H MET 31 HN MET 31 -2.123 -6.999 -2.878 228 HA MET 31 HA MET 31 -0.730 -9.406 -2.878 229 1HB MET 31 HB2 MET 31 -1.977 -8.585 -4.815 230 2HB MET 31 HB1 MET 31 -0.813 -7.285 -5.032 231 1HG MET 31 HG2 MET 31 -0.447 -9.096 -6.615 232 2HG MET 31 HG1 MET 31 0.929 -8.894 -5.532 233 1HE MET 31 HE1 MET 31 -2.182 -11.626 -6.284 234 2HE MET 31 HE2 MET 31 -2.502 -10.291 -5.177 235 3HE MET 31 HE3 MET 31 -2.301 -11.928 -4.551 236 H ILE 32 HN ILE 32 0.425 -6.209 -2.413 237 HA ILE 32 HA ILE 32 3.194 -6.935 -2.998 238 HB ILE 32 HB ILE 32 2.013 -4.299 -2.105 239 1HG1 ILE 32 HG12 ILE 32 1.331 -4.940 -4.376 240 2HG1 ILE 32 HG11 ILE 32 2.439 -3.572 -4.412 241 1HG2 ILE 32 HG21 ILE 32 4.749 -5.246 -2.252 242 2HG2 ILE 32 HG22 ILE 32 4.098 -3.774 -1.530 243 3HG2 ILE 32 HG23 ILE 32 4.483 -3.816 -3.250 244 1HD1 ILE 32 HD11 ILE 32 3.430 -4.763 -6.031 245 2HD1 ILE 32 HD12 ILE 32 2.756 -6.292 -5.468 246 3HD1 ILE 32 HD13 ILE 32 4.179 -5.612 -4.679 247 H ASP 33 HN ASP 33 1.406 -5.411 -0.344 248 HA ASP 33 HA ASP 33 3.367 -5.641 1.613 249 1HB ASP 33 HB2 ASP 33 1.378 -4.219 1.846 250 2HB ASP 33 HB1 ASP 33 0.358 -5.651 1.942 251 H THR 34 HN THR 34 4.321 -7.468 2.239 252 HA THR 34 HA THR 34 3.242 -10.046 1.926 253 HB THR 34 HB THR 34 5.420 -9.127 3.817 254 HG1 THR 34 HG1 THR 34 6.724 -9.971 1.994 255 1HG2 THR 34 HG21 THR 34 5.990 -11.243 4.234 256 2HG2 THR 34 HG22 THR 34 5.618 -11.776 2.594 257 3HG2 THR 34 HG23 THR 34 4.325 -11.605 3.781 258 H ASP 35 HN ASP 35 2.462 -7.626 4.092 259 HA ASP 35 HA ASP 35 1.657 -9.423 6.233 260 1HB ASP 35 HB2 ASP 35 2.803 -7.248 6.724 261 2HB ASP 35 HB1 ASP 35 1.372 -6.425 6.114 262 H ASN 36 HN ASN 36 0.271 -7.726 3.538 263 HA ASN 36 HA ASN 36 -1.884 -7.521 2.808 264 1HB ASN 36 HB2 ASN 36 -2.200 -10.014 4.496 265 2HB ASN 36 HB1 ASN 36 -3.424 -9.412 3.385 266 1HD2 ASN 36 HD21 ASN 36 -0.669 -8.625 1.900 267 2HD2 ASN 36 HD22 ASN 36 -0.403 -10.046 0.957 268 H SER 37 HN SER 37 -0.982 -6.520 5.605 269 HA SER 37 HA SER 37 -3.467 -6.395 7.072 270 1HB SER 37 HB2 SER 37 -2.202 -4.967 8.639 271 2HB SER 37 HB1 SER 37 -1.328 -6.455 8.279 272 HG SER 37 HG SER 37 -0.830 -3.846 7.312 273 H GLY 38 HN GLY 38 -1.864 -4.623 4.641 274 1HA GLY 38 HA2 GLY 38 -3.186 -3.043 3.343 275 2HA GLY 38 HA1 GLY 38 -3.932 -2.515 4.845 276 H THR 39 HN THR 39 -0.648 -3.080 5.210 277 HA THR 39 HA THR 39 0.237 -0.443 4.394 278 HB THR 39 HB THR 39 1.137 0.076 6.666 279 HG1 THR 39 HG1 THR 39 -0.641 -1.550 7.951 280 1HG2 THR 39 HG21 THR 39 -0.980 1.102 5.943 281 2HG2 THR 39 HG22 THR 39 -0.893 0.849 7.686 282 3HG2 THR 39 HG23 THR 39 -1.853 -0.240 6.685 283 H ILE 40 HN ILE 40 2.355 -0.466 3.828 284 HA ILE 40 HA ILE 40 3.814 -2.974 4.297 285 HB ILE 40 HB ILE 40 4.136 -0.812 2.211 286 1HG1 ILE 40 HG12 ILE 40 3.682 -3.760 1.827 287 2HG1 ILE 40 HG11 ILE 40 2.348 -2.619 2.003 288 1HG2 ILE 40 HG21 ILE 40 5.939 -3.139 2.829 289 2HG2 ILE 40 HG22 ILE 40 6.358 -1.428 2.735 290 3HG2 ILE 40 HG23 ILE 40 5.931 -2.314 1.271 291 1HD1 ILE 40 HD11 ILE 40 3.046 -3.266 -0.353 292 2HD1 ILE 40 HD12 ILE 40 4.472 -2.264 -0.081 293 3HD1 ILE 40 HD13 ILE 40 2.863 -1.546 -0.010 294 H THR 41 HN THR 41 5.983 -2.944 4.980 295 HA THR 41 HA THR 41 7.039 -0.384 5.958 296 HB THR 41 HB THR 41 7.729 -1.452 8.072 297 HG1 THR 41 HG1 THR 41 7.545 -3.515 8.332 298 1HG2 THR 41 HG21 THR 41 4.825 -1.377 7.401 299 2HG2 THR 41 HG22 THR 41 5.763 -0.327 8.463 300 3HG2 THR 41 HG23 THR 41 5.357 -1.965 8.976 301 H PHE 42 HN PHE 42 9.253 -0.201 5.839 302 HA PHE 42 HA PHE 42 10.730 -1.358 3.950 303 1HB PHE 42 HB2 PHE 42 11.545 0.535 5.187 304 2HB PHE 42 HB1 PHE 42 11.663 -0.418 6.663 305 HD1 PHE 42 HD1 PHE 42 12.804 -0.951 3.155 306 HD2 PHE 42 HD2 PHE 42 13.840 -0.704 7.271 307 HE1 PHE 42 HE1 PHE 42 15.117 -1.544 2.603 308 HE2 PHE 42 HE2 PHE 42 16.159 -1.291 6.727 309 HZ PHE 42 HZ PHE 42 16.810 -1.715 4.387 310 H ASP 43 HN ASP 43 10.165 -2.721 7.141 311 HA ASP 43 HA ASP 43 12.105 -4.737 7.123 312 1HB ASP 43 HB2 ASP 43 10.803 -4.155 9.124 313 2HB ASP 43 HB1 ASP 43 9.346 -4.794 8.368 314 H GLU 44 HN GLU 44 8.724 -4.831 6.068 315 HA GLU 44 HA GLU 44 9.068 -7.457 4.884 316 1HB GLU 44 HB2 GLU 44 6.633 -7.023 4.192 317 2HB GLU 44 HB1 GLU 44 6.969 -7.199 5.908 318 1HG GLU 44 HG2 GLU 44 7.008 -4.726 6.085 319 2HG GLU 44 HG1 GLU 44 6.523 -4.643 4.392 320 H LEU 45 HN LEU 45 9.357 -4.201 3.969 321 HA LEU 45 HA LEU 45 8.603 -4.233 1.290 322 1HB LEU 45 HB2 LEU 45 9.211 -2.224 2.676 323 2HB LEU 45 HB1 LEU 45 10.895 -2.657 2.446 324 HG LEU 45 HG LEU 45 10.485 -2.487 -0.044 325 1HD1 LEU 45 HD11 LEU 45 8.434 -0.723 -0.239 326 2HD1 LEU 45 HD12 LEU 45 7.824 -1.832 0.990 327 3HD1 LEU 45 HD13 LEU 45 8.313 -2.447 -0.590 328 1HD2 LEU 45 HD21 LEU 45 11.518 -0.551 0.258 329 2HD2 LEU 45 HD22 LEU 45 10.929 -0.474 1.918 330 3HD2 LEU 45 HD23 LEU 45 9.969 0.215 0.608 331 H LYS 46 HN LYS 46 11.908 -4.475 2.596 332 HA LYS 46 HA LYS 46 13.182 -5.158 0.227 333 1HB LYS 46 HB2 LYS 46 14.991 -6.047 1.699 334 2HB LYS 46 HB1 LYS 46 14.463 -4.423 2.117 335 1HG LYS 46 HG2 LYS 46 13.106 -5.334 3.936 336 2HG LYS 46 HG1 LYS 46 13.647 -6.961 3.518 337 1HD LYS 46 HD2 LYS 46 15.948 -6.341 4.013 338 2HD LYS 46 HD1 LYS 46 15.442 -4.689 4.372 339 1HE LYS 46 HE2 LYS 46 15.767 -5.954 6.425 340 2HE LYS 46 HE1 LYS 46 14.070 -5.518 6.224 341 1HZ LYS 46 HZ1 LYS 46 14.611 -8.038 5.040 342 2HZ LYS 46 HZ2 LYS 46 13.501 -7.645 6.254 343 3HZ LYS 46 HZ3 LYS 46 15.096 -8.036 6.661 344 H ASP 47 HN ASP 47 11.675 -7.221 2.666 345 HA ASP 47 HA ASP 47 12.550 -9.711 1.880 346 1HB ASP 47 HB2 ASP 47 11.099 -9.188 3.856 347 2HB ASP 47 HB1 ASP 47 9.729 -9.067 2.757 348 H GLY 48 HN GLY 48 10.641 -7.538 0.090 349 1HA GLY 48 HA2 GLY 48 9.227 -9.467 -1.498 350 2HA GLY 48 HA1 GLY 48 9.382 -7.749 -1.839 351 H LEU 49 HN LEU 49 11.948 -7.280 -2.193 352 HA LEU 49 HA LEU 49 12.563 -8.767 -4.611 353 1HB LEU 49 HB2 LEU 49 13.864 -6.346 -3.357 354 2HB LEU 49 HB1 LEU 49 14.385 -7.072 -4.863 355 HG LEU 49 HG LEU 49 13.073 -5.129 -5.361 356 1HD1 LEU 49 HD11 LEU 49 12.228 -7.787 -6.135 357 2HD1 LEU 49 HD12 LEU 49 12.419 -6.330 -7.110 358 3HD1 LEU 49 HD13 LEU 49 10.913 -6.616 -6.238 359 1HD2 LEU 49 HD21 LEU 49 10.776 -4.854 -4.642 360 2HD2 LEU 49 HD22 LEU 49 11.839 -5.003 -3.243 361 3HD2 LEU 49 HD23 LEU 49 10.850 -6.373 -3.749 362 H LYS 50 HN LYS 50 13.355 -8.866 -1.338 363 HA LYS 50 HA LYS 50 16.048 -9.795 -1.609 364 1HB LYS 50 HB2 LYS 50 15.192 -8.635 0.421 365 2HB LYS 50 HB1 LYS 50 14.203 -10.047 0.765 366 1HG LYS 50 HG2 LYS 50 16.194 -11.418 0.996 367 2HG LYS 50 HG1 LYS 50 17.210 -10.030 0.601 368 1HD LYS 50 HD2 LYS 50 16.369 -8.862 2.588 369 2HD LYS 50 HD1 LYS 50 15.379 -10.268 2.988 370 1HE LYS 50 HE2 LYS 50 17.393 -11.629 3.208 371 2HE LYS 50 HE1 LYS 50 18.389 -10.238 2.780 372 1HZ LYS 50 HZ1 LYS 50 16.548 -9.949 5.033 373 2HZ LYS 50 HZ2 LYS 50 18.084 -9.281 4.801 374 3HZ LYS 50 HZ3 LYS 50 17.929 -10.899 5.271 375 H ARG 51 HN ARG 51 12.895 -11.281 -1.030 376 HA ARG 51 HA ARG 51 13.611 -13.886 -0.532 377 1HB ARG 51 HB2 ARG 51 11.301 -13.115 -0.442 378 2HB ARG 51 HB1 ARG 51 11.282 -12.897 -2.186 379 1HG ARG 51 HG2 ARG 51 10.127 -14.927 -1.599 380 2HG ARG 51 HG1 ARG 51 11.609 -15.316 -2.475 381 1HD ARG 51 HD2 ARG 51 11.376 -16.830 -0.619 382 2HD ARG 51 HD1 ARG 51 12.727 -15.741 -0.307 383 HE ARG 51 HE ARG 51 11.631 -15.059 1.563 384 1HH1 ARG 51 HH11 ARG 51 9.268 -16.303 -0.679 385 2HH1 ARG 51 HH12 ARG 51 7.932 -16.058 0.396 386 1HH2 ARG 51 HH21 ARG 51 9.875 -14.735 2.982 387 2HH2 ARG 51 HH22 ARG 51 8.276 -15.163 2.472 388 H VAL 52 HN VAL 52 13.551 -12.208 -3.626 389 HA VAL 52 HA VAL 52 14.176 -14.646 -5.076 390 HB VAL 52 HB VAL 52 14.178 -13.251 -7.090 391 1HG1 VAL 52 HG11 VAL 52 12.001 -13.866 -5.469 392 2HG1 VAL 52 HG12 VAL 52 11.967 -13.473 -7.188 393 3HG1 VAL 52 HG13 VAL 52 11.724 -12.203 -5.988 394 1HG2 VAL 52 HG21 VAL 52 14.868 -11.182 -5.459 395 2HG2 VAL 52 HG22 VAL 52 13.163 -10.846 -5.755 396 3HG2 VAL 52 HG23 VAL 52 14.279 -11.008 -7.111 397 H GLY 53 HN GLY 53 15.814 -11.825 -3.824 398 1HA GLY 53 HA2 GLY 53 18.024 -11.188 -3.840 399 2HA GLY 53 HA1 GLY 53 18.332 -12.913 -3.730 400 H SER 54 HN SER 54 17.045 -10.881 -6.368 401 HA SER 54 HA SER 54 18.823 -12.232 -8.223 402 1HB SER 54 HB2 SER 54 16.494 -11.828 -8.888 403 2HB SER 54 HB1 SER 54 16.739 -10.090 -8.714 404 HG SER 54 HG SER 54 16.947 -10.929 -10.899 405 H GLU 55 HN GLU 55 18.041 -8.881 -8.732 406 HA GLU 55 HA GLU 55 20.794 -8.088 -8.106 407 1HB GLU 55 HB2 GLU 55 20.649 -8.597 -10.530 408 2HB GLU 55 HB1 GLU 55 19.367 -7.403 -10.684 409 1HG GLU 55 HG2 GLU 55 20.909 -5.645 -10.000 410 2HG GLU 55 HG1 GLU 55 22.195 -6.838 -9.820 411 H LEU 56 HN LEU 56 19.332 -7.376 -6.256 412 HA LEU 56 HA LEU 56 18.031 -4.819 -6.865 413 1HB LEU 56 HB2 LEU 56 17.190 -5.142 -4.422 414 2HB LEU 56 HB1 LEU 56 16.425 -6.006 -5.740 415 HG LEU 56 HG LEU 56 16.790 -7.352 -3.665 416 1HD1 LEU 56 HD11 LEU 56 16.506 -8.932 -5.203 417 2HD1 LEU 56 HD12 LEU 56 18.260 -9.116 -5.174 418 3HD1 LEU 56 HD13 LEU 56 17.503 -8.080 -6.383 419 1HD2 LEU 56 HD21 LEU 56 19.694 -7.109 -4.430 420 2HD2 LEU 56 HD22 LEU 56 19.043 -8.196 -3.203 421 3HD2 LEU 56 HD23 LEU 56 18.936 -6.450 -2.981 422 H MET 57 HN MET 57 18.074 -3.348 -4.795 423 HA MET 57 HA MET 57 20.860 -3.171 -3.854 424 1HB MET 57 HB2 MET 57 19.055 -0.861 -4.603 425 2HB MET 57 HB1 MET 57 20.693 -0.729 -3.981 426 1HG MET 57 HG2 MET 57 21.553 -1.824 -5.974 427 2HG MET 57 HG1 MET 57 19.910 -1.998 -6.590 428 1HE MET 57 HE1 MET 57 22.761 1.047 -5.921 429 2HE MET 57 HE2 MET 57 21.650 0.638 -4.614 430 3HE MET 57 HE3 MET 57 21.437 2.138 -5.517 431 H GLU 58 HN GLU 58 20.763 -3.692 -1.745 432 HA GLU 58 HA GLU 58 18.528 -3.497 -0.088 433 1HB GLU 58 HB2 GLU 58 20.518 -4.862 0.434 434 2HB GLU 58 HB1 GLU 58 21.448 -3.395 0.707 435 1HG GLU 58 HG2 GLU 58 19.985 -2.817 2.578 436 2HG GLU 58 HG1 GLU 58 19.058 -4.291 2.305 437 H SER 59 HN SER 59 20.520 -1.084 -1.330 438 HA SER 59 HA SER 59 20.050 0.833 0.805 439 1HB SER 59 HB2 SER 59 22.215 0.860 -0.351 440 2HB SER 59 HB1 SER 59 21.402 1.169 -1.885 441 HG SER 59 HG SER 59 20.585 2.981 -0.113 442 H GLU 60 HN GLU 60 19.027 0.251 -2.531 443 HA GLU 60 HA GLU 60 17.461 2.589 -2.796 444 1HB GLU 60 HB2 GLU 60 18.248 1.328 -4.738 445 2HB GLU 60 HB1 GLU 60 17.282 -0.058 -4.250 446 1HG GLU 60 HG2 GLU 60 15.244 1.250 -4.578 447 2HG GLU 60 HG1 GLU 60 16.216 2.635 -5.071 448 H ILE 61 HN ILE 61 16.833 -0.633 -1.572 449 HA ILE 61 HA ILE 61 14.068 -0.678 -1.539 450 HB ILE 61 HB ILE 61 15.857 -1.735 0.653 451 1HG1 ILE 61 HG12 ILE 61 14.897 -3.117 -1.864 452 2HG1 ILE 61 HG11 ILE 61 16.525 -2.493 -1.626 453 1HG2 ILE 61 HG21 ILE 61 13.046 -1.696 0.358 454 2HG2 ILE 61 HG22 ILE 61 14.004 -2.517 1.591 455 3HG2 ILE 61 HG23 ILE 61 13.581 -3.357 0.099 456 1HD1 ILE 61 HD11 ILE 61 17.073 -4.478 -0.819 457 2HD1 ILE 61 HD12 ILE 61 15.389 -5.002 -0.817 458 3HD1 ILE 61 HD13 ILE 61 16.045 -4.136 0.572 459 H LYS 62 HN LYS 62 16.241 0.564 1.009 460 HA LYS 62 HA LYS 62 14.027 1.627 2.512 461 1HB LYS 62 HB2 LYS 62 15.729 2.457 4.058 462 2HB LYS 62 HB1 LYS 62 15.998 0.766 3.670 463 1HG LYS 62 HG2 LYS 62 18.125 1.536 3.511 464 2HG LYS 62 HG1 LYS 62 17.600 1.798 1.848 465 1HD LYS 62 HD2 LYS 62 18.737 3.770 2.619 466 2HD LYS 62 HD1 LYS 62 17.020 4.134 2.457 467 1HE LYS 62 HE2 LYS 62 16.716 3.858 4.855 468 2HE LYS 62 HE1 LYS 62 18.416 3.429 5.036 469 1HZ LYS 62 HZ1 LYS 62 17.763 5.989 3.773 470 2HZ LYS 62 HZ2 LYS 62 19.086 5.570 4.739 471 3HZ LYS 62 HZ3 LYS 62 17.580 5.861 5.450 472 H ASP 63 HN ASP 63 16.409 2.858 0.252 473 HA ASP 63 HA ASP 63 15.924 5.622 0.713 474 1HB ASP 63 HB2 ASP 63 17.153 4.077 -1.561 475 2HB ASP 63 HB1 ASP 63 16.896 5.813 -1.681 476 H LEU 64 HN LEU 64 14.173 3.161 -0.838 477 HA LEU 64 HA LEU 64 12.706 4.913 -2.615 478 1HB LEU 64 HB2 LEU 64 13.344 2.427 -2.991 479 2HB LEU 64 HB1 LEU 64 11.978 2.075 -1.949 480 HG LEU 64 HG LEU 64 11.394 1.893 -4.327 481 1HD1 LEU 64 HD11 LEU 64 9.358 3.159 -4.277 482 2HD1 LEU 64 HD12 LEU 64 10.011 4.245 -3.050 483 3HD1 LEU 64 HD13 LEU 64 9.691 2.556 -2.654 484 1HD2 LEU 64 HD21 LEU 64 11.347 4.750 -4.866 485 2HD2 LEU 64 HD22 LEU 64 11.922 3.416 -5.866 486 3HD2 LEU 64 HD23 LEU 64 12.979 4.121 -4.642 487 H MET 65 HN MET 65 11.921 2.862 0.207 488 HA MET 65 HA MET 65 9.283 3.849 0.476 489 1HB MET 65 HB2 MET 65 9.346 2.770 2.712 490 2HB MET 65 HB1 MET 65 9.854 1.709 1.408 491 1HG MET 65 HG2 MET 65 11.345 1.288 3.149 492 2HG MET 65 HG1 MET 65 12.234 2.320 2.032 493 1HE MET 65 HE1 MET 65 9.604 3.976 4.972 494 2HE MET 65 HE2 MET 65 10.621 3.146 6.150 495 3HE MET 65 HE3 MET 65 9.849 2.233 4.854 496 H ASP 66 HN ASP 66 12.362 5.025 1.550 497 HA ASP 66 HA ASP 66 11.517 6.646 3.687 498 1HB ASP 66 HB2 ASP 66 13.881 6.097 3.243 499 2HB ASP 66 HB1 ASP 66 13.834 7.096 1.794 500 H ALA 67 HN ALA 67 11.590 7.199 0.211 501 HA ALA 67 HA ALA 67 10.696 9.954 0.554 502 1HB ALA 67 HB1 ALA 67 12.288 8.718 -1.331 503 2HB ALA 67 HB2 ALA 67 11.610 10.342 -1.439 504 3HB ALA 67 HB3 ALA 67 10.765 8.983 -2.179 505 H ALA 68 HN ALA 68 9.452 6.825 -0.339 506 HA ALA 68 HA ALA 68 7.026 7.782 -1.515 507 1HB ALA 68 HB1 ALA 68 8.117 5.130 -0.737 508 2HB ALA 68 HB2 ALA 68 7.477 5.682 -2.285 509 3HB ALA 68 HB3 ALA 68 6.375 5.279 -0.968 510 H ASP 69 HN ASP 69 8.109 7.814 1.602 511 HA ASP 69 HA ASP 69 5.371 7.844 2.660 512 1HB ASP 69 HB2 ASP 69 6.231 5.883 3.587 513 2HB ASP 69 HB1 ASP 69 7.836 6.573 3.817 514 H ILE 70 HN ILE 70 4.973 9.933 2.846 515 HA ILE 70 HA ILE 70 7.004 11.816 3.656 516 HB ILE 70 HB ILE 70 4.082 12.158 3.006 517 1HG1 ILE 70 HG12 ILE 70 6.575 12.909 1.469 518 2HG1 ILE 70 HG11 ILE 70 5.540 11.530 1.118 519 1HG2 ILE 70 HG21 ILE 70 4.205 14.418 3.364 520 2HG2 ILE 70 HG22 ILE 70 5.951 14.472 3.125 521 3HG2 ILE 70 HG23 ILE 70 5.287 13.849 4.635 522 1HD1 ILE 70 HD11 ILE 70 5.347 14.086 0.062 523 2HD1 ILE 70 HD12 ILE 70 4.014 13.972 1.212 524 3HD1 ILE 70 HD13 ILE 70 4.167 12.784 -0.082 525 H ASP 71 HN ASP 71 4.413 10.047 5.166 526 HA ASP 71 HA ASP 71 4.074 11.773 7.411 527 1HB ASP 71 HB2 ASP 71 3.429 8.830 7.147 528 2HB ASP 71 HB1 ASP 71 2.857 9.895 8.427 529 H LYS 72 HN LYS 72 6.779 10.298 6.565 530 HA LYS 72 HA LYS 72 8.508 9.186 7.616 531 1HB LYS 72 HB2 LYS 72 9.505 10.623 9.366 532 2HB LYS 72 HB1 LYS 72 9.026 11.516 7.932 533 1HG LYS 72 HG2 LYS 72 7.186 11.356 10.280 534 2HG LYS 72 HG1 LYS 72 8.538 12.486 10.275 535 1HD LYS 72 HD2 LYS 72 7.713 13.518 8.245 536 2HD LYS 72 HD1 LYS 72 6.403 12.340 8.149 537 1HE LYS 72 HE2 LYS 72 5.512 13.174 10.276 538 2HE LYS 72 HE1 LYS 72 6.815 14.359 10.353 539 1HZ LYS 72 HZ1 LYS 72 5.979 15.322 8.279 540 2HZ LYS 72 HZ2 LYS 72 4.816 15.370 9.506 541 3HZ LYS 72 HZ3 LYS 72 4.697 14.216 8.276 542 H SER 73 HN SER 73 6.236 7.813 8.309 543 HA SER 73 HA SER 73 6.488 7.346 11.198 544 1HB SER 73 HB2 SER 73 4.341 6.139 11.003 545 2HB SER 73 HB1 SER 73 4.209 7.799 10.420 546 HG SER 73 HG SER 73 3.929 7.096 8.428 547 H GLY 74 HN GLY 74 7.689 6.208 8.354 548 1HA GLY 74 HA2 GLY 74 9.077 4.371 8.034 549 2HA GLY 74 HA1 GLY 74 8.561 3.745 9.593 550 H THR 75 HN THR 75 5.803 4.528 7.976 551 HA THR 75 HA THR 75 5.602 1.860 6.734 552 HB THR 75 HB THR 75 3.261 1.758 7.486 553 HG1 THR 75 HG1 THR 75 3.064 3.512 9.343 554 1HG2 THR 75 HG21 THR 75 4.801 2.419 9.952 555 2HG2 THR 75 HG22 THR 75 5.218 1.004 8.987 556 3HG2 THR 75 HG23 THR 75 3.604 1.153 9.681 557 H ILE 76 HN ILE 76 5.031 1.897 4.653 558 HA ILE 76 HA ILE 76 4.147 4.422 3.496 559 HB ILE 76 HB ILE 76 5.973 3.405 2.334 560 1HG1 ILE 76 HG12 ILE 76 3.395 3.014 0.794 561 2HG1 ILE 76 HG11 ILE 76 4.304 4.515 0.929 562 1HG2 ILE 76 HG21 ILE 76 5.203 1.090 1.154 563 2HG2 ILE 76 HG22 ILE 76 4.410 0.952 2.723 564 3HG2 ILE 76 HG23 ILE 76 6.155 1.189 2.635 565 1HD1 ILE 76 HD11 ILE 76 5.231 1.991 -0.422 566 2HD1 ILE 76 HD12 ILE 76 6.173 3.474 -0.264 567 3HD1 ILE 76 HD13 ILE 76 4.687 3.469 -1.214 568 H ASP 77 HN ASP 77 2.107 4.832 3.047 569 HA ASP 77 HA ASP 77 0.284 2.552 2.616 570 1HB ASP 77 HB2 ASP 77 -1.525 3.963 3.584 571 2HB ASP 77 HB1 ASP 77 -0.254 3.579 4.741 572 H TYR 78 HN TYR 78 -1.649 3.103 1.304 573 HA TYR 78 HA TYR 78 -0.928 4.139 -1.179 574 1HB TYR 78 HB2 TYR 78 -3.642 4.379 -1.246 575 2HB TYR 78 HB1 TYR 78 -2.771 2.888 -1.562 576 HD1 TYR 78 HD1 TYR 78 -3.988 4.781 1.442 577 HD2 TYR 78 HD2 TYR 78 -3.597 1.036 -0.536 578 HE1 TYR 78 HE1 TYR 78 -5.176 3.682 3.296 579 HE2 TYR 78 HE2 TYR 78 -4.780 -0.072 1.302 580 HH TYR 78 HH TYR 78 -5.167 0.414 3.804 581 H GLY 79 HN GLY 79 -1.699 5.831 1.647 582 1HA GLY 79 HA2 GLY 79 -2.816 8.163 0.364 583 2HA GLY 79 HA1 GLY 79 -2.340 8.026 2.049 584 H GLU 80 HN GLU 80 0.357 7.087 1.356 585 HA GLU 80 HA GLU 80 1.556 9.695 0.936 586 1HB GLU 80 HB2 GLU 80 2.864 7.028 1.491 587 2HB GLU 80 HB1 GLU 80 3.644 8.603 1.567 588 1HG GLU 80 HG2 GLU 80 2.246 9.246 3.425 589 2HG GLU 80 HG1 GLU 80 1.360 7.725 3.316 590 H PHE 81 HN PHE 81 1.934 6.445 -0.449 591 HA PHE 81 HA PHE 81 3.662 6.787 -2.471 592 1HB PHE 81 HB2 PHE 81 2.610 4.661 -2.129 593 2HB PHE 81 HB1 PHE 81 1.029 5.310 -2.549 594 HD1 PHE 81 HD1 PHE 81 4.382 5.426 -4.201 595 HD2 PHE 81 HD2 PHE 81 0.265 4.387 -4.493 596 HE1 PHE 81 HE1 PHE 81 4.723 4.748 -6.542 597 HE2 PHE 81 HE2 PHE 81 0.598 3.706 -6.833 598 HZ PHE 81 HZ PHE 81 2.829 3.885 -7.861 599 H ILE 82 HN ILE 82 0.297 7.904 -2.534 600 HA ILE 82 HA ILE 82 0.196 8.704 -5.219 601 HB ILE 82 HB ILE 82 -1.241 9.879 -2.835 602 1HG1 ILE 82 HG12 ILE 82 -2.125 7.855 -4.906 603 2HG1 ILE 82 HG11 ILE 82 -1.694 7.488 -3.239 604 1HG2 ILE 82 HG21 ILE 82 -2.818 10.312 -5.044 605 2HG2 ILE 82 HG22 ILE 82 -1.194 10.651 -5.644 606 3HG2 ILE 82 HG23 ILE 82 -1.814 11.519 -4.240 607 1HD1 ILE 82 HD11 ILE 82 -3.578 9.216 -2.693 608 2HD1 ILE 82 HD12 ILE 82 -3.975 7.549 -3.110 609 3HD1 ILE 82 HD13 ILE 82 -4.120 8.821 -4.323 610 H ALA 83 HN ALA 83 0.781 10.726 -2.336 611 HA ALA 83 HA ALA 83 1.503 13.037 -3.784 612 1HB ALA 83 HB1 ALA 83 0.746 13.086 -1.447 613 2HB ALA 83 HB2 ALA 83 2.290 13.911 -1.660 614 3HB ALA 83 HB3 ALA 83 2.244 12.295 -0.956 615 H ALA 84 HN ALA 84 3.185 10.150 -3.172 616 HA ALA 84 HA ALA 84 5.843 11.180 -3.144 617 1HB ALA 84 HB1 ALA 84 5.775 9.081 -2.225 618 2HB ALA 84 HB2 ALA 84 6.311 8.695 -3.860 619 3HB ALA 84 HB3 ALA 84 4.619 8.479 -3.413 620 H THR 85 HN THR 85 5.629 12.668 -4.950 621 HA THR 85 HA THR 85 6.710 11.565 -7.349 622 HB THR 85 HB THR 85 4.377 11.053 -7.797 623 HG1 THR 85 HG1 THR 85 5.208 13.336 -9.259 624 1HG2 THR 85 HG21 THR 85 2.787 12.997 -8.143 625 2HG2 THR 85 HG22 THR 85 3.894 13.936 -7.141 626 3HG2 THR 85 HG23 THR 85 3.105 12.503 -6.480 627 H VAL 86 HN VAL 86 7.936 13.053 -8.361 628 HA VAL 86 HA VAL 86 8.951 15.024 -8.862 629 HB VAL 86 HB VAL 86 6.380 16.304 -7.917 630 1HG1 VAL 86 HG11 VAL 86 7.081 18.301 -8.843 631 2HG1 VAL 86 HG12 VAL 86 8.285 17.523 -9.870 632 3HG1 VAL 86 HG13 VAL 86 8.574 17.681 -8.138 633 1HG2 VAL 86 HG21 VAL 86 6.658 16.374 -10.732 634 2HG2 VAL 86 HG22 VAL 86 5.445 15.524 -9.775 635 3HG2 VAL 86 HG23 VAL 86 6.949 14.714 -10.213 636 H HIS 87 HN HIS 87 7.008 16.289 -6.176 637 HA HIS 87 HA HIS 87 9.443 17.135 -4.838 638 1HB HIS 87 HB2 HIS 87 6.529 17.596 -4.173 639 2HB HIS 87 HB1 HIS 87 7.878 18.274 -3.269 640 HD1 HIS 87 HD1 HIS 87 9.631 19.612 -5.100 641 HD2 HIS 87 HD2 HIS 87 5.558 19.415 -5.901 642 HE1 HIS 87 HE1 HIS 87 9.172 21.489 -6.708 643 HE2 HIS 87 HE2 HIS 87 6.704 21.338 -7.197 Start of MODEL 13 1 1H HIS 1 HT1 HIS 1 -19.015 17.695 -3.231 2 2H HIS 1 HT2 HIS 1 -17.392 18.153 -3.367 3 3H HIS 1 HT3 HIS 1 -17.835 16.536 -3.590 4 HA HIS 1 HA HIS 1 -18.602 18.808 -5.332 5 1HB HIS 1 HB2 HIS 1 -16.228 18.137 -5.478 6 2HB HIS 1 HB1 HIS 1 -16.723 16.477 -5.790 7 HD1 HIS 1 HD1 HIS 1 -17.509 19.861 -7.370 8 HD2 HIS 1 HD2 HIS 1 -16.594 15.947 -8.426 9 HE1 HIS 1 HE1 HIS 1 -17.461 19.837 -9.884 10 HE2 HIS 1 HE2 HIS 1 -16.834 17.475 -10.500 11 H SER 2 HN SER 2 -18.568 15.266 -4.945 12 HA SER 2 HA SER 2 -20.774 15.044 -6.849 13 1HB SER 2 HB2 SER 2 -20.352 12.613 -6.731 14 2HB SER 2 HB1 SER 2 -18.891 13.508 -7.149 15 HG SER 2 HG SER 2 -18.114 13.196 -5.112 16 H SER 3 HN SER 3 -22.620 13.664 -6.319 17 HA SER 3 HA SER 3 -23.760 14.397 -3.819 18 1HB SER 3 HB2 SER 3 -25.691 13.007 -4.567 19 2HB SER 3 HB1 SER 3 -25.182 14.194 -5.766 20 HG SER 3 HG SER 3 -23.794 12.040 -6.272 21 H GLY 4 HN GLY 4 -23.499 11.106 -5.138 22 1HA GLY 4 HA2 GLY 4 -22.046 9.556 -3.768 23 2HA GLY 4 HA1 GLY 4 -22.942 10.178 -2.391 24 H HIS 5 HN HIS 5 -23.477 8.609 -5.539 25 HA HIS 5 HA HIS 5 -25.552 6.968 -4.249 26 1HB HIS 5 HB2 HIS 5 -25.636 8.268 -6.971 27 2HB HIS 5 HB1 HIS 5 -26.723 6.971 -6.491 28 HD1 HIS 5 HD1 HIS 5 -27.931 7.647 -3.989 29 HD2 HIS 5 HD2 HIS 5 -26.809 10.666 -6.615 30 HE1 HIS 5 HE1 HIS 5 -29.278 9.660 -3.314 31 HE2 HIS 5 HE2 HIS 5 -28.657 11.444 -4.981 32 H ILE 6 HN ILE 6 -22.609 6.706 -5.129 33 HA ILE 6 HA ILE 6 -22.800 4.472 -6.990 34 HB ILE 6 HB ILE 6 -20.378 5.792 -5.752 35 1HG1 ILE 6 HG12 ILE 6 -19.995 6.508 -8.158 36 2HG1 ILE 6 HG11 ILE 6 -21.636 5.968 -8.495 37 1HG2 ILE 6 HG21 ILE 6 -19.366 3.856 -6.237 38 2HG2 ILE 6 HG22 ILE 6 -19.472 4.395 -7.913 39 3HG2 ILE 6 HG23 ILE 6 -20.695 3.305 -7.258 40 1HD1 ILE 6 HD11 ILE 6 -21.532 7.756 -6.223 41 2HD1 ILE 6 HD12 ILE 6 -22.504 7.842 -7.692 42 3HD1 ILE 6 HD13 ILE 6 -20.861 8.485 -7.682 43 H ASP 7 HN ASP 7 -23.027 2.461 -6.291 44 HA ASP 7 HA ASP 7 -22.539 1.837 -3.491 45 1HB ASP 7 HB2 ASP 7 -23.681 -0.280 -3.976 46 2HB ASP 7 HB1 ASP 7 -24.642 1.093 -4.515 47 H ASP 8 HN ASP 8 -20.280 2.348 -5.224 48 HA ASP 8 HA ASP 8 -18.982 -0.296 -5.132 49 1HB ASP 8 HB2 ASP 8 -19.237 0.505 -7.439 50 2HB ASP 8 HB1 ASP 8 -18.401 1.996 -7.021 51 H ASP 9 HN ASP 9 -19.035 2.856 -3.912 52 HA ASP 9 HA ASP 9 -16.589 2.360 -2.429 53 1HB ASP 9 HB2 ASP 9 -15.637 4.580 -2.974 54 2HB ASP 9 HB1 ASP 9 -15.731 3.522 -4.378 55 H ASP 10 HN ASP 10 -19.581 4.044 -2.886 56 HA ASP 10 HA ASP 10 -19.294 5.448 -0.343 57 1HB ASP 10 HB2 ASP 10 -20.102 6.803 -2.159 58 2HB ASP 10 HB1 ASP 10 -21.353 5.622 -2.534 59 H LYS 11 HN LYS 11 -21.697 3.437 -1.977 60 HA LYS 11 HA LYS 11 -22.959 2.791 0.559 61 1HB LYS 11 HB2 LYS 11 -23.675 1.947 -2.254 62 2HB LYS 11 HB1 LYS 11 -24.642 1.639 -0.819 63 1HG LYS 11 HG2 LYS 11 -23.956 4.366 -1.897 64 2HG LYS 11 HG1 LYS 11 -25.486 3.524 -2.141 65 1HD LYS 11 HD2 LYS 11 -24.343 4.297 0.544 66 2HD LYS 11 HD1 LYS 11 -25.583 5.202 -0.325 67 1HE LYS 11 HE2 LYS 11 -27.060 3.249 -0.239 68 2HE LYS 11 HE1 LYS 11 -25.820 2.351 0.636 69 1HZ LYS 11 HZ1 LYS 11 -27.003 3.102 2.391 70 2HZ LYS 11 HZ2 LYS 11 -27.600 4.457 1.575 71 3HZ LYS 11 HZ3 LYS 11 -26.027 4.471 2.197 72 H HIS 12 HN HIS 12 -20.475 1.557 -1.306 73 HA HIS 12 HA HIS 12 -20.897 -1.222 -1.063 74 1HB HIS 12 HB2 HIS 12 -18.814 -1.450 -2.009 75 2HB HIS 12 HB1 HIS 12 -19.183 0.194 -2.499 76 HD1 HIS 12 HD1 HIS 12 -18.314 1.949 -0.354 77 HD2 HIS 12 HD2 HIS 12 -16.262 -1.571 -1.168 78 HE1 HIS 12 HE1 HIS 12 -16.018 2.269 0.623 79 HE2 HIS 12 HE2 HIS 12 -14.827 0.088 0.204 80 H MET 13 HN MET 13 -20.108 1.182 1.156 81 HA MET 13 HA MET 13 -18.390 -0.006 2.961 82 1HB MET 13 HB2 MET 13 -19.503 1.414 4.692 83 2HB MET 13 HB1 MET 13 -19.014 2.280 3.245 84 1HG MET 13 HG2 MET 13 -21.139 3.099 3.834 85 2HG MET 13 HG1 MET 13 -21.379 2.057 2.435 86 1HE MET 13 HE1 MET 13 -20.684 1.237 6.107 87 2HE MET 13 HE2 MET 13 -22.214 0.613 6.724 88 3HE MET 13 HE3 MET 13 -22.022 2.341 6.426 89 H ALA 14 HN ALA 14 -21.595 -0.956 2.210 90 HA ALA 14 HA ALA 14 -22.393 -2.120 4.636 91 1HB ALA 14 HB1 ALA 14 -23.308 -3.632 2.354 92 2HB ALA 14 HB2 ALA 14 -23.445 -1.896 2.071 93 3HB ALA 14 HB3 ALA 14 -24.221 -2.625 3.477 94 H GLU 15 HN GLU 15 -20.306 -3.282 2.070 95 HA GLU 15 HA GLU 15 -19.692 -5.637 3.721 96 1HB GLU 15 HB2 GLU 15 -19.931 -5.572 0.709 97 2HB GLU 15 HB1 GLU 15 -19.392 -6.953 1.654 98 1HG GLU 15 HG2 GLU 15 -21.575 -7.065 2.740 99 2HG GLU 15 HG1 GLU 15 -22.116 -5.679 1.795 100 H ARG 16 HN ARG 16 -18.289 -3.151 3.721 101 HA ARG 16 HA ARG 16 -15.925 -3.530 2.087 102 1HB ARG 16 HB2 ARG 16 -15.169 -1.431 2.921 103 2HB ARG 16 HB1 ARG 16 -16.890 -1.262 2.607 104 1HG ARG 16 HG2 ARG 16 -17.369 -1.506 4.975 105 2HG ARG 16 HG1 ARG 16 -15.652 -1.742 5.311 106 1HD ARG 16 HD2 ARG 16 -15.242 0.520 4.309 107 2HD ARG 16 HD1 ARG 16 -16.990 0.738 4.244 108 HE ARG 16 HE ARG 16 -15.351 1.126 6.493 109 1HH1 ARG 16 HH11 ARG 16 -18.426 -0.265 5.623 110 2HH1 ARG 16 HH12 ARG 16 -19.121 -0.024 7.191 111 1HH2 ARG 16 HH21 ARG 16 -16.260 1.448 8.553 112 2HH2 ARG 16 HH22 ARG 16 -17.891 0.950 8.855 113 H LEU 17 HN LEU 17 -16.884 -5.253 4.501 114 HA LEU 17 HA LEU 17 -14.795 -5.066 6.429 115 1HB LEU 17 HB2 LEU 17 -16.742 -7.291 5.816 116 2HB LEU 17 HB1 LEU 17 -15.635 -7.304 7.173 117 HG LEU 17 HG LEU 17 -17.826 -6.677 7.942 118 1HD1 LEU 17 HD11 LEU 17 -16.228 -4.136 7.885 119 2HD1 LEU 17 HD12 LEU 17 -15.758 -5.534 8.852 120 3HD1 LEU 17 HD13 LEU 17 -17.301 -4.733 9.151 121 1HD2 LEU 17 HD21 LEU 17 -18.537 -5.773 5.675 122 2HD2 LEU 17 HD22 LEU 17 -17.767 -4.262 6.159 123 3HD2 LEU 17 HD23 LEU 17 -19.113 -4.907 7.098 124 H SER 18 HN SER 18 -12.745 -5.409 5.856 125 HA SER 18 HA SER 18 -12.050 -7.970 4.658 126 1HB SER 18 HB2 SER 18 -10.550 -6.898 2.992 127 2HB SER 18 HB1 SER 18 -12.251 -6.527 2.708 128 HG SER 18 HG SER 18 -11.908 -4.489 3.215 129 H GLU 19 HN GLU 19 -10.972 -8.636 6.456 130 HA GLU 19 HA GLU 19 -9.179 -6.959 7.916 131 1HB GLU 19 HB2 GLU 19 -9.524 -9.962 7.963 132 2HB GLU 19 HB1 GLU 19 -8.596 -9.030 9.130 133 1HG GLU 19 HG2 GLU 19 -10.623 -7.865 9.821 134 2HG GLU 19 HG1 GLU 19 -11.557 -8.788 8.645 135 H GLU 20 HN GLU 20 -8.917 -8.700 5.036 136 HA GLU 20 HA GLU 20 -6.165 -9.436 5.179 137 1HB GLU 20 HB2 GLU 20 -7.931 -9.020 2.761 138 2HB GLU 20 HB1 GLU 20 -6.367 -9.825 2.762 139 1HG GLU 20 HG2 GLU 20 -7.253 -11.569 4.212 140 2HG GLU 20 HG1 GLU 20 -8.817 -10.755 4.242 141 H GLU 21 HN GLU 21 -7.800 -6.487 4.614 142 HA GLU 21 HA GLU 21 -5.294 -5.283 3.638 143 1HB GLU 21 HB2 GLU 21 -8.123 -4.406 3.033 144 2HB GLU 21 HB1 GLU 21 -6.665 -3.585 2.493 145 1HG GLU 21 HG2 GLU 21 -6.032 -5.559 1.201 146 2HG GLU 21 HG1 GLU 21 -7.495 -6.380 1.742 147 H ILE 22 HN ILE 22 -8.302 -4.557 5.393 148 HA ILE 22 HA ILE 22 -7.559 -2.129 6.508 149 HB ILE 22 HB ILE 22 -9.336 -4.237 7.745 150 1HG1 ILE 22 HG12 ILE 22 -10.020 -1.891 5.958 151 2HG1 ILE 22 HG11 ILE 22 -10.009 -3.579 5.458 152 1HG2 ILE 22 HG21 ILE 22 -10.412 -2.094 8.720 153 2HG2 ILE 22 HG22 ILE 22 -8.848 -1.354 8.381 154 3HG2 ILE 22 HG23 ILE 22 -8.952 -2.736 9.471 155 1HD1 ILE 22 HD11 ILE 22 -12.080 -2.065 6.744 156 2HD1 ILE 22 HD12 ILE 22 -11.662 -3.486 7.702 157 3HD1 ILE 22 HD13 ILE 22 -12.147 -3.670 6.016 158 H GLY 23 HN GLY 23 -6.283 -5.223 7.182 159 1HA GLY 23 HA2 GLY 23 -5.680 -5.161 9.879 160 2HA GLY 23 HA1 GLY 23 -4.650 -5.895 8.659 161 H GLY 24 HN GLY 24 -3.346 -4.180 7.361 162 1HA GLY 24 HA2 GLY 24 -1.997 -2.514 9.361 163 2HA GLY 24 HA1 GLY 24 -1.338 -2.997 7.805 164 H LEU 25 HN LEU 25 -4.197 -2.219 6.822 165 HA LEU 25 HA LEU 25 -3.542 0.176 5.592 166 1HB LEU 25 HB2 LEU 25 -5.331 -1.393 4.903 167 2HB LEU 25 HB1 LEU 25 -6.297 -0.863 6.262 168 HG LEU 25 HG LEU 25 -5.403 1.171 4.260 169 1HD1 LEU 25 HD11 LEU 25 -6.264 -0.638 2.888 170 2HD1 LEU 25 HD12 LEU 25 -7.411 0.701 2.922 171 3HD1 LEU 25 HD13 LEU 25 -7.708 -0.740 3.895 172 1HD2 LEU 25 HD21 LEU 25 -7.922 1.782 4.852 173 2HD2 LEU 25 HD22 LEU 25 -6.575 2.263 5.883 174 3HD2 LEU 25 HD23 LEU 25 -7.539 0.846 6.297 175 H LYS 26 HN LYS 26 -4.291 -0.287 8.854 176 HA LYS 26 HA LYS 26 -5.491 2.329 9.214 177 1HB LYS 26 HB2 LYS 26 -4.732 0.191 11.202 178 2HB LYS 26 HB1 LYS 26 -5.539 1.696 11.617 179 1HG LYS 26 HG2 LYS 26 -7.433 1.065 10.200 180 2HG LYS 26 HG1 LYS 26 -6.623 -0.452 9.808 181 1HD LYS 26 HD2 LYS 26 -8.220 -0.903 11.526 182 2HD LYS 26 HD1 LYS 26 -6.616 -0.987 12.252 183 1HE LYS 26 HE2 LYS 26 -8.401 1.440 12.367 184 2HE LYS 26 HE1 LYS 26 -8.325 0.212 13.628 185 1HZ LYS 26 HZ1 LYS 26 -6.489 2.350 13.029 186 2HZ LYS 26 HZ2 LYS 26 -5.732 0.860 13.288 187 3HZ LYS 26 HZ3 LYS 26 -6.741 1.513 14.478 188 H GLU 27 HN GLU 27 -2.755 0.760 10.898 189 HA GLU 27 HA GLU 27 -1.645 3.373 11.472 190 1HB GLU 27 HB2 GLU 27 -0.702 0.627 12.276 191 2HB GLU 27 HB1 GLU 27 -0.074 2.148 12.896 192 1HG GLU 27 HG2 GLU 27 -2.258 2.670 13.851 193 2HG GLU 27 HG1 GLU 27 -2.894 1.148 13.226 194 H LEU 28 HN LEU 28 -0.041 0.383 10.412 195 HA LEU 28 HA LEU 28 2.245 1.741 9.494 196 1HB LEU 28 HB2 LEU 28 1.294 -1.069 9.015 197 2HB LEU 28 HB1 LEU 28 2.873 -0.476 8.537 198 HG LEU 28 HG LEU 28 1.848 -0.597 11.375 199 1HD1 LEU 28 HD11 LEU 28 3.933 -2.291 10.011 200 2HD1 LEU 28 HD12 LEU 28 2.280 -2.806 10.347 201 3HD1 LEU 28 HD13 LEU 28 3.374 -2.431 11.679 202 1HD2 LEU 28 HD21 LEU 28 4.470 -0.308 11.651 203 2HD2 LEU 28 HD22 LEU 28 3.387 1.078 11.524 204 3HD2 LEU 28 HD23 LEU 28 4.286 0.529 10.109 205 H PHE 29 HN PHE 29 0.114 -0.271 7.460 206 HA PHE 29 HA PHE 29 1.076 0.231 5.034 207 1HB PHE 29 HB2 PHE 29 -1.063 -1.049 5.686 208 2HB PHE 29 HB1 PHE 29 -1.894 0.467 5.344 209 HD1 PHE 29 HD1 PHE 29 0.077 -2.271 3.907 210 HD2 PHE 29 HD2 PHE 29 -2.107 1.289 3.100 211 HE1 PHE 29 HE1 PHE 29 0.100 -2.807 1.511 212 HE2 PHE 29 HE2 PHE 29 -2.092 0.755 0.703 213 HZ PHE 29 HZ PHE 29 -0.988 -1.295 -0.097 214 H LYS 30 HN LYS 30 -1.122 2.542 6.652 215 HA LYS 30 HA LYS 30 -1.236 4.359 4.501 216 1HB LYS 30 HB2 LYS 30 -1.556 4.826 7.468 217 2HB LYS 30 HB1 LYS 30 -1.902 6.036 6.239 218 1HG LYS 30 HG2 LYS 30 -3.604 4.563 5.278 219 2HG LYS 30 HG1 LYS 30 -3.265 3.368 6.530 220 1HD LYS 30 HD2 LYS 30 -5.229 4.647 7.130 221 2HD LYS 30 HD1 LYS 30 -3.913 5.020 8.244 222 1HE LYS 30 HE2 LYS 30 -3.443 7.073 7.012 223 2HE LYS 30 HE1 LYS 30 -4.732 6.693 5.870 224 1HZ LYS 30 HZ1 LYS 30 -6.225 7.564 7.237 225 2HZ LYS 30 HZ2 LYS 30 -4.962 8.117 8.216 226 3HZ LYS 30 HZ3 LYS 30 -5.692 6.626 8.541 227 H MET 31 HN MET 31 0.815 4.352 7.396 228 HA MET 31 HA MET 31 2.312 6.641 6.721 229 1HB MET 31 HB2 MET 31 2.177 5.688 8.999 230 2HB MET 31 HB1 MET 31 3.115 4.303 8.461 231 1HG MET 31 HG2 MET 31 4.995 5.797 7.949 232 2HG MET 31 HG1 MET 31 4.054 7.161 8.548 233 1HE MET 31 HE1 MET 31 4.158 3.490 10.085 234 2HE MET 31 HE2 MET 31 5.533 3.664 11.176 235 3HE MET 31 HE3 MET 31 5.771 3.777 9.432 236 H ILE 32 HN ILE 32 2.334 3.516 5.400 237 HA ILE 32 HA ILE 32 5.121 3.661 4.539 238 HB ILE 32 HB ILE 32 3.049 1.521 4.020 239 1HG1 ILE 32 HG12 ILE 32 5.366 1.569 5.969 240 2HG1 ILE 32 HG11 ILE 32 3.669 1.742 6.405 241 1HG2 ILE 32 HG21 ILE 32 4.812 0.176 3.155 242 2HG2 ILE 32 HG22 ILE 32 6.030 1.360 3.629 243 3HG2 ILE 32 HG23 ILE 32 4.895 1.734 2.332 244 1HD1 ILE 32 HD11 ILE 32 3.561 -0.452 6.635 245 2HD1 ILE 32 HD12 ILE 32 5.211 -0.631 6.039 246 3HD1 ILE 32 HD13 ILE 32 3.861 -0.621 4.905 247 H ASP 33 HN ASP 33 1.967 3.112 3.025 248 HA ASP 33 HA ASP 33 2.798 3.582 0.392 249 1HB ASP 33 HB2 ASP 33 0.603 2.518 1.294 250 2HB ASP 33 HB1 ASP 33 0.011 4.174 1.363 251 H THR 34 HN THR 34 3.929 5.460 0.074 252 HA THR 34 HA THR 34 3.355 7.948 1.227 253 HB THR 34 HB THR 34 4.656 7.369 -1.448 254 HG1 THR 34 HG1 THR 34 5.543 6.438 0.604 255 1HG2 THR 34 HG21 THR 34 4.682 9.586 -1.666 256 2HG2 THR 34 HG22 THR 34 5.932 9.540 -0.422 257 3HG2 THR 34 HG23 THR 34 4.255 9.856 0.024 258 H ASP 35 HN ASP 35 1.637 6.131 -0.961 259 HA ASP 35 HA ASP 35 0.234 8.443 -2.081 260 1HB ASP 35 HB2 ASP 35 1.295 6.764 -3.632 261 2HB ASP 35 HB1 ASP 35 0.124 5.595 -3.038 262 H ASN 36 HN ASN 36 -0.088 5.793 0.111 263 HA ASN 36 HA ASN 36 -1.869 4.977 1.278 264 1HB ASN 36 HB2 ASN 36 -2.838 7.806 0.822 265 2HB ASN 36 HB1 ASN 36 -3.568 6.677 1.959 266 1HD2 ASN 36 HD21 ASN 36 -1.499 9.186 1.697 267 2HD2 ASN 36 HD22 ASN 36 -0.532 8.923 3.105 268 H SER 37 HN SER 37 -1.987 5.115 -1.847 269 HA SER 37 HA SER 37 -4.802 5.163 -2.422 270 1HB SER 37 HB2 SER 37 -4.182 4.374 -4.645 271 2HB SER 37 HB1 SER 37 -3.087 5.666 -4.156 272 HG SER 37 HG SER 37 -1.874 3.603 -3.315 273 H GLY 38 HN GLY 38 -2.600 2.960 -1.133 274 1HA GLY 38 HA2 GLY 38 -3.552 1.011 0.002 275 2HA GLY 38 HA1 GLY 38 -4.624 0.808 -1.372 276 H THR 39 HN THR 39 -1.623 1.663 -2.508 277 HA THR 39 HA THR 39 -0.503 -1.024 -2.488 278 HB THR 39 HB THR 39 -0.244 -1.025 -4.969 279 HG1 THR 39 HG1 THR 39 -1.421 0.424 -6.180 280 1HG2 THR 39 HG21 THR 39 -2.813 -1.221 -5.462 281 2HG2 THR 39 HG22 THR 39 -2.922 -1.168 -3.702 282 3HG2 THR 39 HG23 THR 39 -1.970 -2.426 -4.489 283 H ILE 40 HN ILE 40 1.677 -0.967 -2.398 284 HA ILE 40 HA ILE 40 2.934 1.669 -2.802 285 HB ILE 40 HB ILE 40 3.840 -0.718 -1.192 286 1HG1 ILE 40 HG12 ILE 40 3.874 1.031 0.631 287 2HG1 ILE 40 HG11 ILE 40 3.065 2.111 -0.501 288 1HG2 ILE 40 HG21 ILE 40 5.436 1.354 -2.429 289 2HG2 ILE 40 HG22 ILE 40 5.943 -0.115 -1.595 290 3HG2 ILE 40 HG23 ILE 40 5.608 1.351 -0.674 291 1HD1 ILE 40 HD11 ILE 40 1.852 0.396 1.267 292 2HD1 ILE 40 HD12 ILE 40 1.745 -0.465 -0.269 293 3HD1 ILE 40 HD13 ILE 40 1.089 1.165 -0.123 294 H THR 41 HN THR 41 4.467 1.998 -4.305 295 HA THR 41 HA THR 41 5.597 -0.355 -5.673 296 HB THR 41 HB THR 41 5.472 0.817 -7.806 297 HG1 THR 41 HG1 THR 41 5.049 2.865 -7.919 298 1HG2 THR 41 HG21 THR 41 3.185 -0.053 -6.398 299 2HG2 THR 41 HG22 THR 41 3.449 0.009 -8.141 300 3HG2 THR 41 HG23 THR 41 2.743 1.393 -7.305 301 H PHE 42 HN PHE 42 7.761 -0.216 -6.143 302 HA PHE 42 HA PHE 42 9.570 0.997 -4.657 303 1HB PHE 42 HB2 PHE 42 10.139 -0.619 -6.380 304 2HB PHE 42 HB1 PHE 42 9.784 0.557 -7.639 305 HD1 PHE 42 HD1 PHE 42 11.763 0.737 -4.488 306 HD2 PHE 42 HD2 PHE 42 11.709 1.129 -8.721 307 HE1 PHE 42 HE1 PHE 42 14.099 1.478 -4.443 308 HE2 PHE 42 HE2 PHE 42 14.048 1.872 -8.686 309 HZ PHE 42 HZ PHE 42 15.256 2.049 -6.545 310 H ASP 43 HN ASP 43 8.299 2.490 -7.639 311 HA ASP 43 HA ASP 43 9.794 4.841 -7.561 312 1HB ASP 43 HB2 ASP 43 8.407 4.135 -9.485 313 2HB ASP 43 HB1 ASP 43 6.955 4.493 -8.557 314 H GLU 44 HN GLU 44 6.687 4.069 -6.072 315 HA GLU 44 HA GLU 44 6.462 6.670 -4.818 316 1HB GLU 44 HB2 GLU 44 4.770 4.227 -4.290 317 2HB GLU 44 HB1 GLU 44 4.343 5.911 -4.020 318 1HG GLU 44 HG2 GLU 44 4.322 6.300 -6.417 319 2HG GLU 44 HG1 GLU 44 4.788 4.629 -6.705 320 H LEU 45 HN LEU 45 7.770 3.590 -4.067 321 HA LEU 45 HA LEU 45 7.504 3.611 -1.277 322 1HB LEU 45 HB2 LEU 45 8.018 1.589 -2.553 323 2HB LEU 45 HB1 LEU 45 9.596 2.244 -2.954 324 HG LEU 45 HG LEU 45 10.176 2.256 -0.545 325 1HD1 LEU 45 HD11 LEU 45 8.140 0.418 0.322 326 2HD1 LEU 45 HD12 LEU 45 7.425 1.945 -0.195 327 3HD1 LEU 45 HD13 LEU 45 8.672 1.932 1.052 328 1HD2 LEU 45 HD21 LEU 45 9.629 -0.487 -0.566 329 2HD2 LEU 45 HD22 LEU 45 11.104 0.325 -1.093 330 3HD2 LEU 45 HD23 LEU 45 9.822 -0.015 -2.255 331 H LYS 46 HN LYS 46 10.473 4.094 -3.177 332 HA LYS 46 HA LYS 46 12.047 5.069 -1.111 333 1HB LYS 46 HB2 LYS 46 13.518 5.958 -2.873 334 2HB LYS 46 HB1 LYS 46 12.994 4.315 -3.215 335 1HG LYS 46 HG2 LYS 46 11.321 5.171 -4.777 336 2HG LYS 46 HG1 LYS 46 11.851 6.819 -4.437 337 1HD LYS 46 HD2 LYS 46 13.593 4.640 -5.589 338 2HD LYS 46 HD1 LYS 46 12.812 5.914 -6.527 339 1HE LYS 46 HE2 LYS 46 14.844 6.324 -4.334 340 2HE LYS 46 HE1 LYS 46 15.159 6.438 -6.064 341 1HZ LYS 46 HZ1 LYS 46 13.024 8.110 -5.586 342 2HZ LYS 46 HZ2 LYS 46 14.619 8.569 -5.905 343 3HZ LYS 46 HZ3 LYS 46 14.094 8.396 -4.306 344 H ASP 47 HN ASP 47 9.787 6.745 -3.186 345 HA ASP 47 HA ASP 47 10.541 9.388 -2.726 346 1HB ASP 47 HB2 ASP 47 8.851 8.549 -4.401 347 2HB ASP 47 HB1 ASP 47 7.707 8.410 -3.073 348 H GLY 48 HN GLY 48 9.261 7.098 -0.592 349 1HA GLY 48 HA2 GLY 48 8.053 9.069 1.189 350 2HA GLY 48 HA1 GLY 48 8.047 7.325 1.410 351 H LEU 49 HN LEU 49 10.812 6.884 1.074 352 HA LEU 49 HA LEU 49 11.729 7.820 3.674 353 1HB LEU 49 HB2 LEU 49 12.874 5.781 1.766 354 2HB LEU 49 HB1 LEU 49 13.576 6.186 3.321 355 HG LEU 49 HG LEU 49 10.850 4.958 2.889 356 1HD1 LEU 49 HD11 LEU 49 12.033 3.081 4.215 357 2HD1 LEU 49 HD12 LEU 49 13.519 3.843 3.649 358 3HD1 LEU 49 HD13 LEU 49 12.342 3.235 2.486 359 1HD2 LEU 49 HD21 LEU 49 11.948 6.395 5.108 360 2HD2 LEU 49 HD22 LEU 49 11.717 4.704 5.556 361 3HD2 LEU 49 HD23 LEU 49 10.359 5.648 4.941 362 H LYS 50 HN LYS 50 12.055 8.653 0.425 363 HA LYS 50 HA LYS 50 14.712 9.735 0.693 364 1HB LYS 50 HB2 LYS 50 14.652 10.245 -1.600 365 2HB LYS 50 HB1 LYS 50 13.790 8.720 -1.452 366 1HG LYS 50 HG2 LYS 50 11.669 9.851 -1.626 367 2HG LYS 50 HG1 LYS 50 12.476 11.419 -1.651 368 1HD LYS 50 HD2 LYS 50 12.863 9.252 -3.716 369 2HD LYS 50 HD1 LYS 50 11.781 10.633 -3.899 370 1HE LYS 50 HE2 LYS 50 13.692 12.152 -3.677 371 2HE LYS 50 HE1 LYS 50 14.770 10.768 -3.502 372 1HZ LYS 50 HZ1 LYS 50 14.935 10.685 -5.694 373 2HZ LYS 50 HZ2 LYS 50 13.862 11.981 -5.862 374 3HZ LYS 50 HZ3 LYS 50 13.273 10.396 -5.827 375 H ARG 51 HN ARG 51 11.393 10.887 0.378 376 HA ARG 51 HA ARG 51 11.949 13.644 0.360 377 1HB ARG 51 HB2 ARG 51 9.752 12.678 -0.223 378 2HB ARG 51 HB1 ARG 51 9.515 12.220 1.456 379 1HG ARG 51 HG2 ARG 51 8.259 14.198 1.038 380 2HG ARG 51 HG1 ARG 51 9.625 14.629 2.066 381 1HD ARG 51 HD2 ARG 51 9.585 14.971 -0.929 382 2HD ARG 51 HD1 ARG 51 9.159 16.242 0.214 383 HE ARG 51 HE ARG 51 11.687 15.281 0.901 384 1HH1 ARG 51 HH11 ARG 51 10.144 16.989 -1.715 385 2HH1 ARG 51 HH12 ARG 51 11.576 17.851 -2.168 386 1HH2 ARG 51 HH21 ARG 51 13.577 16.415 0.312 387 2HH2 ARG 51 HH22 ARG 51 13.526 17.525 -1.016 388 H VAL 52 HN VAL 52 12.273 11.326 2.805 389 HA VAL 52 HA VAL 52 11.868 13.051 5.064 390 HB VAL 52 HB VAL 52 13.192 10.342 4.842 391 1HG1 VAL 52 HG11 VAL 52 13.758 10.426 6.989 392 2HG1 VAL 52 HG12 VAL 52 12.175 11.049 7.454 393 3HG1 VAL 52 HG13 VAL 52 13.439 12.158 6.923 394 1HG2 VAL 52 HG21 VAL 52 10.669 10.562 6.280 395 2HG2 VAL 52 HG22 VAL 52 11.168 9.418 5.035 396 3HG2 VAL 52 HG23 VAL 52 10.540 11.001 4.577 397 H GLY 53 HN GLY 53 14.567 12.079 3.058 398 1HA GLY 53 HA2 GLY 53 16.773 12.717 3.017 399 2HA GLY 53 HA1 GLY 53 16.174 14.251 3.626 400 H SER 54 HN SER 54 16.363 11.015 5.125 401 HA SER 54 HA SER 54 17.578 12.267 7.464 402 1HB SER 54 HB2 SER 54 17.182 10.025 8.530 403 2HB SER 54 HB1 SER 54 15.718 10.820 7.952 404 HG SER 54 HG SER 54 15.965 9.504 6.021 405 H GLU 55 HN GLU 55 18.234 8.932 6.744 406 HA GLU 55 HA GLU 55 20.934 9.525 5.829 407 1HB GLU 55 HB2 GLU 55 21.874 7.943 7.549 408 2HB GLU 55 HB1 GLU 55 21.296 9.476 8.183 409 1HG GLU 55 HG2 GLU 55 20.623 7.746 9.673 410 2HG GLU 55 HG1 GLU 55 19.189 8.349 8.846 411 H LEU 56 HN LEU 56 18.402 8.232 4.862 412 HA LEU 56 HA LEU 56 19.214 5.463 4.488 413 1HB LEU 56 HB2 LEU 56 16.747 6.973 3.657 414 2HB LEU 56 HB1 LEU 56 17.038 5.288 3.266 415 HG LEU 56 HG LEU 56 16.796 6.416 6.061 416 1HD1 LEU 56 HD11 LEU 56 14.610 5.900 6.069 417 2HD1 LEU 56 HD12 LEU 56 14.833 4.474 5.057 418 3HD1 LEU 56 HD13 LEU 56 14.758 6.075 4.321 419 1HD2 LEU 56 HD21 LEU 56 16.965 3.552 5.131 420 2HD2 LEU 56 HD22 LEU 56 16.800 4.112 6.795 421 3HD2 LEU 56 HD23 LEU 56 18.277 4.452 5.893 422 H MET 57 HN MET 57 19.559 4.486 2.553 423 HA MET 57 HA MET 57 20.256 6.298 0.346 424 1HB MET 57 HB2 MET 57 22.152 5.030 1.396 425 2HB MET 57 HB1 MET 57 21.370 3.538 0.891 426 1HG MET 57 HG2 MET 57 21.586 4.193 -1.439 427 2HG MET 57 HG1 MET 57 22.325 5.716 -0.953 428 1HE MET 57 HE1 MET 57 24.017 5.615 0.924 429 2HE MET 57 HE2 MET 57 25.541 5.337 0.083 430 3HE MET 57 HE3 MET 57 25.010 4.218 1.338 431 H GLU 58 HN GLU 58 19.400 5.927 -1.614 432 HA GLU 58 HA GLU 58 16.992 4.609 -1.934 433 1HB GLU 58 HB2 GLU 58 17.341 4.869 -4.349 434 2HB GLU 58 HB1 GLU 58 17.765 6.327 -3.466 435 1HG GLU 58 HG2 GLU 58 20.124 5.758 -3.633 436 2HG GLU 58 HG1 GLU 58 19.712 4.273 -4.489 437 H SER 59 HN SER 59 20.008 3.220 -1.648 438 HA SER 59 HA SER 59 19.652 0.950 -3.359 439 1HB SER 59 HB2 SER 59 21.679 0.079 -2.252 440 2HB SER 59 HB1 SER 59 21.896 1.744 -2.791 441 HG SER 59 HG SER 59 21.221 0.946 -0.151 442 H GLU 60 HN GLU 60 18.970 1.691 -0.016 443 HA GLU 60 HA GLU 60 18.511 -1.009 0.791 444 1HB GLU 60 HB2 GLU 60 17.649 1.594 2.065 445 2HB GLU 60 HB1 GLU 60 17.565 0.013 2.827 446 1HG GLU 60 HG2 GLU 60 19.994 -0.181 2.705 447 2HG GLU 60 HG1 GLU 60 20.081 1.404 1.938 448 H ILE 61 HN ILE 61 16.668 1.442 -0.779 449 HA ILE 61 HA ILE 61 14.064 0.607 -0.099 450 HB ILE 61 HB ILE 61 14.921 1.912 -2.684 451 1HG1 ILE 61 HG12 ILE 61 15.768 3.187 -0.771 452 2HG1 ILE 61 HG11 ILE 61 14.456 4.054 -1.562 453 1HG2 ILE 61 HG21 ILE 61 12.751 2.275 -3.142 454 2HG2 ILE 61 HG22 ILE 61 12.336 2.569 -1.454 455 3HG2 ILE 61 HG23 ILE 61 12.485 0.916 -2.050 456 1HD1 ILE 61 HD11 ILE 61 13.302 2.468 0.465 457 2HD1 ILE 61 HD12 ILE 61 13.433 4.225 0.386 458 3HD1 ILE 61 HD13 ILE 61 14.706 3.280 1.159 459 H LYS 62 HN LYS 62 16.440 -0.753 -2.161 460 HA LYS 62 HA LYS 62 14.692 -2.192 -3.913 461 1HB LYS 62 HB2 LYS 62 17.515 -2.975 -3.223 462 2HB LYS 62 HB1 LYS 62 16.649 -3.234 -4.733 463 1HG LYS 62 HG2 LYS 62 17.425 -0.551 -3.650 464 2HG LYS 62 HG1 LYS 62 18.361 -1.454 -4.847 465 1HD LYS 62 HD2 LYS 62 15.489 -0.598 -5.211 466 2HD LYS 62 HD1 LYS 62 16.875 0.299 -5.825 467 1HE LYS 62 HE2 LYS 62 16.013 -1.015 -7.619 468 2HE LYS 62 HE1 LYS 62 17.532 -1.745 -7.106 469 1HZ LYS 62 HZ1 LYS 62 16.483 -3.565 -6.267 470 2HZ LYS 62 HZ2 LYS 62 15.396 -3.183 -7.506 471 3HZ LYS 62 HZ3 LYS 62 15.050 -2.738 -5.911 472 H ASP 63 HN ASP 63 16.925 -3.357 -1.399 473 HA ASP 63 HA ASP 63 15.779 -5.896 -1.129 474 1HB ASP 63 HB2 ASP 63 17.999 -5.316 -0.213 475 2HB ASP 63 HB1 ASP 63 17.235 -4.250 0.962 476 H LEU 64 HN LEU 64 14.719 -2.808 -0.260 477 HA LEU 64 HA LEU 64 12.985 -3.611 1.912 478 1HB LEU 64 HB2 LEU 64 14.016 -1.341 1.720 479 2HB LEU 64 HB1 LEU 64 13.003 -1.048 0.319 480 HG LEU 64 HG LEU 64 10.992 -1.311 1.746 481 1HD1 LEU 64 HD11 LEU 64 11.250 -2.392 3.676 482 2HD1 LEU 64 HD12 LEU 64 11.944 -0.897 4.303 483 3HD1 LEU 64 HD13 LEU 64 12.998 -2.158 3.664 484 1HD2 LEU 64 HD21 LEU 64 11.937 0.773 3.298 485 2HD2 LEU 64 HD22 LEU 64 11.204 0.905 1.699 486 3HD2 LEU 64 HD23 LEU 64 12.958 0.817 1.860 487 H MET 65 HN MET 65 12.628 -2.755 -1.509 488 HA MET 65 HA MET 65 9.772 -3.277 -1.444 489 1HB MET 65 HB2 MET 65 10.790 -1.403 -2.770 490 2HB MET 65 HB1 MET 65 11.515 -2.609 -3.819 491 1HG MET 65 HG2 MET 65 8.554 -2.349 -3.368 492 2HG MET 65 HG1 MET 65 9.422 -1.564 -4.684 493 1HE MET 65 HE1 MET 65 10.556 -3.139 -6.848 494 2HE MET 65 HE2 MET 65 10.964 -4.798 -6.409 495 3HE MET 65 HE3 MET 65 11.545 -3.456 -5.423 496 H ASP 66 HN ASP 66 12.485 -4.459 -3.436 497 HA ASP 66 HA ASP 66 11.306 -6.523 -4.746 498 1HB ASP 66 HB2 ASP 66 13.633 -5.860 -5.093 499 2HB ASP 66 HB1 ASP 66 14.074 -6.541 -3.530 500 H ALA 67 HN ALA 67 12.087 -6.450 -1.348 501 HA ALA 67 HA ALA 67 11.640 -9.307 -1.037 502 1HB ALA 67 HB1 ALA 67 12.459 -9.104 1.115 503 2HB ALA 67 HB2 ALA 67 11.969 -7.416 1.254 504 3HB ALA 67 HB3 ALA 67 13.353 -7.853 0.252 505 H ALA 68 HN ALA 68 10.088 -6.265 -0.062 506 HA ALA 68 HA ALA 68 7.974 -7.410 1.395 507 1HB ALA 68 HB1 ALA 68 8.401 -4.758 0.087 508 2HB ALA 68 HB2 ALA 68 8.251 -5.156 1.799 509 3HB ALA 68 HB3 ALA 68 6.824 -5.166 0.763 510 H ASP 69 HN ASP 69 8.458 -6.964 -2.019 511 HA ASP 69 HA ASP 69 5.827 -8.175 -2.507 512 1HB ASP 69 HB2 ASP 69 5.565 -5.946 -3.243 513 2HB ASP 69 HB1 ASP 69 7.161 -5.920 -3.994 514 H ILE 70 HN ILE 70 6.494 -10.215 -2.792 515 HA ILE 70 HA ILE 70 8.750 -10.868 -4.474 516 HB ILE 70 HB ILE 70 6.753 -12.668 -3.095 517 1HG1 ILE 70 HG12 ILE 70 9.562 -11.862 -2.305 518 2HG1 ILE 70 HG11 ILE 70 8.081 -11.302 -1.536 519 1HG2 ILE 70 HG21 ILE 70 8.990 -13.196 -4.917 520 2HG2 ILE 70 HG22 ILE 70 7.605 -14.205 -4.498 521 3HG2 ILE 70 HG23 ILE 70 9.010 -14.149 -3.433 522 1HD1 ILE 70 HD11 ILE 70 8.604 -14.225 -1.671 523 2HD1 ILE 70 HD12 ILE 70 7.730 -13.286 -0.461 524 3HD1 ILE 70 HD13 ILE 70 9.493 -13.244 -0.505 525 H ASP 71 HN ASP 71 5.498 -10.174 -4.937 526 HA ASP 71 HA ASP 71 4.709 -12.002 -6.899 527 1HB ASP 71 HB2 ASP 71 3.204 -10.368 -5.777 528 2HB ASP 71 HB1 ASP 71 3.942 -9.081 -6.726 529 H LYS 72 HN LYS 72 7.226 -9.803 -7.006 530 HA LYS 72 HA LYS 72 8.684 -9.180 -8.644 531 1HB LYS 72 HB2 LYS 72 7.088 -10.998 -10.454 532 2HB LYS 72 HB1 LYS 72 8.722 -10.409 -10.729 533 1HG LYS 72 HG2 LYS 72 9.622 -11.777 -9.069 534 2HG LYS 72 HG1 LYS 72 8.044 -12.072 -8.333 535 1HD LYS 72 HD2 LYS 72 7.367 -13.280 -10.377 536 2HD LYS 72 HD1 LYS 72 9.000 -13.068 -11.014 537 1HE LYS 72 HE2 LYS 72 8.726 -15.280 -10.018 538 2HE LYS 72 HE1 LYS 72 9.907 -14.322 -9.126 539 1HZ LYS 72 HZ1 LYS 72 8.326 -13.904 -7.422 540 2HZ LYS 72 HZ2 LYS 72 8.303 -15.569 -7.717 541 3HZ LYS 72 HZ3 LYS 72 7.064 -14.587 -8.319 542 H SER 73 HN SER 73 5.524 -8.441 -8.566 543 HA SER 73 HA SER 73 5.269 -7.072 -11.094 544 1HB SER 73 HB2 SER 73 3.133 -6.242 -10.176 545 2HB SER 73 HB1 SER 73 3.284 -7.991 -10.005 546 HG SER 73 HG SER 73 4.098 -7.473 -7.817 547 H GLY 74 HN GLY 74 6.874 -6.383 -8.250 548 1HA GLY 74 HA2 GLY 74 8.081 -4.485 -7.692 549 2HA GLY 74 HA1 GLY 74 7.373 -3.670 -9.080 550 H THR 75 HN THR 75 4.760 -4.850 -7.701 551 HA THR 75 HA THR 75 4.398 -2.537 -5.910 552 HB THR 75 HB THR 75 2.321 -3.957 -7.593 553 HG1 THR 75 HG1 THR 75 2.308 -1.837 -8.640 554 1HG2 THR 75 HG21 THR 75 0.965 -3.102 -6.007 555 2HG2 THR 75 HG22 THR 75 1.158 -1.649 -6.987 556 3HG2 THR 75 HG23 THR 75 2.121 -1.861 -5.525 557 H ILE 76 HN ILE 76 3.919 -2.985 -3.845 558 HA ILE 76 HA ILE 76 3.346 -5.765 -3.157 559 HB ILE 76 HB ILE 76 5.188 -4.968 -1.931 560 1HG1 ILE 76 HG12 ILE 76 3.181 -6.105 -0.658 561 2HG1 ILE 76 HG11 ILE 76 4.561 -5.478 0.239 562 1HG2 ILE 76 HG21 ILE 76 5.361 -2.726 -1.975 563 2HG2 ILE 76 HG22 ILE 76 4.634 -2.859 -0.374 564 3HG2 ILE 76 HG23 ILE 76 3.627 -2.475 -1.770 565 1HD1 ILE 76 HD11 ILE 76 2.417 -4.933 1.290 566 2HD1 ILE 76 HD12 ILE 76 1.944 -4.039 -0.155 567 3HD1 ILE 76 HD13 ILE 76 3.309 -3.488 0.816 568 H ASP 77 HN ASP 77 1.561 -6.445 -2.229 569 HA ASP 77 HA ASP 77 -0.586 -4.486 -1.754 570 1HB ASP 77 HB2 ASP 77 -1.005 -6.130 -3.571 571 2HB ASP 77 HB1 ASP 77 -0.813 -7.437 -2.409 572 H TYR 78 HN TYR 78 -2.082 -5.015 0.013 573 HA TYR 78 HA TYR 78 -0.924 -5.248 2.466 574 1HB TYR 78 HB2 TYR 78 -3.688 -6.307 1.853 575 2HB TYR 78 HB1 TYR 78 -3.097 -5.731 3.402 576 HD1 TYR 78 HD1 TYR 78 -4.005 -4.652 -0.028 577 HD2 TYR 78 HD2 TYR 78 -3.215 -3.452 3.977 578 HE1 TYR 78 HE1 TYR 78 -4.856 -2.406 -0.540 579 HE2 TYR 78 HE2 TYR 78 -4.068 -1.202 3.475 580 HH TYR 78 HH TYR 78 -4.907 0.147 1.932 581 H GLY 79 HN GLY 79 -2.455 -7.912 0.677 582 1HA GLY 79 HA2 GLY 79 -1.824 -9.886 2.627 583 2HA GLY 79 HA1 GLY 79 -2.419 -10.185 1.006 584 H GLU 80 HN GLU 80 0.089 -8.471 0.184 585 HA GLU 80 HA GLU 80 1.743 -10.797 -0.248 586 1HB GLU 80 HB2 GLU 80 2.185 -7.910 -1.031 587 2HB GLU 80 HB1 GLU 80 3.134 -9.280 -1.593 588 1HG GLU 80 HG2 GLU 80 1.164 -10.213 -2.679 589 2HG GLU 80 HG1 GLU 80 0.198 -8.856 -2.103 590 H PHE 81 HN PHE 81 2.195 -7.618 1.255 591 HA PHE 81 HA PHE 81 4.752 -8.051 2.282 592 1HB PHE 81 HB2 PHE 81 3.804 -5.835 2.149 593 2HB PHE 81 HB1 PHE 81 2.517 -6.273 3.267 594 HD1 PHE 81 HD1 PHE 81 6.236 -6.610 3.288 595 HD2 PHE 81 HD2 PHE 81 2.738 -5.233 5.275 596 HE1 PHE 81 HE1 PHE 81 7.618 -5.848 5.179 597 HE2 PHE 81 HE2 PHE 81 4.110 -4.465 7.171 598 HZ PHE 81 HZ PHE 81 6.554 -4.773 7.123 599 H ILE 82 HN ILE 82 1.614 -9.019 3.526 600 HA ILE 82 HA ILE 82 2.750 -9.750 6.096 601 HB ILE 82 HB ILE 82 0.549 -8.767 6.143 602 1HG1 ILE 82 HG12 ILE 82 0.410 -11.717 6.806 603 2HG1 ILE 82 HG11 ILE 82 1.112 -10.475 7.837 604 1HG2 ILE 82 HG21 ILE 82 -0.457 -11.132 4.575 605 2HG2 ILE 82 HG22 ILE 82 -0.135 -9.546 3.876 606 3HG2 ILE 82 HG23 ILE 82 -1.379 -9.728 5.112 607 1HD1 ILE 82 HD11 ILE 82 -1.674 -11.231 7.436 608 2HD1 ILE 82 HD12 ILE 82 -1.391 -9.491 7.386 609 3HD1 ILE 82 HD13 ILE 82 -0.897 -10.425 8.798 610 H ALA 83 HN ALA 83 0.919 -11.539 3.575 611 HA ALA 83 HA ALA 83 1.836 -14.045 4.703 612 1HB ALA 83 HB1 ALA 83 -0.449 -13.916 3.948 613 2HB ALA 83 HB2 ALA 83 0.433 -15.076 2.954 614 3HB ALA 83 HB3 ALA 83 0.077 -13.466 2.325 615 H ALA 84 HN ALA 84 1.833 -12.829 1.343 616 HA ALA 84 HA ALA 84 4.601 -13.144 0.932 617 1HB ALA 84 HB1 ALA 84 4.288 -15.153 -0.703 618 2HB ALA 84 HB2 ALA 84 2.893 -15.514 0.315 619 3HB ALA 84 HB3 ALA 84 4.507 -15.445 1.023 620 H THR 85 HN THR 85 1.875 -14.127 -1.134 621 HA THR 85 HA THR 85 2.220 -11.690 -2.719 622 HB THR 85 HB THR 85 2.248 -14.491 -3.859 623 HG1 THR 85 HG1 THR 85 4.335 -14.069 -4.363 624 1HG2 THR 85 HG21 THR 85 1.057 -13.008 -5.363 625 2HG2 THR 85 HG22 THR 85 2.633 -13.444 -6.024 626 3HG2 THR 85 HG23 THR 85 2.389 -11.855 -5.300 627 H VAL 86 HN VAL 86 0.438 -14.635 -3.519 628 HA VAL 86 HA VAL 86 -2.082 -13.218 -2.973 629 HB VAL 86 HB VAL 86 -3.058 -14.124 -5.030 630 1HG1 VAL 86 HG11 VAL 86 -2.288 -11.921 -5.263 631 2HG1 VAL 86 HG12 VAL 86 -1.632 -12.773 -6.662 632 3HG1 VAL 86 HG13 VAL 86 -0.597 -12.422 -5.278 633 1HG2 VAL 86 HG21 VAL 86 -0.295 -14.955 -5.875 634 2HG2 VAL 86 HG22 VAL 86 -1.836 -15.315 -6.653 635 3HG2 VAL 86 HG23 VAL 86 -1.425 -16.076 -5.117 636 H HIS 87 HN HIS 87 -3.957 -14.943 -3.420 637 HA HIS 87 HA HIS 87 -3.714 -16.869 -1.373 638 1HB HIS 87 HB2 HIS 87 -5.935 -17.665 -2.167 639 2HB HIS 87 HB1 HIS 87 -5.874 -15.928 -1.900 640 HD1 HIS 87 HD1 HIS 87 -8.107 -16.502 -3.574 641 HD2 HIS 87 HD2 HIS 87 -4.300 -16.342 -5.234 642 HE1 HIS 87 HE1 HIS 87 -8.459 -16.100 -6.031 643 HE2 HIS 87 HE2 HIS 87 -6.145 -16.050 -7.022 Start of MODEL 14 1 1H HIS 1 HT1 HIS 1 -33.864 4.098 2.085 2 2H HIS 1 HT2 HIS 1 -34.503 3.683 0.575 3 3H HIS 1 HT3 HIS 1 -35.161 4.976 1.445 4 HA HIS 1 HA HIS 1 -33.725 5.677 -0.415 5 1HB HIS 1 HB2 HIS 1 -32.465 7.321 0.964 6 2HB HIS 1 HB1 HIS 1 -34.148 7.163 1.454 7 HD1 HIS 1 HD1 HIS 1 -30.902 5.438 2.481 8 HD2 HIS 1 HD2 HIS 1 -34.309 7.144 4.139 9 HE1 HIS 1 HE1 HIS 1 -30.626 5.206 4.970 10 HE2 HIS 1 HE2 HIS 1 -32.667 6.309 5.955 11 H SER 2 HN SER 2 -32.822 2.952 0.175 12 HA SER 2 HA SER 2 -29.970 3.124 0.596 13 1HB SER 2 HB2 SER 2 -29.999 0.683 0.235 14 2HB SER 2 HB1 SER 2 -31.208 1.174 1.422 15 HG SER 2 HG SER 2 -31.779 0.780 -1.326 16 H SER 3 HN SER 3 -31.639 4.181 -1.856 17 HA SER 3 HA SER 3 -30.440 2.831 -4.086 18 1HB SER 3 HB2 SER 3 -31.486 4.624 -5.433 19 2HB SER 3 HB1 SER 3 -32.634 3.884 -4.318 20 HG SER 3 HG SER 3 -31.498 6.436 -4.281 21 H GLY 4 HN GLY 4 -28.521 3.201 -4.985 22 1HA GLY 4 HA2 GLY 4 -26.856 4.698 -5.853 23 2HA GLY 4 HA1 GLY 4 -27.228 5.807 -4.542 24 H HIS 5 HN HIS 5 -27.261 3.122 -2.887 25 HA HIS 5 HA HIS 5 -24.360 3.162 -2.385 26 1HB HIS 5 HB2 HIS 5 -26.623 2.506 -0.488 27 2HB HIS 5 HB1 HIS 5 -24.911 2.455 -0.082 28 HD1 HIS 5 HD1 HIS 5 -27.241 5.079 -1.582 29 HD2 HIS 5 HD2 HIS 5 -24.197 4.701 1.221 30 HE1 HIS 5 HE1 HIS 5 -26.934 7.377 -0.609 31 HE2 HIS 5 HE2 HIS 5 -25.021 7.144 1.013 32 H ILE 6 HN ILE 6 -27.196 1.096 -2.722 33 HA ILE 6 HA ILE 6 -25.452 -1.271 -2.714 34 HB ILE 6 HB ILE 6 -28.470 -1.204 -2.571 35 1HG1 ILE 6 HG12 ILE 6 -26.449 -1.553 -0.341 36 2HG1 ILE 6 HG11 ILE 6 -27.432 -0.117 -0.607 37 1HG2 ILE 6 HG21 ILE 6 -28.440 -3.474 -2.341 38 2HG2 ILE 6 HG22 ILE 6 -26.830 -3.492 -1.621 39 3HG2 ILE 6 HG23 ILE 6 -27.015 -3.276 -3.361 40 1HD1 ILE 6 HD11 ILE 6 -29.418 -1.267 -0.046 41 2HD1 ILE 6 HD12 ILE 6 -28.226 -1.678 1.187 42 3HD1 ILE 6 HD13 ILE 6 -28.607 -2.832 -0.092 43 H ASP 7 HN ASP 7 -24.823 -0.308 -4.910 44 HA ASP 7 HA ASP 7 -26.321 -1.749 -6.948 45 1HB ASP 7 HB2 ASP 7 -25.706 1.205 -7.187 46 2HB ASP 7 HB1 ASP 7 -26.358 0.194 -8.473 47 H ASP 8 HN ASP 8 -24.894 -0.470 -9.124 48 HA ASP 8 HA ASP 8 -22.406 -1.925 -8.889 49 1HB ASP 8 HB2 ASP 8 -23.534 -0.323 -11.197 50 2HB ASP 8 HB1 ASP 8 -22.113 -1.359 -11.272 51 H ASP 9 HN ASP 9 -22.230 -0.024 -7.062 52 HA ASP 9 HA ASP 9 -20.728 2.204 -8.235 53 1HB ASP 9 HB2 ASP 9 -20.938 3.190 -5.924 54 2HB ASP 9 HB1 ASP 9 -22.461 2.956 -6.778 55 H ASP 10 HN ASP 10 -18.895 2.977 -6.635 56 HA ASP 10 HA ASP 10 -17.141 0.662 -6.322 57 1HB ASP 10 HB2 ASP 10 -16.487 3.608 -6.420 58 2HB ASP 10 HB1 ASP 10 -15.305 2.306 -6.313 59 H LYS 11 HN LYS 11 -18.914 2.791 -4.313 60 HA LYS 11 HA LYS 11 -17.059 2.725 -2.115 61 1HB LYS 11 HB2 LYS 11 -18.749 3.892 -0.857 62 2HB LYS 11 HB1 LYS 11 -18.636 4.586 -2.465 63 1HG LYS 11 HG2 LYS 11 -20.681 2.496 -1.959 64 2HG LYS 11 HG1 LYS 11 -20.957 4.137 -1.370 65 1HD LYS 11 HD2 LYS 11 -20.280 3.423 -4.221 66 2HD LYS 11 HD1 LYS 11 -21.913 3.722 -3.621 67 1HE LYS 11 HE2 LYS 11 -19.628 5.692 -3.571 68 2HE LYS 11 HE1 LYS 11 -20.965 5.699 -4.721 69 1HZ LYS 11 HZ1 LYS 11 -21.488 7.262 -3.054 70 2HZ LYS 11 HZ2 LYS 11 -21.086 6.198 -1.803 71 3HZ LYS 11 HZ3 LYS 11 -22.464 5.916 -2.742 72 H HIS 12 HN HIS 12 -19.853 0.930 -3.146 73 HA HIS 12 HA HIS 12 -20.189 -0.512 -0.689 74 1HB HIS 12 HB2 HIS 12 -22.008 -0.183 -2.390 75 2HB HIS 12 HB1 HIS 12 -21.155 -1.299 -3.448 76 HD1 HIS 12 HD1 HIS 12 -23.698 -2.414 -3.085 77 HD2 HIS 12 HD2 HIS 12 -20.930 -2.765 -0.004 78 HE1 HIS 12 HE1 HIS 12 -24.520 -4.311 -1.654 79 HE2 HIS 12 HE2 HIS 12 -22.835 -4.501 0.209 80 H MET 13 HN MET 13 -18.422 -0.991 -3.670 81 HA MET 13 HA MET 13 -17.732 -3.699 -3.332 82 1HB MET 13 HB2 MET 13 -17.430 -2.547 -5.461 83 2HB MET 13 HB1 MET 13 -16.228 -1.485 -4.740 84 1HG MET 13 HG2 MET 13 -15.194 -3.231 -6.082 85 2HG MET 13 HG1 MET 13 -14.741 -3.368 -4.384 86 1HE MET 13 HE1 MET 13 -14.508 -6.121 -6.548 87 2HE MET 13 HE2 MET 13 -14.640 -7.038 -5.048 88 3HE MET 13 HE3 MET 13 -13.766 -5.506 -5.071 89 H ALA 14 HN ALA 14 -16.470 -0.768 -1.949 90 HA ALA 14 HA ALA 14 -14.199 -2.184 -0.763 91 1HB ALA 14 HB1 ALA 14 -13.163 -0.239 -1.047 92 2HB ALA 14 HB2 ALA 14 -14.264 0.497 0.117 93 3HB ALA 14 HB3 ALA 14 -14.661 0.509 -1.601 94 H GLU 15 HN GLU 15 -17.371 -1.309 -0.084 95 HA GLU 15 HA GLU 15 -17.053 -1.032 2.767 96 1HB GLU 15 HB2 GLU 15 -18.775 0.307 2.012 97 2HB GLU 15 HB1 GLU 15 -19.299 -0.864 0.811 98 1HG GLU 15 HG2 GLU 15 -20.237 -2.248 2.554 99 2HG GLU 15 HG1 GLU 15 -19.712 -1.095 3.780 100 H ARG 16 HN ARG 16 -17.680 -3.517 0.471 101 HA ARG 16 HA ARG 16 -18.813 -5.351 2.390 102 1HB ARG 16 HB2 ARG 16 -18.650 -6.990 0.491 103 2HB ARG 16 HB1 ARG 16 -19.623 -5.564 0.163 104 1HG ARG 16 HG2 ARG 16 -17.579 -4.590 -0.964 105 2HG ARG 16 HG1 ARG 16 -16.867 -6.201 -0.847 106 1HD ARG 16 HD2 ARG 16 -19.450 -5.497 -2.238 107 2HD ARG 16 HD1 ARG 16 -17.914 -5.848 -3.027 108 HE ARG 16 HE ARG 16 -19.808 -7.736 -2.098 109 1HH1 ARG 16 HH11 ARG 16 -16.379 -7.204 -2.408 110 2HH1 ARG 16 HH12 ARG 16 -15.993 -8.891 -2.458 111 1HH2 ARG 16 HH21 ARG 16 -19.307 -9.958 -2.158 112 2HH2 ARG 16 HH22 ARG 16 -17.655 -10.456 -2.311 113 H LEU 17 HN LEU 17 -15.827 -5.386 0.410 114 HA LEU 17 HA LEU 17 -14.611 -7.087 2.479 115 1HB LEU 17 HB2 LEU 17 -13.845 -6.702 -0.415 116 2HB LEU 17 HB1 LEU 17 -12.929 -7.660 0.732 117 HG LEU 17 HG LEU 17 -15.743 -8.227 -0.208 118 1HD1 LEU 17 HD11 LEU 17 -14.399 -8.886 -1.961 119 2HD1 LEU 17 HD12 LEU 17 -14.466 -10.355 -0.988 120 3HD1 LEU 17 HD13 LEU 17 -13.049 -9.309 -0.907 121 1HD2 LEU 17 HD21 LEU 17 -14.718 -10.464 1.076 122 2HD2 LEU 17 HD22 LEU 17 -15.967 -9.379 1.686 123 3HD2 LEU 17 HD23 LEU 17 -14.279 -9.117 2.126 124 H SER 18 HN SER 18 -12.588 -6.582 3.325 125 HA SER 18 HA SER 18 -11.816 -3.769 2.994 126 1HB SER 18 HB2 SER 18 -12.381 -4.418 5.281 127 2HB SER 18 HB1 SER 18 -11.189 -5.716 5.226 128 HG SER 18 HG SER 18 -10.842 -3.080 5.751 129 H GLU 19 HN GLU 19 -10.587 -4.038 1.102 130 HA GLU 19 HA GLU 19 -8.324 -5.847 1.126 131 1HB GLU 19 HB2 GLU 19 -7.881 -5.012 -1.138 132 2HB GLU 19 HB1 GLU 19 -9.547 -5.541 -0.964 133 1HG GLU 19 HG2 GLU 19 -8.778 -2.663 -0.657 134 2HG GLU 19 HG1 GLU 19 -9.087 -3.376 -2.238 135 H GLU 20 HN GLU 20 -8.954 -2.819 2.312 136 HA GLU 20 HA GLU 20 -6.839 -1.191 1.722 137 1HB GLU 20 HB2 GLU 20 -8.701 -0.517 3.145 138 2HB GLU 20 HB1 GLU 20 -8.143 -1.594 4.417 139 1HG GLU 20 HG2 GLU 20 -6.104 -0.272 4.645 140 2HG GLU 20 HG1 GLU 20 -6.661 0.807 3.367 141 H GLU 21 HN GLU 21 -6.773 -4.082 3.693 142 HA GLU 21 HA GLU 21 -3.873 -3.709 3.990 143 1HB GLU 21 HB2 GLU 21 -4.902 -3.128 6.125 144 2HB GLU 21 HB1 GLU 21 -5.753 -4.666 6.153 145 1HG GLU 21 HG2 GLU 21 -3.620 -5.847 6.283 146 2HG GLU 21 HG1 GLU 21 -2.766 -4.304 6.255 147 H ILE 22 HN ILE 22 -6.077 -6.245 5.123 148 HA ILE 22 HA ILE 22 -4.436 -8.375 4.432 149 HB ILE 22 HB ILE 22 -6.398 -9.818 4.678 150 1HG1 ILE 22 HG12 ILE 22 -7.963 -7.232 4.881 151 2HG1 ILE 22 HG11 ILE 22 -8.030 -8.355 3.527 152 1HG2 ILE 22 HG21 ILE 22 -6.724 -7.772 6.815 153 2HG2 ILE 22 HG22 ILE 22 -5.149 -8.538 6.605 154 3HG2 ILE 22 HG23 ILE 22 -6.572 -9.524 6.942 155 1HD1 ILE 22 HD11 ILE 22 -8.979 -10.061 4.949 156 2HD1 ILE 22 HD12 ILE 22 -9.940 -8.585 5.044 157 3HD1 ILE 22 HD13 ILE 22 -8.834 -9.004 6.353 158 H GLY 23 HN GLY 23 -6.191 -6.364 2.362 159 1HA GLY 23 HA2 GLY 23 -7.135 -7.980 0.344 160 2HA GLY 23 HA1 GLY 23 -6.448 -6.386 0.079 161 H GLY 24 HN GLY 24 -3.924 -6.420 0.195 162 1HA GLY 24 HA2 GLY 24 -3.091 -8.468 -1.720 163 2HA GLY 24 HA1 GLY 24 -2.237 -6.975 -1.361 164 H LEU 25 HN LEU 25 -2.986 -8.057 1.572 165 HA LEU 25 HA LEU 25 -0.494 -8.634 2.485 166 1HB LEU 25 HB2 LEU 25 -2.460 -8.288 3.906 167 2HB LEU 25 HB1 LEU 25 -3.093 -9.848 3.433 168 HG LEU 25 HG LEU 25 -2.026 -9.674 5.735 169 1HD1 LEU 25 HD11 LEU 25 -2.354 -11.778 4.155 170 2HD1 LEU 25 HD12 LEU 25 -1.555 -11.891 5.724 171 3HD1 LEU 25 HD13 LEU 25 -0.592 -11.796 4.249 172 1HD2 LEU 25 HD21 LEU 25 0.299 -9.091 4.022 173 2HD2 LEU 25 HD22 LEU 25 0.573 -10.226 5.343 174 3HD2 LEU 25 HD23 LEU 25 -0.043 -8.609 5.683 175 H LYS 26 HN LYS 26 -2.550 -10.741 0.648 176 HA LYS 26 HA LYS 26 -1.032 -13.112 1.291 177 1HB LYS 26 HB2 LYS 26 -3.417 -13.312 0.926 178 2HB LYS 26 HB1 LYS 26 -3.259 -12.628 -0.686 179 1HG LYS 26 HG2 LYS 26 -3.540 -15.025 -0.810 180 2HG LYS 26 HG1 LYS 26 -1.930 -14.571 -1.371 181 1HD LYS 26 HD2 LYS 26 -1.002 -15.186 0.812 182 2HD LYS 26 HD1 LYS 26 -2.614 -15.645 1.366 183 1HE LYS 26 HE2 LYS 26 -1.339 -17.606 0.690 184 2HE LYS 26 HE1 LYS 26 -2.724 -17.360 -0.374 185 1HZ LYS 26 HZ1 LYS 26 -0.134 -16.213 -1.139 186 2HZ LYS 26 HZ2 LYS 26 -1.395 -16.770 -2.119 187 3HZ LYS 26 HZ3 LYS 26 -0.375 -17.875 -1.344 188 H GLU 27 HN GLU 27 -1.837 -11.675 -1.888 189 HA GLU 27 HA GLU 27 0.536 -12.905 -3.009 190 1HB GLU 27 HB2 GLU 27 -1.653 -11.292 -4.307 191 2HB GLU 27 HB1 GLU 27 -0.379 -12.153 -5.163 192 1HG GLU 27 HG2 GLU 27 -1.204 -14.271 -4.272 193 2HG GLU 27 HG1 GLU 27 -2.478 -13.411 -3.409 194 H LEU 28 HN LEU 28 -0.836 -9.668 -3.501 195 HA LEU 28 HA LEU 28 1.477 -8.534 -4.535 196 1HB LEU 28 HB2 LEU 28 -0.958 -7.724 -4.593 197 2HB LEU 28 HB1 LEU 28 -0.608 -6.959 -3.057 198 HG LEU 28 HG LEU 28 -0.448 -5.415 -4.987 199 1HD1 LEU 28 HD11 LEU 28 1.343 -4.239 -4.163 200 2HD1 LEU 28 HD12 LEU 28 2.320 -5.687 -3.917 201 3HD1 LEU 28 HD13 LEU 28 0.993 -5.321 -2.815 202 1HD2 LEU 28 HD21 LEU 28 0.784 -7.499 -6.254 203 2HD2 LEU 28 HD22 LEU 28 2.138 -6.433 -5.878 204 3HD2 LEU 28 HD23 LEU 28 0.771 -5.826 -6.813 205 H PHE 29 HN PHE 29 0.109 -7.637 -1.375 206 HA PHE 29 HA PHE 29 2.145 -6.146 -0.404 207 1HB PHE 29 HB2 PHE 29 -0.102 -6.677 0.661 208 2HB PHE 29 HB1 PHE 29 0.673 -8.100 1.349 209 HD1 PHE 29 HD1 PHE 29 1.161 -7.834 3.561 210 HD2 PHE 29 HD2 PHE 29 1.631 -4.518 0.940 211 HE1 PHE 29 HE1 PHE 29 1.971 -6.471 5.437 212 HE2 PHE 29 HE2 PHE 29 2.444 -3.149 2.808 213 HZ PHE 29 HZ PHE 29 2.617 -4.123 5.066 214 H LYS 30 HN LYS 30 1.940 -9.692 -0.136 215 HA LYS 30 HA LYS 30 4.314 -9.965 1.379 216 1HB LYS 30 HB2 LYS 30 3.869 -12.196 1.344 217 2HB LYS 30 HB1 LYS 30 2.308 -11.631 0.781 218 1HG LYS 30 HG2 LYS 30 2.742 -13.321 -0.698 219 2HG LYS 30 HG1 LYS 30 3.347 -11.921 -1.584 220 1HD LYS 30 HD2 LYS 30 5.619 -12.431 -0.889 221 2HD LYS 30 HD1 LYS 30 5.040 -13.783 0.086 222 1HE LYS 30 HE2 LYS 30 5.958 -14.554 -2.041 223 2HE LYS 30 HE1 LYS 30 4.233 -14.899 -1.928 224 1HZ LYS 30 HZ1 LYS 30 5.510 -13.579 -3.964 225 2HZ LYS 30 HZ2 LYS 30 4.712 -12.356 -3.112 226 3HZ LYS 30 HZ3 LYS 30 3.839 -13.672 -3.717 227 H MET 31 HN MET 31 3.645 -10.146 -2.080 228 HA MET 31 HA MET 31 6.224 -10.900 -2.919 229 1HB MET 31 HB2 MET 31 3.812 -10.502 -4.150 230 2HB MET 31 HB1 MET 31 4.739 -9.134 -4.743 231 1HG MET 31 HG2 MET 31 5.484 -12.039 -4.998 232 2HG MET 31 HG1 MET 31 4.867 -10.999 -6.277 233 1HE MET 31 HE1 MET 31 7.412 -11.819 -3.798 234 2HE MET 31 HE2 MET 31 8.718 -10.651 -4.001 235 3HE MET 31 HE3 MET 31 8.711 -12.138 -4.949 236 H ILE 32 HN ILE 32 5.062 -7.969 -1.647 237 HA ILE 32 HA ILE 32 7.154 -6.356 -2.890 238 HB ILE 32 HB ILE 32 4.982 -5.570 -0.941 239 1HG1 ILE 32 HG12 ILE 32 4.114 -6.178 -3.150 240 2HG1 ILE 32 HG11 ILE 32 3.969 -4.445 -2.881 241 1HG2 ILE 32 HG21 ILE 32 7.321 -4.133 -2.004 242 2HG2 ILE 32 HG22 ILE 32 6.401 -3.871 -0.522 243 3HG2 ILE 32 HG23 ILE 32 5.794 -3.252 -2.058 244 1HD1 ILE 32 HD11 ILE 32 4.720 -4.566 -5.055 245 2HD1 ILE 32 HD12 ILE 32 5.794 -5.925 -4.719 246 3HD1 ILE 32 HD13 ILE 32 6.215 -4.308 -4.154 247 H ASP 33 HN ASP 33 6.098 -7.422 0.310 248 HA ASP 33 HA ASP 33 8.208 -6.227 1.758 249 1HB ASP 33 HB2 ASP 33 6.041 -7.047 2.729 250 2HB ASP 33 HB1 ASP 33 6.624 -8.693 2.510 251 H THR 34 HN THR 34 10.303 -6.729 1.638 252 HA THR 34 HA THR 34 11.271 -9.065 0.362 253 HB THR 34 HB THR 34 12.732 -7.171 2.222 254 HG1 THR 34 HG1 THR 34 11.857 -6.104 0.421 255 1HG2 THR 34 HG21 THR 34 14.421 -8.126 0.194 256 2HG2 THR 34 HG22 THR 34 13.630 -9.534 0.904 257 3HG2 THR 34 HG23 THR 34 14.530 -8.417 1.931 258 H ASP 35 HN ASP 35 9.940 -8.534 3.359 259 HA ASP 35 HA ASP 35 11.248 -10.882 4.532 260 1HB ASP 35 HB2 ASP 35 9.882 -8.550 5.861 261 2HB ASP 35 HB1 ASP 35 10.402 -9.996 6.717 262 H ASN 36 HN ASN 36 8.400 -9.822 3.104 263 HA ASN 36 HA ASN 36 6.225 -10.523 3.165 264 1HB ASN 36 HB2 ASN 36 5.970 -12.947 2.811 265 2HB ASN 36 HB1 ASN 36 7.272 -12.280 1.836 266 1HD2 ASN 36 HD21 ASN 36 6.380 -14.683 3.972 267 2HD2 ASN 36 HD22 ASN 36 7.950 -15.299 4.348 268 H SER 37 HN SER 37 7.437 -9.933 5.767 269 HA SER 37 HA SER 37 6.213 -11.832 7.598 270 1HB SER 37 HB2 SER 37 7.118 -10.332 9.357 271 2HB SER 37 HB1 SER 37 8.367 -10.833 8.217 272 HG SER 37 HG SER 37 8.040 -8.454 8.868 273 H GLY 38 HN GLY 38 5.462 -9.056 5.868 274 1HA GLY 38 HA2 GLY 38 3.125 -8.423 5.698 275 2HA GLY 38 HA1 GLY 38 2.963 -8.733 7.421 276 H THR 39 HN THR 39 5.847 -7.175 6.596 277 HA THR 39 HA THR 39 4.758 -4.490 6.836 278 HB THR 39 HB THR 39 6.358 -3.949 8.687 279 HG1 THR 39 HG1 THR 39 7.150 -5.731 9.887 280 1HG2 THR 39 HG21 THR 39 3.850 -4.913 8.938 281 2HG2 THR 39 HG22 THR 39 4.841 -4.337 10.279 282 3HG2 THR 39 HG23 THR 39 4.755 -6.063 9.924 283 H ILE 40 HN ILE 40 5.888 -3.076 5.628 284 HA ILE 40 HA ILE 40 8.447 -4.027 4.527 285 HB ILE 40 HB ILE 40 6.404 -2.104 3.406 286 1HG1 ILE 40 HG12 ILE 40 6.502 -3.682 1.471 287 2HG1 ILE 40 HG11 ILE 40 7.555 -4.719 2.424 288 1HG2 ILE 40 HG21 ILE 40 9.282 -2.309 2.845 289 2HG2 ILE 40 HG22 ILE 40 8.162 -0.973 2.579 290 3HG2 ILE 40 HG23 ILE 40 8.233 -2.306 1.427 291 1HD1 ILE 40 HD11 ILE 40 4.955 -3.954 3.615 292 2HD1 ILE 40 HD12 ILE 40 5.853 -5.469 3.720 293 3HD1 ILE 40 HD13 ILE 40 4.934 -5.088 2.263 294 H THR 41 HN THR 41 10.225 -2.646 4.430 295 HA THR 41 HA THR 41 9.993 -0.079 5.837 296 HB THR 41 HB THR 41 12.306 -1.971 6.243 297 HG1 THR 41 HG1 THR 41 11.235 -2.073 8.428 298 1HG2 THR 41 HG21 THR 41 11.563 0.671 7.363 299 2HG2 THR 41 HG22 THR 41 13.143 0.037 6.905 300 3HG2 THR 41 HG23 THR 41 12.381 -0.494 8.404 301 H PHE 42 HN PHE 42 11.775 1.365 5.350 302 HA PHE 42 HA PHE 42 12.194 2.056 2.837 303 1HB PHE 42 HB2 PHE 42 12.995 3.332 4.769 304 2HB PHE 42 HB1 PHE 42 14.300 2.175 5.001 305 HD1 PHE 42 HD1 PHE 42 12.942 3.958 2.024 306 HD2 PHE 42 HD2 PHE 42 16.313 3.117 4.475 307 HE1 PHE 42 HE1 PHE 42 14.360 5.267 0.513 308 HE2 PHE 42 HE2 PHE 42 17.741 4.427 2.968 309 HZ PHE 42 HZ PHE 42 16.768 5.510 0.979 310 H ASP 43 HN ASP 43 14.645 0.089 4.539 311 HA ASP 43 HA ASP 43 16.292 -0.429 2.386 312 1HB ASP 43 HB2 ASP 43 16.813 -0.987 4.748 313 2HB ASP 43 HB1 ASP 43 15.677 -2.329 4.660 314 H GLU 44 HN GLU 44 13.375 -2.132 3.387 315 HA GLU 44 HA GLU 44 13.623 -4.074 1.240 316 1HB GLU 44 HB2 GLU 44 11.396 -3.658 3.241 317 2HB GLU 44 HB1 GLU 44 11.582 -5.041 2.171 318 1HG GLU 44 HG2 GLU 44 13.606 -5.697 3.309 319 2HG GLU 44 HG1 GLU 44 13.525 -4.262 4.332 320 H LEU 45 HN LEU 45 12.296 -0.992 1.686 321 HA LEU 45 HA LEU 45 10.034 -1.204 0.002 322 1HB LEU 45 HB2 LEU 45 10.266 0.576 1.667 323 2HB LEU 45 HB1 LEU 45 11.607 1.250 0.758 324 HG LEU 45 HG LEU 45 10.045 1.601 -1.165 325 1HD1 LEU 45 HD11 LEU 45 8.212 0.276 0.708 326 2HD1 LEU 45 HD12 LEU 45 8.177 0.362 -1.053 327 3HD1 LEU 45 HD13 LEU 45 7.567 1.709 -0.092 328 1HD2 LEU 45 HD21 LEU 45 10.171 3.635 -0.281 329 2HD2 LEU 45 HD22 LEU 45 10.113 3.010 1.367 330 3HD2 LEU 45 HD23 LEU 45 8.616 3.290 0.477 331 H LYS 46 HN LYS 46 13.171 0.399 -0.519 332 HA LYS 46 HA LYS 46 12.835 0.999 -3.202 333 1HB LYS 46 HB2 LYS 46 15.287 1.188 -3.301 334 2HB LYS 46 HB1 LYS 46 14.621 1.975 -1.877 335 1HG LYS 46 HG2 LYS 46 15.279 0.089 -0.497 336 2HG LYS 46 HG1 LYS 46 15.891 -0.756 -1.920 337 1HD LYS 46 HD2 LYS 46 16.918 1.887 -0.883 338 2HD LYS 46 HD1 LYS 46 17.688 0.321 -0.619 339 1HE LYS 46 HE2 LYS 46 17.961 0.057 -3.043 340 2HE LYS 46 HE1 LYS 46 17.204 1.629 -3.295 341 1HZ LYS 46 HZ1 LYS 46 19.704 1.200 -1.752 342 2HZ LYS 46 HZ2 LYS 46 19.009 2.688 -2.155 343 3HZ LYS 46 HZ3 LYS 46 19.650 1.699 -3.368 344 H ASP 47 HN ASP 47 13.689 -2.012 -1.684 345 HA ASP 47 HA ASP 47 14.947 -3.378 -3.721 346 1HB ASP 47 HB2 ASP 47 14.653 -4.299 -1.469 347 2HB ASP 47 HB1 ASP 47 12.924 -4.470 -1.755 348 H GLY 48 HN GLY 48 11.761 -2.175 -3.664 349 1HA GLY 48 HA2 GLY 48 10.537 -4.067 -5.418 350 2HA GLY 48 HA1 GLY 48 9.956 -2.439 -5.079 351 H LEU 49 HN LEU 49 11.861 -0.817 -5.921 352 HA LEU 49 HA LEU 49 11.845 -1.215 -8.806 353 1HB LEU 49 HB2 LEU 49 12.697 1.173 -7.159 354 2HB LEU 49 HB1 LEU 49 12.572 1.132 -8.908 355 HG LEU 49 HG LEU 49 10.266 0.825 -6.982 356 1HD1 LEU 49 HD11 LEU 49 11.155 3.123 -8.712 357 2HD1 LEU 49 HD12 LEU 49 11.056 3.083 -6.952 358 3HD1 LEU 49 HD13 LEU 49 9.583 3.025 -7.920 359 1HD2 LEU 49 HD21 LEU 49 9.680 1.439 -9.766 360 2HD2 LEU 49 HD22 LEU 49 8.960 0.238 -8.694 361 3HD2 LEU 49 HD23 LEU 49 10.454 -0.132 -9.555 362 H LYS 50 HN LYS 50 13.862 -1.710 -6.173 363 HA LYS 50 HA LYS 50 16.361 -1.242 -7.531 364 1HB LYS 50 HB2 LYS 50 16.164 -0.894 -5.100 365 2HB LYS 50 HB1 LYS 50 15.809 -2.602 -4.890 366 1HG LYS 50 HG2 LYS 50 18.115 -2.132 -4.326 367 2HG LYS 50 HG1 LYS 50 18.028 -3.168 -5.752 368 1HD LYS 50 HD2 LYS 50 18.410 -1.237 -7.192 369 2HD LYS 50 HD1 LYS 50 18.455 -0.180 -5.780 370 1HE LYS 50 HE2 LYS 50 20.371 -2.431 -6.379 371 2HE LYS 50 HE1 LYS 50 20.707 -0.710 -6.559 372 1HZ LYS 50 HZ1 LYS 50 20.206 -2.194 -4.042 373 2HZ LYS 50 HZ2 LYS 50 20.240 -0.506 -4.129 374 3HZ LYS 50 HZ3 LYS 50 21.626 -1.398 -4.507 375 H ARG 51 HN ARG 51 14.148 -3.842 -7.037 376 HA ARG 51 HA ARG 51 15.969 -5.975 -7.611 377 1HB ARG 51 HB2 ARG 51 13.947 -6.448 -6.366 378 2HB ARG 51 HB1 ARG 51 12.948 -5.825 -7.671 379 1HG ARG 51 HG2 ARG 51 13.718 -7.659 -9.113 380 2HG ARG 51 HG1 ARG 51 14.668 -8.295 -7.769 381 1HD ARG 51 HD2 ARG 51 12.659 -8.650 -6.471 382 2HD ARG 51 HD1 ARG 51 11.678 -7.904 -7.731 383 HE ARG 51 HE ARG 51 11.606 -9.939 -8.734 384 1HH1 ARG 51 HH11 ARG 51 14.541 -9.782 -6.855 385 2HH1 ARG 51 HH12 ARG 51 15.039 -11.389 -7.267 386 1HH2 ARG 51 HH21 ARG 51 12.256 -12.054 -9.274 387 2HH2 ARG 51 HH22 ARG 51 13.742 -12.679 -8.640 388 H VAL 52 HN VAL 52 14.154 -3.709 -9.439 389 HA VAL 52 HA VAL 52 14.521 -5.222 -11.916 390 HB VAL 52 HB VAL 52 12.290 -4.287 -11.492 391 1HG1 VAL 52 HG11 VAL 52 12.204 -2.325 -10.435 392 2HG1 VAL 52 HG12 VAL 52 12.458 -1.603 -12.024 393 3HG1 VAL 52 HG13 VAL 52 13.830 -1.875 -10.950 394 1HG2 VAL 52 HG21 VAL 52 13.871 -3.931 -13.830 395 2HG2 VAL 52 HG22 VAL 52 12.729 -2.594 -13.697 396 3HG2 VAL 52 HG23 VAL 52 12.144 -4.257 -13.696 397 H GLY 53 HN GLY 53 15.627 -2.381 -10.222 398 1HA GLY 53 HA2 GLY 53 17.264 -0.843 -10.688 399 2HA GLY 53 HA1 GLY 53 18.017 -2.146 -11.592 400 H SER 54 HN SER 54 15.040 -0.254 -12.159 401 HA SER 54 HA SER 54 15.980 0.204 -14.895 402 1HB SER 54 HB2 SER 54 13.243 0.577 -13.659 403 2HB SER 54 HB1 SER 54 13.635 0.904 -15.347 404 HG SER 54 HG SER 54 14.294 -1.603 -14.315 405 H GLU 55 HN GLU 55 13.631 2.403 -13.722 406 HA GLU 55 HA GLU 55 15.682 4.506 -13.518 407 1HB GLU 55 HB2 GLU 55 12.905 4.707 -14.698 408 2HB GLU 55 HB1 GLU 55 13.997 6.065 -14.464 409 1HG GLU 55 HG2 GLU 55 14.512 3.683 -16.229 410 2HG GLU 55 HG1 GLU 55 13.996 5.279 -16.772 411 H LEU 56 HN LEU 56 15.605 3.915 -11.213 412 HA LEU 56 HA LEU 56 13.254 5.030 -9.846 413 1HB LEU 56 HB2 LEU 56 14.110 3.858 -7.823 414 2HB LEU 56 HB1 LEU 56 13.585 2.793 -9.119 415 HG LEU 56 HG LEU 56 16.484 3.496 -8.661 416 1HD1 LEU 56 HD11 LEU 56 14.770 1.862 -7.048 417 2HD1 LEU 56 HD12 LEU 56 16.484 2.223 -6.843 418 3HD1 LEU 56 HD13 LEU 56 15.983 0.858 -7.842 419 1HD2 LEU 56 HD21 LEU 56 16.965 2.046 -10.309 420 2HD2 LEU 56 HD22 LEU 56 15.297 2.330 -10.809 421 3HD2 LEU 56 HD23 LEU 56 15.695 0.921 -9.826 422 H MET 57 HN MET 57 13.727 6.068 -7.742 423 HA MET 57 HA MET 57 16.233 7.602 -7.832 424 1HB MET 57 HB2 MET 57 13.527 8.676 -7.014 425 2HB MET 57 HB1 MET 57 15.034 9.579 -7.078 426 1HG MET 57 HG2 MET 57 13.555 8.397 -9.411 427 2HG MET 57 HG1 MET 57 13.648 10.104 -8.981 428 1HE MET 57 HE1 MET 57 15.960 11.534 -9.111 429 2HE MET 57 HE2 MET 57 17.504 10.786 -9.519 430 3HE MET 57 HE3 MET 57 16.663 10.321 -8.040 431 H GLU 58 HN GLU 58 17.391 6.929 -6.133 432 HA GLU 58 HA GLU 58 16.420 5.623 -3.872 433 1HB GLU 58 HB2 GLU 58 18.586 6.157 -2.836 434 2HB GLU 58 HB1 GLU 58 18.785 5.600 -4.491 435 1HG GLU 58 HG2 GLU 58 19.072 7.901 -5.240 436 2HG GLU 58 HG1 GLU 58 18.850 8.471 -3.586 437 H SER 59 HN SER 59 16.198 8.822 -4.815 438 HA SER 59 HA SER 59 15.893 9.943 -2.149 439 1HB SER 59 HB2 SER 59 15.496 12.073 -3.348 440 2HB SER 59 HB1 SER 59 17.001 11.302 -3.849 441 HG SER 59 HG SER 59 16.225 11.076 -5.792 442 H GLU 60 HN GLU 60 13.895 9.117 -4.944 443 HA GLU 60 HA GLU 60 11.482 10.213 -3.969 444 1HB GLU 60 HB2 GLU 60 11.856 9.619 -6.341 445 2HB GLU 60 HB1 GLU 60 11.886 7.918 -5.899 446 1HG GLU 60 HG2 GLU 60 9.743 8.443 -6.814 447 2HG GLU 60 HG1 GLU 60 9.561 8.129 -5.089 448 H ILE 61 HN ILE 61 13.121 7.165 -3.512 449 HA ILE 61 HA ILE 61 11.062 5.607 -2.478 450 HB ILE 61 HB ILE 61 13.936 5.581 -1.544 451 1HG1 ILE 61 HG12 ILE 61 13.824 5.414 -3.983 452 2HG1 ILE 61 HG11 ILE 61 14.286 3.866 -3.283 453 1HG2 ILE 61 HG21 ILE 61 11.659 3.650 -1.313 454 2HG2 ILE 61 HG22 ILE 61 12.763 4.227 -0.064 455 3HG2 ILE 61 HG23 ILE 61 13.330 3.087 -1.285 456 1HD1 ILE 61 HD11 ILE 61 11.591 4.635 -4.373 457 2HD1 ILE 61 HD12 ILE 61 11.927 3.127 -3.523 458 3HD1 ILE 61 HD13 ILE 61 12.734 3.476 -5.051 459 H LYS 62 HN LYS 62 12.693 8.321 -1.110 460 HA LYS 62 HA LYS 62 12.053 7.814 1.638 461 1HB LYS 62 HB2 LYS 62 12.583 10.505 0.382 462 2HB LYS 62 HB1 LYS 62 12.871 10.013 2.049 463 1HG LYS 62 HG2 LYS 62 14.278 8.824 -0.310 464 2HG LYS 62 HG1 LYS 62 14.913 10.185 0.625 465 1HD LYS 62 HD2 LYS 62 14.236 7.465 1.748 466 2HD LYS 62 HD1 LYS 62 15.860 8.009 1.331 467 1HE LYS 62 HE2 LYS 62 14.044 9.239 3.402 468 2HE LYS 62 HE1 LYS 62 15.456 8.234 3.723 469 1HZ LYS 62 HZ1 LYS 62 16.746 10.011 3.589 470 2HZ LYS 62 HZ2 LYS 62 15.378 10.987 3.399 471 3HZ LYS 62 HZ3 LYS 62 16.178 10.377 2.038 472 H ASP 63 HN ASP 63 10.885 10.275 -0.648 473 HA ASP 63 HA ASP 63 8.605 11.020 0.791 474 1HB ASP 63 HB2 ASP 63 9.485 12.301 -1.142 475 2HB ASP 63 HB1 ASP 63 9.004 10.993 -2.218 476 H LEU 64 HN LEU 64 9.456 8.206 -0.855 477 HA LEU 64 HA LEU 64 6.735 7.300 -1.353 478 1HB LEU 64 HB2 LEU 64 8.660 6.786 -2.885 479 2HB LEU 64 HB1 LEU 64 9.336 5.790 -1.610 480 HG LEU 64 HG LEU 64 7.339 4.335 -1.698 481 1HD1 LEU 64 HD11 LEU 64 5.482 5.132 -2.619 482 2HD1 LEU 64 HD12 LEU 64 6.253 4.936 -4.193 483 3HD1 LEU 64 HD13 LEU 64 6.352 6.481 -3.349 484 1HD2 LEU 64 HD21 LEU 64 8.416 4.539 -4.480 485 2HD2 LEU 64 HD22 LEU 64 8.067 3.103 -3.516 486 3HD2 LEU 64 HD23 LEU 64 9.478 4.094 -3.144 487 H MET 65 HN MET 65 9.330 6.824 0.958 488 HA MET 65 HA MET 65 7.959 4.643 2.287 489 1HB MET 65 HB2 MET 65 10.487 4.839 1.962 490 2HB MET 65 HB1 MET 65 10.448 6.036 3.247 491 1HG MET 65 HG2 MET 65 9.463 3.207 3.525 492 2HG MET 65 HG1 MET 65 11.069 3.759 3.994 493 1HE MET 65 HE1 MET 65 10.309 6.193 6.934 494 2HE MET 65 HE2 MET 65 10.395 6.676 5.240 495 3HE MET 65 HE3 MET 65 11.536 5.493 5.879 496 H ASP 66 HN ASP 66 9.405 7.641 3.627 497 HA ASP 66 HA ASP 66 7.716 7.530 5.908 498 1HB ASP 66 HB2 ASP 66 8.663 9.749 6.481 499 2HB ASP 66 HB1 ASP 66 9.888 8.541 6.117 500 H ALA 67 HN ALA 67 7.764 9.873 3.200 501 HA ALA 67 HA ALA 67 5.630 11.425 3.977 502 1HB ALA 67 HB1 ALA 67 5.838 12.404 1.978 503 2HB ALA 67 HB2 ALA 67 5.654 10.885 1.102 504 3HB ALA 67 HB3 ALA 67 7.222 11.331 1.774 505 H ALA 68 HN ALA 68 5.508 8.404 2.101 506 HA ALA 68 HA ALA 68 2.706 8.408 1.728 507 1HB ALA 68 HB1 ALA 68 4.587 6.050 1.794 508 2HB ALA 68 HB2 ALA 68 4.231 7.041 0.379 509 3HB ALA 68 HB3 ALA 68 2.959 6.066 1.116 510 H ASP 69 HN ASP 69 4.658 6.373 3.919 511 HA ASP 69 HA ASP 69 2.430 5.514 5.444 512 1HB ASP 69 HB2 ASP 69 4.315 4.101 5.464 513 2HB ASP 69 HB1 ASP 69 5.409 5.419 5.885 514 H ILE 70 HN ILE 70 1.224 6.951 6.468 515 HA ILE 70 HA ILE 70 2.337 9.301 7.725 516 HB ILE 70 HB ILE 70 0.178 9.389 6.532 517 1HG1 ILE 70 HG12 ILE 70 -1.083 10.631 8.273 518 2HG1 ILE 70 HG11 ILE 70 0.005 9.980 9.495 519 1HG2 ILE 70 HG21 ILE 70 -0.817 7.311 6.928 520 2HG2 ILE 70 HG22 ILE 70 -1.824 8.461 7.808 521 3HG2 ILE 70 HG23 ILE 70 -0.653 7.467 8.677 522 1HD1 ILE 70 HD11 ILE 70 0.294 12.326 7.975 523 2HD1 ILE 70 HD12 ILE 70 1.549 11.209 7.439 524 3HD1 ILE 70 HD13 ILE 70 1.420 11.638 9.145 525 H ASP 71 HN ASP 71 1.616 6.103 8.608 526 HA ASP 71 HA ASP 71 0.899 6.421 11.313 527 1HB ASP 71 HB2 ASP 71 0.697 4.310 9.963 528 2HB ASP 71 HB1 ASP 71 2.442 4.120 10.094 529 H LYS 72 HN LYS 72 3.692 7.286 9.765 530 HA LYS 72 HA LYS 72 5.873 7.610 10.342 531 1HB LYS 72 HB2 LYS 72 6.119 8.936 12.450 532 2HB LYS 72 HB1 LYS 72 4.913 9.548 11.334 533 1HG LYS 72 HG2 LYS 72 3.928 9.762 13.429 534 2HG LYS 72 HG1 LYS 72 3.206 8.299 12.765 535 1HD LYS 72 HD2 LYS 72 3.787 7.935 15.081 536 2HD LYS 72 HD1 LYS 72 4.833 6.954 14.054 537 1HE LYS 72 HE2 LYS 72 6.606 8.635 14.270 538 2HE LYS 72 HE1 LYS 72 5.557 9.603 15.305 539 1HZ LYS 72 HZ1 LYS 72 7.315 7.838 16.231 540 2HZ LYS 72 HZ2 LYS 72 5.950 6.846 16.127 541 3HZ LYS 72 HZ3 LYS 72 5.900 8.258 17.058 542 H SER 73 HN SER 73 4.830 4.954 10.987 543 HA SER 73 HA SER 73 6.224 4.217 13.432 544 1HB SER 73 HB2 SER 73 5.374 1.943 12.955 545 2HB SER 73 HB1 SER 73 4.081 3.142 12.948 546 HG SER 73 HG SER 73 3.822 1.866 11.149 547 H GLY 74 HN GLY 74 7.233 4.921 10.436 548 1HA GLY 74 HA2 GLY 74 9.305 4.587 9.453 549 2HA GLY 74 HA1 GLY 74 9.703 3.476 10.757 550 H THR 75 HN THR 75 6.923 2.270 9.932 551 HA THR 75 HA THR 75 7.999 0.597 7.761 552 HB THR 75 HB THR 75 6.169 -0.158 10.045 553 HG1 THR 75 HG1 THR 75 8.784 -0.146 9.844 554 1HG2 THR 75 HG21 THR 75 5.753 -1.276 7.751 555 2HG2 THR 75 HG22 THR 75 5.888 -2.272 9.200 556 3HG2 THR 75 HG23 THR 75 7.257 -2.130 8.097 557 H ILE 76 HN ILE 76 6.776 0.355 5.965 558 HA ILE 76 HA ILE 76 4.248 1.825 5.901 559 HB ILE 76 HB ILE 76 5.887 2.479 4.228 560 1HG1 ILE 76 HG12 ILE 76 3.592 0.963 2.966 561 2HG1 ILE 76 HG11 ILE 76 3.464 2.563 3.690 562 1HG2 ILE 76 HG21 ILE 76 6.309 -0.328 4.021 563 2HG2 ILE 76 HG22 ILE 76 7.231 0.987 3.293 564 3HG2 ILE 76 HG23 ILE 76 5.854 0.295 2.435 565 1HD1 ILE 76 HD11 ILE 76 4.329 1.796 1.054 566 2HD1 ILE 76 HD12 ILE 76 5.543 2.785 1.866 567 3HD1 ILE 76 HD13 ILE 76 3.895 3.386 1.682 568 H ASP 77 HN ASP 77 2.351 0.875 5.651 569 HA ASP 77 HA ASP 77 2.293 -2.011 5.050 570 1HB ASP 77 HB2 ASP 77 1.684 -1.414 7.403 571 2HB ASP 77 HB1 ASP 77 0.347 -0.458 6.775 572 H TYR 78 HN TYR 78 0.352 -2.768 3.935 573 HA TYR 78 HA TYR 78 -0.225 -1.370 1.624 574 1HB TYR 78 HB2 TYR 78 -0.689 -3.842 2.184 575 2HB TYR 78 HB1 TYR 78 -2.206 -3.269 2.866 576 HD1 TYR 78 HD1 TYR 78 -3.920 -3.907 1.442 577 HD2 TYR 78 HD2 TYR 78 -0.354 -2.297 -0.229 578 HE1 TYR 78 HE1 TYR 78 -4.943 -3.971 -0.794 579 HE2 TYR 78 HE2 TYR 78 -1.368 -2.356 -2.467 580 HH TYR 78 HH TYR 78 -3.122 -2.986 -3.678 581 H GLY 79 HN GLY 79 -1.644 -1.053 4.773 582 1HA GLY 79 HA2 GLY 79 -4.004 0.333 3.901 583 2HA GLY 79 HA1 GLY 79 -3.435 0.178 5.555 584 H GLU 80 HN GLU 80 -0.779 1.278 4.909 585 HA GLU 80 HA GLU 80 -1.239 3.956 5.518 586 1HB GLU 80 HB2 GLU 80 1.197 2.737 4.206 587 2HB GLU 80 HB1 GLU 80 1.136 4.320 4.969 588 1HG GLU 80 HG2 GLU 80 0.767 1.657 6.319 589 2HG GLU 80 HG1 GLU 80 2.158 2.731 6.455 590 H PHE 81 HN PHE 81 -0.446 2.460 2.403 591 HA PHE 81 HA PHE 81 -0.212 4.601 0.743 592 1HB PHE 81 HB2 PHE 81 -1.749 2.053 0.187 593 2HB PHE 81 HB1 PHE 81 -1.276 3.213 -1.046 594 HD1 PHE 81 HD1 PHE 81 0.177 1.032 1.608 595 HD2 PHE 81 HD2 PHE 81 0.731 2.966 -2.143 596 HE1 PHE 81 HE1 PHE 81 2.329 -0.122 1.336 597 HE2 PHE 81 HE2 PHE 81 2.884 1.810 -2.423 598 HZ PHE 81 HZ PHE 81 3.685 0.263 -0.683 599 H ILE 82 HN ILE 82 -3.218 3.228 1.988 600 HA ILE 82 HA ILE 82 -4.906 5.052 0.549 601 HB ILE 82 HB ILE 82 -5.575 3.278 2.901 602 1HG1 ILE 82 HG12 ILE 82 -4.721 1.984 1.004 603 2HG1 ILE 82 HG11 ILE 82 -6.445 1.708 1.220 604 1HG2 ILE 82 HG21 ILE 82 -7.146 5.136 1.258 605 2HG2 ILE 82 HG22 ILE 82 -7.443 4.523 2.885 606 3HG2 ILE 82 HG23 ILE 82 -7.867 3.542 1.482 607 1HD1 ILE 82 HD11 ILE 82 -6.395 3.780 -0.568 608 2HD1 ILE 82 HD12 ILE 82 -6.589 2.073 -0.969 609 3HD1 ILE 82 HD13 ILE 82 -4.993 2.821 -1.041 610 H ALA 83 HN ALA 83 -3.625 4.822 3.829 611 HA ALA 83 HA ALA 83 -5.135 6.825 5.047 612 1HB ALA 83 HB1 ALA 83 -3.098 5.147 5.821 613 2HB ALA 83 HB2 ALA 83 -3.865 6.377 6.827 614 3HB ALA 83 HB3 ALA 83 -2.373 6.749 5.963 615 H ALA 84 HN ALA 84 -2.540 7.048 2.773 616 HA ALA 84 HA ALA 84 -2.275 9.933 3.260 617 1HB ALA 84 HB1 ALA 84 -0.412 9.227 1.328 618 2HB ALA 84 HB2 ALA 84 -0.432 7.859 2.440 619 3HB ALA 84 HB3 ALA 84 -0.105 9.483 3.045 620 H THR 85 HN THR 85 -3.896 10.917 2.179 621 HA THR 85 HA THR 85 -4.182 10.296 -0.688 622 HB THR 85 HB THR 85 -6.498 11.147 -0.504 623 HG1 THR 85 HG1 THR 85 -5.947 12.414 1.461 624 1HG2 THR 85 HG21 THR 85 -7.023 9.023 -0.209 625 2HG2 THR 85 HG22 THR 85 -6.990 9.312 1.530 626 3HG2 THR 85 HG23 THR 85 -5.545 8.725 0.707 627 H VAL 86 HN VAL 86 -4.782 12.125 -2.066 628 HA VAL 86 HA VAL 86 -3.230 14.472 -1.355 629 HB VAL 86 HB VAL 86 -3.607 15.186 -3.679 630 1HG1 VAL 86 HG11 VAL 86 -1.757 14.005 -4.024 631 2HG1 VAL 86 HG12 VAL 86 -2.770 12.640 -4.496 632 3HG1 VAL 86 HG13 VAL 86 -2.241 12.809 -2.822 633 1HG2 VAL 86 HG21 VAL 86 -5.362 14.451 -4.825 634 2HG2 VAL 86 HG22 VAL 86 -5.763 13.330 -3.525 635 3HG2 VAL 86 HG23 VAL 86 -4.676 12.827 -4.819 636 H HIS 87 HN HIS 87 -4.016 16.605 -1.419 637 HA HIS 87 HA HIS 87 -5.465 18.275 -0.896 638 1HB HIS 87 HB2 HIS 87 -7.447 16.594 -2.445 639 2HB HIS 87 HB1 HIS 87 -7.615 18.304 -2.063 640 HD1 HIS 87 HD1 HIS 87 -5.260 19.669 -2.995 641 HD2 HIS 87 HD2 HIS 87 -6.642 16.299 -4.993 642 HE1 HIS 87 HE1 HIS 87 -4.276 19.807 -5.304 643 HE2 HIS 87 HE2 HIS 87 -5.047 17.707 -6.463 Start of MODEL 15 1 1H HIS 1 HT1 HIS 1 16.040 15.613 -2.844 2 2H HIS 1 HT2 HIS 1 14.472 16.151 -2.510 3 3H HIS 1 HT3 HIS 1 15.081 16.250 -4.084 4 HA HIS 1 HA HIS 1 14.315 13.831 -2.570 5 1HB HIS 1 HB2 HIS 1 13.486 14.963 -5.253 6 2HB HIS 1 HB1 HIS 1 12.867 13.477 -4.541 7 HD1 HIS 1 HD1 HIS 1 11.885 14.067 -1.907 8 HD2 HIS 1 HD2 HIS 1 11.738 16.971 -4.877 9 HE1 HIS 1 HE1 HIS 1 10.128 15.704 -1.161 10 HE2 HIS 1 HE2 HIS 1 9.993 17.403 -3.017 11 H SER 2 HN SER 2 15.454 12.034 -2.895 12 HA SER 2 HA SER 2 17.703 11.997 -4.649 13 1HB SER 2 HB2 SER 2 17.735 10.772 -2.529 14 2HB SER 2 HB1 SER 2 16.408 9.751 -3.084 15 HG SER 2 HG SER 2 18.975 9.933 -4.284 16 H SER 3 HN SER 3 18.005 10.923 -6.565 17 HA SER 3 HA SER 3 15.622 9.683 -7.774 18 1HB SER 3 HB2 SER 3 15.996 11.911 -8.747 19 2HB SER 3 HB1 SER 3 17.647 11.455 -9.166 20 HG SER 3 HG SER 3 16.808 10.739 -10.945 21 H GLY 4 HN GLY 4 17.361 8.095 -6.457 22 1HA GLY 4 HA2 GLY 4 18.011 6.083 -8.170 23 2HA GLY 4 HA1 GLY 4 19.439 7.107 -8.188 24 H HIS 5 HN HIS 5 19.505 7.925 -5.531 25 HA HIS 5 HA HIS 5 20.045 5.370 -4.167 26 1HB HIS 5 HB2 HIS 5 21.391 8.051 -3.765 27 2HB HIS 5 HB1 HIS 5 21.778 6.569 -2.898 28 HD1 HIS 5 HD1 HIS 5 21.542 7.533 -6.582 29 HD2 HIS 5 HD2 HIS 5 23.979 5.432 -3.953 30 HE1 HIS 5 HE1 HIS 5 23.454 6.680 -7.975 31 HE2 HIS 5 HE2 HIS 5 24.874 5.344 -6.379 32 H ILE 6 HN ILE 6 17.643 5.646 -3.661 33 HA ILE 6 HA ILE 6 17.153 7.513 -1.479 34 HB ILE 6 HB ILE 6 15.425 7.619 -3.056 35 1HG1 ILE 6 HG12 ILE 6 14.505 5.688 -0.935 36 2HG1 ILE 6 HG11 ILE 6 14.628 7.431 -0.732 37 1HG2 ILE 6 HG21 ILE 6 14.193 5.425 -3.692 38 2HG2 ILE 6 HG22 ILE 6 15.693 4.646 -3.188 39 3HG2 ILE 6 HG23 ILE 6 15.711 5.834 -4.492 40 1HD1 ILE 6 HD11 ILE 6 12.334 6.307 -1.259 41 2HD1 ILE 6 HD12 ILE 6 12.926 6.343 -2.920 42 3HD1 ILE 6 HD13 ILE 6 12.768 7.844 -2.007 43 H ASP 7 HN ASP 7 17.804 6.751 0.424 44 HA ASP 7 HA ASP 7 17.837 3.960 1.066 45 1HB ASP 7 HB2 ASP 7 18.671 4.735 3.269 46 2HB ASP 7 HB1 ASP 7 19.587 5.404 1.923 47 H ASP 8 HN ASP 8 15.439 3.814 0.615 48 HA ASP 8 HA ASP 8 13.998 4.165 3.150 49 1HB ASP 8 HB2 ASP 8 12.954 4.789 0.384 50 2HB ASP 8 HB1 ASP 8 11.921 4.629 1.801 51 H ASP 9 HN ASP 9 12.931 2.859 0.034 52 HA ASP 9 HA ASP 9 12.997 0.149 1.141 53 1HB ASP 9 HB2 ASP 9 10.533 1.440 -0.054 54 2HB ASP 9 HB1 ASP 9 10.681 -0.268 0.345 55 H ASP 10 HN ASP 10 13.969 2.089 -1.217 56 HA ASP 10 HA ASP 10 13.386 0.354 -3.470 57 1HB ASP 10 HB2 ASP 10 13.326 2.908 -3.486 58 2HB ASP 10 HB1 ASP 10 15.082 2.831 -3.487 59 H LYS 11 HN LYS 11 16.310 1.906 -2.223 60 HA LYS 11 HA LYS 11 17.980 -0.104 -3.452 61 1HB LYS 11 HB2 LYS 11 19.818 1.321 -2.829 62 2HB LYS 11 HB1 LYS 11 18.522 2.306 -3.485 63 1HG LYS 11 HG2 LYS 11 19.181 3.563 -1.691 64 2HG LYS 11 HG1 LYS 11 17.847 2.637 -1.005 65 1HD LYS 11 HD2 LYS 11 19.693 2.653 0.546 66 2HD LYS 11 HD1 LYS 11 19.488 1.023 -0.095 67 1HE LYS 11 HE2 LYS 11 21.842 1.610 -0.016 68 2HE LYS 11 HE1 LYS 11 21.310 1.431 -1.687 69 1HZ LYS 11 HZ1 LYS 11 21.941 3.496 -2.109 70 2HZ LYS 11 HZ2 LYS 11 22.572 3.616 -0.545 71 3HZ LYS 11 HZ3 LYS 11 20.984 4.110 -0.855 72 H HIS 12 HN HIS 12 16.931 0.804 -0.251 73 HA HIS 12 HA HIS 12 18.791 -0.888 1.123 74 1HB HIS 12 HB2 HIS 12 16.640 0.961 1.854 75 2HB HIS 12 HB1 HIS 12 16.753 -0.445 2.914 76 HD1 HIS 12 HD1 HIS 12 19.488 -0.867 3.614 77 HD2 HIS 12 HD2 HIS 12 18.150 2.976 2.786 78 HE1 HIS 12 HE1 HIS 12 21.156 0.672 4.696 79 HE2 HIS 12 HE2 HIS 12 20.265 2.990 4.273 80 H MET 13 HN MET 13 15.590 -1.273 -0.180 81 HA MET 13 HA MET 13 15.159 -3.781 1.220 82 1HB MET 13 HB2 MET 13 13.259 -2.294 0.855 83 2HB MET 13 HB1 MET 13 13.501 -2.386 -0.884 84 1HG MET 13 HG2 MET 13 13.014 -4.786 -0.815 85 2HG MET 13 HG1 MET 13 12.739 -4.668 0.922 86 1HE MET 13 HE1 MET 13 11.066 -3.158 1.994 87 2HE MET 13 HE2 MET 13 9.533 -2.660 1.278 88 3HE MET 13 HE3 MET 13 10.991 -1.711 0.988 89 H ALA 14 HN ALA 14 16.029 -2.684 -2.005 90 HA ALA 14 HA ALA 14 15.884 -5.367 -3.091 91 1HB ALA 14 HB1 ALA 14 16.882 -4.133 -5.137 92 2HB ALA 14 HB2 ALA 14 16.478 -2.673 -4.233 93 3HB ALA 14 HB3 ALA 14 15.211 -3.821 -4.665 94 H GLU 15 HN GLU 15 18.137 -3.795 -1.235 95 HA GLU 15 HA GLU 15 20.472 -4.782 -2.633 96 1HB GLU 15 HB2 GLU 15 21.769 -3.801 -0.818 97 2HB GLU 15 HB1 GLU 15 20.609 -2.641 -1.449 98 1HG GLU 15 HG2 GLU 15 19.143 -3.035 0.433 99 2HG GLU 15 HG1 GLU 15 20.234 -4.274 1.049 100 H ARG 16 HN ARG 16 18.645 -5.542 0.268 101 HA ARG 16 HA ARG 16 19.809 -8.213 0.231 102 1HB ARG 16 HB2 ARG 16 20.126 -8.082 2.755 103 2HB ARG 16 HB1 ARG 16 21.299 -7.231 1.761 104 1HG ARG 16 HG2 ARG 16 20.193 -5.122 2.211 105 2HG ARG 16 HG1 ARG 16 18.948 -5.954 3.144 106 1HD ARG 16 HD2 ARG 16 21.891 -5.925 3.806 107 2HD ARG 16 HD1 ARG 16 20.672 -4.904 4.567 108 HE ARG 16 HE ARG 16 19.878 -7.579 4.817 109 1HH1 ARG 16 HH11 ARG 16 22.363 -5.425 5.973 110 2HH1 ARG 16 HH12 ARG 16 22.573 -6.266 7.473 111 1HH2 ARG 16 HH21 ARG 16 20.148 -8.689 6.791 112 2HH2 ARG 16 HH22 ARG 16 21.313 -8.118 7.938 113 H LEU 17 HN LEU 17 18.389 -7.627 3.201 114 HA LEU 17 HA LEU 17 16.239 -9.355 2.757 115 1HB LEU 17 HB2 LEU 17 17.339 -8.822 4.945 116 2HB LEU 17 HB1 LEU 17 16.492 -7.289 4.941 117 HG LEU 17 HG LEU 17 14.997 -9.897 4.824 118 1HD1 LEU 17 HD11 LEU 17 16.540 -9.842 6.793 119 2HD1 LEU 17 HD12 LEU 17 14.827 -9.913 7.203 120 3HD1 LEU 17 HD13 LEU 17 15.703 -8.388 7.333 121 1HD2 LEU 17 HD21 LEU 17 13.469 -8.174 6.205 122 2HD2 LEU 17 HD22 LEU 17 13.406 -8.335 4.450 123 3HD2 LEU 17 HD23 LEU 17 14.352 -7.039 5.182 124 H SER 18 HN SER 18 14.036 -9.030 2.548 125 HA SER 18 HA SER 18 13.101 -6.306 1.997 126 1HB SER 18 HB2 SER 18 11.841 -7.141 0.027 127 2HB SER 18 HB1 SER 18 13.585 -7.289 -0.183 128 HG SER 18 HG SER 18 13.395 -9.490 0.369 129 H GLU 19 HN GLU 19 11.663 -6.011 3.580 130 HA GLU 19 HA GLU 19 10.075 -8.199 4.601 131 1HB GLU 19 HB2 GLU 19 10.214 -5.279 5.340 132 2HB GLU 19 HB1 GLU 19 9.185 -6.446 6.158 133 1HG GLU 19 HG2 GLU 19 11.161 -7.721 6.817 134 2HG GLU 19 HG1 GLU 19 12.188 -6.547 5.994 135 H GLU 20 HN GLU 20 9.706 -6.009 2.077 136 HA GLU 20 HA GLU 20 6.877 -5.587 2.342 137 1HB GLU 20 HB2 GLU 20 8.328 -3.971 1.174 138 2HB GLU 20 HB1 GLU 20 8.672 -5.179 -0.057 139 1HG GLU 20 HG2 GLU 20 6.335 -5.205 -0.714 140 2HG GLU 20 HG1 GLU 20 5.953 -4.040 0.553 141 H GLU 21 HN GLU 21 8.779 -7.313 -0.139 142 HA GLU 21 HA GLU 21 6.616 -8.650 -1.295 143 1HB GLU 21 HB2 GLU 21 9.542 -9.385 -1.199 144 2HB GLU 21 HB1 GLU 21 8.359 -10.228 -2.188 145 1HG GLU 21 HG2 GLU 21 9.575 -8.640 -3.525 146 2HG GLU 21 HG1 GLU 21 7.890 -8.142 -3.387 147 H ILE 22 HN ILE 22 8.470 -9.388 1.549 148 HA ILE 22 HA ILE 22 7.334 -12.073 1.727 149 HB ILE 22 HB ILE 22 9.294 -10.705 3.575 150 1HG1 ILE 22 HG12 ILE 22 9.787 -12.690 1.344 151 2HG1 ILE 22 HG11 ILE 22 10.178 -10.974 1.286 152 1HG2 ILE 22 HG21 ILE 22 7.930 -12.623 4.495 153 2HG2 ILE 22 HG22 ILE 22 9.680 -12.826 4.554 154 3HG2 ILE 22 HG23 ILE 22 8.738 -13.651 3.311 155 1HD1 ILE 22 HD11 ILE 22 12.020 -11.217 2.561 156 2HD1 ILE 22 HD12 ILE 22 11.947 -12.862 1.929 157 3HD1 ILE 22 HD13 ILE 22 11.314 -12.505 3.536 158 H GLY 23 HN GLY 23 6.697 -8.913 2.879 159 1HA GLY 23 HA2 GLY 23 5.319 -9.892 5.264 160 2HA GLY 23 HA1 GLY 23 5.597 -8.212 4.847 161 H GLY 24 HN GLY 24 4.377 -7.552 2.730 162 1HA GLY 24 HA2 GLY 24 1.593 -8.294 3.216 163 2HA GLY 24 HA1 GLY 24 2.148 -6.884 2.336 164 H LEU 25 HN LEU 25 3.872 -8.171 0.505 165 HA LEU 25 HA LEU 25 2.235 -8.677 -1.611 166 1HB LEU 25 HB2 LEU 25 5.035 -9.512 -1.012 167 2HB LEU 25 HB1 LEU 25 4.256 -10.104 -2.466 168 HG LEU 25 HG LEU 25 5.635 -8.123 -2.902 169 1HD1 LEU 25 HD11 LEU 25 2.803 -8.362 -3.498 170 2HD1 LEU 25 HD12 LEU 25 4.157 -7.962 -4.556 171 3HD1 LEU 25 HD13 LEU 25 3.383 -6.700 -3.597 172 1HD2 LEU 25 HD21 LEU 25 4.890 -7.188 -0.515 173 2HD2 LEU 25 HD22 LEU 25 3.728 -6.328 -1.524 174 3HD2 LEU 25 HD23 LEU 25 5.457 -6.142 -1.815 175 H LYS 26 HN LYS 26 2.652 -10.792 1.027 176 HA LYS 26 HA LYS 26 1.983 -13.166 -0.516 177 1HB LYS 26 HB2 LYS 26 3.591 -13.343 1.322 178 2HB LYS 26 HB1 LYS 26 2.371 -12.772 2.452 179 1HG LYS 26 HG2 LYS 26 1.015 -14.766 1.963 180 2HG LYS 26 HG1 LYS 26 2.288 -15.345 0.888 181 1HD LYS 26 HD2 LYS 26 2.504 -16.438 3.025 182 2HD LYS 26 HD1 LYS 26 3.855 -15.325 2.810 183 1HE LYS 26 HE2 LYS 26 2.724 -13.672 4.208 184 2HE LYS 26 HE1 LYS 26 1.357 -14.767 4.407 185 1HZ LYS 26 HZ1 LYS 26 3.929 -15.885 5.117 186 2HZ LYS 26 HZ2 LYS 26 2.446 -15.979 5.926 187 3HZ LYS 26 HZ3 LYS 26 3.420 -14.607 6.103 188 H GLU 27 HN GLU 27 0.602 -11.856 2.506 189 HA GLU 27 HA GLU 27 -1.984 -12.935 1.738 190 1HB GLU 27 HB2 GLU 27 -2.622 -12.185 4.081 191 2HB GLU 27 HB1 GLU 27 -1.448 -13.486 3.944 192 1HG GLU 27 HG2 GLU 27 0.359 -11.904 4.369 193 2HG GLU 27 HG1 GLU 27 -0.813 -10.592 4.482 194 H LEU 28 HN LEU 28 -1.054 -9.885 3.280 195 HA LEU 28 HA LEU 28 -3.324 -8.461 2.945 196 1HB LEU 28 HB2 LEU 28 -1.380 -7.700 4.204 197 2HB LEU 28 HB1 LEU 28 -0.514 -7.403 2.709 198 HG LEU 28 HG LEU 28 -2.181 -5.672 2.112 199 1HD1 LEU 28 HD11 LEU 28 -3.276 -5.260 4.728 200 2HD1 LEU 28 HD12 LEU 28 -3.683 -6.877 4.155 201 3HD1 LEU 28 HD13 LEU 28 -4.110 -5.465 3.188 202 1HD2 LEU 28 HD21 LEU 28 -1.537 -4.110 4.070 203 2HD2 LEU 28 HD22 LEU 28 -0.261 -4.776 3.049 204 3HD2 LEU 28 HD23 LEU 28 -0.583 -5.482 4.633 205 H PHE 29 HN PHE 29 -0.725 -8.660 0.514 206 HA PHE 29 HA PHE 29 -2.099 -6.881 -1.268 207 1HB PHE 29 HB2 PHE 29 0.316 -8.643 -1.596 208 2HB PHE 29 HB1 PHE 29 -0.347 -7.704 -2.931 209 HD1 PHE 29 HD1 PHE 29 1.172 -6.032 -3.352 210 HD2 PHE 29 HD2 PHE 29 0.030 -6.837 0.661 211 HE1 PHE 29 HE1 PHE 29 2.430 -4.066 -2.600 212 HE2 PHE 29 HE2 PHE 29 1.283 -4.878 1.419 213 HZ PHE 29 HZ PHE 29 2.493 -3.478 -0.210 214 H LYS 30 HN LYS 30 -1.162 -10.262 -1.752 215 HA LYS 30 HA LYS 30 -2.579 -10.835 -3.994 216 1HB LYS 30 HB2 LYS 30 -2.208 -12.623 -1.589 217 2HB LYS 30 HB1 LYS 30 -2.754 -13.182 -3.163 218 1HG LYS 30 HG2 LYS 30 -0.115 -11.824 -2.658 219 2HG LYS 30 HG1 LYS 30 -0.349 -13.571 -2.749 220 1HD LYS 30 HD2 LYS 30 -1.012 -11.628 -4.961 221 2HD LYS 30 HD1 LYS 30 0.474 -12.577 -4.868 222 1HE LYS 30 HE2 LYS 30 -2.331 -13.677 -5.032 223 2HE LYS 30 HE1 LYS 30 -1.159 -13.630 -6.348 224 1HZ LYS 30 HZ1 LYS 30 -1.343 -15.803 -5.159 225 2HZ LYS 30 HZ2 LYS 30 -0.672 -15.058 -3.796 226 3HZ LYS 30 HZ3 LYS 30 0.223 -15.166 -5.226 227 H MET 31 HN MET 31 -3.892 -10.488 -0.762 228 HA MET 31 HA MET 31 -6.516 -11.364 -1.596 229 1HB MET 31 HB2 MET 31 -5.768 -12.121 0.541 230 2HB MET 31 HB1 MET 31 -5.362 -10.488 1.045 231 1HG MET 31 HG2 MET 31 -8.171 -11.238 0.356 232 2HG MET 31 HG1 MET 31 -7.498 -11.567 1.952 233 1HE MET 31 HE1 MET 31 -9.897 -8.408 2.243 234 2HE MET 31 HE2 MET 31 -9.590 -10.023 2.882 235 3HE MET 31 HE3 MET 31 -10.040 -9.816 1.191 236 H ILE 32 HN ILE 32 -4.876 -8.324 -0.780 237 HA ILE 32 HA ILE 32 -7.410 -6.876 -1.028 238 HB ILE 32 HB ILE 32 -4.671 -5.987 -0.139 239 1HG1 ILE 32 HG12 ILE 32 -6.084 -7.170 1.511 240 2HG1 ILE 32 HG11 ILE 32 -5.787 -5.496 1.967 241 1HG2 ILE 32 HG21 ILE 32 -5.542 -4.195 -1.488 242 2HG2 ILE 32 HG22 ILE 32 -5.653 -3.743 0.214 243 3HG2 ILE 32 HG23 ILE 32 -7.095 -4.272 -0.654 244 1HD1 ILE 32 HD11 ILE 32 -7.956 -5.016 1.965 245 2HD1 ILE 32 HD12 ILE 32 -8.225 -6.758 1.901 246 3HD1 ILE 32 HD13 ILE 32 -8.218 -5.811 0.413 247 H ASP 33 HN ASP 33 -4.104 -6.365 -2.168 248 HA ASP 33 HA ASP 33 -4.679 -4.648 -4.247 249 1HB ASP 33 HB2 ASP 33 -2.405 -5.257 -3.305 250 2HB ASP 33 HB1 ASP 33 -2.473 -6.716 -4.288 251 H THR 34 HN THR 34 -6.445 -5.215 -5.460 252 HA THR 34 HA THR 34 -6.996 -7.749 -6.512 253 HB THR 34 HB THR 34 -7.728 -5.043 -7.665 254 HG1 THR 34 HG1 THR 34 -8.369 -5.964 -5.364 255 1HG2 THR 34 HG21 THR 34 -8.118 -7.141 -9.095 256 2HG2 THR 34 HG22 THR 34 -9.457 -6.021 -8.845 257 3HG2 THR 34 HG23 THR 34 -9.376 -7.520 -7.919 258 H ASP 35 HN ASP 35 -4.523 -5.629 -7.160 259 HA ASP 35 HA ASP 35 -4.107 -6.499 -9.906 260 1HB ASP 35 HB2 ASP 35 -3.847 -4.075 -9.090 261 2HB ASP 35 HB1 ASP 35 -2.346 -4.626 -8.355 262 H ASN 36 HN ASN 36 -2.945 -7.074 -6.663 263 HA ASN 36 HA ASN 36 -1.247 -8.370 -5.858 264 1HB ASN 36 HB2 ASN 36 -1.669 -9.957 -8.396 265 2HB ASN 36 HB1 ASN 36 -1.034 -10.550 -6.865 266 1HD2 ASN 36 HD21 ASN 36 -3.651 -10.598 -8.761 267 2HD2 ASN 36 HD22 ASN 36 -4.891 -10.822 -7.579 268 H SER 37 HN SER 37 -0.600 -6.182 -7.891 269 HA SER 37 HA SER 37 1.833 -7.204 -9.127 270 1HB SER 37 HB2 SER 37 2.036 -4.935 -10.089 271 2HB SER 37 HB1 SER 37 0.456 -5.645 -10.420 272 HG SER 37 HG SER 37 0.035 -4.425 -8.236 273 H GLY 38 HN GLY 38 0.828 -5.624 -6.291 274 1HA GLY 38 HA2 GLY 38 2.425 -5.612 -4.438 275 2HA GLY 38 HA1 GLY 38 3.667 -5.149 -5.590 276 H THR 39 HN THR 39 0.874 -3.499 -6.319 277 HA THR 39 HA THR 39 1.372 -1.310 -4.447 278 HB THR 39 HB THR 39 1.410 0.342 -6.297 279 HG1 THR 39 HG1 THR 39 2.125 -1.347 -8.263 280 1HG2 THR 39 HG21 THR 39 3.540 -1.068 -5.418 281 2HG2 THR 39 HG22 THR 39 3.627 0.281 -6.551 282 3HG2 THR 39 HG23 THR 39 3.619 -1.377 -7.152 283 H ILE 40 HN ILE 40 -0.501 -0.400 -3.783 284 HA ILE 40 HA ILE 40 -2.929 -1.199 -5.240 285 HB ILE 40 HB ILE 40 -2.538 -0.343 -2.373 286 1HG1 ILE 40 HG12 ILE 40 -3.579 -2.579 -1.939 287 2HG1 ILE 40 HG11 ILE 40 -3.503 -2.894 -3.670 288 1HG2 ILE 40 HG21 ILE 40 -4.715 0.094 -2.086 289 2HG2 ILE 40 HG22 ILE 40 -5.217 -1.227 -3.141 290 3HG2 ILE 40 HG23 ILE 40 -4.743 0.322 -3.835 291 1HD1 ILE 40 HD11 ILE 40 -1.033 -2.177 -2.144 292 2HD1 ILE 40 HD12 ILE 40 -1.193 -3.071 -3.657 293 3HD1 ILE 40 HD13 ILE 40 -1.657 -3.827 -2.132 294 H THR 41 HN THR 41 -4.406 0.262 -5.959 295 HA THR 41 HA THR 41 -3.864 3.113 -5.476 296 HB THR 41 HB THR 41 -4.497 3.582 -7.824 297 HG1 THR 41 HG1 THR 41 -5.397 1.159 -7.811 298 1HG2 THR 41 HG21 THR 41 -2.198 1.670 -7.518 299 2HG2 THR 41 HG22 THR 41 -2.146 3.431 -7.426 300 3HG2 THR 41 HG23 THR 41 -2.514 2.638 -8.958 301 H PHE 42 HN PHE 42 -5.677 4.415 -5.288 302 HA PHE 42 HA PHE 42 -7.883 3.674 -4.044 303 1HB PHE 42 HB2 PHE 42 -7.403 5.992 -4.473 304 2HB PHE 42 HB1 PHE 42 -7.687 5.780 -6.197 305 HD1 PHE 42 HD1 PHE 42 -9.495 7.080 -6.741 306 HD2 PHE 42 HD2 PHE 42 -9.660 4.657 -3.251 307 HE1 PHE 42 HE1 PHE 42 -11.853 7.682 -6.439 308 HE2 PHE 42 HE2 PHE 42 -12.017 5.251 -2.943 309 HZ PHE 42 HZ PHE 42 -13.128 6.769 -4.537 310 H ASP 43 HN ASP 43 -7.666 3.716 -7.602 311 HA ASP 43 HA ASP 43 -10.244 2.989 -8.236 312 1HB ASP 43 HB2 ASP 43 -8.522 3.579 -9.903 313 2HB ASP 43 HB1 ASP 43 -7.717 2.041 -9.608 314 H GLU 44 HN GLU 44 -7.518 0.834 -7.519 315 HA GLU 44 HA GLU 44 -9.265 -1.486 -7.533 316 1HB GLU 44 HB2 GLU 44 -7.188 -2.761 -7.193 317 2HB GLU 44 HB1 GLU 44 -7.076 -1.678 -8.571 318 1HG GLU 44 HG2 GLU 44 -5.941 -0.044 -7.009 319 2HG GLU 44 HG1 GLU 44 -5.798 -1.394 -5.884 320 H LEU 45 HN LEU 45 -8.084 0.766 -5.266 321 HA LEU 45 HA LEU 45 -7.845 -0.825 -2.977 322 1HB LEU 45 HB2 LEU 45 -7.048 1.507 -3.129 323 2HB LEU 45 HB1 LEU 45 -8.713 2.061 -3.123 324 HG LEU 45 HG LEU 45 -9.016 1.116 -0.868 325 1HD1 LEU 45 HD11 LEU 45 -6.052 0.581 -0.920 326 2HD1 LEU 45 HD12 LEU 45 -7.288 -0.662 -1.110 327 3HD1 LEU 45 HD13 LEU 45 -7.180 0.251 0.395 328 1HD2 LEU 45 HD21 LEU 45 -8.304 3.460 -1.208 329 2HD2 LEU 45 HD22 LEU 45 -6.627 2.944 -1.038 330 3HD2 LEU 45 HD23 LEU 45 -7.742 2.778 0.317 331 H LYS 46 HN LYS 46 -10.610 0.933 -4.310 332 HA LYS 46 HA LYS 46 -12.501 0.623 -2.379 333 1HB LYS 46 HB2 LYS 46 -12.918 0.344 -5.357 334 2HB LYS 46 HB1 LYS 46 -14.184 0.663 -4.179 335 1HG LYS 46 HG2 LYS 46 -13.052 2.771 -3.583 336 2HG LYS 46 HG1 LYS 46 -11.862 2.457 -4.848 337 1HD LYS 46 HD2 LYS 46 -14.834 2.768 -5.272 338 2HD LYS 46 HD1 LYS 46 -13.617 3.999 -5.604 339 1HE LYS 46 HE2 LYS 46 -12.572 2.511 -7.250 340 2HE LYS 46 HE1 LYS 46 -13.801 1.290 -6.921 341 1HZ LYS 46 HZ1 LYS 46 -15.236 2.311 -8.255 342 2HZ LYS 46 HZ2 LYS 46 -13.945 3.254 -8.809 343 3HZ LYS 46 HZ3 LYS 46 -14.941 3.830 -7.569 344 H ASP 47 HN ASP 47 -11.894 -1.715 -5.005 345 HA ASP 47 HA ASP 47 -13.730 -3.631 -4.525 346 1HB ASP 47 HB2 ASP 47 -10.816 -4.117 -5.167 347 2HB ASP 47 HB1 ASP 47 -12.112 -5.288 -5.387 348 H GLY 48 HN GLY 48 -11.120 -2.812 -2.418 349 1HA GLY 48 HA2 GLY 48 -10.945 -5.231 -0.958 350 2HA GLY 48 HA1 GLY 48 -10.460 -3.643 -0.376 351 H LEU 49 HN LEU 49 -12.626 -2.191 -0.177 352 HA LEU 49 HA LEU 49 -14.191 -3.573 1.856 353 1HB LEU 49 HB2 LEU 49 -14.012 -0.668 1.053 354 2HB LEU 49 HB1 LEU 49 -15.116 -1.264 2.276 355 HG LEU 49 HG LEU 49 -13.183 -0.287 3.338 356 1HD1 LEU 49 HD11 LEU 49 -14.213 -2.266 4.376 357 2HD1 LEU 49 HD12 LEU 49 -12.495 -2.122 4.747 358 3HD1 LEU 49 HD13 LEU 49 -13.042 -3.289 3.544 359 1HD2 LEU 49 HD21 LEU 49 -10.954 -0.935 2.954 360 2HD2 LEU 49 HD22 LEU 49 -11.663 -0.723 1.353 361 3HD2 LEU 49 HD23 LEU 49 -11.440 -2.344 2.012 362 H LYS 50 HN LYS 50 -14.372 -2.820 -1.401 363 HA LYS 50 HA LYS 50 -17.134 -2.293 -1.697 364 1HB LYS 50 HB2 LYS 50 -15.388 -1.758 -3.395 365 2HB LYS 50 HB1 LYS 50 -15.228 -3.476 -3.721 366 1HG LYS 50 HG2 LYS 50 -17.851 -2.053 -4.022 367 2HG LYS 50 HG1 LYS 50 -16.652 -2.081 -5.312 368 1HD LYS 50 HD2 LYS 50 -17.890 -4.513 -4.017 369 2HD LYS 50 HD1 LYS 50 -18.349 -3.839 -5.581 370 1HE LYS 50 HE2 LYS 50 -15.644 -4.957 -4.847 371 2HE LYS 50 HE1 LYS 50 -16.855 -5.743 -5.859 372 1HZ LYS 50 HZ1 LYS 50 -14.865 -3.961 -6.645 373 2HZ LYS 50 HZ2 LYS 50 -16.344 -3.172 -6.869 374 3HZ LYS 50 HZ3 LYS 50 -16.065 -4.668 -7.607 375 H ARG 51 HN ARG 51 -15.186 -5.236 -1.994 376 HA ARG 51 HA ARG 51 -16.945 -7.082 -2.891 377 1HB ARG 51 HB2 ARG 51 -14.938 -7.353 -0.662 378 2HB ARG 51 HB1 ARG 51 -15.826 -8.727 -1.304 379 1HG ARG 51 HG2 ARG 51 -14.021 -6.922 -2.900 380 2HG ARG 51 HG1 ARG 51 -13.591 -8.517 -2.281 381 1HD ARG 51 HD2 ARG 51 -15.355 -9.526 -3.625 382 2HD ARG 51 HD1 ARG 51 -15.830 -7.935 -4.218 383 HE ARG 51 HE ARG 51 -13.123 -8.313 -4.800 384 1HH1 ARG 51 HH11 ARG 51 -16.227 -9.620 -5.698 385 2HH1 ARG 51 HH12 ARG 51 -15.722 -10.059 -7.296 386 1HH2 ARG 51 HH21 ARG 51 -12.451 -8.887 -6.900 387 2HH2 ARG 51 HH22 ARG 51 -13.575 -9.643 -7.979 388 H VAL 52 HN VAL 52 -16.862 -5.842 0.438 389 HA VAL 52 HA VAL 52 -19.143 -7.504 1.149 390 HB VAL 52 HB VAL 52 -18.908 -6.547 3.403 391 1HG1 VAL 52 HG11 VAL 52 -16.140 -7.212 3.113 392 2HG1 VAL 52 HG12 VAL 52 -17.110 -8.246 2.065 393 3HG1 VAL 52 HG13 VAL 52 -17.452 -8.175 3.793 394 1HG2 VAL 52 HG21 VAL 52 -16.383 -5.181 2.598 395 2HG2 VAL 52 HG22 VAL 52 -17.441 -4.873 3.974 396 3HG2 VAL 52 HG23 VAL 52 -17.921 -4.352 2.359 397 H GLY 53 HN GLY 53 -18.420 -4.158 0.402 398 1HA GLY 53 HA2 GLY 53 -19.756 -2.262 0.389 399 2HA GLY 53 HA1 GLY 53 -20.816 -3.337 -0.507 400 H SER 54 HN SER 54 -19.919 -3.218 2.940 401 HA SER 54 HA SER 54 -22.539 -3.813 3.811 402 1HB SER 54 HB2 SER 54 -20.587 -4.321 5.188 403 2HB SER 54 HB1 SER 54 -20.219 -2.603 5.336 404 HG SER 54 HG SER 54 -21.976 -2.324 6.606 405 H GLU 55 HN GLU 55 -20.997 -0.980 5.166 406 HA GLU 55 HA GLU 55 -23.124 0.736 4.099 407 1HB GLU 55 HB2 GLU 55 -23.747 -0.119 6.381 408 2HB GLU 55 HB1 GLU 55 -22.323 0.691 7.016 409 1HG GLU 55 HG2 GLU 55 -24.226 2.063 7.433 410 2HG GLU 55 HG1 GLU 55 -23.241 2.842 6.197 411 H LEU 56 HN LEU 56 -20.105 0.274 3.853 412 HA LEU 56 HA LEU 56 -18.964 2.743 4.811 413 1HB LEU 56 HB2 LEU 56 -17.837 0.583 3.038 414 2HB LEU 56 HB1 LEU 56 -16.934 1.983 3.582 415 HG LEU 56 HG LEU 56 -17.363 1.200 5.952 416 1HD1 LEU 56 HD11 LEU 56 -18.183 -1.333 4.540 417 2HD1 LEU 56 HD12 LEU 56 -19.250 -0.278 5.466 418 3HD1 LEU 56 HD13 LEU 56 -17.940 -1.138 6.276 419 1HD2 LEU 56 HD21 LEU 56 -15.428 -0.026 5.963 420 2HD2 LEU 56 HD22 LEU 56 -15.300 0.769 4.394 421 3HD2 LEU 56 HD23 LEU 56 -15.845 -0.906 4.493 422 H MET 57 HN MET 57 -18.927 4.590 3.843 423 HA MET 57 HA MET 57 -20.011 4.869 1.192 424 1HB MET 57 HB2 MET 57 -20.502 6.500 3.004 425 2HB MET 57 HB1 MET 57 -18.805 6.960 3.019 426 1HG MET 57 HG2 MET 57 -20.112 8.573 1.784 427 2HG MET 57 HG1 MET 57 -18.994 7.735 0.710 428 1HE MET 57 HE1 MET 57 -20.278 8.903 -1.052 429 2HE MET 57 HE2 MET 57 -21.880 9.350 -0.466 430 3HE MET 57 HE3 MET 57 -21.717 8.241 -1.828 431 H GLU 58 HN GLU 58 -18.909 5.778 -0.562 432 HA GLU 58 HA GLU 58 -16.385 4.745 -1.099 433 1HB GLU 58 HB2 GLU 58 -17.948 6.957 -2.412 434 2HB GLU 58 HB1 GLU 58 -16.383 6.437 -3.018 435 1HG GLU 58 HG2 GLU 58 -18.117 5.371 -4.278 436 2HG GLU 58 HG1 GLU 58 -17.282 4.162 -3.307 437 H SER 59 HN SER 59 -17.140 7.371 0.854 438 HA SER 59 HA SER 59 -14.812 8.970 0.312 439 1HB SER 59 HB2 SER 59 -16.711 9.039 2.670 440 2HB SER 59 HB1 SER 59 -15.505 10.266 2.283 441 HG SER 59 HG SER 59 -16.893 11.101 0.964 442 H GLU 60 HN GLU 60 -15.541 6.245 2.271 443 HA GLU 60 HA GLU 60 -13.396 6.573 4.149 444 1HB GLU 60 HB2 GLU 60 -15.532 5.295 4.582 445 2HB GLU 60 HB1 GLU 60 -14.943 4.062 3.479 446 1HG GLU 60 HG2 GLU 60 -14.491 3.313 5.672 447 2HG GLU 60 HG1 GLU 60 -12.951 3.803 4.968 448 H ILE 61 HN ILE 61 -13.725 5.480 0.954 449 HA ILE 61 HA ILE 61 -11.397 3.735 1.021 450 HB ILE 61 HB ILE 61 -12.987 4.568 -1.397 451 1HG1 ILE 61 HG12 ILE 61 -14.505 3.572 0.246 452 2HG1 ILE 61 HG11 ILE 61 -14.252 2.473 -1.104 453 1HG2 ILE 61 HG21 ILE 61 -11.339 3.463 -2.419 454 2HG2 ILE 61 HG22 ILE 61 -12.056 2.001 -1.741 455 3HG2 ILE 61 HG23 ILE 61 -10.729 2.803 -0.902 456 1HD1 ILE 61 HD11 ILE 61 -14.180 1.689 1.432 457 2HD1 ILE 61 HD12 ILE 61 -12.486 2.142 1.243 458 3HD1 ILE 61 HD13 ILE 61 -13.200 0.933 0.175 459 H LYS 62 HN LYS 62 -12.363 6.808 -0.517 460 HA LYS 62 HA LYS 62 -9.775 7.177 -1.691 461 1HB LYS 62 HB2 LYS 62 -10.610 9.269 -2.526 462 2HB LYS 62 HB1 LYS 62 -11.852 8.045 -2.726 463 1HG LYS 62 HG2 LYS 62 -13.096 9.800 -1.964 464 2HG LYS 62 HG1 LYS 62 -12.724 8.991 -0.443 465 1HD LYS 62 HD2 LYS 62 -12.379 11.366 -0.186 466 2HD LYS 62 HD1 LYS 62 -10.820 10.546 -0.130 467 1HE LYS 62 HE2 LYS 62 -10.453 11.121 -2.493 468 2HE LYS 62 HE1 LYS 62 -11.994 11.979 -2.511 469 1HZ LYS 62 HZ1 LYS 62 -11.154 13.514 -0.882 470 2HZ LYS 62 HZ2 LYS 62 -10.081 13.459 -2.188 471 3HZ LYS 62 HZ3 LYS 62 -9.701 12.656 -0.748 472 H ASP 63 HN ASP 63 -11.476 8.624 1.081 473 HA ASP 63 HA ASP 63 -9.464 10.478 1.742 474 1HB ASP 63 HB2 ASP 63 -11.729 10.637 2.660 475 2HB ASP 63 HB1 ASP 63 -11.490 9.135 3.547 476 H LEU 64 HN LEU 64 -9.826 7.091 2.331 477 HA LEU 64 HA LEU 64 -7.672 7.009 4.268 478 1HB LEU 64 HB2 LEU 64 -9.625 5.050 3.154 479 2HB LEU 64 HB1 LEU 64 -8.133 4.434 3.852 480 HG LEU 64 HG LEU 64 -9.996 4.429 5.462 481 1HD1 LEU 64 HD11 LEU 64 -7.606 6.161 5.959 482 2HD1 LEU 64 HD12 LEU 64 -7.935 4.522 6.523 483 3HD1 LEU 64 HD13 LEU 64 -8.805 5.888 7.223 484 1HD2 LEU 64 HD21 LEU 64 -10.095 7.308 4.709 485 2HD2 LEU 64 HD22 LEU 64 -10.500 6.849 6.363 486 3HD2 LEU 64 HD23 LEU 64 -11.410 6.174 5.012 487 H MET 65 HN MET 65 -8.156 6.573 0.868 488 HA MET 65 HA MET 65 -5.846 5.025 0.326 489 1HB MET 65 HB2 MET 65 -7.772 5.297 -1.234 490 2HB MET 65 HB1 MET 65 -7.275 6.960 -1.507 491 1HG MET 65 HG2 MET 65 -5.476 4.622 -2.058 492 2HG MET 65 HG1 MET 65 -6.603 5.260 -3.250 493 1HE MET 65 HE1 MET 65 -5.732 8.183 -4.515 494 2HE MET 65 HE2 MET 65 -5.605 8.982 -2.949 495 3HE MET 65 HE3 MET 65 -6.887 7.806 -3.237 496 H ASP 66 HN ASP 66 -6.480 8.528 0.250 497 HA ASP 66 HA ASP 66 -3.751 9.140 -0.440 498 1HB ASP 66 HB2 ASP 66 -4.411 11.454 -0.318 499 2HB ASP 66 HB1 ASP 66 -5.688 10.558 -1.135 500 H ALA 67 HN ALA 67 -5.508 8.623 2.470 501 HA ALA 67 HA ALA 67 -3.698 10.117 4.154 502 1HB ALA 67 HB1 ALA 67 -5.030 8.696 5.943 503 2HB ALA 67 HB2 ALA 67 -6.133 8.473 4.586 504 3HB ALA 67 HB3 ALA 67 -5.747 10.099 5.151 505 H ALA 68 HN ALA 68 -4.005 6.860 2.987 506 HA ALA 68 HA ALA 68 -2.266 5.685 4.944 507 1HB ALA 68 HB1 ALA 68 -3.949 4.320 3.879 508 2HB ALA 68 HB2 ALA 68 -2.347 3.701 3.475 509 3HB ALA 68 HB3 ALA 68 -3.252 4.644 2.291 510 H ASP 69 HN ASP 69 -1.913 6.337 1.450 511 HA ASP 69 HA ASP 69 0.957 5.965 1.635 512 1HB ASP 69 HB2 ASP 69 -0.131 5.064 -0.314 513 2HB ASP 69 HB1 ASP 69 -0.859 6.626 -0.690 514 H ILE 70 HN ILE 70 2.156 7.557 2.384 515 HA ILE 70 HA ILE 70 1.310 10.315 2.242 516 HB ILE 70 HB ILE 70 2.392 9.429 4.268 517 1HG1 ILE 70 HG12 ILE 70 4.025 11.270 4.586 518 2HG1 ILE 70 HG11 ILE 70 3.975 11.587 2.855 519 1HG2 ILE 70 HG21 ILE 70 5.061 9.370 3.846 520 2HG2 ILE 70 HG22 ILE 70 4.469 8.694 2.329 521 3HG2 ILE 70 HG23 ILE 70 4.026 7.943 3.862 522 1HD1 ILE 70 HD11 ILE 70 1.354 11.742 3.447 523 2HD1 ILE 70 HD12 ILE 70 2.455 13.119 3.461 524 3HD1 ILE 70 HD13 ILE 70 2.060 12.291 4.966 525 H ASP 71 HN ASP 71 3.281 8.196 0.424 526 HA ASP 71 HA ASP 71 5.170 9.991 -0.625 527 1HB ASP 71 HB2 ASP 71 5.281 7.502 -0.810 528 2HB ASP 71 HB1 ASP 71 3.998 7.574 -2.014 529 H LYS 72 HN LYS 72 1.876 10.084 -0.936 530 HA LYS 72 HA LYS 72 0.395 11.049 -2.375 531 1HB LYS 72 HB2 LYS 72 2.763 12.875 -2.790 532 2HB LYS 72 HB1 LYS 72 1.087 13.268 -3.152 533 1HG LYS 72 HG2 LYS 72 2.046 12.526 -0.405 534 2HG LYS 72 HG1 LYS 72 1.984 14.179 -0.998 535 1HD LYS 72 HD2 LYS 72 -0.428 13.942 -1.389 536 2HD LYS 72 HD1 LYS 72 -0.354 12.289 -0.776 537 1HE LYS 72 HE2 LYS 72 -1.163 13.858 0.926 538 2HE LYS 72 HE1 LYS 72 0.358 13.102 1.399 539 1HZ LYS 72 HZ1 LYS 72 0.351 15.721 0.045 540 2HZ LYS 72 HZ2 LYS 72 1.527 15.051 1.059 541 3HZ LYS 72 HZ3 LYS 72 0.073 15.621 1.712 542 H SER 73 HN SER 73 2.006 8.920 -3.531 543 HA SER 73 HA SER 73 2.304 9.819 -6.311 544 1HB SER 73 HB2 SER 73 3.462 7.660 -6.673 545 2HB SER 73 HB1 SER 73 4.221 8.618 -5.402 546 HG SER 73 HG SER 73 2.315 7.033 -4.360 547 H GLY 74 HN GLY 74 -0.107 8.704 -4.470 548 1HA GLY 74 HA2 GLY 74 -2.199 7.936 -5.108 549 2HA GLY 74 HA1 GLY 74 -1.587 7.728 -6.742 550 H THR 75 HN THR 75 0.699 6.165 -5.331 551 HA THR 75 HA THR 75 -0.777 3.621 -5.173 552 HB THR 75 HB THR 75 1.299 2.534 -5.932 553 HG1 THR 75 HG1 THR 75 3.084 3.682 -6.386 554 1HG2 THR 75 HG21 THR 75 0.273 4.747 -7.678 555 2HG2 THR 75 HG22 THR 75 -0.131 3.031 -7.730 556 3HG2 THR 75 HG23 THR 75 1.473 3.574 -8.222 557 H ILE 76 HN ILE 76 -0.690 2.527 -3.307 558 HA ILE 76 HA ILE 76 1.120 3.518 -1.228 559 HB ILE 76 HB ILE 76 -1.210 3.496 -0.587 560 1HG1 ILE 76 HG12 ILE 76 0.326 1.258 0.756 561 2HG1 ILE 76 HG11 ILE 76 0.453 2.970 1.145 562 1HG2 ILE 76 HG21 ILE 76 -2.251 1.118 -0.328 563 2HG2 ILE 76 HG22 ILE 76 -1.098 0.690 -1.591 564 3HG2 ILE 76 HG23 ILE 76 -2.302 1.943 -1.885 565 1HD1 ILE 76 HD11 ILE 76 -1.995 2.895 1.724 566 2HD1 ILE 76 HD12 ILE 76 -0.917 1.997 2.793 567 3HD1 ILE 76 HD13 ILE 76 -1.883 1.140 1.591 568 H ASP 77 HN ASP 77 2.576 2.257 -0.196 569 HA ASP 77 HA ASP 77 2.959 -0.468 -1.249 570 1HB ASP 77 HB2 ASP 77 5.037 1.471 -0.208 571 2HB ASP 77 HB1 ASP 77 5.362 -0.171 -0.754 572 H TYR 78 HN TYR 78 3.713 -2.073 0.207 573 HA TYR 78 HA TYR 78 2.408 -2.201 2.646 574 1HB TYR 78 HB2 TYR 78 3.365 -4.138 1.367 575 2HB TYR 78 HB1 TYR 78 4.957 -3.675 1.958 576 HD1 TYR 78 HD1 TYR 78 1.565 -4.159 3.458 577 HD2 TYR 78 HD2 TYR 78 5.729 -5.002 3.676 578 HE1 TYR 78 HE1 TYR 78 1.180 -5.498 5.483 579 HE2 TYR 78 HE2 TYR 78 5.356 -6.342 5.705 580 HH TYR 78 HH TYR 78 3.858 -7.157 7.126 581 H GLY 79 HN GLY 79 5.653 -1.050 1.916 582 1HA GLY 79 HA2 GLY 79 6.543 -0.894 4.609 583 2HA GLY 79 HA1 GLY 79 7.276 -0.094 3.230 584 H GLU 80 HN GLU 80 4.622 1.258 2.653 585 HA GLU 80 HA GLU 80 5.097 3.504 4.437 586 1HB GLU 80 HB2 GLU 80 3.242 3.257 2.063 587 2HB GLU 80 HB1 GLU 80 3.583 4.740 2.944 588 1HG GLU 80 HG2 GLU 80 5.951 4.548 2.296 589 2HG GLU 80 HG1 GLU 80 5.551 3.113 1.351 590 H PHE 81 HN PHE 81 2.394 1.407 3.503 591 HA PHE 81 HA PHE 81 0.337 2.469 4.943 592 1HB PHE 81 HB2 PHE 81 0.099 0.520 3.475 593 2HB PHE 81 HB1 PHE 81 0.976 -0.472 4.635 594 HD1 PHE 81 HD1 PHE 81 -0.439 -1.985 5.605 595 HD2 PHE 81 HD2 PHE 81 -1.803 1.994 4.974 596 HE1 PHE 81 HE1 PHE 81 -2.554 -2.536 6.738 597 HE2 PHE 81 HE2 PHE 81 -3.921 1.454 6.107 598 HZ PHE 81 HZ PHE 81 -4.298 -0.814 6.991 599 H ILE 82 HN ILE 82 2.962 0.451 6.180 600 HA ILE 82 HA ILE 82 1.914 0.077 8.776 601 HB ILE 82 HB ILE 82 4.793 0.063 7.858 602 1HG1 ILE 82 HG12 ILE 82 2.834 -2.200 8.311 603 2HG1 ILE 82 HG11 ILE 82 3.355 -1.602 6.740 604 1HG2 ILE 82 HG21 ILE 82 3.711 0.003 10.484 605 2HG2 ILE 82 HG22 ILE 82 5.392 -0.175 9.982 606 3HG2 ILE 82 HG23 ILE 82 4.357 -1.597 10.118 607 1HD1 ILE 82 HD11 ILE 82 4.979 -3.101 6.792 608 2HD1 ILE 82 HD12 ILE 82 4.590 -3.535 8.457 609 3HD1 ILE 82 HD13 ILE 82 5.702 -2.206 8.129 610 H ALA 83 HN ALA 83 4.063 2.538 7.407 611 HA ALA 83 HA ALA 83 4.778 3.857 9.747 612 1HB ALA 83 HB1 ALA 83 5.964 4.557 7.898 613 2HB ALA 83 HB2 ALA 83 4.866 5.913 8.151 614 3HB ALA 83 HB3 ALA 83 4.519 4.719 6.900 615 H ALA 84 HN ALA 84 1.774 3.863 8.010 616 HA ALA 84 HA ALA 84 0.746 6.219 9.328 617 1HB ALA 84 HB1 ALA 84 -1.203 5.928 8.042 618 2HB ALA 84 HB2 ALA 84 -0.867 4.218 7.770 619 3HB ALA 84 HB3 ALA 84 0.127 5.447 6.988 620 H THR 85 HN THR 85 -0.040 2.739 9.381 621 HA THR 85 HA THR 85 -1.401 3.158 11.953 622 HB THR 85 HB THR 85 -2.461 0.965 11.542 623 HG1 THR 85 HG1 THR 85 -0.544 0.796 9.671 624 1HG2 THR 85 HG21 THR 85 -3.859 2.614 10.751 625 2HG2 THR 85 HG22 THR 85 -3.644 1.588 9.333 626 3HG2 THR 85 HG23 THR 85 -2.742 3.096 9.474 627 H VAL 86 HN VAL 86 -0.117 2.810 13.644 628 HA VAL 86 HA VAL 86 1.431 0.332 13.739 629 HB VAL 86 HB VAL 86 3.044 2.010 13.003 630 1HG1 VAL 86 HG11 VAL 86 2.686 3.503 15.572 631 2HG1 VAL 86 HG12 VAL 86 1.709 3.899 14.158 632 3HG1 VAL 86 HG13 VAL 86 3.467 4.022 14.078 633 1HG2 VAL 86 HG21 VAL 86 4.733 1.450 14.484 634 2HG2 VAL 86 HG22 VAL 86 3.538 0.188 14.784 635 3HG2 VAL 86 HG23 VAL 86 3.675 1.555 15.891 636 H HIS 87 HN HIS 87 -0.044 3.053 15.372 637 HA HIS 87 HA HIS 87 -0.825 3.356 17.486 638 1HB HIS 87 HB2 HIS 87 -0.862 0.330 17.507 639 2HB HIS 87 HB1 HIS 87 -1.704 1.371 18.651 640 HD1 HIS 87 HD1 HIS 87 -1.607 1.097 14.846 641 HD2 HIS 87 HD2 HIS 87 -4.299 1.573 17.974 642 HE1 HIS 87 HE1 HIS 87 -3.876 1.220 13.768 643 HE2 HIS 87 HE2 HIS 87 -5.480 1.596 15.673
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