NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16619 | 2ahq | 6816 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H THR 1 1H THR 1 7.063 11.748 16.708 2 HA THR 1 HA THR 1 7.426 13.817 14.907 3 HB THR 1 HB THR 1 9.104 12.746 16.511 4 HG1 THR 1 HG1 THR 1 9.714 12.876 13.640 5 1HG2 THR 1 1HG2 THR 1 8.549 10.407 14.993 6 2HG2 THR 1 2HG2 THR 1 10.154 10.949 14.446 7 3HG2 THR 1 3HG2 THR 1 9.866 10.616 16.171 8 H TYR 2 H TYR 2 5.325 12.646 13.695 9 HA TYR 2 HA TYR 2 6.239 12.323 11.087 10 1HB TYR 2 1HB TYR 2 5.703 9.855 10.869 11 2HB TYR 2 2HB TYR 2 7.029 10.114 11.985 12 HD1 TYR 2 HD1 TYR 2 3.746 8.720 11.553 13 HD2 TYR 2 HD2 TYR 2 6.511 10.123 14.501 14 HE1 TYR 2 HE1 TYR 2 2.489 7.438 13.353 15 HE2 TYR 2 HE2 TYR 2 5.245 8.836 16.291 16 HH TYR 2 HH TYR 2 3.699 7.346 16.678 17 H SER 3 H SER 3 3.732 11.361 13.505 18 HA SER 3 HA SER 3 1.646 11.251 11.693 19 1HB SER 3 1HB SER 3 2.008 11.239 14.602 20 2HB SER 3 2HB SER 3 0.548 12.098 14.155 21 HG SER 3 HG SER 3 1.265 9.410 13.341 22 H LEU 4 H LEU 4 -0.018 12.805 11.150 23 HA LEU 4 HA LEU 4 -0.098 15.393 12.177 24 1HB LEU 4 1HB LEU 4 2.135 15.138 10.659 25 2HB LEU 4 2HB LEU 4 0.980 15.637 9.438 26 HG LEU 4 HG LEU 4 0.489 17.424 11.495 27 1HD1 LEU 4 1HD1 LEU 4 3.343 17.870 11.370 28 2HD1 LEU 4 2HD1 LEU 4 2.264 17.770 12.782 29 3HD1 LEU 4 3HD1 LEU 4 2.979 16.288 12.102 30 1HD2 LEU 4 1HD2 LEU 4 2.142 17.594 8.977 31 2HD2 LEU 4 2HD2 LEU 4 0.481 18.162 9.272 32 3HD2 LEU 4 3HD2 LEU 4 1.856 19.009 10.019 33 H ARG 5 H ARG 5 -1.664 16.767 10.921 34 HA ARG 5 HA ARG 5 -3.594 16.998 9.979 35 1HB ARG 5 1HB ARG 5 -2.627 14.840 8.035 36 2HB ARG 5 2HB ARG 5 -3.986 15.908 7.744 37 1HG ARG 5 1HG ARG 5 -2.500 17.886 7.835 38 2HG ARG 5 2HG ARG 5 -1.131 16.872 8.247 39 1HD ARG 5 1HD ARG 5 -0.826 17.085 5.935 40 2HD ARG 5 2HD ARG 5 -1.742 15.593 6.000 41 HE ARG 5 HE ARG 5 -2.711 18.210 5.048 42 1HH1 ARG 5 1HH1 ARG 5 -3.581 14.958 6.072 43 2HH1 ARG 5 2HH1 ARG 5 -5.123 14.985 5.284 44 1HH2 ARG 5 1HH2 ARG 5 -4.746 18.246 4.009 45 2HH2 ARG 5 2HH2 ARG 5 -5.790 16.868 4.103 46 H THR 6 H THR 6 -5.738 15.752 9.234 47 HA THR 6 HA THR 6 -6.216 13.756 11.270 48 HB THR 6 HB THR 6 -8.583 14.097 10.523 49 HG1 THR 6 HG1 THR 6 -8.798 15.631 8.702 50 1HG2 THR 6 1HG2 THR 6 -6.804 16.495 11.029 51 2HG2 THR 6 2HG2 THR 6 -8.492 16.775 10.539 52 3HG2 THR 6 3HG2 THR 6 -8.137 15.859 12.023 53 H PHE 7 H PHE 7 -8.062 12.057 10.241 54 HA PHE 7 HA PHE 7 -6.632 10.765 8.029 55 1HB PHE 7 1HB PHE 7 -7.726 9.729 10.697 56 2HB PHE 7 2HB PHE 7 -7.493 8.625 9.355 57 HD1 PHE 7 HD1 PHE 7 -5.966 10.150 12.153 58 HD2 PHE 7 HD2 PHE 7 -5.110 8.591 8.300 59 HE1 PHE 7 HE1 PHE 7 -3.557 9.870 12.801 60 HE2 PHE 7 HE2 PHE 7 -2.702 8.312 8.948 61 HZ PHE 7 HZ PHE 7 -1.954 8.954 11.191 62 H PHE 8 H PHE 8 -8.017 10.986 6.315 63 HA PHE 8 HA PHE 8 -10.432 9.582 6.319 64 1HB PHE 8 1HB PHE 8 -10.863 11.808 7.696 65 2HB PHE 8 2HB PHE 8 -10.701 12.632 6.158 66 HD1 PHE 8 HD1 PHE 8 -12.676 10.017 7.902 67 HD2 PHE 8 HD2 PHE 8 -12.524 12.788 4.692 68 HE1 PHE 8 HE1 PHE 8 -15.100 9.586 7.415 69 HE2 PHE 8 HE2 PHE 8 -14.948 12.357 4.205 70 HZ PHE 8 HZ PHE 8 -16.207 10.761 5.572 71 H VAL 9 H VAL 9 -9.103 8.839 4.464 72 HA VAL 9 HA VAL 9 -9.736 10.442 2.127 73 HB VAL 9 HB VAL 9 -7.510 11.186 2.810 74 1HG1 VAL 9 1HG1 VAL 9 -7.055 8.281 3.091 75 2HG1 VAL 9 2HG1 VAL 9 -5.740 9.167 2.282 76 3HG1 VAL 9 3HG1 VAL 9 -6.272 9.654 3.910 77 1HG2 VAL 9 1HG2 VAL 9 -7.130 11.446 0.630 78 2HG2 VAL 9 2HG2 VAL 9 -6.522 9.776 0.528 79 3HG2 VAL 9 3HG2 VAL 9 -8.251 10.110 0.270 80 H ARG 10 H ARG 10 -11.304 8.448 2.534 81 HA ARG 10 HA ARG 10 -10.171 5.947 1.874 82 1HB ARG 10 1HB ARG 10 -13.061 6.930 2.039 83 2HB ARG 10 2HB ARG 10 -12.642 5.260 1.713 84 1HG ARG 10 1HG ARG 10 -11.332 6.530 4.100 85 2HG ARG 10 2HG ARG 10 -13.051 6.217 4.226 86 1HD ARG 10 1HD ARG 10 -11.031 4.096 3.356 87 2HD ARG 10 2HD ARG 10 -11.535 4.312 5.021 88 HE ARG 10 HE ARG 10 -13.098 3.100 2.876 89 1HH1 ARG 10 1HH1 ARG 10 -13.320 4.818 5.939 90 2HH1 ARG 10 2HH1 ARG 10 -14.892 4.197 6.320 91 1HH2 ARG 10 1HH2 ARG 10 -15.172 2.280 3.378 92 2HH2 ARG 10 2HH2 ARG 10 -15.952 2.743 4.854 93 H GLU 11 H GLU 11 -12.660 8.045 0.223 94 HA GLU 11 HA GLU 11 -12.613 6.660 -2.149 95 1HB GLU 11 1HB GLU 11 -13.498 9.385 -1.264 96 2HB GLU 11 2HB GLU 11 -13.338 9.137 -2.992 97 1HG GLU 11 1HG GLU 11 -14.663 6.833 -2.300 98 2HG GLU 11 2HG GLU 11 -15.279 7.919 -1.070 99 H SER 12 H SER 12 -10.596 6.181 -3.041 100 HA SER 12 HA SER 12 -8.733 6.477 -4.112 101 1HB SER 12 1HB SER 12 -10.245 8.967 -4.816 102 2HB SER 12 2HB SER 12 -8.535 8.965 -5.199 103 HG SER 12 HG SER 12 -10.457 7.893 -6.657 104 H ALA 13 H ALA 13 -6.535 7.480 -3.992 105 HA ALA 13 HA ALA 13 -6.043 8.452 -1.349 106 1HB ALA 13 1HB ALA 13 -3.641 8.576 -2.497 107 2HB ALA 13 2HB ALA 13 -4.373 7.016 -2.051 108 3HB ALA 13 3HB ALA 13 -4.443 7.583 -3.737 109 H GLU 14 H GLU 14 -4.705 10.446 -0.945 110 HA GLU 14 HA GLU 14 -5.921 12.598 -2.361 111 1HB GLU 14 1HB GLU 14 -4.832 12.192 0.226 112 2HB GLU 14 2HB GLU 14 -3.799 13.396 -0.519 113 1HG GLU 14 1HG GLU 14 -5.897 14.685 -1.181 114 2HG GLU 14 2HG GLU 14 -6.838 13.533 -0.253 115 H GLY 15 H GLY 15 -4.520 11.253 -4.266 116 1HA GLY 15 1HA GLY 15 -2.900 11.420 -5.818 117 2HA GLY 15 2HA GLY 15 -2.898 13.133 -5.448 118 H LEU 16 H LEU 16 -2.165 10.962 -2.787 119 HA LEU 16 HA LEU 16 0.152 12.085 -2.043 120 1HB LEU 16 1HB LEU 16 0.663 10.023 -0.878 121 2HB LEU 16 2HB LEU 16 -1.031 10.449 -0.731 122 HG LEU 16 HG LEU 16 -1.645 8.753 -2.377 123 1HD1 LEU 16 1HD1 LEU 16 1.306 8.582 -2.753 124 2HD1 LEU 16 2HD1 LEU 16 0.362 7.078 -2.885 125 3HD1 LEU 16 3HD1 LEU 16 -0.017 8.462 -3.938 126 1HD2 LEU 16 1HD2 LEU 16 -1.813 7.321 -0.693 127 2HD2 LEU 16 2HD2 LEU 16 -0.081 6.930 -0.806 128 3HD2 LEU 16 3HD2 LEU 16 -0.623 8.282 0.217 129 H THR 17 H THR 17 2.457 11.337 -2.195 130 HA THR 17 HA THR 17 3.076 10.879 -4.997 131 HB THR 17 HB THR 17 5.444 11.372 -4.004 132 HG1 THR 17 HG1 THR 17 3.925 12.524 -1.858 133 1HG2 THR 17 1HG2 THR 17 3.122 13.347 -3.809 134 2HG2 THR 17 2HG2 THR 17 4.798 13.824 -3.447 135 3HG2 THR 17 3HG2 THR 17 4.368 13.252 -5.077 136 H GLN 18 H GLN 18 4.690 9.299 -5.683 137 HA GLN 18 HA GLN 18 4.006 6.782 -4.885 138 1HB GLN 18 1HB GLN 18 6.128 8.014 -6.554 139 2HB GLN 18 2HB GLN 18 6.551 6.437 -5.919 140 1HG GLN 18 1HG GLN 18 5.436 6.144 -8.077 141 2HG GLN 18 2HG GLN 18 4.399 5.508 -6.815 142 1HE2 GLN 18 1HE2 GLN 18 4.961 8.120 -9.063 143 2HE2 GLN 18 2HE2 GLN 18 3.377 8.820 -9.033 144 H GLY 19 H GLY 19 6.440 9.020 -3.577 145 1HA GLY 19 1HA GLY 19 7.909 7.091 -2.086 146 2HA GLY 19 2HA GLY 19 7.925 8.833 -1.889 147 H GLU 20 H GLU 20 5.040 9.180 -1.456 148 HA GLU 20 HA GLU 20 5.024 8.735 1.297 149 1HB GLU 20 1HB GLU 20 3.429 10.131 -0.667 150 2HB GLU 20 2HB GLU 20 2.351 9.208 0.361 151 1HG GLU 20 1HG GLU 20 4.574 10.907 1.554 152 2HG GLU 20 2HG GLU 20 3.031 11.617 1.123 153 H LEU 21 H LEU 21 3.579 7.018 -1.504 154 HA LEU 21 HA LEU 21 1.905 5.337 -0.010 155 1HB LEU 21 1HB LEU 21 1.995 5.897 -2.540 156 2HB LEU 21 2HB LEU 21 3.156 4.588 -2.635 157 HG LEU 21 HG LEU 21 0.995 3.745 -3.225 158 1HD1 LEU 21 1HD1 LEU 21 1.212 1.806 -2.121 159 2HD1 LEU 21 2HD1 LEU 21 2.613 2.591 -1.352 160 3HD1 LEU 21 3HD1 LEU 21 1.037 2.575 -0.525 161 1HD2 LEU 21 1HD2 LEU 21 -0.487 5.340 -2.273 162 2HD2 LEU 21 2HD2 LEU 21 -0.891 3.761 -1.557 163 3HD2 LEU 21 3HD2 LEU 21 0.045 4.950 -0.619 164 H MET 22 H MET 22 5.354 5.154 -0.991 165 HA MET 22 HA MET 22 5.821 2.541 -0.400 166 1HB MET 22 1HB MET 22 7.547 5.045 -0.012 167 2HB MET 22 2HB MET 22 8.199 3.426 0.141 168 1HG MET 22 1HG MET 22 6.832 3.304 -2.299 169 2HG MET 22 2HG MET 22 7.476 4.934 -2.302 170 1HE MET 22 1HE MET 22 9.014 0.930 -2.250 171 2HE MET 22 2HE MET 22 10.022 1.517 -0.906 172 3HE MET 22 3HE MET 22 8.251 1.671 -0.822 173 H LYS 23 H LYS 23 6.401 5.362 1.836 174 HA LYS 23 HA LYS 23 6.949 3.792 4.063 175 1HB LYS 23 1HB LYS 23 6.261 6.643 3.538 176 2HB LYS 23 2HB LYS 23 6.059 6.073 5.182 177 1HG LYS 23 1HG LYS 23 8.309 6.778 5.168 178 2HG LYS 23 2HG LYS 23 8.457 5.050 4.912 179 1HD LYS 23 1HD LYS 23 8.104 6.532 2.380 180 2HD LYS 23 2HD LYS 23 9.519 7.061 3.267 181 1HE LYS 23 1HE LYS 23 9.122 4.095 3.118 182 2HE LYS 23 2HE LYS 23 9.498 4.885 1.600 183 1HZ LYS 23 1HZ LYS 23 11.196 4.367 3.766 184 2HZ LYS 23 2HZ LYS 23 11.578 4.914 2.275 185 3HZ LYS 23 3HZ LYS 23 11.190 5.971 3.458 186 H LEU 24 H LEU 24 3.916 4.692 2.492 187 HA LEU 24 HA LEU 24 2.244 4.222 4.711 188 1HB LEU 24 1HB LEU 24 1.984 4.744 1.837 189 2HB LEU 24 2HB LEU 24 0.716 3.722 2.484 190 HG LEU 24 HG LEU 24 1.414 6.278 3.900 191 1HD1 LEU 24 1HD1 LEU 24 -0.668 6.324 1.747 192 2HD1 LEU 24 2HD1 LEU 24 0.263 7.658 2.470 193 3HD1 LEU 24 3HD1 LEU 24 1.044 6.553 1.313 194 1HD2 LEU 24 1HD2 LEU 24 -1.067 6.202 4.361 195 2HD2 LEU 24 2HD2 LEU 24 -1.074 4.583 3.622 196 3HD2 LEU 24 3HD2 LEU 24 -0.103 4.890 5.081 197 H ILE 25 H ILE 25 3.475 2.159 2.018 198 HA ILE 25 HA ILE 25 1.974 -0.102 2.777 199 HB ILE 25 HB ILE 25 4.289 0.459 0.976 200 1HG1 ILE 25 1HG1 ILE 25 1.548 -0.762 0.538 201 2HG1 ILE 25 2HG1 ILE 25 1.982 0.908 0.237 202 1HG2 ILE 25 1HG2 ILE 25 5.175 -1.557 1.355 203 2HG2 ILE 25 2HG2 ILE 25 3.753 -2.116 2.268 204 3HG2 ILE 25 3HG2 ILE 25 3.756 -2.194 0.490 205 1HD1 ILE 25 1HD1 ILE 25 2.949 0.403 -1.757 206 2HD1 ILE 25 2HD1 ILE 25 3.864 -0.952 -1.052 207 3HD1 ILE 25 3HD1 ILE 25 2.187 -1.198 -1.594 208 H LYS 26 H LYS 26 5.309 1.060 3.526 209 HA LYS 26 HA LYS 26 6.034 -1.221 4.992 210 1HB LYS 26 1HB LYS 26 7.479 0.677 3.972 211 2HB LYS 26 2HB LYS 26 7.150 1.540 5.461 212 1HG LYS 26 1HG LYS 26 7.881 -1.188 6.120 213 2HG LYS 26 2HG LYS 26 9.078 -0.542 5.014 214 1HD LYS 26 1HD LYS 26 8.302 1.407 7.096 215 2HD LYS 26 2HD LYS 26 8.961 -0.068 7.775 216 1HE LYS 26 1HE LYS 26 10.805 0.285 5.841 217 2HE LYS 26 2HE LYS 26 10.290 1.955 5.976 218 1HZ LYS 26 1HZ LYS 26 12.130 1.079 7.494 219 2HZ LYS 26 2HZ LYS 26 10.993 2.060 8.136 220 3HZ LYS 26 3HZ LYS 26 10.919 0.449 8.390 221 H GLU 27 H GLU 27 4.384 1.854 5.842 222 HA GLU 27 HA GLU 27 4.516 1.571 8.570 223 1HB GLU 27 1HB GLU 27 2.967 3.139 6.621 224 2HB GLU 27 2HB GLU 27 2.036 2.788 8.064 225 1HG GLU 27 1HG GLU 27 3.267 4.225 9.330 226 2HG GLU 27 2HG GLU 27 4.782 3.558 8.755 227 H ILE 28 H ILE 28 2.312 0.115 6.152 228 HA ILE 28 HA ILE 28 0.459 -0.879 8.035 229 HB ILE 28 HB ILE 28 1.034 -1.195 5.147 230 1HG1 ILE 28 1HG1 ILE 28 -1.703 -1.088 5.590 231 2HG1 ILE 28 2HG1 ILE 28 -1.054 -0.126 6.904 232 1HG2 ILE 28 1HG2 ILE 28 -0.421 -3.279 6.777 233 2HG2 ILE 28 2HG2 ILE 28 -0.743 -3.018 5.046 234 3HG2 ILE 28 3HG2 ILE 28 0.883 -3.502 5.586 235 1HD1 ILE 28 1HD1 ILE 28 0.170 0.341 4.209 236 2HD1 ILE 28 2HD1 ILE 28 -1.509 0.890 4.431 237 3HD1 ILE 28 3HD1 ILE 28 -0.223 1.505 5.497 238 H VAL 29 H VAL 29 3.654 -1.877 6.942 239 HA VAL 29 HA VAL 29 3.280 -4.533 8.069 240 HB VAL 29 HB VAL 29 5.861 -3.514 6.960 241 1HG1 VAL 29 1HG1 VAL 29 4.994 -5.965 7.865 242 2HG1 VAL 29 2HG1 VAL 29 4.786 -6.116 6.103 243 3HG1 VAL 29 3HG1 VAL 29 6.378 -5.696 6.779 244 1HG2 VAL 29 1HG2 VAL 29 4.633 -4.533 4.725 245 2HG2 VAL 29 2HG2 VAL 29 3.311 -3.618 5.488 246 3HG2 VAL 29 3HG2 VAL 29 4.840 -2.802 5.084 247 H GLU 30 H GLU 30 3.505 -1.659 9.449 248 HA GLU 30 HA GLU 30 5.863 -1.873 10.962 249 1HB GLU 30 1HB GLU 30 4.379 0.213 10.457 250 2HB GLU 30 2HB GLU 30 3.387 -0.325 11.798 251 1HG GLU 30 1HG GLU 30 6.394 -0.033 12.128 252 2HG GLU 30 2HG GLU 30 5.346 1.365 12.266 253 H ASN 31 H ASN 31 2.591 -3.187 11.225 254 HA ASN 31 HA ASN 31 3.462 -4.529 13.644 255 1HB ASN 31 1HB ASN 31 1.008 -2.811 13.266 256 2HB ASN 31 2HB ASN 31 0.811 -4.273 14.211 257 1HD2 ASN 31 1HD2 ASN 31 2.676 -1.301 13.874 258 2HD2 ASN 31 2HD2 ASN 31 3.140 -1.124 15.534 259 H GLU 32 H GLU 32 3.639 -5.713 11.164 260 HA GLU 32 HA GLU 32 1.294 -6.810 10.180 261 1HB GLU 32 1HB GLU 32 2.731 -8.242 8.859 262 2HB GLU 32 2HB GLU 32 3.506 -6.674 8.980 263 1HG GLU 32 1HG GLU 32 5.294 -7.521 10.117 264 2HG GLU 32 2HG GLU 32 4.274 -8.437 11.210 265 H ASP 33 H ASP 33 2.316 -9.677 10.088 266 HA ASP 33 HA ASP 33 2.188 -10.502 12.815 267 1HB ASP 33 1HB ASP 33 -0.247 -10.147 11.662 268 2HB ASP 33 2HB ASP 33 0.093 -11.757 11.059 269 H LYS 34 H LYS 34 2.643 -12.892 12.966 270 HA LYS 34 HA LYS 34 4.300 -13.742 10.793 271 1HB LYS 34 1HB LYS 34 5.189 -14.210 12.899 272 2HB LYS 34 2HB LYS 34 3.659 -14.764 13.548 273 1HG LYS 34 1HG LYS 34 3.950 -16.894 12.759 274 2HG LYS 34 2HG LYS 34 4.548 -16.343 11.207 275 1HD LYS 34 1HD LYS 34 6.596 -15.625 13.005 276 2HD LYS 34 2HD LYS 34 6.054 -17.184 13.593 277 1HE LYS 34 1HE LYS 34 7.779 -17.638 11.971 278 2HE LYS 34 2HE LYS 34 6.262 -18.071 11.206 279 1HZ LYS 34 1HZ LYS 34 7.645 -16.740 9.772 280 2HZ LYS 34 2HZ LYS 34 6.261 -15.941 10.112 281 3HZ LYS 34 3HZ LYS 34 7.656 -15.508 10.845 282 H ARG 35 H ARG 35 1.209 -14.832 12.332 283 HA ARG 35 HA ARG 35 0.926 -16.808 10.287 284 1HB ARG 35 1HB ARG 35 -0.471 -16.079 12.838 285 2HB ARG 35 2HB ARG 35 -1.481 -16.825 11.615 286 1HG ARG 35 1HG ARG 35 1.204 -18.072 12.238 287 2HG ARG 35 2HG ARG 35 -0.118 -18.318 13.362 288 1HD ARG 35 1HD ARG 35 -1.468 -19.429 11.723 289 2HD ARG 35 2HD ARG 35 -0.512 -18.817 10.388 290 HE ARG 35 HE ARG 35 1.210 -20.360 12.062 291 1HH1 ARG 35 1HH1 ARG 35 -1.531 -20.815 9.903 292 2HH1 ARG 35 2HH1 ARG 35 -1.092 -22.436 9.479 293 1HH2 ARG 35 1HH2 ARG 35 1.791 -22.499 11.502 294 2HH2 ARG 35 2HH2 ARG 35 0.811 -23.400 10.395 295 H LYS 36 H LYS 36 0.668 -13.570 10.175 296 HA LYS 36 HA LYS 36 -1.123 -13.587 7.991 297 1HB LYS 36 1HB LYS 36 -2.421 -13.415 10.452 298 2HB LYS 36 2HB LYS 36 -2.311 -11.748 9.925 299 1HG LYS 36 1HG LYS 36 -3.369 -12.288 7.778 300 2HG LYS 36 2HG LYS 36 -3.317 -14.004 8.131 301 1HD LYS 36 1HD LYS 36 -5.569 -13.257 8.602 302 2HD LYS 36 2HD LYS 36 -4.806 -13.578 10.146 303 1HE LYS 36 1HE LYS 36 -5.397 -11.470 10.759 304 2HE LYS 36 2HE LYS 36 -4.156 -10.889 9.665 305 1HZ LYS 36 1HZ LYS 36 -6.648 -10.221 9.397 306 2HZ LYS 36 2HZ LYS 36 -5.677 -10.396 8.096 307 3HZ LYS 36 3HZ LYS 36 -6.714 -11.589 8.508 308 HA PRO 37 HA PRO 37 2.018 -10.309 8.342 309 1HB PRO 37 1HB PRO 37 3.665 -11.100 6.310 310 2HB PRO 37 2HB PRO 37 3.953 -11.507 7.990 311 1HG PRO 37 1HG PRO 37 2.938 -13.231 5.813 312 2HG PRO 37 2HG PRO 37 3.626 -13.700 7.355 313 1HD PRO 37 1HD PRO 37 0.848 -13.708 6.642 314 2HD PRO 37 2HD PRO 37 1.526 -14.066 8.217 315 H TYR 38 H TYR 38 2.428 -8.454 7.003 316 HA TYR 38 HA TYR 38 0.229 -8.173 5.146 317 1HB TYR 38 1HB TYR 38 2.459 -6.459 6.373 318 2HB TYR 38 2HB TYR 38 1.453 -5.803 5.097 319 HD1 TYR 38 HD1 TYR 38 1.871 -5.767 8.498 320 HD2 TYR 38 HD2 TYR 38 -1.225 -6.376 5.608 321 HE1 TYR 38 HE1 TYR 38 0.124 -5.088 10.216 322 HE2 TYR 38 HE2 TYR 38 -2.961 -5.695 7.336 323 HH TYR 38 HH TYR 38 -2.635 -5.782 10.347 324 H SER 39 H SER 39 1.584 -10.058 3.912 325 HA SER 39 HA SER 39 3.824 -9.218 2.487 326 1HB SER 39 1HB SER 39 1.865 -11.332 1.527 327 2HB SER 39 2HB SER 39 3.597 -11.271 1.268 328 HG SER 39 HG SER 39 3.243 -11.247 3.935 329 H ASP 40 H ASP 40 3.789 -9.229 -0.075 330 HA ASP 40 HA ASP 40 2.630 -7.013 -0.963 331 1HB ASP 40 1HB ASP 40 2.646 -8.224 -3.291 332 2HB ASP 40 2HB ASP 40 4.163 -8.005 -2.441 333 H GLN 41 H GLN 41 1.206 -10.298 -0.704 334 HA GLN 41 HA GLN 41 -1.053 -9.800 -2.252 335 1HB GLN 41 1HB GLN 41 -1.023 -12.045 -1.942 336 2HB GLN 41 2HB GLN 41 -0.033 -11.914 -0.502 337 1HG GLN 41 1HG GLN 41 -2.148 -12.896 0.163 338 2HG GLN 41 2HG GLN 41 -2.103 -11.268 0.808 339 1HE2 GLN 41 1HE2 GLN 41 -4.460 -11.809 0.873 340 2HE2 GLN 41 2HE2 GLN 41 -5.437 -11.369 -0.488 341 H GLU 42 H GLU 42 -0.439 -9.597 1.313 342 HA GLU 42 HA GLU 42 -3.034 -8.918 1.988 343 1HB GLU 42 1HB GLU 42 -0.714 -9.460 3.361 344 2HB GLU 42 2HB GLU 42 -0.850 -7.735 3.636 345 1HG GLU 42 1HG GLU 42 -2.018 -9.094 5.396 346 2HG GLU 42 2HG GLU 42 -3.095 -7.985 4.571 347 H ILE 43 H ILE 43 -0.163 -6.677 2.018 348 HA ILE 43 HA ILE 43 -1.472 -4.336 2.224 349 HB ILE 43 HB ILE 43 1.103 -5.249 1.240 350 1HG1 ILE 43 1HG1 ILE 43 0.761 -2.559 2.436 351 2HG1 ILE 43 2HG1 ILE 43 0.163 -3.892 3.403 352 1HG2 ILE 43 1HG2 ILE 43 0.375 -4.098 -0.813 353 2HG2 ILE 43 2HG2 ILE 43 0.074 -2.621 0.134 354 3HG2 ILE 43 3HG2 ILE 43 1.727 -3.265 -0.010 355 1HD1 ILE 43 1HD1 ILE 43 2.290 -4.934 3.531 356 2HD1 ILE 43 2HD1 ILE 43 2.910 -4.043 2.120 357 3HD1 ILE 43 3HD1 ILE 43 2.667 -3.200 3.669 358 H ALA 44 H ALA 44 -0.907 -6.216 -0.810 359 HA ALA 44 HA ALA 44 -2.018 -4.364 -2.552 360 1HB ALA 44 1HB ALA 44 -1.832 -7.399 -2.618 361 2HB ALA 44 2HB ALA 44 -2.358 -6.412 -4.002 362 3HB ALA 44 3HB ALA 44 -0.712 -6.226 -3.351 363 H ASN 45 H ASN 45 -3.510 -6.977 -0.564 364 HA ASN 45 HA ASN 45 -6.038 -6.735 -1.670 365 1HB ASN 45 1HB ASN 45 -4.847 -7.881 0.843 366 2HB ASN 45 2HB ASN 45 -6.572 -7.572 0.891 367 1HD2 ASN 45 1HD2 ASN 45 -4.169 -8.802 -1.441 368 2HD2 ASN 45 2HD2 ASN 45 -5.058 -10.196 -1.956 369 H ILE 46 H ILE 46 -4.316 -5.101 1.041 370 HA ILE 46 HA ILE 46 -6.409 -3.853 2.291 371 HB ILE 46 HB ILE 46 -3.512 -3.289 1.918 372 1HG1 ILE 46 1HG1 ILE 46 -5.320 -3.781 4.299 373 2HG1 ILE 46 2HG1 ILE 46 -4.185 -4.908 3.583 374 1HG2 ILE 46 1HG2 ILE 46 -5.533 -1.232 2.548 375 2HG2 ILE 46 2HG2 ILE 46 -4.169 -1.334 3.688 376 3HG2 ILE 46 3HG2 ILE 46 -3.863 -1.070 1.954 377 1HD1 ILE 46 1HD1 ILE 46 -2.626 -2.618 4.100 378 2HD1 ILE 46 2HD1 ILE 46 -3.694 -2.765 5.517 379 3HD1 ILE 46 3HD1 ILE 46 -2.643 -4.124 5.049 380 H LEU 47 H LEU 47 -4.626 -2.888 -0.692 381 HA LEU 47 HA LEU 47 -5.735 -0.401 -1.040 382 1HB LEU 47 1HB LEU 47 -4.710 -0.439 -3.026 383 2HB LEU 47 2HB LEU 47 -3.948 -1.867 -2.354 384 HG LEU 47 HG LEU 47 -6.045 -3.069 -3.501 385 1HD1 LEU 47 1HD1 LEU 47 -7.074 -0.996 -4.290 386 2HD1 LEU 47 2HD1 LEU 47 -5.610 -0.617 -5.229 387 3HD1 LEU 47 3HD1 LEU 47 -6.593 -2.039 -5.650 388 1HD2 LEU 47 1HD2 LEU 47 -3.393 -3.078 -3.899 389 2HD2 LEU 47 2HD2 LEU 47 -4.540 -3.941 -4.950 390 3HD2 LEU 47 3HD2 LEU 47 -3.911 -2.349 -5.438 391 H LYS 48 H LYS 48 -7.115 -3.644 -1.635 392 HA LYS 48 HA LYS 48 -9.282 -2.871 -3.180 393 1HB LYS 48 1HB LYS 48 -8.298 -5.223 -2.339 394 2HB LYS 48 2HB LYS 48 -9.617 -5.072 -1.195 395 1HG LYS 48 1HG LYS 48 -11.015 -5.817 -2.818 396 2HG LYS 48 2HG LYS 48 -10.760 -4.301 -3.658 397 1HD LYS 48 1HD LYS 48 -9.528 -5.306 -5.283 398 2HD LYS 48 2HD LYS 48 -8.494 -6.093 -4.107 399 1HE LYS 48 1HE LYS 48 -10.908 -7.505 -3.870 400 2HE LYS 48 2HE LYS 48 -10.810 -7.177 -5.589 401 1HZ LYS 48 1HZ LYS 48 -9.446 -9.093 -4.219 402 2HZ LYS 48 2HZ LYS 48 -9.203 -8.652 -5.772 403 3HZ LYS 48 3HZ LYS 48 -8.309 -7.979 -4.583 404 H GLU 49 H GLU 49 -8.486 -2.108 0.096 405 HA GLU 49 HA GLU 49 -11.055 -1.974 1.149 406 1HB GLU 49 1HB GLU 49 -10.056 -0.811 2.978 407 2HB GLU 49 2HB GLU 49 -8.818 -1.905 2.395 408 1HG GLU 49 1HG GLU 49 -7.457 -0.089 2.252 409 2HG GLU 49 2HG GLU 49 -8.384 0.375 0.839 410 H LYS 50 H LYS 50 -9.920 -0.402 -1.523 411 HA LYS 50 HA LYS 50 -10.668 1.306 -2.710 412 1HB LYS 50 1HB LYS 50 -12.911 0.735 -2.239 413 2HB LYS 50 2HB LYS 50 -12.811 1.305 -0.585 414 1HG LYS 50 1HG LYS 50 -13.140 3.507 -1.175 415 2HG LYS 50 2HG LYS 50 -12.171 3.374 -2.629 416 1HD LYS 50 1HD LYS 50 -14.752 1.852 -2.640 417 2HD LYS 50 2HD LYS 50 -14.897 3.599 -2.647 418 1HE LYS 50 1HE LYS 50 -12.821 2.821 -4.527 419 2HE LYS 50 2HE LYS 50 -14.263 1.880 -4.853 420 1HZ LYS 50 1HZ LYS 50 -13.817 4.646 -5.245 421 2HZ LYS 50 2HZ LYS 50 -14.976 3.685 -5.877 422 3HZ LYS 50 3HZ LYS 50 -15.196 4.376 -4.414 423 H GLY 51 H GLY 51 -8.419 1.654 -1.132 424 1HA GLY 51 1HA GLY 51 -8.764 4.395 -0.071 425 2HA GLY 51 2HA GLY 51 -7.592 3.231 0.516 426 H PHE 52 H PHE 52 -5.709 2.699 -0.769 427 HA PHE 52 HA PHE 52 -4.963 4.880 -2.502 428 1HB PHE 52 1HB PHE 52 -3.474 2.315 -1.694 429 2HB PHE 52 2HB PHE 52 -2.735 3.792 -2.280 430 HD1 PHE 52 HD1 PHE 52 -3.500 1.932 0.582 431 HD2 PHE 52 HD2 PHE 52 -3.256 5.935 -0.804 432 HE1 PHE 52 HE1 PHE 52 -3.230 2.734 2.945 433 HE2 PHE 52 HE2 PHE 52 -2.987 6.737 1.559 434 HZ PHE 52 HZ PHE 52 -2.977 5.127 3.406 435 H LYS 53 H LYS 53 -3.521 4.168 -4.502 436 HA LYS 53 HA LYS 53 -5.089 2.146 -5.943 437 1HB LYS 53 1HB LYS 53 -4.404 4.878 -6.577 438 2HB LYS 53 2HB LYS 53 -3.711 3.804 -7.775 439 1HG LYS 53 1HG LYS 53 -6.504 3.129 -6.979 440 2HG LYS 53 2HG LYS 53 -6.332 4.677 -7.782 441 1HD LYS 53 1HD LYS 53 -5.256 3.641 -9.716 442 2HD LYS 53 2HD LYS 53 -5.135 2.099 -8.893 443 1HE LYS 53 1HE LYS 53 -7.853 3.391 -9.300 444 2HE LYS 53 2HE LYS 53 -7.103 2.498 -10.608 445 1HZ LYS 53 1HZ LYS 53 -7.357 1.329 -7.939 446 2HZ LYS 53 2HZ LYS 53 -8.573 1.236 -9.024 447 3HZ LYS 53 3HZ LYS 53 -7.124 0.563 -9.362 448 H VAL 54 H VAL 54 -3.749 0.423 -5.093 449 HA VAL 54 HA VAL 54 -1.014 0.494 -6.162 450 HB VAL 54 HB VAL 54 -1.871 -1.494 -4.120 451 1HG1 VAL 54 1HG1 VAL 54 0.382 -1.413 -3.441 452 2HG1 VAL 54 2HG1 VAL 54 0.444 -1.282 -5.215 453 3HG1 VAL 54 3HG1 VAL 54 0.650 0.171 -4.208 454 1HG2 VAL 54 1HG2 VAL 54 -1.542 1.465 -3.576 455 2HG2 VAL 54 2HG2 VAL 54 -2.876 0.388 -3.097 456 3HG2 VAL 54 3HG2 VAL 54 -1.281 0.228 -2.323 457 H ALA 55 H ALA 55 -0.879 -2.492 -5.659 458 HA ALA 55 HA ALA 55 -2.688 -4.035 -6.844 459 1HB ALA 55 1HB ALA 55 -3.036 -2.937 -8.839 460 2HB ALA 55 2HB ALA 55 -1.389 -2.262 -8.881 461 3HB ALA 55 3HB ALA 55 -1.664 -3.965 -9.320 462 H ARG 56 H ARG 56 -1.878 -6.148 -7.098 463 HA ARG 56 HA ARG 56 0.192 -6.951 -5.771 464 1HB ARG 56 1HB ARG 56 -0.721 -8.005 -8.488 465 2HB ARG 56 2HB ARG 56 0.437 -8.870 -7.498 466 1HG ARG 56 1HG ARG 56 -2.005 -8.003 -6.032 467 2HG ARG 56 2HG ARG 56 -2.314 -9.148 -7.323 468 1HD ARG 56 1HD ARG 56 -0.005 -9.738 -5.476 469 2HD ARG 56 2HD ARG 56 -1.622 -9.948 -4.836 470 HE ARG 56 HE ARG 56 -0.348 -11.555 -6.943 471 1HH1 ARG 56 1HH1 ARG 56 -3.383 -10.637 -5.417 472 2HH1 ARG 56 2HH1 ARG 56 -4.231 -12.045 -5.964 473 1HH2 ARG 56 1HH2 ARG 56 -1.466 -13.413 -7.665 474 2HH2 ARG 56 2HH2 ARG 56 -3.133 -13.635 -7.251 475 H ARG 57 H ARG 57 0.370 -5.784 -9.194 476 HA ARG 57 HA ARG 57 3.036 -6.332 -9.574 477 1HB ARG 57 1HB ARG 57 0.999 -5.288 -11.105 478 2HB ARG 57 2HB ARG 57 1.957 -3.843 -10.847 479 1HG ARG 57 1HG ARG 57 3.749 -6.034 -11.477 480 2HG ARG 57 2HG ARG 57 2.469 -6.000 -12.674 481 1HD ARG 57 1HD ARG 57 3.408 -4.191 -13.674 482 2HD ARG 57 2HD ARG 57 3.284 -3.272 -12.187 483 HE ARG 57 HE ARG 57 5.482 -4.809 -11.672 484 1HH1 ARG 57 1HH1 ARG 57 4.600 -2.873 -14.474 485 2HH1 ARG 57 2HH1 ARG 57 6.240 -2.522 -14.908 486 1HH2 ARG 57 1HH2 ARG 57 7.646 -4.346 -12.243 487 2HH2 ARG 57 2HH2 ARG 57 7.984 -3.366 -13.631 488 H THR 58 H THR 58 1.408 -3.211 -8.631 489 HA THR 58 HA THR 58 3.780 -1.772 -8.247 490 HB THR 58 HB THR 58 0.860 -1.533 -7.515 491 HG1 THR 58 HG1 THR 58 1.791 -0.799 -9.561 492 1HG2 THR 58 1HG2 THR 58 2.928 0.538 -6.657 493 2HG2 THR 58 2HG2 THR 58 1.194 0.483 -6.255 494 3HG2 THR 58 3HG2 THR 58 2.317 -0.684 -5.516 495 H VAL 59 H VAL 59 1.817 -3.790 -6.004 496 HA VAL 59 HA VAL 59 3.269 -3.105 -3.711 497 HB VAL 59 HB VAL 59 1.952 -5.766 -4.183 498 1HG1 VAL 59 1HG1 VAL 59 2.099 -3.923 -1.773 499 2HG1 VAL 59 2HG1 VAL 59 1.277 -5.501 -1.830 500 3HG1 VAL 59 3HG1 VAL 59 3.045 -5.410 -2.021 501 1HG2 VAL 59 1HG2 VAL 59 0.043 -4.779 -4.789 502 2HG2 VAL 59 2HG2 VAL 59 -0.011 -4.022 -3.179 503 3HG2 VAL 59 3HG2 VAL 59 0.738 -3.159 -4.544 504 H ALA 60 H ALA 60 3.675 -5.683 -6.200 505 HA ALA 60 HA ALA 60 5.688 -7.102 -4.945 506 1HB ALA 60 1HB ALA 60 5.356 -6.567 -7.924 507 2HB ALA 60 2HB ALA 60 6.160 -7.964 -7.169 508 3HB ALA 60 3HB ALA 60 4.401 -7.751 -7.000 509 H LYS 61 H LYS 61 5.806 -4.129 -6.981 510 HA LYS 61 HA LYS 61 8.603 -4.015 -7.130 511 1HB LYS 61 1HB LYS 61 6.522 -2.686 -8.293 512 2HB LYS 61 2HB LYS 61 7.101 -1.466 -7.178 513 1HG LYS 61 1HG LYS 61 9.360 -1.585 -8.094 514 2HG LYS 61 2HG LYS 61 8.959 -2.999 -9.050 515 1HD LYS 61 1HD LYS 61 8.705 -1.383 -10.692 516 2HD LYS 61 2HD LYS 61 7.073 -1.371 -10.053 517 1HE LYS 61 1HE LYS 61 8.789 0.402 -8.478 518 2HE LYS 61 2HE LYS 61 8.884 0.818 -10.178 519 1HZ LYS 61 1HZ LYS 61 6.296 0.351 -8.902 520 2HZ LYS 61 2HZ LYS 61 7.024 1.810 -8.812 521 3HZ LYS 61 3HZ LYS 61 6.621 1.188 -10.267 522 H TYR 62 H TYR 62 6.203 -2.631 -4.813 523 HA TYR 62 HA TYR 62 8.125 -1.221 -3.308 524 1HB TYR 62 1HB TYR 62 5.291 -2.325 -3.009 525 2HB TYR 62 2HB TYR 62 6.065 -1.635 -1.596 526 HD1 TYR 62 HD1 TYR 62 5.226 0.473 -1.136 527 HD2 TYR 62 HD2 TYR 62 5.918 -0.620 -5.214 528 HE1 TYR 62 HE1 TYR 62 4.514 2.795 -1.887 529 HE2 TYR 62 HE2 TYR 62 5.203 1.705 -5.952 530 HH TYR 62 HH TYR 62 3.536 3.542 -4.746 531 H ARG 63 H ARG 63 6.687 -4.521 -3.054 532 HA ARG 63 HA ARG 63 7.508 -5.212 -0.605 533 1HB ARG 63 1HB ARG 63 6.441 -6.547 -2.763 534 2HB ARG 63 2HB ARG 63 8.037 -7.270 -2.719 535 1HG ARG 63 1HG ARG 63 6.640 -7.023 -0.078 536 2HG ARG 63 2HG ARG 63 5.936 -8.159 -1.212 537 1HD ARG 63 1HD ARG 63 8.929 -8.206 -0.715 538 2HD ARG 63 2HD ARG 63 7.849 -8.964 0.439 539 HE ARG 63 HE ARG 63 7.179 -9.798 -2.245 540 1HH1 ARG 63 1HH1 ARG 63 9.554 -10.304 0.302 541 2HH1 ARG 63 2HH1 ARG 63 9.959 -11.906 -0.219 542 1HH2 ARG 63 1HH2 ARG 63 7.714 -11.911 -2.932 543 2HH2 ARG 63 2HH2 ARG 63 8.906 -12.826 -2.071 544 H GLU 64 H GLU 64 9.456 -5.098 -3.636 545 HA GLU 64 HA GLU 64 11.727 -6.267 -2.460 546 1HB GLU 64 1HB GLU 64 10.916 -5.704 -5.035 547 2HB GLU 64 2HB GLU 64 12.132 -4.465 -4.793 548 1HG GLU 64 1HG GLU 64 13.802 -5.983 -5.011 549 2HG GLU 64 2HG GLU 64 13.137 -6.965 -3.720 550 H MET 65 H MET 65 10.521 -2.921 -2.908 551 HA MET 65 HA MET 65 12.920 -1.680 -2.191 552 1HB MET 65 1HB MET 65 9.989 -0.782 -2.069 553 2HB MET 65 2HB MET 65 11.331 0.310 -1.791 554 1HG MET 65 1HG MET 65 12.220 -0.508 -4.120 555 2HG MET 65 2HG MET 65 10.608 -1.150 -4.361 556 1HE MET 65 1HE MET 65 9.258 1.338 -6.243 557 2HE MET 65 2HE MET 65 9.218 -0.276 -5.493 558 3HE MET 65 3HE MET 65 8.278 1.059 -4.784 559 H LEU 66 H LEU 66 10.518 -3.391 -0.356 560 HA LEU 66 HA LEU 66 11.919 -2.721 2.073 561 1HB LEU 66 1HB LEU 66 9.564 -2.338 3.150 562 2HB LEU 66 2HB LEU 66 10.485 -1.020 2.452 563 HG LEU 66 HG LEU 66 8.642 -2.372 0.575 564 1HD1 LEU 66 1HD1 LEU 66 7.700 -1.456 3.187 565 2HD1 LEU 66 2HD1 LEU 66 6.890 -0.643 1.826 566 3HD1 LEU 66 3HD1 LEU 66 6.876 -2.419 1.937 567 1HD2 LEU 66 1HD2 LEU 66 8.759 0.569 1.181 568 2HD2 LEU 66 2HD2 LEU 66 10.076 -0.223 0.282 569 3HD2 LEU 66 3HD2 LEU 66 8.414 -0.264 -0.354 570 H GLY 67 H GLY 67 8.743 -4.184 1.070 571 1HA GLY 67 1HA GLY 67 8.031 -6.323 1.166 572 2HA GLY 67 2HA GLY 67 9.684 -6.849 1.416 Start of MODEL 2 1 1H THR 1 1H THR 1 13.582 14.433 37.922 2 HA THR 1 HA THR 1 11.565 15.587 38.731 3 HB THR 1 HB THR 1 13.752 17.185 37.307 4 HG1 THR 1 HG1 THR 1 14.549 17.105 39.519 5 1HG2 THR 1 1HG2 THR 1 11.931 18.114 39.580 6 2HG2 THR 1 2HG2 THR 1 13.149 19.075 38.708 7 3HG2 THR 1 3HG2 THR 1 11.652 18.574 37.884 8 H TYR 2 H TYR 2 9.517 15.795 38.108 9 HA TYR 2 HA TYR 2 7.745 16.434 36.935 10 1HB TYR 2 1HB TYR 2 9.781 18.346 36.432 11 2HB TYR 2 2HB TYR 2 9.282 17.884 34.817 12 HD1 TYR 2 HD1 TYR 2 8.149 19.398 37.997 13 HD2 TYR 2 HD2 TYR 2 7.142 18.551 33.926 14 HE1 TYR 2 HE1 TYR 2 6.163 20.978 38.152 15 HE2 TYR 2 HE2 TYR 2 5.160 20.133 34.095 16 HH TYR 2 HH TYR 2 3.695 20.992 35.919 17 H SER 3 H SER 3 6.534 15.406 35.373 18 HA SER 3 HA SER 3 8.105 13.889 33.450 19 1HB SER 3 1HB SER 3 5.577 13.373 34.963 20 2HB SER 3 2HB SER 3 5.620 12.761 33.322 21 HG SER 3 HG SER 3 6.439 11.159 34.740 22 H LEU 4 H LEU 4 6.611 13.365 31.359 23 HA LEU 4 HA LEU 4 5.292 15.870 30.589 24 1HB LEU 4 1HB LEU 4 7.684 14.660 29.497 25 2HB LEU 4 2HB LEU 4 6.430 14.775 28.278 26 HG LEU 4 HG LEU 4 6.717 17.243 29.831 27 1HD1 LEU 4 1HD1 LEU 4 9.013 16.861 27.983 28 2HD1 LEU 4 2HD1 LEU 4 8.873 17.836 29.466 29 3HD1 LEU 4 3HD1 LEU 4 9.115 16.076 29.577 30 1HD2 LEU 4 1HD2 LEU 4 7.199 17.151 26.904 31 2HD2 LEU 4 2HD2 LEU 4 5.610 16.585 27.472 32 3HD2 LEU 4 3HD2 LEU 4 6.164 18.229 27.873 33 H ARG 5 H ARG 5 4.504 15.007 27.999 34 HA ARG 5 HA ARG 5 3.156 12.513 28.418 35 1HB ARG 5 1HB ARG 5 1.802 14.808 29.163 36 2HB ARG 5 2HB ARG 5 1.312 14.674 27.486 37 1HG ARG 5 1HG ARG 5 -0.265 13.209 28.239 38 2HG ARG 5 2HG ARG 5 1.045 12.050 28.339 39 1HD ARG 5 1HD ARG 5 0.969 12.025 30.617 40 2HD ARG 5 2HD ARG 5 1.023 13.774 30.709 41 HE ARG 5 HE ARG 5 -1.582 13.077 29.824 42 1HH1 ARG 5 1HH1 ARG 5 0.420 12.669 32.689 43 2HH1 ARG 5 2HH1 ARG 5 -0.926 12.609 33.777 44 1HH2 ARG 5 1HH2 ARG 5 -3.359 12.998 31.260 45 2HH2 ARG 5 2HH2 ARG 5 -3.090 12.797 32.959 46 H THR 6 H THR 6 2.825 11.443 26.437 47 HA THR 6 HA THR 6 3.825 12.844 24.087 48 HB THR 6 HB THR 6 3.174 9.921 24.728 49 HG1 THR 6 HG1 THR 6 5.524 11.636 24.360 50 1HG2 THR 6 1HG2 THR 6 4.484 9.455 22.630 51 2HG2 THR 6 2HG2 THR 6 2.953 10.292 22.280 52 3HG2 THR 6 3HG2 THR 6 4.486 11.198 22.270 53 H PHE 7 H PHE 7 2.687 12.381 21.951 54 HA PHE 7 HA PHE 7 -0.192 12.712 22.421 55 1HB PHE 7 1HB PHE 7 1.630 14.454 21.291 56 2HB PHE 7 2HB PHE 7 1.208 13.528 19.864 57 HD1 PHE 7 HD1 PHE 7 -0.356 14.555 18.537 58 HD2 PHE 7 HD2 PHE 7 -0.678 14.995 22.746 59 HE1 PHE 7 HE1 PHE 7 -2.413 15.962 18.233 60 HE2 PHE 7 HE2 PHE 7 -2.735 16.402 22.441 61 HZ PHE 7 HZ PHE 7 -3.577 16.868 20.188 62 H PHE 8 H PHE 8 -1.343 12.287 20.061 63 HA PHE 8 HA PHE 8 -0.542 9.544 19.432 64 1HB PHE 8 1HB PHE 8 -2.889 9.250 18.929 65 2HB PHE 8 2HB PHE 8 -2.892 10.298 20.333 66 HD1 PHE 8 HD1 PHE 8 -3.584 12.607 20.161 67 HD2 PHE 8 HD2 PHE 8 -3.450 10.135 16.714 68 HE1 PHE 8 HE1 PHE 8 -4.933 14.302 18.893 69 HE2 PHE 8 HE2 PHE 8 -4.799 11.830 15.446 70 HZ PHE 8 HZ PHE 8 -5.524 13.893 16.550 71 H VAL 9 H VAL 9 -0.991 8.840 17.103 72 HA VAL 9 HA VAL 9 0.158 10.860 15.361 73 HB VAL 9 HB VAL 9 1.295 8.830 15.261 74 1HG1 VAL 9 1HG1 VAL 9 -1.388 7.640 15.647 75 2HG1 VAL 9 2HG1 VAL 9 -0.296 6.726 14.578 76 3HG1 VAL 9 3HG1 VAL 9 0.204 7.110 16.243 77 1HG2 VAL 9 1HG2 VAL 9 -0.144 7.932 12.949 78 2HG2 VAL 9 2HG2 VAL 9 -0.190 9.711 12.998 79 3HG2 VAL 9 3HG2 VAL 9 1.373 8.859 13.034 80 H ARG 10 H ARG 10 -1.812 8.360 13.915 81 HA ARG 10 HA ARG 10 -4.243 9.657 13.934 82 1HB ARG 10 1HB ARG 10 -2.367 10.923 12.191 83 2HB ARG 10 2HB ARG 10 -3.442 10.020 11.144 84 1HG ARG 10 1HG ARG 10 -5.126 11.507 11.474 85 2HG ARG 10 2HG ARG 10 -5.007 11.337 13.214 86 1HD ARG 10 1HD ARG 10 -2.994 12.929 13.136 87 2HD ARG 10 2HD ARG 10 -3.365 13.209 11.447 88 HE ARG 10 HE ARG 10 -5.673 13.588 13.215 89 1HH1 ARG 10 1HH1 ARG 10 -2.855 15.130 11.777 90 2HH1 ARG 10 2HH1 ARG 10 -3.493 16.732 11.934 91 1HH2 ARG 10 1HH2 ARG 10 -6.515 15.702 13.423 92 2HH2 ARG 10 2HH2 ARG 10 -5.589 17.060 12.876 93 H GLU 11 H GLU 11 -2.018 8.030 11.546 94 HA GLU 11 HA GLU 11 -2.093 6.041 10.646 95 1HB GLU 11 1HB GLU 11 -3.671 5.628 12.969 96 2HB GLU 11 2HB GLU 11 -4.589 4.918 11.656 97 1HG GLU 11 1HG GLU 11 -3.026 3.266 11.264 98 2HG GLU 11 2HG GLU 11 -1.666 4.320 11.599 99 H SER 12 H SER 12 -3.659 4.607 9.156 100 HA SER 12 HA SER 12 -4.955 4.520 7.418 101 1HB SER 12 1HB SER 12 -6.496 6.134 9.310 102 2HB SER 12 2HB SER 12 -6.878 6.587 7.661 103 HG SER 12 HG SER 12 -7.008 4.094 7.352 104 H ALA 13 H ALA 13 -5.307 5.529 5.291 105 HA ALA 13 HA ALA 13 -3.629 7.904 4.977 106 1HB ALA 13 1HB ALA 13 -4.562 5.710 3.091 107 2HB ALA 13 2HB ALA 13 -3.703 7.169 2.541 108 3HB ALA 13 3HB ALA 13 -2.906 6.035 3.657 109 H GLU 14 H GLU 14 -4.376 9.508 3.266 110 HA GLU 14 HA GLU 14 -7.181 9.542 2.778 111 1HB GLU 14 1HB GLU 14 -6.218 10.827 5.135 112 2HB GLU 14 2HB GLU 14 -6.570 12.111 3.995 113 1HG GLU 14 1HG GLU 14 -8.791 10.576 3.612 114 2HG GLU 14 2HG GLU 14 -8.434 10.134 5.269 115 H GLY 15 H GLY 15 -5.964 9.364 0.651 116 1HA GLY 15 1HA GLY 15 -5.590 10.412 -1.327 117 2HA GLY 15 2HA GLY 15 -5.775 11.969 -0.546 118 H LEU 16 H LEU 16 -3.557 9.642 0.912 119 HA LEU 16 HA LEU 16 -1.417 11.291 1.023 120 1HB LEU 16 1HB LEU 16 -0.370 9.545 1.929 121 2HB LEU 16 2HB LEU 16 -1.959 8.810 1.865 122 HG LEU 16 HG LEU 16 0.076 8.457 -0.343 123 1HD1 LEU 16 1HD1 LEU 16 1.330 7.301 1.094 124 2HD1 LEU 16 2HD1 LEU 16 0.060 7.300 2.342 125 3HD1 LEU 16 3HD1 LEU 16 0.041 6.075 1.051 126 1HD2 LEU 16 1HD2 LEU 16 -1.932 6.373 0.250 127 2HD2 LEU 16 2HD2 LEU 16 -2.582 7.914 -0.361 128 3HD2 LEU 16 3HD2 LEU 16 -1.365 7.023 -1.307 129 H THR 17 H THR 17 0.791 10.939 -0.151 130 HA THR 17 HA THR 17 0.237 11.321 -2.977 131 HB THR 17 HB THR 17 2.777 11.939 -2.840 132 HG1 THR 17 HG1 THR 17 3.307 12.320 -0.503 133 1HG2 THR 17 1HG2 THR 17 2.317 14.122 -2.021 134 2HG2 THR 17 2HG2 THR 17 0.713 13.579 -2.570 135 3HG2 THR 17 3HG2 THR 17 1.127 13.524 -0.840 136 H GLN 18 H GLN 18 1.562 10.285 -4.653 137 HA GLN 18 HA GLN 18 1.403 7.553 -4.434 138 1HB GLN 18 1HB GLN 18 2.560 7.490 -6.584 139 2HB GLN 18 2HB GLN 18 1.442 8.840 -6.573 140 1HG GLN 18 1HG GLN 18 3.254 10.045 -7.292 141 2HG GLN 18 2HG GLN 18 3.680 10.083 -5.592 142 1HE2 GLN 18 1HE2 GLN 18 4.138 8.381 -8.639 143 2HE2 GLN 18 2HE2 GLN 18 5.685 7.684 -8.291 144 H GLY 19 H GLY 19 4.050 9.818 -3.673 145 1HA GLY 19 1HA GLY 19 6.104 7.849 -3.487 146 2HA GLY 19 2HA GLY 19 6.140 9.494 -2.882 147 H GLU 20 H GLU 20 3.735 9.331 -1.208 148 HA GLU 20 HA GLU 20 4.952 8.300 1.083 149 1HB GLU 20 1HB GLU 20 2.327 9.565 0.388 150 2HB GLU 20 2HB GLU 20 2.371 8.636 1.874 151 1HG GLU 20 1HG GLU 20 2.948 11.075 2.190 152 2HG GLU 20 2HG GLU 20 4.190 9.981 2.765 153 H LEU 21 H LEU 21 2.554 7.033 -1.242 154 HA LEU 21 HA LEU 21 1.345 5.039 0.057 155 1HB LEU 21 1HB LEU 21 1.490 5.757 -2.478 156 2HB LEU 21 2HB LEU 21 2.597 4.402 -2.578 157 HG LEU 21 HG LEU 21 0.458 3.605 -3.215 158 1HD1 LEU 21 1HD1 LEU 21 1.907 2.354 -1.371 159 2HD1 LEU 21 2HD1 LEU 21 0.434 2.607 -0.405 160 3HD1 LEU 21 3HD1 LEU 21 0.347 1.718 -1.945 161 1HD2 LEU 21 1HD2 LEU 21 -0.578 4.983 -0.733 162 2HD2 LEU 21 2HD2 LEU 21 -1.021 5.273 -2.432 163 3HD2 LEU 21 3HD2 LEU 21 -1.514 3.763 -1.630 164 H MET 22 H MET 22 4.785 5.098 -0.987 165 HA MET 22 HA MET 22 5.396 2.490 -0.492 166 1HB MET 22 1HB MET 22 6.982 5.086 -0.148 167 2HB MET 22 2HB MET 22 7.743 3.520 0.051 168 1HG MET 22 1HG MET 22 6.411 3.184 -2.365 169 2HG MET 22 2HG MET 22 6.845 4.880 -2.438 170 1HE MET 22 1HE MET 22 8.698 1.103 -2.375 171 2HE MET 22 2HE MET 22 9.831 1.722 -1.150 172 3HE MET 22 3HE MET 22 8.077 1.780 -0.851 173 H LYS 23 H LYS 23 5.640 5.302 1.803 174 HA LYS 23 HA LYS 23 6.410 3.682 3.980 175 1HB LYS 23 1HB LYS 23 6.276 5.662 5.266 176 2HB LYS 23 2HB LYS 23 6.844 6.149 3.682 177 1HG LYS 23 1HG LYS 23 5.049 7.505 3.383 178 2HG LYS 23 2HG LYS 23 3.938 6.187 3.695 179 1HD LYS 23 1HD LYS 23 5.367 7.561 5.996 180 2HD LYS 23 2HD LYS 23 3.927 8.275 5.298 181 1HE LYS 23 1HE LYS 23 2.704 6.914 6.645 182 2HE LYS 23 2HE LYS 23 3.219 5.571 5.643 183 1HZ LYS 23 1HZ LYS 23 5.107 5.275 7.063 184 2HZ LYS 23 2HZ LYS 23 4.714 6.580 7.964 185 3HZ LYS 23 3HZ LYS 23 3.751 5.260 7.974 186 H LEU 24 H LEU 24 3.335 4.474 2.456 187 HA LEU 24 HA LEU 24 1.700 3.946 4.688 188 1HB LEU 24 1HB LEU 24 1.179 5.186 2.512 189 2HB LEU 24 2HB LEU 24 0.933 3.605 1.797 190 HG LEU 24 HG LEU 24 -0.614 4.791 4.117 191 1HD1 LEU 24 1HD1 LEU 24 -1.495 5.852 2.281 192 2HD1 LEU 24 2HD1 LEU 24 -1.150 4.493 1.185 193 3HD1 LEU 24 3HD1 LEU 24 -2.504 4.387 2.336 194 1HD2 LEU 24 1HD2 LEU 24 -0.554 2.022 2.971 195 2HD2 LEU 24 2HD2 LEU 24 -0.663 2.557 4.665 196 3HD2 LEU 24 3HD2 LEU 24 -2.082 2.685 3.599 197 H ILE 25 H ILE 25 3.023 1.924 2.013 198 HA ILE 25 HA ILE 25 1.610 -0.394 2.793 199 HB ILE 25 HB ILE 25 3.882 0.245 0.961 200 1HG1 ILE 25 1HG1 ILE 25 1.206 -1.108 0.512 201 2HG1 ILE 25 2HG1 ILE 25 1.506 0.605 0.301 202 1HG2 ILE 25 1HG2 ILE 25 2.962 -2.592 1.457 203 2HG2 ILE 25 2HG2 ILE 25 4.294 -2.026 0.421 204 3HG2 ILE 25 3HG2 ILE 25 4.425 -1.894 2.191 205 1HD1 ILE 25 1HD1 ILE 25 3.489 -1.092 -1.095 206 2HD1 ILE 25 2HD1 ILE 25 1.820 -1.325 -1.668 207 3HD1 ILE 25 3HD1 ILE 25 2.554 0.296 -1.701 208 H LYS 26 H LYS 26 4.891 0.926 3.503 209 HA LYS 26 HA LYS 26 5.760 -1.314 4.946 210 1HB LYS 26 1HB LYS 26 7.086 0.667 3.939 211 2HB LYS 26 2HB LYS 26 6.702 1.512 5.425 212 1HG LYS 26 1HG LYS 26 7.556 -0.998 6.336 213 2HG LYS 26 2HG LYS 26 8.606 -0.702 4.964 214 1HD LYS 26 1HD LYS 26 9.434 1.356 5.895 215 2HD LYS 26 2HD LYS 26 8.140 1.439 7.074 216 1HE LYS 26 1HE LYS 26 9.676 0.521 8.504 217 2HE LYS 26 2HE LYS 26 9.241 -0.993 7.736 218 1HZ LYS 26 1HZ LYS 26 11.685 -0.201 7.812 219 2HZ LYS 26 2HZ LYS 26 11.121 -0.979 6.492 220 3HZ LYS 26 3HZ LYS 26 11.278 0.646 6.477 221 H GLU 27 H GLU 27 3.767 1.524 5.771 222 HA GLU 27 HA GLU 27 3.982 1.412 8.493 223 1HB GLU 27 1HB GLU 27 2.625 2.977 6.755 224 2HB GLU 27 2HB GLU 27 1.286 1.989 7.304 225 1HG GLU 27 1HG GLU 27 3.136 3.106 9.403 226 2HG GLU 27 2HG GLU 27 2.048 4.226 8.609 227 H ILE 28 H ILE 28 1.959 -0.524 6.241 228 HA ILE 28 HA ILE 28 0.437 -1.761 8.273 229 HB ILE 28 HB ILE 28 0.889 -2.114 5.357 230 1HG1 ILE 28 1HG1 ILE 28 -1.817 -2.356 6.044 231 2HG1 ILE 28 2HG1 ILE 28 -1.185 -1.163 7.162 232 1HG2 ILE 28 1HG2 ILE 28 -0.475 -4.232 7.043 233 2HG2 ILE 28 2HG2 ILE 28 -0.362 -4.186 5.267 234 3HG2 ILE 28 3HG2 ILE 28 1.108 -4.406 6.246 235 1HD1 ILE 28 1HD1 ILE 28 -1.568 -0.981 4.234 236 2HD1 ILE 28 2HD1 ILE 28 -1.472 0.315 5.450 237 3HD1 ILE 28 3HD1 ILE 28 0.020 -0.392 4.783 238 H VAL 29 H VAL 29 3.541 -2.497 6.626 239 HA VAL 29 HA VAL 29 3.753 -5.034 7.964 240 HB VAL 29 HB VAL 29 6.065 -3.712 6.636 241 1HG1 VAL 29 1HG1 VAL 29 6.324 -5.974 7.451 242 2HG1 VAL 29 2HG1 VAL 29 4.867 -6.501 6.574 243 3HG1 VAL 29 3HG1 VAL 29 6.316 -6.000 5.671 244 1HG2 VAL 29 1HG2 VAL 29 4.838 -4.761 4.455 245 2HG2 VAL 29 2HG2 VAL 29 3.429 -4.136 5.345 246 3HG2 VAL 29 3HG2 VAL 29 4.763 -3.041 4.908 247 H GLU 30 H GLU 30 3.957 -1.864 8.988 248 HA GLU 30 HA GLU 30 6.356 -1.971 10.444 249 1HB GLU 30 1HB GLU 30 4.506 -0.011 9.780 250 2HB GLU 30 2HB GLU 30 4.221 -0.205 11.499 251 1HG GLU 30 1HG GLU 30 6.015 1.157 11.819 252 2HG GLU 30 2HG GLU 30 7.010 -0.209 11.353 253 H ASN 31 H ASN 31 3.376 -3.593 10.807 254 HA ASN 31 HA ASN 31 4.193 -4.508 13.377 255 1HB ASN 31 1HB ASN 31 1.731 -2.781 12.982 256 2HB ASN 31 2HB ASN 31 1.658 -4.079 14.158 257 1HD2 ASN 31 1HD2 ASN 31 3.236 -1.102 13.222 258 2HD2 ASN 31 2HD2 ASN 31 3.945 -0.706 14.751 259 H GLU 32 H GLU 32 4.185 -5.977 11.084 260 HA GLU 32 HA GLU 32 1.744 -7.022 10.296 261 1HB GLU 32 1HB GLU 32 3.050 -8.701 9.126 262 2HB GLU 32 2HB GLU 32 3.902 -7.174 9.019 263 1HG GLU 32 1HG GLU 32 5.687 -7.952 10.214 264 2HG GLU 32 2HG GLU 32 4.665 -8.697 11.427 265 H ASP 33 H ASP 33 2.392 -9.923 10.470 266 HA ASP 33 HA ASP 33 2.467 -10.489 13.260 267 1HB ASP 33 1HB ASP 33 -0.016 -9.876 12.380 268 2HB ASP 33 2HB ASP 33 0.022 -11.546 11.850 269 H LYS 34 H LYS 34 2.349 -12.981 13.567 270 HA LYS 34 HA LYS 34 3.894 -14.225 11.554 271 1HB LYS 34 1HB LYS 34 2.636 -15.131 14.140 272 2HB LYS 34 2HB LYS 34 3.414 -16.278 13.068 273 1HG LYS 34 1HG LYS 34 4.948 -13.767 13.659 274 2HG LYS 34 2HG LYS 34 4.756 -14.888 14.992 275 1HD LYS 34 1HD LYS 34 5.444 -16.623 12.957 276 2HD LYS 34 2HD LYS 34 6.327 -15.188 12.475 277 1HE LYS 34 1HE LYS 34 6.463 -16.121 15.357 278 2HE LYS 34 2HE LYS 34 7.437 -16.927 14.144 279 1HZ LYS 34 1HZ LYS 34 7.957 -14.420 13.566 280 2HZ LYS 34 2HZ LYS 34 7.658 -14.245 15.162 281 3HZ LYS 34 3HZ LYS 34 8.826 -15.268 14.658 282 H ARG 35 H ARG 35 0.644 -15.181 12.879 283 HA ARG 35 HA ARG 35 0.148 -16.708 10.567 284 1HB ARG 35 1HB ARG 35 -0.785 -17.238 12.845 285 2HB ARG 35 2HB ARG 35 -1.771 -15.791 12.770 286 1HG ARG 35 1HG ARG 35 -3.309 -16.757 11.375 287 2HG ARG 35 2HG ARG 35 -2.078 -17.506 10.378 288 1HD ARG 35 1HD ARG 35 -1.727 -19.181 12.333 289 2HD ARG 35 2HD ARG 35 -3.208 -18.539 13.014 290 HE ARG 35 HE ARG 35 -4.445 -19.615 11.328 291 1HH1 ARG 35 1HH1 ARG 35 -1.025 -19.650 10.499 292 2HH1 ARG 35 2HH1 ARG 35 -1.227 -20.743 9.171 293 1HH2 ARG 35 1HH2 ARG 35 -4.712 -21.058 9.575 294 2HH2 ARG 35 2HH2 ARG 35 -3.338 -21.549 8.642 295 H LYS 36 H LYS 36 0.169 -13.395 11.074 296 HA LYS 36 HA LYS 36 -1.668 -12.992 8.846 297 1HB LYS 36 1HB LYS 36 -2.306 -12.316 11.534 298 2HB LYS 36 2HB LYS 36 -1.970 -10.814 10.697 299 1HG LYS 36 1HG LYS 36 -3.647 -12.814 9.214 300 2HG LYS 36 2HG LYS 36 -4.393 -12.057 10.608 301 1HD LYS 36 1HD LYS 36 -2.952 -10.122 8.894 302 2HD LYS 36 2HD LYS 36 -4.231 -10.959 8.038 303 1HE LYS 36 1HE LYS 36 -5.787 -9.666 9.063 304 2HE LYS 36 2HE LYS 36 -5.270 -10.260 10.628 305 1HZ LYS 36 1HZ LYS 36 -3.342 -8.512 9.975 306 2HZ LYS 36 2HZ LYS 36 -4.671 -7.787 9.362 307 3HZ LYS 36 3HZ LYS 36 -4.614 -8.184 10.945 308 HA PRO 37 HA PRO 37 2.268 -10.898 8.277 309 1HB PRO 37 1HB PRO 37 2.750 -11.770 5.732 310 2HB PRO 37 2HB PRO 37 3.369 -12.582 7.156 311 1HG PRO 37 1HG PRO 37 1.137 -13.381 5.390 312 2HG PRO 37 2HG PRO 37 2.035 -14.358 6.535 313 1HD PRO 37 1HD PRO 37 -0.599 -13.281 6.894 314 2HD PRO 37 2HD PRO 37 0.345 -14.158 8.081 315 H TYR 38 H TYR 38 2.901 -9.883 5.733 316 HA TYR 38 HA TYR 38 0.525 -8.469 4.895 317 1HB TYR 38 1HB TYR 38 2.883 -7.371 6.484 318 2HB TYR 38 2HB TYR 38 2.197 -6.336 5.247 319 HD1 TYR 38 HD1 TYR 38 2.284 -6.223 8.458 320 HD2 TYR 38 HD2 TYR 38 -0.718 -7.103 5.539 321 HE1 TYR 38 HE1 TYR 38 0.476 -5.473 10.081 322 HE2 TYR 38 HE2 TYR 38 -2.516 -6.350 7.172 323 HH TYR 38 HH TYR 38 -2.609 -4.766 9.139 324 H SER 39 H SER 39 1.821 -10.306 3.374 325 HA SER 39 HA SER 39 4.003 -9.224 1.980 326 1HB SER 39 1HB SER 39 2.890 -11.118 0.278 327 2HB SER 39 2HB SER 39 4.079 -11.442 1.523 328 HG SER 39 HG SER 39 1.246 -11.849 1.573 329 H ASP 40 H ASP 40 3.833 -9.018 -0.578 330 HA ASP 40 HA ASP 40 2.497 -6.794 -1.186 331 1HB ASP 40 1HB ASP 40 2.657 -7.524 -3.588 332 2HB ASP 40 2HB ASP 40 4.146 -7.755 -2.694 333 H GLN 41 H GLN 41 1.304 -10.167 -1.130 334 HA GLN 41 HA GLN 41 -1.026 -9.737 -2.589 335 1HB GLN 41 1HB GLN 41 -0.783 -11.990 -2.410 336 2HB GLN 41 2HB GLN 41 0.155 -11.864 -0.935 337 1HG GLN 41 1HG GLN 41 -1.982 -13.055 -0.526 338 2HG GLN 41 2HG GLN 41 -1.907 -11.569 0.400 339 1HE2 GLN 41 1HE2 GLN 41 -4.282 -12.167 0.355 340 2HE2 GLN 41 2HE2 GLN 41 -5.261 -11.448 -0.880 341 H GLU 42 H GLU 42 -0.463 -9.931 1.001 342 HA GLU 42 HA GLU 42 -3.075 -9.275 1.654 343 1HB GLU 42 1HB GLU 42 -0.866 -10.117 3.038 344 2HB GLU 42 2HB GLU 42 -0.919 -8.440 3.543 345 1HG GLU 42 1HG GLU 42 -3.602 -9.632 3.574 346 2HG GLU 42 2HG GLU 42 -2.490 -10.565 4.556 347 H ILE 43 H ILE 43 -0.097 -7.192 1.943 348 HA ILE 43 HA ILE 43 -1.254 -4.844 2.552 349 HB ILE 43 HB ILE 43 1.205 -5.732 1.293 350 1HG1 ILE 43 1HG1 ILE 43 0.853 -3.253 2.958 351 2HG1 ILE 43 2HG1 ILE 43 0.629 -4.831 3.687 352 1HG2 ILE 43 1HG2 ILE 43 1.875 -3.701 0.221 353 2HG2 ILE 43 2HG2 ILE 43 0.348 -4.238 -0.519 354 3HG2 ILE 43 3HG2 ILE 43 0.346 -2.900 0.655 355 1HD1 ILE 43 1HD1 ILE 43 2.864 -5.196 3.760 356 2HD1 ILE 43 2HD1 ILE 43 3.037 -4.816 2.030 357 3HD1 ILE 43 3HD1 ILE 43 3.085 -3.509 3.237 358 H ALA 44 H ALA 44 -0.947 -6.273 -0.757 359 HA ALA 44 HA ALA 44 -2.064 -4.140 -2.134 360 1HB ALA 44 1HB ALA 44 -2.003 -7.135 -2.648 361 2HB ALA 44 2HB ALA 44 -2.601 -5.952 -3.836 362 3HB ALA 44 3HB ALA 44 -0.906 -5.892 -3.297 363 H ASN 45 H ASN 45 -3.580 -6.989 -0.513 364 HA ASN 45 HA ASN 45 -6.154 -6.380 -1.389 365 1HB ASN 45 1HB ASN 45 -4.934 -8.109 0.769 366 2HB ASN 45 2HB ASN 45 -6.653 -7.784 0.879 367 1HD2 ASN 45 1HD2 ASN 45 -4.085 -9.024 -1.191 368 2HD2 ASN 45 2HD2 ASN 45 -5.055 -10.074 -2.169 369 H ILE 46 H ILE 46 -4.038 -5.163 1.156 370 HA ILE 46 HA ILE 46 -6.088 -4.171 2.856 371 HB ILE 46 HB ILE 46 -3.127 -3.986 2.662 372 1HG1 ILE 46 1HG1 ILE 46 -5.072 -4.677 4.883 373 2HG1 ILE 46 2HG1 ILE 46 -4.175 -5.814 3.895 374 1HG2 ILE 46 1HG2 ILE 46 -3.169 -1.796 3.186 375 2HG2 ILE 46 2HG2 ILE 46 -4.857 -1.848 3.751 376 3HG2 ILE 46 3HG2 ILE 46 -3.544 -2.404 4.817 377 1HD1 ILE 46 1HD1 ILE 46 -3.318 -4.487 6.297 378 2HD1 ILE 46 2HD1 ILE 46 -2.421 -5.668 5.313 379 3HD1 ILE 46 3HD1 ILE 46 -2.281 -3.929 4.962 380 H LEU 47 H LEU 47 -3.947 -2.742 0.311 381 HA LEU 47 HA LEU 47 -4.872 -0.140 0.555 382 1HB LEU 47 1HB LEU 47 -3.700 -1.693 -1.744 383 2HB LEU 47 2HB LEU 47 -4.109 0.006 -1.873 384 HG LEU 47 HG LEU 47 -2.270 0.662 -0.778 385 1HD1 LEU 47 1HD1 LEU 47 -3.162 0.017 1.389 386 2HD1 LEU 47 2HD1 LEU 47 -2.609 -1.657 1.144 387 3HD1 LEU 47 3HD1 LEU 47 -1.420 -0.341 1.300 388 1HD2 LEU 47 1HD2 LEU 47 -1.068 -2.056 -0.734 389 2HD2 LEU 47 2HD2 LEU 47 -1.653 -1.453 -2.303 390 3HD2 LEU 47 3HD2 LEU 47 -0.440 -0.525 -1.389 391 H LYS 48 H LYS 48 -6.321 -3.025 -0.894 392 HA LYS 48 HA LYS 48 -8.118 -1.807 -2.614 393 1HB LYS 48 1HB LYS 48 -7.765 -4.428 -1.335 394 2HB LYS 48 2HB LYS 48 -9.442 -4.037 -1.657 395 1HG LYS 48 1HG LYS 48 -9.025 -3.704 -4.010 396 2HG LYS 48 2HG LYS 48 -7.289 -3.650 -3.775 397 1HD LYS 48 1HD LYS 48 -7.089 -5.956 -3.621 398 2HD LYS 48 2HD LYS 48 -8.648 -6.153 -2.846 399 1HE LYS 48 1HE LYS 48 -9.820 -6.181 -4.877 400 2HE LYS 48 2HE LYS 48 -8.629 -5.199 -5.706 401 1HZ LYS 48 1HZ LYS 48 -7.689 -7.039 -6.414 402 2HZ LYS 48 2HZ LYS 48 -7.410 -7.558 -4.891 403 3HZ LYS 48 3HZ LYS 48 -8.803 -7.954 -5.646 404 H GLU 49 H GLU 49 -8.133 -2.211 0.933 405 HA GLU 49 HA GLU 49 -10.672 -1.857 1.589 406 1HB GLU 49 1HB GLU 49 -8.189 -0.566 2.776 407 2HB GLU 49 2HB GLU 49 -9.762 -0.394 3.530 408 1HG GLU 49 1HG GLU 49 -8.808 -3.164 2.776 409 2HG GLU 49 2HG GLU 49 -8.135 -2.402 4.203 410 H LYS 50 H LYS 50 -8.619 0.475 -0.083 411 HA LYS 50 HA LYS 50 -10.902 2.315 -0.124 412 1HB LYS 50 1HB LYS 50 -8.763 2.903 1.363 413 2HB LYS 50 2HB LYS 50 -8.132 3.435 -0.182 414 1HG LYS 50 1HG LYS 50 -9.296 5.363 0.083 415 2HG LYS 50 2HG LYS 50 -10.770 4.441 -0.139 416 1HD LYS 50 1HD LYS 50 -10.426 3.863 2.452 417 2HD LYS 50 2HD LYS 50 -9.452 5.320 2.435 418 1HE LYS 50 1HE LYS 50 -11.353 6.545 2.599 419 2HE LYS 50 2HE LYS 50 -11.807 5.998 0.997 420 1HZ LYS 50 1HZ LYS 50 -13.521 5.221 2.224 421 2HZ LYS 50 2HZ LYS 50 -12.550 3.912 2.330 422 3HZ LYS 50 3HZ LYS 50 -12.638 4.966 3.574 423 H GLY 51 H GLY 51 -7.990 0.923 -1.675 424 1HA GLY 51 1HA GLY 51 -8.101 0.267 -3.949 425 2HA GLY 51 2HA GLY 51 -9.187 1.601 -4.282 426 H PHE 52 H PHE 52 -7.354 3.307 -2.361 427 HA PHE 52 HA PHE 52 -6.069 5.055 -3.145 428 1HB PHE 52 1HB PHE 52 -4.360 2.515 -2.842 429 2HB PHE 52 2HB PHE 52 -3.667 4.124 -2.846 430 HD1 PHE 52 HD1 PHE 52 -4.496 1.577 -0.753 431 HD2 PHE 52 HD2 PHE 52 -5.124 5.757 -1.134 432 HE1 PHE 52 HE1 PHE 52 -4.874 1.746 1.723 433 HE2 PHE 52 HE2 PHE 52 -5.502 5.925 1.342 434 HZ PHE 52 HZ PHE 52 -5.373 3.918 2.740 435 H LYS 53 H LYS 53 -3.493 3.233 -4.441 436 HA LYS 53 HA LYS 53 -4.386 3.164 -7.147 437 1HB LYS 53 1HB LYS 53 -3.546 5.670 -6.266 438 2HB LYS 53 2HB LYS 53 -2.125 5.014 -7.053 439 1HG LYS 53 1HG LYS 53 -4.833 4.786 -8.402 440 2HG LYS 53 2HG LYS 53 -3.943 6.294 -8.487 441 1HD LYS 53 1HD LYS 53 -2.561 5.460 -10.080 442 2HD LYS 53 2HD LYS 53 -2.126 4.103 -9.061 443 1HE LYS 53 1HE LYS 53 -4.524 3.174 -9.778 444 2HE LYS 53 2HE LYS 53 -4.344 4.296 -11.112 445 1HZ LYS 53 1HZ LYS 53 -1.951 3.029 -10.951 446 2HZ LYS 53 2HZ LYS 53 -3.034 1.837 -10.680 447 3HZ LYS 53 3HZ LYS 53 -3.127 2.731 -12.044 448 H VAL 54 H VAL 54 -3.502 1.158 -5.452 449 HA VAL 54 HA VAL 54 -0.721 0.756 -6.304 450 HB VAL 54 HB VAL 54 -1.886 -1.037 -4.283 451 1HG1 VAL 54 1HG1 VAL 54 0.273 -0.749 -3.230 452 2HG1 VAL 54 2HG1 VAL 54 0.510 -1.001 -4.976 453 3HG1 VAL 54 3HG1 VAL 54 0.649 0.634 -4.285 454 1HG2 VAL 54 1HG2 VAL 54 -1.392 0.864 -2.524 455 2HG2 VAL 54 2HG2 VAL 54 -1.818 1.936 -3.880 456 3HG2 VAL 54 3HG2 VAL 54 -2.991 0.732 -3.295 457 H ALA 55 H ALA 55 -0.801 -2.116 -5.832 458 HA ALA 55 HA ALA 55 -2.737 -3.589 -6.908 459 1HB ALA 55 1HB ALA 55 -1.816 -3.634 -9.417 460 2HB ALA 55 2HB ALA 55 -3.094 -2.502 -8.913 461 3HB ALA 55 3HB ALA 55 -1.408 -1.945 -9.036 462 H ARG 56 H ARG 56 -2.035 -5.754 -7.284 463 HA ARG 56 HA ARG 56 -0.031 -6.699 -5.960 464 1HB ARG 56 1HB ARG 56 -1.221 -7.564 -8.590 465 2HB ARG 56 2HB ARG 56 0.214 -8.417 -8.056 466 1HG ARG 56 1HG ARG 56 -1.399 -8.244 -5.738 467 2HG ARG 56 2HG ARG 56 -2.533 -8.582 -7.030 468 1HD ARG 56 1HD ARG 56 -0.400 -10.312 -7.605 469 2HD ARG 56 2HD ARG 56 -0.459 -10.332 -5.854 470 HE ARG 56 HE ARG 56 -3.110 -10.623 -6.504 471 1HH1 ARG 56 1HH1 ARG 56 -0.207 -12.281 -7.603 472 2HH1 ARG 56 2HH1 ARG 56 -1.026 -13.775 -7.919 473 1HH2 ARG 56 1HH2 ARG 56 -4.190 -12.593 -6.922 474 2HH2 ARG 56 2HH2 ARG 56 -3.307 -13.953 -7.529 475 H ARG 57 H ARG 57 0.280 -5.446 -9.346 476 HA ARG 57 HA ARG 57 2.940 -6.076 -9.655 477 1HB ARG 57 1HB ARG 57 1.388 -5.358 -11.495 478 2HB ARG 57 2HB ARG 57 1.379 -3.729 -10.850 479 1HG ARG 57 1HG ARG 57 3.984 -3.824 -11.095 480 2HG ARG 57 2HG ARG 57 3.708 -5.230 -12.104 481 1HD ARG 57 1HD ARG 57 3.568 -3.657 -13.783 482 2HD ARG 57 2HD ARG 57 1.905 -3.531 -13.245 483 HE ARG 57 HE ARG 57 3.688 -1.793 -11.724 484 1HH1 ARG 57 1HH1 ARG 57 1.830 -2.065 -14.699 485 2HH1 ARG 57 2HH1 ARG 57 1.686 -0.353 -14.917 486 1HH2 ARG 57 1HH2 ARG 57 3.499 0.466 -12.010 487 2HH2 ARG 57 2HH2 ARG 57 2.643 1.097 -13.377 488 H THR 58 H THR 58 1.353 -2.963 -8.637 489 HA THR 58 HA THR 58 3.734 -1.554 -8.206 490 HB THR 58 HB THR 58 0.825 -1.329 -7.386 491 HG1 THR 58 HG1 THR 58 2.823 0.388 -8.679 492 1HG2 THR 58 1HG2 THR 58 2.956 0.728 -6.646 493 2HG2 THR 58 2HG2 THR 58 1.235 0.726 -6.192 494 3HG2 THR 58 3HG2 THR 58 2.349 -0.457 -5.465 495 H VAL 59 H VAL 59 1.672 -3.463 -5.927 496 HA VAL 59 HA VAL 59 3.167 -2.926 -3.660 497 HB VAL 59 HB VAL 59 1.854 -5.577 -4.172 498 1HG1 VAL 59 1HG1 VAL 59 1.790 -3.741 -1.756 499 2HG1 VAL 59 2HG1 VAL 59 1.212 -5.422 -1.854 500 3HG1 VAL 59 3HG1 VAL 59 2.953 -5.070 -1.981 501 1HG2 VAL 59 1HG2 VAL 59 -0.205 -4.001 -3.258 502 2HG2 VAL 59 2HG2 VAL 59 0.612 -2.918 -4.410 503 3HG2 VAL 59 3HG2 VAL 59 0.029 -4.512 -4.947 504 H ALA 60 H ALA 60 3.518 -5.511 -6.163 505 HA ALA 60 HA ALA 60 5.516 -6.964 -4.970 506 1HB ALA 60 1HB ALA 60 6.025 -7.723 -7.237 507 2HB ALA 60 2HB ALA 60 4.264 -7.547 -7.047 508 3HB ALA 60 3HB ALA 60 5.193 -6.309 -7.926 509 H LYS 61 H LYS 61 5.716 -3.938 -6.927 510 HA LYS 61 HA LYS 61 8.521 -3.864 -6.994 511 1HB LYS 61 1HB LYS 61 6.623 -2.562 -8.324 512 2HB LYS 61 2HB LYS 61 6.882 -1.360 -7.075 513 1HG LYS 61 1HG LYS 61 8.973 -0.805 -7.851 514 2HG LYS 61 2HG LYS 61 9.397 -2.467 -8.209 515 1HD LYS 61 1HD LYS 61 7.404 -0.911 -9.911 516 2HD LYS 61 2HD LYS 61 9.127 -0.860 -10.224 517 1HE LYS 61 1HE LYS 61 9.174 -3.335 -10.494 518 2HE LYS 61 2HE LYS 61 7.464 -3.423 -10.119 519 1HZ LYS 61 1HZ LYS 61 7.795 -1.558 -12.137 520 2HZ LYS 61 2HZ LYS 61 8.650 -2.881 -12.566 521 3HZ LYS 61 3HZ LYS 61 7.058 -3.013 -12.226 522 H TYR 62 H TYR 62 6.063 -2.529 -4.718 523 HA TYR 62 HA TYR 62 7.915 -1.110 -3.147 524 1HB TYR 62 1HB TYR 62 5.125 -2.341 -2.872 525 2HB TYR 62 2HB TYR 62 5.860 -1.585 -1.473 526 HD1 TYR 62 HD1 TYR 62 4.749 0.420 -1.077 527 HD2 TYR 62 HD2 TYR 62 5.835 -0.585 -5.091 528 HE1 TYR 62 HE1 TYR 62 3.922 2.688 -1.876 529 HE2 TYR 62 HE2 TYR 62 5.005 1.686 -5.877 530 HH TYR 62 HH TYR 62 3.056 3.404 -4.675 531 H ARG 63 H ARG 63 6.617 -4.470 -3.018 532 HA ARG 63 HA ARG 63 7.452 -5.167 -0.553 533 1HB ARG 63 1HB ARG 63 6.162 -6.583 -2.242 534 2HB ARG 63 2HB ARG 63 7.683 -6.933 -3.041 535 1HG ARG 63 1HG ARG 63 7.527 -7.422 -0.071 536 2HG ARG 63 2HG ARG 63 6.673 -8.537 -1.119 537 1HD ARG 63 1HD ARG 63 9.042 -8.438 -2.460 538 2HD ARG 63 2HD ARG 63 9.629 -8.067 -0.851 539 HE ARG 63 HE ARG 63 8.705 -10.640 -1.773 540 1HH1 ARG 63 1HH1 ARG 63 8.700 -8.567 1.071 541 2HH1 ARG 63 2HH1 ARG 63 8.573 -9.884 2.188 542 1HH2 ARG 63 1HH2 ARG 63 8.539 -12.378 -0.299 543 2HH2 ARG 63 2HH2 ARG 63 8.481 -12.067 1.404 544 H GLU 64 H GLU 64 9.346 -5.006 -3.618 545 HA GLU 64 HA GLU 64 11.651 -6.156 -2.502 546 1HB GLU 64 1HB GLU 64 10.764 -5.349 -5.063 547 2HB GLU 64 2HB GLU 64 12.180 -4.363 -4.755 548 1HG GLU 64 1HG GLU 64 13.556 -6.332 -4.323 549 2HG GLU 64 2HG GLU 64 12.154 -7.384 -4.327 550 H MET 65 H MET 65 10.421 -2.806 -2.895 551 HA MET 65 HA MET 65 12.817 -1.569 -2.159 552 1HB MET 65 1HB MET 65 9.884 -0.681 -2.036 553 2HB MET 65 2HB MET 65 11.220 0.412 -1.734 554 1HG MET 65 1HG MET 65 12.125 -0.369 -4.070 555 2HG MET 65 2HG MET 65 10.516 -1.011 -4.330 556 1HE MET 65 1HE MET 65 9.358 0.469 -6.093 557 2HE MET 65 2HE MET 65 8.429 0.261 -4.590 558 3HE MET 65 3HE MET 65 8.486 1.851 -5.388 559 H LEU 66 H LEU 66 10.002 -2.820 -0.330 560 HA LEU 66 HA LEU 66 10.937 -1.650 2.128 561 1HB LEU 66 1HB LEU 66 8.621 -3.383 1.320 562 2HB LEU 66 2HB LEU 66 9.020 -3.152 3.011 563 HG LEU 66 HG LEU 66 8.468 -0.887 2.984 564 1HD1 LEU 66 1HD1 LEU 66 8.271 0.521 1.053 565 2HD1 LEU 66 2HD1 LEU 66 9.824 -0.343 0.962 566 3HD1 LEU 66 3HD1 LEU 66 8.453 -0.868 -0.044 567 1HD2 LEU 66 1HD2 LEU 66 6.620 -2.673 1.541 568 2HD2 LEU 66 2HD2 LEU 66 6.355 -1.641 2.967 569 3HD2 LEU 66 3HD2 LEU 66 6.299 -0.934 1.335 570 H GLY 67 H GLY 67 10.120 -5.089 1.304 571 1HA GLY 67 1HA GLY 67 11.952 -6.081 3.257 572 2HA GLY 67 2HA GLY 67 11.025 -7.004 2.092 Start of MODEL 3 1 1H THR 1 1H THR 1 -27.757 35.319 0.789 2 HA THR 1 HA THR 1 -28.274 36.749 2.545 3 HB THR 1 HB THR 1 -30.683 37.338 2.099 4 HG1 THR 1 HG1 THR 1 -30.480 34.864 0.533 5 1HG2 THR 1 1HG2 THR 1 -30.187 36.578 -0.636 6 2HG2 THR 1 2HG2 THR 1 -29.984 38.187 0.098 7 3HG2 THR 1 3HG2 THR 1 -28.624 37.039 0.081 8 H TYR 2 H TYR 2 -27.711 34.271 3.783 9 HA TYR 2 HA TYR 2 -28.972 34.647 6.225 10 1HB TYR 2 1HB TYR 2 -30.341 32.987 4.175 11 2HB TYR 2 2HB TYR 2 -29.983 32.040 5.605 12 HD1 TYR 2 HD1 TYR 2 -30.415 33.806 7.843 13 HD2 TYR 2 HD2 TYR 2 -32.585 33.570 4.164 14 HE1 TYR 2 HE1 TYR 2 -32.472 34.765 8.987 15 HE2 TYR 2 HE2 TYR 2 -34.636 34.530 5.320 16 HH TYR 2 HH TYR 2 -34.747 36.189 7.700 17 H SER 3 H SER 3 -28.078 31.747 4.213 18 HA SER 3 HA SER 3 -25.597 31.512 5.492 19 1HB SER 3 1HB SER 3 -25.950 29.501 6.811 20 2HB SER 3 2HB SER 3 -27.076 30.727 7.360 21 HG SER 3 HG SER 3 -28.338 28.915 7.139 22 H LEU 4 H LEU 4 -24.626 29.181 4.896 23 HA LEU 4 HA LEU 4 -25.894 28.054 2.551 24 1HB LEU 4 1HB LEU 4 -24.066 28.410 1.077 25 2HB LEU 4 2HB LEU 4 -24.609 29.961 1.685 26 HG LEU 4 HG LEU 4 -22.655 29.570 3.449 27 1HD1 LEU 4 1HD1 LEU 4 -20.895 28.238 2.816 28 2HD1 LEU 4 2HD1 LEU 4 -22.273 27.266 2.245 29 3HD1 LEU 4 3HD1 LEU 4 -21.347 28.260 1.094 30 1HD2 LEU 4 1HD2 LEU 4 -21.967 31.415 2.435 31 2HD2 LEU 4 2HD2 LEU 4 -21.293 30.444 1.105 32 3HD2 LEU 4 3HD2 LEU 4 -22.973 31.025 1.019 33 H ARG 5 H ARG 5 -25.374 25.883 2.271 34 HA ARG 5 HA ARG 5 -23.972 24.766 4.501 35 1HB ARG 5 1HB ARG 5 -24.839 22.611 3.688 36 2HB ARG 5 2HB ARG 5 -26.135 23.790 3.677 37 1HG ARG 5 1HG ARG 5 -25.648 24.212 1.216 38 2HG ARG 5 2HG ARG 5 -24.477 22.909 1.267 39 1HD ARG 5 1HD ARG 5 -27.018 22.032 2.429 40 2HD ARG 5 2HD ARG 5 -27.278 22.682 0.822 41 HE ARG 5 HE ARG 5 -25.979 20.931 -0.102 42 1HH1 ARG 5 1HH1 ARG 5 -25.781 20.896 3.411 43 2HH1 ARG 5 2HH1 ARG 5 -25.040 19.332 3.481 44 1HH2 ARG 5 1HH2 ARG 5 -25.002 18.867 -0.010 45 2HH2 ARG 5 2HH2 ARG 5 -24.594 18.170 1.522 46 H THR 6 H THR 6 -22.310 22.975 4.116 47 HA THR 6 HA THR 6 -20.513 23.822 1.976 48 HB THR 6 HB THR 6 -18.841 22.573 3.333 49 HG1 THR 6 HG1 THR 6 -19.696 21.416 5.180 50 1HG2 THR 6 1HG2 THR 6 -20.653 24.046 5.301 51 2HG2 THR 6 2HG2 THR 6 -18.882 23.878 5.362 52 3HG2 THR 6 3HG2 THR 6 -19.635 24.918 4.130 53 H PHE 7 H PHE 7 -19.030 21.584 1.471 54 HA PHE 7 HA PHE 7 -20.935 19.542 0.650 55 1HB PHE 7 1HB PHE 7 -20.330 19.788 -1.667 56 2HB PHE 7 2HB PHE 7 -20.480 21.447 -1.124 57 HD1 PHE 7 HD1 PHE 7 -18.295 22.603 -0.324 58 HD2 PHE 7 HD2 PHE 7 -18.365 19.082 -2.692 59 HE1 PHE 7 HE1 PHE 7 -15.944 23.061 -1.076 60 HE2 PHE 7 HE2 PHE 7 -16.014 19.540 -3.443 61 HZ PHE 7 HZ PHE 7 -14.832 21.525 -2.626 62 H PHE 8 H PHE 8 -19.579 17.694 -0.545 63 HA PHE 8 HA PHE 8 -16.875 17.421 -0.050 64 1HB PHE 8 1HB PHE 8 -17.257 17.362 2.319 65 2HB PHE 8 2HB PHE 8 -18.831 16.613 2.137 66 HD1 PHE 8 HD1 PHE 8 -15.215 16.001 2.215 67 HD2 PHE 8 HD2 PHE 8 -19.057 14.218 1.968 68 HE1 PHE 8 HE1 PHE 8 -14.204 13.756 2.704 69 HE2 PHE 8 HE2 PHE 8 -18.047 11.973 2.458 70 HZ PHE 8 HZ PHE 8 -15.633 11.769 2.820 71 H VAL 9 H VAL 9 -16.107 15.162 -0.458 72 HA VAL 9 HA VAL 9 -18.165 13.360 -1.437 73 HB VAL 9 HB VAL 9 -15.932 14.478 -3.141 74 1HG1 VAL 9 1HG1 VAL 9 -17.800 12.713 -4.505 75 2HG1 VAL 9 2HG1 VAL 9 -16.020 12.683 -4.471 76 3HG1 VAL 9 3HG1 VAL 9 -16.949 11.871 -3.187 77 1HG2 VAL 9 1HG2 VAL 9 -17.801 15.159 -4.638 78 2HG2 VAL 9 2HG2 VAL 9 -18.954 14.618 -3.394 79 3HG2 VAL 9 3HG2 VAL 9 -17.842 15.965 -3.052 80 H ARG 10 H ARG 10 -14.934 12.897 -2.620 81 HA ARG 10 HA ARG 10 -13.763 11.826 -0.368 82 1HB ARG 10 1HB ARG 10 -15.740 10.082 -1.587 83 2HB ARG 10 2HB ARG 10 -14.155 9.374 -1.828 84 1HG ARG 10 1HG ARG 10 -13.679 9.430 0.567 85 2HG ARG 10 2HG ARG 10 -15.113 10.386 0.887 86 1HD ARG 10 1HD ARG 10 -15.127 7.541 -0.236 87 2HD ARG 10 2HD ARG 10 -15.439 7.959 1.437 88 HE ARG 10 HE ARG 10 -17.163 9.415 -0.421 89 1HH1 ARG 10 1HH1 ARG 10 -16.766 6.400 1.349 90 2HH1 ARG 10 2HH1 ARG 10 -18.457 6.026 1.345 91 1HH2 ARG 10 1HH2 ARG 10 -19.394 8.923 -0.427 92 2HH2 ARG 10 2HH2 ARG 10 -19.962 7.471 0.328 93 H GLU 11 H GLU 11 -14.170 10.511 -3.744 94 HA GLU 11 HA GLU 11 -12.848 10.583 -5.487 95 1HB GLU 11 1HB GLU 11 -12.013 12.883 -4.183 96 2HB GLU 11 2HB GLU 11 -10.512 11.988 -4.316 97 1HG GLU 11 1HG GLU 11 -11.631 11.625 -6.842 98 2HG GLU 11 2HG GLU 11 -12.148 13.251 -6.444 99 H SER 12 H SER 12 -10.649 9.648 -6.243 100 HA SER 12 HA SER 12 -10.252 7.251 -5.011 101 1HB SER 12 1HB SER 12 -8.483 8.887 -6.865 102 2HB SER 12 2HB SER 12 -8.024 7.279 -6.343 103 HG SER 12 HG SER 12 -10.662 7.477 -7.310 104 H ALA 13 H ALA 13 -7.598 6.714 -4.520 105 HA ALA 13 HA ALA 13 -7.181 7.331 -1.942 106 1HB ALA 13 1HB ALA 13 -5.007 7.073 -4.059 107 2HB ALA 13 2HB ALA 13 -4.854 6.713 -2.322 108 3HB ALA 13 3HB ALA 13 -5.901 5.706 -3.350 109 H GLU 14 H GLU 14 -5.532 8.784 -0.875 110 HA GLU 14 HA GLU 14 -6.143 11.407 -1.418 111 1HB GLU 14 1HB GLU 14 -4.862 10.022 0.610 112 2HB GLU 14 2HB GLU 14 -3.543 10.963 -0.057 113 1HG GLU 14 1HG GLU 14 -4.853 13.049 0.201 114 2HG GLU 14 2HG GLU 14 -6.240 12.139 0.766 115 H GLY 15 H GLY 15 -4.173 13.127 -1.671 116 1HA GLY 15 1HA GLY 15 -3.148 12.658 -4.329 117 2HA GLY 15 2HA GLY 15 -3.025 14.120 -3.370 118 H LEU 16 H LEU 16 -2.131 11.533 -1.373 119 HA LEU 16 HA LEU 16 0.393 12.287 -0.897 120 1HB LEU 16 1HB LEU 16 0.801 9.871 -0.273 121 2HB LEU 16 2HB LEU 16 -0.536 10.695 0.504 122 HG LEU 16 HG LEU 16 -2.151 9.465 -0.642 123 1HD1 LEU 16 1HD1 LEU 16 -1.528 9.737 -2.903 124 2HD1 LEU 16 2HD1 LEU 16 -0.006 8.842 -2.677 125 3HD1 LEU 16 3HD1 LEU 16 -1.563 7.981 -2.615 126 1HD2 LEU 16 1HD2 LEU 16 0.206 7.630 -0.146 127 2HD2 LEU 16 2HD2 LEU 16 -1.096 8.063 0.987 128 3HD2 LEU 16 3HD2 LEU 16 -1.457 7.073 -0.448 129 H THR 17 H THR 17 2.537 11.533 -1.556 130 HA THR 17 HA THR 17 2.634 11.214 -4.441 131 HB THR 17 HB THR 17 5.159 11.549 -3.863 132 HG1 THR 17 HG1 THR 17 4.109 12.617 -1.415 133 1HG2 THR 17 1HG2 THR 17 3.685 13.476 -4.574 134 2HG2 THR 17 2HG2 THR 17 3.197 13.686 -2.875 135 3HG2 THR 17 3HG2 THR 17 4.889 13.957 -3.356 136 H GLN 18 H GLN 18 4.158 9.645 -5.437 137 HA GLN 18 HA GLN 18 3.440 7.102 -4.743 138 1HB GLN 18 1HB GLN 18 5.798 8.156 -6.352 139 2HB GLN 18 2HB GLN 18 5.448 6.443 -6.221 140 1HG GLN 18 1HG GLN 18 3.590 6.575 -7.578 141 2HG GLN 18 2HG GLN 18 3.092 8.124 -6.929 142 1HE2 GLN 18 1HE2 GLN 18 2.754 8.031 -9.452 143 2HE2 GLN 18 2HE2 GLN 18 3.975 8.831 -10.384 144 H GLY 19 H GLY 19 6.122 9.136 -3.593 145 1HA GLY 19 1HA GLY 19 7.659 7.045 -2.424 146 2HA GLY 19 2HA GLY 19 7.783 8.765 -2.112 147 H GLU 20 H GLU 20 4.979 9.183 -1.318 148 HA GLU 20 HA GLU 20 5.270 8.540 1.383 149 1HB GLU 20 1HB GLU 20 3.508 10.128 -0.280 150 2HB GLU 20 2HB GLU 20 2.536 9.191 0.836 151 1HG GLU 20 1HG GLU 20 4.925 10.908 1.659 152 2HG GLU 20 2HG GLU 20 3.255 11.430 1.758 153 H LEU 21 H LEU 21 3.416 7.102 -1.334 154 HA LEU 21 HA LEU 21 1.815 5.403 0.188 155 1HB LEU 21 1HB LEU 21 1.951 6.083 -2.396 156 2HB LEU 21 2HB LEU 21 2.777 4.540 -2.488 157 HG LEU 21 HG LEU 21 0.645 3.852 -2.891 158 1HD1 LEU 21 1HD1 LEU 21 1.547 2.837 -0.721 159 2HD1 LEU 21 2HD1 LEU 21 0.365 3.875 0.112 160 3HD1 LEU 21 3HD1 LEU 21 -0.192 2.655 -1.058 161 1HD2 LEU 21 1HD2 LEU 21 -1.091 5.189 -1.072 162 2HD2 LEU 21 2HD2 LEU 21 -0.049 6.410 -1.841 163 3HD2 LEU 21 3HD2 LEU 21 -1.022 5.310 -2.847 164 H MET 22 H MET 22 5.174 5.109 -1.043 165 HA MET 22 HA MET 22 5.547 2.449 -0.594 166 1HB MET 22 1HB MET 22 7.439 4.835 -0.221 167 2HB MET 22 2HB MET 22 7.999 3.174 -0.232 168 1HG MET 22 1HG MET 22 6.527 3.173 -2.544 169 2HG MET 22 2HG MET 22 7.007 4.858 -2.503 170 1HE MET 22 1HE MET 22 8.909 1.047 -2.979 171 2HE MET 22 2HE MET 22 9.917 1.567 -1.607 172 3HE MET 22 3HE MET 22 8.144 1.540 -1.449 173 H LYS 23 H LYS 23 6.315 5.171 1.702 174 HA LYS 23 HA LYS 23 7.012 3.502 3.823 175 1HB LYS 23 1HB LYS 23 6.456 6.370 3.393 176 2HB LYS 23 2HB LYS 23 6.147 5.809 5.023 177 1HG LYS 23 1HG LYS 23 8.548 4.563 4.529 178 2HG LYS 23 2HG LYS 23 8.734 5.997 3.539 179 1HD LYS 23 1HD LYS 23 7.592 6.661 6.164 180 2HD LYS 23 2HD LYS 23 9.116 5.813 6.333 181 1HE LYS 23 1HE LYS 23 9.279 7.819 4.199 182 2HE LYS 23 2HE LYS 23 8.754 8.553 5.701 183 1HZ LYS 23 1HZ LYS 23 10.890 6.695 6.033 184 2HZ LYS 23 2HZ LYS 23 11.286 7.966 5.086 185 3HZ LYS 23 3HZ LYS 23 10.736 8.217 6.604 186 H LEU 24 H LEU 24 3.894 4.509 2.502 187 HA LEU 24 HA LEU 24 2.371 3.981 4.812 188 1HB LEU 24 1HB LEU 24 1.896 4.521 1.945 189 2HB LEU 24 2HB LEU 24 0.636 3.618 2.764 190 HG LEU 24 HG LEU 24 1.677 6.152 3.998 191 1HD1 LEU 24 1HD1 LEU 24 0.013 7.459 2.763 192 2HD1 LEU 24 2HD1 LEU 24 1.232 6.752 1.676 193 3HD1 LEU 24 3HD1 LEU 24 -0.390 6.028 1.785 194 1HD2 LEU 24 1HD2 LEU 24 -0.080 4.352 4.926 195 2HD2 LEU 24 2HD2 LEU 24 -0.181 6.091 5.289 196 3HD2 LEU 24 3HD2 LEU 24 -1.194 5.390 4.004 197 H ILE 25 H ILE 25 3.440 1.996 2.003 198 HA ILE 25 HA ILE 25 1.926 -0.264 2.713 199 HB ILE 25 HB ILE 25 4.080 0.430 0.823 200 1HG1 ILE 25 1HG1 ILE 25 1.658 -1.353 0.487 201 2HG1 ILE 25 2HG1 ILE 25 1.579 0.394 0.379 202 1HG2 ILE 25 1HG2 ILE 25 5.051 -1.532 1.987 203 2HG2 ILE 25 2HG2 ILE 25 3.600 -2.470 1.560 204 3HG2 ILE 25 3HG2 ILE 25 4.666 -1.846 0.278 205 1HD1 ILE 25 1HD1 ILE 25 3.718 -0.958 -1.238 206 2HD1 ILE 25 2HD1 ILE 25 2.035 -1.157 -1.780 207 3HD1 ILE 25 3HD1 ILE 25 2.733 0.473 -1.628 208 H LYS 26 H LYS 26 5.294 0.806 3.456 209 HA LYS 26 HA LYS 26 5.968 -1.540 4.855 210 1HB LYS 26 1HB LYS 26 7.395 0.472 3.853 211 2HB LYS 26 2HB LYS 26 7.250 1.090 5.486 212 1HG LYS 26 1HG LYS 26 7.975 -1.809 5.239 213 2HG LYS 26 2HG LYS 26 9.194 -0.666 4.713 214 1HD LYS 26 1HD LYS 26 9.594 0.103 6.845 215 2HD LYS 26 2HD LYS 26 7.903 0.043 7.300 216 1HE LYS 26 1HE LYS 26 8.241 -1.922 8.379 217 2HE LYS 26 2HE LYS 26 8.772 -2.672 6.887 218 1HZ LYS 26 1HZ LYS 26 10.865 -2.534 7.540 219 2HZ LYS 26 2HZ LYS 26 10.749 -0.969 7.993 220 3HZ LYS 26 3HZ LYS 26 10.320 -2.154 9.032 221 H GLU 27 H GLU 27 4.186 1.412 5.685 222 HA GLU 27 HA GLU 27 4.456 1.264 8.425 223 1HB GLU 27 1HB GLU 27 2.679 2.605 6.480 224 2HB GLU 27 2HB GLU 27 1.898 2.295 8.018 225 1HG GLU 27 1HG GLU 27 4.667 3.333 8.288 226 2HG GLU 27 2HG GLU 27 3.582 4.444 7.473 227 H ILE 28 H ILE 28 2.240 -0.403 6.147 228 HA ILE 28 HA ILE 28 0.543 -1.466 8.123 229 HB ILE 28 HB ILE 28 1.053 -1.852 5.234 230 1HG1 ILE 28 1HG1 ILE 28 -1.692 -1.978 5.968 231 2HG1 ILE 28 2HG1 ILE 28 -0.955 -0.732 6.956 232 1HG2 ILE 28 1HG2 ILE 28 1.137 -4.164 6.001 233 2HG2 ILE 28 2HG2 ILE 28 -0.394 -3.943 6.883 234 3HG2 ILE 28 3HG2 ILE 28 -0.368 -3.845 5.106 235 1HD1 ILE 28 1HD1 ILE 28 -1.779 0.165 4.777 236 2HD1 ILE 28 2HD1 ILE 28 -0.019 0.364 4.950 237 3HD1 ILE 28 3HD1 ILE 28 -0.671 -0.935 3.922 238 H VAL 29 H VAL 29 3.645 -2.509 6.669 239 HA VAL 29 HA VAL 29 3.534 -5.060 7.982 240 HB VAL 29 HB VAL 29 6.026 -3.878 6.833 241 1HG1 VAL 29 1HG1 VAL 29 4.842 -6.556 7.301 242 2HG1 VAL 29 2HG1 VAL 29 5.752 -6.366 5.783 243 3HG1 VAL 29 3HG1 VAL 29 6.541 -6.024 7.341 244 1HG2 VAL 29 1HG2 VAL 29 4.929 -3.241 4.970 245 2HG2 VAL 29 2HG2 VAL 29 4.854 -4.984 4.616 246 3HG2 VAL 29 3HG2 VAL 29 3.471 -4.172 5.389 247 H GLU 30 H GLU 30 3.908 -1.942 9.095 248 HA GLU 30 HA GLU 30 6.165 -2.282 10.738 249 1HB GLU 30 1HB GLU 30 4.747 -0.125 9.922 250 2HB GLU 30 2HB GLU 30 4.006 -0.339 11.495 251 1HG GLU 30 1HG GLU 30 6.634 -0.614 12.198 252 2HG GLU 30 2HG GLU 30 6.818 0.436 10.808 253 H ASN 31 H ASN 31 2.733 -3.106 10.978 254 HA ASN 31 HA ASN 31 3.318 -4.212 13.600 255 1HB ASN 31 1HB ASN 31 0.668 -2.873 12.849 256 2HB ASN 31 2HB ASN 31 1.089 -3.528 14.419 257 1HD2 ASN 31 1HD2 ASN 31 2.825 -2.559 15.615 258 2HD2 ASN 31 2HD2 ASN 31 3.190 -0.875 15.441 259 H GLU 32 H GLU 32 3.562 -5.784 11.382 260 HA GLU 32 HA GLU 32 1.206 -6.781 10.320 261 1HB GLU 32 1HB GLU 32 2.589 -8.562 9.409 262 2HB GLU 32 2HB GLU 32 3.495 -7.064 9.337 263 1HG GLU 32 1HG GLU 32 5.101 -7.841 10.757 264 2HG GLU 32 2HG GLU 32 3.917 -8.446 11.898 265 H ASP 33 H ASP 33 1.684 -9.687 10.685 266 HA ASP 33 HA ASP 33 1.381 -10.130 13.485 267 1HB ASP 33 1HB ASP 33 -0.941 -9.570 12.041 268 2HB ASP 33 2HB ASP 33 -0.886 -11.320 11.984 269 H LYS 34 H LYS 34 1.681 -12.427 13.965 270 HA LYS 34 HA LYS 34 3.253 -13.847 12.235 271 1HB LYS 34 1HB LYS 34 2.466 -15.841 13.710 272 2HB LYS 34 2HB LYS 34 3.380 -14.533 14.431 273 1HG LYS 34 1HG LYS 34 0.550 -13.856 14.467 274 2HG LYS 34 2HG LYS 34 0.771 -15.451 15.160 275 1HD LYS 34 1HD LYS 34 2.853 -14.121 16.357 276 2HD LYS 34 2HD LYS 34 1.722 -12.797 16.160 277 1HE LYS 34 1HE LYS 34 -0.061 -14.391 17.199 278 2HE LYS 34 2HE LYS 34 1.288 -15.407 17.667 279 1HZ LYS 34 1HZ LYS 34 2.180 -13.659 18.942 280 2HZ LYS 34 2HZ LYS 34 1.132 -12.556 18.347 281 3HZ LYS 34 3HZ LYS 34 0.597 -13.742 19.334 282 H ARG 35 H ARG 35 -0.079 -14.988 13.087 283 HA ARG 35 HA ARG 35 -0.220 -16.453 10.716 284 1HB ARG 35 1HB ARG 35 -1.770 -16.116 13.132 285 2HB ARG 35 2HB ARG 35 -2.865 -15.940 11.776 286 1HG ARG 35 1HG ARG 35 -0.895 -18.213 11.659 287 2HG ARG 35 2HG ARG 35 -2.212 -18.357 12.806 288 1HD ARG 35 1HD ARG 35 -3.125 -17.396 10.162 289 2HD ARG 35 2HD ARG 35 -2.343 -18.961 10.070 290 HE ARG 35 HE ARG 35 -4.928 -18.417 11.230 291 1HH1 ARG 35 1HH1 ARG 35 -2.080 -20.438 11.662 292 2HH1 ARG 35 2HH1 ARG 35 -2.946 -21.709 12.460 293 1HH2 ARG 35 1HH2 ARG 35 -6.071 -20.093 12.283 294 2HH2 ARG 35 2HH2 ARG 35 -5.231 -21.511 12.815 295 H LYS 36 H LYS 36 -0.442 -13.127 11.271 296 HA LYS 36 HA LYS 36 -1.985 -12.785 8.805 297 1HB LYS 36 1HB LYS 36 -2.768 -11.944 11.445 298 2HB LYS 36 2HB LYS 36 -2.461 -10.528 10.459 299 1HG LYS 36 1HG LYS 36 -3.843 -12.060 8.653 300 2HG LYS 36 2HG LYS 36 -4.553 -12.646 10.144 301 1HD LYS 36 1HD LYS 36 -5.156 -10.347 10.815 302 2HD LYS 36 2HD LYS 36 -4.331 -9.688 9.417 303 1HE LYS 36 1HE LYS 36 -5.911 -10.876 7.900 304 2HE LYS 36 2HE LYS 36 -6.718 -11.593 9.280 305 1HZ LYS 36 1HZ LYS 36 -7.469 -9.326 8.192 306 2HZ LYS 36 2HZ LYS 36 -7.723 -9.670 9.768 307 3HZ LYS 36 3HZ LYS 36 -6.464 -8.727 9.331 308 HA PRO 37 HA PRO 37 2.014 -10.761 8.508 309 1HB PRO 37 1HB PRO 37 2.677 -11.691 6.025 310 2HB PRO 37 2HB PRO 37 3.167 -12.486 7.508 311 1HG PRO 37 1HG PRO 37 1.065 -13.280 5.587 312 2HG PRO 37 2HG PRO 37 1.852 -14.250 6.817 313 1HD PRO 37 1HD PRO 37 -0.781 -13.120 6.947 314 2HD PRO 37 2HD PRO 37 0.050 -13.990 8.221 315 H TYR 38 H TYR 38 2.867 -9.801 6.012 316 HA TYR 38 HA TYR 38 0.592 -8.368 4.954 317 1HB TYR 38 1HB TYR 38 2.782 -7.295 6.765 318 2HB TYR 38 2HB TYR 38 2.323 -6.272 5.418 319 HD1 TYR 38 HD1 TYR 38 1.981 -6.062 8.611 320 HD2 TYR 38 HD2 TYR 38 -0.639 -6.883 5.329 321 HE1 TYR 38 HE1 TYR 38 0.012 -5.174 9.951 322 HE2 TYR 38 HE2 TYR 38 -2.599 -5.993 6.681 323 HH TYR 38 HH TYR 38 -3.036 -4.566 8.489 324 H SER 39 H SER 39 1.934 -10.227 3.543 325 HA SER 39 HA SER 39 4.245 -9.159 2.316 326 1HB SER 39 1HB SER 39 2.486 -11.400 1.246 327 2HB SER 39 2HB SER 39 4.192 -11.146 0.937 328 HG SER 39 HG SER 39 2.975 -11.875 3.463 329 H ASP 40 H ASP 40 4.131 -9.311 -0.349 330 HA ASP 40 HA ASP 40 2.963 -7.066 -1.190 331 1HB ASP 40 1HB ASP 40 2.838 -8.387 -3.506 332 2HB ASP 40 2HB ASP 40 4.382 -7.982 -2.783 333 H GLN 41 H GLN 41 1.522 -10.313 -0.776 334 HA GLN 41 HA GLN 41 -0.774 -9.868 -2.288 335 1HB GLN 41 1HB GLN 41 -0.355 -12.124 -1.820 336 2HB GLN 41 2HB GLN 41 0.053 -11.817 -0.144 337 1HG GLN 41 1HG GLN 41 -2.091 -12.856 -0.051 338 2HG GLN 41 2HG GLN 41 -2.420 -11.154 0.203 339 1HE2 GLN 41 1HE2 GLN 41 -4.554 -11.542 -0.490 340 2HE2 GLN 41 2HE2 GLN 41 -4.968 -11.658 -2.168 341 H GLU 42 H GLU 42 -0.637 -10.200 1.332 342 HA GLU 42 HA GLU 42 -3.021 -9.197 1.919 343 1HB GLU 42 1HB GLU 42 -0.885 -9.940 3.390 344 2HB GLU 42 2HB GLU 42 -0.747 -8.208 3.619 345 1HG GLU 42 1HG GLU 42 -2.151 -9.350 5.381 346 2HG GLU 42 2HG GLU 42 -2.993 -8.062 4.542 347 H ILE 43 H ILE 43 -0.038 -7.102 1.963 348 HA ILE 43 HA ILE 43 -1.228 -4.698 2.259 349 HB ILE 43 HB ILE 43 1.273 -5.705 1.106 350 1HG1 ILE 43 1HG1 ILE 43 1.099 -3.174 2.656 351 2HG1 ILE 43 2HG1 ILE 43 0.537 -4.621 3.469 352 1HG2 ILE 43 1HG2 ILE 43 0.508 -4.260 -0.748 353 2HG2 ILE 43 2HG2 ILE 43 0.372 -2.901 0.393 354 3HG2 ILE 43 3HG2 ILE 43 1.961 -3.633 0.066 355 1HD1 ILE 43 1HD1 ILE 43 2.959 -5.344 2.132 356 2HD1 ILE 43 2HD1 ILE 43 3.257 -3.789 2.945 357 3HD1 ILE 43 3HD1 ILE 43 2.686 -5.189 3.884 358 H ALA 44 H ALA 44 -0.717 -6.469 -0.861 359 HA ALA 44 HA ALA 44 -1.834 -4.523 -2.497 360 1HB ALA 44 1HB ALA 44 -2.222 -6.546 -4.023 361 2HB ALA 44 2HB ALA 44 -0.553 -6.286 -3.462 362 3HB ALA 44 3HB ALA 44 -1.563 -7.539 -2.701 363 H ASN 45 H ASN 45 -3.313 -7.259 -0.667 364 HA ASN 45 HA ASN 45 -5.838 -6.994 -1.742 365 1HB ASN 45 1HB ASN 45 -5.303 -7.787 1.155 366 2HB ASN 45 2HB ASN 45 -6.565 -8.387 0.098 367 1HD2 ASN 45 1HD2 ASN 45 -4.553 -8.381 -2.167 368 2HD2 ASN 45 2HD2 ASN 45 -3.639 -9.839 -1.975 369 H ILE 46 H ILE 46 -4.142 -5.411 1.015 370 HA ILE 46 HA ILE 46 -6.253 -4.213 2.284 371 HB ILE 46 HB ILE 46 -3.415 -3.298 1.844 372 1HG1 ILE 46 1HG1 ILE 46 -4.805 -4.732 4.124 373 2HG1 ILE 46 2HG1 ILE 46 -3.603 -5.400 3.037 374 1HG2 ILE 46 1HG2 ILE 46 -3.960 -1.927 3.991 375 2HG2 ILE 46 2HG2 ILE 46 -4.401 -1.282 2.392 376 3HG2 ILE 46 3HG2 ILE 46 -5.641 -2.040 3.418 377 1HD1 ILE 46 1HD1 ILE 46 -2.263 -3.178 3.955 378 2HD1 ILE 46 2HD1 ILE 46 -3.247 -3.599 5.377 379 3HD1 ILE 46 3HD1 ILE 46 -2.129 -4.797 4.682 380 H LEU 47 H LEU 47 -4.444 -3.133 -0.647 381 HA LEU 47 HA LEU 47 -5.584 -0.658 -0.941 382 1HB LEU 47 1HB LEU 47 -4.608 -0.638 -2.972 383 2HB LEU 47 2HB LEU 47 -3.744 -1.986 -2.261 384 HG LEU 47 HG LEU 47 -5.777 -3.345 -3.397 385 1HD1 LEU 47 1HD1 LEU 47 -6.624 -2.441 -5.342 386 2HD1 LEU 47 2HD1 LEU 47 -6.581 -1.019 -4.272 387 3HD1 LEU 47 3HD1 LEU 47 -5.308 -1.251 -5.495 388 1HD2 LEU 47 1HD2 LEU 47 -3.753 -2.770 -5.412 389 2HD2 LEU 47 2HD2 LEU 47 -3.048 -3.048 -3.802 390 3HD2 LEU 47 3HD2 LEU 47 -4.106 -4.277 -4.535 391 H LYS 48 H LYS 48 -6.924 -3.898 -1.632 392 HA LYS 48 HA LYS 48 -9.084 -3.111 -3.178 393 1HB LYS 48 1HB LYS 48 -8.131 -5.462 -2.567 394 2HB LYS 48 2HB LYS 48 -9.229 -5.381 -1.205 395 1HG LYS 48 1HG LYS 48 -11.144 -4.986 -2.743 396 2HG LYS 48 2HG LYS 48 -10.060 -4.994 -4.120 397 1HD LYS 48 1HD LYS 48 -9.364 -7.365 -3.436 398 2HD LYS 48 2HD LYS 48 -10.650 -7.330 -2.247 399 1HE LYS 48 1HE LYS 48 -12.177 -6.634 -4.301 400 2HE LYS 48 2HE LYS 48 -10.874 -7.291 -5.271 401 1HZ LYS 48 1HZ LYS 48 -12.248 -8.752 -3.123 402 2HZ LYS 48 2HZ LYS 48 -12.544 -8.936 -4.718 403 3HZ LYS 48 3HZ LYS 48 -11.091 -9.357 -4.104 404 H GLU 49 H GLU 49 -8.336 -2.457 0.142 405 HA GLU 49 HA GLU 49 -10.927 -2.348 1.146 406 1HB GLU 49 1HB GLU 49 -8.396 -0.859 1.968 407 2HB GLU 49 2HB GLU 49 -9.874 -0.858 2.910 408 1HG GLU 49 1HG GLU 49 -9.213 -3.598 2.211 409 2HG GLU 49 2HG GLU 49 -7.794 -2.833 2.900 410 H LYS 50 H LYS 50 -9.707 -0.672 -1.433 411 HA LYS 50 HA LYS 50 -10.411 1.088 -2.568 412 1HB LYS 50 1HB LYS 50 -12.672 0.420 -2.114 413 2HB LYS 50 2HB LYS 50 -12.625 1.105 -0.503 414 1HG LYS 50 1HG LYS 50 -13.223 3.145 -1.292 415 2HG LYS 50 2HG LYS 50 -11.867 3.162 -2.402 416 1HD LYS 50 1HD LYS 50 -13.236 1.704 -3.984 417 2HD LYS 50 2HD LYS 50 -14.601 1.896 -2.901 418 1HE LYS 50 1HE LYS 50 -15.049 3.996 -3.670 419 2HE LYS 50 2HE LYS 50 -13.374 4.492 -3.530 420 1HZ LYS 50 1HZ LYS 50 -14.576 3.001 -5.754 421 2HZ LYS 50 2HZ LYS 50 -13.974 4.518 -5.794 422 3HZ LYS 50 3HZ LYS 50 -12.969 3.246 -5.603 423 H GLY 51 H GLY 51 -8.221 1.375 -0.905 424 1HA GLY 51 1HA GLY 51 -8.617 4.052 0.291 425 2HA GLY 51 2HA GLY 51 -7.439 2.870 0.828 426 H PHE 52 H PHE 52 -5.515 2.467 -0.423 427 HA PHE 52 HA PHE 52 -4.774 4.747 -2.018 428 1HB PHE 52 1HB PHE 52 -3.249 2.157 -1.383 429 2HB PHE 52 2HB PHE 52 -2.539 3.703 -1.803 430 HD1 PHE 52 HD1 PHE 52 -3.339 5.682 -0.131 431 HD2 PHE 52 HD2 PHE 52 -3.143 1.554 0.831 432 HE1 PHE 52 HE1 PHE 52 -3.154 6.259 2.304 433 HE2 PHE 52 HE2 PHE 52 -2.958 2.130 3.267 434 HZ PHE 52 HZ PHE 52 -2.966 4.476 3.975 435 H LYS 53 H LYS 53 -3.555 4.409 -4.121 436 HA LYS 53 HA LYS 53 -5.026 2.442 -5.701 437 1HB LYS 53 1HB LYS 53 -4.699 5.097 -6.116 438 2HB LYS 53 2HB LYS 53 -3.319 4.492 -7.010 439 1HG LYS 53 1HG LYS 53 -5.083 2.753 -7.993 440 2HG LYS 53 2HG LYS 53 -6.260 3.940 -7.467 441 1HD LYS 53 1HD LYS 53 -4.788 5.688 -8.737 442 2HD LYS 53 2HD LYS 53 -4.011 4.306 -9.483 443 1HE LYS 53 1HE LYS 53 -5.896 3.724 -10.718 444 2HE LYS 53 2HE LYS 53 -7.013 4.299 -9.496 445 1HZ LYS 53 1HZ LYS 53 -6.987 5.716 -11.428 446 2HZ LYS 53 2HZ LYS 53 -6.464 6.546 -10.122 447 3HZ LYS 53 3HZ LYS 53 -5.394 6.025 -11.241 448 H VAL 54 H VAL 54 -3.779 0.612 -4.887 449 HA VAL 54 HA VAL 54 -1.069 0.571 -6.026 450 HB VAL 54 HB VAL 54 -1.770 -1.373 -3.924 451 1HG1 VAL 54 1HG1 VAL 54 0.492 -1.064 -4.997 452 2HG1 VAL 54 2HG1 VAL 54 0.596 0.509 -4.169 453 3HG1 VAL 54 3HG1 VAL 54 0.487 -0.992 -3.218 454 1HG2 VAL 54 1HG2 VAL 54 -2.916 0.407 -2.872 455 2HG2 VAL 54 2HG2 VAL 54 -1.299 0.387 -2.129 456 3HG2 VAL 54 3HG2 VAL 54 -1.693 1.601 -3.370 457 H ALA 55 H ALA 55 -0.645 -2.208 -5.862 458 HA ALA 55 HA ALA 55 -2.670 -3.839 -6.717 459 1HB ALA 55 1HB ALA 55 -1.383 -3.382 -9.274 460 2HB ALA 55 2HB ALA 55 -3.114 -3.343 -8.863 461 3HB ALA 55 3HB ALA 55 -2.123 -1.875 -8.684 462 H ARG 56 H ARG 56 -1.863 -5.952 -7.232 463 HA ARG 56 HA ARG 56 0.237 -6.829 -6.016 464 1HB ARG 56 1HB ARG 56 -0.583 -7.692 -8.836 465 2HB ARG 56 2HB ARG 56 0.451 -8.645 -7.789 466 1HG ARG 56 1HG ARG 56 -1.410 -8.617 -6.045 467 2HG ARG 56 2HG ARG 56 -2.438 -7.829 -7.226 468 1HD ARG 56 1HD ARG 56 -3.027 -9.955 -7.838 469 2HD ARG 56 2HD ARG 56 -1.506 -9.965 -8.708 470 HE ARG 56 HE ARG 56 -0.992 -10.699 -5.989 471 1HH1 ARG 56 1HH1 ARG 56 -2.550 -11.970 -8.877 472 2HH1 ARG 56 2HH1 ARG 56 -2.290 -13.626 -8.444 473 1HH2 ARG 56 1HH2 ARG 56 -0.648 -12.884 -5.417 474 2HH2 ARG 56 2HH2 ARG 56 -1.200 -14.150 -6.462 475 H ARG 57 H ARG 57 0.360 -5.441 -9.363 476 HA ARG 57 HA ARG 57 3.043 -5.890 -9.771 477 1HB ARG 57 1HB ARG 57 1.394 -5.215 -11.540 478 2HB ARG 57 2HB ARG 57 1.300 -3.612 -10.840 479 1HG ARG 57 1HG ARG 57 2.853 -3.583 -12.744 480 2HG ARG 57 2HG ARG 57 3.739 -3.274 -11.264 481 1HD ARG 57 1HD ARG 57 5.071 -5.069 -11.656 482 2HD ARG 57 2HD ARG 57 3.678 -6.132 -11.654 483 HE ARG 57 HE ARG 57 5.008 -4.984 -14.021 484 1HH1 ARG 57 1HH1 ARG 57 2.157 -6.621 -12.767 485 2HH1 ARG 57 2HH1 ARG 57 1.668 -7.229 -14.313 486 1HH2 ARG 57 1HH2 ARG 57 4.363 -5.786 -16.062 487 2HH2 ARG 57 2HH2 ARG 57 2.932 -6.750 -16.200 488 H THR 58 H THR 58 1.306 -2.894 -8.645 489 HA THR 58 HA THR 58 3.621 -1.377 -8.211 490 HB THR 58 HB THR 58 0.715 -1.310 -7.343 491 HG1 THR 58 HG1 THR 58 0.879 -0.056 -9.156 492 1HG2 THR 58 1HG2 THR 58 1.032 0.710 -6.099 493 2HG2 THR 58 2HG2 THR 58 2.296 -0.371 -5.467 494 3HG2 THR 58 3HG2 THR 58 2.713 0.886 -6.656 495 H VAL 59 H VAL 59 1.774 -3.594 -6.057 496 HA VAL 59 HA VAL 59 3.234 -2.980 -3.750 497 HB VAL 59 HB VAL 59 2.022 -5.665 -4.348 498 1HG1 VAL 59 1HG1 VAL 59 1.359 -5.541 -1.976 499 2HG1 VAL 59 2HG1 VAL 59 3.120 -5.378 -2.181 500 3HG1 VAL 59 3HG1 VAL 59 2.126 -3.939 -1.850 501 1HG2 VAL 59 1HG2 VAL 59 0.693 -3.096 -4.559 502 2HG2 VAL 59 2HG2 VAL 59 0.069 -4.729 -4.890 503 3HG2 VAL 59 3HG2 VAL 59 -0.004 -4.066 -3.240 504 H ALA 60 H ALA 60 3.734 -5.333 -6.426 505 HA ALA 60 HA ALA 60 5.829 -6.742 -5.255 506 1HB ALA 60 1HB ALA 60 5.223 -7.853 -7.131 507 2HB ALA 60 2HB ALA 60 4.605 -6.377 -7.911 508 3HB ALA 60 3HB ALA 60 6.342 -6.758 -7.977 509 H LYS 61 H LYS 61 5.745 -3.698 -7.187 510 HA LYS 61 HA LYS 61 8.526 -3.440 -7.408 511 1HB LYS 61 1HB LYS 61 6.139 -1.895 -8.033 512 2HB LYS 61 2HB LYS 61 7.429 -0.865 -7.446 513 1HG LYS 61 1HG LYS 61 8.008 -0.961 -9.696 514 2HG LYS 61 2HG LYS 61 8.937 -2.323 -9.100 515 1HD LYS 61 1HD LYS 61 6.304 -3.312 -9.661 516 2HD LYS 61 2HD LYS 61 6.764 -2.314 -11.026 517 1HE LYS 61 1HE LYS 61 7.582 -4.514 -11.533 518 2HE LYS 61 2HE LYS 61 8.994 -3.582 -11.079 519 1HZ LYS 61 1HZ LYS 61 7.792 -4.760 -8.820 520 2HZ LYS 61 2HZ LYS 61 8.147 -5.898 -9.936 521 3HZ LYS 61 3HZ LYS 61 9.322 -4.914 -9.371 522 H TYR 62 H TYR 62 6.136 -2.268 -4.969 523 HA TYR 62 HA TYR 62 8.024 -0.813 -3.468 524 1HB TYR 62 1HB TYR 62 5.283 -2.122 -3.080 525 2HB TYR 62 2HB TYR 62 6.064 -1.365 -1.706 526 HD1 TYR 62 HD1 TYR 62 5.839 -0.317 -5.305 527 HD2 TYR 62 HD2 TYR 62 4.923 0.604 -1.228 528 HE1 TYR 62 HE1 TYR 62 4.913 1.941 -6.016 529 HE2 TYR 62 HE2 TYR 62 4.000 2.859 -1.953 530 HH TYR 62 HH TYR 62 3.169 3.560 -5.032 531 H ARG 63 H ARG 63 6.819 -4.208 -3.336 532 HA ARG 63 HA ARG 63 7.853 -4.883 -0.915 533 1HB ARG 63 1HB ARG 63 6.381 -6.288 -2.476 534 2HB ARG 63 2HB ARG 63 7.825 -6.687 -3.385 535 1HG ARG 63 1HG ARG 63 8.171 -7.108 -0.480 536 2HG ARG 63 2HG ARG 63 6.858 -8.063 -1.141 537 1HD ARG 63 1HD ARG 63 8.773 -8.462 -3.078 538 2HD ARG 63 2HD ARG 63 9.795 -8.253 -1.670 539 HE ARG 63 HE ARG 63 7.771 -10.013 -0.844 540 1HH1 ARG 63 1HH1 ARG 63 10.253 -9.986 -3.338 541 2HH1 ARG 63 2HH1 ARG 63 10.425 -11.710 -3.366 542 1HH2 ARG 63 1HH2 ARG 63 7.997 -12.287 -0.880 543 2HH2 ARG 63 2HH2 ARG 63 9.133 -13.027 -1.958 544 H GLU 64 H GLU 64 9.423 -4.760 -4.158 545 HA GLU 64 HA GLU 64 11.813 -5.946 -3.292 546 1HB GLU 64 1HB GLU 64 10.715 -4.803 -5.745 547 2HB GLU 64 2HB GLU 64 12.381 -4.303 -5.534 548 1HG GLU 64 1HG GLU 64 13.210 -6.458 -5.741 549 2HG GLU 64 2HG GLU 64 11.818 -7.188 -4.965 550 H MET 65 H MET 65 10.598 -2.576 -3.518 551 HA MET 65 HA MET 65 13.077 -1.380 -3.027 552 1HB MET 65 1HB MET 65 10.167 -0.496 -2.681 553 2HB MET 65 2HB MET 65 11.497 0.592 -2.338 554 1HG MET 65 1HG MET 65 12.348 -0.024 -4.748 555 2HG MET 65 2HG MET 65 10.732 -0.650 -5.007 556 1HE MET 65 1HE MET 65 9.445 0.657 -6.427 557 2HE MET 65 2HE MET 65 8.489 0.912 -4.947 558 3HE MET 65 3HE MET 65 8.817 2.277 -6.040 559 H LEU 66 H LEU 66 10.437 -2.588 -0.922 560 HA LEU 66 HA LEU 66 11.679 -1.483 1.433 561 1HB LEU 66 1HB LEU 66 9.361 -3.404 1.243 562 2HB LEU 66 2HB LEU 66 9.812 -2.403 2.609 563 HG LEU 66 HG LEU 66 9.070 -1.130 -0.015 564 1HD1 LEU 66 1HD1 LEU 66 7.153 -2.181 2.078 565 2HD1 LEU 66 2HD1 LEU 66 6.721 -0.973 0.844 566 3HD1 LEU 66 3HD1 LEU 66 7.230 -2.607 0.351 567 1HD2 LEU 66 1HD2 LEU 66 9.688 0.627 1.235 568 2HD2 LEU 66 2HD2 LEU 66 8.085 0.437 1.986 569 3HD2 LEU 66 3HD2 LEU 66 9.522 -0.267 2.765 570 H GLY 67 H GLY 67 10.642 -4.866 0.607 571 1HA GLY 67 1HA GLY 67 12.695 -6.382 0.437 572 2HA GLY 67 2HA GLY 67 13.023 -5.816 2.063 Start of MODEL 4 1 1H THR 1 1H THR 1 -2.993 41.674 -16.274 2 HA THR 1 HA THR 1 -1.997 43.624 -15.877 3 HB THR 1 HB THR 1 -4.245 43.635 -13.810 4 HG1 THR 1 HG1 THR 1 -5.005 45.128 -15.554 5 1HG2 THR 1 1HG2 THR 1 -3.817 45.868 -13.267 6 2HG2 THR 1 2HG2 THR 1 -2.139 45.310 -13.467 7 3HG2 THR 1 3HG2 THR 1 -2.953 46.175 -14.793 8 H TYR 2 H TYR 2 -2.604 41.969 -12.712 9 HA TYR 2 HA TYR 2 0.025 42.908 -11.847 10 1HB TYR 2 1HB TYR 2 -2.476 41.625 -10.612 11 2HB TYR 2 2HB TYR 2 -0.991 41.722 -9.687 12 HD1 TYR 2 HD1 TYR 2 0.099 44.164 -9.599 13 HD2 TYR 2 HD2 TYR 2 -4.024 43.347 -10.399 14 HE1 TYR 2 HE1 TYR 2 -0.517 46.520 -8.868 15 HE2 TYR 2 HE2 TYR 2 -4.626 45.705 -9.665 16 HH TYR 2 HH TYR 2 -3.875 47.488 -8.552 17 H SER 3 H SER 3 -1.947 39.848 -11.885 18 HA SER 3 HA SER 3 -0.019 38.313 -13.032 19 1HB SER 3 1HB SER 3 0.408 38.717 -10.113 20 2HB SER 3 2HB SER 3 0.436 37.042 -10.627 21 HG SER 3 HG SER 3 2.402 38.856 -10.856 22 H LEU 4 H LEU 4 -0.437 35.809 -12.385 23 HA LEU 4 HA LEU 4 -2.879 35.204 -11.131 24 1HB LEU 4 1HB LEU 4 -3.361 36.347 -13.527 25 2HB LEU 4 2HB LEU 4 -3.182 34.677 -14.028 26 HG LEU 4 HG LEU 4 -4.869 34.465 -11.847 27 1HD1 LEU 4 1HD1 LEU 4 -5.079 36.922 -11.746 28 2HD1 LEU 4 2HD1 LEU 4 -5.711 36.921 -13.411 29 3HD1 LEU 4 3HD1 LEU 4 -6.623 36.115 -12.112 30 1HD2 LEU 4 1HD2 LEU 4 -6.079 34.838 -14.551 31 2HD2 LEU 4 2HD2 LEU 4 -4.860 33.558 -14.338 32 3HD2 LEU 4 3HD2 LEU 4 -6.335 33.557 -13.341 33 H ARG 5 H ARG 5 -3.413 32.819 -11.440 34 HA ARG 5 HA ARG 5 -1.638 31.177 -12.776 35 1HB ARG 5 1HB ARG 5 -0.414 32.191 -10.504 36 2HB ARG 5 2HB ARG 5 -1.117 30.716 -9.873 37 1HG ARG 5 1HG ARG 5 0.080 29.338 -11.431 38 2HG ARG 5 2HG ARG 5 0.474 30.697 -12.464 39 1HD ARG 5 1HD ARG 5 1.854 31.656 -10.530 40 2HD ARG 5 2HD ARG 5 1.582 30.154 -9.670 41 HE ARG 5 HE ARG 5 3.202 29.152 -11.014 42 1HH1 ARG 5 1HH1 ARG 5 1.943 31.976 -12.695 43 2HH1 ARG 5 2HH1 ARG 5 3.052 31.841 -14.019 44 1HH2 ARG 5 1HH2 ARG 5 4.666 28.974 -12.760 45 2HH2 ARG 5 2HH2 ARG 5 4.611 30.122 -14.056 46 H THR 6 H THR 6 -1.894 28.767 -11.849 47 HA THR 6 HA THR 6 -4.307 28.398 -10.297 48 HB THR 6 HB THR 6 -4.094 27.551 -13.235 49 HG1 THR 6 HG1 THR 6 -5.532 29.279 -13.457 50 1HG2 THR 6 1HG2 THR 6 -6.027 26.902 -10.993 51 2HG2 THR 6 2HG2 THR 6 -6.670 27.147 -12.634 52 3HG2 THR 6 3HG2 THR 6 -5.474 25.865 -12.330 53 H PHE 7 H PHE 7 -4.591 26.211 -9.558 54 HA PHE 7 HA PHE 7 -2.029 24.910 -9.315 55 1HB PHE 7 1HB PHE 7 -3.321 23.565 -7.639 56 2HB PHE 7 2HB PHE 7 -3.617 25.274 -7.389 57 HD1 PHE 7 HD1 PHE 7 -5.795 26.212 -7.713 58 HD2 PHE 7 HD2 PHE 7 -5.060 22.149 -8.695 59 HE1 PHE 7 HE1 PHE 7 -8.265 25.811 -7.903 60 HE2 PHE 7 HE2 PHE 7 -7.531 21.749 -8.885 61 HZ PHE 7 HZ PHE 7 -9.104 23.584 -8.487 62 H PHE 8 H PHE 8 -1.563 22.743 -9.934 63 HA PHE 8 HA PHE 8 -3.428 21.020 -11.063 64 1HB PHE 8 1HB PHE 8 -2.496 21.280 -13.481 65 2HB PHE 8 2HB PHE 8 -3.567 22.559 -12.946 66 HD1 PHE 8 HD1 PHE 8 -2.897 24.750 -13.235 67 HD2 PHE 8 HD2 PHE 8 0.072 21.726 -13.012 68 HE1 PHE 8 HE1 PHE 8 -1.124 26.451 -13.752 69 HE2 PHE 8 HE2 PHE 8 1.844 23.427 -13.528 70 HZ PHE 8 HZ PHE 8 1.224 25.769 -13.893 71 H VAL 9 H VAL 9 -2.039 19.406 -12.703 72 HA VAL 9 HA VAL 9 -0.466 17.856 -12.750 73 HB VAL 9 HB VAL 9 1.164 20.257 -11.944 74 1HG1 VAL 9 1HG1 VAL 9 3.200 18.972 -12.427 75 2HG1 VAL 9 2HG1 VAL 9 2.309 18.276 -11.052 76 3HG1 VAL 9 3HG1 VAL 9 2.225 17.499 -12.651 77 1HG2 VAL 9 1HG2 VAL 9 0.003 19.656 -14.317 78 2HG2 VAL 9 2HG2 VAL 9 1.511 20.588 -14.159 79 3HG2 VAL 9 3HG2 VAL 9 1.575 18.847 -14.523 80 H ARG 10 H ARG 10 -1.383 16.479 -11.184 81 HA ARG 10 HA ARG 10 0.194 16.331 -8.810 82 1HB ARG 10 1HB ARG 10 -2.625 17.295 -8.801 83 2HB ARG 10 2HB ARG 10 -2.324 15.988 -7.673 84 1HG ARG 10 1HG ARG 10 -0.187 17.419 -7.007 85 2HG ARG 10 2HG ARG 10 -1.057 18.740 -7.761 86 1HD ARG 10 1HD ARG 10 -2.749 17.136 -5.926 87 2HD ARG 10 2HD ARG 10 -1.382 17.883 -5.122 88 HE ARG 10 HE ARG 10 -2.830 19.704 -6.913 89 1HH1 ARG 10 1HH1 ARG 10 -2.626 18.405 -3.649 90 2HH1 ARG 10 2HH1 ARG 10 -3.455 19.743 -2.927 91 1HH2 ARG 10 1HH2 ARG 10 -3.924 21.470 -5.961 92 2HH2 ARG 10 2HH2 ARG 10 -4.199 21.499 -4.251 93 H GLU 11 H GLU 11 -3.025 15.155 -10.067 94 HA GLU 11 HA GLU 11 -3.862 13.127 -10.134 95 1HB GLU 11 1HB GLU 11 -1.219 12.319 -11.402 96 2HB GLU 11 2HB GLU 11 -2.815 11.694 -11.765 97 1HG GLU 11 1HG GLU 11 -2.181 14.643 -12.143 98 2HG GLU 11 2HG GLU 11 -1.768 13.474 -13.381 99 H SER 12 H SER 12 -2.222 10.560 -10.277 100 HA SER 12 HA SER 12 -1.223 9.107 -8.973 101 1HB SER 12 1HB SER 12 -0.251 11.478 -7.844 102 2HB SER 12 2HB SER 12 -0.961 10.651 -6.472 103 HG SER 12 HG SER 12 0.983 9.690 -6.478 104 H ALA 13 H ALA 13 -1.563 8.421 -6.270 105 HA ALA 13 HA ALA 13 -4.222 7.559 -6.244 106 1HB ALA 13 1HB ALA 13 -3.642 6.794 -3.944 107 2HB ALA 13 2HB ALA 13 -2.396 6.360 -5.139 108 3HB ALA 13 3HB ALA 13 -2.132 7.731 -4.036 109 H GLU 14 H GLU 14 -3.849 8.532 -3.092 110 HA GLU 14 HA GLU 14 -5.867 10.514 -3.430 111 1HB GLU 14 1HB GLU 14 -5.246 8.676 -1.451 112 2HB GLU 14 2HB GLU 14 -4.681 10.171 -0.732 113 1HG GLU 14 1HG GLU 14 -6.934 11.216 -1.273 114 2HG GLU 14 2HG GLU 14 -7.481 9.648 -1.834 115 H GLY 15 H GLY 15 -3.717 11.499 -4.784 116 1HA GLY 15 1HA GLY 15 -2.534 13.406 -4.984 117 2HA GLY 15 2HA GLY 15 -3.196 13.952 -3.456 118 H LEU 16 H LEU 16 -1.871 10.867 -2.960 119 HA LEU 16 HA LEU 16 0.364 12.017 -1.564 120 1HB LEU 16 1HB LEU 16 0.675 9.818 -0.667 121 2HB LEU 16 2HB LEU 16 -1.011 10.282 -0.553 122 HG LEU 16 HG LEU 16 -1.526 8.877 -2.528 123 1HD1 LEU 16 1HD1 LEU 16 0.519 7.119 -2.852 124 2HD1 LEU 16 2HD1 LEU 16 0.214 8.521 -3.905 125 3HD1 LEU 16 3HD1 LEU 16 1.416 8.635 -2.596 126 1HD2 LEU 16 1HD2 LEU 16 -1.458 6.774 -1.394 127 2HD2 LEU 16 2HD2 LEU 16 -0.095 7.299 -0.377 128 3HD2 LEU 16 3HD2 LEU 16 -1.697 8.046 -0.172 129 H THR 17 H THR 17 2.606 11.329 -1.882 130 HA THR 17 HA THR 17 3.174 11.075 -4.720 131 HB THR 17 HB THR 17 5.563 11.471 -3.735 132 HG1 THR 17 HG1 THR 17 5.334 12.290 -1.486 133 1HG2 THR 17 1HG2 THR 17 5.083 13.872 -3.155 134 2HG2 THR 17 2HG2 THR 17 4.282 13.387 -4.668 135 3HG2 THR 17 3HG2 THR 17 3.342 13.503 -3.161 136 H GLN 18 H GLN 18 4.751 9.533 -5.554 137 HA GLN 18 HA GLN 18 4.057 6.977 -4.985 138 1HB GLN 18 1HB GLN 18 5.256 7.754 -7.035 139 2HB GLN 18 2HB GLN 18 6.725 7.952 -6.100 140 1HG GLN 18 1HG GLN 18 5.694 5.298 -5.594 141 2HG GLN 18 2HG GLN 18 5.704 5.553 -7.327 142 1HE2 GLN 18 1HE2 GLN 18 7.417 4.556 -8.083 143 2HE2 GLN 18 2HE2 GLN 18 9.049 4.720 -7.526 144 H GLY 19 H GLY 19 6.506 9.045 -3.432 145 1HA GLY 19 1HA GLY 19 7.870 6.952 -2.059 146 2HA GLY 19 2HA GLY 19 7.952 8.672 -1.738 147 H GLU 20 H GLU 20 5.156 9.211 -1.270 148 HA GLU 20 HA GLU 20 5.022 8.609 1.410 149 1HB GLU 20 1HB GLU 20 3.288 9.876 -0.624 150 2HB GLU 20 2HB GLU 20 2.384 9.135 0.682 151 1HG GLU 20 1HG GLU 20 4.511 10.442 1.993 152 2HG GLU 20 2HG GLU 20 4.064 11.553 0.714 153 H LEU 21 H LEU 21 3.585 6.984 -1.459 154 HA LEU 21 HA LEU 21 1.886 5.265 -0.082 155 1HB LEU 21 1HB LEU 21 2.241 5.848 -2.630 156 2HB LEU 21 2HB LEU 21 3.265 4.426 -2.596 157 HG LEU 21 HG LEU 21 1.108 3.755 -3.347 158 1HD1 LEU 21 1HD1 LEU 21 2.387 2.544 -1.277 159 2HD1 LEU 21 2HD1 LEU 21 0.761 2.768 -0.588 160 3HD1 LEU 21 3HD1 LEU 21 0.965 1.881 -2.117 161 1HD2 LEU 21 1HD2 LEU 21 -0.867 4.048 -1.640 162 2HD2 LEU 21 2HD2 LEU 21 0.107 5.425 -1.070 163 3HD2 LEU 21 3HD2 LEU 21 -0.432 5.356 -2.765 164 H MET 22 H MET 22 5.385 5.063 -0.882 165 HA MET 22 HA MET 22 5.781 2.443 -0.224 166 1HB MET 22 1HB MET 22 7.632 4.829 0.334 167 2HB MET 22 2HB MET 22 8.152 3.164 0.164 168 1HG MET 22 1HG MET 22 6.850 3.385 -2.196 169 2HG MET 22 2HG MET 22 7.206 5.085 -1.958 170 1HE MET 22 1HE MET 22 8.611 1.752 -1.150 171 2HE MET 22 2HE MET 22 9.143 1.499 -2.830 172 3HE MET 22 3HE MET 22 10.343 1.816 -1.554 173 H LYS 23 H LYS 23 6.274 5.335 1.938 174 HA LYS 23 HA LYS 23 6.761 3.824 4.230 175 1HB LYS 23 1HB LYS 23 6.868 6.483 3.523 176 2HB LYS 23 2HB LYS 23 5.519 6.462 4.641 177 1HG LYS 23 1HG LYS 23 7.491 4.788 5.824 178 2HG LYS 23 2HG LYS 23 8.375 6.165 5.196 179 1HD LYS 23 1HD LYS 23 6.338 7.529 6.320 180 2HD LYS 23 2HD LYS 23 6.228 6.088 7.311 181 1HE LYS 23 1HE LYS 23 7.915 6.921 8.582 182 2HE LYS 23 2HE LYS 23 8.995 6.649 7.229 183 1HZ LYS 23 1HZ LYS 23 7.562 9.104 7.913 184 2HZ LYS 23 2HZ LYS 23 9.168 8.889 7.705 185 3HZ LYS 23 3HZ LYS 23 8.168 8.873 6.414 186 H LEU 24 H LEU 24 3.786 4.733 2.547 187 HA LEU 24 HA LEU 24 2.050 4.323 4.731 188 1HB LEU 24 1HB LEU 24 1.850 4.739 1.815 189 2HB LEU 24 2HB LEU 24 0.519 3.860 2.540 190 HG LEU 24 HG LEU 24 1.395 6.410 3.838 191 1HD1 LEU 24 1HD1 LEU 24 -0.325 6.335 1.344 192 2HD1 LEU 24 2HD1 LEU 24 0.044 7.762 2.341 193 3HD1 LEU 24 3HD1 LEU 24 1.343 6.949 1.436 194 1HD2 LEU 24 1HD2 LEU 24 -1.281 6.463 3.861 195 2HD2 LEU 24 2HD2 LEU 24 -1.037 4.706 3.710 196 3HD2 LEU 24 3HD2 LEU 24 -0.317 5.590 5.076 197 H ILE 25 H ILE 25 3.316 2.212 2.095 198 HA ILE 25 HA ILE 25 1.754 -0.014 2.833 199 HB ILE 25 HB ILE 25 4.162 0.453 1.118 200 1HG1 ILE 25 1HG1 ILE 25 1.335 -0.509 0.597 201 2HG1 ILE 25 2HG1 ILE 25 1.994 1.070 0.216 202 1HG2 ILE 25 1HG2 ILE 25 4.899 -1.623 1.424 203 2HG2 ILE 25 2HG2 ILE 25 3.483 -2.060 2.409 204 3HG2 ILE 25 3HG2 ILE 25 3.404 -2.182 0.635 205 1HD1 ILE 25 1HD1 ILE 25 2.828 0.308 -1.745 206 2HD1 ILE 25 2HD1 ILE 25 3.717 -0.988 -0.907 207 3HD1 ILE 25 3HD1 ILE 25 2.033 -1.252 -1.421 208 H LYS 26 H LYS 26 5.117 1.052 3.624 209 HA LYS 26 HA LYS 26 5.709 -1.219 5.170 210 1HB LYS 26 1HB LYS 26 7.119 0.897 4.155 211 2HB LYS 26 2HB LYS 26 7.070 1.312 5.856 212 1HG LYS 26 1HG LYS 26 7.701 -1.549 5.196 213 2HG LYS 26 2HG LYS 26 8.931 -0.366 4.796 214 1HD LYS 26 1HD LYS 26 7.948 0.275 7.426 215 2HD LYS 26 2HD LYS 26 8.254 -1.450 7.392 216 1HE LYS 26 1HE LYS 26 10.561 -1.095 6.640 217 2HE LYS 26 2HE LYS 26 10.278 0.620 6.419 218 1HZ LYS 26 1HZ LYS 26 10.242 -0.837 8.968 219 2HZ LYS 26 2HZ LYS 26 11.334 0.279 8.489 220 3HZ LYS 26 3HZ LYS 26 9.798 0.727 8.815 221 H GLU 27 H GLU 27 3.741 1.620 5.719 222 HA GLU 27 HA GLU 27 3.984 1.680 8.501 223 1HB GLU 27 1HB GLU 27 2.355 2.964 6.422 224 2HB GLU 27 2HB GLU 27 1.421 2.660 7.873 225 1HG GLU 27 1HG GLU 27 2.971 3.904 9.253 226 2HG GLU 27 2HG GLU 27 4.177 3.953 7.983 227 H ILE 28 H ILE 28 1.832 -0.076 6.221 228 HA ILE 28 HA ILE 28 0.101 -1.066 8.221 229 HB ILE 28 HB ILE 28 0.633 -1.606 5.339 230 1HG1 ILE 28 1HG1 ILE 28 -2.074 -1.371 5.732 231 2HG1 ILE 28 2HG1 ILE 28 -1.446 -0.361 7.019 232 1HG2 ILE 28 1HG2 ILE 28 -1.031 -3.412 7.116 233 2HG2 ILE 28 2HG2 ILE 28 -1.022 -3.432 5.336 234 3HG2 ILE 28 3HG2 ILE 28 0.454 -3.852 6.238 235 1HD1 ILE 28 1HD1 ILE 28 0.121 0.184 4.669 236 2HD1 ILE 28 2HD1 ILE 28 -1.597 0.230 4.207 237 3HD1 ILE 28 3HD1 ILE 28 -1.000 1.273 5.521 238 H VAL 29 H VAL 29 3.314 -1.931 7.075 239 HA VAL 29 HA VAL 29 3.139 -4.547 8.331 240 HB VAL 29 HB VAL 29 5.645 -3.436 7.156 241 1HG1 VAL 29 1HG1 VAL 29 5.361 -5.762 8.174 242 2HG1 VAL 29 2HG1 VAL 29 4.363 -6.148 6.752 243 3HG1 VAL 29 3HG1 VAL 29 6.068 -5.683 6.543 244 1HG2 VAL 29 1HG2 VAL 29 4.418 -2.712 5.365 245 2HG2 VAL 29 2HG2 VAL 29 4.605 -4.422 4.907 246 3HG2 VAL 29 3HG2 VAL 29 3.093 -3.863 5.661 247 H GLU 30 H GLU 30 2.991 -1.820 9.765 248 HA GLU 30 HA GLU 30 5.423 -1.542 11.125 249 1HB GLU 30 1HB GLU 30 2.639 -0.461 11.391 250 2HB GLU 30 2HB GLU 30 3.662 -0.350 12.810 251 1HG GLU 30 1HG GLU 30 5.370 0.887 11.577 252 2HG GLU 30 2HG GLU 30 4.556 0.600 10.052 253 H ASN 31 H ASN 31 2.569 -3.595 11.539 254 HA ASN 31 HA ASN 31 3.953 -4.892 13.709 255 1HB ASN 31 1HB ASN 31 1.891 -4.982 15.109 256 2HB ASN 31 2HB ASN 31 2.384 -3.322 14.841 257 1HD2 ASN 31 1HD2 ASN 31 -0.206 -5.163 15.087 258 2HD2 ASN 31 2HD2 ASN 31 -1.319 -4.409 13.994 259 H GLU 32 H GLU 32 3.927 -5.944 11.220 260 HA GLU 32 HA GLU 32 1.608 -7.235 10.430 261 1HB GLU 32 1HB GLU 32 3.030 -8.454 8.887 262 2HB GLU 32 2HB GLU 32 3.630 -6.811 8.999 263 1HG GLU 32 1HG GLU 32 5.604 -7.456 9.976 264 2HG GLU 32 2HG GLU 32 4.825 -8.638 11.010 265 H ASP 33 H ASP 33 2.689 -9.977 10.031 266 HA ASP 33 HA ASP 33 3.144 -10.986 12.651 267 1HB ASP 33 1HB ASP 33 0.550 -10.622 12.264 268 2HB ASP 33 2HB ASP 33 0.675 -12.031 11.231 269 H LYS 34 H LYS 34 3.894 -13.236 12.518 270 HA LYS 34 HA LYS 34 4.995 -13.919 10.010 271 1HB LYS 34 1HB LYS 34 4.930 -15.120 12.753 272 2HB LYS 34 2HB LYS 34 5.415 -16.136 11.411 273 1HG LYS 34 1HG LYS 34 6.760 -13.635 11.049 274 2HG LYS 34 2HG LYS 34 6.926 -14.039 12.746 275 1HD LYS 34 1HD LYS 34 7.460 -16.124 10.599 276 2HD LYS 34 2HD LYS 34 8.700 -14.971 11.052 277 1HE LYS 34 1HE LYS 34 8.446 -15.704 13.462 278 2HE LYS 34 2HE LYS 34 7.289 -16.914 12.943 279 1HZ LYS 34 1HZ LYS 34 9.279 -18.024 12.956 280 2HZ LYS 34 2HZ LYS 34 9.150 -17.626 11.377 281 3HZ LYS 34 3HZ LYS 34 10.143 -16.775 12.356 282 H ARG 35 H ARG 35 2.137 -15.013 11.900 283 HA ARG 35 HA ARG 35 1.556 -17.141 10.208 284 1HB ARG 35 1HB ARG 35 0.108 -15.584 12.337 285 2HB ARG 35 2HB ARG 35 -0.891 -16.536 11.257 286 1HG ARG 35 1HG ARG 35 -0.182 -18.524 12.147 287 2HG ARG 35 2HG ARG 35 1.493 -18.012 12.206 288 1HD ARG 35 1HD ARG 35 1.140 -16.804 14.293 289 2HD ARG 35 2HD ARG 35 -0.599 -16.986 14.178 290 HE ARG 35 HE ARG 35 0.711 -19.573 14.156 291 1HH1 ARG 35 1HH1 ARG 35 -0.279 -16.955 16.289 292 2HH1 ARG 35 2HH1 ARG 35 -0.400 -17.969 17.688 293 1HH2 ARG 35 1HH2 ARG 35 0.552 -20.911 16.002 294 2HH2 ARG 35 2HH2 ARG 35 0.077 -20.234 17.524 295 H LYS 36 H LYS 36 0.235 -13.762 10.453 296 HA LYS 36 HA LYS 36 -0.562 -14.007 7.644 297 1HB LYS 36 1HB LYS 36 -2.284 -13.568 9.975 298 2HB LYS 36 2HB LYS 36 -2.457 -12.318 8.760 299 1HG LYS 36 1HG LYS 36 -3.504 -13.727 7.306 300 2HG LYS 36 2HG LYS 36 -2.301 -14.981 7.528 301 1HD LYS 36 1HD LYS 36 -4.173 -16.039 8.434 302 2HD LYS 36 2HD LYS 36 -3.488 -15.325 9.880 303 1HE LYS 36 1HE LYS 36 -5.392 -13.605 8.318 304 2HE LYS 36 2HE LYS 36 -6.089 -14.982 9.148 305 1HZ LYS 36 1HZ LYS 36 -4.910 -12.614 10.246 306 2HZ LYS 36 2HZ LYS 36 -6.078 -13.576 10.858 307 3HZ LYS 36 3HZ LYS 36 -4.508 -13.991 11.026 308 HA PRO 37 HA PRO 37 2.035 -10.387 8.332 309 1HB PRO 37 1HB PRO 37 3.818 -10.846 6.313 310 2HB PRO 37 2HB PRO 37 4.090 -11.358 7.967 311 1HG PRO 37 1HG PRO 37 3.325 -12.989 5.623 312 2HG PRO 37 2HG PRO 37 4.005 -13.514 7.150 313 1HD PRO 37 1HD PRO 37 1.267 -13.733 6.326 314 2HD PRO 37 2HD PRO 37 1.926 -14.151 7.895 315 H TYR 38 H TYR 38 2.352 -8.410 7.118 316 HA TYR 38 HA TYR 38 0.165 -8.165 5.245 317 1HB TYR 38 1HB TYR 38 2.303 -6.322 6.479 318 2HB TYR 38 2HB TYR 38 1.070 -5.719 5.389 319 HD1 TYR 38 HD1 TYR 38 1.913 -5.967 8.730 320 HD2 TYR 38 HD2 TYR 38 -1.436 -6.573 6.138 321 HE1 TYR 38 HE1 TYR 38 0.328 -5.647 10.692 322 HE2 TYR 38 HE2 TYR 38 -3.010 -6.250 8.108 323 HH TYR 38 HH TYR 38 -1.741 -5.851 11.383 324 H SER 39 H SER 39 1.558 -9.836 3.848 325 HA SER 39 HA SER 39 3.794 -8.793 2.539 326 1HB SER 39 1HB SER 39 3.547 -11.162 2.553 327 2HB SER 39 2HB SER 39 1.890 -11.087 1.990 328 HG SER 39 HG SER 39 3.998 -11.502 0.482 329 H ASP 40 H ASP 40 3.475 -9.057 -0.186 330 HA ASP 40 HA ASP 40 2.364 -6.669 -0.899 331 1HB ASP 40 1HB ASP 40 2.494 -7.567 -3.253 332 2HB ASP 40 2HB ASP 40 3.969 -7.789 -2.333 333 H GLN 41 H GLN 41 1.002 -9.979 -0.699 334 HA GLN 41 HA GLN 41 -1.300 -9.481 -2.185 335 1HB GLN 41 1HB GLN 41 -1.242 -11.732 -1.936 336 2HB GLN 41 2HB GLN 41 -0.196 -11.625 -0.534 337 1HG GLN 41 1HG GLN 41 -2.270 -12.660 0.183 338 2HG GLN 41 2HG GLN 41 -2.217 -11.053 0.879 339 1HE2 GLN 41 1HE2 GLN 41 -4.553 -11.548 1.044 340 2HE2 GLN 41 2HE2 GLN 41 -5.594 -11.104 -0.267 341 H GLU 42 H GLU 42 -0.611 -9.375 1.372 342 HA GLU 42 HA GLU 42 -3.202 -8.749 2.116 343 1HB GLU 42 1HB GLU 42 -0.932 -9.377 3.457 344 2HB GLU 42 2HB GLU 42 -0.917 -7.644 3.717 345 1HG GLU 42 1HG GLU 42 -2.908 -7.663 4.957 346 2HG GLU 42 2HG GLU 42 -3.520 -9.100 4.162 347 H ILE 43 H ILE 43 -0.354 -6.480 2.178 348 HA ILE 43 HA ILE 43 -1.671 -4.160 2.489 349 HB ILE 43 HB ILE 43 0.884 -5.019 1.425 350 1HG1 ILE 43 1HG1 ILE 43 0.682 -2.352 2.622 351 2HG1 ILE 43 2HG1 ILE 43 -0.102 -3.587 3.586 352 1HG2 ILE 43 1HG2 ILE 43 -0.125 -2.349 0.413 353 2HG2 ILE 43 2HG2 ILE 43 1.475 -3.082 0.144 354 3HG2 ILE 43 3HG2 ILE 43 0.027 -3.815 -0.586 355 1HD1 ILE 43 1HD1 ILE 43 2.470 -3.140 3.917 356 2HD1 ILE 43 2HD1 ILE 43 1.884 -4.821 3.884 357 3HD1 ILE 43 3HD1 ILE 43 2.651 -4.117 2.440 358 H ALA 44 H ALA 44 -1.167 -5.922 -0.628 359 HA ALA 44 HA ALA 44 -2.339 -4.025 -2.274 360 1HB ALA 44 1HB ALA 44 -1.055 -5.850 -3.177 361 2HB ALA 44 2HB ALA 44 -2.138 -7.055 -2.438 362 3HB ALA 44 3HB ALA 44 -2.721 -6.035 -3.775 363 H ASN 45 H ASN 45 -3.773 -6.732 -0.362 364 HA ASN 45 HA ASN 45 -6.333 -6.420 -1.381 365 1HB ASN 45 1HB ASN 45 -5.076 -7.721 1.023 366 2HB ASN 45 2HB ASN 45 -6.799 -7.422 1.130 367 1HD2 ASN 45 1HD2 ASN 45 -4.373 -8.608 -1.193 368 2HD2 ASN 45 2HD2 ASN 45 -5.297 -9.931 -1.822 369 H ILE 46 H ILE 46 -4.450 -4.813 1.190 370 HA ILE 46 HA ILE 46 -6.621 -3.636 2.543 371 HB ILE 46 HB ILE 46 -3.663 -3.232 2.435 372 1HG1 ILE 46 1HG1 ILE 46 -5.624 -3.924 4.642 373 2HG1 ILE 46 2HG1 ILE 46 -4.575 -5.045 3.796 374 1HG2 ILE 46 1HG2 ILE 46 -5.671 -1.233 3.353 375 2HG2 ILE 46 2HG2 ILE 46 -4.243 -1.505 4.381 376 3HG2 ILE 46 3HG2 ILE 46 -4.038 -1.005 2.685 377 1HD1 ILE 46 1HD1 ILE 46 -2.848 -2.985 4.684 378 2HD1 ILE 46 2HD1 ILE 46 -3.957 -3.288 6.042 379 3HD1 ILE 46 3HD1 ILE 46 -2.995 -4.623 5.363 380 H LEU 47 H LEU 47 -4.380 -2.443 -0.045 381 HA LEU 47 HA LEU 47 -5.497 0.086 -0.257 382 1HB LEU 47 1HB LEU 47 -4.076 -1.659 -2.268 383 2HB LEU 47 2HB LEU 47 -4.508 0.013 -2.569 384 HG LEU 47 HG LEU 47 -2.685 0.746 -1.534 385 1HD1 LEU 47 1HD1 LEU 47 -3.306 -1.081 0.804 386 2HD1 LEU 47 2HD1 LEU 47 -2.146 0.270 0.795 387 3HD1 LEU 47 3HD1 LEU 47 -3.886 0.589 0.598 388 1HD2 LEU 47 1HD2 LEU 47 -1.917 -1.516 -2.555 389 2HD2 LEU 47 2HD2 LEU 47 -0.835 -0.644 -1.442 390 3HD2 LEU 47 3HD2 LEU 47 -1.776 -2.038 -0.859 391 H LYS 48 H LYS 48 -6.522 -3.081 -1.541 392 HA LYS 48 HA LYS 48 -8.305 -2.177 -3.461 393 1HB LYS 48 1HB LYS 48 -7.456 -4.616 -2.486 394 2HB LYS 48 2HB LYS 48 -9.137 -4.586 -1.995 395 1HG LYS 48 1HG LYS 48 -9.470 -3.673 -4.517 396 2HG LYS 48 2HG LYS 48 -7.966 -4.535 -4.769 397 1HD LYS 48 1HD LYS 48 -9.642 -6.162 -5.217 398 2HD LYS 48 2HD LYS 48 -9.095 -6.554 -3.599 399 1HE LYS 48 1HE LYS 48 -11.085 -4.784 -2.978 400 2HE LYS 48 2HE LYS 48 -11.714 -5.400 -4.493 401 1HZ LYS 48 1HZ LYS 48 -12.314 -7.211 -3.427 402 2HZ LYS 48 2HZ LYS 48 -10.769 -7.548 -3.020 403 3HZ LYS 48 3HZ LYS 48 -11.699 -6.650 -2.022 404 H GLU 49 H GLU 49 -8.322 -1.745 -0.046 405 HA GLU 49 HA GLU 49 -11.063 -1.835 0.406 406 1HB GLU 49 1HB GLU 49 -8.836 -0.297 1.808 407 2HB GLU 49 2HB GLU 49 -10.476 -0.388 2.420 408 1HG GLU 49 1HG GLU 49 -10.320 -2.680 2.919 409 2HG GLU 49 2HG GLU 49 -9.083 -2.971 1.712 410 H LYS 50 H LYS 50 -9.936 -0.223 -2.018 411 HA LYS 50 HA LYS 50 -10.604 1.526 -3.190 412 1HB LYS 50 1HB LYS 50 -12.869 1.031 -2.653 413 2HB LYS 50 2HB LYS 50 -12.716 1.678 -1.032 414 1HG LYS 50 1HG LYS 50 -13.185 3.784 -1.743 415 2HG LYS 50 2HG LYS 50 -11.942 3.710 -2.976 416 1HD LYS 50 1HD LYS 50 -13.454 2.629 -4.554 417 2HD LYS 50 2HD LYS 50 -14.667 2.382 -3.314 418 1HE LYS 50 1HE LYS 50 -15.582 4.352 -3.992 419 2HE LYS 50 2HE LYS 50 -14.237 5.142 -3.194 420 1HZ LYS 50 1HZ LYS 50 -14.727 5.444 -5.733 421 2HZ LYS 50 2HZ LYS 50 -13.205 5.497 -5.145 422 3HZ LYS 50 3HZ LYS 50 -13.756 4.136 -5.859 423 H GLY 51 H GLY 51 -8.303 1.818 -1.787 424 1HA GLY 51 1HA GLY 51 -8.509 4.544 -0.651 425 2HA GLY 51 2HA GLY 51 -7.371 3.329 -0.104 426 H PHE 52 H PHE 52 -5.456 2.909 -1.279 427 HA PHE 52 HA PHE 52 -4.797 4.978 -3.182 428 1HB PHE 52 1HB PHE 52 -3.220 2.584 -2.061 429 2HB PHE 52 2HB PHE 52 -2.514 3.969 -2.870 430 HD1 PHE 52 HD1 PHE 52 -3.912 6.219 -1.603 431 HD2 PHE 52 HD2 PHE 52 -2.404 2.641 0.109 432 HE1 PHE 52 HE1 PHE 52 -3.659 7.382 0.607 433 HE2 PHE 52 HE2 PHE 52 -2.152 3.804 2.318 434 HZ PHE 52 HZ PHE 52 -2.782 6.161 2.541 435 H LYS 53 H LYS 53 -3.609 4.409 -5.230 436 HA LYS 53 HA LYS 53 -4.967 2.148 -6.479 437 1HB LYS 53 1HB LYS 53 -4.235 4.825 -7.303 438 2HB LYS 53 2HB LYS 53 -3.555 3.646 -8.406 439 1HG LYS 53 1HG LYS 53 -6.425 3.301 -7.525 440 2HG LYS 53 2HG LYS 53 -6.061 4.539 -8.710 441 1HD LYS 53 1HD LYS 53 -4.644 2.136 -9.467 442 2HD LYS 53 2HD LYS 53 -6.305 1.697 -9.120 443 1HE LYS 53 1HE LYS 53 -6.579 4.074 -10.583 444 2HE LYS 53 2HE LYS 53 -5.216 3.293 -11.359 445 1HZ LYS 53 1HZ LYS 53 -6.725 2.070 -12.375 446 2HZ LYS 53 2HZ LYS 53 -7.002 1.296 -10.964 447 3HZ LYS 53 3HZ LYS 53 -7.942 2.558 -11.402 448 H VAL 54 H VAL 54 -3.775 0.350 -5.820 449 HA VAL 54 HA VAL 54 -0.980 0.380 -6.728 450 HB VAL 54 HB VAL 54 -1.803 -1.451 -4.545 451 1HG1 VAL 54 1HG1 VAL 54 0.451 -1.083 -3.780 452 2HG1 VAL 54 2HG1 VAL 54 0.495 -1.359 -5.538 453 3HG1 VAL 54 3HG1 VAL 54 0.657 0.292 -4.891 454 1HG2 VAL 54 1HG2 VAL 54 -1.846 1.529 -4.298 455 2HG2 VAL 54 2HG2 VAL 54 -2.817 0.295 -3.460 456 3HG2 VAL 54 3HG2 VAL 54 -1.132 0.586 -2.969 457 H ALA 55 H ALA 55 -0.896 -2.563 -5.956 458 HA ALA 55 HA ALA 55 -2.755 -4.137 -7.068 459 1HB ALA 55 1HB ALA 55 -2.934 -3.515 -9.229 460 2HB ALA 55 2HB ALA 55 -1.484 -2.487 -9.133 461 3HB ALA 55 3HB ALA 55 -1.320 -4.229 -9.458 462 H ARG 56 H ARG 56 -2.059 -6.291 -7.000 463 HA ARG 56 HA ARG 56 -0.109 -7.050 -5.491 464 1HB ARG 56 1HB ARG 56 -0.779 -8.398 -8.156 465 2HB ARG 56 2HB ARG 56 0.056 -9.189 -6.834 466 1HG ARG 56 1HG ARG 56 -2.391 -7.908 -5.867 467 2HG ARG 56 2HG ARG 56 -2.754 -8.975 -7.209 468 1HD ARG 56 1HD ARG 56 -0.902 -9.985 -5.043 469 2HD ARG 56 2HD ARG 56 -2.617 -9.904 -4.696 470 HE ARG 56 HE ARG 56 -2.205 -11.153 -7.261 471 1HH1 ARG 56 1HH1 ARG 56 -1.888 -11.779 -3.813 472 2HH1 ARG 56 2HH1 ARG 56 -2.083 -13.492 -3.976 473 1HH2 ARG 56 1HH2 ARG 56 -2.462 -13.414 -7.477 474 2HH2 ARG 56 2HH2 ARG 56 -2.411 -14.428 -6.074 475 H ARG 57 H ARG 57 0.320 -6.316 -9.013 476 HA ARG 57 HA ARG 57 2.977 -7.017 -9.146 477 1HB ARG 57 1HB ARG 57 1.786 -4.716 -10.746 478 2HB ARG 57 2HB ARG 57 2.990 -5.879 -11.264 479 1HG ARG 57 1HG ARG 57 1.292 -7.072 -12.185 480 2HG ARG 57 2HG ARG 57 0.814 -7.500 -10.554 481 1HD ARG 57 1HD ARG 57 -0.893 -5.888 -10.474 482 2HD ARG 57 2HD ARG 57 -0.103 -4.832 -11.629 483 HE ARG 57 HE ARG 57 -2.002 -6.891 -12.258 484 1HH1 ARG 57 1HH1 ARG 57 1.002 -5.505 -13.458 485 2HH1 ARG 57 2HH1 ARG 57 0.688 -5.930 -15.108 486 1HH2 ARG 57 1HH2 ARG 57 -2.416 -7.453 -14.434 487 2HH2 ARG 57 2HH2 ARG 57 -1.269 -7.045 -15.667 488 H THR 58 H THR 58 1.428 -3.753 -8.684 489 HA THR 58 HA THR 58 3.828 -2.347 -8.363 490 HB THR 58 HB THR 58 0.891 -1.935 -7.765 491 HG1 THR 58 HG1 THR 58 1.298 -0.491 -9.477 492 1HG2 THR 58 1HG2 THR 58 1.255 0.210 -6.775 493 2HG2 THR 58 2HG2 THR 58 2.379 -0.848 -5.888 494 3HG2 THR 58 3HG2 THR 58 2.985 0.201 -7.192 495 H VAL 59 H VAL 59 1.656 -3.927 -5.953 496 HA VAL 59 HA VAL 59 3.050 -3.041 -3.710 497 HB VAL 59 HB VAL 59 1.670 -5.704 -3.888 498 1HG1 VAL 59 1HG1 VAL 59 0.958 -5.206 -1.641 499 2HG1 VAL 59 2HG1 VAL 59 2.712 -4.922 -1.748 500 3HG1 VAL 59 3HG1 VAL 59 1.585 -3.544 -1.757 501 1HG2 VAL 59 1HG2 VAL 59 -0.329 -3.872 -3.273 502 2HG2 VAL 59 2HG2 VAL 59 0.546 -3.109 -4.622 503 3HG2 VAL 59 3HG2 VAL 59 -0.130 -4.745 -4.811 504 H ALA 60 H ALA 60 3.415 -5.999 -5.760 505 HA ALA 60 HA ALA 60 5.341 -7.270 -4.259 506 1HB ALA 60 1HB ALA 60 4.482 -7.219 -7.124 507 2HB ALA 60 2HB ALA 60 6.048 -7.982 -6.757 508 3HB ALA 60 3HB ALA 60 4.563 -8.580 -5.979 509 H LYS 61 H LYS 61 5.643 -4.617 -6.678 510 HA LYS 61 HA LYS 61 8.445 -4.624 -6.745 511 1HB LYS 61 1HB LYS 61 6.283 -3.160 -7.909 512 2HB LYS 61 2HB LYS 61 7.411 -2.001 -7.235 513 1HG LYS 61 1HG LYS 61 9.279 -2.997 -8.470 514 2HG LYS 61 2HG LYS 61 8.278 -4.331 -9.007 515 1HD LYS 61 1HD LYS 61 7.176 -1.647 -9.671 516 2HD LYS 61 2HD LYS 61 8.712 -1.996 -10.439 517 1HE LYS 61 1HE LYS 61 7.540 -4.348 -10.977 518 2HE LYS 61 2HE LYS 61 6.068 -3.426 -10.749 519 1HZ LYS 61 1HZ LYS 61 6.414 -2.907 -12.872 520 2HZ LYS 61 2HZ LYS 61 7.472 -1.800 -12.302 521 3HZ LYS 61 3HZ LYS 61 8.012 -3.243 -12.843 522 H TYR 62 H TYR 62 6.034 -2.915 -4.681 523 HA TYR 62 HA TYR 62 7.903 -1.310 -3.341 524 1HB TYR 62 1HB TYR 62 5.090 -2.396 -3.033 525 2HB TYR 62 2HB TYR 62 5.816 -1.750 -1.575 526 HD1 TYR 62 HD1 TYR 62 5.114 0.398 -1.089 527 HD2 TYR 62 HD2 TYR 62 5.706 -0.690 -5.184 528 HE1 TYR 62 HE1 TYR 62 4.465 2.747 -1.814 529 HE2 TYR 62 HE2 TYR 62 5.055 1.662 -5.896 530 HH TYR 62 HH TYR 62 4.998 4.215 -3.839 531 H ARG 63 H ARG 63 6.567 -4.598 -2.670 532 HA ARG 63 HA ARG 63 7.515 -4.915 -0.161 533 1HB ARG 63 1HB ARG 63 6.079 -6.575 -1.289 534 2HB ARG 63 2HB ARG 63 7.351 -6.958 -2.431 535 1HG ARG 63 1HG ARG 63 8.687 -7.403 -0.077 536 2HG ARG 63 2HG ARG 63 7.053 -7.784 0.430 537 1HD ARG 63 1HD ARG 63 6.850 -9.586 -1.081 538 2HD ARG 63 2HD ARG 63 8.054 -8.941 -2.179 539 HE ARG 63 HE ARG 63 9.327 -9.499 0.323 540 1HH1 ARG 63 1HH1 ARG 63 7.874 -11.191 -2.399 541 2HH1 ARG 63 2HH1 ARG 63 8.845 -12.611 -2.199 542 1HH2 ARG 63 1HH2 ARG 63 10.609 -11.373 0.587 543 2HH2 ARG 63 2HH2 ARG 63 10.411 -12.715 -0.490 544 H GLU 64 H GLU 64 9.223 -5.335 -3.311 545 HA GLU 64 HA GLU 64 11.559 -6.367 -2.137 546 1HB GLU 64 1HB GLU 64 10.539 -5.938 -4.760 547 2HB GLU 64 2HB GLU 64 12.046 -5.046 -4.685 548 1HG GLU 64 1HG GLU 64 13.074 -7.193 -3.633 549 2HG GLU 64 2HG GLU 64 11.613 -8.011 -4.147 550 H MET 65 H MET 65 10.364 -3.099 -2.978 551 HA MET 65 HA MET 65 12.834 -1.825 -2.665 552 1HB MET 65 1HB MET 65 9.916 -0.908 -2.523 553 2HB MET 65 2HB MET 65 11.239 0.229 -2.351 554 1HG MET 65 1HG MET 65 12.128 -0.813 -4.606 555 2HG MET 65 2HG MET 65 10.502 -1.443 -4.779 556 1HE MET 65 1HE MET 65 8.254 1.021 -5.580 557 2HE MET 65 2HE MET 65 9.339 0.613 -6.931 558 3HE MET 65 3HE MET 65 8.932 -0.619 -5.714 559 H LEU 66 H LEU 66 10.428 -3.033 -0.403 560 HA LEU 66 HA LEU 66 12.113 -2.202 1.783 561 1HB LEU 66 1HB LEU 66 10.155 -1.233 3.020 562 2HB LEU 66 2HB LEU 66 10.844 -0.249 1.743 563 HG LEU 66 HG LEU 66 8.817 -1.650 0.449 564 1HD1 LEU 66 1HD1 LEU 66 8.057 -2.381 2.740 565 2HD1 LEU 66 2HD1 LEU 66 7.686 -0.674 3.079 566 3HD1 LEU 66 3HD1 LEU 66 6.843 -1.523 1.761 567 1HD2 LEU 66 1HD2 LEU 66 8.460 1.092 1.661 568 2HD2 LEU 66 2HD2 LEU 66 9.573 0.782 0.307 569 3HD2 LEU 66 3HD2 LEU 66 7.832 0.460 0.120 570 H GLY 67 H GLY 67 8.794 -3.490 1.031 571 1HA GLY 67 1HA GLY 67 8.497 -5.894 1.215 572 2HA GLY 67 2HA GLY 67 9.513 -5.865 2.643 Start of MODEL 5 1 1H THR 1 1H THR 1 -13.801 41.022 -10.118 2 HA THR 1 HA THR 1 -14.168 42.605 -12.159 3 HB THR 1 HB THR 1 -11.878 43.649 -11.474 4 HG1 THR 1 HG1 THR 1 -12.328 42.509 -14.143 5 1HG2 THR 1 1HG2 THR 1 -9.920 42.580 -12.558 6 2HG2 THR 1 2HG2 THR 1 -10.599 41.477 -11.337 7 3HG2 THR 1 3HG2 THR 1 -10.931 41.206 -13.064 8 H TYR 2 H TYR 2 -11.856 39.931 -11.387 9 HA TYR 2 HA TYR 2 -13.442 37.999 -12.617 10 1HB TYR 2 1HB TYR 2 -12.164 39.695 -14.448 11 2HB TYR 2 2HB TYR 2 -10.955 38.441 -14.259 12 HD1 TYR 2 HD1 TYR 2 -11.043 36.620 -15.696 13 HD2 TYR 2 HD2 TYR 2 -14.652 38.754 -14.848 14 HE1 TYR 2 HE1 TYR 2 -12.302 35.164 -17.357 15 HE2 TYR 2 HE2 TYR 2 -15.900 37.291 -16.511 16 HH TYR 2 HH TYR 2 -15.671 35.070 -17.477 17 H SER 3 H SER 3 -12.582 35.894 -12.310 18 HA SER 3 HA SER 3 -10.069 35.129 -12.017 19 1HB SER 3 1HB SER 3 -10.776 36.835 -9.748 20 2HB SER 3 2HB SER 3 -10.346 35.228 -9.200 21 HG SER 3 HG SER 3 -8.670 37.172 -9.890 22 H LEU 4 H LEU 4 -10.714 33.048 -12.503 23 HA LEU 4 HA LEU 4 -11.854 31.452 -10.495 24 1HB LEU 4 1HB LEU 4 -14.008 31.000 -11.298 25 2HB LEU 4 2HB LEU 4 -13.871 32.744 -11.191 26 HG LEU 4 HG LEU 4 -13.543 31.186 -13.768 27 1HD1 LEU 4 1HD1 LEU 4 -15.752 31.195 -14.144 28 2HD1 LEU 4 2HD1 LEU 4 -15.889 31.376 -12.378 29 3HD1 LEU 4 3HD1 LEU 4 -15.973 32.810 -13.429 30 1HD2 LEU 4 1HD2 LEU 4 -13.468 34.079 -13.040 31 2HD2 LEU 4 2HD2 LEU 4 -12.526 33.170 -14.245 32 3HD2 LEU 4 3HD2 LEU 4 -14.213 33.620 -14.590 33 H ARG 5 H ARG 5 -12.934 29.395 -12.145 34 HA ARG 5 HA ARG 5 -12.333 27.723 -13.374 35 1HB ARG 5 1HB ARG 5 -11.193 30.028 -14.863 36 2HB ARG 5 2HB ARG 5 -10.387 28.513 -15.221 37 1HG ARG 5 1HG ARG 5 -12.768 27.509 -15.533 38 2HG ARG 5 2HG ARG 5 -13.345 29.164 -15.533 39 1HD ARG 5 1HD ARG 5 -11.548 29.597 -17.384 40 2HD ARG 5 2HD ARG 5 -11.438 27.853 -17.512 41 HE ARG 5 HE ARG 5 -14.162 28.308 -17.656 42 1HH1 ARG 5 1HH1 ARG 5 -11.392 29.589 -19.408 43 2HH1 ARG 5 2HH1 ARG 5 -12.282 29.866 -20.868 44 1HH2 ARG 5 1HH2 ARG 5 -15.337 28.673 -19.582 45 2HH2 ARG 5 2HH2 ARG 5 -14.541 29.341 -20.968 46 H THR 6 H THR 6 -9.970 26.723 -14.469 47 HA THR 6 HA THR 6 -8.054 25.732 -13.932 48 HB THR 6 HB THR 6 -7.618 28.271 -12.271 49 HG1 THR 6 HG1 THR 6 -6.881 27.438 -14.988 50 1HG2 THR 6 1HG2 THR 6 -5.792 26.072 -13.316 51 2HG2 THR 6 2HG2 THR 6 -5.186 27.737 -13.146 52 3HG2 THR 6 3HG2 THR 6 -5.781 26.856 -11.718 53 H PHE 7 H PHE 7 -9.138 23.975 -12.934 54 HA PHE 7 HA PHE 7 -8.276 23.510 -10.315 55 1HB PHE 7 1HB PHE 7 -10.141 25.081 -9.773 56 2HB PHE 7 2HB PHE 7 -11.230 24.200 -10.826 57 HD1 PHE 7 HD1 PHE 7 -9.183 23.784 -7.746 58 HD2 PHE 7 HD2 PHE 7 -12.575 22.510 -9.955 59 HE1 PHE 7 HE1 PHE 7 -9.915 22.369 -5.806 60 HE2 PHE 7 HE2 PHE 7 -13.307 21.095 -8.016 61 HZ PHE 7 HZ PHE 7 -11.968 21.041 -5.964 62 H PHE 8 H PHE 8 -7.655 21.438 -10.792 63 HA PHE 8 HA PHE 8 -9.558 19.432 -11.006 64 1HB PHE 8 1HB PHE 8 -9.242 20.808 -13.410 65 2HB PHE 8 2HB PHE 8 -8.011 19.574 -13.587 66 HD1 PHE 8 HD1 PHE 8 -11.628 20.135 -13.125 67 HD2 PHE 8 HD2 PHE 8 -8.595 17.309 -14.035 68 HE1 PHE 8 HE1 PHE 8 -13.377 18.496 -13.869 69 HE2 PHE 8 HE2 PHE 8 -10.344 15.670 -14.778 70 HZ PHE 8 HZ PHE 8 -12.714 16.283 -14.687 71 H VAL 9 H VAL 9 -8.391 17.269 -11.841 72 HA VAL 9 HA VAL 9 -5.534 17.392 -11.323 73 HB VAL 9 HB VAL 9 -7.480 15.755 -9.686 74 1HG1 VAL 9 1HG1 VAL 9 -4.567 15.483 -10.187 75 2HG1 VAL 9 2HG1 VAL 9 -5.082 15.371 -8.487 76 3HG1 VAL 9 3HG1 VAL 9 -5.771 14.265 -9.700 77 1HG2 VAL 9 1HG2 VAL 9 -5.608 18.024 -8.935 78 2HG2 VAL 9 2HG2 VAL 9 -7.387 18.049 -8.917 79 3HG2 VAL 9 3HG2 VAL 9 -6.501 17.014 -7.772 80 H ARG 10 H ARG 10 -7.237 14.360 -10.937 81 HA ARG 10 HA ARG 10 -7.593 13.703 -13.581 82 1HB ARG 10 1HB ARG 10 -4.805 13.547 -12.682 83 2HB ARG 10 2HB ARG 10 -5.384 11.960 -13.146 84 1HG ARG 10 1HG ARG 10 -6.155 14.150 -15.015 85 2HG ARG 10 2HG ARG 10 -4.430 13.858 -14.912 86 1HD ARG 10 1HD ARG 10 -4.607 11.656 -15.734 87 2HD ARG 10 2HD ARG 10 -6.265 11.473 -15.197 88 HE ARG 10 HE ARG 10 -5.400 12.525 -17.750 89 1HH1 ARG 10 1HH1 ARG 10 -7.915 12.859 -15.312 90 2HH1 ARG 10 2HH1 ARG 10 -9.098 13.450 -16.430 91 1HH2 ARG 10 1HH2 ARG 10 -6.961 13.303 -19.226 92 2HH2 ARG 10 2HH2 ARG 10 -8.552 13.704 -18.671 93 H GLU 11 H GLU 11 -5.713 11.691 -11.238 94 HA GLU 11 HA GLU 11 -7.893 10.644 -9.903 95 1HB GLU 11 1HB GLU 11 -8.110 9.721 -12.401 96 2HB GLU 11 2HB GLU 11 -6.901 8.573 -11.860 97 1HG GLU 11 1HG GLU 11 -8.326 7.611 -10.250 98 2HG GLU 11 2HG GLU 11 -9.311 9.053 -10.101 99 H SER 12 H SER 12 -7.157 9.443 -8.131 100 HA SER 12 HA SER 12 -4.877 7.905 -8.150 101 1HB SER 12 1HB SER 12 -3.722 10.121 -8.436 102 2HB SER 12 2HB SER 12 -4.414 10.658 -6.918 103 HG SER 12 HG SER 12 -2.122 9.377 -7.225 104 H ALA 13 H ALA 13 -4.043 7.789 -5.583 105 HA ALA 13 HA ALA 13 -6.295 6.866 -4.198 106 1HB ALA 13 1HB ALA 13 -4.710 6.455 -2.397 107 2HB ALA 13 2HB ALA 13 -3.937 6.056 -3.950 108 3HB ALA 13 3HB ALA 13 -3.538 7.581 -3.123 109 H GLU 14 H GLU 14 -5.327 8.054 -1.538 110 HA GLU 14 HA GLU 14 -7.144 10.245 -1.624 111 1HB GLU 14 1HB GLU 14 -6.366 8.389 0.306 112 2HB GLU 14 2HB GLU 14 -5.605 9.863 0.870 113 1HG GLU 14 1HG GLU 14 -8.238 10.598 0.023 114 2HG GLU 14 2HG GLU 14 -8.417 9.119 0.946 115 H GLY 15 H GLY 15 -5.106 10.914 -3.337 116 1HA GLY 15 1HA GLY 15 -3.755 12.655 -3.801 117 2HA GLY 15 2HA GLY 15 -4.143 13.342 -2.236 118 H LEU 16 H LEU 16 -3.091 10.136 -1.774 119 HA LEU 16 HA LEU 16 -0.753 10.944 -0.462 120 1HB LEU 16 1HB LEU 16 -0.574 8.779 0.192 121 2HB LEU 16 2HB LEU 16 -2.283 8.863 -0.188 122 HG LEU 16 HG LEU 16 -1.667 7.919 -2.491 123 1HD1 LEU 16 1HD1 LEU 16 0.572 8.026 -2.839 124 2HD1 LEU 16 2HD1 LEU 16 0.969 7.811 -1.117 125 3HD1 LEU 16 3HD1 LEU 16 0.504 6.406 -2.106 126 1HD2 LEU 16 1HD2 LEU 16 -1.127 6.038 -0.190 127 2HD2 LEU 16 2HD2 LEU 16 -2.742 6.702 -0.533 128 3HD2 LEU 16 3HD2 LEU 16 -1.917 5.697 -1.748 129 H THR 17 H THR 17 1.481 10.589 -0.995 130 HA THR 17 HA THR 17 1.940 10.840 -3.862 131 HB THR 17 HB THR 17 4.298 11.415 -2.918 132 HG1 THR 17 HG1 THR 17 4.375 10.937 -0.760 133 1HG2 THR 17 1HG2 THR 17 1.807 12.987 -2.099 134 2HG2 THR 17 2HG2 THR 17 3.456 13.584 -1.794 135 3HG2 THR 17 3HG2 THR 17 2.900 13.321 -3.464 136 H GLN 18 H GLN 18 3.619 9.622 -4.961 137 HA GLN 18 HA GLN 18 3.275 6.943 -4.691 138 1HB GLN 18 1HB GLN 18 4.718 8.683 -6.375 139 2HB GLN 18 2HB GLN 18 5.936 7.592 -5.743 140 1HG GLN 18 1HG GLN 18 4.158 5.706 -6.322 141 2HG GLN 18 2HG GLN 18 3.463 6.930 -7.365 142 1HE2 GLN 18 1HE2 GLN 18 6.534 5.365 -6.518 143 2HE2 GLN 18 2HE2 GLN 18 7.242 5.386 -8.099 144 H GLY 19 H GLY 19 5.592 9.107 -3.057 145 1HA GLY 19 1HA GLY 19 7.255 7.024 -2.023 146 2HA GLY 19 2HA GLY 19 7.223 8.709 -1.542 147 H GLU 20 H GLU 20 4.351 8.837 -0.903 148 HA GLU 20 HA GLU 20 4.495 8.090 1.744 149 1HB GLU 20 1HB GLU 20 2.250 8.925 -0.100 150 2HB GLU 20 2HB GLU 20 1.867 8.390 1.524 151 1HG GLU 20 1HG GLU 20 4.073 10.423 1.179 152 2HG GLU 20 2HG GLU 20 2.416 10.963 0.994 153 H LEU 21 H LEU 21 3.086 6.435 -1.124 154 HA LEU 21 HA LEU 21 1.681 4.449 0.141 155 1HB LEU 21 1HB LEU 21 2.120 5.121 -2.392 156 2HB LEU 21 2HB LEU 21 3.262 3.795 -2.299 157 HG LEU 21 HG LEU 21 1.215 2.945 -3.173 158 1HD1 LEU 21 1HD1 LEU 21 2.493 1.810 -1.082 159 2HD1 LEU 21 2HD1 LEU 21 0.845 1.927 -0.418 160 3HD1 LEU 21 3HD1 LEU 21 1.130 1.057 -1.944 161 1HD2 LEU 21 1HD2 LEU 21 -0.030 4.582 -1.022 162 2HD2 LEU 21 2HD2 LEU 21 -0.542 4.303 -2.704 163 3HD2 LEU 21 3HD2 LEU 21 -0.836 3.059 -1.466 164 H MET 22 H MET 22 5.209 4.709 -0.514 165 HA MET 22 HA MET 22 5.900 2.151 0.166 166 1HB MET 22 1HB MET 22 7.425 3.881 -0.828 167 2HB MET 22 2HB MET 22 7.387 4.790 0.670 168 1HG MET 22 1HG MET 22 9.446 3.324 0.389 169 2HG MET 22 2HG MET 22 8.561 3.043 1.875 170 1HE MET 22 1HE MET 22 8.260 0.384 -1.885 171 2HE MET 22 2HE MET 22 7.577 2.025 -1.793 172 3HE MET 22 3HE MET 22 9.340 1.789 -1.725 173 H LYS 23 H LYS 23 5.999 5.090 2.319 174 HA LYS 23 HA LYS 23 6.552 3.614 4.635 175 1HB LYS 23 1HB LYS 23 6.426 6.297 3.898 176 2HB LYS 23 2HB LYS 23 5.142 6.136 5.078 177 1HG LYS 23 1HG LYS 23 6.724 5.083 6.686 178 2HG LYS 23 2HG LYS 23 8.012 5.175 5.502 179 1HD LYS 23 1HD LYS 23 8.484 7.157 6.568 180 2HD LYS 23 2HD LYS 23 7.249 7.790 5.497 181 1HE LYS 23 1HE LYS 23 5.736 8.092 7.202 182 2HE LYS 23 2HE LYS 23 6.158 6.581 7.983 183 1HZ LYS 23 1HZ LYS 23 7.352 7.746 9.394 184 2HZ LYS 23 2HZ LYS 23 8.339 8.258 8.198 185 3HZ LYS 23 3HZ LYS 23 7.031 9.144 8.613 186 H LEU 24 H LEU 24 3.556 4.414 2.900 187 HA LEU 24 HA LEU 24 1.812 3.830 5.037 188 1HB LEU 24 1HB LEU 24 1.485 5.092 2.763 189 2HB LEU 24 2HB LEU 24 1.067 3.502 2.157 190 HG LEU 24 HG LEU 24 -0.297 4.875 4.490 191 1HD1 LEU 24 1HD1 LEU 24 -1.289 4.529 1.648 192 2HD1 LEU 24 2HD1 LEU 24 -2.153 5.304 2.997 193 3HD1 LEU 24 3HD1 LEU 24 -0.670 6.044 2.347 194 1HD2 LEU 24 1HD2 LEU 24 -0.428 2.480 4.715 195 2HD2 LEU 24 2HD2 LEU 24 -2.012 3.105 4.196 196 3HD2 LEU 24 3HD2 LEU 24 -0.941 2.306 3.019 197 H ILE 25 H ILE 25 3.227 1.890 2.345 198 HA ILE 25 HA ILE 25 1.771 -0.441 2.990 199 HB ILE 25 HB ILE 25 3.952 0.356 1.174 200 1HG1 ILE 25 1HG1 ILE 25 1.532 -1.447 0.869 201 2HG1 ILE 25 2HG1 ILE 25 1.576 0.267 0.510 202 1HG2 ILE 25 1HG2 ILE 25 3.635 -2.527 2.055 203 2HG2 ILE 25 2HG2 ILE 25 4.558 -1.975 0.636 204 3HG2 ILE 25 3HG2 ILE 25 5.068 -1.493 2.272 205 1HD1 ILE 25 1HD1 ILE 25 3.564 -0.285 -1.075 206 2HD1 ILE 25 2HD1 ILE 25 3.055 -1.981 -0.900 207 3HD1 ILE 25 3HD1 ILE 25 1.936 -0.783 -1.594 208 H LYS 26 H LYS 26 5.047 0.807 3.853 209 HA LYS 26 HA LYS 26 5.791 -1.496 5.286 210 1HB LYS 26 1HB LYS 26 7.356 0.195 4.353 211 2HB LYS 26 2HB LYS 26 6.805 1.350 5.549 212 1HG LYS 26 1HG LYS 26 7.802 0.200 7.336 213 2HG LYS 26 2HG LYS 26 7.725 -1.352 6.525 214 1HD LYS 26 1HD LYS 26 9.385 0.389 4.930 215 2HD LYS 26 2HD LYS 26 9.918 0.523 6.594 216 1HE LYS 26 1HE LYS 26 10.089 -1.968 6.746 217 2HE LYS 26 2HE LYS 26 9.540 -2.110 5.087 218 1HZ LYS 26 1HZ LYS 26 11.618 -1.826 4.474 219 2HZ LYS 26 2HZ LYS 26 11.632 -0.317 5.099 220 3HZ LYS 26 3HZ LYS 26 12.112 -1.583 6.012 221 H GLU 27 H GLU 27 3.927 1.438 6.079 222 HA GLU 27 HA GLU 27 4.071 1.325 8.798 223 1HB GLU 27 1HB GLU 27 2.328 2.533 6.779 224 2HB GLU 27 2HB GLU 27 1.415 2.089 8.207 225 1HG GLU 27 1HG GLU 27 2.721 3.471 9.636 226 2HG GLU 27 2HG GLU 27 4.061 3.539 8.509 227 H ILE 28 H ILE 28 2.027 -0.556 6.519 228 HA ILE 28 HA ILE 28 0.424 -1.728 8.527 229 HB ILE 28 HB ILE 28 0.976 -2.250 5.631 230 1HG1 ILE 28 1HG1 ILE 28 -1.790 -2.022 6.426 231 2HG1 ILE 28 2HG1 ILE 28 -0.871 -0.690 7.100 232 1HG2 ILE 28 1HG2 ILE 28 0.583 -4.432 5.912 233 2HG2 ILE 28 2HG2 ILE 28 0.005 -4.211 7.581 234 3HG2 ILE 28 3HG2 ILE 28 -1.104 -3.950 6.213 235 1HD1 ILE 28 1HD1 ILE 28 -1.837 -0.783 4.515 236 2HD1 ILE 28 2HD1 ILE 28 -0.492 0.252 5.053 237 3HD1 ILE 28 3HD1 ILE 28 -0.155 -1.321 4.290 238 H VAL 29 H VAL 29 3.518 -2.605 6.923 239 HA VAL 29 HA VAL 29 3.618 -5.110 8.345 240 HB VAL 29 HB VAL 29 5.994 -4.008 6.955 241 1HG1 VAL 29 1HG1 VAL 29 6.231 -6.234 7.632 242 2HG1 VAL 29 2HG1 VAL 29 4.565 -6.657 7.169 243 3HG1 VAL 29 3HG1 VAL 29 5.793 -6.374 5.912 244 1HG2 VAL 29 1HG2 VAL 29 3.321 -4.293 5.651 245 2HG2 VAL 29 2HG2 VAL 29 4.665 -3.185 5.285 246 3HG2 VAL 29 3HG2 VAL 29 4.746 -4.885 4.763 247 H GLU 30 H GLU 30 3.985 -1.920 9.237 248 HA GLU 30 HA GLU 30 6.365 -1.711 10.482 249 1HB GLU 30 1HB GLU 30 4.456 -0.003 10.307 250 2HB GLU 30 2HB GLU 30 3.744 -0.768 11.713 251 1HG GLU 30 1HG GLU 30 6.569 -0.257 12.211 252 2HG GLU 30 2HG GLU 30 5.796 1.217 11.664 253 H ASN 31 H ASN 31 3.589 -3.725 11.371 254 HA ASN 31 HA ASN 31 5.227 -5.034 13.297 255 1HB ASN 31 1HB ASN 31 3.766 -4.726 15.219 256 2HB ASN 31 2HB ASN 31 4.122 -3.128 14.594 257 1HD2 ASN 31 1HD2 ASN 31 2.578 -2.277 12.939 258 2HD2 ASN 31 2HD2 ASN 31 0.884 -2.538 13.191 259 H GLU 32 H GLU 32 4.207 -5.900 10.817 260 HA GLU 32 HA GLU 32 1.756 -6.865 10.565 261 1HB GLU 32 1HB GLU 32 3.090 -8.982 9.528 262 2HB GLU 32 2HB GLU 32 3.012 -7.424 8.730 263 1HG GLU 32 1HG GLU 32 5.202 -6.831 9.351 264 2HG GLU 32 2HG GLU 32 5.203 -7.875 10.759 265 H ASP 33 H ASP 33 0.756 -9.052 10.905 266 HA ASP 33 HA ASP 33 1.227 -9.836 13.606 267 1HB ASP 33 1HB ASP 33 -1.004 -9.717 11.997 268 2HB ASP 33 2HB ASP 33 -0.627 -11.424 11.878 269 H LYS 34 H LYS 34 1.505 -12.222 14.175 270 HA LYS 34 HA LYS 34 3.602 -13.360 12.704 271 1HB LYS 34 1HB LYS 34 1.959 -14.087 15.078 272 2HB LYS 34 2HB LYS 34 2.784 -15.400 14.264 273 1HG LYS 34 1HG LYS 34 4.485 -12.997 14.615 274 2HG LYS 34 2HG LYS 34 3.931 -13.675 16.133 275 1HD LYS 34 1HD LYS 34 4.747 -15.848 14.393 276 2HD LYS 34 2HD LYS 34 6.023 -14.648 14.424 277 1HE LYS 34 1HE LYS 34 4.709 -15.824 16.921 278 2HE LYS 34 2HE LYS 34 6.228 -16.383 16.249 279 1HZ LYS 34 1HZ LYS 34 5.688 -13.663 17.221 280 2HZ LYS 34 2HZ LYS 34 6.603 -14.789 17.970 281 3HZ LYS 34 3HZ LYS 34 7.096 -14.148 16.551 282 H ARG 35 H ARG 35 0.340 -14.836 13.323 283 HA ARG 35 HA ARG 35 0.665 -16.467 11.047 284 1HB ARG 35 1HB ARG 35 -1.601 -17.299 11.616 285 2HB ARG 35 2HB ARG 35 -0.610 -17.204 13.058 286 1HG ARG 35 1HG ARG 35 -1.712 -14.685 13.062 287 2HG ARG 35 2HG ARG 35 -3.001 -15.583 12.286 288 1HD ARG 35 1HD ARG 35 -3.652 -16.397 14.302 289 2HD ARG 35 2HD ARG 35 -2.099 -17.187 14.490 290 HE ARG 35 HE ARG 35 -1.916 -14.352 15.097 291 1HH1 ARG 35 1HH1 ARG 35 -2.921 -17.454 16.420 292 2HH1 ARG 35 2HH1 ARG 35 -2.702 -16.966 18.067 293 1HH2 ARG 35 1HH2 ARG 35 -1.626 -13.708 17.270 294 2HH2 ARG 35 2HH2 ARG 35 -1.961 -14.822 18.554 295 H LYS 36 H LYS 36 -0.111 -13.209 11.409 296 HA LYS 36 HA LYS 36 -1.524 -13.220 8.845 297 1HB LYS 36 1HB LYS 36 -2.447 -12.081 11.436 298 2HB LYS 36 2HB LYS 36 -2.672 -11.078 10.017 299 1HG LYS 36 1HG LYS 36 -3.734 -13.112 8.868 300 2HG LYS 36 2HG LYS 36 -3.681 -13.930 10.417 301 1HD LYS 36 1HD LYS 36 -5.809 -13.015 10.562 302 2HD LYS 36 2HD LYS 36 -4.895 -11.700 11.274 303 1HE LYS 36 1HE LYS 36 -6.112 -10.505 9.690 304 2HE LYS 36 2HE LYS 36 -4.688 -10.877 8.738 305 1HZ LYS 36 1HZ LYS 36 -6.084 -11.842 7.350 306 2HZ LYS 36 2HZ LYS 36 -6.290 -13.042 8.438 307 3HZ LYS 36 3HZ LYS 36 -7.337 -11.790 8.396 308 HA PRO 37 HA PRO 37 2.090 -10.567 8.687 309 1HB PRO 37 1HB PRO 37 3.021 -11.423 6.264 310 2HB PRO 37 2HB PRO 37 3.553 -12.102 7.789 311 1HG PRO 37 1HG PRO 37 1.708 -13.258 5.790 312 2HG PRO 37 2HG PRO 37 2.574 -14.066 7.081 313 1HD PRO 37 1HD PRO 37 -0.209 -13.371 7.054 314 2HD PRO 37 2HD PRO 37 0.683 -14.074 8.388 315 H TYR 38 H TYR 38 2.896 -9.573 6.163 316 HA TYR 38 HA TYR 38 0.466 -8.505 5.014 317 1HB TYR 38 1HB TYR 38 2.621 -6.957 6.571 318 2HB TYR 38 2HB TYR 38 1.583 -6.145 5.416 319 HD1 TYR 38 HD1 TYR 38 -0.991 -7.682 6.029 320 HD2 TYR 38 HD2 TYR 38 1.936 -5.868 8.568 321 HE1 TYR 38 HE1 TYR 38 -2.748 -7.362 7.839 322 HE2 TYR 38 HE2 TYR 38 0.170 -5.554 10.369 323 HH TYR 38 HH TYR 38 -3.207 -6.434 9.754 324 H SER 39 H SER 39 1.848 -10.133 3.538 325 HA SER 39 HA SER 39 4.149 -8.968 2.387 326 1HB SER 39 1HB SER 39 3.313 -10.895 0.585 327 2HB SER 39 2HB SER 39 4.356 -11.188 1.963 328 HG SER 39 HG SER 39 2.746 -12.627 2.332 329 H ASP 40 H ASP 40 3.860 -9.304 -0.380 330 HA ASP 40 HA ASP 40 2.692 -6.939 -1.107 331 1HB ASP 40 1HB ASP 40 2.836 -7.889 -3.465 332 2HB ASP 40 2HB ASP 40 4.329 -7.955 -2.549 333 H GLN 41 H GLN 41 1.436 -10.292 -0.917 334 HA GLN 41 HA GLN 41 -0.859 -9.887 -2.431 335 1HB GLN 41 1HB GLN 41 -0.716 -12.131 -2.141 336 2HB GLN 41 2HB GLN 41 0.274 -11.963 -0.705 337 1HG GLN 41 1HG GLN 41 -1.820 -13.065 -0.089 338 2HG GLN 41 2HG GLN 41 -1.785 -11.475 0.646 339 1HE2 GLN 41 1HE2 GLN 41 -4.136 -12.086 0.714 340 2HE2 GLN 41 2HE2 GLN 41 -5.143 -11.572 -0.598 341 H GLU 42 H GLU 42 -0.252 -9.734 1.142 342 HA GLU 42 HA GLU 42 -2.879 -9.131 1.798 343 1HB GLU 42 1HB GLU 42 -0.576 -9.702 3.192 344 2HB GLU 42 2HB GLU 42 -0.746 -7.992 3.537 345 1HG GLU 42 1HG GLU 42 -1.925 -9.448 5.212 346 2HG GLU 42 2HG GLU 42 -3.000 -8.314 4.420 347 H ILE 43 H ILE 43 0.001 -6.897 1.806 348 HA ILE 43 HA ILE 43 -1.291 -4.555 2.164 349 HB ILE 43 HB ILE 43 1.236 -5.443 1.042 350 1HG1 ILE 43 1HG1 ILE 43 1.646 -3.000 2.214 351 2HG1 ILE 43 2HG1 ILE 43 0.178 -3.520 3.017 352 1HG2 ILE 43 1HG2 ILE 43 0.230 -2.745 0.103 353 2HG2 ILE 43 2HG2 ILE 43 1.825 -3.473 -0.201 354 3HG2 ILE 43 3HG2 ILE 43 0.366 -4.190 -0.926 355 1HD1 ILE 43 1HD1 ILE 43 1.846 -4.470 4.375 356 2HD1 ILE 43 2HD1 ILE 43 1.435 -5.825 3.297 357 3HD1 ILE 43 3HD1 ILE 43 2.894 -4.854 2.989 358 H ALA 44 H ALA 44 -0.852 -6.328 -0.957 359 HA ALA 44 HA ALA 44 -2.025 -4.418 -2.589 360 1HB ALA 44 1HB ALA 44 -2.475 -6.455 -4.064 361 2HB ALA 44 2HB ALA 44 -0.788 -6.231 -3.541 362 3HB ALA 44 3HB ALA 44 -1.814 -7.445 -2.740 363 H ASN 45 H ASN 45 -3.459 -7.104 -0.648 364 HA ASN 45 HA ASN 45 -6.035 -6.739 -1.635 365 1HB ASN 45 1HB ASN 45 -4.769 -8.109 0.733 366 2HB ASN 45 2HB ASN 45 -6.493 -7.810 0.836 367 1HD2 ASN 45 1HD2 ASN 45 -3.978 -9.109 -1.302 368 2HD2 ASN 45 2HD2 ASN 45 -4.927 -10.359 -2.035 369 H ILE 46 H ILE 46 -4.055 -5.166 0.860 370 HA ILE 46 HA ILE 46 -6.155 -4.027 2.352 371 HB ILE 46 HB ILE 46 -3.217 -3.724 2.121 372 1HG1 ILE 46 1HG1 ILE 46 -5.159 -4.070 4.423 373 2HG1 ILE 46 2HG1 ILE 46 -4.184 -5.322 3.680 374 1HG2 ILE 46 1HG2 ILE 46 -3.463 -1.451 2.131 375 2HG2 ILE 46 2HG2 ILE 46 -5.042 -1.507 2.950 376 3HG2 ILE 46 3HG2 ILE 46 -3.547 -1.778 3.879 377 1HD1 ILE 46 1HD1 ILE 46 -2.631 -4.834 5.270 378 2HD1 ILE 46 2HD1 ILE 46 -2.283 -3.377 4.309 379 3HD1 ILE 46 3HD1 ILE 46 -3.419 -3.291 5.676 380 H LEU 47 H LEU 47 -4.358 -3.058 -0.593 381 HA LEU 47 HA LEU 47 -5.183 -0.422 -0.710 382 1HB LEU 47 1HB LEU 47 -4.254 -0.403 -2.766 383 2HB LEU 47 2HB LEU 47 -3.509 -1.854 -2.123 384 HG LEU 47 HG LEU 47 -5.710 -2.941 -3.278 385 1HD1 LEU 47 1HD1 LEU 47 -4.997 -0.551 -5.000 386 2HD1 LEU 47 2HD1 LEU 47 -6.057 -1.900 -5.474 387 3HD1 LEU 47 3HD1 LEU 47 -6.534 -0.819 -4.143 388 1HD2 LEU 47 1HD2 LEU 47 -2.973 -3.012 -3.645 389 2HD2 LEU 47 2HD2 LEU 47 -4.174 -4.041 -4.463 390 3HD2 LEU 47 3HD2 LEU 47 -3.589 -2.556 -5.251 391 H LYS 48 H LYS 48 -6.873 -3.462 -1.532 392 HA LYS 48 HA LYS 48 -8.956 -2.376 -2.998 393 1HB LYS 48 1HB LYS 48 -8.311 -4.888 -1.679 394 2HB LYS 48 2HB LYS 48 -10.020 -4.523 -1.546 395 1HG LYS 48 1HG LYS 48 -9.625 -3.853 -4.166 396 2HG LYS 48 2HG LYS 48 -8.377 -5.071 -3.993 397 1HD LYS 48 1HD LYS 48 -11.171 -5.643 -2.967 398 2HD LYS 48 2HD LYS 48 -10.837 -5.784 -4.681 399 1HE LYS 48 1HE LYS 48 -8.912 -7.342 -4.127 400 2HE LYS 48 2HE LYS 48 -9.378 -7.264 -2.440 401 1HZ LYS 48 1HZ LYS 48 -11.677 -7.907 -3.479 402 2HZ LYS 48 2HZ LYS 48 -10.730 -8.553 -4.642 403 3HZ LYS 48 3HZ LYS 48 -10.567 -9.040 -3.092 404 H GLU 49 H GLU 49 -8.185 -2.187 0.428 405 HA GLU 49 HA GLU 49 -10.541 -1.893 1.626 406 1HB GLU 49 1HB GLU 49 -8.011 -0.236 1.964 407 2HB GLU 49 2HB GLU 49 -9.369 -0.105 3.063 408 1HG GLU 49 1HG GLU 49 -8.485 -2.900 2.509 409 2HG GLU 49 2HG GLU 49 -7.302 -1.912 3.344 410 H LYS 50 H LYS 50 -9.155 0.224 -0.834 411 HA LYS 50 HA LYS 50 -11.626 1.549 -1.178 412 1HB LYS 50 1HB LYS 50 -10.455 2.658 0.911 413 2HB LYS 50 2HB LYS 50 -9.486 3.464 -0.307 414 1HG LYS 50 1HG LYS 50 -12.393 3.453 -0.918 415 2HG LYS 50 2HG LYS 50 -11.991 4.303 0.561 416 1HD LYS 50 1HD LYS 50 -10.305 5.671 -0.672 417 2HD LYS 50 2HD LYS 50 -10.676 4.808 -2.151 418 1HE LYS 50 1HE LYS 50 -13.102 5.883 -0.856 419 2HE LYS 50 2HE LYS 50 -11.944 7.142 -1.235 420 1HZ LYS 50 1HZ LYS 50 -11.853 5.817 -3.470 421 2HZ LYS 50 2HZ LYS 50 -13.362 5.376 -3.030 422 3HZ LYS 50 3HZ LYS 50 -12.992 6.957 -3.203 423 H GLY 51 H GLY 51 -8.078 1.388 -1.687 424 1HA GLY 51 1HA GLY 51 -8.019 0.925 -4.323 425 2HA GLY 51 2HA GLY 51 -8.284 2.657 -4.288 426 H PHE 52 H PHE 52 -6.778 3.869 -2.577 427 HA PHE 52 HA PHE 52 -4.734 4.523 -2.078 428 1HB PHE 52 1HB PHE 52 -4.736 1.519 -1.777 429 2HB PHE 52 2HB PHE 52 -3.149 2.259 -1.812 430 HD1 PHE 52 HD1 PHE 52 -2.847 1.395 0.500 431 HD2 PHE 52 HD2 PHE 52 -5.833 4.260 -0.439 432 HE1 PHE 52 HE1 PHE 52 -3.062 1.969 2.934 433 HE2 PHE 52 HE2 PHE 52 -6.047 4.835 1.995 434 HZ PHE 52 HZ PHE 52 -4.659 3.682 3.652 435 H LYS 53 H LYS 53 -5.530 3.496 -4.990 436 HA LYS 53 HA LYS 53 -4.548 3.209 -6.967 437 1HB LYS 53 1HB LYS 53 -4.036 5.686 -6.015 438 2HB LYS 53 2HB LYS 53 -2.393 5.143 -6.289 439 1HG LYS 53 1HG LYS 53 -3.939 4.311 -8.564 440 2HG LYS 53 2HG LYS 53 -4.368 5.979 -8.239 441 1HD LYS 53 1HD LYS 53 -2.466 6.542 -9.354 442 2HD LYS 53 2HD LYS 53 -1.599 6.018 -7.924 443 1HE LYS 53 1HE LYS 53 -1.269 3.784 -8.836 444 2HE LYS 53 2HE LYS 53 -2.379 4.091 -10.157 445 1HZ LYS 53 1HZ LYS 53 -0.605 4.744 -11.267 446 2HZ LYS 53 2HZ LYS 53 -0.544 6.080 -10.329 447 3HZ LYS 53 3HZ LYS 53 0.351 4.770 -9.943 448 H VAL 54 H VAL 54 -3.954 0.979 -5.875 449 HA VAL 54 HA VAL 54 -1.060 0.684 -6.252 450 HB VAL 54 HB VAL 54 -2.458 -1.087 -4.318 451 1HG1 VAL 54 1HG1 VAL 54 0.164 0.185 -3.736 452 2HG1 VAL 54 2HG1 VAL 54 -0.364 -1.504 -3.547 453 3HG1 VAL 54 3HG1 VAL 54 0.107 -0.893 -5.152 454 1HG2 VAL 54 1HG2 VAL 54 -1.577 1.713 -3.541 455 2HG2 VAL 54 2HG2 VAL 54 -3.270 1.203 -3.741 456 3HG2 VAL 54 3HG2 VAL 54 -2.262 0.463 -2.474 457 H ALA 55 H ALA 55 -1.078 -2.170 -5.937 458 HA ALA 55 HA ALA 55 -2.921 -3.680 -7.093 459 1HB ALA 55 1HB ALA 55 -1.804 -1.793 -9.104 460 2HB ALA 55 2HB ALA 55 -1.906 -3.495 -9.613 461 3HB ALA 55 3HB ALA 55 -3.370 -2.639 -9.073 462 H ARG 56 H ARG 56 -2.102 -5.780 -7.633 463 HA ARG 56 HA ARG 56 -0.042 -6.689 -6.357 464 1HB ARG 56 1HB ARG 56 -0.795 -7.503 -9.208 465 2HB ARG 56 2HB ARG 56 0.213 -8.476 -8.156 466 1HG ARG 56 1HG ARG 56 -1.832 -8.165 -6.449 467 2HG ARG 56 2HG ARG 56 -2.734 -7.855 -7.919 468 1HD ARG 56 1HD ARG 56 -2.955 -10.194 -7.676 469 2HD ARG 56 2HD ARG 56 -1.633 -10.063 -8.818 470 HE ARG 56 HE ARG 56 -0.687 -10.082 -6.062 471 1HH1 ARG 56 1HH1 ARG 56 -1.750 -12.140 -8.711 472 2HH1 ARG 56 2HH1 ARG 56 -0.888 -13.531 -8.146 473 1HH2 ARG 56 1HH2 ARG 56 0.452 -11.918 -5.316 474 2HH2 ARG 56 2HH2 ARG 56 0.373 -13.404 -6.201 475 H ARG 57 H ARG 57 0.175 -5.222 -9.663 476 HA ARG 57 HA ARG 57 2.860 -5.693 -10.028 477 1HB ARG 57 1HB ARG 57 1.217 -4.924 -11.790 478 2HB ARG 57 2HB ARG 57 1.207 -3.331 -11.059 479 1HG ARG 57 1HG ARG 57 2.776 -3.218 -12.880 480 2HG ARG 57 2HG ARG 57 3.735 -3.239 -11.414 481 1HD ARG 57 1HD ARG 57 4.826 -5.080 -12.167 482 2HD ARG 57 2HD ARG 57 3.323 -5.980 -12.124 483 HE ARG 57 HE ARG 57 3.254 -5.854 -14.449 484 1HH1 ARG 57 1HH1 ARG 57 5.197 -3.177 -13.246 485 2HH1 ARG 57 2HH1 ARG 57 5.625 -2.611 -14.826 486 1HH2 ARG 57 1HH2 ARG 57 3.819 -5.107 -16.533 487 2HH2 ARG 57 2HH2 ARG 57 4.836 -3.716 -16.708 488 H THR 58 H THR 58 1.134 -2.721 -8.825 489 HA THR 58 HA THR 58 3.450 -1.236 -8.309 490 HB THR 58 HB THR 58 0.539 -1.189 -7.450 491 HG1 THR 58 HG1 THR 58 1.187 -0.331 -9.519 492 1HG2 THR 58 1HG2 THR 58 2.604 0.923 -6.669 493 2HG2 THR 58 2HG2 THR 58 0.887 0.858 -6.207 494 3HG2 THR 58 3HG2 THR 58 2.037 -0.316 -5.523 495 H VAL 59 H VAL 59 1.538 -3.467 -6.216 496 HA VAL 59 HA VAL 59 2.982 -2.967 -3.889 497 HB VAL 59 HB VAL 59 1.793 -5.634 -4.604 498 1HG1 VAL 59 1HG1 VAL 59 1.961 -3.993 -2.056 499 2HG1 VAL 59 2HG1 VAL 59 1.032 -5.503 -2.217 500 3HG1 VAL 59 3HG1 VAL 59 2.801 -5.519 -2.422 501 1HG2 VAL 59 1HG2 VAL 59 -0.133 -4.655 -5.184 502 2HG2 VAL 59 2HG2 VAL 59 -0.279 -4.139 -3.487 503 3HG2 VAL 59 3HG2 VAL 59 0.449 -3.047 -4.690 504 H ALA 60 H ALA 60 3.469 -5.353 -6.560 505 HA ALA 60 HA ALA 60 5.547 -6.772 -5.458 506 1HB ALA 60 1HB ALA 60 4.344 -7.325 -7.554 507 2HB ALA 60 2HB ALA 60 5.133 -5.949 -8.362 508 3HB ALA 60 3HB ALA 60 6.109 -7.323 -7.789 509 H LYS 61 H LYS 61 5.572 -3.619 -7.216 510 HA LYS 61 HA LYS 61 8.368 -3.388 -7.282 511 1HB LYS 61 1HB LYS 61 6.072 -1.456 -7.575 512 2HB LYS 61 2HB LYS 61 7.729 -0.886 -7.566 513 1HG LYS 61 1HG LYS 61 8.119 -2.802 -9.359 514 2HG LYS 61 2HG LYS 61 6.378 -2.736 -9.552 515 1HD LYS 61 1HD LYS 61 7.097 -1.174 -11.155 516 2HD LYS 61 2HD LYS 61 6.723 -0.139 -9.792 517 1HE LYS 61 1HE LYS 61 9.437 -1.005 -9.443 518 2HE LYS 61 2HE LYS 61 9.274 -0.531 -11.122 519 1HZ LYS 61 1HZ LYS 61 8.102 1.496 -10.143 520 2HZ LYS 61 2HZ LYS 61 8.823 1.083 -8.737 521 3HZ LYS 61 3HZ LYS 61 9.731 1.424 -10.051 522 H TYR 62 H TYR 62 5.852 -2.341 -4.921 523 HA TYR 62 HA TYR 62 7.617 -0.915 -3.266 524 1HB TYR 62 1HB TYR 62 4.941 -2.396 -2.995 525 2HB TYR 62 2HB TYR 62 5.631 -1.570 -1.612 526 HD1 TYR 62 HD1 TYR 62 6.799 0.821 -3.153 527 HD2 TYR 62 HD2 TYR 62 2.970 -1.084 -3.265 528 HE1 TYR 62 HE1 TYR 62 5.731 2.996 -3.924 529 HE2 TYR 62 HE2 TYR 62 1.915 1.097 -4.036 530 HH TYR 62 HH TYR 62 3.225 3.339 -5.418 531 H ARG 63 H ARG 63 6.537 -4.357 -3.332 532 HA ARG 63 HA ARG 63 7.532 -5.104 -0.914 533 1HB ARG 63 1HB ARG 63 6.358 -6.377 -3.094 534 2HB ARG 63 2HB ARG 63 7.959 -7.089 -3.093 535 1HG ARG 63 1HG ARG 63 7.426 -7.255 -0.428 536 2HG ARG 63 2HG ARG 63 5.782 -7.298 -1.035 537 1HD ARG 63 1HD ARG 63 6.145 -9.302 -2.264 538 2HD ARG 63 2HD ARG 63 7.884 -9.088 -2.293 539 HE ARG 63 HE ARG 63 7.233 -9.304 0.425 540 1HH1 ARG 63 1HH1 ARG 63 6.842 -11.309 -2.440 541 2HH1 ARG 63 2HH1 ARG 63 6.904 -12.800 -1.561 542 1HH2 ARG 63 1HH2 ARG 63 7.315 -11.271 1.585 543 2HH2 ARG 63 2HH2 ARG 63 7.175 -12.779 0.743 544 H GLU 64 H GLU 64 9.175 -4.774 -4.105 545 HA GLU 64 HA GLU 64 11.580 -5.927 -3.238 546 1HB GLU 64 1HB GLU 64 10.509 -5.185 -5.672 547 2HB GLU 64 2HB GLU 64 11.719 -3.938 -5.444 548 1HG GLU 64 1HG GLU 64 13.397 -5.808 -4.907 549 2HG GLU 64 2HG GLU 64 12.173 -6.955 -5.415 550 H MET 65 H MET 65 10.202 -2.635 -3.195 551 HA MET 65 HA MET 65 12.615 -1.321 -2.684 552 1HB MET 65 1HB MET 65 9.695 -0.747 -2.685 553 2HB MET 65 2HB MET 65 10.567 0.212 -1.506 554 1HG MET 65 1HG MET 65 10.844 1.590 -3.355 555 2HG MET 65 2HG MET 65 12.262 0.582 -3.563 556 1HE MET 65 1HE MET 65 8.760 1.344 -5.964 557 2HE MET 65 2HE MET 65 8.165 -0.063 -5.050 558 3HE MET 65 3HE MET 65 8.813 1.352 -4.185 559 H LEU 66 H LEU 66 10.142 -2.874 -0.602 560 HA LEU 66 HA LEU 66 11.409 -1.894 1.795 561 1HB LEU 66 1HB LEU 66 9.208 -3.939 1.537 562 2HB LEU 66 2HB LEU 66 9.646 -3.005 2.954 563 HG LEU 66 HG LEU 66 8.847 -1.456 0.541 564 1HD1 LEU 66 1HD1 LEU 66 7.279 -3.481 0.738 565 2HD1 LEU 66 2HD1 LEU 66 6.688 -2.709 2.229 566 3HD1 LEU 66 3HD1 LEU 66 6.549 -1.859 0.672 567 1HD2 LEU 66 1HD2 LEU 66 8.564 -1.213 3.526 568 2HD2 LEU 66 2HD2 LEU 66 9.342 -0.108 2.367 569 3HD2 LEU 66 3HD2 LEU 66 7.567 -0.230 2.426 570 H GLY 67 H GLY 67 10.659 -5.205 0.482 571 1HA GLY 67 1HA GLY 67 13.279 -6.071 1.537 572 2HA GLY 67 2HA GLY 67 11.816 -6.978 1.866 Start of MODEL 6 1 1H THR 1 1H THR 1 -7.675 21.721 -22.838 2 HA THR 1 HA THR 1 -7.833 23.011 -25.103 3 HB THR 1 HB THR 1 -8.610 20.777 -25.118 4 HG1 THR 1 HG1 THR 1 -10.266 21.406 -26.442 5 1HG2 THR 1 1HG2 THR 1 -9.525 19.985 -23.167 6 2HG2 THR 1 2HG2 THR 1 -10.023 21.616 -22.659 7 3HG2 THR 1 3HG2 THR 1 -11.061 20.668 -23.751 8 H TYR 2 H TYR 2 -10.153 23.570 -22.425 9 HA TYR 2 HA TYR 2 -10.607 26.211 -23.228 10 1HB TYR 2 1HB TYR 2 -12.734 25.991 -24.328 11 2HB TYR 2 2HB TYR 2 -11.848 24.627 -24.981 12 HD1 TYR 2 HD1 TYR 2 -12.335 22.324 -24.210 13 HD2 TYR 2 HD2 TYR 2 -14.607 25.672 -22.822 14 HE1 TYR 2 HE1 TYR 2 -14.150 20.753 -23.372 15 HE2 TYR 2 HE2 TYR 2 -16.415 24.090 -21.988 16 HH TYR 2 HH TYR 2 -16.206 20.621 -22.622 17 H SER 3 H SER 3 -11.968 23.258 -21.660 18 HA SER 3 HA SER 3 -13.154 24.938 -19.640 19 1HB SER 3 1HB SER 3 -13.922 22.622 -18.751 20 2HB SER 3 2HB SER 3 -14.612 23.190 -20.258 21 HG SER 3 HG SER 3 -12.225 21.614 -20.359 22 H LEU 4 H LEU 4 -10.596 25.481 -19.348 23 HA LEU 4 HA LEU 4 -9.139 23.534 -17.869 24 1HB LEU 4 1HB LEU 4 -8.544 25.806 -19.298 25 2HB LEU 4 2HB LEU 4 -8.310 26.336 -17.645 26 HG LEU 4 HG LEU 4 -6.783 24.375 -17.291 27 1HD1 LEU 4 1HD1 LEU 4 -7.633 23.809 -20.056 28 2HD1 LEU 4 2HD1 LEU 4 -5.882 23.674 -19.763 29 3HD1 LEU 4 3HD1 LEU 4 -7.024 22.719 -18.787 30 1HD2 LEU 4 1HD2 LEU 4 -6.125 26.492 -19.342 31 2HD2 LEU 4 2HD2 LEU 4 -5.751 26.470 -17.601 32 3HD2 LEU 4 3HD2 LEU 4 -4.910 25.356 -18.706 33 H ARG 5 H ARG 5 -8.067 25.251 -15.786 34 HA ARG 5 HA ARG 5 -8.415 25.812 -13.729 35 1HB ARG 5 1HB ARG 5 -10.403 27.187 -15.033 36 2HB ARG 5 2HB ARG 5 -11.378 26.233 -13.933 37 1HG ARG 5 1HG ARG 5 -10.671 27.398 -12.089 38 2HG ARG 5 2HG ARG 5 -9.005 27.443 -12.632 39 1HD ARG 5 1HD ARG 5 -9.296 29.618 -13.212 40 2HD ARG 5 2HD ARG 5 -10.419 29.105 -14.456 41 HE ARG 5 HE ARG 5 -11.106 30.239 -11.837 42 1HH1 ARG 5 1HH1 ARG 5 -12.268 28.349 -14.569 43 2HH1 ARG 5 2HH1 ARG 5 -13.938 28.688 -14.257 44 1HH2 ARG 5 1HH2 ARG 5 -13.309 30.687 -11.426 45 2HH2 ARG 5 2HH2 ARG 5 -14.534 30.027 -12.458 46 H THR 6 H THR 6 -8.097 23.860 -12.622 47 HA THR 6 HA THR 6 -8.580 22.013 -11.484 48 HB THR 6 HB THR 6 -11.383 23.253 -11.471 49 HG1 THR 6 HG1 THR 6 -10.481 24.103 -9.454 50 1HG2 THR 6 1HG2 THR 6 -10.879 21.946 -9.038 51 2HG2 THR 6 2HG2 THR 6 -11.962 21.352 -10.320 52 3HG2 THR 6 3HG2 THR 6 -10.273 20.795 -10.253 53 H PHE 7 H PHE 7 -7.983 20.751 -13.349 54 HA PHE 7 HA PHE 7 -10.320 19.612 -14.708 55 1HB PHE 7 1HB PHE 7 -8.596 19.013 -16.448 56 2HB PHE 7 2HB PHE 7 -8.590 20.738 -16.135 57 HD1 PHE 7 HD1 PHE 7 -6.702 17.649 -15.898 58 HD2 PHE 7 HD2 PHE 7 -6.758 21.753 -14.821 59 HE1 PHE 7 HE1 PHE 7 -4.246 17.549 -15.390 60 HE2 PHE 7 HE2 PHE 7 -4.302 21.653 -14.313 61 HZ PHE 7 HZ PHE 7 -3.076 19.552 -14.604 62 H PHE 8 H PHE 8 -9.622 18.789 -12.026 63 HA PHE 8 HA PHE 8 -8.827 16.038 -12.631 64 1HB PHE 8 1HB PHE 8 -7.566 18.100 -10.934 65 2HB PHE 8 2HB PHE 8 -8.053 16.733 -9.951 66 HD1 PHE 8 HD1 PHE 8 -6.952 14.602 -10.155 67 HD2 PHE 8 HD2 PHE 8 -5.892 17.817 -12.714 68 HE1 PHE 8 HE1 PHE 8 -4.889 13.359 -10.862 69 HE2 PHE 8 HE2 PHE 8 -3.829 16.574 -13.421 70 HZ PHE 8 HZ PHE 8 -3.352 14.360 -12.486 71 H VAL 9 H VAL 9 -9.514 14.492 -10.837 72 HA VAL 9 HA VAL 9 -11.706 15.494 -9.221 73 HB VAL 9 HB VAL 9 -12.682 14.892 -11.412 74 1HG1 VAL 9 1HG1 VAL 9 -10.886 12.849 -11.482 75 2HG1 VAL 9 2HG1 VAL 9 -12.351 11.984 -10.960 76 3HG1 VAL 9 3HG1 VAL 9 -12.362 12.920 -12.474 77 1HG2 VAL 9 1HG2 VAL 9 -13.627 14.338 -8.906 78 2HG2 VAL 9 2HG2 VAL 9 -14.568 14.170 -10.408 79 3HG2 VAL 9 3HG2 VAL 9 -13.768 12.749 -9.696 80 H ARG 10 H ARG 10 -9.339 14.922 -8.134 81 HA ARG 10 HA ARG 10 -8.142 13.553 -6.923 82 1HB ARG 10 1HB ARG 10 -10.982 12.845 -6.055 83 2HB ARG 10 2HB ARG 10 -9.579 12.237 -5.200 84 1HG ARG 10 1HG ARG 10 -9.272 14.217 -4.131 85 2HG ARG 10 2HG ARG 10 -9.293 15.107 -5.641 86 1HD ARG 10 1HD ARG 10 -11.959 14.545 -5.430 87 2HD ARG 10 2HD ARG 10 -11.540 14.556 -3.729 88 HE ARG 10 HE ARG 10 -10.379 16.851 -5.033 89 1HH1 ARG 10 1HH1 ARG 10 -13.461 15.597 -3.889 90 2HH1 ARG 10 2HH1 ARG 10 -14.153 17.165 -3.642 91 1HH2 ARG 10 1HH2 ARG 10 -11.291 18.921 -4.706 92 2HH2 ARG 10 2HH2 ARG 10 -12.910 19.069 -4.109 93 H GLU 11 H GLU 11 -7.554 12.339 -9.025 94 HA GLU 11 HA GLU 11 -8.877 9.902 -9.525 95 1HB GLU 11 1HB GLU 11 -6.658 11.461 -10.667 96 2HB GLU 11 2HB GLU 11 -6.342 9.738 -10.720 97 1HG GLU 11 1HG GLU 11 -8.088 9.312 -12.187 98 2HG GLU 11 2HG GLU 11 -9.104 10.575 -11.521 99 H SER 12 H SER 12 -8.216 7.748 -9.047 100 HA SER 12 HA SER 12 -7.219 6.130 -7.988 101 1HB SER 12 1HB SER 12 -5.071 7.690 -8.644 102 2HB SER 12 2HB SER 12 -4.926 7.708 -6.897 103 HG SER 12 HG SER 12 -5.360 5.188 -7.332 104 H ALA 13 H ALA 13 -5.537 6.406 -5.489 105 HA ALA 13 HA ALA 13 -7.623 6.451 -3.630 106 1HB ALA 13 1HB ALA 13 -5.988 5.808 -2.139 107 2HB ALA 13 2HB ALA 13 -5.136 5.453 -3.661 108 3HB ALA 13 3HB ALA 13 -4.794 6.962 -2.781 109 H GLU 14 H GLU 14 -5.886 8.095 -1.645 110 HA GLU 14 HA GLU 14 -7.326 10.506 -2.113 111 1HB GLU 14 1HB GLU 14 -5.920 9.210 0.122 112 2HB GLU 14 2HB GLU 14 -5.597 10.932 0.061 113 1HG GLU 14 1HG GLU 14 -7.673 11.411 0.838 114 2HG GLU 14 2HG GLU 14 -8.420 10.493 -0.455 115 H GLY 15 H GLY 15 -5.749 10.317 -4.294 116 1HA GLY 15 1HA GLY 15 -4.043 11.222 -5.466 117 2HA GLY 15 2HA GLY 15 -4.388 12.650 -4.510 118 H LEU 16 H LEU 16 -3.324 9.688 -2.879 119 HA LEU 16 HA LEU 16 -1.240 10.929 -1.566 120 1HB LEU 16 1HB LEU 16 -0.497 8.595 -1.071 121 2HB LEU 16 2HB LEU 16 -2.154 8.981 -0.652 122 HG LEU 16 HG LEU 16 -2.993 7.768 -2.574 123 1HD1 LEU 16 1HD1 LEU 16 -1.185 6.351 -3.848 124 2HD1 LEU 16 2HD1 LEU 16 -1.548 8.022 -4.340 125 3HD1 LEU 16 3HD1 LEU 16 -0.104 7.677 -3.358 126 1HD2 LEU 16 1HD2 LEU 16 -1.035 6.316 -0.803 127 2HD2 LEU 16 2HD2 LEU 16 -2.811 6.373 -0.711 128 3HD2 LEU 16 3HD2 LEU 16 -2.016 5.456 -2.013 129 H THR 17 H THR 17 1.094 10.728 -1.784 130 HA THR 17 HA THR 17 1.864 10.816 -4.586 131 HB THR 17 HB THR 17 4.078 11.563 -3.357 132 HG1 THR 17 HG1 THR 17 3.589 10.920 -1.232 133 1HG2 THR 17 1HG2 THR 17 1.816 13.015 -4.153 134 2HG2 THR 17 2HG2 THR 17 2.005 13.471 -2.443 135 3HG2 THR 17 3HG2 THR 17 3.345 13.729 -3.586 136 H GLN 18 H GLN 18 3.770 9.686 -5.396 137 HA GLN 18 HA GLN 18 3.571 6.997 -4.986 138 1HB GLN 18 1HB GLN 18 5.063 8.750 -6.632 139 2HB GLN 18 2HB GLN 18 6.267 7.758 -5.833 140 1HG GLN 18 1HG GLN 18 4.367 5.857 -6.501 141 2HG GLN 18 2HG GLN 18 4.200 6.985 -7.833 142 1HE2 GLN 18 1HE2 GLN 18 5.388 6.544 -9.510 143 2HE2 GLN 18 2HE2 GLN 18 6.952 5.799 -9.533 144 H GLY 19 H GLY 19 5.563 9.441 -3.311 145 1HA GLY 19 1HA GLY 19 7.264 7.572 -1.981 146 2HA GLY 19 2HA GLY 19 7.057 9.274 -1.623 147 H GLU 20 H GLU 20 4.072 9.067 -1.347 148 HA GLU 20 HA GLU 20 4.052 8.489 1.386 149 1HB GLU 20 1HB GLU 20 1.977 9.219 -0.679 150 2HB GLU 20 2HB GLU 20 1.433 8.655 0.888 151 1HG GLU 20 1HG GLU 20 3.566 10.800 0.760 152 2HG GLU 20 2HG GLU 20 1.897 11.245 0.467 153 H LEU 21 H LEU 21 2.999 6.702 -1.551 154 HA LEU 21 HA LEU 21 1.599 4.673 -0.280 155 1HB LEU 21 1HB LEU 21 2.009 5.364 -2.811 156 2HB LEU 21 2HB LEU 21 3.219 4.101 -2.715 157 HG LEU 21 HG LEU 21 1.327 3.026 -3.553 158 1HD1 LEU 21 1HD1 LEU 21 2.429 2.035 -1.404 159 2HD1 LEU 21 2HD1 LEU 21 0.861 2.414 -0.652 160 3HD1 LEU 21 3HD1 LEU 21 0.935 1.318 -2.053 161 1HD2 LEU 21 1HD2 LEU 21 -0.935 3.219 -2.371 162 2HD2 LEU 21 2HD2 LEU 21 -0.254 4.651 -1.563 163 3HD2 LEU 21 3HD2 LEU 21 -0.387 4.610 -3.338 164 H MET 22 H MET 22 5.111 5.118 -0.905 165 HA MET 22 HA MET 22 5.942 2.602 -0.247 166 1HB MET 22 1HB MET 22 7.398 4.401 -1.182 167 2HB MET 22 2HB MET 22 7.241 5.330 0.296 168 1HG MET 22 1HG MET 22 9.406 4.018 0.133 169 2HG MET 22 2HG MET 22 8.477 3.674 1.578 170 1HE MET 22 1HE MET 22 8.610 0.988 -2.171 171 2HE MET 22 2HE MET 22 7.765 2.554 -2.139 172 3HE MET 22 3HE MET 22 9.535 2.493 -1.958 173 H LYS 23 H LYS 23 6.004 5.489 1.978 174 HA LYS 23 HA LYS 23 6.520 3.972 4.261 175 1HB LYS 23 1HB LYS 23 5.904 6.752 3.582 176 2HB LYS 23 2HB LYS 23 5.239 6.279 5.132 177 1HG LYS 23 1HG LYS 23 7.320 5.955 6.092 178 2HG LYS 23 2HG LYS 23 8.036 5.357 4.608 179 1HD LYS 23 1HD LYS 23 7.482 7.996 3.938 180 2HD LYS 23 2HD LYS 23 7.873 8.140 5.640 181 1HE LYS 23 1HE LYS 23 9.957 6.644 5.075 182 2HE LYS 23 2HE LYS 23 9.617 7.044 3.403 183 1HZ LYS 23 1HZ LYS 23 11.160 8.562 4.583 184 2HZ LYS 23 2HZ LYS 23 9.899 9.311 3.864 185 3HZ LYS 23 3HZ LYS 23 9.904 9.092 5.483 186 H LEU 24 H LEU 24 3.558 4.654 2.460 187 HA LEU 24 HA LEU 24 1.759 4.087 4.550 188 1HB LEU 24 1HB LEU 24 1.649 4.377 1.594 189 2HB LEU 24 2HB LEU 24 0.327 3.522 2.365 190 HG LEU 24 HG LEU 24 1.219 6.284 3.221 191 1HD1 LEU 24 1HD1 LEU 24 -1.278 6.253 1.765 192 2HD1 LEU 24 2HD1 LEU 24 0.182 7.238 1.506 193 3HD1 LEU 24 3HD1 LEU 24 0.051 5.627 0.759 194 1HD2 LEU 24 1HD2 LEU 24 -1.570 5.505 3.629 195 2HD2 LEU 24 2HD2 LEU 24 -0.415 4.460 4.491 196 3HD2 LEU 24 3HD2 LEU 24 -0.395 6.220 4.759 197 H ILE 25 H ILE 25 3.329 2.086 1.992 198 HA ILE 25 HA ILE 25 1.934 -0.265 2.655 199 HB ILE 25 HB ILE 25 4.312 0.475 1.029 200 1HG1 ILE 25 1HG1 ILE 25 1.735 -1.033 0.506 201 2HG1 ILE 25 2HG1 ILE 25 2.105 0.615 0.039 202 1HG2 ILE 25 1HG2 ILE 25 4.859 -1.846 0.553 203 2HG2 ILE 25 2HG2 ILE 25 5.093 -1.491 2.281 204 3HG2 ILE 25 3HG2 ILE 25 3.658 -2.397 1.745 205 1HD1 ILE 25 1HD1 ILE 25 3.058 -1.960 -1.154 206 2HD1 ILE 25 2HD1 ILE 25 2.673 -0.413 -1.946 207 3HD1 ILE 25 3HD1 ILE 25 4.232 -0.623 -1.112 208 H LYS 26 H LYS 26 5.065 1.165 3.724 209 HA LYS 26 HA LYS 26 5.833 -1.052 5.268 210 1HB LYS 26 1HB LYS 26 7.128 1.091 4.386 211 2HB LYS 26 2HB LYS 26 6.697 1.731 5.959 212 1HG LYS 26 1HG LYS 26 7.750 -0.204 7.082 213 2HG LYS 26 2HG LYS 26 8.086 -0.957 5.535 214 1HD LYS 26 1HD LYS 26 10.084 0.118 5.542 215 2HD LYS 26 2HD LYS 26 9.208 1.611 5.274 216 1HE LYS 26 1HE LYS 26 9.551 0.501 8.084 217 2HE LYS 26 2HE LYS 26 10.818 1.456 7.340 218 1HZ LYS 26 1HZ LYS 26 9.135 2.699 8.661 219 2HZ LYS 26 2HZ LYS 26 9.379 3.271 7.151 220 3HZ LYS 26 3HZ LYS 26 8.044 2.393 7.485 221 H GLU 27 H GLU 27 3.889 1.898 5.945 222 HA GLU 27 HA GLU 27 3.762 1.668 8.656 223 1HB GLU 27 1HB GLU 27 2.280 3.385 8.471 224 2HB GLU 27 2HB GLU 27 2.649 3.317 6.759 225 1HG GLU 27 1HG GLU 27 0.275 3.225 6.832 226 2HG GLU 27 2HG GLU 27 0.751 1.558 6.571 227 H ILE 28 H ILE 28 1.967 -0.105 6.112 228 HA ILE 28 HA ILE 28 0.095 -1.277 7.870 229 HB ILE 28 HB ILE 28 1.054 -1.965 5.096 230 1HG1 ILE 28 1HG1 ILE 28 -1.717 -1.066 5.610 231 2HG1 ILE 28 2HG1 ILE 28 -0.481 0.133 5.932 232 1HG2 ILE 28 1HG2 ILE 28 0.197 -3.954 6.458 233 2HG2 ILE 28 2HG2 ILE 28 -1.390 -3.150 6.410 234 3HG2 ILE 28 3HG2 ILE 28 -0.589 -3.627 4.894 235 1HD1 ILE 28 1HD1 ILE 28 -0.328 0.526 3.710 236 2HD1 ILE 28 2HD1 ILE 28 0.266 -1.137 3.483 237 3HD1 ILE 28 3HD1 ILE 28 -1.477 -0.792 3.377 238 H VAL 29 H VAL 29 3.438 -2.004 6.912 239 HA VAL 29 HA VAL 29 3.287 -4.606 8.195 240 HB VAL 29 HB VAL 29 5.826 -3.450 7.162 241 1HG1 VAL 29 1HG1 VAL 29 6.442 -5.614 6.935 242 2HG1 VAL 29 2HG1 VAL 29 5.094 -5.913 8.059 243 3HG1 VAL 29 3HG1 VAL 29 4.852 -6.112 6.307 244 1HG2 VAL 29 1HG2 VAL 29 4.862 -4.459 4.850 245 2HG2 VAL 29 2HG2 VAL 29 3.364 -3.784 5.532 246 3HG2 VAL 29 3HG2 VAL 29 4.778 -2.734 5.278 247 H GLU 30 H GLU 30 3.026 -1.813 9.548 248 HA GLU 30 HA GLU 30 5.372 -1.524 11.059 249 1HB GLU 30 1HB GLU 30 3.640 0.271 10.613 250 2HB GLU 30 2HB GLU 30 2.561 -0.547 11.725 251 1HG GLU 30 1HG GLU 30 4.794 -0.389 13.298 252 2HG GLU 30 2HG GLU 30 5.044 1.028 12.298 253 H ASN 31 H ASN 31 2.464 -3.519 11.328 254 HA ASN 31 HA ASN 31 3.663 -4.774 13.624 255 1HB ASN 31 1HB ASN 31 1.012 -3.327 13.621 256 2HB ASN 31 2HB ASN 31 1.089 -4.842 14.499 257 1HD2 ASN 31 1HD2 ASN 31 2.504 -1.641 14.144 258 2HD2 ASN 31 2HD2 ASN 31 3.160 -1.491 15.740 259 H GLU 32 H GLU 32 3.785 -5.953 11.226 260 HA GLU 32 HA GLU 32 1.483 -7.168 10.283 261 1HB GLU 32 1HB GLU 32 2.949 -8.469 8.892 262 2HB GLU 32 2HB GLU 32 3.702 -6.898 9.074 263 1HG GLU 32 1HG GLU 32 5.530 -7.796 10.084 264 2HG GLU 32 2HG GLU 32 4.544 -8.663 11.245 265 H ASP 33 H ASP 33 2.477 -9.975 10.110 266 HA ASP 33 HA ASP 33 2.595 -10.861 12.817 267 1HB ASP 33 1HB ASP 33 0.072 -10.459 11.994 268 2HB ASP 33 2HB ASP 33 0.316 -11.997 11.191 269 H LYS 34 H LYS 34 3.175 -13.192 12.884 270 HA LYS 34 HA LYS 34 4.519 -14.023 10.497 271 1HB LYS 34 1HB LYS 34 5.463 -15.738 11.852 272 2HB LYS 34 2HB LYS 34 5.442 -14.271 12.810 273 1HG LYS 34 1HG LYS 34 3.047 -16.089 13.006 274 2HG LYS 34 2HG LYS 34 4.530 -16.624 13.771 275 1HD LYS 34 1HD LYS 34 4.500 -14.061 14.680 276 2HD LYS 34 2HD LYS 34 2.777 -14.282 14.452 277 1HE LYS 34 1HE LYS 34 2.873 -16.370 15.849 278 2HE LYS 34 2HE LYS 34 4.588 -16.115 16.097 279 1HZ LYS 34 1HZ LYS 34 3.501 -15.182 17.917 280 2HZ LYS 34 2HZ LYS 34 3.941 -13.898 17.009 281 3HZ LYS 34 3HZ LYS 34 2.389 -14.406 17.006 282 H ARG 35 H ARG 35 1.469 -14.711 12.181 283 HA ARG 35 HA ARG 35 1.033 -17.002 10.508 284 1HB ARG 35 1HB ARG 35 -0.270 -15.784 12.919 285 2HB ARG 35 2HB ARG 35 -1.348 -16.635 11.831 286 1HG ARG 35 1HG ARG 35 1.098 -18.185 12.244 287 2HG ARG 35 2HG ARG 35 0.375 -17.774 13.787 288 1HD ARG 35 1HD ARG 35 -1.753 -18.565 11.997 289 2HD ARG 35 2HD ARG 35 -0.486 -19.772 11.892 290 HE ARG 35 HE ARG 35 -0.895 -20.390 14.125 291 1HH1 ARG 35 1HH1 ARG 35 -2.540 -17.363 13.407 292 2HH1 ARG 35 2HH1 ARG 35 -3.445 -17.356 14.884 293 1HH2 ARG 35 1HH2 ARG 35 -2.088 -20.381 16.074 294 2HH2 ARG 35 2HH2 ARG 35 -3.186 -19.084 16.412 295 H LYS 36 H LYS 36 0.757 -13.652 10.225 296 HA LYS 36 HA LYS 36 -0.799 -13.842 7.874 297 1HB LYS 36 1HB LYS 36 -2.612 -14.021 9.575 298 2HB LYS 36 2HB LYS 36 -2.144 -12.459 10.214 299 1HG LYS 36 1HG LYS 36 -3.665 -11.641 8.709 300 2HG LYS 36 2HG LYS 36 -2.362 -11.830 7.552 301 1HD LYS 36 1HD LYS 36 -4.072 -13.000 6.470 302 2HD LYS 36 2HD LYS 36 -3.276 -14.308 7.322 303 1HE LYS 36 1HE LYS 36 -5.067 -14.666 8.706 304 2HE LYS 36 2HE LYS 36 -5.331 -12.954 8.969 305 1HZ LYS 36 1HZ LYS 36 -6.556 -12.799 7.023 306 2HZ LYS 36 2HZ LYS 36 -6.016 -14.218 6.420 307 3HZ LYS 36 3HZ LYS 36 -7.061 -14.209 7.674 308 HA PRO 37 HA PRO 37 2.102 -10.390 8.336 309 1HB PRO 37 1HB PRO 37 3.824 -11.070 6.326 310 2HB PRO 37 2HB PRO 37 4.095 -11.496 8.004 311 1HG PRO 37 1HG PRO 37 3.203 -13.220 5.775 312 2HG PRO 37 2HG PRO 37 3.878 -13.688 7.323 313 1HD PRO 37 1HD PRO 37 1.118 -13.804 6.549 314 2HD PRO 37 2HD PRO 37 1.779 -14.162 8.132 315 H TYR 38 H TYR 38 2.498 -8.508 7.006 316 HA TYR 38 HA TYR 38 0.302 -8.259 5.144 317 1HB TYR 38 1HB TYR 38 2.529 -6.487 6.311 318 2HB TYR 38 2HB TYR 38 1.407 -5.862 5.118 319 HD1 TYR 38 HD1 TYR 38 2.046 -6.072 8.539 320 HD2 TYR 38 HD2 TYR 38 -1.186 -6.343 5.749 321 HE1 TYR 38 HE1 TYR 38 0.396 -5.495 10.385 322 HE2 TYR 38 HE2 TYR 38 -2.826 -5.765 7.604 323 HH TYR 38 HH TYR 38 -2.753 -4.556 9.756 324 H SER 39 H SER 39 1.527 -10.057 3.793 325 HA SER 39 HA SER 39 3.812 -9.200 2.405 326 1HB SER 39 1HB SER 39 1.864 -11.324 1.442 327 2HB SER 39 2HB SER 39 3.590 -11.238 1.156 328 HG SER 39 HG SER 39 3.988 -11.721 3.364 329 H ASP 40 H ASP 40 3.763 -9.168 -0.153 330 HA ASP 40 HA ASP 40 2.605 -6.961 -1.020 331 1HB ASP 40 1HB ASP 40 3.096 -7.678 -3.214 332 2HB ASP 40 2HB ASP 40 4.166 -8.661 -2.235 333 H GLN 41 H GLN 41 1.121 -10.208 -0.697 334 HA GLN 41 HA GLN 41 -1.159 -9.688 -2.204 335 1HB GLN 41 1HB GLN 41 -1.206 -11.924 -1.854 336 2HB GLN 41 2HB GLN 41 -0.132 -11.801 -0.475 337 1HG GLN 41 1HG GLN 41 -2.228 -12.717 0.326 338 2HG GLN 41 2HG GLN 41 -2.110 -11.079 0.939 339 1HE2 GLN 41 1HE2 GLN 41 -4.469 -11.552 1.147 340 2HE2 GLN 41 2HE2 GLN 41 -5.511 -11.115 -0.166 341 H GLU 42 H GLU 42 -0.446 -9.408 1.334 342 HA GLU 42 HA GLU 42 -3.017 -8.677 2.059 343 1HB GLU 42 1HB GLU 42 -0.771 -9.305 3.426 344 2HB GLU 42 2HB GLU 42 -0.677 -7.562 3.577 345 1HG GLU 42 1HG GLU 42 -2.655 -7.414 4.829 346 2HG GLU 42 2HG GLU 42 -3.337 -8.870 4.131 347 H ILE 43 H ILE 43 -0.101 -6.496 1.955 348 HA ILE 43 HA ILE 43 -1.351 -4.123 2.155 349 HB ILE 43 HB ILE 43 1.168 -5.113 1.107 350 1HG1 ILE 43 1HG1 ILE 43 1.394 -2.489 2.135 351 2HG1 ILE 43 2HG1 ILE 43 0.139 -3.267 3.078 352 1HG2 ILE 43 1HG2 ILE 43 0.228 -2.454 0.003 353 2HG2 ILE 43 2HG2 ILE 43 1.800 -3.248 -0.258 354 3HG2 ILE 43 3HG2 ILE 43 0.318 -3.962 -0.939 355 1HD1 ILE 43 1HD1 ILE 43 3.047 -3.856 2.950 356 2HD1 ILE 43 2HD1 ILE 43 1.886 -4.136 4.270 357 3HD1 ILE 43 3HD1 ILE 43 2.002 -5.297 2.926 358 H ALA 44 H ALA 44 -0.940 -6.083 -0.853 359 HA ALA 44 HA ALA 44 -2.059 -4.247 -2.603 360 1HB ALA 44 1HB ALA 44 -0.844 -6.177 -3.390 361 2HB ALA 44 2HB ALA 44 -1.981 -7.288 -2.590 362 3HB ALA 44 3HB ALA 44 -2.516 -6.318 -3.983 363 H ASN 45 H ASN 45 -3.568 -6.781 -0.519 364 HA ASN 45 HA ASN 45 -6.122 -6.470 -1.532 365 1HB ASN 45 1HB ASN 45 -4.884 -7.590 0.971 366 2HB ASN 45 2HB ASN 45 -6.596 -7.230 1.062 367 1HD2 ASN 45 1HD2 ASN 45 -4.247 -8.663 -1.203 368 2HD2 ASN 45 2HD2 ASN 45 -5.210 -10.017 -1.692 369 H ILE 46 H ILE 46 -4.257 -4.838 1.086 370 HA ILE 46 HA ILE 46 -6.316 -3.468 2.314 371 HB ILE 46 HB ILE 46 -3.376 -3.029 1.988 372 1HG1 ILE 46 1HG1 ILE 46 -5.195 -3.628 4.338 373 2HG1 ILE 46 2HG1 ILE 46 -4.108 -4.746 3.538 374 1HG2 ILE 46 1HG2 ILE 46 -4.082 -1.193 3.907 375 2HG2 ILE 46 2HG2 ILE 46 -3.623 -0.821 2.228 376 3HG2 ILE 46 3HG2 ILE 46 -5.341 -0.964 2.670 377 1HD1 ILE 46 1HD1 ILE 46 -2.690 -4.116 5.239 378 2HD1 ILE 46 2HD1 ILE 46 -2.329 -2.769 4.132 379 3HD1 ILE 46 3HD1 ILE 46 -3.491 -2.542 5.461 380 H LEU 47 H LEU 47 -4.554 -2.827 -0.731 381 HA LEU 47 HA LEU 47 -5.362 -0.206 -1.112 382 1HB LEU 47 1HB LEU 47 -4.422 -0.405 -3.145 383 2HB LEU 47 2HB LEU 47 -3.720 -1.820 -2.387 384 HG LEU 47 HG LEU 47 -5.884 -2.998 -3.420 385 1HD1 LEU 47 1HD1 LEU 47 -5.463 -1.311 -5.774 386 2HD1 LEU 47 2HD1 LEU 47 -6.967 -1.944 -5.063 387 3HD1 LEU 47 3HD1 LEU 47 -6.236 -0.454 -4.418 388 1HD2 LEU 47 1HD2 LEU 47 -3.981 -2.686 -5.577 389 2HD2 LEU 47 2HD2 LEU 47 -3.150 -2.877 -4.014 390 3HD2 LEU 47 3HD2 LEU 47 -4.325 -4.101 -4.553 391 H LYS 48 H LYS 48 -7.119 -3.270 -1.393 392 HA LYS 48 HA LYS 48 -9.183 -2.450 -3.047 393 1HB LYS 48 1HB LYS 48 -8.520 -4.775 -1.974 394 2HB LYS 48 2HB LYS 48 -9.686 -4.312 -0.750 395 1HG LYS 48 1HG LYS 48 -11.362 -3.861 -2.618 396 2HG LYS 48 2HG LYS 48 -10.199 -4.517 -3.753 397 1HD LYS 48 1HD LYS 48 -11.307 -6.486 -3.315 398 2HD LYS 48 2HD LYS 48 -10.202 -6.554 -1.957 399 1HE LYS 48 1HE LYS 48 -12.404 -6.952 -1.057 400 2HE LYS 48 2HE LYS 48 -11.957 -5.331 -0.562 401 1HZ LYS 48 1HZ LYS 48 -14.068 -6.147 -2.239 402 2HZ LYS 48 2HZ LYS 48 -13.816 -4.696 -1.532 403 3HZ LYS 48 3HZ LYS 48 -13.148 -5.023 -2.986 404 H GLU 49 H GLU 49 -8.390 -1.596 0.275 405 HA GLU 49 HA GLU 49 -10.946 -0.848 1.073 406 1HB GLU 49 1HB GLU 49 -8.418 -0.970 2.233 407 2HB GLU 49 2HB GLU 49 -8.728 0.755 2.199 408 1HG GLU 49 1HG GLU 49 -11.160 -0.545 3.038 409 2HG GLU 49 2HG GLU 49 -9.847 -1.233 3.972 410 H LYS 50 H LYS 50 -9.385 0.248 -1.577 411 HA LYS 50 HA LYS 50 -9.432 2.075 -2.818 412 1HB LYS 50 1HB LYS 50 -11.831 1.689 -2.718 413 2HB LYS 50 2HB LYS 50 -11.958 2.598 -1.226 414 1HG LYS 50 1HG LYS 50 -10.627 4.376 -2.942 415 2HG LYS 50 2HG LYS 50 -11.768 3.578 -4.005 416 1HD LYS 50 1HD LYS 50 -13.498 4.750 -3.124 417 2HD LYS 50 2HD LYS 50 -13.107 4.199 -1.507 418 1HE LYS 50 1HE LYS 50 -11.183 6.013 -1.620 419 2HE LYS 50 2HE LYS 50 -12.120 6.685 -2.940 420 1HZ LYS 50 1HZ LYS 50 -14.000 6.839 -1.478 421 2HZ LYS 50 2HZ LYS 50 -13.176 6.146 -0.250 422 3HZ LYS 50 3HZ LYS 50 -12.729 7.615 -0.807 423 H GLY 51 H GLY 51 -7.514 2.247 -0.921 424 1HA GLY 51 1HA GLY 51 -7.592 5.106 -0.237 425 2HA GLY 51 2HA GLY 51 -7.234 3.935 1.017 426 H PHE 52 H PHE 52 -6.266 3.255 -2.325 427 HA PHE 52 HA PHE 52 -3.685 4.418 -2.092 428 1HB PHE 52 1HB PHE 52 -4.136 1.388 -1.803 429 2HB PHE 52 2HB PHE 52 -2.564 2.091 -2.125 430 HD1 PHE 52 HD1 PHE 52 -4.658 0.898 0.387 431 HD2 PHE 52 HD2 PHE 52 -1.872 4.003 -0.388 432 HE1 PHE 52 HE1 PHE 52 -4.273 1.167 2.853 433 HE2 PHE 52 HE2 PHE 52 -1.487 4.273 2.078 434 HZ PHE 52 HZ PHE 52 -2.691 2.851 3.668 435 H LYS 53 H LYS 53 -5.361 1.531 -3.549 436 HA LYS 53 HA LYS 53 -5.785 1.013 -5.658 437 1HB LYS 53 1HB LYS 53 -5.506 3.924 -5.799 438 2HB LYS 53 2HB LYS 53 -5.068 3.136 -7.301 439 1HG LYS 53 1HG LYS 53 -7.436 1.833 -6.294 440 2HG LYS 53 2HG LYS 53 -7.706 3.562 -6.205 441 1HD LYS 53 1HD LYS 53 -7.561 3.856 -8.516 442 2HD LYS 53 2HD LYS 53 -6.457 2.512 -8.732 443 1HE LYS 53 1HE LYS 53 -8.823 1.319 -7.739 444 2HE LYS 53 2HE LYS 53 -9.392 2.541 -8.859 445 1HZ LYS 53 1HZ LYS 53 -7.167 0.941 -9.751 446 2HZ LYS 53 2HZ LYS 53 -8.599 0.167 -9.623 447 3HZ LYS 53 3HZ LYS 53 -8.463 1.481 -10.584 448 H VAL 54 H VAL 54 -3.889 -0.421 -5.036 449 HA VAL 54 HA VAL 54 -1.550 0.271 -6.674 450 HB VAL 54 HB VAL 54 -1.555 -1.828 -4.536 451 1HG1 VAL 54 1HG1 VAL 54 0.768 -1.469 -4.472 452 2HG1 VAL 54 2HG1 VAL 54 0.356 -1.376 -6.201 453 3HG1 VAL 54 3HG1 VAL 54 0.639 0.116 -5.272 454 1HG2 VAL 54 1HG2 VAL 54 -0.573 0.304 -3.175 455 2HG2 VAL 54 2HG2 VAL 54 -1.851 1.095 -4.129 456 3HG2 VAL 54 3HG2 VAL 54 -2.255 -0.265 -3.053 457 H ALA 55 H ALA 55 -0.881 -2.764 -6.113 458 HA ALA 55 HA ALA 55 -2.710 -4.416 -7.262 459 1HB ALA 55 1HB ALA 55 -2.863 -3.886 -9.438 460 2HB ALA 55 2HB ALA 55 -1.766 -2.508 -9.182 461 3HB ALA 55 3HB ALA 55 -1.105 -4.102 -9.616 462 H ARG 56 H ARG 56 -1.892 -6.508 -7.223 463 HA ARG 56 HA ARG 56 0.155 -7.181 -5.790 464 1HB ARG 56 1HB ARG 56 0.431 -9.247 -7.370 465 2HB ARG 56 2HB ARG 56 -1.148 -8.966 -6.665 466 1HG ARG 56 1HG ARG 56 -1.619 -7.561 -8.845 467 2HG ARG 56 2HG ARG 56 -0.229 -8.401 -9.503 468 1HD ARG 56 1HD ARG 56 -2.591 -9.858 -8.229 469 2HD ARG 56 2HD ARG 56 -2.503 -9.507 -9.944 470 HE ARG 56 HE ARG 56 -1.086 -11.606 -8.564 471 1HH1 ARG 56 1HH1 ARG 56 -0.710 -9.289 -11.185 472 2HH1 ARG 56 2HH1 ARG 56 0.442 -10.256 -12.045 473 1HH2 ARG 56 1HH2 ARG 56 0.434 -12.882 -9.697 474 2HH2 ARG 56 2HH2 ARG 56 1.097 -12.313 -11.192 475 H ARG 57 H ARG 57 0.385 -6.333 -9.299 476 HA ARG 57 HA ARG 57 3.048 -6.934 -9.602 477 1HB ARG 57 1HB ARG 57 0.988 -5.861 -11.184 478 2HB ARG 57 2HB ARG 57 2.163 -4.562 -11.137 479 1HG ARG 57 1HG ARG 57 3.418 -7.205 -11.560 480 2HG ARG 57 2HG ARG 57 2.260 -6.805 -12.813 481 1HD ARG 57 1HD ARG 57 3.410 -4.718 -13.328 482 2HD ARG 57 2HD ARG 57 4.431 -4.858 -11.910 483 HE ARG 57 HE ARG 57 5.807 -6.363 -13.068 484 1HH1 ARG 57 1HH1 ARG 57 2.751 -6.027 -14.780 485 2HH1 ARG 57 2HH1 ARG 57 3.280 -6.925 -16.162 486 1HH2 ARG 57 1HH2 ARG 57 6.506 -7.549 -14.892 487 2HH2 ARG 57 2HH2 ARG 57 5.431 -7.797 -16.227 488 H THR 58 H THR 58 1.464 -3.705 -9.004 489 HA THR 58 HA THR 58 3.870 -2.302 -8.670 490 HB THR 58 HB THR 58 0.933 -1.890 -8.050 491 HG1 THR 58 HG1 THR 58 2.171 -1.573 -10.162 492 1HG2 THR 58 1HG2 THR 58 3.074 0.211 -7.493 493 2HG2 THR 58 2HG2 THR 58 1.337 0.287 -7.112 494 3HG2 THR 58 3HG2 THR 58 2.404 -0.798 -6.189 495 H VAL 59 H VAL 59 1.781 -4.086 -6.359 496 HA VAL 59 HA VAL 59 3.100 -3.178 -4.059 497 HB VAL 59 HB VAL 59 1.772 -5.861 -4.388 498 1HG1 VAL 59 1HG1 VAL 59 1.921 -3.877 -2.093 499 2HG1 VAL 59 2HG1 VAL 59 1.004 -5.402 -2.076 500 3HG1 VAL 59 3HG1 VAL 59 2.779 -5.432 -2.214 501 1HG2 VAL 59 1HG2 VAL 59 -0.125 -3.892 -3.555 502 2HG2 VAL 59 2HG2 VAL 59 0.628 -3.334 -5.068 503 3HG2 VAL 59 3HG2 VAL 59 -0.157 -4.930 -5.001 504 H ALA 60 H ALA 60 3.670 -5.919 -6.319 505 HA ALA 60 HA ALA 60 5.568 -7.267 -4.831 506 1HB ALA 60 1HB ALA 60 4.424 -7.992 -6.966 507 2HB ALA 60 2HB ALA 60 5.526 -6.911 -7.852 508 3HB ALA 60 3HB ALA 60 6.179 -8.287 -6.932 509 H LYS 61 H LYS 61 5.873 -4.426 -7.034 510 HA LYS 61 HA LYS 61 8.675 -4.327 -6.943 511 1HB LYS 61 1HB LYS 61 6.453 -2.610 -7.880 512 2HB LYS 61 2HB LYS 61 7.925 -1.757 -7.460 513 1HG LYS 61 1HG LYS 61 8.979 -3.867 -8.870 514 2HG LYS 61 2HG LYS 61 7.427 -3.710 -9.668 515 1HD LYS 61 1HD LYS 61 7.873 -1.512 -10.415 516 2HD LYS 61 2HD LYS 61 9.065 -1.216 -9.165 517 1HE LYS 61 1HE LYS 61 10.611 -2.864 -10.263 518 2HE LYS 61 2HE LYS 61 9.423 -3.129 -11.523 519 1HZ LYS 61 1HZ LYS 61 11.319 -1.201 -11.500 520 2HZ LYS 61 2HZ LYS 61 10.039 -1.271 -12.512 521 3HZ LYS 61 3HZ LYS 61 9.953 -0.378 -11.147 522 H TYR 62 H TYR 62 6.081 -2.852 -4.924 523 HA TYR 62 HA TYR 62 7.770 -1.235 -3.392 524 1HB TYR 62 1HB TYR 62 5.051 -2.598 -3.194 525 2HB TYR 62 2HB TYR 62 5.679 -1.846 -1.741 526 HD1 TYR 62 HD1 TYR 62 6.662 0.658 -2.219 527 HD2 TYR 62 HD2 TYR 62 3.612 -1.318 -4.477 528 HE1 TYR 62 HE1 TYR 62 5.779 2.908 -3.010 529 HE2 TYR 62 HE2 TYR 62 2.739 0.938 -5.260 530 HH TYR 62 HH TYR 62 3.483 3.153 -5.544 531 H ARG 63 H ARG 63 6.747 -4.672 -3.068 532 HA ARG 63 HA ARG 63 7.514 -5.139 -0.533 533 1HB ARG 63 1HB ARG 63 6.436 -6.840 -1.957 534 2HB ARG 63 2HB ARG 63 7.848 -6.927 -2.992 535 1HG ARG 63 1HG ARG 63 8.052 -8.810 -1.542 536 2HG ARG 63 2HG ARG 63 9.181 -7.636 -0.897 537 1HD ARG 63 1HD ARG 63 6.740 -7.019 0.389 538 2HD ARG 63 2HD ARG 63 6.770 -8.771 0.347 539 HE ARG 63 HE ARG 63 9.335 -7.672 1.177 540 1HH1 ARG 63 1HH1 ARG 63 6.106 -8.489 2.311 541 2HH1 ARG 63 2HH1 ARG 63 6.597 -8.691 3.960 542 1HH2 ARG 63 1HH2 ARG 63 9.984 -7.938 3.352 543 2HH2 ARG 63 2HH2 ARG 63 8.818 -8.375 4.556 544 H GLU 64 H GLU 64 9.552 -4.985 -3.505 545 HA GLU 64 HA GLU 64 11.888 -5.839 -2.203 546 1HB GLU 64 1HB GLU 64 11.131 -4.765 -4.871 547 2HB GLU 64 2HB GLU 64 12.783 -4.422 -4.394 548 1HG GLU 64 1HG GLU 64 12.521 -7.090 -3.653 549 2HG GLU 64 2HG GLU 64 11.519 -7.018 -5.089 550 H MET 65 H MET 65 10.374 -2.653 -2.869 551 HA MET 65 HA MET 65 12.602 -1.149 -2.101 552 1HB MET 65 1HB MET 65 9.630 -0.681 -2.486 553 2HB MET 65 2HB MET 65 10.554 0.574 -1.685 554 1HG MET 65 1HG MET 65 12.164 0.577 -3.645 555 2HG MET 65 2HG MET 65 11.134 -0.588 -4.453 556 1HE MET 65 1HE MET 65 9.578 0.330 -6.296 557 2HE MET 65 2HE MET 65 8.631 -0.230 -4.897 558 3HE MET 65 3HE MET 65 8.189 1.284 -5.722 559 H LEU 66 H LEU 66 9.810 -2.538 -0.333 560 HA LEU 66 HA LEU 66 10.164 -1.095 2.038 561 1HB LEU 66 1HB LEU 66 8.787 -3.620 1.234 562 2HB LEU 66 2HB LEU 66 8.993 -3.282 2.941 563 HG LEU 66 HG LEU 66 6.821 -2.535 2.253 564 1HD1 LEU 66 1HD1 LEU 66 7.986 0.152 2.378 565 2HD1 LEU 66 2HD1 LEU 66 6.880 -0.680 3.497 566 3HD1 LEU 66 3HD1 LEU 66 8.634 -0.966 3.602 567 1HD2 LEU 66 1HD2 LEU 66 6.956 -2.263 -0.070 568 2HD2 LEU 66 2HD2 LEU 66 6.657 -0.624 0.556 569 3HD2 LEU 66 3HD2 LEU 66 8.296 -1.098 0.049 570 H GLY 67 H GLY 67 11.084 -4.543 1.325 571 1HA GLY 67 1HA GLY 67 13.153 -5.490 1.762 572 2HA GLY 67 2HA GLY 67 13.593 -4.120 2.762 Start of MODEL 7 1 1H THR 1 1H THR 1 -19.228 42.991 11.210 2 HA THR 1 HA THR 1 -17.958 43.120 9.288 3 HB THR 1 HB THR 1 -15.697 41.981 10.032 4 HG1 THR 1 HG1 THR 1 -15.898 40.976 12.067 5 1HG2 THR 1 1HG2 THR 1 -15.548 44.145 10.819 6 2HG2 THR 1 2HG2 THR 1 -17.253 44.165 11.331 7 3HG2 THR 1 3HG2 THR 1 -16.017 43.429 12.379 8 H TYR 2 H TYR 2 -17.748 39.664 10.388 9 HA TYR 2 HA TYR 2 -18.831 38.647 8.032 10 1HB TYR 2 1HB TYR 2 -16.019 39.523 8.006 11 2HB TYR 2 2HB TYR 2 -16.074 37.782 7.817 12 HD1 TYR 2 HD1 TYR 2 -18.741 37.664 6.287 13 HD2 TYR 2 HD2 TYR 2 -15.258 40.104 5.824 14 HE1 TYR 2 HE1 TYR 2 -19.263 37.952 3.815 15 HE2 TYR 2 HE2 TYR 2 -15.791 40.385 3.354 16 HH TYR 2 HH TYR 2 -17.245 40.041 1.779 17 H SER 3 H SER 3 -18.105 36.181 7.787 18 HA SER 3 HA SER 3 -17.031 34.996 10.090 19 1HB SER 3 1HB SER 3 -19.054 33.843 10.917 20 2HB SER 3 2HB SER 3 -19.219 35.581 11.065 21 HG SER 3 HG SER 3 -21.142 34.574 10.182 22 H LEU 4 H LEU 4 -16.155 33.063 9.401 23 HA LEU 4 HA LEU 4 -17.560 31.440 7.505 24 1HB LEU 4 1HB LEU 4 -16.145 31.580 5.684 25 2HB LEU 4 2HB LEU 4 -16.413 33.248 6.147 26 HG LEU 4 HG LEU 4 -14.014 31.964 7.329 27 1HD1 LEU 4 1HD1 LEU 4 -14.008 32.716 4.397 28 2HD1 LEU 4 2HD1 LEU 4 -12.670 32.042 5.358 29 3HD1 LEU 4 3HD1 LEU 4 -14.098 31.043 4.998 30 1HD2 LEU 4 1HD2 LEU 4 -14.595 34.647 6.051 31 2HD2 LEU 4 2HD2 LEU 4 -14.451 34.279 7.786 32 3HD2 LEU 4 3HD2 LEU 4 -13.021 34.169 6.731 33 H ARG 5 H ARG 5 -16.084 29.437 6.968 34 HA ARG 5 HA ARG 5 -13.927 28.886 8.571 35 1HB ARG 5 1HB ARG 5 -14.906 27.349 10.262 36 2HB ARG 5 2HB ARG 5 -15.533 28.972 10.469 37 1HG ARG 5 1HG ARG 5 -17.651 28.220 10.190 38 2HG ARG 5 2HG ARG 5 -17.251 27.622 8.592 39 1HD ARG 5 1HD ARG 5 -16.074 25.737 10.335 40 2HD ARG 5 2HD ARG 5 -17.600 26.126 11.103 41 HE ARG 5 HE ARG 5 -17.810 25.626 8.213 42 1HH1 ARG 5 1HH1 ARG 5 -17.914 24.202 11.429 43 2HH1 ARG 5 2HH1 ARG 5 -18.834 22.822 10.928 44 1HH2 ARG 5 1HH2 ARG 5 -19.024 23.806 7.551 45 2HH2 ARG 5 2HH2 ARG 5 -19.469 22.596 8.707 46 H THR 6 H THR 6 -13.059 26.778 8.049 47 HA THR 6 HA THR 6 -14.719 24.892 6.638 48 HB THR 6 HB THR 6 -12.473 26.434 5.233 49 HG1 THR 6 HG1 THR 6 -14.276 27.294 4.141 50 1HG2 THR 6 1HG2 THR 6 -14.342 24.476 3.883 51 2HG2 THR 6 2HG2 THR 6 -12.711 24.990 3.393 52 3HG2 THR 6 3HG2 THR 6 -12.915 23.829 4.727 53 H PHE 7 H PHE 7 -13.841 22.810 6.574 54 HA PHE 7 HA PHE 7 -11.127 22.451 7.453 55 1HB PHE 7 1HB PHE 7 -13.212 22.637 9.344 56 2HB PHE 7 2HB PHE 7 -13.126 20.909 9.061 57 HD1 PHE 7 HD1 PHE 7 -10.736 23.734 9.620 58 HD2 PHE 7 HD2 PHE 7 -11.791 19.720 10.502 59 HE1 PHE 7 HE1 PHE 7 -8.794 23.572 11.201 60 HE2 PHE 7 HE2 PHE 7 -9.849 19.557 12.084 61 HZ PHE 7 HZ PHE 7 -8.374 21.485 12.414 62 H PHE 8 H PHE 8 -10.679 19.963 7.673 63 HA PHE 8 HA PHE 8 -10.985 18.720 5.355 64 1HB PHE 8 1HB PHE 8 -10.411 16.730 6.605 65 2HB PHE 8 2HB PHE 8 -9.837 18.040 7.619 66 HD1 PHE 8 HD1 PHE 8 -12.742 15.772 7.131 67 HD2 PHE 8 HD2 PHE 8 -10.571 18.225 9.828 68 HE1 PHE 8 HE1 PHE 8 -14.130 14.906 9.035 69 HE2 PHE 8 HE2 PHE 8 -11.959 17.359 11.732 70 HZ PHE 8 HZ PHE 8 -13.722 15.711 11.313 71 H VAL 9 H VAL 9 -12.457 17.422 4.232 72 HA VAL 9 HA VAL 9 -14.876 16.567 5.497 73 HB VAL 9 HB VAL 9 -15.262 18.997 5.021 74 1HG1 VAL 9 1HG1 VAL 9 -13.936 18.724 2.749 75 2HG1 VAL 9 2HG1 VAL 9 -15.551 18.328 2.112 76 3HG1 VAL 9 3HG1 VAL 9 -15.265 19.898 2.902 77 1HG2 VAL 9 1HG2 VAL 9 -17.483 18.641 4.565 78 2HG2 VAL 9 2HG2 VAL 9 -17.147 17.465 3.271 79 3HG2 VAL 9 3HG2 VAL 9 -16.993 16.980 4.977 80 H ARG 10 H ARG 10 -13.909 14.537 4.834 81 HA ARG 10 HA ARG 10 -13.804 12.818 3.527 82 1HB ARG 10 1HB ARG 10 -15.738 14.527 2.088 83 2HB ARG 10 2HB ARG 10 -14.865 13.470 0.997 84 1HG ARG 10 1HG ARG 10 -16.273 12.515 3.534 85 2HG ARG 10 2HG ARG 10 -16.989 12.455 1.936 86 1HD ARG 10 1HD ARG 10 -15.358 10.866 1.143 87 2HD ARG 10 2HD ARG 10 -14.292 11.157 2.503 88 HE ARG 10 HE ARG 10 -16.884 10.217 3.405 89 1HH1 ARG 10 1HH1 ARG 10 -13.845 9.133 2.001 90 2HH1 ARG 10 2HH1 ARG 10 -13.983 7.523 2.626 91 1HH2 ARG 10 1HH2 ARG 10 -17.067 8.094 4.229 92 2HH2 ARG 10 2HH2 ARG 10 -15.829 6.928 3.902 93 H GLU 11 H GLU 11 -11.519 12.815 3.292 94 HA GLU 11 HA GLU 11 -10.631 13.567 0.671 95 1HB GLU 11 1HB GLU 11 -10.052 15.203 3.010 96 2HB GLU 11 2HB GLU 11 -8.563 14.538 2.369 97 1HG GLU 11 1HG GLU 11 -10.372 15.512 0.243 98 2HG GLU 11 2HG GLU 11 -9.927 16.774 1.374 99 H SER 12 H SER 12 -9.751 11.663 -0.014 100 HA SER 12 HA SER 12 -8.998 9.641 1.671 101 1HB SER 12 1HB SER 12 -8.741 10.271 -1.213 102 2HB SER 12 2HB SER 12 -7.494 9.189 -0.625 103 HG SER 12 HG SER 12 -8.927 7.606 -0.483 104 H ALA 13 H ALA 13 -6.456 8.702 0.970 105 HA ALA 13 HA ALA 13 -4.783 9.806 2.755 106 1HB ALA 13 1HB ALA 13 -3.598 8.890 0.156 107 2HB ALA 13 2HB ALA 13 -3.178 8.434 1.824 108 3HB ALA 13 3HB ALA 13 -4.629 7.750 1.054 109 H GLU 14 H GLU 14 -2.838 11.203 2.552 110 HA GLU 14 HA GLU 14 -3.550 13.631 1.373 111 1HB GLU 14 1HB GLU 14 -1.972 13.049 3.417 112 2HB GLU 14 2HB GLU 14 -0.714 12.977 2.199 113 1HG GLU 14 1HG GLU 14 -1.876 15.327 1.462 114 2HG GLU 14 2HG GLU 14 -2.293 15.341 3.164 115 H GLY 15 H GLY 15 -0.502 14.008 0.583 116 1HA GLY 15 1HA GLY 15 -0.688 14.191 -2.092 117 2HA GLY 15 2HA GLY 15 0.799 13.787 -1.257 118 H LEU 16 H LEU 16 -0.596 11.204 -0.210 119 HA LEU 16 HA LEU 16 -0.159 9.075 -0.836 120 1HB LEU 16 1HB LEU 16 -2.617 9.854 -1.300 121 2HB LEU 16 2HB LEU 16 -2.188 9.584 -2.978 122 HG LEU 16 HG LEU 16 -3.349 7.691 -1.694 123 1HD1 LEU 16 1HD1 LEU 16 -1.938 7.654 -3.919 124 2HD1 LEU 16 2HD1 LEU 16 -0.818 6.686 -2.931 125 3HD1 LEU 16 3HD1 LEU 16 -2.499 6.147 -3.156 126 1HD2 LEU 16 1HD2 LEU 16 -2.007 6.229 -0.347 127 2HD2 LEU 16 2HD2 LEU 16 -0.552 7.213 -0.637 128 3HD2 LEU 16 3HD2 LEU 16 -1.897 7.874 0.325 129 H THR 17 H THR 17 1.706 10.973 -2.090 130 HA THR 17 HA THR 17 1.980 10.337 -4.835 131 HB THR 17 HB THR 17 4.372 11.294 -4.254 132 HG1 THR 17 HG1 THR 17 4.520 11.913 -2.090 133 1HG2 THR 17 1HG2 THR 17 2.047 12.591 -4.897 134 2HG2 THR 17 2HG2 THR 17 2.302 13.224 -3.253 135 3HG2 THR 17 3HG2 THR 17 3.551 13.455 -4.499 136 H GLN 18 H GLN 18 3.663 9.080 -5.872 137 HA GLN 18 HA GLN 18 3.670 6.511 -5.198 138 1HB GLN 18 1HB GLN 18 5.814 8.156 -6.586 139 2HB GLN 18 2HB GLN 18 5.949 6.414 -6.450 140 1HG GLN 18 1HG GLN 18 4.663 6.262 -8.315 141 2HG GLN 18 2HG GLN 18 3.308 6.792 -7.337 142 1HE2 GLN 18 1HE2 GLN 18 5.504 7.550 -9.832 143 2HE2 GLN 18 2HE2 GLN 18 4.975 9.158 -10.199 144 H GLY 19 H GLY 19 5.748 9.071 -3.828 145 1HA GLY 19 1HA GLY 19 7.502 7.266 -2.449 146 2HA GLY 19 2HA GLY 19 7.384 9.005 -2.260 147 H GLU 20 H GLU 20 4.532 9.170 -1.675 148 HA GLU 20 HA GLU 20 4.678 8.679 1.072 149 1HB GLU 20 1HB GLU 20 2.691 9.794 -0.850 150 2HB GLU 20 2HB GLU 20 2.008 9.140 0.625 151 1HG GLU 20 1HG GLU 20 4.434 10.860 0.976 152 2HG GLU 20 2HG GLU 20 2.998 11.686 0.405 153 H LEU 21 H LEU 21 2.986 7.044 -1.666 154 HA LEU 21 HA LEU 21 1.467 5.271 -0.213 155 1HB LEU 21 1HB LEU 21 1.672 5.805 -2.766 156 2HB LEU 21 2HB LEU 21 2.800 4.464 -2.769 157 HG LEU 21 HG LEU 21 0.653 3.645 -3.423 158 1HD1 LEU 21 1HD1 LEU 21 2.059 2.243 -1.891 159 2HD1 LEU 21 2HD1 LEU 21 1.032 2.790 -0.545 160 3HD1 LEU 21 3HD1 LEU 21 0.322 1.854 -1.882 161 1HD2 LEU 21 1HD2 LEU 21 -1.045 3.880 -1.216 162 2HD2 LEU 21 2HD2 LEU 21 -0.320 5.493 -1.414 163 3HD2 LEU 21 3HD2 LEU 21 -1.175 4.729 -2.776 164 H MET 22 H MET 22 4.945 5.167 -1.097 165 HA MET 22 HA MET 22 5.473 2.581 -0.457 166 1HB MET 22 1HB MET 22 7.119 5.129 -0.006 167 2HB MET 22 2HB MET 22 7.804 3.522 0.131 168 1HG MET 22 1HG MET 22 6.512 3.399 -2.340 169 2HG MET 22 2HG MET 22 7.078 5.057 -2.302 170 1HE MET 22 1HE MET 22 8.847 1.128 -2.262 171 2HE MET 22 2HE MET 22 9.739 1.767 -0.861 172 3HE MET 22 3HE MET 22 7.959 1.803 -0.875 173 H LYS 23 H LYS 23 5.835 5.444 1.768 174 HA LYS 23 HA LYS 23 6.395 3.935 4.031 175 1HB LYS 23 1HB LYS 23 6.284 6.612 3.372 176 2HB LYS 23 2HB LYS 23 4.954 6.455 4.501 177 1HG LYS 23 1HG LYS 23 6.418 6.386 6.228 178 2HG LYS 23 2HG LYS 23 7.129 4.923 5.577 179 1HD LYS 23 1HD LYS 23 8.968 6.401 5.642 180 2HD LYS 23 2HD LYS 23 8.452 6.510 3.970 181 1HE LYS 23 1HE LYS 23 8.362 8.763 4.302 182 2HE LYS 23 2HE LYS 23 6.876 8.460 5.181 183 1HZ LYS 23 1HZ LYS 23 8.601 7.976 7.077 184 2HZ LYS 23 2HZ LYS 23 9.516 9.013 6.208 185 3HZ LYS 23 3HZ LYS 23 8.059 9.486 6.772 186 H LEU 24 H LEU 24 3.373 4.608 2.335 187 HA LEU 24 HA LEU 24 1.647 4.068 4.492 188 1HB LEU 24 1HB LEU 24 1.479 4.540 1.612 189 2HB LEU 24 2HB LEU 24 0.276 3.404 2.190 190 HG LEU 24 HG LEU 24 0.674 6.049 3.577 191 1HD1 LEU 24 1HD1 LEU 24 -0.025 7.201 1.817 192 2HD1 LEU 24 2HD1 LEU 24 -0.172 5.711 0.855 193 3HD1 LEU 24 3HD1 LEU 24 -1.544 6.274 1.839 194 1HD2 LEU 24 1HD2 LEU 24 -2.022 5.327 3.530 195 2HD2 LEU 24 2HD2 LEU 24 -1.146 3.802 3.801 196 3HD2 LEU 24 3HD2 LEU 24 -0.890 5.182 4.896 197 H ILE 25 H ILE 25 3.110 2.033 1.894 198 HA ILE 25 HA ILE 25 1.746 -0.308 2.690 199 HB ILE 25 HB ILE 25 3.963 0.412 0.848 200 1HG1 ILE 25 1HG1 ILE 25 1.525 -1.337 0.440 201 2HG1 ILE 25 2HG1 ILE 25 1.496 0.407 0.269 202 1HG2 ILE 25 1HG2 ILE 25 3.895 -2.272 0.464 203 2HG2 ILE 25 2HG2 ILE 25 5.138 -1.421 1.412 204 3HG2 ILE 25 3HG2 ILE 25 3.759 -2.188 2.237 205 1HD1 ILE 25 1HD1 ILE 25 2.757 0.389 -1.675 206 2HD1 ILE 25 2HD1 ILE 25 3.677 -1.055 -1.189 207 3HD1 ILE 25 3HD1 ILE 25 2.018 -1.225 -1.811 208 H LYS 26 H LYS 26 4.990 1.097 3.423 209 HA LYS 26 HA LYS 26 5.860 -1.089 4.952 210 1HB LYS 26 1HB LYS 26 7.164 0.901 3.892 211 2HB LYS 26 2HB LYS 26 6.785 1.746 5.380 212 1HG LYS 26 1HG LYS 26 8.035 -1.032 5.393 213 2HG LYS 26 2HG LYS 26 9.015 0.417 5.296 214 1HD LYS 26 1HD LYS 26 7.082 0.783 7.416 215 2HD LYS 26 2HD LYS 26 7.839 -0.783 7.635 216 1HE LYS 26 1HE LYS 26 9.413 1.793 7.170 217 2HE LYS 26 2HE LYS 26 9.050 1.159 8.763 218 1HZ LYS 26 1HZ LYS 26 11.190 0.430 8.005 219 2HZ LYS 26 2HZ LYS 26 10.202 -0.863 8.151 220 3HZ LYS 26 3HZ LYS 26 10.548 -0.262 6.672 221 H GLU 27 H GLU 27 3.996 1.885 5.717 222 HA GLU 27 HA GLU 27 4.128 1.685 8.451 223 1HB GLU 27 1HB GLU 27 3.240 3.697 7.631 224 2HB GLU 27 2HB GLU 27 2.165 2.893 6.504 225 1HG GLU 27 1HG GLU 27 0.514 2.574 8.083 226 2HG GLU 27 2HG GLU 27 1.656 2.252 9.372 227 H ILE 28 H ILE 28 2.068 -0.008 6.064 228 HA ILE 28 HA ILE 28 0.271 -1.078 7.960 229 HB ILE 28 HB ILE 28 0.890 -1.412 5.090 230 1HG1 ILE 28 1HG1 ILE 28 -1.852 -1.586 5.554 231 2HG1 ILE 28 2HG1 ILE 28 -1.289 -0.505 6.812 232 1HG2 ILE 28 1HG2 ILE 28 -0.514 -3.577 6.679 233 2HG2 ILE 28 2HG2 ILE 28 -0.547 -3.423 4.906 234 3HG2 ILE 28 3HG2 ILE 28 0.992 -3.733 5.744 235 1HD1 ILE 28 1HD1 ILE 28 -0.632 1.132 5.318 236 2HD1 ILE 28 2HD1 ILE 28 -0.158 -0.048 4.073 237 3HD1 ILE 28 3HD1 ILE 28 -1.876 0.352 4.312 238 H VAL 29 H VAL 29 3.517 -1.933 6.832 239 HA VAL 29 HA VAL 29 3.337 -4.545 8.084 240 HB VAL 29 HB VAL 29 5.857 -3.406 6.964 241 1HG1 VAL 29 1HG1 VAL 29 4.537 -6.099 7.195 242 2HG1 VAL 29 2HG1 VAL 29 5.790 -5.826 5.961 243 3HG1 VAL 29 3HG1 VAL 29 6.171 -5.588 7.683 244 1HG2 VAL 29 1HG2 VAL 29 3.328 -3.690 5.461 245 2HG2 VAL 29 2HG2 VAL 29 4.791 -2.748 5.086 246 3HG2 VAL 29 3HG2 VAL 29 4.736 -4.490 4.722 247 H GLU 30 H GLU 30 3.239 -1.728 9.462 248 HA GLU 30 HA GLU 30 5.632 -1.591 10.925 249 1HB GLU 30 1HB GLU 30 4.001 0.309 10.513 250 2HB GLU 30 2HB GLU 30 2.905 -0.439 11.658 251 1HG GLU 30 1HG GLU 30 5.501 -0.317 12.904 252 2HG GLU 30 2HG GLU 30 5.183 1.256 12.199 253 H ASN 31 H ASN 31 2.605 -3.393 11.248 254 HA ASN 31 HA ASN 31 3.759 -4.698 13.548 255 1HB ASN 31 1HB ASN 31 1.607 -4.598 14.803 256 2HB ASN 31 2HB ASN 31 2.224 -2.984 14.508 257 1HD2 ASN 31 1HD2 ASN 31 -0.489 -4.670 14.622 258 2HD2 ASN 31 2HD2 ASN 31 -1.475 -3.885 13.434 259 H GLU 32 H GLU 32 3.844 -5.868 11.125 260 HA GLU 32 HA GLU 32 1.505 -7.028 10.202 261 1HB GLU 32 1HB GLU 32 2.924 -8.353 8.790 262 2HB GLU 32 2HB GLU 32 3.722 -6.804 8.976 263 1HG GLU 32 1HG GLU 32 5.544 -7.786 9.903 264 2HG GLU 32 2HG GLU 32 4.562 -8.548 11.139 265 H ASP 33 H ASP 33 2.393 -9.854 10.006 266 HA ASP 33 HA ASP 33 2.592 -10.778 12.685 267 1HB ASP 33 1HB ASP 33 0.054 -10.213 12.064 268 2HB ASP 33 2HB ASP 33 0.139 -11.729 11.189 269 H LYS 34 H LYS 34 3.016 -13.149 12.691 270 HA LYS 34 HA LYS 34 4.162 -14.023 10.219 271 1HB LYS 34 1HB LYS 34 4.171 -14.886 13.062 272 2HB LYS 34 2HB LYS 34 4.406 -16.151 11.873 273 1HG LYS 34 1HG LYS 34 6.532 -15.467 11.484 274 2HG LYS 34 2HG LYS 34 5.987 -13.848 11.093 275 1HD LYS 34 1HD LYS 34 7.013 -13.155 12.997 276 2HD LYS 34 2HD LYS 34 5.723 -13.944 13.883 277 1HE LYS 34 1HE LYS 34 7.979 -15.694 12.938 278 2HE LYS 34 2HE LYS 34 8.342 -14.573 14.235 279 1HZ LYS 34 1HZ LYS 34 6.511 -16.814 14.226 280 2HZ LYS 34 2HZ LYS 34 7.533 -16.312 15.396 281 3HZ LYS 34 3HZ LYS 34 6.119 -15.532 15.158 282 H ARG 35 H ARG 35 1.286 -14.794 12.231 283 HA ARG 35 HA ARG 35 0.577 -16.953 10.541 284 1HB ARG 35 1HB ARG 35 -0.391 -15.718 13.039 285 2HB ARG 35 2HB ARG 35 -1.720 -16.187 11.999 286 1HG ARG 35 1HG ARG 35 0.571 -18.111 12.531 287 2HG ARG 35 2HG ARG 35 -0.742 -17.954 13.681 288 1HD ARG 35 1HD ARG 35 -1.365 -18.406 10.745 289 2HD ARG 35 2HD ARG 35 -0.903 -19.763 11.753 290 HE ARG 35 HE ARG 35 -3.447 -18.392 11.796 291 1HH1 ARG 35 1HH1 ARG 35 -1.139 -20.020 13.895 292 2HH1 ARG 35 2HH1 ARG 35 -2.331 -20.475 15.066 293 1HH2 ARG 35 1HH2 ARG 35 -5.020 -18.992 13.341 294 2HH2 ARG 35 2HH2 ARG 35 -4.554 -19.886 14.749 295 H LYS 36 H LYS 36 0.459 -13.575 10.235 296 HA LYS 36 HA LYS 36 -1.146 -13.714 7.915 297 1HB LYS 36 1HB LYS 36 -2.571 -13.320 10.358 298 2HB LYS 36 2HB LYS 36 -2.588 -11.802 9.484 299 1HG LYS 36 1HG LYS 36 -3.106 -13.481 7.407 300 2HG LYS 36 2HG LYS 36 -3.760 -14.456 8.708 301 1HD LYS 36 1HD LYS 36 -5.537 -13.050 9.043 302 2HD LYS 36 2HD LYS 36 -4.550 -11.609 8.897 303 1HE LYS 36 1HE LYS 36 -6.049 -11.557 7.020 304 2HE LYS 36 2HE LYS 36 -4.491 -12.020 6.365 305 1HZ LYS 36 1HZ LYS 36 -5.537 -13.773 5.568 306 2HZ LYS 36 2HZ LYS 36 -5.660 -14.361 7.087 307 3HZ LYS 36 3HZ LYS 36 -6.889 -13.501 6.442 308 HA PRO 37 HA PRO 37 1.899 -10.378 8.309 309 1HB PRO 37 1HB PRO 37 3.566 -11.141 6.282 310 2HB PRO 37 2HB PRO 37 3.842 -11.563 7.960 311 1HG PRO 37 1HG PRO 37 2.853 -13.270 5.759 312 2HG PRO 37 2HG PRO 37 3.531 -13.751 7.301 313 1HD PRO 37 1HD PRO 37 0.759 -13.765 6.565 314 2HD PRO 37 2HD PRO 37 1.426 -14.135 8.143 315 H TYR 38 H TYR 38 2.373 -8.533 6.938 316 HA TYR 38 HA TYR 38 0.152 -8.203 5.117 317 1HB TYR 38 1HB TYR 38 2.483 -6.525 6.218 318 2HB TYR 38 2HB TYR 38 1.372 -5.862 5.036 319 HD1 TYR 38 HD1 TYR 38 -1.242 -6.302 5.741 320 HD2 TYR 38 HD2 TYR 38 2.072 -5.962 8.425 321 HE1 TYR 38 HE1 TYR 38 -2.820 -5.620 7.615 322 HE2 TYR 38 HE2 TYR 38 0.484 -5.282 10.289 323 HH TYR 38 HH TYR 38 -1.719 -4.251 10.487 324 H SER 39 H SER 39 1.428 -10.138 3.876 325 HA SER 39 HA SER 39 3.665 -9.391 2.405 326 1HB SER 39 1HB SER 39 2.401 -11.331 0.865 327 2HB SER 39 2HB SER 39 3.532 -11.640 2.167 328 HG SER 39 HG SER 39 1.922 -12.618 3.168 329 H ASP 40 H ASP 40 3.594 -9.395 -0.152 330 HA ASP 40 HA ASP 40 2.435 -7.133 -0.995 331 1HB ASP 40 1HB ASP 40 2.524 -8.298 -3.348 332 2HB ASP 40 2HB ASP 40 4.017 -8.050 -2.465 333 H GLN 41 H GLN 41 1.074 -10.447 -0.817 334 HA GLN 41 HA GLN 41 -1.166 -9.953 -2.405 335 1HB GLN 41 1HB GLN 41 -1.160 -12.201 -2.170 336 2HB GLN 41 2HB GLN 41 -0.094 -12.113 -0.782 337 1HG GLN 41 1HG GLN 41 -2.200 -13.167 -0.105 338 2HG GLN 41 2HG GLN 41 -2.058 -11.612 0.691 339 1HE2 GLN 41 1HE2 GLN 41 -4.384 -11.908 0.928 340 2HE2 GLN 41 2HE2 GLN 41 -5.451 -11.376 -0.328 341 H GLU 42 H GLU 42 -0.647 -9.923 1.186 342 HA GLU 42 HA GLU 42 -3.280 -9.246 1.774 343 1HB GLU 42 1HB GLU 42 -1.133 -10.042 3.240 344 2HB GLU 42 2HB GLU 42 -1.095 -8.329 3.607 345 1HG GLU 42 1HG GLU 42 -3.365 -8.367 4.467 346 2HG GLU 42 2HG GLU 42 -3.648 -9.978 3.837 347 H ILE 43 H ILE 43 -0.322 -7.141 2.090 348 HA ILE 43 HA ILE 43 -1.513 -4.768 2.477 349 HB ILE 43 HB ILE 43 1.018 -5.718 1.427 350 1HG1 ILE 43 1HG1 ILE 43 0.476 -3.170 2.950 351 2HG1 ILE 43 2HG1 ILE 43 0.371 -4.738 3.726 352 1HG2 ILE 43 1HG2 ILE 43 0.162 -2.950 0.542 353 2HG2 ILE 43 2HG2 ILE 43 1.748 -3.719 0.300 354 3HG2 ILE 43 3HG2 ILE 43 0.311 -4.363 -0.530 355 1HD1 ILE 43 1HD1 ILE 43 2.690 -3.288 3.505 356 2HD1 ILE 43 2HD1 ILE 43 2.641 -5.057 3.696 357 3HD1 ILE 43 3HD1 ILE 43 2.819 -4.342 2.076 358 H ALA 44 H ALA 44 -1.076 -6.442 -0.690 359 HA ALA 44 HA ALA 44 -2.046 -4.403 -2.296 360 1HB ALA 44 1HB ALA 44 -2.615 -6.370 -3.838 361 2HB ALA 44 2HB ALA 44 -0.927 -6.263 -3.284 362 3HB ALA 44 3HB ALA 44 -2.040 -7.430 -2.529 363 H ASN 45 H ASN 45 -3.756 -7.062 -0.542 364 HA ASN 45 HA ASN 45 -6.257 -6.423 -1.579 365 1HB ASN 45 1HB ASN 45 -5.211 -8.011 0.770 366 2HB ASN 45 2HB ASN 45 -6.918 -7.615 0.767 367 1HD2 ASN 45 1HD2 ASN 45 -4.313 -9.186 -0.984 368 2HD2 ASN 45 2HD2 ASN 45 -5.278 -10.253 -1.949 369 H ILE 46 H ILE 46 -4.204 -5.058 0.934 370 HA ILE 46 HA ILE 46 -6.258 -3.881 2.493 371 HB ILE 46 HB ILE 46 -3.345 -3.980 2.419 372 1HG1 ILE 46 1HG1 ILE 46 -5.373 -3.628 4.647 373 2HG1 ILE 46 2HG1 ILE 46 -4.741 -5.154 4.063 374 1HG2 ILE 46 1HG2 ILE 46 -4.648 -1.431 3.414 375 2HG2 ILE 46 2HG2 ILE 46 -2.942 -1.896 3.617 376 3HG2 ILE 46 3HG2 ILE 46 -3.591 -1.578 1.990 377 1HD1 ILE 46 1HD1 ILE 46 -3.347 -4.743 5.902 378 2HD1 ILE 46 2HD1 ILE 46 -2.377 -4.067 4.572 379 3HD1 ILE 46 3HD1 ILE 46 -3.325 -2.986 5.621 380 H LEU 47 H LEU 47 -4.422 -2.969 -0.426 381 HA LEU 47 HA LEU 47 -4.964 -0.255 -0.424 382 1HB LEU 47 1HB LEU 47 -4.138 -0.251 -2.543 383 2HB LEU 47 2HB LEU 47 -3.446 -1.732 -1.912 384 HG LEU 47 HG LEU 47 -5.733 -2.712 -3.004 385 1HD1 LEU 47 1HD1 LEU 47 -5.078 -0.170 -4.457 386 2HD1 LEU 47 2HD1 LEU 47 -5.708 -1.571 -5.355 387 3HD1 LEU 47 3HD1 LEU 47 -6.659 -0.865 -4.026 388 1HD2 LEU 47 1HD2 LEU 47 -4.306 -3.886 -4.268 389 2HD2 LEU 47 2HD2 LEU 47 -3.588 -2.427 -4.992 390 3HD2 LEU 47 3HD2 LEU 47 -3.038 -2.992 -3.396 391 H LYS 48 H LYS 48 -6.959 -3.069 -1.397 392 HA LYS 48 HA LYS 48 -8.956 -1.673 -2.720 393 1HB LYS 48 1HB LYS 48 -8.451 -4.333 -1.834 394 2HB LYS 48 2HB LYS 48 -10.056 -3.900 -1.281 395 1HG LYS 48 1HG LYS 48 -10.809 -3.383 -3.504 396 2HG LYS 48 2HG LYS 48 -9.175 -3.315 -4.133 397 1HD LYS 48 1HD LYS 48 -9.140 -5.553 -4.537 398 2HD LYS 48 2HD LYS 48 -9.679 -5.925 -2.912 399 1HE LYS 48 1HE LYS 48 -11.990 -5.772 -3.507 400 2HE LYS 48 2HE LYS 48 -11.649 -4.873 -4.972 401 1HZ LYS 48 1HZ LYS 48 -10.327 -7.041 -5.514 402 2HZ LYS 48 2HZ LYS 48 -11.398 -7.712 -4.479 403 3HZ LYS 48 3HZ LYS 48 -11.929 -6.930 -5.811 404 H GLU 49 H GLU 49 -8.432 -2.334 0.780 405 HA GLU 49 HA GLU 49 -10.895 -1.318 1.582 406 1HB GLU 49 1HB GLU 49 -8.315 -2.070 2.870 407 2HB GLU 49 2HB GLU 49 -9.273 -0.908 3.766 408 1HG GLU 49 1HG GLU 49 -11.147 -2.839 2.877 409 2HG GLU 49 2HG GLU 49 -9.745 -3.775 3.357 410 H LYS 50 H LYS 50 -7.734 0.181 0.862 411 HA LYS 50 HA LYS 50 -8.547 2.720 1.949 412 1HB LYS 50 1HB LYS 50 -6.082 1.477 0.938 413 2HB LYS 50 2HB LYS 50 -6.263 3.152 0.458 414 1HG LYS 50 1HG LYS 50 -5.219 3.367 2.553 415 2HG LYS 50 2HG LYS 50 -6.907 3.576 2.974 416 1HD LYS 50 1HD LYS 50 -5.777 0.776 2.992 417 2HD LYS 50 2HD LYS 50 -5.331 1.852 4.302 418 1HE LYS 50 1HE LYS 50 -8.233 1.404 3.475 419 2HE LYS 50 2HE LYS 50 -7.435 0.405 4.673 420 1HZ LYS 50 1HZ LYS 50 -7.349 2.108 6.134 421 2HZ LYS 50 2HZ LYS 50 -7.266 3.278 4.998 422 3HZ LYS 50 3HZ LYS 50 -8.696 2.563 5.330 423 H GLY 51 H GLY 51 -7.753 1.406 -1.347 424 1HA GLY 51 1HA GLY 51 -9.290 1.799 -3.139 425 2HA GLY 51 2HA GLY 51 -9.685 3.355 -2.438 426 H PHE 52 H PHE 52 -6.368 2.871 -1.968 427 HA PHE 52 HA PHE 52 -5.612 4.929 -3.640 428 1HB PHE 52 1HB PHE 52 -4.062 2.478 -2.606 429 2HB PHE 52 2HB PHE 52 -3.303 3.955 -3.166 430 HD1 PHE 52 HD1 PHE 52 -5.885 5.430 -1.725 431 HD2 PHE 52 HD2 PHE 52 -2.661 2.941 -0.536 432 HE1 PHE 52 HE1 PHE 52 -6.011 6.375 0.597 433 HE2 PHE 52 HE2 PHE 52 -2.787 3.885 1.786 434 HZ PHE 52 HZ PHE 52 -4.461 5.591 2.325 435 H LYS 53 H LYS 53 -3.365 4.124 -5.097 436 HA LYS 53 HA LYS 53 -4.619 2.484 -7.187 437 1HB LYS 53 1HB LYS 53 -3.040 5.012 -7.267 438 2HB LYS 53 2HB LYS 53 -2.748 3.852 -8.547 439 1HG LYS 53 1HG LYS 53 -5.604 4.524 -7.799 440 2HG LYS 53 2HG LYS 53 -4.693 5.658 -8.777 441 1HD LYS 53 1HD LYS 53 -4.102 3.531 -10.240 442 2HD LYS 53 2HD LYS 53 -5.480 2.805 -9.438 443 1HE LYS 53 1HE LYS 53 -6.102 5.519 -10.390 444 2HE LYS 53 2HE LYS 53 -5.549 4.495 -11.699 445 1HZ LYS 53 1HZ LYS 53 -7.192 2.844 -10.510 446 2HZ LYS 53 2HZ LYS 53 -7.912 4.242 -10.068 447 3HZ LYS 53 3HZ LYS 53 -7.696 3.899 -11.650 448 H VAL 54 H VAL 54 -3.759 0.704 -5.661 449 HA VAL 54 HA VAL 54 -0.917 0.263 -6.269 450 HB VAL 54 HB VAL 54 -2.326 -1.199 -4.088 451 1HG1 VAL 54 1HG1 VAL 54 0.290 -0.069 -3.507 452 2HG1 VAL 54 2HG1 VAL 54 -0.241 -1.768 -3.517 453 3HG1 VAL 54 3HG1 VAL 54 0.305 -0.997 -5.026 454 1HG2 VAL 54 1HG2 VAL 54 -1.940 0.600 -2.481 455 2HG2 VAL 54 2HG2 VAL 54 -1.344 1.659 -3.781 456 3HG2 VAL 54 3HG2 VAL 54 -3.047 1.141 -3.766 457 H ALA 55 H ALA 55 -0.626 -2.398 -5.935 458 HA ALA 55 HA ALA 55 -2.603 -4.097 -6.759 459 1HB ALA 55 1HB ALA 55 -1.862 -4.314 -9.241 460 2HB ALA 55 2HB ALA 55 -2.967 -2.988 -8.806 461 3HB ALA 55 3HB ALA 55 -1.234 -2.660 -9.044 462 H ARG 56 H ARG 56 -1.738 -6.249 -7.264 463 HA ARG 56 HA ARG 56 0.285 -7.025 -5.794 464 1HB ARG 56 1HB ARG 56 -0.504 -8.078 -8.551 465 2HB ARG 56 2HB ARG 56 0.621 -8.932 -7.513 466 1HG ARG 56 1HG ARG 56 -1.738 -8.181 -5.976 467 2HG ARG 56 2HG ARG 56 -2.234 -9.019 -7.433 468 1HD ARG 56 1HD ARG 56 -0.060 -10.553 -6.559 469 2HD ARG 56 2HD ARG 56 -0.815 -10.068 -5.054 470 HE ARG 56 HE ARG 56 -2.935 -10.887 -6.704 471 1HH1 ARG 56 1HH1 ARG 56 -0.015 -12.353 -5.397 472 2HH1 ARG 56 2HH1 ARG 56 -0.680 -13.952 -5.362 473 1HH2 ARG 56 1HH2 ARG 56 -3.813 -12.996 -6.658 474 2HH2 ARG 56 2HH2 ARG 56 -2.855 -14.320 -6.084 475 H ARG 57 H ARG 57 0.569 -5.882 -9.222 476 HA ARG 57 HA ARG 57 3.265 -6.358 -9.477 477 1HB ARG 57 1HB ARG 57 3.037 -4.368 -11.214 478 2HB ARG 57 2HB ARG 57 2.180 -5.868 -11.506 479 1HG ARG 57 1HG ARG 57 0.159 -4.840 -11.350 480 2HG ARG 57 2HG ARG 57 0.572 -4.121 -9.806 481 1HD ARG 57 1HD ARG 57 1.082 -2.101 -10.753 482 2HD ARG 57 2HD ARG 57 2.014 -2.839 -12.041 483 HE ARG 57 HE ARG 57 -0.779 -3.355 -12.486 484 1HH1 ARG 57 1HH1 ARG 57 1.566 -0.734 -12.612 485 2HH1 ARG 57 2HH1 ARG 57 0.699 0.153 -13.822 486 1HH2 ARG 57 1HH2 ARG 57 -1.922 -2.185 -14.082 487 2HH2 ARG 57 2HH2 ARG 57 -1.298 -0.677 -14.663 488 H THR 58 H THR 58 1.440 -3.436 -8.361 489 HA THR 58 HA THR 58 3.753 -1.832 -8.013 490 HB THR 58 HB THR 58 0.825 -1.738 -7.194 491 HG1 THR 58 HG1 THR 58 2.669 0.004 -8.667 492 1HG2 THR 58 1HG2 THR 58 2.280 -0.626 -5.380 493 2HG2 THR 58 2HG2 THR 58 2.889 0.453 -6.657 494 3HG2 THR 58 3HG2 THR 58 1.162 0.467 -6.229 495 H VAL 59 H VAL 59 1.827 -3.946 -5.823 496 HA VAL 59 HA VAL 59 3.239 -3.226 -3.507 497 HB VAL 59 HB VAL 59 1.983 -5.915 -3.964 498 1HG1 VAL 59 1HG1 VAL 59 1.953 -4.012 -1.597 499 2HG1 VAL 59 2HG1 VAL 59 1.271 -5.656 -1.644 500 3HG1 VAL 59 3HG1 VAL 59 3.030 -5.417 -1.781 501 1HG2 VAL 59 1HG2 VAL 59 0.703 -3.320 -4.358 502 2HG2 VAL 59 2HG2 VAL 59 0.101 -4.958 -4.707 503 3HG2 VAL 59 3HG2 VAL 59 -0.081 -4.272 -3.074 504 H ALA 60 H ALA 60 3.739 -5.726 -6.044 505 HA ALA 60 HA ALA 60 5.772 -7.119 -4.739 506 1HB ALA 60 1HB ALA 60 6.163 -8.111 -6.877 507 2HB ALA 60 2HB ALA 60 4.420 -7.752 -6.818 508 3HB ALA 60 3HB ALA 60 5.517 -6.692 -7.735 509 H LYS 61 H LYS 61 5.798 -4.207 -6.867 510 HA LYS 61 HA LYS 61 8.592 -4.033 -7.039 511 1HB LYS 61 1HB LYS 61 6.641 -2.885 -8.391 512 2HB LYS 61 2HB LYS 61 6.808 -1.623 -7.188 513 1HG LYS 61 1HG LYS 61 8.705 -0.850 -8.164 514 2HG LYS 61 2HG LYS 61 9.453 -2.433 -8.083 515 1HD LYS 61 1HD LYS 61 9.317 -2.464 -10.354 516 2HD LYS 61 2HD LYS 61 7.603 -2.763 -10.143 517 1HE LYS 61 1HE LYS 61 7.729 -0.867 -11.602 518 2HE LYS 61 2HE LYS 61 7.282 -0.211 -10.040 519 1HZ LYS 61 1HZ LYS 61 9.869 -0.067 -9.820 520 2HZ LYS 61 2HZ LYS 61 9.796 0.001 -11.450 521 3HZ LYS 61 3HZ LYS 61 9.010 1.115 -10.550 522 H TYR 62 H TYR 62 6.168 -2.637 -4.758 523 HA TYR 62 HA TYR 62 8.045 -1.107 -3.320 524 1HB TYR 62 1HB TYR 62 5.262 -2.313 -2.957 525 2HB TYR 62 2HB TYR 62 6.020 -1.557 -1.569 526 HD1 TYR 62 HD1 TYR 62 5.957 -0.582 -5.195 527 HD2 TYR 62 HD2 TYR 62 4.949 0.467 -1.172 528 HE1 TYR 62 HE1 TYR 62 5.145 1.694 -5.985 529 HE2 TYR 62 HE2 TYR 62 4.141 2.740 -1.975 530 HH TYR 62 HH TYR 62 4.962 4.093 -4.670 531 H ARG 63 H ARG 63 6.746 -4.452 -2.934 532 HA ARG 63 HA ARG 63 7.623 -5.025 -0.475 533 1HB ARG 63 1HB ARG 63 6.370 -6.621 -1.883 534 2HB ARG 63 2HB ARG 63 7.733 -6.791 -2.971 535 1HG ARG 63 1HG ARG 63 8.303 -8.590 -1.688 536 2HG ARG 63 2HG ARG 63 8.916 -7.408 -0.549 537 1HD ARG 63 1HD ARG 63 7.043 -7.580 0.863 538 2HD ARG 63 2HD ARG 63 5.975 -8.085 -0.432 539 HE ARG 63 HE ARG 63 6.557 -10.302 0.008 540 1HH1 ARG 63 1HH1 ARG 63 9.061 -8.199 1.308 541 2HH1 ARG 63 2HH1 ARG 63 9.936 -9.492 2.060 542 1HH2 ARG 63 1HH2 ARG 63 7.710 -12.008 0.999 543 2HH2 ARG 63 2HH2 ARG 63 9.162 -11.673 1.883 544 H GLU 64 H GLU 64 9.533 -4.911 -3.528 545 HA GLU 64 HA GLU 64 11.862 -5.961 -2.359 546 1HB GLU 64 1HB GLU 64 11.021 -4.867 -4.966 547 2HB GLU 64 2HB GLU 64 12.683 -4.467 -4.577 548 1HG GLU 64 1HG GLU 64 13.216 -6.551 -5.317 549 2HG GLU 64 2HG GLU 64 12.530 -7.147 -3.818 550 H MET 65 H MET 65 10.523 -2.671 -2.858 551 HA MET 65 HA MET 65 12.879 -1.329 -2.173 552 1HB MET 65 1HB MET 65 9.910 -0.617 -2.234 553 2HB MET 65 2HB MET 65 11.087 0.560 -1.685 554 1HG MET 65 1HG MET 65 12.351 0.166 -3.892 555 2HG MET 65 2HG MET 65 10.974 -0.775 -4.428 556 1HE MET 65 1HE MET 65 8.218 0.945 -4.884 557 2HE MET 65 2HE MET 65 9.210 1.447 -6.274 558 3HE MET 65 3HE MET 65 9.433 -0.167 -5.557 559 H LEU 66 H LEU 66 10.547 -3.093 -0.300 560 HA LEU 66 HA LEU 66 11.924 -2.322 2.113 561 1HB LEU 66 1HB LEU 66 9.562 -2.002 3.189 562 2HB LEU 66 2HB LEU 66 10.427 -0.666 2.455 563 HG LEU 66 HG LEU 66 8.657 -2.109 0.591 564 1HD1 LEU 66 1HD1 LEU 66 6.854 -2.254 1.882 565 2HD1 LEU 66 2HD1 LEU 66 7.649 -1.375 3.211 566 3HD1 LEU 66 3HD1 LEU 66 6.824 -0.474 1.916 567 1HD2 LEU 66 1HD2 LEU 66 9.694 0.580 1.064 568 2HD2 LEU 66 2HD2 LEU 66 9.153 -0.197 -0.443 569 3HD2 LEU 66 3HD2 LEU 66 7.965 0.569 0.638 570 H GLY 67 H GLY 67 8.800 -3.919 1.152 571 1HA GLY 67 1HA GLY 67 8.497 -6.230 1.020 572 2HA GLY 67 2HA GLY 67 9.937 -6.491 1.983 Start of MODEL 8 1 1H THR 1 1H THR 1 -22.882 36.857 -23.133 2 HA THR 1 HA THR 1 -23.946 34.248 -22.763 3 HB THR 1 HB THR 1 -22.408 35.101 -24.635 4 HG1 THR 1 HG1 THR 1 -21.488 32.979 -24.655 5 1HG2 THR 1 1HG2 THR 1 -20.125 35.437 -24.262 6 2HG2 THR 1 2HG2 THR 1 -20.747 36.040 -22.707 7 3HG2 THR 1 3HG2 THR 1 -20.105 34.384 -22.827 8 H TYR 2 H TYR 2 -22.518 32.469 -21.731 9 HA TYR 2 HA TYR 2 -21.019 33.290 -19.438 10 1HB TYR 2 1HB TYR 2 -22.679 32.255 -17.842 11 2HB TYR 2 2HB TYR 2 -23.410 33.600 -18.696 12 HD1 TYR 2 HD1 TYR 2 -23.130 29.877 -18.733 13 HD2 TYR 2 HD2 TYR 2 -25.393 33.302 -19.938 14 HE1 TYR 2 HE1 TYR 2 -25.018 28.364 -19.514 15 HE2 TYR 2 HE2 TYR 2 -27.273 31.778 -20.715 16 HH TYR 2 HH TYR 2 -27.902 29.104 -19.834 17 H SER 3 H SER 3 -20.607 31.185 -18.005 18 HA SER 3 HA SER 3 -20.417 28.948 -19.864 19 1HB SER 3 1HB SER 3 -18.201 28.402 -18.864 20 2HB SER 3 2HB SER 3 -18.200 29.962 -19.661 21 HG SER 3 HG SER 3 -17.159 30.037 -17.565 22 H LEU 4 H LEU 4 -19.408 26.988 -18.167 23 HA LEU 4 HA LEU 4 -20.232 26.839 -15.598 24 1HB LEU 4 1HB LEU 4 -22.518 26.847 -17.396 25 2HB LEU 4 2HB LEU 4 -22.454 25.387 -16.430 26 HG LEU 4 HG LEU 4 -22.122 28.041 -15.071 27 1HD1 LEU 4 1HD1 LEU 4 -24.201 28.762 -15.400 28 2HD1 LEU 4 2HD1 LEU 4 -24.310 27.576 -16.722 29 3HD1 LEU 4 3HD1 LEU 4 -24.892 27.151 -15.095 30 1HD2 LEU 4 1HD2 LEU 4 -22.044 26.678 -13.320 31 2HD2 LEU 4 2HD2 LEU 4 -23.769 26.334 -13.594 32 3HD2 LEU 4 3HD2 LEU 4 -22.526 25.276 -14.305 33 H ARG 5 H ARG 5 -21.184 24.239 -15.315 34 HA ARG 5 HA ARG 5 -20.775 22.118 -15.700 35 1HB ARG 5 1HB ARG 5 -20.109 21.390 -17.772 36 2HB ARG 5 2HB ARG 5 -20.142 23.085 -18.215 37 1HG ARG 5 1HG ARG 5 -17.704 23.236 -17.430 38 2HG ARG 5 2HG ARG 5 -17.720 21.492 -17.262 39 1HD ARG 5 1HD ARG 5 -18.324 23.000 -19.853 40 2HD ARG 5 2HD ARG 5 -16.796 22.230 -19.476 41 HE ARG 5 HE ARG 5 -17.805 20.083 -19.738 42 1HH1 ARG 5 1HH1 ARG 5 -20.157 22.675 -20.101 43 2HH1 ARG 5 2HH1 ARG 5 -21.365 21.654 -20.806 44 1HH2 ARG 5 1HH2 ARG 5 -19.398 18.735 -20.670 45 2HH2 ARG 5 2HH2 ARG 5 -20.930 19.398 -21.132 46 H THR 6 H THR 6 -18.903 20.527 -15.260 47 HA THR 6 HA THR 6 -16.412 21.744 -14.441 48 HB THR 6 HB THR 6 -18.520 20.705 -12.503 49 HG1 THR 6 HG1 THR 6 -18.384 22.973 -12.667 50 1HG2 THR 6 1HG2 THR 6 -15.597 20.306 -12.375 51 2HG2 THR 6 2HG2 THR 6 -16.194 21.323 -11.042 52 3HG2 THR 6 3HG2 THR 6 -16.862 19.691 -11.285 53 H PHE 7 H PHE 7 -14.704 20.314 -14.429 54 HA PHE 7 HA PHE 7 -15.117 17.937 -15.874 55 1HB PHE 7 1HB PHE 7 -13.045 19.626 -15.403 56 2HB PHE 7 2HB PHE 7 -12.709 18.507 -14.096 57 HD1 PHE 7 HD1 PHE 7 -13.740 18.129 -17.674 58 HD2 PHE 7 HD2 PHE 7 -11.008 17.055 -14.610 59 HE1 PHE 7 HE1 PHE 7 -12.536 16.619 -19.277 60 HE2 PHE 7 HE2 PHE 7 -9.803 15.545 -16.213 61 HZ PHE 7 HZ PHE 7 -10.582 15.345 -18.528 62 H PHE 8 H PHE 8 -13.932 15.812 -14.970 63 HA PHE 8 HA PHE 8 -14.344 15.381 -12.171 64 1HB PHE 8 1HB PHE 8 -16.058 14.061 -14.361 65 2HB PHE 8 2HB PHE 8 -16.018 13.492 -12.704 66 HD1 PHE 8 HD1 PHE 8 -16.380 15.598 -10.963 67 HD2 PHE 8 HD2 PHE 8 -17.920 15.286 -14.905 68 HE1 PHE 8 HE1 PHE 8 -18.222 17.197 -10.370 69 HE2 PHE 8 HE2 PHE 8 -19.762 16.884 -14.312 70 HZ PHE 8 HZ PHE 8 -19.891 17.821 -12.052 71 H VAL 9 H VAL 9 -14.282 12.683 -11.953 72 HA VAL 9 HA VAL 9 -12.335 11.670 -13.858 73 HB VAL 9 HB VAL 9 -10.848 12.648 -12.340 74 1HG1 VAL 9 1HG1 VAL 9 -12.981 12.291 -10.445 75 2HG1 VAL 9 2HG1 VAL 9 -11.480 11.608 -9.775 76 3HG1 VAL 9 3HG1 VAL 9 -11.522 13.303 -10.319 77 1HG2 VAL 9 1HG2 VAL 9 -10.649 10.175 -10.847 78 2HG2 VAL 9 2HG2 VAL 9 -11.032 9.847 -12.554 79 3HG2 VAL 9 3HG2 VAL 9 -9.596 10.812 -12.134 80 H ARG 10 H ARG 10 -12.558 10.188 -10.704 81 HA ARG 10 HA ARG 10 -14.893 8.730 -11.183 82 1HB ARG 10 1HB ARG 10 -12.748 7.769 -12.680 83 2HB ARG 10 2HB ARG 10 -12.641 6.783 -11.235 84 1HG ARG 10 1HG ARG 10 -15.402 7.110 -12.319 85 2HG ARG 10 2HG ARG 10 -14.301 6.242 -13.371 86 1HD ARG 10 1HD ARG 10 -14.513 5.529 -10.421 87 2HD ARG 10 2HD ARG 10 -15.654 4.881 -11.582 88 HE ARG 10 HE ARG 10 -12.854 4.120 -11.290 89 1HH1 ARG 10 1HH1 ARG 10 -15.528 4.308 -13.569 90 2HH1 ARG 10 2HH1 ARG 10 -14.904 3.064 -14.601 91 1HH2 ARG 10 1HH2 ARG 10 -12.029 2.480 -12.651 92 2HH2 ARG 10 2HH2 ARG 10 -12.900 2.018 -14.075 93 H GLU 11 H GLU 11 -11.619 7.770 -9.904 94 HA GLU 11 HA GLU 11 -12.123 8.487 -7.295 95 1HB GLU 11 1HB GLU 11 -13.750 6.367 -7.870 96 2HB GLU 11 2HB GLU 11 -12.318 5.505 -7.345 97 1HG GLU 11 1HG GLU 11 -13.142 5.831 -5.238 98 2HG GLU 11 2HG GLU 11 -12.471 7.443 -5.395 99 H SER 12 H SER 12 -9.945 9.114 -7.336 100 HA SER 12 HA SER 12 -8.018 7.097 -8.065 101 1HB SER 12 1HB SER 12 -6.371 8.973 -7.844 102 2HB SER 12 2HB SER 12 -7.654 9.318 -8.986 103 HG SER 12 HG SER 12 -7.499 11.158 -7.730 104 H ALA 13 H ALA 13 -5.826 7.744 -6.446 105 HA ALA 13 HA ALA 13 -6.341 6.300 -4.143 106 1HB ALA 13 1HB ALA 13 -4.092 7.332 -3.431 107 2HB ALA 13 2HB ALA 13 -4.114 6.427 -4.963 108 3HB ALA 13 3HB ALA 13 -4.135 8.207 -4.981 109 H GLU 14 H GLU 14 -4.762 9.265 -3.274 110 HA GLU 14 HA GLU 14 -7.140 10.518 -2.327 111 1HB GLU 14 1HB GLU 14 -5.753 8.670 -0.608 112 2HB GLU 14 2HB GLU 14 -5.490 10.284 0.023 113 1HG GLU 14 1HG GLU 14 -8.170 10.428 -0.571 114 2HG GLU 14 2HG GLU 14 -8.029 8.722 -0.198 115 H GLY 15 H GLY 15 -4.870 11.092 -4.139 116 1HA GLY 15 1HA GLY 15 -3.688 12.946 -4.660 117 2HA GLY 15 2HA GLY 15 -4.227 13.700 -3.173 118 H LEU 16 H LEU 16 -3.016 10.694 -2.277 119 HA LEU 16 HA LEU 16 -0.780 11.799 -1.005 120 1HB LEU 16 1HB LEU 16 -0.320 9.580 -0.280 121 2HB LEU 16 2HB LEU 16 -2.049 9.857 -0.211 122 HG LEU 16 HG LEU 16 -2.323 8.595 -2.331 123 1HD1 LEU 16 1HD1 LEU 16 -0.081 7.081 -2.661 124 2HD1 LEU 16 2HD1 LEU 16 -0.497 8.513 -3.633 125 3HD1 LEU 16 3HD1 LEU 16 0.623 8.666 -2.258 126 1HD2 LEU 16 1HD2 LEU 16 -2.316 6.508 -1.328 127 2HD2 LEU 16 2HD2 LEU 16 -0.817 6.827 -0.423 128 3HD2 LEU 16 3HD2 LEU 16 -2.339 7.606 0.072 129 H THR 17 H THR 17 1.508 11.358 -1.363 130 HA THR 17 HA THR 17 2.105 11.385 -4.208 131 HB THR 17 HB THR 17 4.438 11.938 -3.183 132 HG1 THR 17 HG1 THR 17 4.417 11.727 -0.982 133 1HG2 THR 17 1HG2 THR 17 3.738 14.220 -2.411 134 2HG2 THR 17 2HG2 THR 17 2.942 13.784 -3.942 135 3HG2 THR 17 3HG2 THR 17 2.041 13.685 -2.410 136 H GLN 18 H GLN 18 3.795 10.059 -5.157 137 HA GLN 18 HA GLN 18 3.355 7.421 -4.812 138 1HB GLN 18 1HB GLN 18 4.630 8.695 -6.678 139 2HB GLN 18 2HB GLN 18 6.057 8.511 -5.678 140 1HG GLN 18 1HG GLN 18 6.334 6.399 -6.448 141 2HG GLN 18 2HG GLN 18 4.785 5.942 -5.768 142 1HE2 GLN 18 1HE2 GLN 18 3.637 4.909 -7.203 143 2HE2 GLN 18 2HE2 GLN 18 3.415 5.322 -8.871 144 H GLY 19 H GLY 19 5.564 9.556 -3.011 145 1HA GLY 19 1HA GLY 19 7.080 7.480 -1.778 146 2HA GLY 19 2HA GLY 19 7.000 9.168 -1.312 147 H GLU 20 H GLU 20 4.161 9.423 -0.882 148 HA GLU 20 HA GLU 20 4.013 8.599 1.731 149 1HB GLU 20 1HB GLU 20 2.268 9.904 -0.234 150 2HB GLU 20 2HB GLU 20 1.347 8.898 0.866 151 1HG GLU 20 1HG GLU 20 3.393 10.989 1.750 152 2HG GLU 20 2HG GLU 20 1.663 11.265 1.689 153 H LEU 21 H LEU 21 2.828 7.057 -1.294 154 HA LEU 21 HA LEU 21 1.283 5.074 -0.090 155 1HB LEU 21 1HB LEU 21 1.600 5.890 -2.575 156 2HB LEU 21 2HB LEU 21 2.776 4.592 -2.634 157 HG LEU 21 HG LEU 21 0.710 3.757 -3.479 158 1HD1 LEU 21 1HD1 LEU 21 0.789 1.778 -2.425 159 2HD1 LEU 21 2HD1 LEU 21 2.105 2.526 -1.488 160 3HD1 LEU 21 3HD1 LEU 21 0.451 2.492 -0.830 161 1HD2 LEU 21 1HD2 LEU 21 -1.343 3.694 -1.967 162 2HD2 LEU 21 2HD2 LEU 21 -0.523 4.935 -0.989 163 3HD2 LEU 21 3HD2 LEU 21 -0.916 5.262 -2.694 164 H MET 22 H MET 22 4.794 5.294 -0.829 165 HA MET 22 HA MET 22 5.432 2.674 -0.345 166 1HB MET 22 1HB MET 22 7.036 5.209 0.311 167 2HB MET 22 2HB MET 22 7.730 3.610 0.131 168 1HG MET 22 1HG MET 22 6.437 3.734 -2.247 169 2HG MET 22 2HG MET 22 6.634 5.455 -1.983 170 1HE MET 22 1HE MET 22 8.728 2.326 -0.984 171 2HE MET 22 2HE MET 22 8.407 2.051 -2.713 172 3HE MET 22 3HE MET 22 10.066 2.380 -2.158 173 H LYS 23 H LYS 23 5.706 5.467 1.981 174 HA LYS 23 HA LYS 23 6.316 3.867 4.180 175 1HB LYS 23 1HB LYS 23 6.339 6.521 3.669 176 2HB LYS 23 2HB LYS 23 4.873 6.428 4.623 177 1HG LYS 23 1HG LYS 23 6.115 5.232 6.430 178 2HG LYS 23 2HG LYS 23 7.581 5.294 5.473 179 1HD LYS 23 1HD LYS 23 7.440 7.816 5.481 180 2HD LYS 23 2HD LYS 23 6.029 7.711 6.514 181 1HE LYS 23 1HE LYS 23 7.923 8.085 7.968 182 2HE LYS 23 2HE LYS 23 7.439 6.416 8.196 183 1HZ LYS 23 1HZ LYS 23 9.840 7.452 7.072 184 2HZ LYS 23 2HZ LYS 23 9.552 5.992 7.745 185 3HZ LYS 23 3HZ LYS 23 9.187 6.254 6.175 186 H LEU 24 H LEU 24 3.291 4.572 2.519 187 HA LEU 24 HA LEU 24 1.572 3.977 4.669 188 1HB LEU 24 1HB LEU 24 1.390 4.499 1.793 189 2HB LEU 24 2HB LEU 24 0.180 3.373 2.374 190 HG LEU 24 HG LEU 24 0.619 5.978 3.812 191 1HD1 LEU 24 1HD1 LEU 24 -1.158 5.637 1.381 192 2HD1 LEU 24 2HD1 LEU 24 -0.997 7.092 2.394 193 3HD1 LEU 24 3HD1 LEU 24 0.382 6.530 1.417 194 1HD2 LEU 24 1HD2 LEU 24 -1.202 5.420 4.966 195 2HD2 LEU 24 2HD2 LEU 24 -2.105 4.993 3.492 196 3HD2 LEU 24 3HD2 LEU 24 -1.033 3.796 4.258 197 H ILE 25 H ILE 25 3.065 2.015 2.037 198 HA ILE 25 HA ILE 25 1.697 -0.351 2.743 199 HB ILE 25 HB ILE 25 3.916 0.447 0.950 200 1HG1 ILE 25 1HG1 ILE 25 1.595 -1.432 0.472 201 2HG1 ILE 25 2HG1 ILE 25 1.431 0.310 0.380 202 1HG2 ILE 25 1HG2 ILE 25 4.397 -1.957 0.429 203 2HG2 ILE 25 2HG2 ILE 25 5.017 -1.392 1.999 204 3HG2 ILE 25 3HG2 ILE 25 3.546 -2.392 1.931 205 1HD1 ILE 25 1HD1 ILE 25 3.715 -0.937 -1.131 206 2HD1 ILE 25 2HD1 ILE 25 2.070 -1.157 -1.775 207 3HD1 ILE 25 3HD1 ILE 25 2.723 0.483 -1.544 208 H LYS 26 H LYS 26 4.912 1.052 3.596 209 HA LYS 26 HA LYS 26 5.770 -1.170 5.075 210 1HB LYS 26 1HB LYS 26 7.265 0.571 4.185 211 2HB LYS 26 2HB LYS 26 6.569 1.750 5.278 212 1HG LYS 26 1HG LYS 26 8.442 1.064 6.503 213 2HG LYS 26 2HG LYS 26 7.210 0.008 7.165 214 1HD LYS 26 1HD LYS 26 7.898 -1.751 5.452 215 2HD LYS 26 2HD LYS 26 9.221 -0.703 4.980 216 1HE LYS 26 1HE LYS 26 9.288 -0.898 7.849 217 2HE LYS 26 2HE LYS 26 9.077 -2.524 7.230 218 1HZ LYS 26 1HZ LYS 26 11.268 -0.675 6.771 219 2HZ LYS 26 2HZ LYS 26 11.314 -2.270 7.118 220 3HZ LYS 26 3HZ LYS 26 10.928 -1.773 5.611 221 H GLU 27 H GLU 27 3.609 1.556 5.781 222 HA GLU 27 HA GLU 27 3.731 1.485 8.520 223 1HB GLU 27 1HB GLU 27 2.417 3.016 6.750 224 2HB GLU 27 2HB GLU 27 1.084 1.955 7.162 225 1HG GLU 27 1HG GLU 27 2.197 2.571 9.663 226 2HG GLU 27 2HG GLU 27 2.361 4.074 8.777 227 H ILE 28 H ILE 28 1.903 -0.550 6.194 228 HA ILE 28 HA ILE 28 0.326 -1.829 8.156 229 HB ILE 28 HB ILE 28 0.945 -2.182 5.274 230 1HG1 ILE 28 1HG1 ILE 28 -1.743 -2.535 5.649 231 2HG1 ILE 28 2HG1 ILE 28 -1.349 -1.499 7.006 232 1HG2 ILE 28 1HG2 ILE 28 -0.070 -4.393 7.058 233 2HG2 ILE 28 2HG2 ILE 28 -0.477 -4.306 5.328 234 3HG2 ILE 28 3HG2 ILE 28 1.223 -4.442 5.836 235 1HD1 ILE 28 1HD1 ILE 28 -0.663 -0.943 4.083 236 2HD1 ILE 28 2HD1 ILE 28 -1.927 -0.133 5.040 237 3HD1 ILE 28 3HD1 ILE 28 -0.211 0.100 5.453 238 H VAL 29 H VAL 29 3.509 -2.522 6.621 239 HA VAL 29 HA VAL 29 3.762 -5.007 8.023 240 HB VAL 29 HB VAL 29 6.117 -3.643 6.845 241 1HG1 VAL 29 1HG1 VAL 29 5.016 -6.389 7.141 242 2HG1 VAL 29 2HG1 VAL 29 5.962 -6.069 5.667 243 3HG1 VAL 29 3HG1 VAL 29 6.691 -5.800 7.269 244 1HG2 VAL 29 1HG2 VAL 29 5.191 -4.471 4.532 245 2HG2 VAL 29 2HG2 VAL 29 3.605 -4.235 5.304 246 3HG2 VAL 29 3HG2 VAL 29 4.735 -2.868 5.157 247 H GLU 30 H GLU 30 3.636 -1.934 9.150 248 HA GLU 30 HA GLU 30 6.000 -1.781 10.647 249 1HB GLU 30 1HB GLU 30 4.213 0.054 9.991 250 2HB GLU 30 2HB GLU 30 3.421 -0.432 11.476 251 1HG GLU 30 1HG GLU 30 5.984 -0.183 12.397 252 2HG GLU 30 2HG GLU 30 6.033 0.985 11.091 253 H ASN 31 H ASN 31 3.027 -3.579 10.990 254 HA ASN 31 HA ASN 31 4.045 -4.705 13.407 255 1HB ASN 31 1HB ASN 31 1.988 -4.315 14.731 256 2HB ASN 31 2HB ASN 31 2.678 -2.777 14.252 257 1HD2 ASN 31 1HD2 ASN 31 1.859 -1.818 12.219 258 2HD2 ASN 31 2HD2 ASN 31 0.170 -1.949 11.854 259 H GLU 32 H GLU 32 3.994 -6.106 11.156 260 HA GLU 32 HA GLU 32 1.550 -7.080 10.292 261 1HB GLU 32 1HB GLU 32 2.851 -8.759 9.103 262 2HB GLU 32 2HB GLU 32 3.713 -7.235 9.037 263 1HG GLU 32 1HG GLU 32 5.425 -7.971 10.417 264 2HG GLU 32 2HG GLU 32 4.369 -8.995 11.370 265 H ASP 33 H ASP 33 2.095 -9.990 10.374 266 HA ASP 33 HA ASP 33 2.136 -10.657 13.144 267 1HB ASP 33 1HB ASP 33 -0.309 -9.926 12.344 268 2HB ASP 33 2HB ASP 33 -0.336 -11.527 11.632 269 H LYS 34 H LYS 34 1.872 -13.171 13.345 270 HA LYS 34 HA LYS 34 3.429 -14.387 11.316 271 1HB LYS 34 1HB LYS 34 2.318 -15.111 13.960 272 2HB LYS 34 2HB LYS 34 2.514 -16.453 12.852 273 1HG LYS 34 1HG LYS 34 4.666 -16.439 13.675 274 2HG LYS 34 2HG LYS 34 4.900 -15.235 12.424 275 1HD LYS 34 1HD LYS 34 4.680 -13.411 13.980 276 2HD LYS 34 2HD LYS 34 3.996 -14.443 15.220 277 1HE LYS 34 1HE LYS 34 6.121 -15.581 15.569 278 2HE LYS 34 2HE LYS 34 6.825 -14.835 14.148 279 1HZ LYS 34 1HZ LYS 34 5.958 -13.413 16.569 280 2HZ LYS 34 2HZ LYS 34 7.503 -13.702 16.125 281 3HZ LYS 34 3HZ LYS 34 6.573 -12.696 15.236 282 H ARG 35 H ARG 35 0.114 -15.254 12.540 283 HA ARG 35 HA ARG 35 -0.395 -16.691 10.178 284 1HB ARG 35 1HB ARG 35 -1.599 -16.351 12.774 285 2HB ARG 35 2HB ARG 35 -2.841 -16.007 11.585 286 1HG ARG 35 1HG ARG 35 -1.149 -18.413 11.025 287 2HG ARG 35 2HG ARG 35 -2.198 -18.536 12.424 288 1HD ARG 35 1HD ARG 35 -4.070 -17.607 10.809 289 2HD ARG 35 2HD ARG 35 -2.976 -18.079 9.524 290 HE ARG 35 HE ARG 35 -3.388 -20.196 11.504 291 1HH1 ARG 35 1HH1 ARG 35 -4.644 -18.724 8.564 292 2HH1 ARG 35 2HH1 ARG 35 -5.489 -20.150 8.060 293 1HH2 ARG 35 1HH2 ARG 35 -4.503 -22.076 10.839 294 2HH2 ARG 35 2HH2 ARG 35 -5.409 -22.069 9.362 295 H LYS 36 H LYS 36 -0.206 -13.400 10.742 296 HA LYS 36 HA LYS 36 -1.916 -12.852 8.456 297 1HB LYS 36 1HB LYS 36 -2.492 -12.012 11.219 298 2HB LYS 36 2HB LYS 36 -2.482 -10.694 10.066 299 1HG LYS 36 1HG LYS 36 -3.859 -13.060 8.986 300 2HG LYS 36 2HG LYS 36 -4.578 -12.532 10.494 301 1HD LYS 36 1HD LYS 36 -4.077 -10.146 9.025 302 2HD LYS 36 2HD LYS 36 -4.714 -11.284 7.854 303 1HE LYS 36 1HE LYS 36 -6.629 -10.179 8.799 304 2HE LYS 36 2HE LYS 36 -6.610 -11.783 9.506 305 1HZ LYS 36 1HZ LYS 36 -6.841 -9.701 10.985 306 2HZ LYS 36 2HZ LYS 36 -5.949 -10.966 11.504 307 3HZ LYS 36 3HZ LYS 36 -5.212 -9.645 10.889 308 HA PRO 37 HA PRO 37 2.099 -10.833 8.260 309 1HB PRO 37 1HB PRO 37 2.761 -11.636 5.733 310 2HB PRO 37 2HB PRO 37 3.253 -12.504 7.174 311 1HG PRO 37 1HG PRO 37 1.151 -13.203 5.216 312 2HG PRO 37 2HG PRO 37 1.939 -14.232 6.395 313 1HD PRO 37 1HD PRO 37 -0.695 -13.113 6.584 314 2HD PRO 37 2HD PRO 37 0.138 -14.046 7.811 315 H TYR 38 H TYR 38 2.951 -9.745 5.818 316 HA TYR 38 HA TYR 38 0.673 -8.263 4.836 317 1HB TYR 38 1HB TYR 38 2.919 -7.253 6.636 318 2HB TYR 38 2HB TYR 38 2.322 -6.167 5.397 319 HD1 TYR 38 HD1 TYR 38 -0.616 -6.999 5.488 320 HD2 TYR 38 HD2 TYR 38 2.199 -6.103 8.583 321 HE1 TYR 38 HE1 TYR 38 -2.517 -6.297 7.024 322 HE2 TYR 38 HE2 TYR 38 0.289 -5.404 10.108 323 HH TYR 38 HH TYR 38 -2.356 -6.152 10.137 324 H SER 39 H SER 39 2.024 -10.053 3.338 325 HA SER 39 HA SER 39 4.329 -8.923 2.161 326 1HB SER 39 1HB SER 39 3.441 -10.820 0.357 327 2HB SER 39 2HB SER 39 4.483 -11.147 1.728 328 HG SER 39 HG SER 39 2.918 -12.312 2.590 329 H ASP 40 H ASP 40 4.361 -8.668 -0.389 330 HA ASP 40 HA ASP 40 2.963 -6.485 -1.059 331 1HB ASP 40 1HB ASP 40 3.219 -7.628 -3.522 332 2HB ASP 40 2HB ASP 40 4.552 -6.879 -2.665 333 H GLN 41 H GLN 41 1.936 -9.880 -1.039 334 HA GLN 41 HA GLN 41 -0.219 -9.605 -2.801 335 1HB GLN 41 1HB GLN 41 0.272 -11.834 -2.542 336 2HB GLN 41 2HB GLN 41 0.797 -11.640 -0.882 337 1HG GLN 41 1HG GLN 41 -1.273 -12.974 -0.955 338 2HG GLN 41 2HG GLN 41 -1.572 -11.455 -0.134 339 1HE2 GLN 41 1HE2 GLN 41 -3.768 -11.605 -0.572 340 2HE2 GLN 41 2HE2 GLN 41 -4.445 -11.264 -2.130 341 H GLU 42 H GLU 42 -0.183 -9.960 0.827 342 HA GLU 42 HA GLU 42 -2.834 -9.382 1.169 343 1HB GLU 42 1HB GLU 42 -0.856 -10.161 2.816 344 2HB GLU 42 2HB GLU 42 -0.859 -8.462 3.245 345 1HG GLU 42 1HG GLU 42 -3.146 -8.528 3.971 346 2HG GLU 42 2HG GLU 42 -3.451 -10.051 3.159 347 H ILE 43 H ILE 43 -0.103 -7.097 1.938 348 HA ILE 43 HA ILE 43 -1.407 -4.841 2.374 349 HB ILE 43 HB ILE 43 1.177 -5.562 1.274 350 1HG1 ILE 43 1HG1 ILE 43 0.603 -3.098 2.886 351 2HG1 ILE 43 2HG1 ILE 43 0.356 -4.670 3.619 352 1HG2 ILE 43 1HG2 ILE 43 0.194 -2.785 0.578 353 2HG2 ILE 43 2HG2 ILE 43 1.785 -3.503 0.229 354 3HG2 ILE 43 3HG2 ILE 43 0.332 -4.119 -0.592 355 1HD1 ILE 43 1HD1 ILE 43 2.907 -4.473 2.128 356 2HD1 ILE 43 2HD1 ILE 43 2.782 -3.338 3.494 357 3HD1 ILE 43 3HD1 ILE 43 2.594 -5.086 3.770 358 H ALA 44 H ALA 44 -1.063 -6.425 -0.821 359 HA ALA 44 HA ALA 44 -2.023 -4.345 -2.386 360 1HB ALA 44 1HB ALA 44 -1.303 -7.093 -2.653 361 2HB ALA 44 2HB ALA 44 -2.914 -6.896 -3.383 362 3HB ALA 44 3HB ALA 44 -1.555 -5.892 -3.943 363 H ASN 45 H ASN 45 -3.801 -7.124 -0.858 364 HA ASN 45 HA ASN 45 -6.288 -6.195 -1.703 365 1HB ASN 45 1HB ASN 45 -6.843 -7.715 0.552 366 2HB ASN 45 2HB ASN 45 -6.588 -8.381 -1.049 367 1HD2 ASN 45 1HD2 ASN 45 -4.517 -9.140 -1.652 368 2HD2 ASN 45 2HD2 ASN 45 -3.368 -9.683 -0.476 369 H ILE 46 H ILE 46 -4.062 -5.088 0.673 370 HA ILE 46 HA ILE 46 -6.026 -4.171 2.566 371 HB ILE 46 HB ILE 46 -3.055 -4.129 2.317 372 1HG1 ILE 46 1HG1 ILE 46 -5.050 -5.023 4.408 373 2HG1 ILE 46 2HG1 ILE 46 -4.018 -6.027 3.409 374 1HG2 ILE 46 1HG2 ILE 46 -4.633 -1.972 3.497 375 2HG2 ILE 46 2HG2 ILE 46 -3.519 -2.734 4.657 376 3HG2 ILE 46 3HG2 ILE 46 -2.893 -2.061 3.133 377 1HD1 ILE 46 1HD1 ILE 46 -2.464 -5.953 5.053 378 2HD1 ILE 46 2HD1 ILE 46 -2.254 -4.220 4.707 379 3HD1 ILE 46 3HD1 ILE 46 -3.414 -4.744 5.951 380 H LEU 47 H LEU 47 -3.860 -2.759 0.036 381 HA LEU 47 HA LEU 47 -4.568 -0.113 0.451 382 1HB LEU 47 1HB LEU 47 -3.546 -1.661 -1.911 383 2HB LEU 47 2HB LEU 47 -3.935 0.042 -2.054 384 HG LEU 47 HG LEU 47 -2.052 0.687 -1.031 385 1HD1 LEU 47 1HD1 LEU 47 -1.131 -0.423 1.028 386 2HD1 LEU 47 2HD1 LEU 47 -2.789 0.206 1.180 387 3HD1 LEU 47 3HD1 LEU 47 -2.515 -1.540 0.964 388 1HD2 LEU 47 1HD2 LEU 47 -1.494 -1.430 -2.542 389 2HD2 LEU 47 2HD2 LEU 47 -0.243 -0.563 -1.619 390 3HD2 LEU 47 3HD2 LEU 47 -0.932 -2.076 -0.982 391 H LYS 48 H LYS 48 -6.211 -2.765 -1.290 392 HA LYS 48 HA LYS 48 -8.014 -1.239 -2.735 393 1HB LYS 48 1HB LYS 48 -7.469 -3.915 -2.400 394 2HB LYS 48 2HB LYS 48 -9.051 -3.778 -1.658 395 1HG LYS 48 1HG LYS 48 -9.936 -2.666 -3.701 396 2HG LYS 48 2HG LYS 48 -8.350 -2.732 -4.443 397 1HD LYS 48 1HD LYS 48 -9.537 -4.610 -5.335 398 2HD LYS 48 2HD LYS 48 -8.436 -5.285 -4.150 399 1HE LYS 48 1HE LYS 48 -10.604 -4.803 -2.543 400 2HE LYS 48 2HE LYS 48 -11.423 -5.079 -4.068 401 1HZ LYS 48 1HZ LYS 48 -11.065 -7.111 -2.835 402 2HZ LYS 48 2HZ LYS 48 -10.274 -7.163 -4.263 403 3HZ LYS 48 3HZ LYS 48 -9.446 -6.901 -2.880 404 H GLU 49 H GLU 49 -8.001 -2.282 0.696 405 HA GLU 49 HA GLU 49 -10.628 -1.534 1.212 406 1HB GLU 49 1HB GLU 49 -10.143 -2.050 3.429 407 2HB GLU 49 2HB GLU 49 -8.870 -2.934 2.610 408 1HG GLU 49 1HG GLU 49 -7.466 -1.806 4.020 409 2HG GLU 49 2HG GLU 49 -7.660 -0.478 2.893 410 H LYS 50 H LYS 50 -7.663 0.302 0.783 411 HA LYS 50 HA LYS 50 -8.752 2.632 2.117 412 1HB LYS 50 1HB LYS 50 -6.125 1.672 1.324 413 2HB LYS 50 2HB LYS 50 -6.381 3.318 0.781 414 1HG LYS 50 1HG LYS 50 -5.590 3.685 2.953 415 2HG LYS 50 2HG LYS 50 -7.321 3.716 3.220 416 1HD LYS 50 1HD LYS 50 -7.226 1.889 4.567 417 2HD LYS 50 2HD LYS 50 -6.358 0.967 3.356 418 1HE LYS 50 1HE LYS 50 -4.854 1.074 5.203 419 2HE LYS 50 2HE LYS 50 -4.240 2.268 4.077 420 1HZ LYS 50 1HZ LYS 50 -5.280 3.975 5.323 421 2HZ LYS 50 2HZ LYS 50 -6.062 2.915 6.288 422 3HZ LYS 50 3HZ LYS 50 -4.437 3.056 6.376 423 H GLY 51 H GLY 51 -7.807 1.546 -1.206 424 1HA GLY 51 1HA GLY 51 -9.450 2.098 -2.938 425 2HA GLY 51 2HA GLY 51 -9.536 3.709 -2.254 426 H PHE 52 H PHE 52 -6.353 2.841 -1.803 427 HA PHE 52 HA PHE 52 -5.361 4.628 -3.655 428 1HB PHE 52 1HB PHE 52 -4.177 2.138 -2.289 429 2HB PHE 52 2HB PHE 52 -3.186 3.327 -3.112 430 HD1 PHE 52 HD1 PHE 52 -4.652 5.815 -2.211 431 HD2 PHE 52 HD2 PHE 52 -3.389 2.367 -0.086 432 HE1 PHE 52 HE1 PHE 52 -4.517 7.166 -0.100 433 HE2 PHE 52 HE2 PHE 52 -3.254 3.717 2.026 434 HZ PHE 52 HZ PHE 52 -3.819 6.101 1.993 435 H LYS 53 H LYS 53 -3.876 4.198 -5.519 436 HA LYS 53 HA LYS 53 -5.032 2.092 -7.164 437 1HB LYS 53 1HB LYS 53 -4.677 4.669 -7.747 438 2HB LYS 53 2HB LYS 53 -3.088 4.104 -8.221 439 1HG LYS 53 1HG LYS 53 -3.941 3.279 -10.151 440 2HG LYS 53 2HG LYS 53 -4.987 2.205 -9.244 441 1HD LYS 53 1HD LYS 53 -6.713 3.967 -9.066 442 2HD LYS 53 2HD LYS 53 -5.655 5.124 -9.849 443 1HE LYS 53 1HE LYS 53 -6.094 4.301 -11.945 444 2HE LYS 53 2HE LYS 53 -6.004 2.633 -11.417 445 1HZ LYS 53 1HZ LYS 53 -8.233 3.390 -10.241 446 2HZ LYS 53 2HZ LYS 53 -8.285 4.375 -11.543 447 3HZ LYS 53 3HZ LYS 53 -8.196 2.758 -11.747 448 H VAL 54 H VAL 54 -3.994 0.304 -6.055 449 HA VAL 54 HA VAL 54 -1.159 0.111 -6.798 450 HB VAL 54 HB VAL 54 -2.097 -1.409 -4.445 451 1HG1 VAL 54 1HG1 VAL 54 0.360 0.329 -4.798 452 2HG1 VAL 54 2HG1 VAL 54 0.111 -1.006 -3.647 453 3HG1 VAL 54 3HG1 VAL 54 0.257 -1.347 -5.388 454 1HG2 VAL 54 1HG2 VAL 54 -1.945 1.612 -4.455 455 2HG2 VAL 54 2HG2 VAL 54 -3.237 0.561 -3.825 456 3HG2 VAL 54 3HG2 VAL 54 -1.673 0.654 -2.980 457 H ALA 55 H ALA 55 -1.010 -2.664 -5.857 458 HA ALA 55 HA ALA 55 -2.856 -4.420 -6.583 459 1HB ALA 55 1HB ALA 55 -3.419 -3.701 -8.699 460 2HB ALA 55 2HB ALA 55 -1.805 -3.022 -9.017 461 3HB ALA 55 3HB ALA 55 -2.066 -4.780 -9.117 462 H ARG 56 H ARG 56 -1.999 -6.557 -6.663 463 HA ARG 56 HA ARG 56 0.156 -7.128 -5.361 464 1HB ARG 56 1HB ARG 56 0.410 -9.217 -6.923 465 2HB ARG 56 2HB ARG 56 -1.124 -8.981 -6.109 466 1HG ARG 56 1HG ARG 56 -1.818 -7.647 -8.267 467 2HG ARG 56 2HG ARG 56 -0.437 -8.424 -9.015 468 1HD ARG 56 1HD ARG 56 -1.529 -10.420 -9.187 469 2HD ARG 56 2HD ARG 56 -2.043 -10.371 -7.512 470 HE ARG 56 HE ARG 56 -4.089 -9.399 -8.169 471 1HH1 ARG 56 1HH1 ARG 56 -1.835 -9.406 -10.871 472 2HH1 ARG 56 2HH1 ARG 56 -3.033 -8.955 -12.037 473 1HH2 ARG 56 1HH2 ARG 56 -5.670 -8.804 -9.707 474 2HH2 ARG 56 2HH2 ARG 56 -5.230 -8.610 -11.371 475 H ARG 57 H ARG 57 0.139 -6.356 -8.895 476 HA ARG 57 HA ARG 57 2.803 -6.870 -9.344 477 1HB ARG 57 1HB ARG 57 0.594 -5.853 -10.804 478 2HB ARG 57 2HB ARG 57 1.804 -4.590 -10.913 479 1HG ARG 57 1HG ARG 57 3.207 -7.046 -11.300 480 2HG ARG 57 2HG ARG 57 1.739 -7.182 -12.247 481 1HD ARG 57 1HD ARG 57 2.580 -4.561 -12.780 482 2HD ARG 57 2HD ARG 57 4.092 -5.440 -12.676 483 HE ARG 57 HE ARG 57 2.404 -7.046 -14.251 484 1HH1 ARG 57 1HH1 ARG 57 3.740 -3.796 -14.430 485 2HH1 ARG 57 2HH1 ARG 57 3.750 -3.757 -16.162 486 1HH2 ARG 57 1HH2 ARG 57 2.417 -6.997 -16.536 487 2HH2 ARG 57 2HH2 ARG 57 2.992 -5.591 -17.368 488 H THR 58 H THR 58 1.113 -3.715 -8.662 489 HA THR 58 HA THR 58 3.448 -2.170 -8.566 490 HB THR 58 HB THR 58 0.563 -1.940 -7.693 491 HG1 THR 58 HG1 THR 58 0.859 -0.184 -9.253 492 1HG2 THR 58 1HG2 THR 58 2.102 -0.809 -5.907 493 2HG2 THR 58 2HG2 THR 58 2.602 0.280 -7.224 494 3HG2 THR 58 3HG2 THR 58 0.898 0.227 -6.711 495 H VAL 59 H VAL 59 1.593 -3.834 -5.947 496 HA VAL 59 HA VAL 59 3.147 -2.904 -3.850 497 HB VAL 59 HB VAL 59 1.946 -5.656 -3.933 498 1HG1 VAL 59 1HG1 VAL 59 1.816 -3.553 -1.758 499 2HG1 VAL 59 2HG1 VAL 59 1.493 -5.299 -1.629 500 3HG1 VAL 59 3HG1 VAL 59 3.154 -4.719 -1.899 501 1HG2 VAL 59 1HG2 VAL 59 0.577 -3.133 -4.503 502 2HG2 VAL 59 2HG2 VAL 59 0.011 -4.811 -4.683 503 3HG2 VAL 59 3HG2 VAL 59 -0.115 -3.993 -3.107 504 H ALA 60 H ALA 60 3.558 -5.743 -6.037 505 HA ALA 60 HA ALA 60 5.637 -6.984 -4.760 506 1HB ALA 60 1HB ALA 60 4.621 -6.752 -7.555 507 2HB ALA 60 2HB ALA 60 6.272 -7.386 -7.361 508 3HB ALA 60 3HB ALA 60 4.908 -8.198 -6.558 509 H LYS 61 H LYS 61 5.671 -4.117 -6.945 510 HA LYS 61 HA LYS 61 8.463 -3.931 -7.105 511 1HB LYS 61 1HB LYS 61 6.153 -2.084 -7.633 512 2HB LYS 61 2HB LYS 61 7.783 -1.441 -7.629 513 1HG LYS 61 1HG LYS 61 8.460 -3.201 -9.297 514 2HG LYS 61 2HG LYS 61 6.810 -3.790 -9.325 515 1HD LYS 61 1HD LYS 61 6.301 -2.246 -10.902 516 2HD LYS 61 2HD LYS 61 6.636 -0.971 -9.747 517 1HE LYS 61 1HE LYS 61 9.200 -1.788 -10.535 518 2HE LYS 61 2HE LYS 61 8.275 -1.923 -12.017 519 1HZ LYS 61 1HZ LYS 61 9.175 0.279 -11.707 520 2HZ LYS 61 2HZ LYS 61 7.543 0.333 -11.713 521 3HZ LYS 61 3HZ LYS 61 8.359 0.464 -10.305 522 H TYR 62 H TYR 62 6.027 -2.551 -4.832 523 HA TYR 62 HA TYR 62 7.861 -0.960 -3.417 524 1HB TYR 62 1HB TYR 62 5.124 -2.251 -3.051 525 2HB TYR 62 2HB TYR 62 5.868 -1.531 -1.637 526 HD1 TYR 62 HD1 TYR 62 5.024 0.561 -1.136 527 HD2 TYR 62 HD2 TYR 62 5.499 -0.530 -5.245 528 HE1 TYR 62 HE1 TYR 62 4.158 2.843 -1.849 529 HE2 TYR 62 HE2 TYR 62 4.631 1.756 -5.945 530 HH TYR 62 HH TYR 62 2.921 3.552 -4.495 531 H ARG 63 H ARG 63 6.742 -4.364 -3.041 532 HA ARG 63 HA ARG 63 7.688 -4.873 -0.574 533 1HB ARG 63 1HB ARG 63 6.428 -6.525 -1.896 534 2HB ARG 63 2HB ARG 63 7.734 -6.658 -3.057 535 1HG ARG 63 1HG ARG 63 8.996 -7.190 -0.603 536 2HG ARG 63 2HG ARG 63 7.430 -7.957 -0.424 537 1HD ARG 63 1HD ARG 63 7.838 -9.514 -2.099 538 2HD ARG 63 2HD ARG 63 8.800 -8.403 -3.054 539 HE ARG 63 HE ARG 63 10.723 -9.123 -1.924 540 1HH1 ARG 63 1HH1 ARG 63 7.874 -10.122 -0.116 541 2HH1 ARG 63 2HH1 ARG 63 8.768 -11.095 1.003 542 1HH2 ARG 63 1HH2 ARG 63 11.903 -10.407 -0.448 543 2HH2 ARG 63 2HH2 ARG 63 11.076 -11.258 0.813 544 H GLU 64 H GLU 64 9.482 -4.758 -3.697 545 HA GLU 64 HA GLU 64 11.875 -5.747 -2.624 546 1HB GLU 64 1HB GLU 64 10.911 -4.648 -5.182 547 2HB GLU 64 2HB GLU 64 12.570 -4.192 -4.850 548 1HG GLU 64 1HG GLU 64 13.189 -6.250 -5.578 549 2HG GLU 64 2HG GLU 64 12.479 -6.906 -4.116 550 H MET 65 H MET 65 10.457 -2.476 -3.035 551 HA MET 65 HA MET 65 12.808 -1.099 -2.406 552 1HB MET 65 1HB MET 65 9.885 -0.538 -2.725 553 2HB MET 65 2HB MET 65 10.709 0.581 -1.658 554 1HG MET 65 1HG MET 65 11.133 1.659 -3.666 555 2HG MET 65 2HG MET 65 12.524 0.594 -3.655 556 1HE MET 65 1HE MET 65 8.964 0.974 -4.300 557 2HE MET 65 2HE MET 65 9.071 1.153 -6.068 558 3HE MET 65 3HE MET 65 8.495 -0.376 -5.361 559 H LEU 66 H LEU 66 10.110 -2.436 -0.457 560 HA LEU 66 HA LEU 66 11.097 -1.189 1.945 561 1HB LEU 66 1HB LEU 66 8.845 -3.114 1.373 562 2HB LEU 66 2HB LEU 66 9.249 -2.550 2.983 563 HG LEU 66 HG LEU 66 7.625 -1.047 2.512 564 1HD1 LEU 66 1HD1 LEU 66 9.867 0.326 1.008 565 2HD1 LEU 66 2HD1 LEU 66 8.499 1.092 1.851 566 3HD1 LEU 66 3HD1 LEU 66 9.746 0.227 2.781 567 1HD2 LEU 66 1HD2 LEU 66 8.234 -0.680 -0.394 568 2HD2 LEU 66 2HD2 LEU 66 7.446 -2.184 0.141 569 3HD2 LEU 66 3HD2 LEU 66 6.680 -0.612 0.472 570 H GLY 67 H GLY 67 10.512 -4.634 0.930 571 1HA GLY 67 1HA GLY 67 11.968 -5.829 2.955 572 2HA GLY 67 2HA GLY 67 11.665 -6.512 1.369 Start of MODEL 9 1 1H THR 1 1H THR 1 -23.859 38.216 22.283 2 HA THR 1 HA THR 1 -23.561 40.036 20.074 3 HB THR 1 HB THR 1 -22.636 40.007 22.993 4 HG1 THR 1 HG1 THR 1 -24.590 41.547 21.437 5 1HG2 THR 1 1HG2 THR 1 -21.732 41.693 20.835 6 2HG2 THR 1 2HG2 THR 1 -22.874 42.642 21.816 7 3HG2 THR 1 3HG2 THR 1 -21.442 41.909 22.578 8 H TYR 2 H TYR 2 -22.464 37.640 19.265 9 HA TYR 2 HA TYR 2 -19.896 38.466 18.517 10 1HB TYR 2 1HB TYR 2 -18.647 36.695 19.833 11 2HB TYR 2 2HB TYR 2 -19.402 37.859 20.904 12 HD1 TYR 2 HD1 TYR 2 -19.825 34.458 19.438 13 HD2 TYR 2 HD2 TYR 2 -20.964 37.169 22.546 14 HE1 TYR 2 HE1 TYR 2 -21.019 32.572 20.656 15 HE2 TYR 2 HE2 TYR 2 -22.154 35.274 23.754 16 HH TYR 2 HH TYR 2 -21.610 32.313 23.433 17 H SER 3 H SER 3 -18.629 36.289 17.679 18 HA SER 3 HA SER 3 -20.616 34.461 16.644 19 1HB SER 3 1HB SER 3 -19.291 36.537 15.078 20 2HB SER 3 2HB SER 3 -18.855 34.952 14.468 21 HG SER 3 HG SER 3 -20.801 35.759 13.466 22 H LEU 4 H LEU 4 -19.215 32.747 15.147 23 HA LEU 4 HA LEU 4 -16.540 32.350 15.943 24 1HB LEU 4 1HB LEU 4 -18.176 31.720 17.975 25 2HB LEU 4 2HB LEU 4 -18.227 30.202 17.101 26 HG LEU 4 HG LEU 4 -16.530 29.955 18.707 27 1HD1 LEU 4 1HD1 LEU 4 -14.836 29.189 17.412 28 2HD1 LEU 4 2HD1 LEU 4 -15.998 29.549 16.112 29 3HD1 LEU 4 3HD1 LEU 4 -14.698 30.705 16.490 30 1HD2 LEU 4 1HD2 LEU 4 -15.552 32.694 17.874 31 2HD2 LEU 4 2HD2 LEU 4 -16.202 32.189 19.452 32 3HD2 LEU 4 3HD2 LEU 4 -14.620 31.584 18.906 33 H ARG 5 H ARG 5 -15.715 31.523 14.106 34 HA ARG 5 HA ARG 5 -17.503 30.132 12.360 35 1HB ARG 5 1HB ARG 5 -15.258 31.798 12.008 36 2HB ARG 5 2HB ARG 5 -14.659 30.215 11.557 37 1HG ARG 5 1HG ARG 5 -15.761 30.315 9.580 38 2HG ARG 5 2HG ARG 5 -17.291 30.525 10.408 39 1HD ARG 5 1HD ARG 5 -15.588 32.968 10.381 40 2HD ARG 5 2HD ARG 5 -16.094 32.434 8.791 41 HE ARG 5 HE ARG 5 -18.256 32.497 10.787 42 1HH1 ARG 5 1HH1 ARG 5 -16.536 34.285 8.291 43 2HH1 ARG 5 2HH1 ARG 5 -17.833 35.400 8.018 44 1HH2 ARG 5 1HH2 ARG 5 -19.967 33.969 10.426 45 2HH2 ARG 5 2HH2 ARG 5 -19.797 35.219 9.240 46 H THR 6 H THR 6 -15.909 28.273 11.044 47 HA THR 6 HA THR 6 -14.612 26.595 13.021 48 HB THR 6 HB THR 6 -16.149 24.675 12.476 49 HG1 THR 6 HG1 THR 6 -18.192 25.540 11.369 50 1HG2 THR 6 1HG2 THR 6 -18.141 25.443 13.689 51 2HG2 THR 6 2HG2 THR 6 -16.715 26.188 14.450 52 3HG2 THR 6 3HG2 THR 6 -17.738 27.143 13.350 53 H PHE 7 H PHE 7 -14.248 24.297 11.635 54 HA PHE 7 HA PHE 7 -13.421 25.035 8.955 55 1HB PHE 7 1HB PHE 7 -11.700 25.089 11.240 56 2HB PHE 7 2HB PHE 7 -11.344 23.557 10.468 57 HD1 PHE 7 HD1 PHE 7 -11.480 27.210 9.878 58 HD2 PHE 7 HD2 PHE 7 -10.028 23.464 8.513 59 HE1 PHE 7 HE1 PHE 7 -9.996 28.386 8.230 60 HE2 PHE 7 HE2 PHE 7 -8.544 24.640 6.864 61 HZ PHE 7 HZ PHE 7 -8.547 27.087 6.742 62 H PHE 8 H PHE 8 -12.047 22.871 8.133 63 HA PHE 8 HA PHE 8 -13.220 20.467 9.182 64 1HB PHE 8 1HB PHE 8 -14.315 21.994 6.918 65 2HB PHE 8 2HB PHE 8 -13.719 20.451 6.337 66 HD1 PHE 8 HD1 PHE 8 -14.369 18.516 8.297 67 HD2 PHE 8 HD2 PHE 8 -16.594 21.956 7.193 68 HE1 PHE 8 HE1 PHE 8 -16.477 17.405 9.085 69 HE2 PHE 8 HE2 PHE 8 -18.703 20.845 7.982 70 HZ PHE 8 HZ PHE 8 -18.618 18.583 8.918 71 H VAL 9 H VAL 9 -12.695 18.697 7.129 72 HA VAL 9 HA VAL 9 -10.014 19.283 6.171 73 HB VAL 9 HB VAL 9 -9.455 18.348 8.247 74 1HG1 VAL 9 1HG1 VAL 9 -11.112 17.337 9.376 75 2HG1 VAL 9 2HG1 VAL 9 -11.932 16.813 7.886 76 3HG1 VAL 9 3HG1 VAL 9 -10.590 15.851 8.549 77 1HG2 VAL 9 1HG2 VAL 9 -7.944 17.068 7.222 78 2HG2 VAL 9 2HG2 VAL 9 -9.119 15.730 7.222 79 3HG2 VAL 9 3HG2 VAL 9 -9.030 16.837 5.831 80 H ARG 10 H ARG 10 -10.997 15.950 6.388 81 HA ARG 10 HA ARG 10 -11.921 14.559 4.993 82 1HB ARG 10 1HB ARG 10 -13.600 16.524 4.537 83 2HB ARG 10 2HB ARG 10 -12.689 16.789 3.063 84 1HG ARG 10 1HG ARG 10 -13.263 14.653 2.170 85 2HG ARG 10 2HG ARG 10 -13.709 14.011 3.738 86 1HD ARG 10 1HD ARG 10 -15.415 16.240 3.397 87 2HD ARG 10 2HD ARG 10 -15.352 15.503 1.809 88 HE ARG 10 HE ARG 10 -15.760 13.594 4.012 89 1HH1 ARG 10 1HH1 ARG 10 -17.302 15.672 1.628 90 2HH1 ARG 10 2HH1 ARG 10 -18.802 14.807 1.656 91 1HH2 ARG 10 1HH2 ARG 10 -17.739 12.452 4.049 92 2HH2 ARG 10 2HH2 ARG 10 -19.053 12.963 3.042 93 H GLU 11 H GLU 11 -9.857 13.680 4.441 94 HA GLU 11 HA GLU 11 -9.091 14.191 1.747 95 1HB GLU 11 1HB GLU 11 -6.793 14.844 2.172 96 2HB GLU 11 2HB GLU 11 -7.842 15.962 3.021 97 1HG GLU 11 1HG GLU 11 -7.552 14.353 5.074 98 2HG GLU 11 2HG GLU 11 -6.201 13.682 4.182 99 H SER 12 H SER 12 -7.415 12.572 0.999 100 HA SER 12 HA SER 12 -6.712 10.496 2.768 101 1HB SER 12 1HB SER 12 -8.018 8.679 1.805 102 2HB SER 12 2HB SER 12 -9.115 9.919 2.379 103 HG SER 12 HG SER 12 -9.803 9.291 0.307 104 H ALA 13 H ALA 13 -6.369 8.418 0.787 105 HA ALA 13 HA ALA 13 -4.011 9.246 -0.416 106 1HB ALA 13 1HB ALA 13 -4.456 7.085 -1.805 107 2HB ALA 13 2HB ALA 13 -4.275 6.941 -0.040 108 3HB ALA 13 3HB ALA 13 -5.896 6.908 -0.774 109 H GLU 14 H GLU 14 -5.989 7.726 -2.812 110 HA GLU 14 HA GLU 14 -6.190 8.401 -4.923 111 1HB GLU 14 1HB GLU 14 -8.396 8.744 -3.709 112 2HB GLU 14 2HB GLU 14 -8.006 10.448 -3.577 113 1HG GLU 14 1HG GLU 14 -7.562 9.974 -6.281 114 2HG GLU 14 2HG GLU 14 -8.900 8.894 -5.945 115 H GLY 15 H GLY 15 -3.884 9.248 -5.003 116 1HA GLY 15 1HA GLY 15 -3.222 11.173 -6.489 117 2HA GLY 15 2HA GLY 15 -3.826 12.196 -5.201 118 H LEU 16 H LEU 16 -2.748 9.610 -3.486 119 HA LEU 16 HA LEU 16 -0.574 10.890 -2.397 120 1HB LEU 16 1HB LEU 16 0.023 8.513 -1.628 121 2HB LEU 16 2HB LEU 16 -1.479 9.242 -1.094 122 HG LEU 16 HG LEU 16 -2.779 7.907 -2.584 123 1HD1 LEU 16 1HD1 LEU 16 -1.646 6.220 -4.104 124 2HD1 LEU 16 2HD1 LEU 16 -1.549 7.927 -4.600 125 3HD1 LEU 16 3HD1 LEU 16 -0.143 7.138 -3.846 126 1HD2 LEU 16 1HD2 LEU 16 -0.634 6.227 -1.258 127 2HD2 LEU 16 2HD2 LEU 16 -2.162 6.787 -0.537 128 3HD2 LEU 16 3HD2 LEU 16 -2.187 5.609 -1.871 129 H THR 17 H THR 17 1.745 10.457 -2.529 130 HA THR 17 HA THR 17 2.530 10.051 -5.298 131 HB THR 17 HB THR 17 4.785 10.810 -4.208 132 HG1 THR 17 HG1 THR 17 4.581 10.978 -2.012 133 1HG2 THR 17 1HG2 THR 17 2.246 12.497 -4.221 134 2HG2 THR 17 2HG2 THR 17 3.799 13.182 -3.686 135 3HG2 THR 17 3HG2 THR 17 3.622 12.570 -5.348 136 H GLN 18 H GLN 18 4.363 8.668 -5.882 137 HA GLN 18 HA GLN 18 3.924 6.092 -5.111 138 1HB GLN 18 1HB GLN 18 5.831 7.548 -6.769 139 2HB GLN 18 2HB GLN 18 6.637 6.227 -5.945 140 1HG GLN 18 1HG GLN 18 5.788 4.856 -7.545 141 2HG GLN 18 2HG GLN 18 4.226 5.064 -6.777 142 1HE2 GLN 18 1HE2 GLN 18 6.387 6.189 -9.295 143 2HE2 GLN 18 2HE2 GLN 18 5.209 6.969 -10.298 144 H GLY 19 H GLY 19 6.055 8.577 -3.697 145 1HA GLY 19 1HA GLY 19 7.572 6.791 -2.068 146 2HA GLY 19 2HA GLY 19 7.467 8.535 -1.934 147 H GLU 20 H GLU 20 4.516 8.653 -1.708 148 HA GLU 20 HA GLU 20 4.369 8.336 1.063 149 1HB GLU 20 1HB GLU 20 2.483 9.146 -1.134 150 2HB GLU 20 2HB GLU 20 1.779 8.708 0.410 151 1HG GLU 20 1HG GLU 20 3.684 10.321 1.379 152 2HG GLU 20 2HG GLU 20 3.653 10.988 -0.242 153 H LEU 21 H LEU 21 3.195 6.408 -1.735 154 HA LEU 21 HA LEU 21 1.558 4.667 -0.309 155 1HB LEU 21 1HB LEU 21 2.083 5.099 -2.896 156 2HB LEU 21 2HB LEU 21 3.081 3.677 -2.661 157 HG LEU 21 HG LEU 21 1.090 2.773 -3.401 158 1HD1 LEU 21 1HD1 LEU 21 0.995 2.768 -0.380 159 2HD1 LEU 21 2HD1 LEU 21 -0.081 1.776 -1.394 160 3HD1 LEU 21 3HD1 LEU 21 1.682 1.539 -1.469 161 1HD2 LEU 21 1HD2 LEU 21 -0.048 5.142 -2.964 162 2HD2 LEU 21 2HD2 LEU 21 -0.996 3.662 -3.246 163 3HD2 LEU 21 3HD2 LEU 21 -0.748 4.257 -1.587 164 H MET 22 H MET 22 5.096 4.666 -0.954 165 HA MET 22 HA MET 22 5.648 2.140 -0.084 166 1HB MET 22 1HB MET 22 7.328 3.595 -1.143 167 2HB MET 22 2HB MET 22 7.206 4.769 0.153 168 1HG MET 22 1HG MET 22 8.370 3.392 1.695 169 2HG MET 22 2HG MET 22 8.007 1.921 0.815 170 1HE MET 22 1HE MET 22 9.647 0.985 -1.231 171 2HE MET 22 2HE MET 22 8.476 2.149 -1.895 172 3HE MET 22 3HE MET 22 10.190 2.243 -2.367 173 H LYS 23 H LYS 23 5.820 5.207 1.875 174 HA LYS 23 HA LYS 23 6.333 3.930 4.291 175 1HB LYS 23 1HB LYS 23 6.149 6.536 3.372 176 2HB LYS 23 2HB LYS 23 4.805 6.428 4.491 177 1HG LYS 23 1HG LYS 23 6.395 6.860 6.083 178 2HG LYS 23 2HG LYS 23 6.734 5.146 5.958 179 1HD LYS 23 1HD LYS 23 8.752 5.490 4.931 180 2HD LYS 23 2HD LYS 23 8.114 6.738 3.879 181 1HE LYS 23 1HE LYS 23 8.108 8.295 5.940 182 2HE LYS 23 2HE LYS 23 9.024 7.056 6.773 183 1HZ LYS 23 1HZ LYS 23 10.368 7.297 4.488 184 2HZ LYS 23 2HZ LYS 23 9.863 8.835 4.703 185 3HZ LYS 23 3HZ LYS 23 10.745 8.096 5.862 186 H LEU 24 H LEU 24 3.304 4.580 2.516 187 HA LEU 24 HA LEU 24 1.588 4.004 4.674 188 1HB LEU 24 1HB LEU 24 1.192 3.964 1.681 189 2HB LEU 24 2HB LEU 24 -0.100 3.713 2.839 190 HG LEU 24 HG LEU 24 1.574 6.197 3.035 191 1HD1 LEU 24 1HD1 LEU 24 -0.696 6.867 1.510 192 2HD1 LEU 24 2HD1 LEU 24 1.013 6.923 1.016 193 3HD1 LEU 24 3HD1 LEU 24 0.045 5.462 0.708 194 1HD2 LEU 24 1HD2 LEU 24 -0.740 5.156 4.326 195 2HD2 LEU 24 2HD2 LEU 24 0.098 6.701 4.608 196 3HD2 LEU 24 3HD2 LEU 24 -1.222 6.608 3.417 197 H ILE 25 H ILE 25 3.114 2.027 2.083 198 HA ILE 25 HA ILE 25 1.699 -0.325 2.739 199 HB ILE 25 HB ILE 25 3.993 0.448 1.030 200 1HG1 ILE 25 1HG1 ILE 25 1.506 -1.232 0.595 201 2HG1 ILE 25 2HG1 ILE 25 1.687 0.464 0.193 202 1HG2 ILE 25 1HG2 ILE 25 3.711 -2.241 2.288 203 2HG2 ILE 25 2HG2 ILE 25 4.135 -2.164 0.561 204 3HG2 ILE 25 3HG2 ILE 25 5.167 -1.359 1.767 205 1HD1 ILE 25 1HD1 ILE 25 3.801 -0.367 -1.181 206 2HD1 ILE 25 2HD1 ILE 25 2.976 -1.942 -1.103 207 3HD1 ILE 25 3HD1 ILE 25 2.167 -0.550 -1.864 208 H LYS 26 H LYS 26 4.907 1.033 3.692 209 HA LYS 26 HA LYS 26 5.676 -1.196 5.209 210 1HB LYS 26 1HB LYS 26 7.220 0.528 4.347 211 2HB LYS 26 2HB LYS 26 6.527 1.706 5.443 212 1HG LYS 26 1HG LYS 26 7.466 -0.879 6.657 213 2HG LYS 26 2HG LYS 26 8.706 0.215 6.077 214 1HD LYS 26 1HD LYS 26 6.483 1.364 7.764 215 2HD LYS 26 2HD LYS 26 7.712 0.408 8.567 216 1HE LYS 26 1HE LYS 26 8.471 2.660 6.667 217 2HE LYS 26 2HE LYS 26 8.105 2.983 8.349 218 1HZ LYS 26 1HZ LYS 26 10.211 2.460 8.690 219 2HZ LYS 26 2HZ LYS 26 9.800 0.896 8.462 220 3HZ LYS 26 3HZ LYS 26 10.407 1.770 7.223 221 H GLU 27 H GLU 27 3.598 1.622 5.856 222 HA GLU 27 HA GLU 27 3.621 1.543 8.590 223 1HB GLU 27 1HB GLU 27 2.519 3.391 7.674 224 2HB GLU 27 2HB GLU 27 1.633 2.429 6.508 225 1HG GLU 27 1HG GLU 27 -0.060 1.918 7.996 226 2HG GLU 27 2HG GLU 27 1.027 1.813 9.367 227 H ILE 28 H ILE 28 1.747 -0.410 6.218 228 HA ILE 28 HA ILE 28 0.120 -1.655 8.162 229 HB ILE 28 HB ILE 28 0.755 -2.048 5.277 230 1HG1 ILE 28 1HG1 ILE 28 -1.973 -2.161 5.656 231 2HG1 ILE 28 2HG1 ILE 28 -1.470 -1.088 6.946 232 1HG2 ILE 28 1HG2 ILE 28 0.838 -4.321 6.042 233 2HG2 ILE 28 2HG2 ILE 28 -0.639 -4.103 7.011 234 3HG2 ILE 28 3HG2 ILE 28 -0.725 -4.052 5.233 235 1HD1 ILE 28 1HD1 ILE 28 -1.265 0.587 5.442 236 2HD1 ILE 28 2HD1 ILE 28 0.030 -0.325 4.631 237 3HD1 ILE 28 3HD1 ILE 28 -1.661 -0.533 4.116 238 H VAL 29 H VAL 29 3.290 -2.420 6.645 239 HA VAL 29 HA VAL 29 3.434 -4.916 8.082 240 HB VAL 29 HB VAL 29 5.783 -3.728 6.703 241 1HG1 VAL 29 1HG1 VAL 29 4.539 -6.434 7.086 242 2HG1 VAL 29 2HG1 VAL 29 5.637 -6.163 5.711 243 3HG1 VAL 29 3HG1 VAL 29 6.212 -5.897 7.374 244 1HG2 VAL 29 1HG2 VAL 29 4.482 -3.059 4.964 245 2HG2 VAL 29 2HG2 VAL 29 4.559 -4.787 4.546 246 3HG2 VAL 29 3HG2 VAL 29 3.140 -4.142 5.404 247 H GLU 30 H GLU 30 3.458 -1.873 9.167 248 HA GLU 30 HA GLU 30 5.878 -1.483 10.382 249 1HB GLU 30 1HB GLU 30 4.183 0.261 10.299 250 2HB GLU 30 2HB GLU 30 3.066 -0.698 11.250 251 1HG GLU 30 1HG GLU 30 4.044 -0.096 13.225 252 2HG GLU 30 2HG GLU 30 5.663 -0.358 12.607 253 H ASN 31 H ASN 31 3.229 -3.694 11.182 254 HA ASN 31 HA ASN 31 4.921 -4.934 13.108 255 1HB ASN 31 1HB ASN 31 3.348 -4.803 14.994 256 2HB ASN 31 2HB ASN 31 3.723 -3.173 14.470 257 1HD2 ASN 31 1HD2 ASN 31 2.249 -2.202 12.848 258 2HD2 ASN 31 2HD2 ASN 31 0.547 -2.494 12.990 259 H GLU 32 H GLU 32 4.033 -5.843 10.612 260 HA GLU 32 HA GLU 32 1.633 -6.960 10.318 261 1HB GLU 32 1HB GLU 32 3.101 -8.921 9.188 262 2HB GLU 32 2HB GLU 32 2.939 -7.333 8.463 263 1HG GLU 32 1HG GLU 32 5.108 -6.710 8.986 264 2HG GLU 32 2HG GLU 32 5.121 -7.603 10.494 265 H ASP 33 H ASP 33 0.799 -9.217 10.596 266 HA ASP 33 HA ASP 33 1.365 -10.063 13.261 267 1HB ASP 33 1HB ASP 33 -0.878 -10.083 11.604 268 2HB ASP 33 2HB ASP 33 -0.392 -11.767 11.579 269 H LYS 34 H LYS 34 1.780 -12.465 13.722 270 HA LYS 34 HA LYS 34 3.943 -13.393 12.197 271 1HB LYS 34 1HB LYS 34 2.778 -13.925 14.702 272 2HB LYS 34 2HB LYS 34 2.702 -15.444 13.833 273 1HG LYS 34 1HG LYS 34 5.253 -14.548 13.182 274 2HG LYS 34 2HG LYS 34 5.072 -13.949 14.819 275 1HD LYS 34 1HD LYS 34 4.192 -16.778 14.325 276 2HD LYS 34 2HD LYS 34 5.916 -16.474 14.250 277 1HE LYS 34 1HE LYS 34 5.697 -15.288 16.523 278 2HE LYS 34 2HE LYS 34 4.053 -15.891 16.596 279 1HZ LYS 34 1HZ LYS 34 5.860 -17.283 17.630 280 2HZ LYS 34 2HZ LYS 34 4.803 -18.065 16.660 281 3HZ LYS 34 3HZ LYS 34 6.299 -17.702 16.114 282 H ARG 35 H ARG 35 0.796 -15.117 12.764 283 HA ARG 35 HA ARG 35 1.210 -16.627 10.427 284 1HB ARG 35 1HB ARG 35 -0.141 -17.200 12.622 285 2HB ARG 35 2HB ARG 35 -1.465 -16.349 11.852 286 1HG ARG 35 1HG ARG 35 -1.857 -18.046 10.370 287 2HG ARG 35 2HG ARG 35 -0.152 -18.271 10.031 288 1HD ARG 35 1HD ARG 35 -0.130 -20.120 11.347 289 2HD ARG 35 2HD ARG 35 -0.575 -19.146 12.734 290 HE ARG 35 HE ARG 35 -2.994 -19.464 11.476 291 1HH1 ARG 35 1HH1 ARG 35 -0.489 -21.755 12.405 292 2HH1 ARG 35 2HH1 ARG 35 -1.595 -23.068 12.631 293 1HH2 ARG 35 1HH2 ARG 35 -4.454 -21.197 11.774 294 2HH2 ARG 35 2HH2 ARG 35 -3.865 -22.749 12.269 295 H LYS 36 H LYS 36 0.260 -13.433 10.894 296 HA LYS 36 HA LYS 36 -1.130 -13.426 8.320 297 1HB LYS 36 1HB LYS 36 -2.638 -13.240 10.478 298 2HB LYS 36 2HB LYS 36 -2.062 -11.586 10.500 299 1HG LYS 36 1HG LYS 36 -2.925 -11.159 8.269 300 2HG LYS 36 2HG LYS 36 -3.243 -12.861 7.995 301 1HD LYS 36 1HD LYS 36 -5.378 -11.995 8.542 302 2HD LYS 36 2HD LYS 36 -4.843 -12.718 10.047 303 1HE LYS 36 1HE LYS 36 -5.691 -10.553 10.643 304 2HE LYS 36 2HE LYS 36 -3.947 -10.407 10.721 305 1HZ LYS 36 1HZ LYS 36 -4.179 -9.652 8.312 306 2HZ LYS 36 2HZ LYS 36 -5.753 -9.402 8.664 307 3HZ LYS 36 3HZ LYS 36 -4.594 -8.602 9.491 308 HA PRO 37 HA PRO 37 2.301 -10.541 8.318 309 1HB PRO 37 1HB PRO 37 3.286 -11.207 5.858 310 2HB PRO 37 2HB PRO 37 3.857 -11.932 7.347 311 1HG PRO 37 1HG PRO 37 2.090 -13.091 5.280 312 2HG PRO 37 2HG PRO 37 3.002 -13.913 6.531 313 1HD PRO 37 1HD PRO 37 0.182 -13.390 6.527 314 2HD PRO 37 2HD PRO 37 1.113 -14.107 7.827 315 H TYR 38 H TYR 38 3.046 -9.374 5.845 316 HA TYR 38 HA TYR 38 0.554 -8.391 4.754 317 1HB TYR 38 1HB TYR 38 2.609 -6.822 6.414 318 2HB TYR 38 2HB TYR 38 1.574 -5.993 5.268 319 HD1 TYR 38 HD1 TYR 38 1.811 -5.793 8.414 320 HD2 TYR 38 HD2 TYR 38 -0.937 -7.715 5.758 321 HE1 TYR 38 HE1 TYR 38 -0.015 -5.631 10.175 322 HE2 TYR 38 HE2 TYR 38 -2.755 -7.547 7.528 323 HH TYR 38 HH TYR 38 -3.310 -6.738 9.462 324 H SER 39 H SER 39 1.999 -9.852 3.181 325 HA SER 39 HA SER 39 4.238 -8.516 2.095 326 1HB SER 39 1HB SER 39 4.244 -10.893 1.926 327 2HB SER 39 2HB SER 39 2.606 -10.947 1.305 328 HG SER 39 HG SER 39 4.987 -10.693 -0.068 329 H ASP 40 H ASP 40 3.965 -8.685 -0.680 330 HA ASP 40 HA ASP 40 2.653 -6.348 -1.253 331 1HB ASP 40 1HB ASP 40 2.755 -7.398 -3.702 332 2HB ASP 40 2HB ASP 40 4.220 -6.908 -2.874 333 H GLN 41 H GLN 41 1.613 -9.768 -1.243 334 HA GLN 41 HA GLN 41 -0.680 -9.437 -2.789 335 1HB GLN 41 1HB GLN 41 -0.392 -11.679 -2.615 336 2HB GLN 41 2HB GLN 41 0.566 -11.524 -1.156 337 1HG GLN 41 1HG GLN 41 -1.482 -12.800 -0.672 338 2HG GLN 41 2HG GLN 41 -1.512 -11.280 0.200 339 1HE2 GLN 41 1HE2 GLN 41 -3.835 -11.982 0.209 340 2HE2 GLN 41 2HE2 GLN 41 -4.864 -11.400 -1.057 341 H GLU 42 H GLU 42 -0.189 -9.552 0.811 342 HA GLU 42 HA GLU 42 -2.845 -9.106 1.429 343 1HB GLU 42 1HB GLU 42 -0.598 -9.700 2.855 344 2HB GLU 42 2HB GLU 42 -0.764 -8.007 3.277 345 1HG GLU 42 1HG GLU 42 -3.216 -9.771 3.397 346 2HG GLU 42 2HG GLU 42 -2.026 -9.906 4.676 347 H ILE 43 H ILE 43 -0.106 -6.723 1.750 348 HA ILE 43 HA ILE 43 -1.531 -4.490 2.210 349 HB ILE 43 HB ILE 43 1.077 -5.158 1.138 350 1HG1 ILE 43 1HG1 ILE 43 0.708 -2.595 2.527 351 2HG1 ILE 43 2HG1 ILE 43 0.006 -3.953 3.383 352 1HG2 ILE 43 1HG2 ILE 43 1.607 -3.131 -0.006 353 2HG2 ILE 43 2HG2 ILE 43 0.174 -3.838 -0.793 354 3HG2 ILE 43 3HG2 ILE 43 -0.009 -2.456 0.314 355 1HD1 ILE 43 1HD1 ILE 43 2.757 -4.327 2.218 356 2HD1 ILE 43 2HD1 ILE 43 2.593 -3.307 3.668 357 3HD1 ILE 43 3HD1 ILE 43 2.056 -5.004 3.707 358 H ALA 44 H ALA 44 -0.871 -5.964 -1.029 359 HA ALA 44 HA ALA 44 -2.089 -4.019 -2.560 360 1HB ALA 44 1HB ALA 44 -2.417 -5.962 -4.180 361 2HB ALA 44 2HB ALA 44 -0.757 -5.727 -3.582 362 3HB ALA 44 3HB ALA 44 -1.773 -7.021 -2.903 363 H ASN 45 H ASN 45 -3.484 -6.879 -0.852 364 HA ASN 45 HA ASN 45 -6.039 -6.542 -1.892 365 1HB ASN 45 1HB ASN 45 -4.808 -7.993 0.451 366 2HB ASN 45 2HB ASN 45 -6.548 -7.783 0.476 367 1HD2 ASN 45 1HD2 ASN 45 -3.853 -8.865 -1.554 368 2HD2 ASN 45 2HD2 ASN 45 -4.701 -10.103 -2.418 369 H ILE 46 H ILE 46 -4.247 -5.194 0.903 370 HA ILE 46 HA ILE 46 -6.461 -4.152 2.281 371 HB ILE 46 HB ILE 46 -3.507 -3.749 2.304 372 1HG1 ILE 46 1HG1 ILE 46 -5.534 -4.535 4.420 373 2HG1 ILE 46 2HG1 ILE 46 -4.534 -5.640 3.498 374 1HG2 ILE 46 1HG2 ILE 46 -5.435 -1.997 3.852 375 2HG2 ILE 46 2HG2 ILE 46 -3.662 -2.017 4.000 376 3HG2 ILE 46 3HG2 ILE 46 -4.422 -1.472 2.486 377 1HD1 ILE 46 1HD1 ILE 46 -2.480 -4.558 4.421 378 2HD1 ILE 46 2HD1 ILE 46 -3.506 -3.460 5.374 379 3HD1 ILE 46 3HD1 ILE 46 -3.523 -5.208 5.708 380 H LEU 47 H LEU 47 -4.193 -2.735 -0.161 381 HA LEU 47 HA LEU 47 -5.285 -0.188 -0.153 382 1HB LEU 47 1HB LEU 47 -3.889 -1.763 -2.317 383 2HB LEU 47 2HB LEU 47 -4.294 -0.064 -2.459 384 HG LEU 47 HG LEU 47 -2.466 0.545 -1.354 385 1HD1 LEU 47 1HD1 LEU 47 -3.687 0.145 0.753 386 2HD1 LEU 47 2HD1 LEU 47 -3.051 -1.518 0.787 387 3HD1 LEU 47 3HD1 LEU 47 -1.936 -0.136 0.908 388 1HD2 LEU 47 1HD2 LEU 47 -1.767 -1.669 -2.589 389 2HD2 LEU 47 2HD2 LEU 47 -0.639 -0.837 -1.492 390 3HD2 LEU 47 3HD2 LEU 47 -1.534 -2.269 -0.929 391 H LYS 48 H LYS 48 -6.469 -3.235 -1.478 392 HA LYS 48 HA LYS 48 -8.157 -2.260 -3.445 393 1HB LYS 48 1HB LYS 48 -7.525 -4.728 -2.330 394 2HB LYS 48 2HB LYS 48 -9.228 -4.543 -1.960 395 1HG LYS 48 1HG LYS 48 -9.682 -5.160 -4.095 396 2HG LYS 48 2HG LYS 48 -9.013 -3.628 -4.619 397 1HD LYS 48 1HD LYS 48 -6.869 -4.564 -5.062 398 2HD LYS 48 2HD LYS 48 -7.163 -5.964 -4.049 399 1HE LYS 48 1HE LYS 48 -7.939 -7.123 -5.837 400 2HE LYS 48 2HE LYS 48 -9.206 -5.936 -6.079 401 1HZ LYS 48 1HZ LYS 48 -7.341 -6.349 -7.840 402 2HZ LYS 48 2HZ LYS 48 -7.999 -4.868 -7.633 403 3HZ LYS 48 3HZ LYS 48 -6.550 -5.218 -6.967 404 H GLU 49 H GLU 49 -8.254 -1.904 0.021 405 HA GLU 49 HA GLU 49 -11.007 -1.668 0.324 406 1HB GLU 49 1HB GLU 49 -8.691 -0.481 1.910 407 2HB GLU 49 2HB GLU 49 -10.362 -0.384 2.430 408 1HG GLU 49 1HG GLU 49 -9.891 -3.122 1.728 409 2HG GLU 49 2HG GLU 49 -8.508 -2.609 2.675 410 H LYS 50 H LYS 50 -9.076 0.094 -1.692 411 HA LYS 50 HA LYS 50 -9.379 1.978 -2.807 412 1HB LYS 50 1HB LYS 50 -11.739 1.459 -2.905 413 2HB LYS 50 2HB LYS 50 -12.003 2.103 -1.297 414 1HG LYS 50 1HG LYS 50 -12.352 4.153 -2.195 415 2HG LYS 50 2HG LYS 50 -10.689 4.177 -2.749 416 1HD LYS 50 1HD LYS 50 -12.451 2.508 -4.449 417 2HD LYS 50 2HD LYS 50 -12.949 4.187 -4.389 418 1HE LYS 50 1HE LYS 50 -10.407 4.725 -4.822 419 2HE LYS 50 2HE LYS 50 -10.288 3.048 -5.316 420 1HZ LYS 50 1HZ LYS 50 -11.279 3.537 -7.207 421 2HZ LYS 50 2HZ LYS 50 -12.535 4.284 -6.480 422 3HZ LYS 50 3HZ LYS 50 -11.178 5.123 -6.831 423 H GLY 51 H GLY 51 -7.591 1.983 -0.738 424 1HA GLY 51 1HA GLY 51 -8.039 4.625 0.521 425 2HA GLY 51 2HA GLY 51 -7.219 3.294 1.312 426 H PHE 52 H PHE 52 -6.436 3.046 -1.953 427 HA PHE 52 HA PHE 52 -4.439 5.083 -2.064 428 1HB PHE 52 1HB PHE 52 -3.626 2.122 -1.914 429 2HB PHE 52 2HB PHE 52 -2.533 3.490 -1.989 430 HD1 PHE 52 HD1 PHE 52 -4.970 1.741 0.168 431 HD2 PHE 52 HD2 PHE 52 -1.880 4.644 -0.022 432 HE1 PHE 52 HE1 PHE 52 -4.871 1.800 2.675 433 HE2 PHE 52 HE2 PHE 52 -1.782 4.703 2.485 434 HZ PHE 52 HZ PHE 52 -3.278 3.280 3.804 435 H LYS 53 H LYS 53 -5.304 1.758 -3.259 436 HA LYS 53 HA LYS 53 -5.943 1.142 -5.313 437 1HB LYS 53 1HB LYS 53 -6.611 3.690 -5.527 438 2HB LYS 53 2HB LYS 53 -5.211 3.762 -6.578 439 1HG LYS 53 1HG LYS 53 -6.755 1.383 -7.219 440 2HG LYS 53 2HG LYS 53 -7.825 2.771 -7.204 441 1HD LYS 53 1HD LYS 53 -5.164 2.743 -8.698 442 2HD LYS 53 2HD LYS 53 -6.681 2.281 -9.444 443 1HE LYS 53 1HE LYS 53 -6.618 4.919 -7.995 444 2HE LYS 53 2HE LYS 53 -5.747 4.823 -9.512 445 1HZ LYS 53 1HZ LYS 53 -8.342 3.646 -9.613 446 2HZ LYS 53 2HZ LYS 53 -8.373 5.244 -9.279 447 3HZ LYS 53 3HZ LYS 53 -7.640 4.707 -10.636 448 H VAL 54 H VAL 54 -4.178 -0.332 -5.124 449 HA VAL 54 HA VAL 54 -1.866 0.496 -6.737 450 HB VAL 54 HB VAL 54 -1.621 -1.522 -4.544 451 1HG1 VAL 54 1HG1 VAL 54 0.175 -0.996 -6.288 452 2HG1 VAL 54 2HG1 VAL 54 0.364 0.570 -5.462 453 3HG1 VAL 54 3HG1 VAL 54 0.672 -0.945 -4.579 454 1HG2 VAL 54 1HG2 VAL 54 -0.909 0.367 -3.014 455 2HG2 VAL 54 2HG2 VAL 54 -1.681 1.485 -4.164 456 3HG2 VAL 54 3HG2 VAL 54 -2.656 0.251 -3.331 457 H ALA 55 H ALA 55 -0.973 -2.453 -6.139 458 HA ALA 55 HA ALA 55 -2.816 -4.222 -7.152 459 1HB ALA 55 1HB ALA 55 -1.150 -3.875 -9.505 460 2HB ALA 55 2HB ALA 55 -2.925 -3.903 -9.374 461 3HB ALA 55 3HB ALA 55 -2.039 -2.376 -9.146 462 H ARG 56 H ARG 56 -1.968 -6.262 -6.880 463 HA ARG 56 HA ARG 56 0.140 -6.785 -5.478 464 1HB ARG 56 1HB ARG 56 -1.316 -8.264 -7.578 465 2HB ARG 56 2HB ARG 56 0.327 -8.845 -7.397 466 1HG ARG 56 1HG ARG 56 -0.299 -8.704 -4.776 467 2HG ARG 56 2HG ARG 56 -1.929 -8.867 -5.398 468 1HD ARG 56 1HD ARG 56 -1.353 -11.119 -5.150 469 2HD ARG 56 2HD ARG 56 -0.886 -10.864 -6.819 470 HE ARG 56 HE ARG 56 1.346 -10.186 -5.175 471 1HH1 ARG 56 1HH1 ARG 56 -0.519 -13.018 -6.114 472 2HH1 ARG 56 2HH1 ARG 56 0.804 -14.117 -5.908 473 1HH2 ARG 56 1HH2 ARG 56 3.093 -11.635 -4.902 474 2HH2 ARG 56 2HH2 ARG 56 2.872 -13.324 -5.214 475 H ARG 57 H ARG 57 0.214 -6.096 -9.009 476 HA ARG 57 HA ARG 57 2.832 -6.792 -9.457 477 1HB ARG 57 1HB ARG 57 0.886 -6.029 -11.088 478 2HB ARG 57 2HB ARG 57 1.532 -4.418 -10.842 479 1HG ARG 57 1HG ARG 57 3.493 -6.600 -11.524 480 2HG ARG 57 2HG ARG 57 2.430 -6.048 -12.804 481 1HD ARG 57 1HD ARG 57 3.469 -3.734 -11.383 482 2HD ARG 57 2HD ARG 57 4.807 -4.775 -11.826 483 HE ARG 57 HE ARG 57 3.025 -4.530 -14.068 484 1HH1 ARG 57 1HH1 ARG 57 5.386 -2.666 -12.244 485 2HH1 ARG 57 2HH1 ARG 57 5.806 -1.649 -13.581 486 1HH2 ARG 57 1HH2 ARG 57 3.578 -3.188 -15.833 487 2HH2 ARG 57 2HH2 ARG 57 4.771 -1.948 -15.637 488 H THR 58 H THR 58 1.425 -3.472 -8.897 489 HA THR 58 HA THR 58 3.907 -2.187 -8.680 490 HB THR 58 HB THR 58 1.008 -1.622 -8.137 491 HG1 THR 58 HG1 THR 58 1.759 0.187 -9.507 492 1HG2 THR 58 1HG2 THR 58 2.277 -0.725 -6.078 493 2HG2 THR 58 2HG2 THR 58 3.220 0.275 -7.209 494 3HG2 THR 58 3HG2 THR 58 1.461 0.511 -7.065 495 H VAL 59 H VAL 59 1.770 -3.707 -6.215 496 HA VAL 59 HA VAL 59 3.233 -2.823 -4.006 497 HB VAL 59 HB VAL 59 1.768 -5.445 -4.149 498 1HG1 VAL 59 1HG1 VAL 59 1.260 -5.070 -1.879 499 2HG1 VAL 59 2HG1 VAL 59 2.959 -4.569 -2.048 500 3HG1 VAL 59 3HG1 VAL 59 1.672 -3.341 -1.979 501 1HG2 VAL 59 1HG2 VAL 59 0.716 -2.849 -4.893 502 2HG2 VAL 59 2HG2 VAL 59 -0.070 -4.446 -4.929 503 3HG2 VAL 59 3HG2 VAL 59 -0.105 -3.471 -3.441 504 H ALA 60 H ALA 60 3.587 -5.641 -6.205 505 HA ALA 60 HA ALA 60 5.424 -7.084 -4.735 506 1HB ALA 60 1HB ALA 60 4.456 -6.907 -7.498 507 2HB ALA 60 2HB ALA 60 6.163 -7.403 -7.407 508 3HB ALA 60 3HB ALA 60 4.917 -8.336 -6.543 509 H LYS 61 H LYS 61 5.868 -4.268 -6.942 510 HA LYS 61 HA LYS 61 8.671 -4.337 -6.902 511 1HB LYS 61 1HB LYS 61 6.713 -2.089 -7.448 512 2HB LYS 61 2HB LYS 61 8.443 -1.966 -7.699 513 1HG LYS 61 1HG LYS 61 6.885 -4.258 -8.940 514 2HG LYS 61 2HG LYS 61 6.894 -2.683 -9.710 515 1HD LYS 61 1HD LYS 61 8.818 -3.388 -10.716 516 2HD LYS 61 2HD LYS 61 9.588 -3.025 -9.184 517 1HE LYS 61 1HE LYS 61 8.559 -5.565 -8.709 518 2HE LYS 61 2HE LYS 61 8.973 -5.661 -10.409 519 1HZ LYS 61 1HZ LYS 61 10.783 -4.829 -8.249 520 2HZ LYS 61 2HZ LYS 61 10.838 -6.243 -9.064 521 3HZ LYS 61 3HZ LYS 61 11.177 -4.844 -9.834 522 H TYR 62 H TYR 62 6.212 -2.712 -4.828 523 HA TYR 62 HA TYR 62 8.046 -1.232 -3.313 524 1HB TYR 62 1HB TYR 62 5.220 -2.341 -3.130 525 2HB TYR 62 2HB TYR 62 5.913 -1.715 -1.647 526 HD1 TYR 62 HD1 TYR 62 7.479 0.608 -2.674 527 HD2 TYR 62 HD2 TYR 62 3.566 -0.782 -3.704 528 HE1 TYR 62 HE1 TYR 62 6.816 2.963 -3.366 529 HE2 TYR 62 HE2 TYR 62 2.917 1.577 -4.392 530 HH TYR 62 HH TYR 62 4.575 3.717 -5.265 531 H ARG 63 H ARG 63 6.847 -4.602 -3.081 532 HA ARG 63 HA ARG 63 7.562 -5.138 -0.522 533 1HB ARG 63 1HB ARG 63 6.338 -6.708 -2.032 534 2HB ARG 63 2HB ARG 63 7.798 -6.966 -2.967 535 1HG ARG 63 1HG ARG 63 8.381 -7.425 -0.156 536 2HG ARG 63 2HG ARG 63 6.961 -8.350 -0.602 537 1HD ARG 63 1HD ARG 63 8.190 -9.816 -1.843 538 2HD ARG 63 2HD ARG 63 9.008 -8.523 -2.697 539 HE ARG 63 HE ARG 63 10.173 -8.482 -0.171 540 1HH1 ARG 63 1HH1 ARG 63 9.731 -10.941 -2.649 541 2HH1 ARG 63 2HH1 ARG 63 11.161 -11.817 -2.217 542 1HH2 ARG 63 1HH2 ARG 63 12.061 -9.637 0.400 543 2HH2 ARG 63 2HH2 ARG 63 12.496 -11.070 -0.471 544 H GLU 64 H GLU 64 9.569 -5.138 -3.522 545 HA GLU 64 HA GLU 64 11.847 -6.167 -2.237 546 1HB GLU 64 1HB GLU 64 11.215 -6.086 -4.781 547 2HB GLU 64 2HB GLU 64 11.911 -4.478 -4.757 548 1HG GLU 64 1HG GLU 64 14.037 -5.460 -3.791 549 2HG GLU 64 2HG GLU 64 13.334 -7.058 -3.946 550 H MET 65 H MET 65 10.598 -2.875 -2.961 551 HA MET 65 HA MET 65 12.948 -1.558 -2.202 552 1HB MET 65 1HB MET 65 10.015 -0.656 -2.292 553 2HB MET 65 2HB MET 65 11.361 0.448 -2.091 554 1HG MET 65 1HG MET 65 12.316 -0.458 -4.291 555 2HG MET 65 2HG MET 65 10.820 -1.345 -4.504 556 1HE MET 65 1HE MET 65 8.716 0.866 -6.302 557 2HE MET 65 2HE MET 65 9.225 -0.740 -5.727 558 3HE MET 65 3HE MET 65 8.208 0.294 -4.695 559 H LEU 66 H LEU 66 10.328 -3.043 -0.409 560 HA LEU 66 HA LEU 66 11.625 -2.290 2.053 561 1HB LEU 66 1HB LEU 66 9.749 -1.292 3.094 562 2HB LEU 66 2HB LEU 66 10.079 -0.419 1.611 563 HG LEU 66 HG LEU 66 8.135 -2.517 1.134 564 1HD1 LEU 66 1HD1 LEU 66 6.659 -2.343 2.787 565 2HD1 LEU 66 2HD1 LEU 66 7.913 -1.483 3.712 566 3HD1 LEU 66 3HD1 LEU 66 6.724 -0.564 2.757 567 1HD2 LEU 66 1HD2 LEU 66 7.045 0.113 0.889 568 2HD2 LEU 66 2HD2 LEU 66 8.727 0.135 0.304 569 3HD2 LEU 66 3HD2 LEU 66 7.558 -1.015 -0.389 570 H GLY 67 H GLY 67 12.010 -4.687 1.404 571 1HA GLY 67 1HA GLY 67 9.738 -6.303 2.397 572 2HA GLY 67 2HA GLY 67 10.889 -6.840 1.189 Start of MODEL 10 1 1H THR 1 1H THR 1 9.753 0.106 25.009 2 HA THR 1 HA THR 1 10.378 1.139 23.139 3 HB THR 1 HB THR 1 7.742 -0.049 22.136 4 HG1 THR 1 HG1 THR 1 9.173 -1.711 21.674 5 1HG2 THR 1 1HG2 THR 1 9.381 0.243 19.935 6 2HG2 THR 1 2HG2 THR 1 8.057 1.365 20.332 7 3HG2 THR 1 3HG2 THR 1 9.727 1.753 20.812 8 H TYR 2 H TYR 2 10.258 3.188 22.129 9 HA TYR 2 HA TYR 2 8.258 4.899 23.413 10 1HB TYR 2 1HB TYR 2 9.972 6.657 22.729 11 2HB TYR 2 2HB TYR 2 10.683 5.409 23.733 12 HD1 TYR 2 HD1 TYR 2 10.503 6.803 20.331 13 HD2 TYR 2 HD2 TYR 2 12.291 3.817 22.818 14 HE1 TYR 2 HE1 TYR 2 12.257 6.356 18.546 15 HE2 TYR 2 HE2 TYR 2 14.039 3.380 21.025 16 HH TYR 2 HH TYR 2 14.076 5.301 18.038 17 H SER 3 H SER 3 7.845 6.994 21.942 18 HA SER 3 HA SER 3 6.915 7.841 20.172 19 1HB SER 3 1HB SER 3 8.933 6.084 19.045 20 2HB SER 3 2HB SER 3 7.530 6.094 17.996 21 HG SER 3 HG SER 3 7.777 8.240 17.580 22 H LEU 4 H LEU 4 4.842 7.177 21.143 23 HA LEU 4 HA LEU 4 3.280 5.660 19.335 24 1HB LEU 4 1HB LEU 4 2.645 3.833 20.748 25 2HB LEU 4 2HB LEU 4 4.374 3.799 20.460 26 HG LEU 4 HG LEU 4 4.005 5.252 22.864 27 1HD1 LEU 4 1HD1 LEU 4 2.105 2.961 22.571 28 2HD1 LEU 4 2HD1 LEU 4 2.912 3.218 24.136 29 3HD1 LEU 4 3HD1 LEU 4 1.914 4.510 23.427 30 1HD2 LEU 4 1HD2 LEU 4 5.640 3.889 23.596 31 2HD2 LEU 4 2HD2 LEU 4 4.802 2.413 23.060 32 3HD2 LEU 4 3HD2 LEU 4 5.717 3.392 21.889 33 H ARG 5 H ARG 5 2.608 8.030 19.540 34 HA ARG 5 HA ARG 5 0.344 8.064 21.225 35 1HB ARG 5 1HB ARG 5 0.942 10.142 22.478 36 2HB ARG 5 2HB ARG 5 2.021 8.821 22.880 37 1HG ARG 5 1HG ARG 5 3.843 9.901 22.030 38 2HG ARG 5 2HG ARG 5 2.998 10.354 20.562 39 1HD ARG 5 1HD ARG 5 1.790 12.157 21.968 40 2HD ARG 5 2HD ARG 5 2.931 11.799 23.248 41 HE ARG 5 HE ARG 5 4.647 12.834 22.008 42 1HH1 ARG 5 1HH1 ARG 5 1.799 12.397 19.988 43 2HH1 ARG 5 2HH1 ARG 5 2.402 13.386 18.701 44 1HH2 ARG 5 1HH2 ARG 5 5.444 14.139 20.309 45 2HH2 ARG 5 2HH2 ARG 5 4.490 14.383 18.884 46 H THR 6 H THR 6 0.308 8.079 18.536 47 HA THR 6 HA THR 6 0.391 10.827 17.575 48 HB THR 6 HB THR 6 -0.202 8.162 16.182 49 HG1 THR 6 HG1 THR 6 2.137 9.930 16.307 50 1HG2 THR 6 1HG2 THR 6 0.238 9.343 14.117 51 2HG2 THR 6 2HG2 THR 6 -0.936 10.350 14.998 52 3HG2 THR 6 3HG2 THR 6 0.788 10.794 14.989 53 H PHE 7 H PHE 7 -1.401 11.910 16.624 54 HA PHE 7 HA PHE 7 -3.967 10.835 17.567 55 1HB PHE 7 1HB PHE 7 -4.562 13.235 17.946 56 2HB PHE 7 2HB PHE 7 -3.097 12.849 18.826 57 HD1 PHE 7 HD1 PHE 7 -4.580 14.940 16.320 58 HD2 PHE 7 HD2 PHE 7 -0.870 13.520 17.815 59 HE1 PHE 7 HE1 PHE 7 -3.394 16.834 15.178 60 HE2 PHE 7 HE2 PHE 7 0.315 15.415 16.673 61 HZ PHE 7 HZ PHE 7 -0.961 17.049 15.368 62 H PHE 8 H PHE 8 -5.118 10.144 15.823 63 HA PHE 8 HA PHE 8 -5.884 11.930 13.825 64 1HB PHE 8 1HB PHE 8 -4.535 11.197 11.974 65 2HB PHE 8 2HB PHE 8 -3.374 11.292 13.283 66 HD1 PHE 8 HD1 PHE 8 -2.778 9.151 14.518 67 HD2 PHE 8 HD2 PHE 8 -4.917 9.165 10.854 68 HE1 PHE 8 HE1 PHE 8 -2.166 6.745 14.151 69 HE2 PHE 8 HE2 PHE 8 -4.305 6.759 10.487 70 HZ PHE 8 HZ PHE 8 -2.937 5.577 12.140 71 H VAL 9 H VAL 9 -7.667 11.115 12.689 72 HA VAL 9 HA VAL 9 -8.133 8.250 12.803 73 HB VAL 9 HB VAL 9 -10.057 10.296 13.928 74 1HG1 VAL 9 1HG1 VAL 9 -10.484 7.663 12.839 75 2HG1 VAL 9 2HG1 VAL 9 -10.837 7.654 14.583 76 3HG1 VAL 9 3HG1 VAL 9 -11.666 8.809 13.513 77 1HG2 VAL 9 1HG2 VAL 9 -8.145 9.812 15.426 78 2HG2 VAL 9 2HG2 VAL 9 -9.690 9.220 16.083 79 3HG2 VAL 9 3HG2 VAL 9 -8.540 8.079 15.345 80 H ARG 10 H ARG 10 -7.341 9.302 10.528 81 HA ARG 10 HA ARG 10 -9.493 8.955 8.858 82 1HB ARG 10 1HB ARG 10 -9.296 11.655 9.857 83 2HB ARG 10 2HB ARG 10 -8.833 11.692 8.167 84 1HG ARG 10 1HG ARG 10 -10.934 10.482 7.558 85 2HG ARG 10 2HG ARG 10 -11.396 10.426 9.248 86 1HD ARG 10 1HD ARG 10 -10.721 13.134 8.123 87 2HD ARG 10 2HD ARG 10 -12.215 12.402 7.571 88 HE ARG 10 HE ARG 10 -12.240 12.070 10.354 89 1HH1 ARG 10 1HH1 ARG 10 -12.055 14.793 8.133 90 2HH1 ARG 10 2HH1 ARG 10 -12.835 15.895 9.218 91 1HH2 ARG 10 1HH2 ARG 10 -13.269 13.524 11.786 92 2HH2 ARG 10 2HH2 ARG 10 -13.529 15.169 11.310 93 H GLU 11 H GLU 11 -7.746 7.562 8.048 94 HA GLU 11 HA GLU 11 -5.289 8.602 7.272 95 1HB GLU 11 1HB GLU 11 -6.362 6.089 7.534 96 2HB GLU 11 2HB GLU 11 -6.322 6.230 5.788 97 1HG GLU 11 1HG GLU 11 -3.980 6.417 5.709 98 2HG GLU 11 2HG GLU 11 -3.868 7.070 7.331 99 H SER 12 H SER 12 -7.902 7.323 5.080 100 HA SER 12 HA SER 12 -8.581 7.939 3.114 101 1HB SER 12 1HB SER 12 -9.291 10.051 3.892 102 2HB SER 12 2HB SER 12 -7.656 10.613 4.176 103 HG SER 12 HG SER 12 -8.936 11.400 2.181 104 H ALA 13 H ALA 13 -7.826 8.610 0.844 105 HA ALA 13 HA ALA 13 -4.993 8.978 0.526 106 1HB ALA 13 1HB ALA 13 -6.338 6.326 0.156 107 2HB ALA 13 2HB ALA 13 -5.121 6.813 -1.048 108 3HB ALA 13 3HB ALA 13 -4.676 6.701 0.672 109 H GLU 14 H GLU 14 -6.816 7.231 -1.921 110 HA GLU 14 HA GLU 14 -7.093 7.906 -4.027 111 1HB GLU 14 1HB GLU 14 -9.301 8.051 -2.764 112 2HB GLU 14 2HB GLU 14 -9.061 9.783 -2.650 113 1HG GLU 14 1HG GLU 14 -8.622 9.333 -5.357 114 2HG GLU 14 2HG GLU 14 -9.850 8.136 -4.994 115 H GLY 15 H GLY 15 -4.803 9.000 -3.860 116 1HA GLY 15 1HA GLY 15 -4.441 11.050 -5.433 117 2HA GLY 15 2HA GLY 15 -4.977 11.923 -4.011 118 H LEU 16 H LEU 16 -3.693 9.469 -2.418 119 HA LEU 16 HA LEU 16 -1.492 10.708 -1.477 120 1HB LEU 16 1HB LEU 16 -0.679 8.345 -0.953 121 2HB LEU 16 2HB LEU 16 -2.212 8.876 -0.290 122 HG LEU 16 HG LEU 16 -3.455 7.570 -1.869 123 1HD1 LEU 16 1HD1 LEU 16 -2.001 6.030 -3.443 124 2HD1 LEU 16 2HD1 LEU 16 -2.472 7.675 -3.933 125 3HD1 LEU 16 3HD1 LEU 16 -0.837 7.369 -3.300 126 1HD2 LEU 16 1HD2 LEU 16 -2.879 6.252 -0.029 127 2HD2 LEU 16 2HD2 LEU 16 -2.441 5.250 -1.433 128 3HD2 LEU 16 3HD2 LEU 16 -1.177 6.120 -0.532 129 H THR 17 H THR 17 0.830 10.476 -1.822 130 HA THR 17 HA THR 17 1.418 10.365 -4.667 131 HB THR 17 HB THR 17 3.682 11.230 -3.704 132 HG1 THR 17 HG1 THR 17 3.169 12.054 -1.425 133 1HG2 THR 17 1HG2 THR 17 1.266 12.604 -4.199 134 2HG2 THR 17 2HG2 THR 17 1.741 13.136 -2.569 135 3HG2 THR 17 3HG2 THR 17 2.858 13.356 -3.937 136 H GLN 18 H GLN 18 3.266 9.173 -5.518 137 HA GLN 18 HA GLN 18 3.096 6.520 -4.906 138 1HB GLN 18 1HB GLN 18 5.289 8.121 -6.280 139 2HB GLN 18 2HB GLN 18 5.321 6.371 -6.198 140 1HG GLN 18 1HG GLN 18 2.999 7.984 -7.354 141 2HG GLN 18 2HG GLN 18 4.282 7.284 -8.320 142 1HE2 GLN 18 1HE2 GLN 18 1.550 6.700 -8.582 143 2HE2 GLN 18 2HE2 GLN 18 1.277 5.031 -8.208 144 H GLY 19 H GLY 19 5.190 9.069 -3.545 145 1HA GLY 19 1HA GLY 19 6.981 7.292 -2.204 146 2HA GLY 19 2HA GLY 19 6.796 9.017 -1.955 147 H GLU 20 H GLU 20 3.881 8.935 -1.419 148 HA GLU 20 HA GLU 20 4.046 8.488 1.328 149 1HB GLU 20 1HB GLU 20 1.796 9.118 -0.596 150 2HB GLU 20 2HB GLU 20 1.431 8.756 1.079 151 1HG GLU 20 1HG GLU 20 2.865 10.589 1.856 152 2HG GLU 20 2HG GLU 20 3.456 10.877 0.232 153 H LEU 21 H LEU 21 2.714 6.587 -1.419 154 HA LEU 21 HA LEU 21 1.381 4.668 0.094 155 1HB LEU 21 1HB LEU 21 1.451 5.228 -2.470 156 2HB LEU 21 2HB LEU 21 2.714 4.014 -2.504 157 HG LEU 21 HG LEU 21 0.902 2.717 -2.991 158 1HD1 LEU 21 1HD1 LEU 21 0.646 2.655 0.023 159 2HD1 LEU 21 2HD1 LEU 21 0.341 1.339 -1.136 160 3HD1 LEU 21 3HD1 LEU 21 2.001 1.923 -0.870 161 1HD2 LEU 21 1HD2 LEU 21 -0.932 4.092 -1.033 162 2HD2 LEU 21 2HD2 LEU 21 -0.650 4.739 -2.668 163 3HD2 LEU 21 3HD2 LEU 21 -1.339 3.111 -2.461 164 H MET 22 H MET 22 4.815 5.011 -0.890 165 HA MET 22 HA MET 22 5.698 2.515 -0.308 166 1HB MET 22 1HB MET 22 7.045 5.214 0.269 167 2HB MET 22 2HB MET 22 7.901 3.688 0.173 168 1HG MET 22 1HG MET 22 6.597 3.589 -2.219 169 2HG MET 22 2HG MET 22 6.688 5.329 -2.032 170 1HE MET 22 1HE MET 22 8.727 2.016 -2.659 171 2HE MET 22 2HE MET 22 10.309 2.477 -1.985 172 3HE MET 22 3HE MET 22 8.888 2.355 -0.919 173 H LYS 23 H LYS 23 5.729 5.352 1.979 174 HA LYS 23 HA LYS 23 6.456 3.785 4.192 175 1HB LYS 23 1HB LYS 23 5.619 6.577 3.668 176 2HB LYS 23 2HB LYS 23 5.293 5.991 5.287 177 1HG LYS 23 1HG LYS 23 8.001 5.387 4.110 178 2HG LYS 23 2HG LYS 23 7.683 7.041 4.596 179 1HD LYS 23 1HD LYS 23 6.912 6.119 6.866 180 2HD LYS 23 2HD LYS 23 7.509 4.553 6.354 181 1HE LYS 23 1HE LYS 23 9.770 5.270 6.321 182 2HE LYS 23 2HE LYS 23 9.338 6.962 6.174 183 1HZ LYS 23 1HZ LYS 23 8.411 5.623 8.550 184 2HZ LYS 23 2HZ LYS 23 10.023 5.859 8.446 185 3HZ LYS 23 3HZ LYS 23 9.005 7.133 8.370 186 H LEU 24 H LEU 24 3.386 4.467 2.580 187 HA LEU 24 HA LEU 24 1.727 3.799 4.761 188 1HB LEU 24 1HB LEU 24 1.457 4.732 2.114 189 2HB LEU 24 2HB LEU 24 0.536 3.243 2.200 190 HG LEU 24 HG LEU 24 0.201 5.500 4.188 191 1HD1 LEU 24 1HD1 LEU 24 -0.263 6.065 1.703 192 2HD1 LEU 24 2HD1 LEU 24 -1.689 5.017 1.898 193 3HD1 LEU 24 3HD1 LEU 24 -1.495 6.457 2.926 194 1HD2 LEU 24 1HD2 LEU 24 -1.174 4.129 5.256 195 2HD2 LEU 24 2HD2 LEU 24 -2.139 3.904 3.777 196 3HD2 LEU 24 3HD2 LEU 24 -0.758 2.832 4.110 197 H ILE 25 H ILE 25 3.195 1.935 2.049 198 HA ILE 25 HA ILE 25 1.854 -0.463 2.667 199 HB ILE 25 HB ILE 25 4.040 0.440 0.907 200 1HG1 ILE 25 1HG1 ILE 25 1.753 -1.509 0.499 201 2HG1 ILE 25 2HG1 ILE 25 1.647 0.221 0.236 202 1HG2 ILE 25 1HG2 ILE 25 4.363 -2.163 0.426 203 2HG2 ILE 25 2HG2 ILE 25 5.392 -1.263 1.565 204 3HG2 ILE 25 3HG2 ILE 25 4.045 -2.255 2.175 205 1HD1 ILE 25 1HD1 ILE 25 2.397 -1.617 -1.684 206 2HD1 ILE 25 2HD1 ILE 25 2.785 0.119 -1.743 207 3HD1 ILE 25 3HD1 ILE 25 3.977 -1.039 -1.102 208 H LYS 26 H LYS 26 5.061 0.914 3.597 209 HA LYS 26 HA LYS 26 5.864 -1.358 5.047 210 1HB LYS 26 1HB LYS 26 7.409 0.346 4.163 211 2HB LYS 26 2HB LYS 26 6.754 1.533 5.273 212 1HG LYS 26 1HG LYS 26 7.343 -0.276 7.128 213 2HG LYS 26 2HG LYS 26 8.407 -0.928 5.898 214 1HD LYS 26 1HD LYS 26 8.529 2.041 6.376 215 2HD LYS 26 2HD LYS 26 9.193 1.006 7.625 216 1HE LYS 26 1HE LYS 26 9.956 0.781 4.675 217 2HE LYS 26 2HE LYS 26 10.860 1.734 5.835 218 1HZ LYS 26 1HZ LYS 26 10.340 -0.918 6.727 219 2HZ LYS 26 2HZ LYS 26 11.229 -0.874 5.359 220 3HZ LYS 26 3HZ LYS 26 11.746 -0.089 6.694 221 H GLU 27 H GLU 27 3.861 1.494 5.797 222 HA GLU 27 HA GLU 27 3.960 1.326 8.536 223 1HB GLU 27 1HB GLU 27 2.417 2.708 6.528 224 2HB GLU 27 2HB GLU 27 1.306 2.098 7.739 225 1HG GLU 27 1HG GLU 27 2.867 3.094 9.521 226 2HG GLU 27 2HG GLU 27 3.745 3.869 8.217 227 H ILE 28 H ILE 28 2.001 -0.478 6.130 228 HA ILE 28 HA ILE 28 0.300 -1.684 8.033 229 HB ILE 28 HB ILE 28 1.014 -2.257 5.169 230 1HG1 ILE 28 1HG1 ILE 28 -1.761 -1.665 5.954 231 2HG1 ILE 28 2HG1 ILE 28 -0.635 -0.369 6.307 232 1HG2 ILE 28 1HG2 ILE 28 -1.090 -3.739 6.761 233 2HG2 ILE 28 2HG2 ILE 28 -0.598 -4.010 5.072 234 3HG2 ILE 28 3HG2 ILE 28 0.526 -4.390 6.398 235 1HD1 ILE 28 1HD1 ILE 28 -0.867 -1.760 3.598 236 2HD1 ILE 28 2HD1 ILE 28 -1.606 -0.193 4.006 237 3HD1 ILE 28 3HD1 ILE 28 0.166 -0.361 3.978 238 H VAL 29 H VAL 29 3.491 -2.494 6.617 239 HA VAL 29 HA VAL 29 3.508 -5.063 7.920 240 HB VAL 29 HB VAL 29 5.937 -3.805 6.735 241 1HG1 VAL 29 1HG1 VAL 29 6.084 -6.070 7.596 242 2HG1 VAL 29 2HG1 VAL 29 4.695 -6.573 6.603 243 3HG1 VAL 29 3HG1 VAL 29 6.222 -6.099 5.821 244 1HG2 VAL 29 1HG2 VAL 29 4.821 -4.851 4.496 245 2HG2 VAL 29 2HG2 VAL 29 3.371 -4.200 5.298 246 3HG2 VAL 29 3HG2 VAL 29 4.743 -3.127 4.932 247 H GLU 30 H GLU 30 3.924 -1.844 8.886 248 HA GLU 30 HA GLU 30 6.150 -2.191 10.570 249 1HB GLU 30 1HB GLU 30 5.459 0.027 9.756 250 2HB GLU 30 2HB GLU 30 3.917 -0.114 10.577 251 1HG GLU 30 1HG GLU 30 4.805 0.485 12.594 252 2HG GLU 30 2HG GLU 30 6.182 -0.582 12.406 253 H ASN 31 H ASN 31 3.102 -3.576 10.667 254 HA ASN 31 HA ASN 31 3.476 -4.258 13.412 255 1HB ASN 31 1HB ASN 31 0.799 -3.051 12.551 256 2HB ASN 31 2HB ASN 31 1.246 -3.560 14.168 257 1HD2 ASN 31 1HD2 ASN 31 1.489 -1.129 11.731 258 2HD2 ASN 31 2HD2 ASN 31 2.296 0.094 12.654 259 H GLU 32 H GLU 32 3.744 -5.824 11.099 260 HA GLU 32 HA GLU 32 1.388 -6.966 10.193 261 1HB GLU 32 1HB GLU 32 2.811 -8.650 9.180 262 2HB GLU 32 2HB GLU 32 3.632 -7.107 9.070 263 1HG GLU 32 1HG GLU 32 5.392 -7.897 10.261 264 2HG GLU 32 2HG GLU 32 4.343 -8.346 11.592 265 H ASP 33 H ASP 33 2.099 -9.839 10.530 266 HA ASP 33 HA ASP 33 1.996 -10.288 13.341 267 1HB ASP 33 1HB ASP 33 -0.435 -9.790 12.271 268 2HB ASP 33 2HB ASP 33 -0.311 -11.476 11.807 269 H LYS 34 H LYS 34 1.929 -12.769 13.745 270 HA LYS 34 HA LYS 34 3.662 -14.044 11.923 271 1HB LYS 34 1HB LYS 34 2.380 -14.654 14.523 272 2HB LYS 34 2HB LYS 34 2.771 -16.049 13.537 273 1HG LYS 34 1HG LYS 34 4.972 -15.842 14.034 274 2HG LYS 34 2HG LYS 34 4.997 -14.205 13.410 275 1HD LYS 34 1HD LYS 34 4.899 -13.275 15.498 276 2HD LYS 34 2HD LYS 34 3.659 -14.389 16.039 277 1HE LYS 34 1HE LYS 34 5.419 -16.176 16.313 278 2HE LYS 34 2HE LYS 34 6.644 -15.016 15.836 279 1HZ LYS 34 1HZ LYS 34 5.432 -15.339 18.335 280 2HZ LYS 34 2HZ LYS 34 6.696 -14.387 17.929 281 3HZ LYS 34 3HZ LYS 34 5.171 -13.814 17.812 282 H ARG 35 H ARG 35 0.338 -15.070 12.984 283 HA ARG 35 HA ARG 35 0.094 -16.657 10.670 284 1HB ARG 35 1HB ARG 35 -1.354 -16.218 13.166 285 2HB ARG 35 2HB ARG 35 -2.490 -16.222 11.832 286 1HG ARG 35 1HG ARG 35 -1.077 -18.377 11.073 287 2HG ARG 35 2HG ARG 35 -0.660 -18.431 12.774 288 1HD ARG 35 1HD ARG 35 -2.628 -19.547 13.070 289 2HD ARG 35 2HD ARG 35 -3.411 -17.992 12.872 290 HE ARG 35 HE ARG 35 -4.154 -18.659 10.755 291 1HH1 ARG 35 1HH1 ARG 35 -1.530 -20.772 11.773 292 2HH1 ARG 35 2HH1 ARG 35 -1.719 -21.861 10.440 293 1HH2 ARG 35 1HH2 ARG 35 -4.403 -20.096 8.996 294 2HH2 ARG 35 2HH2 ARG 35 -3.365 -21.474 8.849 295 H LYS 36 H LYS 36 -0.067 -13.334 11.130 296 HA LYS 36 HA LYS 36 -1.751 -13.042 8.761 297 1HB LYS 36 1HB LYS 36 -2.286 -11.952 11.466 298 2HB LYS 36 2HB LYS 36 -2.440 -10.807 10.149 299 1HG LYS 36 1HG LYS 36 -3.790 -12.805 8.987 300 2HG LYS 36 2HG LYS 36 -3.992 -13.354 10.639 301 1HD LYS 36 1HD LYS 36 -5.201 -11.413 11.281 302 2HD LYS 36 2HD LYS 36 -4.580 -10.462 9.946 303 1HE LYS 36 1HE LYS 36 -5.879 -11.909 8.341 304 2HE LYS 36 2HE LYS 36 -6.535 -12.799 9.701 305 1HZ LYS 36 1HZ LYS 36 -7.506 -10.481 8.647 306 2HZ LYS 36 2HZ LYS 36 -7.998 -11.203 10.027 307 3HZ LYS 36 3HZ LYS 36 -6.860 -10.032 10.079 308 HA PRO 37 HA PRO 37 2.165 -10.888 8.332 309 1HB PRO 37 1HB PRO 37 2.768 -11.790 5.823 310 2HB PRO 37 2HB PRO 37 3.335 -12.573 7.285 311 1HG PRO 37 1HG PRO 37 1.192 -13.427 5.436 312 2HG PRO 37 2HG PRO 37 2.052 -14.375 6.634 313 1HD PRO 37 1HD PRO 37 -0.609 -13.328 6.861 314 2HD PRO 37 2HD PRO 37 0.293 -14.176 8.101 315 H TYR 38 H TYR 38 2.905 -9.884 5.823 316 HA TYR 38 HA TYR 38 0.551 -8.527 4.840 317 1HB TYR 38 1HB TYR 38 2.773 -7.376 6.571 318 2HB TYR 38 2HB TYR 38 2.187 -6.364 5.266 319 HD1 TYR 38 HD1 TYR 38 -0.740 -7.143 5.333 320 HD2 TYR 38 HD2 TYR 38 2.011 -6.197 8.470 321 HE1 TYR 38 HE1 TYR 38 -2.668 -6.374 6.801 322 HE2 TYR 38 HE2 TYR 38 0.074 -5.430 9.927 323 HH TYR 38 HH TYR 38 -2.774 -4.604 8.850 324 H SER 39 H SER 39 1.828 -10.288 3.321 325 HA SER 39 HA SER 39 4.114 -9.199 2.068 326 1HB SER 39 1HB SER 39 2.297 -11.382 0.974 327 2HB SER 39 2HB SER 39 3.993 -11.131 0.612 328 HG SER 39 HG SER 39 3.547 -12.867 2.189 329 H ASP 40 H ASP 40 3.867 -9.329 -0.623 330 HA ASP 40 HA ASP 40 2.745 -7.016 -1.354 331 1HB ASP 40 1HB ASP 40 2.492 -8.243 -3.695 332 2HB ASP 40 2HB ASP 40 4.081 -7.961 -3.012 333 H GLN 41 H GLN 41 1.219 -10.218 -0.931 334 HA GLN 41 HA GLN 41 -1.124 -9.678 -2.336 335 1HB GLN 41 1HB GLN 41 -0.786 -11.951 -1.924 336 2HB GLN 41 2HB GLN 41 -0.250 -11.691 -0.276 337 1HG GLN 41 1HG GLN 41 -2.412 -12.636 -0.018 338 2HG GLN 41 2HG GLN 41 -2.680 -10.921 0.227 339 1HE2 GLN 41 1HE2 GLN 41 -4.864 -11.265 -0.324 340 2HE2 GLN 41 2HE2 GLN 41 -5.385 -11.394 -1.971 341 H GLU 42 H GLU 42 -0.839 -10.064 1.270 342 HA GLU 42 HA GLU 42 -3.161 -9.002 1.979 343 1HB GLU 42 1HB GLU 42 -1.051 -9.853 3.366 344 2HB GLU 42 2HB GLU 42 -0.725 -8.141 3.541 345 1HG GLU 42 1HG GLU 42 -2.580 -7.773 4.879 346 2HG GLU 42 2HG GLU 42 -3.555 -8.971 4.051 347 H ILE 43 H ILE 43 -0.133 -6.974 1.964 348 HA ILE 43 HA ILE 43 -1.250 -4.550 2.312 349 HB ILE 43 HB ILE 43 1.185 -5.605 1.080 350 1HG1 ILE 43 1HG1 ILE 43 1.149 -3.055 2.594 351 2HG1 ILE 43 2HG1 ILE 43 0.524 -4.452 3.449 352 1HG2 ILE 43 1HG2 ILE 43 0.304 -2.797 0.356 353 2HG2 ILE 43 2HG2 ILE 43 1.885 -3.539 0.014 354 3HG2 ILE 43 3HG2 ILE 43 0.416 -4.171 -0.769 355 1HD1 ILE 43 1HD1 ILE 43 3.242 -3.776 3.065 356 2HD1 ILE 43 2HD1 ILE 43 2.607 -5.299 3.733 357 3HD1 ILE 43 3HD1 ILE 43 2.954 -5.167 1.992 358 H ALA 44 H ALA 44 -0.891 -6.289 -0.846 359 HA ALA 44 HA ALA 44 -2.019 -4.299 -2.418 360 1HB ALA 44 1HB ALA 44 -2.508 -6.283 -3.957 361 2HB ALA 44 2HB ALA 44 -0.817 -6.097 -3.435 362 3HB ALA 44 3HB ALA 44 -1.855 -7.322 -2.668 363 H ASN 45 H ASN 45 -3.506 -7.020 -0.569 364 HA ASN 45 HA ASN 45 -6.055 -6.700 -1.543 365 1HB ASN 45 1HB ASN 45 -5.409 -7.471 1.341 366 2HB ASN 45 2HB ASN 45 -6.755 -8.029 0.367 367 1HD2 ASN 45 1HD2 ASN 45 -4.840 -8.103 -2.001 368 2HD2 ASN 45 2HD2 ASN 45 -3.990 -9.605 -1.850 369 H ILE 46 H ILE 46 -4.242 -5.122 1.145 370 HA ILE 46 HA ILE 46 -6.353 -3.831 2.386 371 HB ILE 46 HB ILE 46 -3.418 -3.248 2.121 372 1HG1 ILE 46 1HG1 ILE 46 -5.176 -4.274 4.366 373 2HG1 ILE 46 2HG1 ILE 46 -3.998 -5.189 3.447 374 1HG2 ILE 46 1HG2 ILE 46 -3.587 -1.463 3.713 375 2HG2 ILE 46 2HG2 ILE 46 -4.664 -1.097 2.343 376 3HG2 ILE 46 3HG2 ILE 46 -5.344 -1.701 3.873 377 1HD1 ILE 46 1HD1 ILE 46 -3.545 -3.083 5.556 378 2HD1 ILE 46 2HD1 ILE 46 -2.735 -4.652 5.332 379 3HD1 ILE 46 3HD1 ILE 46 -2.324 -3.280 4.276 380 H LEU 47 H LEU 47 -4.455 -2.996 -0.543 381 HA LEU 47 HA LEU 47 -5.282 -0.391 -0.856 382 1HB LEU 47 1HB LEU 47 -4.287 -0.513 -2.863 383 2HB LEU 47 2HB LEU 47 -3.633 -1.984 -2.170 384 HG LEU 47 HG LEU 47 -5.790 -3.061 -3.308 385 1HD1 LEU 47 1HD1 LEU 47 -6.110 -0.462 -4.150 386 2HD1 LEU 47 2HD1 LEU 47 -5.314 -1.230 -5.545 387 3HD1 LEU 47 3HD1 LEU 47 -6.834 -1.902 -4.906 388 1HD2 LEU 47 1HD2 LEU 47 -4.404 -3.860 -5.016 389 2HD2 LEU 47 2HD2 LEU 47 -3.442 -2.363 -5.066 390 3HD2 LEU 47 3HD2 LEU 47 -3.288 -3.474 -3.684 391 H LYS 48 H LYS 48 -6.997 -3.461 -1.486 392 HA LYS 48 HA LYS 48 -9.056 -2.460 -3.043 393 1HB LYS 48 1HB LYS 48 -8.367 -4.897 -2.305 394 2HB LYS 48 2HB LYS 48 -9.533 -4.630 -1.024 395 1HG LYS 48 1HG LYS 48 -11.165 -3.859 -2.906 396 2HG LYS 48 2HG LYS 48 -10.019 -4.564 -4.029 397 1HD LYS 48 1HD LYS 48 -11.486 -6.362 -3.641 398 2HD LYS 48 2HD LYS 48 -10.185 -6.709 -2.520 399 1HE LYS 48 1HE LYS 48 -11.731 -5.133 -0.914 400 2HE LYS 48 2HE LYS 48 -12.982 -5.779 -1.957 401 1HZ LYS 48 1HZ LYS 48 -12.801 -7.344 -0.321 402 2HZ LYS 48 2HZ LYS 48 -11.839 -7.997 -1.467 403 3HZ LYS 48 3HZ LYS 48 -11.178 -7.227 -0.187 404 H GLU 49 H GLU 49 -8.220 -1.812 0.256 405 HA GLU 49 HA GLU 49 -10.723 -1.414 1.333 406 1HB GLU 49 1HB GLU 49 -9.597 -0.182 3.068 407 2HB GLU 49 2HB GLU 49 -8.503 -1.451 2.555 408 1HG GLU 49 1HG GLU 49 -6.944 0.172 2.239 409 2HG GLU 49 2HG GLU 49 -7.860 0.658 0.827 410 H LYS 50 H LYS 50 -9.339 0.119 -1.340 411 HA LYS 50 HA LYS 50 -9.969 1.843 -2.570 412 1HB LYS 50 1HB LYS 50 -12.275 1.104 -2.009 413 2HB LYS 50 2HB LYS 50 -12.272 2.179 -0.626 414 1HG LYS 50 1HG LYS 50 -13.324 3.468 -2.312 415 2HG LYS 50 2HG LYS 50 -11.680 4.075 -2.310 416 1HD LYS 50 1HD LYS 50 -12.093 1.741 -4.106 417 2HD LYS 50 2HD LYS 50 -13.036 3.150 -4.550 418 1HE LYS 50 1HE LYS 50 -11.180 4.373 -5.154 419 2HE LYS 50 2HE LYS 50 -10.214 3.764 -3.825 420 1HZ LYS 50 1HZ LYS 50 -10.484 2.740 -6.480 421 2HZ LYS 50 2HZ LYS 50 -9.242 2.599 -5.430 422 3HZ LYS 50 3HZ LYS 50 -10.520 1.588 -5.323 423 H GLY 51 H GLY 51 -7.861 2.175 -0.827 424 1HA GLY 51 1HA GLY 51 -8.039 5.042 -0.312 425 2HA GLY 51 2HA GLY 51 -7.708 4.015 1.069 426 H PHE 52 H PHE 52 -6.641 3.175 -2.238 427 HA PHE 52 HA PHE 52 -4.018 4.257 -1.825 428 1HB PHE 52 1HB PHE 52 -4.673 1.252 -1.809 429 2HB PHE 52 2HB PHE 52 -3.049 1.856 -2.070 430 HD1 PHE 52 HD1 PHE 52 -1.670 2.422 -0.250 431 HD2 PHE 52 HD2 PHE 52 -5.815 1.785 0.398 432 HE1 PHE 52 HE1 PHE 52 -1.290 2.471 2.230 433 HE2 PHE 52 HE2 PHE 52 -5.435 1.834 2.878 434 HZ PHE 52 HZ PHE 52 -3.177 2.176 3.765 435 H LYS 53 H LYS 53 -5.375 1.395 -3.610 436 HA LYS 53 HA LYS 53 -5.850 1.168 -5.785 437 1HB LYS 53 1HB LYS 53 -6.034 3.885 -5.596 438 2HB LYS 53 2HB LYS 53 -4.719 3.730 -6.742 439 1HG LYS 53 1HG LYS 53 -7.022 1.896 -7.231 440 2HG LYS 53 2HG LYS 53 -7.390 3.599 -7.412 441 1HD LYS 53 1HD LYS 53 -4.824 2.765 -8.672 442 2HD LYS 53 2HD LYS 53 -6.244 2.014 -9.372 443 1HE LYS 53 1HE LYS 53 -6.147 5.015 -8.879 444 2HE LYS 53 2HE LYS 53 -5.459 4.320 -10.333 445 1HZ LYS 53 1HZ LYS 53 -8.142 4.795 -9.748 446 2HZ LYS 53 2HZ LYS 53 -7.486 4.266 -11.147 447 3HZ LYS 53 3HZ LYS 53 -7.949 3.194 -10.006 448 H VAL 54 H VAL 54 -3.789 -0.120 -4.736 449 HA VAL 54 HA VAL 54 -1.430 0.515 -6.330 450 HB VAL 54 HB VAL 54 -1.620 -1.699 -4.320 451 1HG1 VAL 54 1HG1 VAL 54 0.702 -1.368 -4.055 452 2HG1 VAL 54 2HG1 VAL 54 0.414 -1.219 -5.806 453 3HG1 VAL 54 3HG1 VAL 54 0.647 0.241 -4.815 454 1HG2 VAL 54 1HG2 VAL 54 -0.681 0.423 -2.837 455 2HG2 VAL 54 2HG2 VAL 54 -2.001 1.165 -3.772 456 3HG2 VAL 54 3HG2 VAL 54 -2.324 -0.255 -2.748 457 H ALA 55 H ALA 55 -0.864 -2.570 -5.877 458 HA ALA 55 HA ALA 55 -2.583 -4.156 -7.210 459 1HB ALA 55 1HB ALA 55 -1.274 -2.218 -9.041 460 2HB ALA 55 2HB ALA 55 -1.224 -3.918 -9.567 461 3HB ALA 55 3HB ALA 55 -2.788 -3.134 -9.235 462 H ARG 56 H ARG 56 -1.720 -6.230 -7.285 463 HA ARG 56 HA ARG 56 0.324 -6.937 -5.853 464 1HB ARG 56 1HB ARG 56 -0.989 -8.100 -8.240 465 2HB ARG 56 2HB ARG 56 0.636 -8.712 -8.006 466 1HG ARG 56 1HG ARG 56 -0.278 -10.152 -6.499 467 2HG ARG 56 2HG ARG 56 -0.381 -8.779 -5.415 468 1HD ARG 56 1HD ARG 56 -2.661 -8.643 -5.609 469 2HD ARG 56 2HD ARG 56 -2.622 -8.867 -7.346 470 HE ARG 56 HE ARG 56 -3.134 -10.913 -5.388 471 1HH1 ARG 56 1HH1 ARG 56 -1.493 -10.411 -8.460 472 2HH1 ARG 56 2HH1 ARG 56 -1.641 -12.065 -8.954 473 1HH2 ARG 56 1HH2 ARG 56 -3.328 -13.094 -6.039 474 2HH2 ARG 56 2HH2 ARG 56 -2.691 -13.601 -7.568 475 H ARG 57 H ARG 57 0.570 -5.904 -9.311 476 HA ARG 57 HA ARG 57 3.249 -6.440 -9.614 477 1HB ARG 57 1HB ARG 57 1.398 -5.695 -11.343 478 2HB ARG 57 2HB ARG 57 1.887 -4.062 -10.938 479 1HG ARG 57 1HG ARG 57 4.349 -5.194 -11.359 480 2HG ARG 57 2HG ARG 57 3.380 -6.175 -12.441 481 1HD ARG 57 1HD ARG 57 3.257 -3.125 -12.449 482 2HD ARG 57 2HD ARG 57 4.382 -4.023 -13.448 483 HE ARG 57 HE ARG 57 1.887 -5.193 -13.955 484 1HH1 ARG 57 1HH1 ARG 57 3.272 -1.971 -14.235 485 2HH1 ARG 57 2HH1 ARG 57 2.252 -1.507 -15.556 486 1HH2 ARG 57 1HH2 ARG 57 0.540 -4.582 -15.697 487 2HH2 ARG 57 2HH2 ARG 57 0.687 -3.003 -16.393 488 H THR 58 H THR 58 1.574 -3.301 -8.821 489 HA THR 58 HA THR 58 3.941 -1.843 -8.423 490 HB THR 58 HB THR 58 0.994 -1.564 -7.804 491 HG1 THR 58 HG1 THR 58 1.533 -0.637 -9.757 492 1HG2 THR 58 1HG2 THR 58 3.050 0.545 -7.011 493 2HG2 THR 58 2HG2 THR 58 1.304 0.529 -6.664 494 3HG2 THR 58 3HG2 THR 58 2.391 -0.600 -5.818 495 H VAL 59 H VAL 59 1.925 -3.828 -6.212 496 HA VAL 59 HA VAL 59 3.254 -3.020 -3.874 497 HB VAL 59 HB VAL 59 1.972 -5.706 -4.318 498 1HG1 VAL 59 1HG1 VAL 59 1.261 -5.452 -2.004 499 2HG1 VAL 59 2HG1 VAL 59 3.023 -5.229 -2.127 500 3HG1 VAL 59 3HG1 VAL 59 1.957 -3.815 -1.941 501 1HG2 VAL 59 1HG2 VAL 59 0.017 -3.844 -3.412 502 2HG2 VAL 59 2HG2 VAL 59 0.769 -3.164 -4.875 503 3HG2 VAL 59 3HG2 VAL 59 0.035 -4.784 -4.923 504 H ALA 60 H ALA 60 3.872 -5.550 -6.340 505 HA ALA 60 HA ALA 60 5.851 -6.910 -4.892 506 1HB ALA 60 1HB ALA 60 5.064 -8.132 -6.683 507 2HB ALA 60 2HB ALA 60 4.934 -6.706 -7.740 508 3HB ALA 60 3HB ALA 60 6.525 -7.441 -7.428 509 H LYS 61 H LYS 61 5.912 -4.083 -7.124 510 HA LYS 61 HA LYS 61 8.698 -3.906 -7.294 511 1HB LYS 61 1HB LYS 61 6.427 -2.520 -8.280 512 2HB LYS 61 2HB LYS 61 7.436 -1.325 -7.491 513 1HG LYS 61 1HG LYS 61 8.433 -1.354 -9.594 514 2HG LYS 61 2HG LYS 61 9.410 -2.564 -8.788 515 1HD LYS 61 1HD LYS 61 8.334 -4.364 -9.874 516 2HD LYS 61 2HD LYS 61 6.877 -3.442 -10.190 517 1HE LYS 61 1HE LYS 61 7.698 -3.142 -12.294 518 2HE LYS 61 2HE LYS 61 8.795 -1.977 -11.581 519 1HZ LYS 61 1HZ LYS 61 10.381 -3.744 -11.257 520 2HZ LYS 61 2HZ LYS 61 9.356 -4.846 -11.892 521 3HZ LYS 61 3HZ LYS 61 9.960 -3.654 -12.832 522 H TYR 62 H TYR 62 6.294 -2.533 -4.987 523 HA TYR 62 HA TYR 62 8.138 -0.941 -3.590 524 1HB TYR 62 1HB TYR 62 5.416 -2.252 -3.192 525 2HB TYR 62 2HB TYR 62 6.177 -1.542 -1.782 526 HD1 TYR 62 HD1 TYR 62 5.195 0.487 -1.253 527 HD2 TYR 62 HD2 TYR 62 5.883 -0.453 -5.370 528 HE1 TYR 62 HE1 TYR 62 4.307 2.771 -1.931 529 HE2 TYR 62 HE2 TYR 62 4.992 1.834 -6.034 530 HH TYR 62 HH TYR 62 3.171 3.542 -4.597 531 H ARG 63 H ARG 63 7.044 -4.354 -3.210 532 HA ARG 63 HA ARG 63 8.040 -4.866 -0.761 533 1HB ARG 63 1HB ARG 63 7.359 -6.412 -3.167 534 2HB ARG 63 2HB ARG 63 8.678 -7.169 -2.296 535 1HG ARG 63 1HG ARG 63 6.613 -6.249 -0.433 536 2HG ARG 63 2HG ARG 63 5.916 -7.291 -1.658 537 1HD ARG 63 1HD ARG 63 6.637 -8.993 -0.298 538 2HD ARG 63 2HD ARG 63 8.190 -8.715 -1.061 539 HE ARG 63 HE ARG 63 8.154 -6.878 1.024 540 1HH1 ARG 63 1HH1 ARG 63 7.721 -10.363 0.803 541 2HH1 ARG 63 2HH1 ARG 63 8.338 -10.669 2.393 542 1HH2 ARG 63 1HH2 ARG 63 8.968 -7.280 3.121 543 2HH2 ARG 63 2HH2 ARG 63 9.052 -8.904 3.720 544 H GLU 64 H GLU 64 9.772 -4.750 -3.921 545 HA GLU 64 HA GLU 64 12.192 -5.714 -2.876 546 1HB GLU 64 1HB GLU 64 11.313 -5.553 -5.356 547 2HB GLU 64 2HB GLU 64 12.002 -3.942 -5.326 548 1HG GLU 64 1HG GLU 64 14.103 -5.325 -4.273 549 2HG GLU 64 2HG GLU 64 13.384 -6.605 -5.231 550 H MET 65 H MET 65 10.730 -2.469 -3.308 551 HA MET 65 HA MET 65 13.080 -1.052 -2.776 552 1HB MET 65 1HB MET 65 10.128 -0.526 -2.958 553 2HB MET 65 2HB MET 65 11.025 0.641 -2.008 554 1HG MET 65 1HG MET 65 12.611 0.965 -3.939 555 2HG MET 65 2HG MET 65 11.664 -0.163 -4.888 556 1HE MET 65 1HE MET 65 9.203 1.423 -6.488 557 2HE MET 65 2HE MET 65 9.637 -0.062 -5.607 558 3HE MET 65 3HE MET 65 8.336 0.988 -4.996 559 H LEU 66 H LEU 66 10.456 -2.379 -0.719 560 HA LEU 66 HA LEU 66 11.519 -1.088 1.629 561 1HB LEU 66 1HB LEU 66 9.386 -3.208 1.521 562 2HB LEU 66 2HB LEU 66 9.666 -2.006 2.765 563 HG LEU 66 HG LEU 66 9.123 -0.828 0.130 564 1HD1 LEU 66 1HD1 LEU 66 6.731 -1.356 0.097 565 2HD1 LEU 66 2HD1 LEU 66 7.728 -2.815 -0.116 566 3HD1 LEU 66 3HD1 LEU 66 6.957 -2.485 1.454 567 1HD2 LEU 66 1HD2 LEU 66 7.265 -0.158 2.238 568 2HD2 LEU 66 2HD2 LEU 66 8.941 -0.115 2.837 569 3HD2 LEU 66 3HD2 LEU 66 8.477 0.858 1.420 570 H GLY 67 H GLY 67 10.903 -4.549 0.684 571 1HA GLY 67 1HA GLY 67 13.216 -5.746 0.824 572 2HA GLY 67 2HA GLY 67 13.044 -5.347 2.522 Start of MODEL 11 1 1H THR 1 1H THR 1 1.529 27.199 -23.626 2 HA THR 1 HA THR 1 -0.563 25.492 -24.409 3 HB THR 1 HB THR 1 1.051 23.753 -23.840 4 HG1 THR 1 HG1 THR 1 2.391 25.939 -22.414 5 1HG2 THR 1 1HG2 THR 1 2.751 24.412 -25.248 6 2HG2 THR 1 2HG2 THR 1 1.793 25.897 -25.461 7 3HG2 THR 1 3HG2 THR 1 3.112 25.852 -24.267 8 H TYR 2 H TYR 2 -1.893 24.059 -23.247 9 HA TYR 2 HA TYR 2 -2.143 24.739 -20.396 10 1HB TYR 2 1HB TYR 2 -4.246 24.178 -22.581 11 2HB TYR 2 2HB TYR 2 -4.648 24.387 -20.888 12 HD1 TYR 2 HD1 TYR 2 -4.711 26.583 -19.872 13 HD2 TYR 2 HD2 TYR 2 -3.459 26.105 -23.935 14 HE1 TYR 2 HE1 TYR 2 -4.917 29.091 -20.238 15 HE2 TYR 2 HE2 TYR 2 -3.670 28.614 -24.287 16 HH TYR 2 HH TYR 2 -5.100 30.663 -21.848 17 H SER 3 H SER 3 -1.323 22.941 -19.389 18 HA SER 3 HA SER 3 -2.491 20.417 -20.265 19 1HB SER 3 1HB SER 3 -0.362 19.294 -19.624 20 2HB SER 3 2HB SER 3 -0.136 20.442 -20.929 21 HG SER 3 HG SER 3 0.227 21.353 -18.241 22 H LEU 4 H LEU 4 -2.412 18.713 -18.416 23 HA LEU 4 HA LEU 4 -3.285 20.063 -15.998 24 1HB LEU 4 1HB LEU 4 -4.143 17.826 -17.445 25 2HB LEU 4 2HB LEU 4 -3.442 17.172 -15.978 26 HG LEU 4 HG LEU 4 -4.993 19.248 -15.016 27 1HD1 LEU 4 1HD1 LEU 4 -6.060 18.401 -17.620 28 2HD1 LEU 4 2HD1 LEU 4 -7.235 18.323 -16.285 29 3HD1 LEU 4 3HD1 LEU 4 -6.401 19.853 -16.648 30 1HD2 LEU 4 1HD2 LEU 4 -4.696 16.858 -14.214 31 2HD2 LEU 4 2HD2 LEU 4 -6.318 17.566 -14.023 32 3HD2 LEU 4 3HD2 LEU 4 -5.998 16.418 -15.345 33 H ARG 5 H ARG 5 -2.400 19.648 -13.916 34 HA ARG 5 HA ARG 5 -0.142 17.942 -13.734 35 1HB ARG 5 1HB ARG 5 0.189 20.876 -14.082 36 2HB ARG 5 2HB ARG 5 1.021 20.248 -12.673 37 1HG ARG 5 1HG ARG 5 2.051 18.457 -14.170 38 2HG ARG 5 2HG ARG 5 1.334 19.268 -15.548 39 1HD ARG 5 1HD ARG 5 3.108 20.784 -13.593 40 2HD ARG 5 2HD ARG 5 3.803 19.863 -14.911 41 HE ARG 5 HE ARG 5 1.695 21.565 -15.907 42 1HH1 ARG 5 1HH1 ARG 5 5.016 21.671 -14.751 43 2HH1 ARG 5 2HH1 ARG 5 5.420 23.094 -15.653 44 1HH2 ARG 5 1HH2 ARG 5 2.226 23.441 -17.098 45 2HH2 ARG 5 2HH2 ARG 5 3.822 24.107 -16.997 46 H THR 6 H THR 6 -1.084 16.899 -11.954 47 HA THR 6 HA THR 6 -1.776 16.572 -9.867 48 HB THR 6 HB THR 6 -0.264 19.207 -9.505 49 HG1 THR 6 HG1 THR 6 1.029 17.382 -10.081 50 1HG2 THR 6 1HG2 THR 6 -0.684 17.262 -7.247 51 2HG2 THR 6 2HG2 THR 6 -0.452 19.026 -7.188 52 3HG2 THR 6 3HG2 THR 6 -2.040 18.351 -7.625 53 H PHE 7 H PHE 7 -3.978 16.514 -10.209 54 HA PHE 7 HA PHE 7 -5.339 19.075 -9.755 55 1HB PHE 7 1HB PHE 7 -7.230 17.831 -10.983 56 2HB PHE 7 2HB PHE 7 -5.810 18.115 -11.970 57 HD1 PHE 7 HD1 PHE 7 -7.970 15.630 -10.514 58 HD2 PHE 7 HD2 PHE 7 -4.196 16.229 -12.358 59 HE1 PHE 7 HE1 PHE 7 -7.821 13.174 -11.006 60 HE2 PHE 7 HE2 PHE 7 -4.047 13.772 -12.851 61 HZ PHE 7 HZ PHE 7 -5.861 12.274 -12.169 62 H PHE 8 H PHE 8 -5.536 19.028 -7.493 63 HA PHE 8 HA PHE 8 -6.078 16.777 -5.991 64 1HB PHE 8 1HB PHE 8 -6.619 18.457 -4.273 65 2HB PHE 8 2HB PHE 8 -5.349 19.135 -5.272 66 HD1 PHE 8 HD1 PHE 8 -5.880 20.906 -6.917 67 HD2 PHE 8 HD2 PHE 8 -8.808 19.430 -4.224 68 HE1 PHE 8 HE1 PHE 8 -7.309 22.920 -7.366 69 HE2 PHE 8 HE2 PHE 8 -10.237 21.444 -4.673 70 HZ PHE 8 HZ PHE 8 -9.470 23.165 -6.239 71 H VAL 9 H VAL 9 -7.818 15.443 -5.948 72 HA VAL 9 HA VAL 9 -10.456 16.645 -6.148 73 HB VAL 9 HB VAL 9 -9.435 14.465 -7.978 74 1HG1 VAL 9 1HG1 VAL 9 -11.519 13.712 -8.230 75 2HG1 VAL 9 2HG1 VAL 9 -12.038 14.786 -6.910 76 3HG1 VAL 9 3HG1 VAL 9 -12.106 15.352 -8.596 77 1HG2 VAL 9 1HG2 VAL 9 -10.445 17.279 -8.504 78 2HG2 VAL 9 2HG2 VAL 9 -8.805 16.647 -8.782 79 3HG2 VAL 9 3HG2 VAL 9 -10.165 16.058 -9.769 80 H ARG 10 H ARG 10 -10.206 13.226 -6.699 81 HA ARG 10 HA ARG 10 -9.823 12.423 -4.067 82 1HB ARG 10 1HB ARG 10 -12.593 13.175 -4.843 83 2HB ARG 10 2HB ARG 10 -12.477 11.559 -4.177 84 1HG ARG 10 1HG ARG 10 -10.904 12.902 -2.384 85 2HG ARG 10 2HG ARG 10 -11.984 14.201 -2.854 86 1HD ARG 10 1HD ARG 10 -13.542 11.779 -2.434 87 2HD ARG 10 2HD ARG 10 -12.520 12.051 -1.037 88 HE ARG 10 HE ARG 10 -13.747 14.535 -1.828 89 1HH1 ARG 10 1HH1 ARG 10 -14.507 11.467 -0.281 90 2HH1 ARG 10 2HH1 ARG 10 -15.820 12.113 0.645 91 1HH2 ARG 10 1HH2 ARG 10 -15.479 15.388 -0.606 92 2HH2 ARG 10 2HH2 ARG 10 -16.377 14.358 0.459 93 H GLU 11 H GLU 11 -12.458 11.275 -6.263 94 HA GLU 11 HA GLU 11 -12.775 9.258 -7.089 95 1HB GLU 11 1HB GLU 11 -10.136 10.107 -8.343 96 2HB GLU 11 2HB GLU 11 -11.009 8.689 -8.889 97 1HG GLU 11 1HG GLU 11 -13.026 10.104 -9.337 98 2HG GLU 11 2HG GLU 11 -12.151 11.522 -8.794 99 H SER 12 H SER 12 -9.310 8.591 -7.414 100 HA SER 12 HA SER 12 -9.687 6.410 -5.539 101 1HB SER 12 1HB SER 12 -7.928 6.878 -7.932 102 2HB SER 12 2HB SER 12 -7.310 5.825 -6.676 103 HG SER 12 HG SER 12 -8.495 4.625 -8.277 104 H ALA 13 H ALA 13 -8.089 5.993 -3.859 105 HA ALA 13 HA ALA 13 -6.969 6.774 -2.086 106 1HB ALA 13 1HB ALA 13 -5.085 7.765 -4.261 107 2HB ALA 13 2HB ALA 13 -4.656 7.258 -2.610 108 3HB ALA 13 3HB ALA 13 -5.248 6.058 -3.784 109 H GLU 14 H GLU 14 -5.050 9.288 -3.024 110 HA GLU 14 HA GLU 14 -7.017 11.348 -2.953 111 1HB GLU 14 1HB GLU 14 -5.877 10.414 -0.477 112 2HB GLU 14 2HB GLU 14 -5.238 12.015 -0.790 113 1HG GLU 14 1HG GLU 14 -7.872 12.424 -1.442 114 2HG GLU 14 2HG GLU 14 -8.053 11.168 -0.233 115 H GLY 15 H GLY 15 -4.840 10.347 -4.710 116 1HA GLY 15 1HA GLY 15 -3.395 11.375 -6.123 117 2HA GLY 15 2HA GLY 15 -3.567 12.868 -5.221 118 H LEU 16 H LEU 16 -2.904 10.283 -3.072 119 HA LEU 16 HA LEU 16 -0.651 11.230 -2.010 120 1HB LEU 16 1HB LEU 16 -0.117 8.864 -1.389 121 2HB LEU 16 2HB LEU 16 -1.723 9.432 -0.977 122 HG LEU 16 HG LEU 16 -2.735 8.159 -2.723 123 1HD1 LEU 16 1HD1 LEU 16 0.066 7.881 -3.766 124 2HD1 LEU 16 2HD1 LEU 16 -1.161 6.651 -4.157 125 3HD1 LEU 16 3HD1 LEU 16 -1.427 8.350 -4.615 126 1HD2 LEU 16 1HD2 LEU 16 -2.133 5.874 -2.116 127 2HD2 LEU 16 2HD2 LEU 16 -0.614 6.452 -1.390 128 3HD2 LEU 16 3HD2 LEU 16 -2.177 6.926 -0.681 129 H THR 17 H THR 17 1.653 10.819 -2.216 130 HA THR 17 HA THR 17 2.414 10.658 -5.018 131 HB THR 17 HB THR 17 4.673 11.343 -3.898 132 HG1 THR 17 HG1 THR 17 2.960 12.146 -1.737 133 1HG2 THR 17 1HG2 THR 17 3.191 13.080 -4.910 134 2HG2 THR 17 2HG2 THR 17 2.201 13.095 -3.431 135 3HG2 THR 17 3HG2 THR 17 3.887 13.665 -3.380 136 H GLN 18 H GLN 18 4.233 9.330 -5.737 137 HA GLN 18 HA GLN 18 3.816 6.702 -5.185 138 1HB GLN 18 1HB GLN 18 5.911 8.301 -6.564 139 2HB GLN 18 2HB GLN 18 6.434 6.708 -6.054 140 1HG GLN 18 1HG GLN 18 5.146 5.654 -7.619 141 2HG GLN 18 2HG GLN 18 3.747 6.650 -7.270 142 1HE2 GLN 18 1HE2 GLN 18 4.524 5.849 -9.829 143 2HE2 GLN 18 2HE2 GLN 18 4.966 7.235 -10.769 144 H GLY 19 H GLY 19 5.938 9.060 -3.556 145 1HA GLY 19 1HA GLY 19 7.453 7.141 -2.084 146 2HA GLY 19 2HA GLY 19 7.352 8.868 -1.804 147 H GLU 20 H GLU 20 4.466 9.086 -1.499 148 HA GLU 20 HA GLU 20 4.295 8.513 1.205 149 1HB GLU 20 1HB GLU 20 2.386 9.456 -0.922 150 2HB GLU 20 2HB GLU 20 1.707 8.932 0.607 151 1HG GLU 20 1HG GLU 20 4.024 10.902 0.512 152 2HG GLU 20 2HG GLU 20 2.367 11.448 0.346 153 H LEU 21 H LEU 21 3.194 6.757 -1.720 154 HA LEU 21 HA LEU 21 1.555 4.912 -0.393 155 1HB LEU 21 1HB LEU 21 1.847 5.544 -2.912 156 2HB LEU 21 2HB LEU 21 3.057 4.276 -2.905 157 HG LEU 21 HG LEU 21 1.272 3.037 -3.548 158 1HD1 LEU 21 1HD1 LEU 21 2.022 2.065 -1.436 159 2HD1 LEU 21 2HD1 LEU 21 0.836 3.052 -0.548 160 3HD1 LEU 21 3HD1 LEU 21 0.280 1.801 -1.685 161 1HD2 LEU 21 1HD2 LEU 21 -0.870 3.722 -3.584 162 2HD2 LEU 21 2HD2 LEU 21 -0.866 4.193 -1.868 163 3HD2 LEU 21 3HD2 LEU 21 -0.174 5.284 -3.092 164 H MET 22 H MET 22 5.073 5.025 -1.101 165 HA MET 22 HA MET 22 5.654 2.424 -0.450 166 1HB MET 22 1HB MET 22 7.245 5.021 -0.077 167 2HB MET 22 2HB MET 22 7.965 3.433 0.104 168 1HG MET 22 1HG MET 22 6.730 3.149 -2.348 169 2HG MET 22 2HG MET 22 7.118 4.858 -2.380 170 1HE MET 22 1HE MET 22 9.991 1.866 -0.814 171 2HE MET 22 2HE MET 22 8.244 1.643 -1.071 172 3HE MET 22 3HE MET 22 9.399 1.153 -2.334 173 H LYS 23 H LYS 23 5.999 5.355 1.691 174 HA LYS 23 HA LYS 23 6.544 3.882 3.994 175 1HB LYS 23 1HB LYS 23 5.520 6.688 3.524 176 2HB LYS 23 2HB LYS 23 5.824 6.062 5.132 177 1HG LYS 23 1HG LYS 23 8.143 5.334 3.750 178 2HG LYS 23 2HG LYS 23 7.750 6.888 3.040 179 1HD LYS 23 1HD LYS 23 7.687 7.949 5.261 180 2HD LYS 23 2HD LYS 23 7.899 6.399 6.051 181 1HE LYS 23 1HE LYS 23 10.163 6.346 5.641 182 2HE LYS 23 2HE LYS 23 9.992 7.006 4.027 183 1HZ LYS 23 1HZ LYS 23 11.079 8.474 5.682 184 2HZ LYS 23 2HZ LYS 23 9.819 9.160 4.902 185 3HZ LYS 23 3HZ LYS 23 9.641 8.638 6.439 186 H LEU 24 H LEU 24 3.541 4.624 2.290 187 HA LEU 24 HA LEU 24 1.809 4.188 4.469 188 1HB LEU 24 1HB LEU 24 1.623 4.534 1.550 189 2HB LEU 24 2HB LEU 24 0.342 3.568 2.256 190 HG LEU 24 HG LEU 24 0.987 6.164 3.582 191 1HD1 LEU 24 1HD1 LEU 24 -0.903 6.351 1.302 192 2HD1 LEU 24 2HD1 LEU 24 0.210 7.561 1.984 193 3HD1 LEU 24 3HD1 LEU 24 0.830 6.291 0.903 194 1HD2 LEU 24 1HD2 LEU 24 -1.571 4.645 3.009 195 2HD2 LEU 24 2HD2 LEU 24 -0.710 4.765 4.563 196 3HD2 LEU 24 3HD2 LEU 24 -1.480 6.207 3.858 197 H ILE 25 H ILE 25 3.215 2.061 1.919 198 HA ILE 25 HA ILE 25 1.754 -0.217 2.715 199 HB ILE 25 HB ILE 25 3.951 0.450 0.868 200 1HG1 ILE 25 1HG1 ILE 25 1.650 -1.497 0.580 201 2HG1 ILE 25 2HG1 ILE 25 1.479 0.229 0.328 202 1HG2 ILE 25 1HG2 ILE 25 4.985 -1.351 2.216 203 2HG2 ILE 25 2HG2 ILE 25 3.606 -2.405 1.822 204 3HG2 ILE 25 3HG2 ILE 25 4.682 -1.827 0.528 205 1HD1 ILE 25 1HD1 ILE 25 2.879 0.237 -1.570 206 2HD1 ILE 25 2HD1 ILE 25 3.688 -1.276 -1.098 207 3HD1 ILE 25 3HD1 ILE 25 2.025 -1.317 -1.729 208 H LYS 26 H LYS 26 5.042 1.059 3.501 209 HA LYS 26 HA LYS 26 5.756 -1.132 5.109 210 1HB LYS 26 1HB LYS 26 7.722 -0.061 5.279 211 2HB LYS 26 2HB LYS 26 7.068 0.992 4.041 212 1HG LYS 26 1HG LYS 26 6.108 2.444 5.932 213 2HG LYS 26 2HG LYS 26 7.032 1.466 7.055 214 1HD LYS 26 1HD LYS 26 8.631 2.448 4.754 215 2HD LYS 26 2HD LYS 26 7.974 3.735 5.745 216 1HE LYS 26 1HE LYS 26 9.272 1.397 7.146 217 2HE LYS 26 2HE LYS 26 10.315 2.556 6.345 218 1HZ LYS 26 1HZ LYS 26 8.205 3.443 8.166 219 2HZ LYS 26 2HZ LYS 26 9.674 3.001 8.726 220 3HZ LYS 26 3HZ LYS 26 9.540 4.254 7.687 221 H GLU 27 H GLU 27 3.892 1.853 5.672 222 HA GLU 27 HA GLU 27 4.016 1.837 8.426 223 1HB GLU 27 1HB GLU 27 2.398 3.116 6.327 224 2HB GLU 27 2HB GLU 27 1.471 2.833 7.786 225 1HG GLU 27 1HG GLU 27 4.200 3.892 8.297 226 2HG GLU 27 2HG GLU 27 3.186 4.981 7.371 227 H ILE 28 H ILE 28 1.968 0.025 6.115 228 HA ILE 28 HA ILE 28 0.142 -0.924 8.043 229 HB ILE 28 HB ILE 28 0.801 -1.427 5.209 230 1HG1 ILE 28 1HG1 ILE 28 -1.971 -1.594 5.787 231 2HG1 ILE 28 2HG1 ILE 28 -1.328 -0.315 6.798 232 1HG2 ILE 28 1HG2 ILE 28 0.889 -3.701 5.848 233 2HG2 ILE 28 2HG2 ILE 28 -0.490 -3.525 6.959 234 3HG2 ILE 28 3HG2 ILE 28 -0.747 -3.434 5.201 235 1HD1 ILE 28 1HD1 ILE 28 -0.596 0.966 4.967 236 2HD1 ILE 28 2HD1 ILE 28 -0.500 -0.448 3.891 237 3HD1 ILE 28 3HD1 ILE 28 -2.086 0.231 4.329 238 H VAL 29 H VAL 29 3.381 -1.909 6.963 239 HA VAL 29 HA VAL 29 3.173 -4.427 8.375 240 HB VAL 29 HB VAL 29 5.746 -3.397 7.302 241 1HG1 VAL 29 1HG1 VAL 29 4.277 -6.048 7.283 242 2HG1 VAL 29 2HG1 VAL 29 5.798 -5.767 6.402 243 3HG1 VAL 29 3HG1 VAL 29 5.755 -5.615 8.175 244 1HG2 VAL 29 1HG2 VAL 29 3.288 -3.859 5.630 245 2HG2 VAL 29 2HG2 VAL 29 4.540 -2.602 5.487 246 3HG2 VAL 29 3HG2 VAL 29 4.895 -4.272 4.986 247 H GLU 30 H GLU 30 2.985 -1.615 9.666 248 HA GLU 30 HA GLU 30 5.351 -1.308 11.132 249 1HB GLU 30 1HB GLU 30 2.533 -0.229 11.370 250 2HB GLU 30 2HB GLU 30 3.693 0.085 12.645 251 1HG GLU 30 1HG GLU 30 4.640 0.571 9.838 252 2HG GLU 30 2HG GLU 30 3.426 1.677 10.449 253 H ASN 31 H ASN 31 2.469 -3.320 11.480 254 HA ASN 31 HA ASN 31 3.683 -4.439 13.856 255 1HB ASN 31 1HB ASN 31 0.682 -3.870 13.667 256 2HB ASN 31 2HB ASN 31 1.540 -4.501 15.059 257 1HD2 ASN 31 1HD2 ASN 31 3.432 -3.107 15.793 258 2HD2 ASN 31 2HD2 ASN 31 3.155 -1.401 15.910 259 H GLU 32 H GLU 32 4.038 -5.680 11.502 260 HA GLU 32 HA GLU 32 1.906 -7.128 10.493 261 1HB GLU 32 1HB GLU 32 3.566 -8.373 9.258 262 2HB GLU 32 2HB GLU 32 4.132 -6.718 9.369 263 1HG GLU 32 1HG GLU 32 5.948 -7.291 10.638 264 2HG GLU 32 2HG GLU 32 5.019 -8.378 11.651 265 H ASP 33 H ASP 33 3.554 -9.785 10.622 266 HA ASP 33 HA ASP 33 3.242 -10.515 13.362 267 1HB ASP 33 1HB ASP 33 0.944 -10.723 12.007 268 2HB ASP 33 2HB ASP 33 1.682 -12.182 11.377 269 H LYS 34 H LYS 34 2.819 -13.430 12.253 270 HA LYS 34 HA LYS 34 5.138 -13.853 10.618 271 1HB LYS 34 1HB LYS 34 5.240 -14.239 13.560 272 2HB LYS 34 2HB LYS 34 5.870 -15.559 12.595 273 1HG LYS 34 1HG LYS 34 6.878 -13.217 11.353 274 2HG LYS 34 2HG LYS 34 7.019 -12.905 13.072 275 1HD LYS 34 1HD LYS 34 8.005 -15.476 11.754 276 2HD LYS 34 2HD LYS 34 9.028 -14.076 12.010 277 1HE LYS 34 1HE LYS 34 7.499 -15.411 14.287 278 2HE LYS 34 2HE LYS 34 9.113 -15.912 13.824 279 1HZ LYS 34 1HZ LYS 34 9.106 -13.151 14.049 280 2HZ LYS 34 2HZ LYS 34 8.385 -13.745 15.388 281 3HZ LYS 34 3HZ LYS 34 9.890 -14.234 14.987 282 H ARG 35 H ARG 35 2.480 -14.248 10.012 283 HA ARG 35 HA ARG 35 2.505 -16.958 9.415 284 1HB ARG 35 1HB ARG 35 1.385 -16.364 11.982 285 2HB ARG 35 2HB ARG 35 0.023 -16.706 10.933 286 1HG ARG 35 1HG ARG 35 0.506 -18.927 10.886 287 2HG ARG 35 2HG ARG 35 2.174 -18.623 10.440 288 1HD ARG 35 1HD ARG 35 2.406 -19.666 12.544 289 2HD ARG 35 2HD ARG 35 2.510 -17.968 12.963 290 HE ARG 35 HE ARG 35 0.382 -18.086 13.992 291 1HH1 ARG 35 1HH1 ARG 35 1.073 -21.061 12.244 292 2HH1 ARG 35 2HH1 ARG 35 -0.249 -21.932 12.947 293 1HH2 ARG 35 1HH2 ARG 35 -1.362 -19.235 14.920 294 2HH2 ARG 35 2HH2 ARG 35 -1.643 -20.886 14.480 295 H LYS 36 H LYS 36 0.731 -13.886 9.869 296 HA LYS 36 HA LYS 36 -0.378 -14.185 7.219 297 1HB LYS 36 1HB LYS 36 -2.659 -13.931 7.817 298 2HB LYS 36 2HB LYS 36 -2.036 -15.261 8.773 299 1HG LYS 36 1HG LYS 36 -1.532 -12.964 10.349 300 2HG LYS 36 2HG LYS 36 -3.121 -12.683 9.666 301 1HD LYS 36 1HD LYS 36 -2.500 -15.404 10.833 302 2HD LYS 36 2HD LYS 36 -2.832 -14.075 11.926 303 1HE LYS 36 1HE LYS 36 -5.028 -14.641 11.625 304 2HE LYS 36 2HE LYS 36 -4.889 -13.762 10.115 305 1HZ LYS 36 1HZ LYS 36 -4.163 -16.589 10.260 306 2HZ LYS 36 2HZ LYS 36 -5.717 -16.135 10.045 307 3HZ LYS 36 3HZ LYS 36 -4.583 -15.712 8.948 308 HA PRO 37 HA PRO 37 0.982 -10.033 8.588 309 1HB PRO 37 1HB PRO 37 3.258 -9.785 7.096 310 2HB PRO 37 2HB PRO 37 3.263 -10.286 8.775 311 1HG PRO 37 1HG PRO 37 3.660 -11.929 6.350 312 2HG PRO 37 2HG PRO 37 4.074 -12.305 8.011 313 1HD PRO 37 1HD PRO 37 1.841 -13.323 6.526 314 2HD PRO 37 2HD PRO 37 2.190 -13.606 8.220 315 H TYR 38 H TYR 38 1.766 -8.096 6.986 316 HA TYR 38 HA TYR 38 -0.385 -8.111 5.059 317 1HB TYR 38 1HB TYR 38 1.836 -6.061 5.631 318 2HB TYR 38 2HB TYR 38 0.268 -5.717 4.928 319 HD1 TYR 38 HD1 TYR 38 2.167 -5.913 7.961 320 HD2 TYR 38 HD2 TYR 38 -1.817 -6.068 6.408 321 HE1 TYR 38 HE1 TYR 38 1.239 -5.387 10.269 322 HE2 TYR 38 HE2 TYR 38 -2.731 -5.542 8.721 323 HH TYR 38 HH TYR 38 -1.279 -4.175 10.962 324 H SER 39 H SER 39 1.035 -10.067 4.054 325 HA SER 39 HA SER 39 3.318 -9.463 2.660 326 1HB SER 39 1HB SER 39 1.336 -11.389 1.468 327 2HB SER 39 2HB SER 39 3.067 -11.566 1.672 328 HG SER 39 HG SER 39 2.441 -12.814 3.321 329 H ASP 40 H ASP 40 3.435 -9.535 0.109 330 HA ASP 40 HA ASP 40 2.514 -7.252 -0.896 331 1HB ASP 40 1HB ASP 40 2.496 -8.704 -3.179 332 2HB ASP 40 2HB ASP 40 3.980 -8.241 -2.371 333 H GLN 41 H GLN 41 0.870 -10.463 -0.810 334 HA GLN 41 HA GLN 41 -1.266 -9.731 -2.449 335 1HB GLN 41 1HB GLN 41 -1.854 -11.907 -2.182 336 2HB GLN 41 2HB GLN 41 -0.352 -12.072 -1.295 337 1HG GLN 41 1HG GLN 41 -2.007 -12.955 0.176 338 2HG GLN 41 2HG GLN 41 -1.670 -11.356 0.810 339 1HE2 GLN 41 1HE2 GLN 41 -3.567 -10.891 1.732 340 2HE2 GLN 41 2HE2 GLN 41 -5.080 -10.728 0.903 341 H GLU 42 H GLU 42 -0.749 -9.687 1.124 342 HA GLU 42 HA GLU 42 -3.357 -8.967 1.753 343 1HB GLU 42 1HB GLU 42 -1.726 -9.890 3.383 344 2HB GLU 42 2HB GLU 42 -0.765 -8.430 3.268 345 1HG GLU 42 1HG GLU 42 -2.327 -7.130 4.438 346 2HG GLU 42 2HG GLU 42 -3.685 -8.128 3.956 347 H ILE 43 H ILE 43 -0.401 -6.854 1.990 348 HA ILE 43 HA ILE 43 -1.598 -4.472 2.285 349 HB ILE 43 HB ILE 43 0.946 -5.455 1.324 350 1HG1 ILE 43 1HG1 ILE 43 0.796 -2.769 2.512 351 2HG1 ILE 43 2HG1 ILE 43 -0.039 -3.993 3.448 352 1HG2 ILE 43 1HG2 ILE 43 1.695 -3.558 0.065 353 2HG2 ILE 43 2HG2 ILE 43 0.243 -4.217 -0.726 354 3HG2 ILE 43 3HG2 ILE 43 0.127 -2.740 0.261 355 1HD1 ILE 43 1HD1 ILE 43 2.799 -3.547 3.220 356 2HD1 ILE 43 2HD1 ILE 43 1.947 -4.745 4.224 357 3HD1 ILE 43 3HD1 ILE 43 2.431 -5.160 2.562 358 H ALA 44 H ALA 44 -1.131 -6.253 -0.819 359 HA ALA 44 HA ALA 44 -2.090 -4.270 -2.501 360 1HB ALA 44 1HB ALA 44 -2.230 -7.305 -2.696 361 2HB ALA 44 2HB ALA 44 -2.524 -6.185 -4.047 362 3HB ALA 44 3HB ALA 44 -0.916 -6.260 -3.287 363 H ASN 45 H ASN 45 -3.806 -6.861 -0.657 364 HA ASN 45 HA ASN 45 -6.301 -6.268 -1.744 365 1HB ASN 45 1HB ASN 45 -5.282 -7.761 0.684 366 2HB ASN 45 2HB ASN 45 -6.994 -7.391 0.616 367 1HD2 ASN 45 1HD2 ASN 45 -4.360 -9.179 -0.748 368 2HD2 ASN 45 2HD2 ASN 45 -5.266 -10.229 -1.785 369 H ILE 46 H ILE 46 -4.422 -5.136 1.109 370 HA ILE 46 HA ILE 46 -6.398 -3.851 2.521 371 HB ILE 46 HB ILE 46 -3.460 -3.642 2.251 372 1HG1 ILE 46 1HG1 ILE 46 -5.384 -3.941 4.574 373 2HG1 ILE 46 2HG1 ILE 46 -4.458 -5.216 3.807 374 1HG2 ILE 46 1HG2 ILE 46 -3.547 -1.376 2.331 375 2HG2 ILE 46 2HG2 ILE 46 -5.173 -1.347 3.055 376 3HG2 ILE 46 3HG2 ILE 46 -3.753 -1.703 4.068 377 1HD1 ILE 46 1HD1 ILE 46 -2.780 -4.795 5.266 378 2HD1 ILE 46 2HD1 ILE 46 -2.557 -3.212 4.483 379 3HD1 ILE 46 3HD1 ILE 46 -3.634 -3.364 5.892 380 H LEU 47 H LEU 47 -4.467 -2.700 -0.303 381 HA LEU 47 HA LEU 47 -5.298 -0.095 -0.350 382 1HB LEU 47 1HB LEU 47 -4.381 -0.004 -2.416 383 2HB LEU 47 2HB LEU 47 -3.638 -1.472 -1.815 384 HG LEU 47 HG LEU 47 -5.779 -2.575 -2.999 385 1HD1 LEU 47 1HD1 LEU 47 -6.970 -1.025 -4.090 386 2HD1 LEU 47 2HD1 LEU 47 -5.647 0.166 -4.055 387 3HD1 LEU 47 3HD1 LEU 47 -5.670 -1.103 -5.303 388 1HD2 LEU 47 1HD2 LEU 47 -4.283 -3.461 -4.434 389 2HD2 LEU 47 2HD2 LEU 47 -3.652 -1.873 -4.934 390 3HD2 LEU 47 3HD2 LEU 47 -3.107 -2.605 -3.406 391 H LYS 48 H LYS 48 -7.057 -3.063 -1.250 392 HA LYS 48 HA LYS 48 -9.105 -1.905 -2.709 393 1HB LYS 48 1HB LYS 48 -8.560 -4.357 -2.427 394 2HB LYS 48 2HB LYS 48 -9.342 -4.293 -0.861 395 1HG LYS 48 1HG LYS 48 -11.274 -3.100 -2.404 396 2HG LYS 48 2HG LYS 48 -10.550 -4.163 -3.594 397 1HD LYS 48 1HD LYS 48 -11.855 -5.812 -2.728 398 2HD LYS 48 2HD LYS 48 -10.758 -5.826 -1.362 399 1HE LYS 48 1HE LYS 48 -12.410 -3.681 -0.730 400 2HE LYS 48 2HE LYS 48 -13.525 -4.757 -1.549 401 1HZ LYS 48 1HZ LYS 48 -12.235 -6.454 0.015 402 2HZ LYS 48 2HZ LYS 48 -12.165 -5.117 0.950 403 3HZ LYS 48 3HZ LYS 48 -13.611 -5.693 0.457 404 H GLU 49 H GLU 49 -8.346 -1.778 0.724 405 HA GLU 49 HA GLU 49 -10.680 -1.441 1.932 406 1HB GLU 49 1HB GLU 49 -8.050 0.021 2.239 407 2HB GLU 49 2HB GLU 49 -9.408 0.475 3.249 408 1HG GLU 49 1HG GLU 49 -9.322 -2.380 3.289 409 2HG GLU 49 2HG GLU 49 -7.663 -1.847 3.469 410 H LYS 50 H LYS 50 -9.258 0.698 -0.504 411 HA LYS 50 HA LYS 50 -11.724 2.023 -0.873 412 1HB LYS 50 1HB LYS 50 -10.588 3.106 1.252 413 2HB LYS 50 2HB LYS 50 -9.607 3.934 0.060 414 1HG LYS 50 1HG LYS 50 -12.345 4.037 -0.842 415 2HG LYS 50 2HG LYS 50 -12.326 4.502 0.847 416 1HD LYS 50 1HD LYS 50 -11.759 6.571 0.055 417 2HD LYS 50 2HD LYS 50 -10.143 5.904 -0.072 418 1HE LYS 50 1HE LYS 50 -10.419 5.402 -2.418 419 2HE LYS 50 2HE LYS 50 -12.154 5.637 -2.344 420 1HZ LYS 50 1HZ LYS 50 -11.810 7.946 -1.955 421 2HZ LYS 50 2HZ LYS 50 -10.190 7.767 -1.858 422 3HZ LYS 50 3HZ LYS 50 -10.954 7.524 -3.280 423 H GLY 51 H GLY 51 -8.174 1.846 -1.328 424 1HA GLY 51 1HA GLY 51 -7.490 1.365 -3.618 425 2HA GLY 51 2HA GLY 51 -8.613 2.598 -4.157 426 H PHE 52 H PHE 52 -5.509 1.966 -2.528 427 HA PHE 52 HA PHE 52 -4.967 4.785 -2.237 428 1HB PHE 52 1HB PHE 52 -3.894 2.117 -1.426 429 2HB PHE 52 2HB PHE 52 -2.624 3.259 -1.817 430 HD1 PHE 52 HD1 PHE 52 -3.818 5.793 -0.843 431 HD2 PHE 52 HD2 PHE 52 -3.790 1.919 0.890 432 HE1 PHE 52 HE1 PHE 52 -4.033 6.813 1.441 433 HE2 PHE 52 HE2 PHE 52 -4.006 2.939 3.173 434 HZ PHE 52 HZ PHE 52 -4.125 5.373 3.422 435 H LYS 53 H LYS 53 -5.025 2.712 -4.843 436 HA LYS 53 HA LYS 53 -4.293 3.076 -6.924 437 1HB LYS 53 1HB LYS 53 -3.920 5.507 -6.114 438 2HB LYS 53 2HB LYS 53 -2.231 5.062 -5.974 439 1HG LYS 53 1HG LYS 53 -2.017 5.486 -8.192 440 2HG LYS 53 2HG LYS 53 -2.979 4.053 -8.496 441 1HD LYS 53 1HD LYS 53 -5.037 5.679 -8.050 442 2HD LYS 53 2HD LYS 53 -3.874 6.945 -8.392 443 1HE LYS 53 1HE LYS 53 -3.966 4.632 -10.314 444 2HE LYS 53 2HE LYS 53 -5.328 5.735 -10.337 445 1HZ LYS 53 1HZ LYS 53 -4.005 7.457 -10.980 446 2HZ LYS 53 2HZ LYS 53 -2.633 6.831 -10.352 447 3HZ LYS 53 3HZ LYS 53 -3.248 6.224 -11.738 448 H VAL 54 H VAL 54 -3.616 0.862 -5.559 449 HA VAL 54 HA VAL 54 -0.795 0.511 -6.293 450 HB VAL 54 HB VAL 54 -1.850 -1.174 -4.119 451 1HG1 VAL 54 1HG1 VAL 54 0.525 -1.095 -5.046 452 2HG1 VAL 54 2HG1 VAL 54 0.689 0.473 -4.219 453 3HG1 VAL 54 3HG1 VAL 54 0.359 -1.000 -3.276 454 1HG2 VAL 54 1HG2 VAL 54 -1.587 0.540 -2.380 455 2HG2 VAL 54 2HG2 VAL 54 -1.324 1.778 -3.632 456 3HG2 VAL 54 3HG2 VAL 54 -2.899 0.959 -3.508 457 H ALA 55 H ALA 55 -0.455 -2.130 -6.225 458 HA ALA 55 HA ALA 55 -2.619 -3.712 -6.992 459 1HB ALA 55 1HB ALA 55 -1.297 -3.635 -9.501 460 2HB ALA 55 2HB ALA 55 -2.960 -3.121 -9.132 461 3HB ALA 55 3HB ALA 55 -1.627 -1.943 -9.059 462 H ARG 56 H ARG 56 -1.921 -5.903 -7.477 463 HA ARG 56 HA ARG 56 0.008 -6.886 -6.053 464 1HB ARG 56 1HB ARG 56 -1.324 -7.721 -8.536 465 2HB ARG 56 2HB ARG 56 0.290 -8.397 -8.442 466 1HG ARG 56 1HG ARG 56 -0.207 -9.710 -6.598 467 2HG ARG 56 2HG ARG 56 -1.309 -8.530 -5.915 468 1HD ARG 56 1HD ARG 56 -2.641 -10.430 -6.631 469 2HD ARG 56 2HD ARG 56 -2.982 -9.114 -7.736 470 HE ARG 56 HE ARG 56 -2.006 -10.347 -9.468 471 1HH1 ARG 56 1HH1 ARG 56 -0.976 -11.689 -6.383 472 2HH1 ARG 56 2HH1 ARG 56 -0.183 -13.054 -7.096 473 1HH2 ARG 56 1HH2 ARG 56 -0.961 -12.148 -10.410 474 2HH2 ARG 56 2HH2 ARG 56 -0.174 -13.317 -9.402 475 H ARG 57 H ARG 57 0.485 -5.585 -9.401 476 HA ARG 57 HA ARG 57 3.151 -6.234 -9.599 477 1HB ARG 57 1HB ARG 57 1.815 -5.520 -11.540 478 2HB ARG 57 2HB ARG 57 1.556 -3.937 -10.835 479 1HG ARG 57 1HG ARG 57 3.323 -3.497 -12.313 480 2HG ARG 57 2HG ARG 57 4.190 -3.773 -10.815 481 1HD ARG 57 1HD ARG 57 5.232 -5.619 -11.652 482 2HD ARG 57 2HD ARG 57 3.720 -6.309 -12.210 483 HE ARG 57 HE ARG 57 4.698 -4.079 -13.860 484 1HH1 ARG 57 1HH1 ARG 57 4.731 -7.562 -13.358 485 2HH1 ARG 57 2HH1 ARG 57 5.180 -7.922 -14.992 486 1HH2 ARG 57 1HH2 ARG 57 5.291 -4.553 -16.015 487 2HH2 ARG 57 2HH2 ARG 57 5.501 -6.199 -16.513 488 H THR 58 H THR 58 1.552 -3.115 -8.615 489 HA THR 58 HA THR 58 3.928 -1.747 -8.042 490 HB THR 58 HB THR 58 0.983 -1.486 -7.369 491 HG1 THR 58 HG1 THR 58 1.307 0.054 -8.965 492 1HG2 THR 58 1HG2 THR 58 2.495 -0.650 -5.386 493 2HG2 THR 58 2HG2 THR 58 3.059 0.582 -6.540 494 3HG2 THR 58 3HG2 THR 58 1.338 0.503 -6.093 495 H VAL 59 H VAL 59 1.811 -3.821 -5.997 496 HA VAL 59 HA VAL 59 3.184 -3.282 -3.612 497 HB VAL 59 HB VAL 59 1.795 -5.873 -4.229 498 1HG1 VAL 59 1HG1 VAL 59 1.924 -4.081 -1.780 499 2HG1 VAL 59 2HG1 VAL 59 0.966 -5.576 -1.904 500 3HG1 VAL 59 3HG1 VAL 59 2.742 -5.646 -2.006 501 1HG2 VAL 59 1HG2 VAL 59 0.681 -3.201 -4.557 502 2HG2 VAL 59 2HG2 VAL 59 -0.020 -4.788 -4.957 503 3HG2 VAL 59 3HG2 VAL 59 -0.187 -4.130 -3.311 504 H ALA 60 H ALA 60 3.540 -5.844 -6.139 505 HA ALA 60 HA ALA 60 5.479 -7.341 -4.859 506 1HB ALA 60 1HB ALA 60 4.304 -8.102 -6.848 507 2HB ALA 60 2HB ALA 60 4.999 -6.777 -7.812 508 3HB ALA 60 3HB ALA 60 6.050 -8.071 -7.189 509 H LYS 61 H LYS 61 5.746 -4.384 -6.909 510 HA LYS 61 HA LYS 61 8.550 -4.380 -6.996 511 1HB LYS 61 1HB LYS 61 6.362 -2.418 -7.562 512 2HB LYS 61 2HB LYS 61 7.997 -1.809 -7.403 513 1HG LYS 61 1HG LYS 61 8.101 -4.202 -9.017 514 2HG LYS 61 2HG LYS 61 6.815 -3.190 -9.644 515 1HD LYS 61 1HD LYS 61 8.643 -1.249 -9.357 516 2HD LYS 61 2HD LYS 61 9.768 -2.590 -9.429 517 1HE LYS 61 1HE LYS 61 8.709 -3.333 -11.593 518 2HE LYS 61 2HE LYS 61 7.640 -1.946 -11.527 519 1HZ LYS 61 1HZ LYS 61 9.893 -0.701 -11.272 520 2HZ LYS 61 2HZ LYS 61 10.492 -2.021 -12.024 521 3HZ LYS 61 3HZ LYS 61 9.335 -1.124 -12.747 522 H TYR 62 H TYR 62 6.148 -2.882 -4.755 523 HA TYR 62 HA TYR 62 8.079 -1.515 -3.224 524 1HB TYR 62 1HB TYR 62 5.208 -2.536 -2.960 525 2HB TYR 62 2HB TYR 62 5.975 -1.828 -1.553 526 HD1 TYR 62 HD1 TYR 62 6.124 -0.839 -5.169 527 HD2 TYR 62 HD2 TYR 62 4.976 0.245 -1.193 528 HE1 TYR 62 HE1 TYR 62 5.482 1.483 -5.980 529 HE2 TYR 62 HE2 TYR 62 4.337 2.563 -2.018 530 HH TYR 62 HH TYR 62 5.253 4.007 -4.216 531 H ARG 63 H ARG 63 6.556 -4.774 -2.984 532 HA ARG 63 HA ARG 63 7.236 -5.491 -0.518 533 1HB ARG 63 1HB ARG 63 6.112 -6.884 -2.378 534 2HB ARG 63 2HB ARG 63 7.721 -7.305 -2.929 535 1HG ARG 63 1HG ARG 63 7.509 -7.704 -0.040 536 2HG ARG 63 2HG ARG 63 6.224 -8.565 -0.864 537 1HD ARG 63 1HD ARG 63 7.704 -10.178 -1.461 538 2HD ARG 63 2HD ARG 63 8.590 -9.004 -2.414 539 HE ARG 63 HE ARG 63 9.386 -8.550 0.244 540 1HH1 ARG 63 1HH1 ARG 63 9.490 -11.235 -2.028 541 2HH1 ARG 63 2HH1 ARG 63 10.919 -11.930 -1.339 542 1HH2 ARG 63 1HH2 ARG 63 11.271 -9.466 1.154 543 2HH2 ARG 63 2HH2 ARG 63 11.939 -10.916 0.484 544 H GLU 64 H GLU 64 9.396 -5.325 -3.397 545 HA GLU 64 HA GLU 64 11.584 -6.514 -2.110 546 1HB GLU 64 1HB GLU 64 11.048 -6.071 -4.674 547 2HB GLU 64 2HB GLU 64 11.898 -4.564 -4.398 548 1HG GLU 64 1HG GLU 64 13.844 -5.895 -3.457 549 2HG GLU 64 2HG GLU 64 12.999 -7.368 -3.888 550 H MET 65 H MET 65 10.420 -3.141 -2.515 551 HA MET 65 HA MET 65 12.751 -1.956 -1.522 552 1HB MET 65 1HB MET 65 9.901 -1.167 -2.098 553 2HB MET 65 2HB MET 65 10.767 -0.120 -0.992 554 1HG MET 65 1HG MET 65 11.333 0.870 -3.033 555 2HG MET 65 2HG MET 65 12.687 -0.225 -2.833 556 1HE MET 65 1HE MET 65 9.100 0.066 -3.987 557 2HE MET 65 2HE MET 65 9.914 0.813 -5.383 558 3HE MET 65 3HE MET 65 9.059 -0.736 -5.576 559 H LEU 66 H LEU 66 9.743 -3.190 -0.011 560 HA LEU 66 HA LEU 66 10.477 -2.114 2.560 561 1HB LEU 66 1HB LEU 66 8.210 -3.883 1.637 562 2HB LEU 66 2HB LEU 66 8.424 -3.341 3.290 563 HG LEU 66 HG LEU 66 6.908 -1.805 2.535 564 1HD1 LEU 66 1HD1 LEU 66 9.495 -0.472 1.691 565 2HD1 LEU 66 2HD1 LEU 66 7.986 0.332 2.189 566 3HD1 LEU 66 3HD1 LEU 66 8.915 -0.626 3.367 567 1HD2 LEU 66 1HD2 LEU 66 7.114 -2.778 0.147 568 2HD2 LEU 66 2HD2 LEU 66 6.528 -1.110 0.351 569 3HD2 LEU 66 3HD2 LEU 66 8.211 -1.407 -0.147 570 H GLY 67 H GLY 67 9.915 -5.444 1.203 571 1HA GLY 67 1HA GLY 67 11.888 -6.421 3.182 572 2HA GLY 67 2HA GLY 67 10.475 -7.319 2.663 Start of MODEL 12 1 1H THR 1 1H THR 1 -28.798 35.000 -15.531 2 HA THR 1 HA THR 1 -26.918 35.512 -17.574 3 HB THR 1 HB THR 1 -27.774 37.796 -17.542 4 HG1 THR 1 HG1 THR 1 -25.779 38.769 -16.676 5 1HG2 THR 1 1HG2 THR 1 -27.864 39.130 -15.474 6 2HG2 THR 1 2HG2 THR 1 -28.888 37.690 -15.259 7 3HG2 THR 1 3HG2 THR 1 -27.269 37.750 -14.521 8 H TYR 2 H TYR 2 -26.735 33.400 -16.177 9 HA TYR 2 HA TYR 2 -24.403 33.710 -14.653 10 1HB TYR 2 1HB TYR 2 -25.309 33.406 -12.428 11 2HB TYR 2 2HB TYR 2 -26.397 34.577 -13.147 12 HD1 TYR 2 HD1 TYR 2 -28.375 33.292 -14.608 13 HD2 TYR 2 HD2 TYR 2 -26.345 31.773 -11.162 14 HE1 TYR 2 HE1 TYR 2 -30.342 31.758 -14.117 15 HE2 TYR 2 HE2 TYR 2 -28.318 30.244 -10.682 16 HH TYR 2 HH TYR 2 -30.803 30.299 -11.201 17 H SER 3 H SER 3 -23.670 31.588 -13.717 18 HA SER 3 HA SER 3 -25.161 29.284 -14.181 19 1HB SER 3 1HB SER 3 -23.982 28.302 -16.074 20 2HB SER 3 2HB SER 3 -24.663 29.839 -16.570 21 HG SER 3 HG SER 3 -22.597 30.822 -16.384 22 H LEU 4 H LEU 4 -23.741 27.264 -13.788 23 HA LEU 4 HA LEU 4 -21.093 27.552 -12.931 24 1HB LEU 4 1HB LEU 4 -22.494 28.815 -11.139 25 2HB LEU 4 2HB LEU 4 -22.932 27.211 -10.587 26 HG LEU 4 HG LEU 4 -20.088 27.289 -10.915 27 1HD1 LEU 4 1HD1 LEU 4 -21.285 29.751 -9.741 28 2HD1 LEU 4 2HD1 LEU 4 -19.873 29.042 -8.921 29 3HD1 LEU 4 3HD1 LEU 4 -19.761 29.521 -10.632 30 1HD2 LEU 4 1HD2 LEU 4 -21.870 26.094 -9.267 31 2HD2 LEU 4 2HD2 LEU 4 -20.123 26.198 -8.946 32 3HD2 LEU 4 3HD2 LEU 4 -21.237 27.363 -8.191 33 H ARG 5 H ARG 5 -20.440 25.466 -11.622 34 HA ARG 5 HA ARG 5 -22.124 23.302 -11.611 35 1HB ARG 5 1HB ARG 5 -21.299 21.989 -13.561 36 2HB ARG 5 2HB ARG 5 -22.094 23.459 -14.087 37 1HG ARG 5 1HG ARG 5 -20.060 24.516 -14.676 38 2HG ARG 5 2HG ARG 5 -19.104 23.497 -13.618 39 1HD ARG 5 1HD ARG 5 -19.489 21.543 -15.105 40 2HD ARG 5 2HD ARG 5 -20.524 22.508 -16.139 41 HE ARG 5 HE ARG 5 -17.975 23.813 -15.866 42 1HH1 ARG 5 1HH1 ARG 5 -19.468 21.028 -17.413 43 2HH1 ARG 5 2HH1 ARG 5 -18.323 20.974 -18.711 44 1HH2 ARG 5 1HH2 ARG 5 -16.464 23.743 -17.578 45 2HH2 ARG 5 2HH2 ARG 5 -16.602 22.529 -18.806 46 H THR 6 H THR 6 -20.744 21.148 -11.415 47 HA THR 6 HA THR 6 -17.954 21.544 -10.840 48 HB THR 6 HB THR 6 -20.007 21.065 -8.618 49 HG1 THR 6 HG1 THR 6 -19.619 23.287 -9.027 50 1HG2 THR 6 1HG2 THR 6 -18.059 19.644 -8.137 51 2HG2 THR 6 2HG2 THR 6 -16.947 20.950 -8.612 52 3HG2 THR 6 3HG2 THR 6 -17.934 21.113 -7.140 53 H PHE 7 H PHE 7 -16.943 19.441 -10.055 54 HA PHE 7 HA PHE 7 -18.507 17.095 -10.610 55 1HB PHE 7 1HB PHE 7 -17.090 16.414 -12.514 56 2HB PHE 7 2HB PHE 7 -17.707 18.016 -12.864 57 HD1 PHE 7 HD1 PHE 7 -16.187 20.011 -12.397 58 HD2 PHE 7 HD2 PHE 7 -14.778 16.008 -12.459 59 HE1 PHE 7 HE1 PHE 7 -13.842 20.841 -12.730 60 HE2 PHE 7 HE2 PHE 7 -12.433 16.839 -12.792 61 HZ PHE 7 HZ PHE 7 -11.993 19.245 -12.923 62 H PHE 8 H PHE 8 -17.814 15.470 -9.287 63 HA PHE 8 HA PHE 8 -15.160 14.852 -8.819 64 1HB PHE 8 1HB PHE 8 -15.782 17.202 -7.540 65 2HB PHE 8 2HB PHE 8 -16.388 16.084 -6.333 66 HD1 PHE 8 HD1 PHE 8 -13.340 16.931 -8.281 67 HD2 PHE 8 HD2 PHE 8 -14.926 15.090 -4.802 68 HE1 PHE 8 HE1 PHE 8 -11.018 16.660 -7.365 69 HE2 PHE 8 HE2 PHE 8 -12.605 14.819 -3.887 70 HZ PHE 8 HZ PHE 8 -10.679 15.608 -5.179 71 H VAL 9 H VAL 9 -14.919 13.078 -7.241 72 HA VAL 9 HA VAL 9 -17.410 12.079 -6.129 73 HB VAL 9 HB VAL 9 -15.712 10.573 -8.127 74 1HG1 VAL 9 1HG1 VAL 9 -18.123 9.198 -7.304 75 2HG1 VAL 9 2HG1 VAL 9 -16.435 8.634 -7.291 76 3HG1 VAL 9 3HG1 VAL 9 -17.084 9.532 -5.898 77 1HG2 VAL 9 1HG2 VAL 9 -17.171 11.860 -9.400 78 2HG2 VAL 9 2HG2 VAL 9 -18.086 10.347 -9.192 79 3HG2 VAL 9 3HG2 VAL 9 -18.475 11.768 -8.192 80 H ARG 10 H ARG 10 -14.825 9.804 -6.580 81 HA ARG 10 HA ARG 10 -13.086 10.548 -4.625 82 1HB ARG 10 1HB ARG 10 -13.818 9.041 -2.715 83 2HB ARG 10 2HB ARG 10 -14.864 10.425 -2.965 84 1HG ARG 10 1HG ARG 10 -15.936 8.433 -4.659 85 2HG ARG 10 2HG ARG 10 -15.480 7.561 -3.209 86 1HD ARG 10 1HD ARG 10 -17.031 8.665 -1.880 87 2HD ARG 10 2HD ARG 10 -16.882 10.172 -2.762 88 HE ARG 10 HE ARG 10 -18.608 9.487 -4.192 89 1HH1 ARG 10 1HH1 ARG 10 -17.384 6.697 -2.433 90 2HH1 ARG 10 2HH1 ARG 10 -18.629 5.633 -2.998 91 1HH2 ARG 10 1HH2 ARG 10 -20.251 8.086 -4.938 92 2HH2 ARG 10 2HH2 ARG 10 -20.271 6.429 -4.432 93 H GLU 11 H GLU 11 -11.586 9.504 -5.998 94 HA GLU 11 HA GLU 11 -11.577 6.647 -5.768 95 1HB GLU 11 1HB GLU 11 -11.373 6.228 -8.183 96 2HB GLU 11 2HB GLU 11 -12.905 7.002 -7.829 97 1HG GLU 11 1HG GLU 11 -12.210 9.093 -8.715 98 2HG GLU 11 2HG GLU 11 -10.508 8.709 -8.555 99 H SER 12 H SER 12 -9.444 5.720 -6.243 100 HA SER 12 HA SER 12 -7.273 5.712 -6.361 101 1HB SER 12 1HB SER 12 -7.938 8.063 -7.956 102 2HB SER 12 2HB SER 12 -6.421 8.317 -7.117 103 HG SER 12 HG SER 12 -6.811 6.895 -9.342 104 H ALA 13 H ALA 13 -5.273 6.600 -5.212 105 HA ALA 13 HA ALA 13 -5.949 7.354 -2.599 106 1HB ALA 13 1HB ALA 13 -3.298 7.387 -4.098 107 2HB ALA 13 2HB ALA 13 -3.478 7.535 -2.333 108 3HB ALA 13 3HB ALA 13 -3.965 6.033 -3.154 109 H GLU 14 H GLU 14 -4.499 9.341 -1.623 110 HA GLU 14 HA GLU 14 -5.728 11.615 -2.817 111 1HB GLU 14 1HB GLU 14 -5.026 12.801 -0.845 112 2HB GLU 14 2HB GLU 14 -5.536 11.209 -0.320 113 1HG GLU 14 1HG GLU 14 -3.482 10.774 0.535 114 2HG GLU 14 2HG GLU 14 -2.726 11.085 -1.015 115 H GLY 15 H GLY 15 -4.097 10.672 -4.768 116 1HA GLY 15 1HA GLY 15 -2.308 11.097 -6.075 117 2HA GLY 15 2HA GLY 15 -2.550 12.757 -5.570 118 H LEU 16 H LEU 16 -1.801 10.348 -3.097 119 HA LEU 16 HA LEU 16 0.318 11.707 -2.047 120 1HB LEU 16 1HB LEU 16 0.941 9.460 -1.061 121 2HB LEU 16 2HB LEU 16 -0.662 10.084 -0.724 122 HG LEU 16 HG LEU 16 -1.714 8.516 -2.121 123 1HD1 LEU 16 1HD1 LEU 16 -0.419 8.697 -4.118 124 2HD1 LEU 16 2HD1 LEU 16 1.006 7.976 -3.333 125 3HD1 LEU 16 3HD1 LEU 16 -0.439 6.983 -3.640 126 1HD2 LEU 16 1HD2 LEU 16 -1.043 6.386 -1.257 127 2HD2 LEU 16 2HD2 LEU 16 0.602 6.978 -0.921 128 3HD2 LEU 16 3HD2 LEU 16 -0.778 7.608 0.010 129 H THR 17 H THR 17 2.671 11.146 -2.002 130 HA THR 17 HA THR 17 3.579 10.781 -4.736 131 HB THR 17 HB THR 17 5.802 11.424 -3.526 132 HG1 THR 17 HG1 THR 17 5.505 11.891 -1.336 133 1HG2 THR 17 1HG2 THR 17 5.058 13.804 -3.111 134 2HG2 THR 17 2HG2 THR 17 4.519 13.191 -4.692 135 3HG2 THR 17 3HG2 THR 17 3.371 13.280 -3.335 136 H GLN 18 H GLN 18 5.369 9.337 -5.283 137 HA GLN 18 HA GLN 18 4.793 6.761 -4.578 138 1HB GLN 18 1HB GLN 18 6.879 6.164 -5.740 139 2HB GLN 18 2HB GLN 18 6.029 7.418 -6.621 140 1HG GLN 18 1HG GLN 18 8.068 8.469 -6.609 141 2HG GLN 18 2HG GLN 18 7.583 8.983 -5.006 142 1HE2 GLN 18 1HE2 GLN 18 9.175 6.342 -6.759 143 2HE2 GLN 18 2HE2 GLN 18 10.327 5.920 -5.537 144 H GLY 19 H GLY 19 6.940 9.146 -3.046 145 1HA GLY 19 1HA GLY 19 8.421 7.307 -1.459 146 2HA GLY 19 2HA GLY 19 8.284 9.040 -1.238 147 H GLU 20 H GLU 20 5.358 9.162 -1.044 148 HA GLU 20 HA GLU 20 5.148 8.649 1.691 149 1HB GLU 20 1HB GLU 20 3.618 9.973 -0.378 150 2HB GLU 20 2HB GLU 20 2.534 8.963 0.558 151 1HG GLU 20 1HG GLU 20 4.542 10.781 1.938 152 2HG GLU 20 2HG GLU 20 2.999 11.404 1.390 153 H LEU 21 H LEU 21 4.047 6.919 -1.257 154 HA LEU 21 HA LEU 21 2.368 5.094 0.027 155 1HB LEU 21 1HB LEU 21 2.834 5.715 -2.503 156 2HB LEU 21 2HB LEU 21 3.921 4.343 -2.408 157 HG LEU 21 HG LEU 21 1.965 3.402 -3.212 158 1HD1 LEU 21 1HD1 LEU 21 1.361 2.991 -0.298 159 2HD1 LEU 21 2HD1 LEU 21 1.328 1.826 -1.644 160 3HD1 LEU 21 3HD1 LEU 21 2.886 2.395 -0.997 161 1HD2 LEU 21 1HD2 LEU 21 -0.272 3.944 -2.576 162 2HD2 LEU 21 2HD2 LEU 21 0.291 4.909 -1.190 163 3HD2 LEU 21 3HD2 LEU 21 0.599 5.472 -2.851 164 H MET 22 H MET 22 5.909 5.149 -0.565 165 HA MET 22 HA MET 22 6.498 2.574 0.043 166 1HB MET 22 1HB MET 22 8.138 4.288 -0.737 167 2HB MET 22 2HB MET 22 7.992 5.152 0.781 168 1HG MET 22 1HG MET 22 10.044 3.638 0.593 169 2HG MET 22 2HG MET 22 9.061 3.376 2.020 170 1HE MET 22 1HE MET 22 8.122 2.299 -1.703 171 2HE MET 22 2HE MET 22 9.896 2.262 -1.564 172 3HE MET 22 3HE MET 22 8.988 0.745 -1.767 173 H LYS 23 H LYS 23 6.576 5.357 2.396 174 HA LYS 23 HA LYS 23 6.920 3.716 4.634 175 1HB LYS 23 1HB LYS 23 7.400 6.200 4.390 176 2HB LYS 23 2HB LYS 23 5.683 6.478 4.594 177 1HG LYS 23 1HG LYS 23 5.680 5.564 6.816 178 2HG LYS 23 2HG LYS 23 7.241 4.798 6.595 179 1HD LYS 23 1HD LYS 23 8.149 6.631 7.586 180 2HD LYS 23 2HD LYS 23 7.808 7.492 6.098 181 1HE LYS 23 1HE LYS 23 5.864 7.249 8.445 182 2HE LYS 23 2HE LYS 23 6.878 8.644 8.135 183 1HZ LYS 23 1HZ LYS 23 5.531 8.032 5.794 184 2HZ LYS 23 2HZ LYS 23 4.427 8.032 6.998 185 3HZ LYS 23 3HZ LYS 23 5.354 9.352 6.740 186 H LEU 24 H LEU 24 4.092 4.623 2.720 187 HA LEU 24 HA LEU 24 2.162 4.062 4.692 188 1HB LEU 24 1HB LEU 24 2.264 4.935 1.988 189 2HB LEU 24 2HB LEU 24 1.176 3.563 2.058 190 HG LEU 24 HG LEU 24 0.913 5.866 3.989 191 1HD1 LEU 24 1HD1 LEU 24 -1.039 6.317 2.110 192 2HD1 LEU 24 2HD1 LEU 24 0.491 7.215 2.257 193 3HD1 LEU 24 3HD1 LEU 24 0.361 5.862 1.108 194 1HD2 LEU 24 1HD2 LEU 24 -1.220 5.059 4.436 195 2HD2 LEU 24 2HD2 LEU 24 -1.292 4.115 2.928 196 3HD2 LEU 24 3HD2 LEU 24 -0.251 3.575 4.267 197 H ILE 25 H ILE 25 3.746 2.094 2.112 198 HA ILE 25 HA ILE 25 2.211 -0.213 2.664 199 HB ILE 25 HB ILE 25 4.607 0.483 1.048 200 1HG1 ILE 25 1HG1 ILE 25 1.981 -0.919 0.474 201 2HG1 ILE 25 2HG1 ILE 25 2.376 0.749 0.108 202 1HG2 ILE 25 1HG2 ILE 25 5.254 -1.589 2.267 203 2HG2 ILE 25 2HG2 ILE 25 3.826 -2.395 1.576 204 3HG2 ILE 25 3HG2 ILE 25 5.118 -1.801 0.505 205 1HD1 ILE 25 1HD1 ILE 25 4.478 -0.488 -1.123 206 2HD1 ILE 25 2HD1 ILE 25 3.236 -1.755 -1.273 207 3HD1 ILE 25 3HD1 ILE 25 2.937 -0.132 -1.940 208 H LYS 26 H LYS 26 5.466 0.962 3.704 209 HA LYS 26 HA LYS 26 6.076 -1.342 5.190 210 1HB LYS 26 1HB LYS 26 7.995 -0.216 4.851 211 2HB LYS 26 2HB LYS 26 7.198 1.341 4.749 212 1HG LYS 26 1HG LYS 26 7.240 1.677 7.086 213 2HG LYS 26 2HG LYS 26 7.347 -0.037 7.437 214 1HD LYS 26 1HD LYS 26 9.637 -0.076 7.230 215 2HD LYS 26 2HD LYS 26 9.636 1.006 5.852 216 1HE LYS 26 1HE LYS 26 10.310 2.681 7.224 217 2HE LYS 26 2HE LYS 26 8.755 2.603 8.028 218 1HZ LYS 26 1HZ LYS 26 10.284 0.505 8.971 219 2HZ LYS 26 2HZ LYS 26 11.234 1.833 9.014 220 3HZ LYS 26 3HZ LYS 26 9.796 1.833 9.787 221 H GLU 27 H GLU 27 4.191 1.607 5.856 222 HA GLU 27 HA GLU 27 4.175 1.465 8.593 223 1HB GLU 27 1HB GLU 27 2.637 2.788 6.484 224 2HB GLU 27 2HB GLU 27 1.601 2.356 7.830 225 1HG GLU 27 1HG GLU 27 2.686 3.775 9.315 226 2HG GLU 27 2HG GLU 27 4.248 3.567 8.549 227 H ILE 28 H ILE 28 2.215 -0.283 6.141 228 HA ILE 28 HA ILE 28 0.425 -1.415 8.008 229 HB ILE 28 HB ILE 28 1.128 -1.819 5.142 230 1HG1 ILE 28 1HG1 ILE 28 -1.679 -1.745 5.818 231 2HG1 ILE 28 2HG1 ILE 28 -0.844 -0.428 6.617 232 1HG2 ILE 28 1HG2 ILE 28 1.015 -4.105 5.903 233 2HG2 ILE 28 2HG2 ILE 28 -0.501 -3.782 6.777 234 3HG2 ILE 28 3HG2 ILE 28 -0.467 -3.712 4.999 235 1HD1 ILE 28 1HD1 ILE 28 -1.716 -0.238 4.072 236 2HD1 ILE 28 2HD1 ILE 28 -0.249 0.601 4.629 237 3HD1 ILE 28 3HD1 ILE 28 -0.113 -0.940 3.750 238 H VAL 29 H VAL 29 3.613 -2.356 6.667 239 HA VAL 29 HA VAL 29 3.500 -4.915 7.987 240 HB VAL 29 HB VAL 29 6.000 -3.764 6.839 241 1HG1 VAL 29 1HG1 VAL 29 6.453 -5.992 6.204 242 2HG1 VAL 29 2HG1 VAL 29 5.708 -6.117 7.816 243 3HG1 VAL 29 3HG1 VAL 29 4.747 -6.476 6.361 244 1HG2 VAL 29 1HG2 VAL 29 3.449 -4.088 5.353 245 2HG2 VAL 29 2HG2 VAL 29 4.855 -3.050 5.015 246 3HG2 VAL 29 3HG2 VAL 29 4.899 -4.777 4.585 247 H GLU 30 H GLU 30 3.802 -1.806 9.086 248 HA GLU 30 HA GLU 30 6.085 -2.060 10.706 249 1HB GLU 30 1HB GLU 30 4.568 0.039 9.906 250 2HB GLU 30 2HB GLU 30 3.868 -0.200 11.495 251 1HG GLU 30 1HG GLU 30 6.882 -0.035 11.080 252 2HG GLU 30 2HG GLU 30 5.905 1.400 11.320 253 H ASN 31 H ASN 31 2.689 -3.012 10.983 254 HA ASN 31 HA ASN 31 3.339 -4.071 13.612 255 1HB ASN 31 1HB ASN 31 0.790 -2.613 12.758 256 2HB ASN 31 2HB ASN 31 0.849 -3.624 14.189 257 1HD2 ASN 31 1HD2 ASN 31 2.344 -0.853 12.582 258 2HD2 ASN 31 2HD2 ASN 31 2.849 -0.005 14.005 259 H GLU 32 H GLU 32 3.649 -5.599 11.326 260 HA GLU 32 HA GLU 32 1.336 -6.765 10.345 261 1HB GLU 32 1HB GLU 32 2.814 -8.425 9.359 262 2HB GLU 32 2HB GLU 32 3.602 -6.862 9.272 263 1HG GLU 32 1HG GLU 32 5.293 -7.495 10.678 264 2HG GLU 32 2HG GLU 32 4.201 -8.301 11.787 265 H ASP 33 H ASP 33 2.099 -9.633 10.670 266 HA ASP 33 HA ASP 33 1.943 -10.130 13.464 267 1HB ASP 33 1HB ASP 33 -0.480 -9.623 12.352 268 2HB ASP 33 2HB ASP 33 -0.347 -11.313 11.909 269 H LYS 34 H LYS 34 2.033 -12.563 13.858 270 HA LYS 34 HA LYS 34 3.719 -13.816 12.003 271 1HB LYS 34 1HB LYS 34 2.524 -14.408 14.624 272 2HB LYS 34 2HB LYS 34 2.768 -15.832 13.632 273 1HG LYS 34 1HG LYS 34 4.830 -15.567 14.793 274 2HG LYS 34 2HG LYS 34 5.158 -14.946 13.187 275 1HD LYS 34 1HD LYS 34 5.227 -12.715 13.903 276 2HD LYS 34 2HD LYS 34 4.144 -12.998 15.251 277 1HE LYS 34 1HE LYS 34 5.916 -14.190 16.489 278 2HE LYS 34 2HE LYS 34 6.997 -14.086 15.113 279 1HZ LYS 34 1HZ LYS 34 6.025 -11.897 16.794 280 2HZ LYS 34 2HZ LYS 34 7.570 -12.335 16.494 281 3HZ LYS 34 3HZ LYS 34 6.684 -11.612 15.327 282 H ARG 35 H ARG 35 0.426 -14.926 13.070 283 HA ARG 35 HA ARG 35 0.191 -16.479 10.738 284 1HB ARG 35 1HB ARG 35 -1.427 -15.906 13.177 285 2HB ARG 35 2HB ARG 35 -2.385 -16.301 11.764 286 1HG ARG 35 1HG ARG 35 -1.668 -18.488 11.715 287 2HG ARG 35 2HG ARG 35 -0.026 -18.071 12.162 288 1HD ARG 35 1HD ARG 35 -0.451 -18.747 14.286 289 2HD ARG 35 2HD ARG 35 -1.632 -17.462 14.447 290 HE ARG 35 HE ARG 35 -2.188 -20.293 13.941 291 1HH1 ARG 35 1HH1 ARG 35 -3.444 -17.018 13.662 292 2HH1 ARG 35 2HH1 ARG 35 -5.102 -17.520 13.624 293 1HH2 ARG 35 1HH2 ARG 35 -4.375 -20.956 13.891 294 2HH2 ARG 35 2HH2 ARG 35 -5.634 -19.776 13.755 295 H LYS 36 H LYS 36 -0.037 -13.160 11.253 296 HA LYS 36 HA LYS 36 -1.719 -12.867 8.882 297 1HB LYS 36 1HB LYS 36 -2.267 -11.811 11.600 298 2HB LYS 36 2HB LYS 36 -2.456 -10.665 10.288 299 1HG LYS 36 1HG LYS 36 -4.498 -11.584 9.910 300 2HG LYS 36 2HG LYS 36 -3.664 -12.992 9.283 301 1HD LYS 36 1HD LYS 36 -4.676 -14.161 10.954 302 2HD LYS 36 2HD LYS 36 -3.517 -13.410 12.034 303 1HE LYS 36 1HE LYS 36 -5.116 -11.497 12.389 304 2HE LYS 36 2HE LYS 36 -6.279 -12.294 11.349 305 1HZ LYS 36 1HZ LYS 36 -5.479 -14.156 13.203 306 2HZ LYS 36 2HZ LYS 36 -5.742 -12.782 14.045 307 3HZ LYS 36 3HZ LYS 36 -6.928 -13.409 13.113 308 HA PRO 37 HA PRO 37 2.166 -10.636 8.506 309 1HB PRO 37 1HB PRO 37 2.832 -11.535 6.013 310 2HB PRO 37 2HB PRO 37 3.394 -12.296 7.487 311 1HG PRO 37 1HG PRO 37 1.304 -13.213 5.609 312 2HG PRO 37 2HG PRO 37 2.167 -14.134 6.825 313 1HD PRO 37 1HD PRO 37 -0.522 -13.152 7.003 314 2HD PRO 37 2HD PRO 37 0.381 -13.971 8.262 315 H TYR 38 H TYR 38 2.905 -9.662 5.964 316 HA TYR 38 HA TYR 38 0.532 -8.343 4.976 317 1HB TYR 38 1HB TYR 38 2.755 -7.146 6.673 318 2HB TYR 38 2HB TYR 38 2.151 -6.160 5.357 319 HD1 TYR 38 HD1 TYR 38 -0.763 -6.912 5.437 320 HD2 TYR 38 HD2 TYR 38 1.991 -5.997 8.580 321 HE1 TYR 38 HE1 TYR 38 -2.688 -6.137 6.907 322 HE2 TYR 38 HE2 TYR 38 0.057 -5.225 10.040 323 HH TYR 38 HH TYR 38 -3.001 -6.017 9.544 324 H SER 39 H SER 39 1.921 -10.161 3.544 325 HA SER 39 HA SER 39 4.139 -9.024 2.230 326 1HB SER 39 1HB SER 39 3.303 -11.022 0.545 327 2HB SER 39 2HB SER 39 4.320 -11.277 1.949 328 HG SER 39 HG SER 39 1.725 -12.109 1.493 329 H ASP 40 H ASP 40 4.076 -8.917 -0.339 330 HA ASP 40 HA ASP 40 2.704 -6.791 -1.112 331 1HB ASP 40 1HB ASP 40 2.754 -7.925 -3.491 332 2HB ASP 40 2HB ASP 40 4.264 -7.563 -2.678 333 H GLN 41 H GLN 41 1.568 -10.192 -0.962 334 HA GLN 41 HA GLN 41 -0.729 -9.901 -2.466 335 1HB GLN 41 1HB GLN 41 -0.335 -12.127 -2.067 336 2HB GLN 41 2HB GLN 41 0.341 -11.837 -0.477 337 1HG GLN 41 1HG GLN 41 -1.777 -13.049 -0.239 338 2HG GLN 41 2HG GLN 41 -1.959 -11.439 0.429 339 1HE2 GLN 41 1HE2 GLN 41 -4.239 -12.374 0.003 340 2HE2 GLN 41 2HE2 GLN 41 -5.001 -11.883 -1.473 341 H GLU 42 H GLU 42 -0.336 -9.847 1.155 342 HA GLU 42 HA GLU 42 -2.954 -9.151 1.660 343 1HB GLU 42 1HB GLU 42 -1.188 -10.013 3.295 344 2HB GLU 42 2HB GLU 42 -0.542 -8.385 3.356 345 1HG GLU 42 1HG GLU 42 -2.344 -9.159 5.139 346 2HG GLU 42 2HG GLU 42 -2.397 -7.530 4.494 347 H ILE 43 H ILE 43 -0.022 -6.991 1.822 348 HA ILE 43 HA ILE 43 -1.257 -4.621 2.180 349 HB ILE 43 HB ILE 43 1.268 -5.554 1.048 350 1HG1 ILE 43 1HG1 ILE 43 1.045 -3.001 2.545 351 2HG1 ILE 43 2HG1 ILE 43 0.458 -4.426 3.379 352 1HG2 ILE 43 1HG2 ILE 43 0.421 -4.119 -0.822 353 2HG2 ILE 43 2HG2 ILE 43 0.387 -2.752 0.317 354 3HG2 ILE 43 3HG2 ILE 43 1.930 -3.549 -0.070 355 1HD1 ILE 43 1HD1 ILE 43 3.178 -3.609 2.980 356 2HD1 ILE 43 2HD1 ILE 43 2.583 -5.060 3.822 357 3HD1 ILE 43 3HD1 ILE 43 2.937 -5.125 2.079 358 H ALA 44 H ALA 44 -0.722 -6.300 -0.984 359 HA ALA 44 HA ALA 44 -1.869 -4.328 -2.569 360 1HB ALA 44 1HB ALA 44 -1.671 -7.348 -2.896 361 2HB ALA 44 2HB ALA 44 -2.154 -6.229 -4.193 362 3HB ALA 44 3HB ALA 44 -0.523 -6.123 -3.489 363 H ASN 45 H ASN 45 -3.297 -7.054 -0.709 364 HA ASN 45 HA ASN 45 -5.844 -6.774 -1.808 365 1HB ASN 45 1HB ASN 45 -4.628 -8.119 0.598 366 2HB ASN 45 2HB ASN 45 -6.361 -7.866 0.646 367 1HD2 ASN 45 1HD2 ASN 45 -3.828 -8.907 -1.634 368 2HD2 ASN 45 2HD2 ASN 45 -4.690 -10.241 -2.326 369 H ILE 46 H ILE 46 -3.978 -5.007 0.585 370 HA ILE 46 HA ILE 46 -6.098 -4.014 2.147 371 HB ILE 46 HB ILE 46 -3.303 -3.003 1.626 372 1HG1 ILE 46 1HG1 ILE 46 -4.534 -4.833 3.677 373 2HG1 ILE 46 2HG1 ILE 46 -3.121 -5.090 2.674 374 1HG2 ILE 46 1HG2 ILE 46 -5.232 -2.128 3.793 375 2HG2 ILE 46 2HG2 ILE 46 -3.558 -1.571 3.558 376 3HG2 ILE 46 3HG2 ILE 46 -4.806 -1.177 2.351 377 1HD1 ILE 46 1HD1 ILE 46 -3.391 -3.241 5.074 378 2HD1 ILE 46 2HD1 ILE 46 -2.264 -4.601 4.852 379 3HD1 ILE 46 3HD1 ILE 46 -2.042 -3.099 3.922 380 H LEU 47 H LEU 47 -4.405 -2.820 -0.809 381 HA LEU 47 HA LEU 47 -5.659 -0.358 -0.950 382 1HB LEU 47 1HB LEU 47 -4.744 -0.183 -3.037 383 2HB LEU 47 2HB LEU 47 -3.689 -1.353 -2.269 384 HG LEU 47 HG LEU 47 -5.425 -3.059 -3.418 385 1HD1 LEU 47 1HD1 LEU 47 -5.347 -1.514 -5.818 386 2HD1 LEU 47 2HD1 LEU 47 -6.755 -2.176 -4.954 387 3HD1 LEU 47 3HD1 LEU 47 -6.145 -0.553 -4.550 388 1HD2 LEU 47 1HD2 LEU 47 -3.676 -3.670 -4.714 389 2HD2 LEU 47 2HD2 LEU 47 -3.375 -2.014 -5.291 390 3HD2 LEU 47 3HD2 LEU 47 -2.807 -2.512 -3.679 391 H LYS 48 H LYS 48 -6.757 -3.630 -1.892 392 HA LYS 48 HA LYS 48 -8.938 -2.884 -3.428 393 1HB LYS 48 1HB LYS 48 -8.292 -5.306 -1.753 394 2HB LYS 48 2HB LYS 48 -9.831 -5.169 -2.578 395 1HG LYS 48 1HG LYS 48 -8.631 -4.801 -4.748 396 2HG LYS 48 2HG LYS 48 -7.094 -4.952 -3.920 397 1HD LYS 48 1HD LYS 48 -7.669 -7.276 -3.236 398 2HD LYS 48 2HD LYS 48 -9.235 -7.130 -4.009 399 1HE LYS 48 1HE LYS 48 -7.149 -6.379 -5.901 400 2HE LYS 48 2HE LYS 48 -6.771 -7.944 -5.208 401 1HZ LYS 48 1HZ LYS 48 -9.267 -7.177 -6.547 402 2HZ LYS 48 2HZ LYS 48 -8.167 -8.271 -7.056 403 3HZ LYS 48 3HZ LYS 48 -9.081 -8.585 -5.740 404 H GLU 49 H GLU 49 -8.317 -2.511 -0.019 405 HA GLU 49 HA GLU 49 -10.948 -2.600 0.877 406 1HB GLU 49 1HB GLU 49 -8.573 -1.038 1.985 407 2HB GLU 49 2HB GLU 49 -10.058 -1.361 2.857 408 1HG GLU 49 1HG GLU 49 -9.024 -3.853 1.764 409 2HG GLU 49 2HG GLU 49 -7.752 -3.039 2.653 410 H LYS 50 H LYS 50 -9.673 -0.610 -1.449 411 HA LYS 50 HA LYS 50 -10.399 1.233 -2.427 412 1HB LYS 50 1HB LYS 50 -12.648 0.453 -2.178 413 2HB LYS 50 2HB LYS 50 -12.705 0.927 -0.492 414 1HG LYS 50 1HG LYS 50 -11.953 3.206 -2.170 415 2HG LYS 50 2HG LYS 50 -13.451 2.496 -2.738 416 1HD LYS 50 1HD LYS 50 -14.479 2.717 -0.530 417 2HD LYS 50 2HD LYS 50 -12.954 3.194 0.191 418 1HE LYS 50 1HE LYS 50 -13.821 5.311 -0.131 419 2HE LYS 50 2HE LYS 50 -13.091 5.115 -1.712 420 1HZ LYS 50 1HZ LYS 50 -15.078 5.029 -2.651 421 2HZ LYS 50 2HZ LYS 50 -15.694 3.987 -1.555 422 3HZ LYS 50 3HZ LYS 50 -15.691 5.590 -1.245 423 H GLY 51 H GLY 51 -8.353 1.327 -0.467 424 1HA GLY 51 1HA GLY 51 -8.882 3.928 0.839 425 2HA GLY 51 2HA GLY 51 -7.792 2.699 1.449 426 H PHE 52 H PHE 52 -7.050 2.159 -1.573 427 HA PHE 52 HA PHE 52 -5.749 4.550 -2.385 428 1HB PHE 52 1HB PHE 52 -4.190 2.183 -1.186 429 2HB PHE 52 2HB PHE 52 -3.425 3.478 -2.085 430 HD1 PHE 52 HD1 PHE 52 -3.896 5.903 -1.162 431 HD2 PHE 52 HD2 PHE 52 -4.312 2.348 1.118 432 HE1 PHE 52 HE1 PHE 52 -3.660 7.232 0.954 433 HE2 PHE 52 HE2 PHE 52 -4.076 3.678 3.234 434 HZ PHE 52 HZ PHE 52 -3.753 6.104 3.126 435 H LYS 53 H LYS 53 -4.214 4.048 -4.314 436 HA LYS 53 HA LYS 53 -5.641 2.258 -6.028 437 1HB LYS 53 1HB LYS 53 -4.849 4.435 -6.817 438 2HB LYS 53 2HB LYS 53 -3.188 3.981 -6.491 439 1HG LYS 53 1HG LYS 53 -3.633 1.943 -8.069 440 2HG LYS 53 2HG LYS 53 -5.071 2.809 -8.574 441 1HD LYS 53 1HD LYS 53 -3.777 3.966 -10.034 442 2HD LYS 53 2HD LYS 53 -3.035 4.762 -8.661 443 1HE LYS 53 1HE LYS 53 -1.138 3.846 -9.658 444 2HE LYS 53 2HE LYS 53 -1.549 2.546 -8.557 445 1HZ LYS 53 1HZ LYS 53 -2.458 1.317 -10.261 446 2HZ LYS 53 2HZ LYS 53 -2.652 2.594 -11.261 447 3HZ LYS 53 3HZ LYS 53 -1.159 1.994 -10.983 448 H VAL 54 H VAL 54 -2.197 2.323 -6.545 449 HA VAL 54 HA VAL 54 -0.652 0.745 -6.529 450 HB VAL 54 HB VAL 54 -1.808 -0.887 -4.375 451 1HG1 VAL 54 1HG1 VAL 54 0.389 -0.708 -3.447 452 2HG1 VAL 54 2HG1 VAL 54 0.577 -0.917 -5.205 453 3HG1 VAL 54 3HG1 VAL 54 0.778 0.693 -4.473 454 1HG2 VAL 54 1HG2 VAL 54 -2.808 0.976 -3.444 455 2HG2 VAL 54 2HG2 VAL 54 -1.181 1.072 -2.730 456 3HG2 VAL 54 3HG2 VAL 54 -1.605 2.099 -4.121 457 H ALA 55 H ALA 55 -0.511 -1.956 -6.326 458 HA ALA 55 HA ALA 55 -2.674 -3.455 -7.111 459 1HB ALA 55 1HB ALA 55 -3.006 -3.125 -9.316 460 2HB ALA 55 2HB ALA 55 -2.040 -1.640 -9.141 461 3HB ALA 55 3HB ALA 55 -1.259 -3.154 -9.657 462 H ARG 56 H ARG 56 -2.033 -5.654 -7.627 463 HA ARG 56 HA ARG 56 -0.064 -6.678 -6.297 464 1HB ARG 56 1HB ARG 56 -1.123 -7.464 -9.032 465 2HB ARG 56 2HB ARG 56 0.146 -8.423 -8.298 466 1HG ARG 56 1HG ARG 56 -1.280 -8.729 -6.254 467 2HG ARG 56 2HG ARG 56 -2.552 -7.791 -7.009 468 1HD ARG 56 1HD ARG 56 -1.404 -10.265 -8.365 469 2HD ARG 56 2HD ARG 56 -2.692 -10.392 -7.184 470 HE ARG 56 HE ARG 56 -3.471 -8.393 -9.046 471 1HH1 ARG 56 1HH1 ARG 56 -2.847 -11.856 -9.005 472 2HH1 ARG 56 2HH1 ARG 56 -3.944 -12.199 -10.301 473 1HH2 ARG 56 1HH2 ARG 56 -4.919 -8.844 -10.755 474 2HH2 ARG 56 2HH2 ARG 56 -5.131 -10.474 -11.302 475 H ARG 57 H ARG 57 0.303 -5.381 -9.664 476 HA ARG 57 HA ARG 57 2.957 -6.055 -9.947 477 1HB ARG 57 1HB ARG 57 0.965 -4.465 -11.353 478 2HB ARG 57 2HB ARG 57 2.485 -3.593 -11.351 479 1HG ARG 57 1HG ARG 57 2.029 -6.450 -12.326 480 2HG ARG 57 2HG ARG 57 2.392 -5.054 -13.321 481 1HD ARG 57 1HD ARG 57 4.564 -4.866 -11.807 482 2HD ARG 57 2HD ARG 57 4.225 -6.540 -11.415 483 HE ARG 57 HE ARG 57 4.046 -6.462 -14.192 484 1HH1 ARG 57 1HH1 ARG 57 6.514 -5.575 -11.845 485 2HH1 ARG 57 2HH1 ARG 57 7.833 -5.900 -12.919 486 1HH2 ARG 57 1HH2 ARG 57 5.787 -6.891 -15.609 487 2HH2 ARG 57 2HH2 ARG 57 7.417 -6.653 -15.074 488 H THR 58 H THR 58 1.397 -2.942 -8.896 489 HA THR 58 HA THR 58 3.787 -1.554 -8.445 490 HB THR 58 HB THR 58 0.883 -1.323 -7.593 491 HG1 THR 58 HG1 THR 58 1.154 -0.189 -9.474 492 1HG2 THR 58 1HG2 THR 58 2.453 -0.448 -5.708 493 2HG2 THR 58 2HG2 THR 58 3.034 0.733 -6.907 494 3HG2 THR 58 3HG2 THR 58 1.323 0.733 -6.414 495 H VAL 59 H VAL 59 1.723 -3.504 -6.206 496 HA VAL 59 HA VAL 59 3.232 -3.005 -3.930 497 HB VAL 59 HB VAL 59 1.874 -5.628 -4.458 498 1HG1 VAL 59 1HG1 VAL 59 2.946 -5.221 -2.269 499 2HG1 VAL 59 2HG1 VAL 59 1.917 -3.787 -2.043 500 3HG1 VAL 59 3HG1 VAL 59 1.181 -5.406 -2.129 501 1HG2 VAL 59 1HG2 VAL 59 0.671 -2.956 -4.703 502 2HG2 VAL 59 2HG2 VAL 59 0.059 -4.544 -5.222 503 3HG2 VAL 59 3HG2 VAL 59 -0.159 -4.014 -3.537 504 H ALA 60 H ALA 60 3.510 -5.580 -6.455 505 HA ALA 60 HA ALA 60 5.510 -7.059 -5.280 506 1HB ALA 60 1HB ALA 60 4.642 -6.484 -8.109 507 2HB ALA 60 2HB ALA 60 6.106 -7.454 -7.818 508 3HB ALA 60 3HB ALA 60 4.537 -7.998 -7.178 509 H LYS 61 H LYS 61 5.708 -4.066 -7.289 510 HA LYS 61 HA LYS 61 8.511 -4.031 -7.413 511 1HB LYS 61 1HB LYS 61 6.281 -2.135 -7.980 512 2HB LYS 61 2HB LYS 61 7.874 -1.442 -7.751 513 1HG LYS 61 1HG LYS 61 8.338 -3.692 -9.393 514 2HG LYS 61 2HG LYS 61 6.840 -3.021 -10.006 515 1HD LYS 61 1HD LYS 61 9.110 -1.120 -9.413 516 2HD LYS 61 2HD LYS 61 9.225 -2.120 -10.848 517 1HE LYS 61 1HE LYS 61 8.000 -0.471 -11.855 518 2HE LYS 61 2HE LYS 61 6.625 -1.216 -11.064 519 1HZ LYS 61 1HZ LYS 61 7.787 1.284 -10.563 520 2HZ LYS 61 2HZ LYS 61 6.386 0.674 -9.989 521 3HZ LYS 61 3HZ LYS 61 7.783 0.403 -9.188 522 H TYR 62 H TYR 62 6.118 -2.660 -5.096 523 HA TYR 62 HA TYR 62 7.994 -1.208 -3.593 524 1HB TYR 62 1HB TYR 62 5.220 -2.443 -3.282 525 2HB TYR 62 2HB TYR 62 5.982 -1.778 -1.851 526 HD1 TYR 62 HD1 TYR 62 7.271 0.656 -2.719 527 HD2 TYR 62 HD2 TYR 62 3.545 -1.009 -4.003 528 HE1 TYR 62 HE1 TYR 62 6.449 2.974 -3.365 529 HE2 TYR 62 HE2 TYR 62 2.736 1.314 -4.644 530 HH TYR 62 HH TYR 62 4.833 4.148 -4.170 531 H ARG 63 H ARG 63 6.757 -4.587 -3.388 532 HA ARG 63 HA ARG 63 7.636 -5.277 -0.958 533 1HB ARG 63 1HB ARG 63 6.425 -6.745 -2.642 534 2HB ARG 63 2HB ARG 63 7.947 -6.991 -3.475 535 1HG ARG 63 1HG ARG 63 8.521 -7.562 -0.760 536 2HG ARG 63 2HG ARG 63 6.943 -8.272 -1.034 537 1HD ARG 63 1HD ARG 63 8.287 -10.032 -1.758 538 2HD ARG 63 2HD ARG 63 8.081 -9.184 -3.278 539 HE ARG 63 HE ARG 63 10.355 -8.653 -3.247 540 1HH1 ARG 63 1HH1 ARG 63 9.339 -9.468 0.022 541 2HH1 ARG 63 2HH1 ARG 63 10.942 -9.395 0.674 542 1HH2 ARG 63 1HH2 ARG 63 12.470 -8.557 -2.387 543 2HH2 ARG 63 2HH2 ARG 63 12.734 -8.874 -0.704 544 H GLU 64 H GLU 64 9.549 -4.956 -3.994 545 HA GLU 64 HA GLU 64 11.891 -6.051 -2.923 546 1HB GLU 64 1HB GLU 64 11.313 -5.783 -5.383 547 2HB GLU 64 2HB GLU 64 11.636 -4.068 -5.225 548 1HG GLU 64 1HG GLU 64 13.897 -5.294 -4.064 549 2HG GLU 64 2HG GLU 64 13.532 -6.307 -5.447 550 H MET 65 H MET 65 10.540 -2.726 -3.128 551 HA MET 65 HA MET 65 12.882 -1.468 -2.249 552 1HB MET 65 1HB MET 65 9.955 -0.776 -2.568 553 2HB MET 65 2HB MET 65 10.913 0.296 -1.566 554 1HG MET 65 1HG MET 65 12.521 0.652 -3.422 555 2HG MET 65 2HG MET 65 11.658 -0.499 -4.423 556 1HE MET 65 1HE MET 65 9.232 0.986 -6.156 557 2HE MET 65 2HE MET 65 9.616 -0.458 -5.189 558 3HE MET 65 3HE MET 65 8.295 0.624 -4.687 559 H LEU 66 H LEU 66 10.110 -2.995 -0.607 560 HA LEU 66 HA LEU 66 11.557 -2.831 1.881 561 1HB LEU 66 1HB LEU 66 10.003 -1.654 3.132 562 2HB LEU 66 2HB LEU 66 10.205 -0.705 1.672 563 HG LEU 66 HG LEU 66 7.877 -2.523 2.343 564 1HD1 LEU 66 1HD1 LEU 66 8.418 0.200 2.956 565 2HD1 LEU 66 2HD1 LEU 66 7.120 0.162 1.740 566 3HD1 LEU 66 3HD1 LEU 66 6.938 -0.740 3.263 567 1HD2 LEU 66 1HD2 LEU 66 8.744 -1.317 -0.230 568 2HD2 LEU 66 2HD2 LEU 66 7.823 -2.804 0.096 569 3HD2 LEU 66 3HD2 LEU 66 7.012 -1.221 0.168 570 H GLY 67 H GLY 67 11.717 -5.052 1.985 571 1HA GLY 67 1HA GLY 67 9.416 -6.492 2.818 572 2HA GLY 67 2HA GLY 67 9.815 -6.889 1.158 Start of MODEL 13 1 1H THR 1 1H THR 1 -10.886 42.487 -8.126 2 HA THR 1 HA THR 1 -9.077 42.897 -6.865 3 HB THR 1 HB THR 1 -11.071 44.155 -4.906 4 HG1 THR 1 HG1 THR 1 -9.127 45.240 -6.815 5 1HG2 THR 1 1HG2 THR 1 -8.839 45.483 -4.390 6 2HG2 THR 1 2HG2 THR 1 -9.095 43.905 -3.608 7 3HG2 THR 1 3HG2 THR 1 -8.036 44.030 -5.033 8 H TYR 2 H TYR 2 -9.846 40.397 -7.072 9 HA TYR 2 HA TYR 2 -8.959 39.251 -4.656 10 1HB TYR 2 1HB TYR 2 -11.721 39.905 -4.812 11 2HB TYR 2 2HB TYR 2 -11.690 38.222 -5.298 12 HD1 TYR 2 HD1 TYR 2 -10.939 40.570 -2.540 13 HD2 TYR 2 HD2 TYR 2 -11.231 36.465 -3.710 14 HE1 TYR 2 HE1 TYR 2 -10.843 39.860 -0.100 15 HE2 TYR 2 HE2 TYR 2 -11.134 35.769 -1.267 16 HH TYR 2 HH TYR 2 -11.798 37.631 1.163 17 H SER 3 H SER 3 -8.606 36.936 -4.864 18 HA SER 3 HA SER 3 -8.788 36.124 -7.658 19 1HB SER 3 1HB SER 3 -6.564 36.246 -5.928 20 2HB SER 3 2HB SER 3 -6.959 34.540 -5.995 21 HG SER 3 HG SER 3 -6.372 34.435 -8.075 22 H LEU 4 H LEU 4 -8.663 33.494 -7.737 23 HA LEU 4 HA LEU 4 -10.099 32.260 -5.575 24 1HB LEU 4 1HB LEU 4 -11.578 33.454 -7.639 25 2HB LEU 4 2HB LEU 4 -11.580 31.739 -8.001 26 HG LEU 4 HG LEU 4 -12.130 31.895 -5.248 27 1HD1 LEU 4 1HD1 LEU 4 -12.704 34.400 -6.252 28 2HD1 LEU 4 2HD1 LEU 4 -14.275 33.567 -6.325 29 3HD1 LEU 4 3HD1 LEU 4 -13.395 33.673 -4.781 30 1HD2 LEU 4 1HD2 LEU 4 -13.058 30.534 -7.386 31 2HD2 LEU 4 2HD2 LEU 4 -13.867 30.567 -5.801 32 3HD2 LEU 4 3HD2 LEU 4 -14.423 31.643 -7.106 33 H ARG 5 H ARG 5 -10.724 29.857 -6.508 34 HA ARG 5 HA ARG 5 -8.951 28.925 -8.471 35 1HB ARG 5 1HB ARG 5 -7.338 29.244 -6.558 36 2HB ARG 5 2HB ARG 5 -8.308 28.164 -5.576 37 1HG ARG 5 1HG ARG 5 -7.974 26.388 -7.420 38 2HG ARG 5 2HG ARG 5 -6.788 27.468 -8.127 39 1HD ARG 5 1HD ARG 5 -5.422 26.137 -6.760 40 2HD ARG 5 2HD ARG 5 -5.733 27.495 -5.696 41 HE ARG 5 HE ARG 5 -6.896 24.777 -5.467 42 1HH1 ARG 5 1HH1 ARG 5 -6.841 28.098 -4.304 43 2HH1 ARG 5 2HH1 ARG 5 -7.613 27.719 -2.800 44 1HH2 ARG 5 1HH2 ARG 5 -7.915 24.277 -3.484 45 2HH2 ARG 5 2HH2 ARG 5 -8.228 25.531 -2.331 46 H THR 6 H THR 6 -9.457 26.709 -9.046 47 HA THR 6 HA THR 6 -11.214 25.193 -7.336 48 HB THR 6 HB THR 6 -12.156 26.442 -9.967 49 HG1 THR 6 HG1 THR 6 -13.637 27.387 -8.461 50 1HG2 THR 6 1HG2 THR 6 -14.334 25.168 -8.866 51 2HG2 THR 6 2HG2 THR 6 -13.351 24.467 -10.174 52 3HG2 THR 6 3HG2 THR 6 -13.047 23.999 -8.484 53 H PHE 7 H PHE 7 -10.823 23.066 -7.552 54 HA PHE 7 HA PHE 7 -10.326 21.788 -9.945 55 1HB PHE 7 1HB PHE 7 -8.161 23.385 -9.200 56 2HB PHE 7 2HB PHE 7 -7.740 21.881 -8.405 57 HD1 PHE 7 HD1 PHE 7 -7.178 23.692 -11.250 58 HD2 PHE 7 HD2 PHE 7 -8.219 19.747 -10.081 59 HE1 PHE 7 HE1 PHE 7 -6.257 22.808 -13.411 60 HE2 PHE 7 HE2 PHE 7 -7.297 18.864 -12.242 61 HZ PHE 7 HZ PHE 7 -6.328 20.405 -13.882 62 H PHE 8 H PHE 8 -11.222 19.868 -9.361 63 HA PHE 8 HA PHE 8 -9.975 18.210 -7.492 64 1HB PHE 8 1HB PHE 8 -11.955 18.213 -5.844 65 2HB PHE 8 2HB PHE 8 -10.996 19.679 -5.805 66 HD1 PHE 8 HD1 PHE 8 -14.048 18.264 -7.409 67 HD2 PHE 8 HD2 PHE 8 -12.052 21.735 -6.004 68 HE1 PHE 8 HE1 PHE 8 -16.112 19.625 -7.840 69 HE2 PHE 8 HE2 PHE 8 -14.116 23.097 -6.435 70 HZ PHE 8 HZ PHE 8 -16.122 22.026 -7.348 71 H VAL 9 H VAL 9 -10.899 16.070 -7.489 72 HA VAL 9 HA VAL 9 -13.313 15.714 -9.067 73 HB VAL 9 HB VAL 9 -10.620 14.541 -9.783 74 1HG1 VAL 9 1HG1 VAL 9 -12.673 13.898 -11.683 75 2HG1 VAL 9 2HG1 VAL 9 -11.644 12.803 -10.729 76 3HG1 VAL 9 3HG1 VAL 9 -13.195 13.371 -10.065 77 1HG2 VAL 9 1HG2 VAL 9 -11.165 15.607 -12.019 78 2HG2 VAL 9 2HG2 VAL 9 -12.490 16.463 -11.194 79 3HG2 VAL 9 3HG2 VAL 9 -10.805 16.736 -10.691 80 H ARG 10 H ARG 10 -11.173 12.995 -8.742 81 HA ARG 10 HA ARG 10 -11.853 12.341 -6.107 82 1HB ARG 10 1HB ARG 10 -13.710 11.512 -8.253 83 2HB ARG 10 2HB ARG 10 -13.105 10.142 -7.343 84 1HG ARG 10 1HG ARG 10 -13.670 11.942 -5.310 85 2HG ARG 10 2HG ARG 10 -14.918 12.335 -6.476 86 1HD ARG 10 1HD ARG 10 -14.592 9.422 -6.188 87 2HD ARG 10 2HD ARG 10 -14.950 10.183 -4.651 88 HE ARG 10 HE ARG 10 -16.795 11.378 -6.276 89 1HH1 ARG 10 1HH1 ARG 10 -15.891 8.003 -5.861 90 2HH1 ARG 10 2HH1 ARG 10 -17.463 7.399 -6.268 91 1HH2 ARG 10 1HH2 ARG 10 -18.868 10.583 -6.813 92 2HH2 ARG 10 2HH2 ARG 10 -19.168 8.877 -6.813 93 H GLU 11 H GLU 11 -11.890 10.030 -8.873 94 HA GLU 11 HA GLU 11 -10.502 8.499 -9.534 95 1HB GLU 11 1HB GLU 11 -8.737 10.783 -8.931 96 2HB GLU 11 2HB GLU 11 -7.895 9.249 -8.843 97 1HG GLU 11 1HG GLU 11 -9.723 9.777 -11.196 98 2HG GLU 11 2HG GLU 11 -8.142 10.534 -11.167 99 H SER 12 H SER 12 -8.138 7.331 -8.548 100 HA SER 12 HA SER 12 -9.162 5.834 -6.456 101 1HB SER 12 1HB SER 12 -7.069 4.666 -6.494 102 2HB SER 12 2HB SER 12 -7.384 5.150 -8.148 103 HG SER 12 HG SER 12 -5.261 5.798 -6.540 104 H ALA 13 H ALA 13 -6.490 5.749 -4.930 105 HA ALA 13 HA ALA 13 -7.177 7.210 -2.741 106 1HB ALA 13 1HB ALA 13 -4.957 5.660 -3.680 107 2HB ALA 13 2HB ALA 13 -4.316 7.142 -2.932 108 3HB ALA 13 3HB ALA 13 -5.390 6.069 -2.003 109 H GLU 14 H GLU 14 -5.757 9.095 -1.784 110 HA GLU 14 HA GLU 14 -6.284 11.312 -3.362 111 1HB GLU 14 1HB GLU 14 -5.681 12.530 -1.497 112 2HB GLU 14 2HB GLU 14 -5.884 10.965 -0.734 113 1HG GLU 14 1HG GLU 14 -3.314 10.650 -1.403 114 2HG GLU 14 2HG GLU 14 -3.325 12.402 -1.462 115 H GLY 15 H GLY 15 -4.458 13.070 -3.775 116 1HA GLY 15 1HA GLY 15 -2.699 11.982 -5.711 117 2HA GLY 15 2HA GLY 15 -2.757 13.637 -5.139 118 H LEU 16 H LEU 16 -1.909 10.379 -3.744 119 HA LEU 16 HA LEU 16 0.138 11.597 -2.138 120 1HB LEU 16 1HB LEU 16 0.539 9.162 -1.515 121 2HB LEU 16 2HB LEU 16 -0.973 9.908 -1.035 122 HG LEU 16 HG LEU 16 -2.205 8.737 -2.704 123 1HD1 LEU 16 1HD1 LEU 16 -0.945 7.091 -4.238 124 2HD1 LEU 16 2HD1 LEU 16 -0.930 8.822 -4.652 125 3HD1 LEU 16 3HD1 LEU 16 0.490 8.080 -3.877 126 1HD2 LEU 16 1HD2 LEU 16 -1.857 7.397 -0.777 127 2HD2 LEU 16 2HD2 LEU 16 -1.626 6.336 -2.187 128 3HD2 LEU 16 3HD2 LEU 16 -0.213 6.950 -1.294 129 H THR 17 H THR 17 2.421 11.078 -2.261 130 HA THR 17 HA THR 17 3.262 10.794 -5.029 131 HB THR 17 HB THR 17 5.532 11.320 -3.750 132 HG1 THR 17 HG1 THR 17 4.473 10.834 -1.655 133 1HG2 THR 17 1HG2 THR 17 4.845 13.241 -4.881 134 2HG2 THR 17 2HG2 THR 17 3.175 13.116 -4.278 135 3HG2 THR 17 3HG2 THR 17 4.455 13.765 -3.225 136 H GLN 18 H GLN 18 5.010 9.345 -5.667 137 HA GLN 18 HA GLN 18 4.436 6.760 -5.059 138 1HB GLN 18 1HB GLN 18 6.546 6.197 -6.208 139 2HB GLN 18 2HB GLN 18 5.700 7.476 -7.057 140 1HG GLN 18 1HG GLN 18 7.157 9.143 -5.722 141 2HG GLN 18 2HG GLN 18 8.111 7.764 -5.214 142 1HE2 GLN 18 1HE2 GLN 18 6.824 9.434 -8.058 143 2HE2 GLN 18 2HE2 GLN 18 8.115 9.058 -9.150 144 H GLY 19 H GLY 19 6.650 9.039 -3.438 145 1HA GLY 19 1HA GLY 19 8.020 7.084 -1.879 146 2HA GLY 19 2HA GLY 19 7.998 8.819 -1.639 147 H GLU 20 H GLU 20 5.024 9.027 -1.520 148 HA GLU 20 HA GLU 20 4.778 8.582 1.230 149 1HB GLU 20 1HB GLU 20 3.029 9.608 -0.979 150 2HB GLU 20 2HB GLU 20 2.216 9.069 0.477 151 1HG GLU 20 1HG GLU 20 3.803 10.547 1.822 152 2HG GLU 20 2HG GLU 20 4.421 11.174 0.306 153 H LEU 21 H LEU 21 3.655 6.838 -1.702 154 HA LEU 21 HA LEU 21 1.898 5.092 -0.424 155 1HB LEU 21 1HB LEU 21 2.531 5.636 -2.967 156 2HB LEU 21 2HB LEU 21 3.465 4.166 -2.773 157 HG LEU 21 HG LEU 21 1.510 3.302 -3.575 158 1HD1 LEU 21 1HD1 LEU 21 0.439 2.086 -1.889 159 2HD1 LEU 21 2HD1 LEU 21 2.047 2.447 -1.215 160 3HD1 LEU 21 3HD1 LEU 21 0.631 3.390 -0.692 161 1HD2 LEU 21 1HD2 LEU 21 -0.270 4.580 -3.903 162 2HD2 LEU 21 2HD2 LEU 21 -0.629 4.574 -2.160 163 3HD2 LEU 21 3HD2 LEU 21 0.438 5.824 -2.845 164 H MET 22 H MET 22 5.454 4.992 -0.952 165 HA MET 22 HA MET 22 5.879 2.404 -0.191 166 1HB MET 22 1HB MET 22 7.640 3.851 -1.138 167 2HB MET 22 2HB MET 22 7.539 4.949 0.225 168 1HG MET 22 1HG MET 22 9.499 3.276 0.262 169 2HG MET 22 2HG MET 22 8.541 3.370 1.727 170 1HE MET 22 1HE MET 22 7.477 1.710 -1.717 171 2HE MET 22 2HE MET 22 9.235 1.477 -1.565 172 3HE MET 22 3HE MET 22 8.140 0.076 -1.478 173 H LYS 23 H LYS 23 6.056 5.379 1.903 174 HA LYS 23 HA LYS 23 6.458 3.963 4.276 175 1HB LYS 23 1HB LYS 23 5.431 6.745 3.678 176 2HB LYS 23 2HB LYS 23 5.652 6.155 5.313 177 1HG LYS 23 1HG LYS 23 8.048 5.687 4.850 178 2HG LYS 23 2HG LYS 23 7.844 6.191 3.184 179 1HD LYS 23 1HD LYS 23 6.886 8.218 5.116 180 2HD LYS 23 2HD LYS 23 8.587 7.846 5.314 181 1HE LYS 23 1HE LYS 23 8.843 8.171 2.774 182 2HE LYS 23 2HE LYS 23 7.201 8.784 2.762 183 1HZ LYS 23 1HZ LYS 23 9.134 9.905 4.633 184 2HZ LYS 23 2HZ LYS 23 9.145 10.392 3.074 185 3HZ LYS 23 3HZ LYS 23 7.806 10.602 3.986 186 H LEU 24 H LEU 24 3.574 4.667 2.351 187 HA LEU 24 HA LEU 24 1.702 4.230 4.412 188 1HB LEU 24 1HB LEU 24 1.649 4.362 1.428 189 2HB LEU 24 2HB LEU 24 0.259 3.703 2.268 190 HG LEU 24 HG LEU 24 1.350 6.359 3.135 191 1HD1 LEU 24 1HD1 LEU 24 0.208 5.766 0.492 192 2HD1 LEU 24 2HD1 LEU 24 -0.605 7.086 1.366 193 3HD1 LEU 24 3HD1 LEU 24 1.146 7.169 1.057 194 1HD2 LEU 24 1HD2 LEU 24 -0.864 4.745 3.821 195 2HD2 LEU 24 2HD2 LEU 24 -0.473 6.384 4.395 196 3HD2 LEU 24 3HD2 LEU 24 -1.510 6.166 2.965 197 H ILE 25 H ILE 25 3.252 2.107 1.938 198 HA ILE 25 HA ILE 25 1.761 -0.175 2.677 199 HB ILE 25 HB ILE 25 4.101 0.451 0.962 200 1HG1 ILE 25 1HG1 ILE 25 1.594 -1.192 0.504 201 2HG1 ILE 25 2HG1 ILE 25 1.741 0.521 0.166 202 1HG2 ILE 25 1HG2 ILE 25 3.761 -2.119 2.383 203 2HG2 ILE 25 2HG2 ILE 25 4.011 -2.235 0.625 204 3HG2 ILE 25 3HG2 ILE 25 5.204 -1.390 1.639 205 1HD1 ILE 25 1HD1 ILE 25 2.331 -1.503 -1.628 206 2HD1 ILE 25 2HD1 ILE 25 2.933 0.167 -1.748 207 3HD1 ILE 25 3HD1 ILE 25 3.942 -1.090 -0.993 208 H LYS 26 H LYS 26 5.000 1.130 3.595 209 HA LYS 26 HA LYS 26 5.674 -1.064 5.220 210 1HB LYS 26 1HB LYS 26 7.173 0.763 4.188 211 2HB LYS 26 2HB LYS 26 6.713 1.751 5.559 212 1HG LYS 26 1HG LYS 26 7.562 -1.029 6.244 213 2HG LYS 26 2HG LYS 26 8.822 -0.021 5.562 214 1HD LYS 26 1HD LYS 26 8.709 1.557 7.323 215 2HD LYS 26 2HD LYS 26 7.075 1.102 7.765 216 1HE LYS 26 1HE LYS 26 8.007 -0.171 9.405 217 2HE LYS 26 2HE LYS 26 8.486 -1.283 8.138 218 1HZ LYS 26 1HZ LYS 26 10.118 0.290 9.727 219 2HZ LYS 26 2HZ LYS 26 10.565 -0.767 8.565 220 3HZ LYS 26 3HZ LYS 26 10.312 0.802 8.188 221 H GLU 27 H GLU 27 3.945 2.034 5.796 222 HA GLU 27 HA GLU 27 3.915 1.971 8.519 223 1HB GLU 27 1HB GLU 27 2.234 3.170 6.375 224 2HB GLU 27 2HB GLU 27 1.435 3.018 7.927 225 1HG GLU 27 1HG GLU 27 4.047 3.976 8.523 226 2HG GLU 27 2HG GLU 27 3.534 4.883 7.114 227 H ILE 28 H ILE 28 1.938 0.147 6.156 228 HA ILE 28 HA ILE 28 0.060 -0.798 8.038 229 HB ILE 28 HB ILE 28 0.788 -1.295 5.221 230 1HG1 ILE 28 1HG1 ILE 28 -2.018 -1.462 5.973 231 2HG1 ILE 28 2HG1 ILE 28 -1.266 -0.029 6.648 232 1HG2 ILE 28 1HG2 ILE 28 -0.610 -3.394 6.896 233 2HG2 ILE 28 2HG2 ILE 28 -0.672 -3.321 5.119 234 3HG2 ILE 28 3HG2 ILE 28 0.884 -3.574 5.946 235 1HD1 ILE 28 1HD1 ILE 28 -0.815 -0.791 3.742 236 2HD1 ILE 28 2HD1 ILE 28 -2.250 0.134 4.244 237 3HD1 ILE 28 3HD1 ILE 28 -0.622 0.801 4.514 238 H VAL 29 H VAL 29 3.250 -1.941 6.859 239 HA VAL 29 HA VAL 29 3.029 -4.403 8.315 240 HB VAL 29 HB VAL 29 5.588 -3.280 7.241 241 1HG1 VAL 29 1HG1 VAL 29 6.263 -5.457 7.104 242 2HG1 VAL 29 2HG1 VAL 29 5.056 -5.637 8.400 243 3HG1 VAL 29 3HG1 VAL 29 4.632 -6.059 6.724 244 1HG2 VAL 29 1HG2 VAL 29 4.578 -4.589 5.062 245 2HG2 VAL 29 2HG2 VAL 29 3.127 -3.767 5.684 246 3HG2 VAL 29 3HG2 VAL 29 4.579 -2.822 5.277 247 H GLU 30 H GLU 30 2.820 -1.606 9.637 248 HA GLU 30 HA GLU 30 5.138 -1.294 11.158 249 1HB GLU 30 1HB GLU 30 2.300 -0.280 11.331 250 2HB GLU 30 2HB GLU 30 3.373 -0.017 12.691 251 1HG GLU 30 1HG GLU 30 4.384 0.651 9.924 252 2HG GLU 30 2HG GLU 30 3.232 1.740 10.671 253 H ASN 31 H ASN 31 2.313 -3.396 11.416 254 HA ASN 31 HA ASN 31 3.562 -4.639 13.686 255 1HB ASN 31 1HB ASN 31 1.380 -4.716 14.954 256 2HB ASN 31 2HB ASN 31 2.002 -3.086 14.788 257 1HD2 ASN 31 1HD2 ASN 31 -0.638 -5.070 14.429 258 2HD2 ASN 31 2HD2 ASN 31 -1.647 -4.086 13.423 259 H GLU 32 H GLU 32 3.617 -5.726 11.208 260 HA GLU 32 HA GLU 32 1.339 -6.990 10.313 261 1HB GLU 32 1HB GLU 32 2.830 -8.307 8.918 262 2HB GLU 32 2HB GLU 32 3.466 -6.678 9.019 263 1HG GLU 32 1HG GLU 32 5.359 -7.352 10.113 264 2HG GLU 32 2HG GLU 32 4.474 -8.419 11.185 265 H ASP 33 H ASP 33 2.536 -9.775 10.107 266 HA ASP 33 HA ASP 33 2.585 -10.672 12.814 267 1HB ASP 33 1HB ASP 33 0.082 -10.481 11.651 268 2HB ASP 33 2HB ASP 33 0.530 -12.115 11.203 269 H LYS 34 H LYS 34 3.307 -12.966 12.898 270 HA LYS 34 HA LYS 34 4.831 -13.681 10.583 271 1HB LYS 34 1HB LYS 34 4.539 -14.730 13.386 272 2HB LYS 34 2HB LYS 34 5.329 -15.711 12.168 273 1HG LYS 34 1HG LYS 34 6.133 -12.807 12.526 274 2HG LYS 34 2HG LYS 34 6.764 -14.029 13.613 275 1HD LYS 34 1HD LYS 34 6.966 -14.958 10.852 276 2HD LYS 34 2HD LYS 34 7.709 -13.378 11.003 277 1HE LYS 34 1HE LYS 34 8.815 -14.430 13.191 278 2HE LYS 34 2HE LYS 34 8.437 -15.955 12.415 279 1HZ LYS 34 1HZ LYS 34 10.412 -15.551 11.469 280 2HZ LYS 34 2HZ LYS 34 9.530 -14.683 10.403 281 3HZ LYS 34 3HZ LYS 34 10.320 -13.927 11.616 282 H ARG 35 H ARG 35 2.051 -15.099 12.429 283 HA ARG 35 HA ARG 35 1.772 -17.184 10.562 284 1HB ARG 35 1HB ARG 35 1.017 -17.193 13.016 285 2HB ARG 35 2HB ARG 35 -0.313 -16.153 12.548 286 1HG ARG 35 1HG ARG 35 -1.208 -17.855 11.035 287 2HG ARG 35 2HG ARG 35 0.211 -18.862 11.243 288 1HD ARG 35 1HD ARG 35 -0.463 -18.730 13.833 289 2HD ARG 35 2HD ARG 35 -2.045 -18.341 13.188 290 HE ARG 35 HE ARG 35 -1.295 -20.561 11.710 291 1HH1 ARG 35 1HH1 ARG 35 -1.504 -19.883 15.157 292 2HH1 ARG 35 2HH1 ARG 35 -1.845 -21.526 15.588 293 1HH2 ARG 35 1HH2 ARG 35 -1.745 -22.728 12.279 294 2HH2 ARG 35 2HH2 ARG 35 -1.983 -23.154 13.941 295 H LYS 36 H LYS 36 1.204 -13.896 10.290 296 HA LYS 36 HA LYS 36 -0.347 -14.209 7.948 297 1HB LYS 36 1HB LYS 36 -1.821 -13.928 10.401 298 2HB LYS 36 2HB LYS 36 -2.033 -12.476 9.444 299 1HG LYS 36 1HG LYS 36 -2.238 -15.169 8.077 300 2HG LYS 36 2HG LYS 36 -3.587 -14.607 9.045 301 1HD LYS 36 1HD LYS 36 -4.188 -13.020 7.510 302 2HD LYS 36 2HD LYS 36 -2.533 -12.508 7.249 303 1HE LYS 36 1HE LYS 36 -2.596 -15.077 6.111 304 2HE LYS 36 2HE LYS 36 -4.166 -14.418 5.698 305 1HZ LYS 36 1HZ LYS 36 -2.734 -13.718 4.036 306 2HZ LYS 36 2HZ LYS 36 -2.888 -12.392 4.976 307 3HZ LYS 36 3HZ LYS 36 -1.536 -13.304 5.065 308 HA PRO 37 HA PRO 37 2.301 -10.558 8.359 309 1HB PRO 37 1HB PRO 37 4.019 -11.108 6.306 310 2HB PRO 37 2HB PRO 37 4.357 -11.521 7.975 311 1HG PRO 37 1HG PRO 37 3.535 -13.294 5.757 312 2HG PRO 37 2HG PRO 37 4.277 -13.721 7.286 313 1HD PRO 37 1HD PRO 37 1.515 -14.025 6.576 314 2HD PRO 37 2HD PRO 37 2.235 -14.342 8.141 315 H TYR 38 H TYR 38 2.500 -8.638 7.060 316 HA TYR 38 HA TYR 38 0.270 -8.555 5.222 317 1HB TYR 38 1HB TYR 38 2.361 -6.582 6.328 318 2HB TYR 38 2HB TYR 38 1.081 -6.074 5.243 319 HD1 TYR 38 HD1 TYR 38 1.127 -4.607 7.617 320 HD2 TYR 38 HD2 TYR 38 -0.490 -8.526 7.043 321 HE1 TYR 38 HE1 TYR 38 -0.422 -4.266 9.603 322 HE2 TYR 38 HE2 TYR 38 -2.034 -8.172 9.031 323 HH TYR 38 HH TYR 38 -2.014 -6.779 11.098 324 H SER 39 H SER 39 1.711 -10.238 3.879 325 HA SER 39 HA SER 39 3.888 -9.204 2.491 326 1HB SER 39 1HB SER 39 2.810 -11.166 0.829 327 2HB SER 39 2HB SER 39 3.977 -11.433 2.109 328 HG SER 39 HG SER 39 1.794 -12.670 2.071 329 H ASP 40 H ASP 40 3.829 -9.098 -0.075 330 HA ASP 40 HA ASP 40 2.586 -6.900 -0.856 331 1HB ASP 40 1HB ASP 40 2.566 -8.035 -3.230 332 2HB ASP 40 2HB ASP 40 4.097 -7.783 -2.416 333 H GLN 41 H GLN 41 1.228 -10.200 -0.605 334 HA GLN 41 HA GLN 41 -1.059 -9.758 -2.124 335 1HB GLN 41 1HB GLN 41 -1.089 -11.989 -1.775 336 2HB GLN 41 2HB GLN 41 0.054 -11.849 -0.454 337 1HG GLN 41 1HG GLN 41 -1.986 -12.834 0.430 338 2HG GLN 41 2HG GLN 41 -1.850 -11.212 1.080 339 1HE2 GLN 41 1HE2 GLN 41 -4.136 -11.439 1.456 340 2HE2 GLN 41 2HE2 GLN 41 -5.275 -11.078 0.203 341 H GLU 42 H GLU 42 -0.380 -9.453 1.418 342 HA GLU 42 HA GLU 42 -2.995 -8.806 2.104 343 1HB GLU 42 1HB GLU 42 -1.150 -9.567 3.665 344 2HB GLU 42 2HB GLU 42 -0.433 -7.973 3.534 345 1HG GLU 42 1HG GLU 42 -2.098 -8.511 5.524 346 2HG GLU 42 2HG GLU 42 -2.144 -6.940 4.749 347 H ILE 43 H ILE 43 -0.115 -6.575 2.103 348 HA ILE 43 HA ILE 43 -1.394 -4.225 2.326 349 HB ILE 43 HB ILE 43 1.144 -5.163 1.278 350 1HG1 ILE 43 1HG1 ILE 43 1.278 -2.532 2.351 351 2HG1 ILE 43 2HG1 ILE 43 0.087 -3.408 3.293 352 1HG2 ILE 43 1HG2 ILE 43 0.151 -2.514 0.195 353 2HG2 ILE 43 2HG2 ILE 43 1.757 -3.245 -0.039 354 3HG2 ILE 43 3HG2 ILE 43 0.320 -4.007 -0.761 355 1HD1 ILE 43 1HD1 ILE 43 2.976 -3.685 3.306 356 2HD1 ILE 43 2HD1 ILE 43 1.779 -4.434 4.390 357 3HD1 ILE 43 3HD1 ILE 43 2.228 -5.240 2.867 358 H ALA 44 H ALA 44 -0.949 -6.131 -0.711 359 HA ALA 44 HA ALA 44 -2.074 -4.278 -2.440 360 1HB ALA 44 1HB ALA 44 -2.504 -6.326 -3.856 361 2HB ALA 44 2HB ALA 44 -0.839 -6.194 -3.240 362 3HB ALA 44 3HB ALA 44 -1.986 -7.319 -2.473 363 H ASN 45 H ASN 45 -3.578 -6.865 -0.415 364 HA ASN 45 HA ASN 45 -6.137 -6.476 -1.435 365 1HB ASN 45 1HB ASN 45 -4.918 -7.804 0.979 366 2HB ASN 45 2HB ASN 45 -6.634 -7.459 1.068 367 1HD2 ASN 45 1HD2 ASN 45 -4.130 -8.938 -0.950 368 2HD2 ASN 45 2HD2 ASN 45 -5.114 -10.165 -1.675 369 H ILE 46 H ILE 46 -4.214 -5.032 1.233 370 HA ILE 46 HA ILE 46 -6.264 -3.767 2.611 371 HB ILE 46 HB ILE 46 -3.323 -3.308 2.290 372 1HG1 ILE 46 1HG1 ILE 46 -5.122 -4.184 4.563 373 2HG1 ILE 46 2HG1 ILE 46 -3.978 -5.169 3.673 374 1HG2 ILE 46 1HG2 ILE 46 -3.532 -1.149 2.797 375 2HG2 ILE 46 2HG2 ILE 46 -5.270 -1.313 3.144 376 3HG2 ILE 46 3HG2 ILE 46 -4.071 -1.683 4.407 377 1HD1 ILE 46 1HD1 ILE 46 -2.522 -2.896 4.632 378 2HD1 ILE 46 2HD1 ILE 46 -3.499 -3.509 5.987 379 3HD1 ILE 46 3HD1 ILE 46 -2.364 -4.593 5.147 380 H LEU 47 H LEU 47 -4.316 -2.723 -0.244 381 HA LEU 47 HA LEU 47 -5.225 -0.140 -0.425 382 1HB LEU 47 1HB LEU 47 -4.214 -0.104 -2.441 383 2HB LEU 47 2HB LEU 47 -3.474 -1.546 -1.775 384 HG LEU 47 HG LEU 47 -5.587 -2.683 -3.010 385 1HD1 LEU 47 1HD1 LEU 47 -6.589 -0.761 -3.941 386 2HD1 LEU 47 2HD1 LEU 47 -5.029 -0.123 -4.515 387 3HD1 LEU 47 3HD1 LEU 47 -5.740 -1.562 -5.285 388 1HD2 LEU 47 1HD2 LEU 47 -3.991 -3.694 -4.200 389 2HD2 LEU 47 2HD2 LEU 47 -3.433 -2.167 -4.925 390 3HD2 LEU 47 3HD2 LEU 47 -2.850 -2.653 -3.315 391 H LYS 48 H LYS 48 -6.836 -3.211 -1.267 392 HA LYS 48 HA LYS 48 -8.874 -2.189 -2.836 393 1HB LYS 48 1HB LYS 48 -8.231 -4.609 -2.424 394 2HB LYS 48 2HB LYS 48 -9.108 -4.513 -0.910 395 1HG LYS 48 1HG LYS 48 -10.995 -3.468 -2.596 396 2HG LYS 48 2HG LYS 48 -10.155 -4.521 -3.717 397 1HD LYS 48 1HD LYS 48 -10.413 -6.406 -2.007 398 2HD LYS 48 2HD LYS 48 -11.426 -5.332 -1.062 399 1HE LYS 48 1HE LYS 48 -12.020 -5.921 -3.993 400 2HE LYS 48 2HE LYS 48 -12.617 -6.953 -2.708 401 1HZ LYS 48 1HZ LYS 48 -14.082 -5.416 -2.084 402 2HZ LYS 48 2HZ LYS 48 -13.068 -4.154 -2.298 403 3HZ LYS 48 3HZ LYS 48 -13.866 -4.786 -3.575 404 H GLU 49 H GLU 49 -8.277 -1.986 0.640 405 HA GLU 49 HA GLU 49 -10.667 -1.671 1.726 406 1HB GLU 49 1HB GLU 49 -8.133 -0.047 2.122 407 2HB GLU 49 2HB GLU 49 -9.548 0.237 3.116 408 1HG GLU 49 1HG GLU 49 -9.050 -2.625 2.958 409 2HG GLU 49 2HG GLU 49 -7.572 -1.809 3.429 410 H LYS 50 H LYS 50 -9.154 0.496 -0.645 411 HA LYS 50 HA LYS 50 -11.636 1.723 -1.201 412 1HB LYS 50 1HB LYS 50 -10.716 2.858 0.992 413 2HB LYS 50 2HB LYS 50 -9.661 3.709 -0.118 414 1HG LYS 50 1HG LYS 50 -12.605 3.556 -0.778 415 2HG LYS 50 2HG LYS 50 -12.095 4.654 0.489 416 1HD LYS 50 1HD LYS 50 -10.639 4.667 -2.170 417 2HD LYS 50 2HD LYS 50 -12.182 5.486 -2.028 418 1HE LYS 50 1HE LYS 50 -10.911 7.261 -1.325 419 2HE LYS 50 2HE LYS 50 -10.942 6.442 0.223 420 1HZ LYS 50 1HZ LYS 50 -8.733 7.031 -1.197 421 2HZ LYS 50 2HZ LYS 50 -8.803 5.972 0.045 422 3HZ LYS 50 3HZ LYS 50 -8.920 5.436 -1.493 423 H GLY 51 H GLY 51 -8.056 1.692 -1.393 424 1HA GLY 51 1HA GLY 51 -7.315 1.195 -3.720 425 2HA GLY 51 2HA GLY 51 -8.293 2.563 -4.212 426 H PHE 52 H PHE 52 -5.364 1.529 -2.461 427 HA PHE 52 HA PHE 52 -4.595 4.261 -1.936 428 1HB PHE 52 1HB PHE 52 -3.981 1.532 -1.079 429 2HB PHE 52 2HB PHE 52 -2.486 2.291 -1.592 430 HD1 PHE 52 HD1 PHE 52 -3.764 1.435 1.242 431 HD2 PHE 52 HD2 PHE 52 -2.996 5.104 -0.748 432 HE1 PHE 52 HE1 PHE 52 -3.596 2.602 3.458 433 HE2 PHE 52 HE2 PHE 52 -2.828 6.270 1.468 434 HZ PHE 52 HZ PHE 52 -3.131 5.006 3.544 435 H LYS 53 H LYS 53 -4.994 3.426 -4.767 436 HA LYS 53 HA LYS 53 -3.978 3.478 -6.733 437 1HB LYS 53 1HB LYS 53 -3.480 5.790 -5.537 438 2HB LYS 53 2HB LYS 53 -1.820 5.237 -5.624 439 1HG LYS 53 1HG LYS 53 -1.951 4.978 -8.050 440 2HG LYS 53 2HG LYS 53 -3.682 5.256 -8.041 441 1HD LYS 53 1HD LYS 53 -2.883 7.371 -8.661 442 2HD LYS 53 2HD LYS 53 -3.067 7.570 -6.930 443 1HE LYS 53 1HE LYS 53 -0.824 7.845 -6.618 444 2HE LYS 53 2HE LYS 53 -0.433 6.445 -7.596 445 1HZ LYS 53 1HZ LYS 53 -0.236 9.106 -8.302 446 2HZ LYS 53 2HZ LYS 53 0.115 7.801 -9.219 447 3HZ LYS 53 3HZ LYS 53 -1.381 8.454 -9.267 448 H VAL 54 H VAL 54 -3.430 1.132 -5.454 449 HA VAL 54 HA VAL 54 -0.590 0.737 -6.098 450 HB VAL 54 HB VAL 54 -1.966 -1.051 -4.160 451 1HG1 VAL 54 1HG1 VAL 54 0.162 -1.505 -3.407 452 2HG1 VAL 54 2HG1 VAL 54 0.506 -1.086 -5.103 453 3HG1 VAL 54 3HG1 VAL 54 0.775 0.115 -3.817 454 1HG2 VAL 54 1HG2 VAL 54 -2.668 1.174 -3.390 455 2HG2 VAL 54 2HG2 VAL 54 -1.490 0.444 -2.271 456 3HG2 VAL 54 3HG2 VAL 54 -0.973 1.719 -3.402 457 H ALA 55 H ALA 55 -0.877 -2.183 -5.739 458 HA ALA 55 HA ALA 55 -2.842 -3.464 -6.983 459 1HB ALA 55 1HB ALA 55 -3.038 -2.276 -8.947 460 2HB ALA 55 2HB ALA 55 -1.325 -1.795 -8.956 461 3HB ALA 55 3HB ALA 55 -1.790 -3.441 -9.449 462 H ARG 56 H ARG 56 -2.245 -5.646 -7.548 463 HA ARG 56 HA ARG 56 -0.307 -6.743 -6.150 464 1HB ARG 56 1HB ARG 56 -1.280 -7.577 -8.925 465 2HB ARG 56 2HB ARG 56 -0.288 -8.616 -7.921 466 1HG ARG 56 1HG ARG 56 -2.010 -8.531 -6.115 467 2HG ARG 56 2HG ARG 56 -2.997 -7.467 -7.095 468 1HD ARG 56 1HD ARG 56 -3.897 -9.672 -7.427 469 2HD ARG 56 2HD ARG 56 -3.014 -9.300 -8.894 470 HE ARG 56 HE ARG 56 -2.255 -11.278 -6.839 471 1HH1 ARG 56 1HH1 ARG 56 -1.248 -9.444 -9.668 472 2HH1 ARG 56 2HH1 ARG 56 0.052 -10.519 -10.060 473 1HH2 ARG 56 1HH2 ARG 56 -0.541 -12.697 -7.357 474 2HH2 ARG 56 2HH2 ARG 56 0.457 -12.382 -8.737 475 H ARG 57 H ARG 57 0.029 -5.626 -9.592 476 HA ARG 57 HA ARG 57 2.662 -6.387 -9.866 477 1HB ARG 57 1HB ARG 57 2.674 -4.654 -11.747 478 2HB ARG 57 2HB ARG 57 1.367 -5.819 -11.832 479 1HG ARG 57 1HG ARG 57 0.649 -3.460 -10.210 480 2HG ARG 57 2HG ARG 57 1.098 -3.023 -11.847 481 1HD ARG 57 1HD ARG 57 -0.903 -5.244 -11.223 482 2HD ARG 57 2HD ARG 57 -1.384 -3.579 -11.484 483 HE ARG 57 HE ARG 57 -0.666 -3.736 -13.785 484 1HH1 ARG 57 1HH1 ARG 57 -0.320 -6.757 -12.013 485 2HH1 ARG 57 2HH1 ARG 57 -0.183 -7.727 -13.442 486 1HH2 ARG 57 1HH2 ARG 57 -0.485 -5.016 -15.670 487 2HH2 ARG 57 2HH2 ARG 57 -0.277 -6.730 -15.536 488 H THR 58 H THR 58 1.122 -3.419 -8.562 489 HA THR 58 HA THR 58 3.553 -1.935 -8.401 490 HB THR 58 HB THR 58 0.705 -1.668 -7.353 491 HG1 THR 58 HG1 THR 58 2.500 -0.047 -9.012 492 1HG2 THR 58 1HG2 THR 58 1.286 0.569 -6.521 493 2HG2 THR 58 2HG2 THR 58 2.307 -0.617 -5.674 494 3HG2 THR 58 3HG2 THR 58 2.984 0.348 -7.007 495 H VAL 59 H VAL 59 1.530 -3.702 -5.968 496 HA VAL 59 HA VAL 59 3.147 -3.184 -3.796 497 HB VAL 59 HB VAL 59 1.758 -5.816 -4.179 498 1HG1 VAL 59 1HG1 VAL 59 1.966 -3.884 -1.844 499 2HG1 VAL 59 2HG1 VAL 59 1.115 -5.447 -1.827 500 3HG1 VAL 59 3HG1 VAL 59 2.881 -5.398 -2.047 501 1HG2 VAL 59 1HG2 VAL 59 0.554 -3.137 -4.443 502 2HG2 VAL 59 2HG2 VAL 59 -0.065 -4.731 -4.938 503 3HG2 VAL 59 3HG2 VAL 59 -0.246 -4.190 -3.252 504 H ALA 60 H ALA 60 3.448 -5.607 -6.419 505 HA ALA 60 HA ALA 60 5.392 -7.207 -5.262 506 1HB ALA 60 1HB ALA 60 4.149 -6.785 -7.836 507 2HB ALA 60 2HB ALA 60 5.903 -7.003 -8.052 508 3HB ALA 60 3HB ALA 60 4.949 -8.244 -7.204 509 H LYS 61 H LYS 61 5.652 -4.138 -7.151 510 HA LYS 61 HA LYS 61 8.459 -4.132 -7.222 511 1HB LYS 61 1HB LYS 61 6.438 -2.674 -8.380 512 2HB LYS 61 2HB LYS 61 7.100 -1.515 -7.245 513 1HG LYS 61 1HG LYS 61 9.130 -1.381 -8.341 514 2HG LYS 61 2HG LYS 61 9.134 -3.080 -8.772 515 1HD LYS 61 1HD LYS 61 8.849 -1.957 -10.850 516 2HD LYS 61 2HD LYS 61 7.238 -2.516 -10.444 517 1HE LYS 61 1HE LYS 61 6.457 -0.367 -9.943 518 2HE LYS 61 2HE LYS 61 8.037 0.216 -9.457 519 1HZ LYS 61 1HZ LYS 61 8.448 0.866 -11.513 520 2HZ LYS 61 2HZ LYS 61 7.981 -0.549 -12.182 521 3HZ LYS 61 3HZ LYS 61 6.873 0.607 -11.861 522 H TYR 62 H TYR 62 6.038 -2.736 -4.937 523 HA TYR 62 HA TYR 62 7.954 -1.427 -3.338 524 1HB TYR 62 1HB TYR 62 5.091 -2.489 -3.107 525 2HB TYR 62 2HB TYR 62 5.853 -1.787 -1.693 526 HD1 TYR 62 HD1 TYR 62 5.244 0.401 -1.266 527 HD2 TYR 62 HD2 TYR 62 5.549 -0.887 -5.335 528 HE1 TYR 62 HE1 TYR 62 4.564 2.719 -2.059 529 HE2 TYR 62 HE2 TYR 62 4.868 1.435 -6.113 530 HH TYR 62 HH TYR 62 4.771 3.612 -5.406 531 H ARG 63 H ARG 63 6.454 -4.703 -3.254 532 HA ARG 63 HA ARG 63 7.095 -5.535 -0.822 533 1HB ARG 63 1HB ARG 63 6.132 -6.805 -2.941 534 2HB ARG 63 2HB ARG 63 7.791 -7.309 -3.190 535 1HG ARG 63 1HG ARG 63 6.491 -7.649 -0.468 536 2HG ARG 63 2HG ARG 63 6.187 -8.818 -1.738 537 1HD ARG 63 1HD ARG 63 8.780 -8.954 -1.998 538 2HD ARG 63 2HD ARG 63 8.863 -8.101 -0.469 539 HE ARG 63 HE ARG 63 8.289 -10.087 0.606 540 1HH1 ARG 63 1HH1 ARG 63 7.158 -10.252 -2.722 541 2HH1 ARG 63 2HH1 ARG 63 6.600 -11.886 -2.586 542 1HH2 ARG 63 1HH2 ARG 63 7.553 -12.243 0.786 543 2HH2 ARG 63 2HH2 ARG 63 6.826 -13.026 -0.577 544 H GLU 64 H GLU 64 9.331 -5.227 -3.639 545 HA GLU 64 HA GLU 64 11.507 -6.386 -2.283 546 1HB GLU 64 1HB GLU 64 11.242 -6.270 -4.786 547 2HB GLU 64 2HB GLU 64 11.515 -4.540 -4.712 548 1HG GLU 64 1HG GLU 64 13.646 -5.717 -3.225 549 2HG GLU 64 2HG GLU 64 13.468 -6.709 -4.659 550 H MET 65 H MET 65 10.161 -3.104 -2.592 551 HA MET 65 HA MET 65 12.448 -1.761 -1.711 552 1HB MET 65 1HB MET 65 9.540 -1.203 -2.158 553 2HB MET 65 2HB MET 65 10.292 -0.159 -0.968 554 1HG MET 65 1HG MET 65 10.664 1.012 -2.990 555 2HG MET 65 2HG MET 65 12.187 0.181 -2.746 556 1HE MET 65 1HE MET 65 8.794 -0.777 -5.581 557 2HE MET 65 2HE MET 65 8.878 0.379 -4.231 558 3HE MET 65 3HE MET 65 9.664 0.763 -5.781 559 H LEU 66 H LEU 66 9.847 -3.510 -0.062 560 HA LEU 66 HA LEU 66 11.261 -3.175 2.429 561 1HB LEU 66 1HB LEU 66 9.441 -2.307 3.682 562 2HB LEU 66 2HB LEU 66 9.783 -1.215 2.355 563 HG LEU 66 HG LEU 66 7.548 -3.257 2.299 564 1HD1 LEU 66 1HD1 LEU 66 6.125 -1.866 3.341 565 2HD1 LEU 66 2HD1 LEU 66 7.607 -1.170 4.039 566 3HD1 LEU 66 3HD1 LEU 66 6.849 -0.408 2.620 567 1HD2 LEU 66 1HD2 LEU 66 7.037 -1.019 0.640 568 2HD2 LEU 66 2HD2 LEU 66 8.702 -1.552 0.308 569 3HD2 LEU 66 3HD2 LEU 66 7.353 -2.704 0.162 570 H GLY 67 H GLY 67 8.208 -4.353 0.853 571 1HA GLY 67 1HA GLY 67 7.888 -6.690 0.535 572 2HA GLY 67 2HA GLY 67 8.795 -7.007 2.000 Start of MODEL 14 1 1H THR 1 1H THR 1 -11.817 47.504 12.207 2 HA THR 1 HA THR 1 -10.444 47.469 10.421 3 HB THR 1 HB THR 1 -8.668 48.794 12.539 4 HG1 THR 1 HG1 THR 1 -9.923 50.670 11.565 5 1HG2 THR 1 1HG2 THR 1 -8.929 49.353 9.541 6 2HG2 THR 1 2HG2 THR 1 -7.800 50.125 10.680 7 3HG2 THR 1 3HG2 THR 1 -7.594 48.411 10.245 8 H TYR 2 H TYR 2 -10.467 44.962 10.893 9 HA TYR 2 HA TYR 2 -7.849 44.092 10.285 10 1HB TYR 2 1HB TYR 2 -9.034 43.892 13.077 11 2HB TYR 2 2HB TYR 2 -8.165 42.486 12.497 12 HD1 TYR 2 HD1 TYR 2 -5.736 42.852 11.657 13 HD2 TYR 2 HD2 TYR 2 -7.872 45.699 14.032 14 HE1 TYR 2 HE1 TYR 2 -3.541 43.933 12.350 15 HE2 TYR 2 HE2 TYR 2 -5.670 46.769 14.717 16 HH TYR 2 HH TYR 2 -3.214 46.818 13.422 17 H SER 3 H SER 3 -7.801 41.810 9.691 18 HA SER 3 HA SER 3 -10.401 40.536 9.735 19 1HB SER 3 1HB SER 3 -9.082 41.634 7.363 20 2HB SER 3 2HB SER 3 -9.325 39.906 7.194 21 HG SER 3 HG SER 3 -11.550 41.248 8.254 22 H LEU 4 H LEU 4 -10.005 38.165 8.592 23 HA LEU 4 HA LEU 4 -7.371 37.143 9.028 24 1HB LEU 4 1HB LEU 4 -7.660 35.886 10.915 25 2HB LEU 4 2HB LEU 4 -8.485 37.374 11.334 26 HG LEU 4 HG LEU 4 -10.457 35.712 10.184 27 1HD1 LEU 4 1HD1 LEU 4 -10.342 33.713 11.660 28 2HD1 LEU 4 2HD1 LEU 4 -9.061 33.770 10.425 29 3HD1 LEU 4 3HD1 LEU 4 -8.688 34.189 12.115 30 1HD2 LEU 4 1HD2 LEU 4 -9.844 36.949 12.800 31 2HD2 LEU 4 2HD2 LEU 4 -11.327 36.996 11.817 32 3HD2 LEU 4 3HD2 LEU 4 -10.979 35.578 12.836 33 H ARG 5 H ARG 5 -7.660 34.512 8.918 34 HA ARG 5 HA ARG 5 -9.877 33.689 7.412 35 1HB ARG 5 1HB ARG 5 -8.684 33.197 5.274 36 2HB ARG 5 2HB ARG 5 -8.728 34.918 5.597 37 1HG ARG 5 1HG ARG 5 -6.436 35.004 6.201 38 2HG ARG 5 2HG ARG 5 -6.361 33.291 6.560 39 1HD ARG 5 1HD ARG 5 -6.020 32.697 4.351 40 2HD ARG 5 2HD ARG 5 -7.089 33.943 3.737 41 HE ARG 5 HE ARG 5 -5.270 35.423 3.598 42 1HH1 ARG 5 1HH1 ARG 5 -4.373 32.635 5.549 43 2HH1 ARG 5 2HH1 ARG 5 -2.696 33.063 5.619 44 1HH2 ARG 5 1HH2 ARG 5 -3.057 35.988 3.690 45 2HH2 ARG 5 2HH2 ARG 5 -1.942 34.983 4.554 46 H THR 6 H THR 6 -9.025 31.387 6.211 47 HA THR 6 HA THR 6 -7.068 30.084 7.917 48 HB THR 6 HB THR 6 -8.893 28.234 8.297 49 HG1 THR 6 HG1 THR 6 -10.341 30.695 7.613 50 1HG2 THR 6 1HG2 THR 6 -9.363 30.955 9.622 51 2HG2 THR 6 2HG2 THR 6 -9.816 29.363 10.277 52 3HG2 THR 6 3HG2 THR 6 -8.099 29.811 10.132 53 H PHE 7 H PHE 7 -7.218 27.528 7.176 54 HA PHE 7 HA PHE 7 -7.643 27.391 4.325 55 1HB PHE 7 1HB PHE 7 -5.328 28.341 4.620 56 2HB PHE 7 2HB PHE 7 -4.932 27.056 5.744 57 HD1 PHE 7 HD1 PHE 7 -4.649 24.735 4.917 58 HD2 PHE 7 HD2 PHE 7 -5.244 27.987 2.256 59 HE1 PHE 7 HE1 PHE 7 -3.802 23.334 3.015 60 HE2 PHE 7 HE2 PHE 7 -4.397 26.585 0.354 61 HZ PHE 7 HZ PHE 7 -3.686 24.276 0.756 62 H PHE 8 H PHE 8 -8.805 25.533 4.153 63 HA PHE 8 HA PHE 8 -7.731 23.066 4.771 64 1HB PHE 8 1HB PHE 8 -8.508 24.352 7.088 65 2HB PHE 8 2HB PHE 8 -10.043 23.635 6.640 66 HD1 PHE 8 HD1 PHE 8 -6.456 22.605 6.899 67 HD2 PHE 8 HD2 PHE 8 -10.522 21.575 7.541 68 HE1 PHE 8 HE1 PHE 8 -5.742 20.432 7.933 69 HE2 PHE 8 HE2 PHE 8 -9.809 19.402 8.575 70 HZ PHE 8 HZ PHE 8 -7.427 18.857 8.759 71 H VAL 9 H VAL 9 -9.172 21.301 4.170 72 HA VAL 9 HA VAL 9 -11.807 22.093 3.236 73 HB VAL 9 HB VAL 9 -10.603 22.548 1.283 74 1HG1 VAL 9 1HG1 VAL 9 -9.159 20.211 0.608 75 2HG1 VAL 9 2HG1 VAL 9 -8.512 21.812 1.038 76 3HG1 VAL 9 3HG1 VAL 9 -8.754 20.582 2.301 77 1HG2 VAL 9 1HG2 VAL 9 -12.360 20.324 1.393 78 2HG2 VAL 9 2HG2 VAL 9 -12.020 21.390 0.009 79 3HG2 VAL 9 3HG2 VAL 9 -11.067 19.905 0.243 80 H ARG 10 H ARG 10 -10.346 19.207 1.926 81 HA ARG 10 HA ARG 10 -10.567 17.496 4.029 82 1HB ARG 10 1HB ARG 10 -13.126 18.368 3.438 83 2HB ARG 10 2HB ARG 10 -13.028 16.940 2.426 84 1HG ARG 10 1HG ARG 10 -12.937 15.492 4.226 85 2HG ARG 10 2HG ARG 10 -11.991 16.593 5.207 86 1HD ARG 10 1HD ARG 10 -13.849 17.487 6.196 87 2HD ARG 10 2HD ARG 10 -14.691 17.653 4.668 88 HE ARG 10 HE ARG 10 -15.841 15.697 5.183 89 1HH1 ARG 10 1HH1 ARG 10 -12.734 15.620 6.835 90 2HH1 ARG 10 2HH1 ARG 10 -13.047 14.110 7.623 91 1HH2 ARG 10 1HH2 ARG 10 -16.254 13.705 6.223 92 2HH2 ARG 10 2HH2 ARG 10 -15.062 13.013 7.273 93 H GLU 11 H GLU 11 -8.834 16.439 2.991 94 HA GLU 11 HA GLU 11 -9.606 14.820 0.752 95 1HB GLU 11 1HB GLU 11 -7.711 15.497 -0.666 96 2HB GLU 11 2HB GLU 11 -8.755 16.869 -0.347 97 1HG GLU 11 1HG GLU 11 -7.205 17.910 1.067 98 2HG GLU 11 2HG GLU 11 -6.468 16.397 1.557 99 H SER 12 H SER 12 -7.967 13.072 0.323 100 HA SER 12 HA SER 12 -6.080 12.778 2.503 101 1HB SER 12 1HB SER 12 -8.175 11.558 3.133 102 2HB SER 12 2HB SER 12 -8.059 10.614 1.661 103 HG SER 12 HG SER 12 -7.135 9.393 3.338 104 H ALA 13 H ALA 13 -5.891 9.820 1.440 105 HA ALA 13 HA ALA 13 -3.726 10.219 -0.249 106 1HB ALA 13 1HB ALA 13 -4.084 7.742 -0.733 107 2HB ALA 13 2HB ALA 13 -3.951 8.179 0.987 108 3HB ALA 13 3HB ALA 13 -5.547 7.844 0.274 109 H GLU 14 H GLU 14 -5.769 7.948 -1.804 110 HA GLU 14 HA GLU 14 -6.188 7.925 -3.998 111 1HB GLU 14 1HB GLU 14 -8.321 8.385 -2.696 112 2HB GLU 14 2HB GLU 14 -8.154 10.080 -3.110 113 1HG GLU 14 1HG GLU 14 -7.857 8.866 -5.592 114 2HG GLU 14 2HG GLU 14 -9.004 7.796 -4.810 115 H GLY 15 H GLY 15 -4.012 8.967 -4.537 116 1HA GLY 15 1HA GLY 15 -3.681 10.384 -6.582 117 2HA GLY 15 2HA GLY 15 -4.396 11.682 -5.646 118 H LEU 16 H LEU 16 -2.848 9.880 -3.332 119 HA LEU 16 HA LEU 16 -0.885 11.747 -2.834 120 1HB LEU 16 1HB LEU 16 0.119 9.786 -1.478 121 2HB LEU 16 2HB LEU 16 -1.426 10.478 -1.025 122 HG LEU 16 HG LEU 16 -2.638 8.623 -1.801 123 1HD1 LEU 16 1HD1 LEU 16 -1.848 8.213 -3.958 124 2HD1 LEU 16 2HD1 LEU 16 -0.178 7.949 -3.403 125 3HD1 LEU 16 3HD1 LEU 16 -1.432 6.732 -3.062 126 1HD2 LEU 16 1HD2 LEU 16 -1.739 6.756 -0.599 127 2HD2 LEU 16 2HD2 LEU 16 -0.088 7.412 -0.706 128 3HD2 LEU 16 3HD2 LEU 16 -1.314 8.243 0.281 129 H THR 17 H THR 17 1.588 11.022 -2.657 130 HA THR 17 HA THR 17 2.361 10.480 -5.404 131 HB THR 17 HB THR 17 4.651 11.130 -4.344 132 HG1 THR 17 HG1 THR 17 4.483 11.716 -2.166 133 1HG2 THR 17 1HG2 THR 17 3.899 13.094 -5.300 134 2HG2 THR 17 2HG2 THR 17 2.238 12.848 -4.708 135 3HG2 THR 17 3HG2 THR 17 3.476 13.534 -3.628 136 H GLN 18 H GLN 18 4.073 8.950 -5.950 137 HA GLN 18 HA GLN 18 3.462 6.442 -4.986 138 1HB GLN 18 1HB GLN 18 5.341 5.665 -6.349 139 2HB GLN 18 2HB GLN 18 4.469 6.915 -7.214 140 1HG GLN 18 1HG GLN 18 6.154 8.610 -6.419 141 2HG GLN 18 2HG GLN 18 7.040 7.329 -5.615 142 1HE2 GLN 18 1HE2 GLN 18 8.657 8.388 -7.129 143 2HE2 GLN 18 2HE2 GLN 18 8.873 7.667 -8.689 144 H GLY 19 H GLY 19 5.840 8.869 -3.937 145 1HA GLY 19 1HA GLY 19 7.457 7.119 -2.383 146 2HA GLY 19 2HA GLY 19 7.391 8.868 -2.299 147 H GLU 20 H GLU 20 4.539 9.149 -1.750 148 HA GLU 20 HA GLU 20 4.650 8.834 1.021 149 1HB GLU 20 1HB GLU 20 2.985 10.151 -0.913 150 2HB GLU 20 2HB GLU 20 1.931 9.207 0.121 151 1HG GLU 20 1HG GLU 20 4.034 11.203 1.087 152 2HG GLU 20 2HG GLU 20 2.307 11.493 1.038 153 H LEU 21 H LEU 21 3.175 6.944 -1.641 154 HA LEU 21 HA LEU 21 1.582 5.306 -0.004 155 1HB LEU 21 1HB LEU 21 1.604 5.763 -2.579 156 2HB LEU 21 2HB LEU 21 2.725 4.417 -2.626 157 HG LEU 21 HG LEU 21 0.556 3.565 -3.095 158 1HD1 LEU 21 1HD1 LEU 21 2.140 2.478 -1.230 159 2HD1 LEU 21 2HD1 LEU 21 0.678 2.725 -0.246 160 3HD1 LEU 21 3HD1 LEU 21 0.595 1.753 -1.734 161 1HD2 LEU 21 1HD2 LEU 21 -1.169 4.825 -2.429 162 2HD2 LEU 21 2HD2 LEU 21 -1.100 3.866 -0.930 163 3HD2 LEU 21 3HD2 LEU 21 -0.293 5.451 -1.011 164 H MET 22 H MET 22 4.988 5.148 -1.131 165 HA MET 22 HA MET 22 5.552 2.580 -0.464 166 1HB MET 22 1HB MET 22 7.194 5.156 -0.247 167 2HB MET 22 2HB MET 22 7.918 3.582 0.017 168 1HG MET 22 1HG MET 22 6.513 3.240 -2.393 169 2HG MET 22 2HG MET 22 7.129 4.876 -2.519 170 1HE MET 22 1HE MET 22 8.977 0.909 -2.175 171 2HE MET 22 2HE MET 22 9.626 1.724 -0.732 172 3HE MET 22 3HE MET 22 7.867 1.644 -0.994 173 H LYS 23 H LYS 23 5.902 5.506 1.673 174 HA LYS 23 HA LYS 23 6.656 4.037 3.934 175 1HB LYS 23 1HB LYS 23 6.680 6.645 3.275 176 2HB LYS 23 2HB LYS 23 5.230 6.633 4.258 177 1HG LYS 23 1HG LYS 23 6.799 5.176 5.903 178 2HG LYS 23 2HG LYS 23 8.073 6.031 5.055 179 1HD LYS 23 1HD LYS 23 6.821 8.210 5.569 180 2HD LYS 23 2HD LYS 23 5.750 7.275 6.594 181 1HE LYS 23 1HE LYS 23 7.251 7.552 8.277 182 2HE LYS 23 2HE LYS 23 8.327 6.473 7.412 183 1HZ LYS 23 1HZ LYS 23 8.847 9.031 7.955 184 2HZ LYS 23 2HZ LYS 23 9.590 8.169 6.784 185 3HZ LYS 23 3HZ LYS 23 8.334 9.143 6.409 186 H LEU 24 H LEU 24 3.525 4.772 2.439 187 HA LEU 24 HA LEU 24 1.955 4.212 4.709 188 1HB LEU 24 1HB LEU 24 1.471 4.401 1.758 189 2HB LEU 24 2HB LEU 24 0.215 3.783 2.811 190 HG LEU 24 HG LEU 24 1.523 6.424 3.417 191 1HD1 LEU 24 1HD1 LEU 24 0.934 6.828 1.189 192 2HD1 LEU 24 2HD1 LEU 24 -0.561 5.870 1.310 193 3HD1 LEU 24 3HD1 LEU 24 -0.446 7.445 2.129 194 1HD2 LEU 24 1HD2 LEU 24 -1.018 5.018 4.166 195 2HD2 LEU 24 2HD2 LEU 24 0.175 5.849 5.193 196 3HD2 LEU 24 3HD2 LEU 24 -0.949 6.797 4.190 197 H ILE 25 H ILE 25 3.220 2.219 1.984 198 HA ILE 25 HA ILE 25 1.850 -0.116 2.763 199 HB ILE 25 HB ILE 25 4.061 0.593 0.900 200 1HG1 ILE 25 1HG1 ILE 25 1.407 -0.843 0.604 201 2HG1 ILE 25 2HG1 ILE 25 1.742 0.825 0.183 202 1HG2 ILE 25 1HG2 ILE 25 3.683 -2.151 0.538 203 2HG2 ILE 25 2HG2 ILE 25 5.140 -1.332 1.150 204 3HG2 ILE 25 3HG2 ILE 25 3.919 -1.945 2.290 205 1HD1 ILE 25 1HD1 ILE 25 3.670 -1.031 -1.051 206 2HD1 ILE 25 2HD1 ILE 25 1.988 -1.371 -1.525 207 3HD1 ILE 25 3HD1 ILE 25 2.683 0.244 -1.805 208 H LYS 26 H LYS 26 5.138 1.206 3.452 209 HA LYS 26 HA LYS 26 6.012 -1.035 4.890 210 1HB LYS 26 1HB LYS 26 7.357 0.906 3.873 211 2HB LYS 26 2HB LYS 26 6.952 1.804 5.321 212 1HG LYS 26 1HG LYS 26 7.799 -0.699 6.301 213 2HG LYS 26 2HG LYS 26 8.889 -0.385 4.966 214 1HD LYS 26 1HD LYS 26 9.895 1.399 6.023 215 2HD LYS 26 2HD LYS 26 8.392 1.971 6.721 216 1HE LYS 26 1HE LYS 26 9.505 1.223 8.640 217 2HE LYS 26 2HE LYS 26 8.571 -0.203 8.232 218 1HZ LYS 26 1HZ LYS 26 10.441 -1.298 7.947 219 2HZ LYS 26 2HZ LYS 26 10.979 -0.243 6.822 220 3HZ LYS 26 3HZ LYS 26 11.306 0.010 8.401 221 H GLU 27 H GLU 27 4.223 1.946 5.811 222 HA GLU 27 HA GLU 27 4.395 1.539 8.545 223 1HB GLU 27 1HB GLU 27 2.866 3.237 6.682 224 2HB GLU 27 2HB GLU 27 1.951 2.840 8.122 225 1HG GLU 27 1HG GLU 27 3.098 4.726 8.874 226 2HG GLU 27 2HG GLU 27 4.204 3.468 9.390 227 H ILE 28 H ILE 28 2.281 0.164 6.032 228 HA ILE 28 HA ILE 28 0.318 -0.833 7.799 229 HB ILE 28 HB ILE 28 1.043 -1.097 4.946 230 1HG1 ILE 28 1HG1 ILE 28 -1.776 -1.079 5.759 231 2HG1 ILE 28 2HG1 ILE 28 -0.864 0.259 6.427 232 1HG2 ILE 28 1HG2 ILE 28 0.914 -3.461 5.659 233 2HG2 ILE 28 2HG2 ILE 28 -0.728 -3.163 6.280 234 3HG2 ILE 28 3HG2 ILE 28 -0.391 -3.001 4.540 235 1HD1 ILE 28 1HD1 ILE 28 -1.315 1.226 4.394 236 2HD1 ILE 28 2HD1 ILE 28 0.098 0.282 3.865 237 3HD1 ILE 28 3HD1 ILE 28 -1.545 -0.344 3.587 238 H VAL 29 H VAL 29 3.384 -2.134 6.431 239 HA VAL 29 HA VAL 29 2.969 -4.600 7.916 240 HB VAL 29 HB VAL 29 3.722 -5.052 5.785 241 1HG1 VAL 29 1HG1 VAL 29 4.278 -3.140 4.680 242 2HG1 VAL 29 2HG1 VAL 29 5.202 -2.481 6.051 243 3HG1 VAL 29 3HG1 VAL 29 5.927 -3.725 5.004 244 1HG2 VAL 29 1HG2 VAL 29 6.435 -4.838 7.078 245 2HG2 VAL 29 2HG2 VAL 29 5.205 -5.945 7.735 246 3HG2 VAL 29 3HG2 VAL 29 5.766 -6.133 6.056 247 H GLU 30 H GLU 30 3.475 -1.799 9.112 248 HA GLU 30 HA GLU 30 6.089 -1.853 10.108 249 1HB GLU 30 1HB GLU 30 5.459 0.051 11.371 250 2HB GLU 30 2HB GLU 30 4.454 0.139 9.937 251 1HG GLU 30 1HG GLU 30 2.599 -1.014 11.224 252 2HG GLU 30 2HG GLU 30 3.604 -0.959 12.659 253 H ASN 31 H ASN 31 3.043 -3.375 11.071 254 HA ASN 31 HA ASN 31 4.510 -4.665 13.209 255 1HB ASN 31 1HB ASN 31 2.481 -4.474 14.703 256 2HB ASN 31 2HB ASN 31 3.209 -2.919 14.354 257 1HD2 ASN 31 1HD2 ASN 31 0.379 -4.419 14.689 258 2HD2 ASN 31 2HD2 ASN 31 -0.648 -3.509 13.632 259 H GLU 32 H GLU 32 4.271 -6.006 10.925 260 HA GLU 32 HA GLU 32 1.809 -7.098 10.309 261 1HB GLU 32 1HB GLU 32 3.004 -8.547 8.851 262 2HB GLU 32 2HB GLU 32 3.981 -7.094 8.929 263 1HG GLU 32 1HG GLU 32 5.740 -8.264 9.749 264 2HG GLU 32 2HG GLU 32 4.779 -8.833 11.100 265 H ASP 33 H ASP 33 2.356 -9.956 10.256 266 HA ASP 33 HA ASP 33 2.844 -10.733 12.948 267 1HB ASP 33 1HB ASP 33 0.341 -9.941 12.712 268 2HB ASP 33 2HB ASP 33 0.113 -11.427 11.812 269 H LYS 34 H LYS 34 2.693 -13.225 13.099 270 HA LYS 34 HA LYS 34 3.669 -14.350 10.655 271 1HB LYS 34 1HB LYS 34 3.965 -14.849 13.414 272 2HB LYS 34 2HB LYS 34 3.176 -16.272 12.765 273 1HG LYS 34 1HG LYS 34 5.040 -15.880 10.810 274 2HG LYS 34 2HG LYS 34 5.897 -15.163 12.160 275 1HD LYS 34 1HD LYS 34 4.601 -17.909 12.385 276 2HD LYS 34 2HD LYS 34 6.217 -17.714 11.737 277 1HE LYS 34 1HE LYS 34 5.720 -16.281 14.310 278 2HE LYS 34 2HE LYS 34 5.648 -18.028 14.417 279 1HZ LYS 34 1HZ LYS 34 7.848 -17.742 14.617 280 2HZ LYS 34 2HZ LYS 34 7.821 -17.758 12.984 281 3HZ LYS 34 3HZ LYS 34 7.894 -16.337 13.786 282 H ARG 35 H ARG 35 0.623 -14.236 12.467 283 HA ARG 35 HA ARG 35 -0.490 -16.432 11.087 284 1HB ARG 35 1HB ARG 35 -1.645 -14.220 12.839 285 2HB ARG 35 2HB ARG 35 -2.685 -15.406 12.076 286 1HG ARG 35 1HG ARG 35 -0.761 -17.048 13.183 287 2HG ARG 35 2HG ARG 35 -0.779 -15.737 14.346 288 1HD ARG 35 1HD ARG 35 -2.884 -16.266 15.110 289 2HD ARG 35 2HD ARG 35 -3.493 -16.611 13.503 290 HE ARG 35 HE ARG 35 -1.631 -18.664 14.223 291 1HH1 ARG 35 1HH1 ARG 35 -4.842 -17.510 15.083 292 2HH1 ARG 35 2HH1 ARG 35 -5.401 -19.064 15.603 293 1HH2 ARG 35 1HH2 ARG 35 -2.368 -20.715 14.909 294 2HH2 ARG 35 2HH2 ARG 35 -3.984 -20.900 15.503 295 H LYS 36 H LYS 36 -0.923 -12.821 10.970 296 HA LYS 36 HA LYS 36 -1.801 -13.148 8.192 297 1HB LYS 36 1HB LYS 36 -3.410 -12.275 10.386 298 2HB LYS 36 2HB LYS 36 -3.112 -10.887 9.359 299 1HG LYS 36 1HG LYS 36 -4.265 -11.782 7.562 300 2HG LYS 36 2HG LYS 36 -3.767 -13.424 7.917 301 1HD LYS 36 1HD LYS 36 -5.355 -13.456 9.875 302 2HD LYS 36 2HD LYS 36 -5.882 -11.840 9.452 303 1HE LYS 36 1HE LYS 36 -6.466 -12.787 7.115 304 2HE LYS 36 2HE LYS 36 -6.210 -14.380 7.797 305 1HZ LYS 36 1HZ LYS 36 -8.117 -12.390 8.817 306 2HZ LYS 36 2HZ LYS 36 -8.500 -13.717 7.946 307 3HZ LYS 36 3HZ LYS 36 -7.881 -13.877 9.449 308 HA PRO 37 HA PRO 37 1.647 -10.270 8.476 309 1HB PRO 37 1HB PRO 37 3.153 -11.341 6.462 310 2HB PRO 37 2HB PRO 37 3.360 -11.773 8.148 311 1HG PRO 37 1HG PRO 37 2.088 -13.328 5.979 312 2HG PRO 37 2HG PRO 37 2.681 -13.889 7.530 313 1HD PRO 37 1HD PRO 37 -0.057 -13.447 6.797 314 2HD PRO 37 2HD PRO 37 0.545 -13.896 8.381 315 H TYR 38 H TYR 38 2.397 -8.542 7.092 316 HA TYR 38 HA TYR 38 0.268 -7.894 5.248 317 1HB TYR 38 1HB TYR 38 2.822 -6.585 6.352 318 2HB TYR 38 2HB TYR 38 1.838 -5.773 5.150 319 HD1 TYR 38 HD1 TYR 38 -0.687 -5.424 5.750 320 HD2 TYR 38 HD2 TYR 38 2.354 -6.302 8.629 321 HE1 TYR 38 HE1 TYR 38 -2.155 -4.481 7.599 322 HE2 TYR 38 HE2 TYR 38 0.875 -5.356 10.468 323 HH TYR 38 HH TYR 38 -1.431 -4.962 10.897 324 H SER 39 H SER 39 1.512 -10.125 4.227 325 HA SER 39 HA SER 39 3.725 -9.534 2.642 326 1HB SER 39 1HB SER 39 1.688 -11.660 1.926 327 2HB SER 39 2HB SER 39 3.428 -11.705 1.724 328 HG SER 39 HG SER 39 2.235 -12.880 3.644 329 H ASP 40 H ASP 40 3.584 -9.830 0.098 330 HA ASP 40 HA ASP 40 2.429 -7.675 -0.970 331 1HB ASP 40 1HB ASP 40 2.353 -9.188 -3.156 332 2HB ASP 40 2HB ASP 40 3.887 -8.751 -2.430 333 H GLN 41 H GLN 41 0.993 -10.884 -0.296 334 HA GLN 41 HA GLN 41 -1.293 -10.550 -1.862 335 1HB GLN 41 1HB GLN 41 -1.261 -12.750 -1.319 336 2HB GLN 41 2HB GLN 41 -0.243 -12.473 0.080 337 1HG GLN 41 1HG GLN 41 -3.228 -11.849 0.080 338 2HG GLN 41 2HG GLN 41 -2.595 -13.414 0.550 339 1HE2 GLN 41 1HE2 GLN 41 -3.931 -11.009 1.915 340 2HE2 GLN 41 2HE2 GLN 41 -2.996 -10.741 3.349 341 H GLU 42 H GLU 42 -0.394 -9.579 1.454 342 HA GLU 42 HA GLU 42 -3.074 -8.882 2.115 343 1HB GLU 42 1HB GLU 42 -0.915 -9.547 3.617 344 2HB GLU 42 2HB GLU 42 -0.762 -7.803 3.691 345 1HG GLU 42 1HG GLU 42 -3.548 -8.680 4.097 346 2HG GLU 42 2HG GLU 42 -2.460 -9.392 5.272 347 H ILE 43 H ILE 43 -0.043 -6.867 2.093 348 HA ILE 43 HA ILE 43 -1.117 -4.424 2.091 349 HB ILE 43 HB ILE 43 1.333 -5.636 1.043 350 1HG1 ILE 43 1HG1 ILE 43 1.323 -2.949 2.286 351 2HG1 ILE 43 2HG1 ILE 43 0.616 -4.222 3.261 352 1HG2 ILE 43 1HG2 ILE 43 2.097 -3.720 -0.218 353 2HG2 ILE 43 2HG2 ILE 43 0.613 -4.370 -0.956 354 3HG2 ILE 43 3HG2 ILE 43 0.541 -2.891 0.032 355 1HD1 ILE 43 1HD1 ILE 43 2.787 -4.624 3.871 356 2HD1 ILE 43 2HD1 ILE 43 2.859 -5.509 2.328 357 3HD1 ILE 43 3HD1 ILE 43 3.442 -3.830 2.419 358 H ALA 44 H ALA 44 -0.672 -6.477 -0.864 359 HA ALA 44 HA ALA 44 -1.751 -4.647 -2.655 360 1HB ALA 44 1HB ALA 44 -0.442 -6.704 -3.208 361 2HB ALA 44 2HB ALA 44 -1.851 -7.689 -2.748 362 3HB ALA 44 3HB ALA 44 -1.957 -6.577 -4.133 363 H ASN 45 H ASN 45 -3.294 -7.253 -0.676 364 HA ASN 45 HA ASN 45 -5.828 -6.859 -1.755 365 1HB ASN 45 1HB ASN 45 -4.630 -8.268 0.598 366 2HB ASN 45 2HB ASN 45 -6.317 -7.835 0.794 367 1HD2 ASN 45 1HD2 ASN 45 -4.135 -9.113 -1.720 368 2HD2 ASN 45 2HD2 ASN 45 -5.182 -10.364 -2.303 369 H ILE 46 H ILE 46 -3.869 -5.154 0.617 370 HA ILE 46 HA ILE 46 -5.932 -4.017 2.152 371 HB ILE 46 HB ILE 46 -3.081 -3.941 1.984 372 1HG1 ILE 46 1HG1 ILE 46 -5.017 -3.005 4.123 373 2HG1 ILE 46 2HG1 ILE 46 -4.427 -4.643 3.924 374 1HG2 ILE 46 1HG2 ILE 46 -4.286 -1.210 2.478 375 2HG2 ILE 46 2HG2 ILE 46 -2.566 -1.666 2.457 376 3HG2 ILE 46 3HG2 ILE 46 -3.512 -1.692 0.949 377 1HD1 ILE 46 1HD1 ILE 46 -3.169 -3.314 5.665 378 2HD1 ILE 46 2HD1 ILE 46 -2.127 -3.949 4.368 379 3HD1 ILE 46 3HD1 ILE 46 -2.605 -2.234 4.367 380 H LEU 47 H LEU 47 -4.305 -3.098 -0.913 381 HA LEU 47 HA LEU 47 -5.295 -0.523 -1.112 382 1HB LEU 47 1HB LEU 47 -4.377 -0.533 -3.159 383 2HB LEU 47 2HB LEU 47 -3.596 -1.969 -2.529 384 HG LEU 47 HG LEU 47 -5.854 -3.055 -3.622 385 1HD1 LEU 47 1HD1 LEU 47 -6.711 -1.058 -4.587 386 2HD1 LEU 47 2HD1 LEU 47 -5.128 -0.631 -5.280 387 3HD1 LEU 47 3HD1 LEU 47 -6.030 -2.029 -5.914 388 1HD2 LEU 47 1HD2 LEU 47 -3.065 -3.060 -4.090 389 2HD2 LEU 47 2HD2 LEU 47 -4.275 -4.258 -4.607 390 3HD2 LEU 47 3HD2 LEU 47 -3.858 -2.897 -5.676 391 H LYS 48 H LYS 48 -6.808 -3.696 -1.773 392 HA LYS 48 HA LYS 48 -9.003 -2.793 -3.203 393 1HB LYS 48 1HB LYS 48 -8.222 -5.170 -2.853 394 2HB LYS 48 2HB LYS 48 -8.947 -5.116 -1.259 395 1HG LYS 48 1HG LYS 48 -10.956 -4.110 -2.984 396 2HG LYS 48 2HG LYS 48 -10.241 -5.440 -3.873 397 1HD LYS 48 1HD LYS 48 -10.750 -7.026 -2.161 398 2HD LYS 48 2HD LYS 48 -10.985 -5.783 -0.949 399 1HE LYS 48 1HE LYS 48 -13.195 -6.477 -1.520 400 2HE LYS 48 2HE LYS 48 -12.984 -4.961 -2.372 401 1HZ LYS 48 1HZ LYS 48 -12.180 -7.341 -3.787 402 2HZ LYS 48 2HZ LYS 48 -13.785 -7.151 -3.552 403 3HZ LYS 48 3HZ LYS 48 -12.934 -6.003 -4.343 404 H GLU 49 H GLU 49 -8.081 -2.264 0.107 405 HA GLU 49 HA GLU 49 -10.592 -2.060 1.247 406 1HB GLU 49 1HB GLU 49 -9.490 -1.052 3.088 407 2HB GLU 49 2HB GLU 49 -8.268 -2.084 2.371 408 1HG GLU 49 1HG GLU 49 -6.942 -0.235 2.311 409 2HG GLU 49 2HG GLU 49 -7.922 0.290 0.956 410 H LYS 50 H LYS 50 -9.341 -0.317 -1.337 411 HA LYS 50 HA LYS 50 -10.013 1.489 -2.414 412 1HB LYS 50 1HB LYS 50 -12.272 0.787 -2.142 413 2HB LYS 50 2HB LYS 50 -12.319 1.303 -0.468 414 1HG LYS 50 1HG LYS 50 -11.541 3.517 -2.236 415 2HG LYS 50 2HG LYS 50 -13.073 2.825 -2.729 416 1HD LYS 50 1HD LYS 50 -13.226 2.970 0.099 417 2HD LYS 50 2HD LYS 50 -12.456 4.469 -0.382 418 1HE LYS 50 1HE LYS 50 -14.848 3.591 -1.984 419 2HE LYS 50 2HE LYS 50 -15.149 4.162 -0.355 420 1HZ LYS 50 1HZ LYS 50 -13.427 5.975 -1.337 421 2HZ LYS 50 2HZ LYS 50 -14.340 5.630 -2.647 422 3HZ LYS 50 3HZ LYS 50 -15.049 6.157 -1.273 423 H GLY 51 H GLY 51 -7.925 1.722 -0.580 424 1HA GLY 51 1HA GLY 51 -8.379 4.453 0.466 425 2HA GLY 51 2HA GLY 51 -7.475 3.237 1.347 426 H PHE 52 H PHE 52 -6.853 2.557 -1.865 427 HA PHE 52 HA PHE 52 -4.995 4.628 -2.449 428 1HB PHE 52 1HB PHE 52 -4.081 1.834 -1.535 429 2HB PHE 52 2HB PHE 52 -3.012 2.994 -2.297 430 HD1 PHE 52 HD1 PHE 52 -3.927 1.681 0.751 431 HD2 PHE 52 HD2 PHE 52 -3.150 5.429 -1.080 432 HE1 PHE 52 HE1 PHE 52 -3.400 2.669 2.997 433 HE2 PHE 52 HE2 PHE 52 -2.623 6.418 1.166 434 HZ PHE 52 HZ PHE 52 -2.754 5.026 3.178 435 H LYS 53 H LYS 53 -3.578 3.918 -4.428 436 HA LYS 53 HA LYS 53 -5.245 2.153 -6.083 437 1HB LYS 53 1HB LYS 53 -5.271 4.618 -6.645 438 2HB LYS 53 2HB LYS 53 -3.569 4.487 -7.040 439 1HG LYS 53 1HG LYS 53 -4.634 2.336 -8.440 440 2HG LYS 53 2HG LYS 53 -5.938 3.502 -8.541 441 1HD LYS 53 1HD LYS 53 -4.013 5.207 -9.190 442 2HD LYS 53 2HD LYS 53 -3.092 3.760 -9.551 443 1HE LYS 53 1HE LYS 53 -5.886 3.900 -10.659 444 2HE LYS 53 2HE LYS 53 -4.696 4.966 -11.379 445 1HZ LYS 53 1HZ LYS 53 -3.287 2.831 -11.430 446 2HZ LYS 53 2HZ LYS 53 -4.721 2.059 -11.310 447 3HZ LYS 53 3HZ LYS 53 -4.436 3.059 -12.569 448 H VAL 54 H VAL 54 -3.707 0.596 -4.750 449 HA VAL 54 HA VAL 54 -1.098 0.455 -6.050 450 HB VAL 54 HB VAL 54 -1.983 -1.404 -3.891 451 1HG1 VAL 54 1HG1 VAL 54 0.408 -0.896 -5.212 452 2HG1 VAL 54 2HG1 VAL 54 0.607 -0.070 -3.648 453 3HG1 VAL 54 3HG1 VAL 54 0.212 -1.805 -3.694 454 1HG2 VAL 54 1HG2 VAL 54 -1.315 0.294 -2.175 455 2HG2 VAL 54 2HG2 VAL 54 -1.319 1.526 -3.459 456 3HG2 VAL 54 3HG2 VAL 54 -2.827 0.682 -3.031 457 H ALA 55 H ALA 55 -0.567 -2.252 -5.999 458 HA ALA 55 HA ALA 55 -2.589 -3.921 -6.893 459 1HB ALA 55 1HB ALA 55 -2.713 -3.686 -9.167 460 2HB ALA 55 2HB ALA 55 -2.279 -2.004 -8.777 461 3HB ALA 55 3HB ALA 55 -1.023 -3.146 -9.312 462 H ARG 56 H ARG 56 -1.715 -6.018 -7.584 463 HA ARG 56 HA ARG 56 0.308 -6.913 -6.184 464 1HB ARG 56 1HB ARG 56 -0.899 -7.721 -8.793 465 2HB ARG 56 2HB ARG 56 0.677 -8.422 -8.482 466 1HG ARG 56 1HG ARG 56 -1.012 -8.525 -6.082 467 2HG ARG 56 2HG ARG 56 -1.804 -9.299 -7.440 468 1HD ARG 56 1HD ARG 56 1.096 -9.961 -7.112 469 2HD ARG 56 2HD ARG 56 0.048 -10.545 -5.835 470 HE ARG 56 HE ARG 56 0.188 -11.581 -8.520 471 1HH1 ARG 56 1HH1 ARG 56 -2.121 -10.916 -5.949 472 2HH1 ARG 56 2HH1 ARG 56 -3.236 -12.138 -6.461 473 1HH2 ARG 56 1HH2 ARG 56 -1.283 -13.194 -9.195 474 2HH2 ARG 56 2HH2 ARG 56 -2.757 -13.443 -8.319 475 H ARG 57 H ARG 57 0.584 -5.418 -9.469 476 HA ARG 57 HA ARG 57 3.270 -5.885 -9.807 477 1HB ARG 57 1HB ARG 57 1.426 -4.919 -11.436 478 2HB ARG 57 2HB ARG 57 1.912 -3.355 -10.811 479 1HG ARG 57 1HG ARG 57 4.358 -4.626 -11.386 480 2HG ARG 57 2HG ARG 57 3.315 -5.128 -12.701 481 1HD ARG 57 1HD ARG 57 3.022 -2.253 -12.059 482 2HD ARG 57 2HD ARG 57 4.659 -2.675 -12.522 483 HE ARG 57 HE ARG 57 2.583 -3.795 -14.282 484 1HH1 ARG 57 1HH1 ARG 57 4.750 -1.088 -13.684 485 2HH1 ARG 57 2HH1 ARG 57 4.728 -0.541 -15.327 486 1HH2 ARG 57 1HH2 ARG 57 2.552 -3.074 -16.450 487 2HH2 ARG 57 2HH2 ARG 57 3.469 -1.679 -16.911 488 H THR 58 H THR 58 1.578 -2.863 -8.666 489 HA THR 58 HA THR 58 3.925 -1.475 -8.024 490 HB THR 58 HB THR 58 0.973 -1.294 -7.341 491 HG1 THR 58 HG1 THR 58 1.604 0.823 -8.470 492 1HG2 THR 58 1HG2 THR 58 3.057 0.755 -6.462 493 2HG2 THR 58 2HG2 THR 58 1.322 0.721 -6.067 494 3HG2 THR 58 3HG2 THR 58 2.424 -0.472 -5.339 495 H VAL 59 H VAL 59 1.931 -3.795 -6.163 496 HA VAL 59 HA VAL 59 3.178 -3.282 -3.697 497 HB VAL 59 HB VAL 59 1.946 -5.882 -4.603 498 1HG1 VAL 59 1HG1 VAL 59 2.345 -4.509 -1.942 499 2HG1 VAL 59 2HG1 VAL 59 1.110 -5.771 -2.165 500 3HG1 VAL 59 3HG1 VAL 59 2.827 -6.148 -2.442 501 1HG2 VAL 59 1HG2 VAL 59 0.720 -3.347 -4.758 502 2HG2 VAL 59 2HG2 VAL 59 -0.060 -4.943 -4.869 503 3HG2 VAL 59 3HG2 VAL 59 0.063 -4.120 -3.296 504 H ALA 60 H ALA 60 3.903 -5.467 -6.457 505 HA ALA 60 HA ALA 60 5.912 -6.929 -5.159 506 1HB ALA 60 1HB ALA 60 4.603 -7.287 -7.416 507 2HB ALA 60 2HB ALA 60 5.937 -6.339 -8.116 508 3HB ALA 60 3HB ALA 60 6.280 -7.863 -7.264 509 H LYS 61 H LYS 61 5.921 -3.874 -7.078 510 HA LYS 61 HA LYS 61 8.709 -3.600 -7.134 511 1HB LYS 61 1HB LYS 61 6.752 -2.403 -8.447 512 2HB LYS 61 2HB LYS 61 6.867 -1.231 -7.149 513 1HG LYS 61 1HG LYS 61 8.852 -0.404 -7.916 514 2HG LYS 61 2HG LYS 61 9.524 -2.003 -8.163 515 1HD LYS 61 1HD LYS 61 9.141 -1.878 -10.394 516 2HD LYS 61 2HD LYS 61 7.436 -1.573 -10.127 517 1HE LYS 61 1HE LYS 61 9.302 0.727 -9.618 518 2HE LYS 61 2HE LYS 61 9.097 0.243 -11.290 519 1HZ LYS 61 1HZ LYS 61 7.047 1.159 -9.420 520 2HZ LYS 61 2HZ LYS 61 7.416 1.751 -10.896 521 3HZ LYS 61 3HZ LYS 61 6.639 0.321 -10.761 522 H TYR 62 H TYR 62 6.174 -2.419 -4.845 523 HA TYR 62 HA TYR 62 7.997 -0.998 -3.224 524 1HB TYR 62 1HB TYR 62 5.191 -2.208 -3.043 525 2HB TYR 62 2HB TYR 62 5.895 -1.494 -1.606 526 HD1 TYR 62 HD1 TYR 62 4.841 0.531 -1.183 527 HD2 TYR 62 HD2 TYR 62 5.936 -0.424 -5.207 528 HE1 TYR 62 HE1 TYR 62 4.060 2.826 -1.947 529 HE2 TYR 62 HE2 TYR 62 5.151 1.875 -5.958 530 HH TYR 62 HH TYR 62 4.180 3.719 -5.383 531 H ARG 63 H ARG 63 6.681 -4.352 -3.175 532 HA ARG 63 HA ARG 63 7.440 -5.092 -0.700 533 1HB ARG 63 1HB ARG 63 6.201 -6.644 -2.058 534 2HB ARG 63 2HB ARG 63 7.397 -6.612 -3.339 535 1HG ARG 63 1HG ARG 63 8.696 -8.205 -2.334 536 2HG ARG 63 2HG ARG 63 8.537 -7.472 -0.750 537 1HD ARG 63 1HD ARG 63 6.467 -8.589 -0.303 538 2HD ARG 63 2HD ARG 63 6.195 -8.959 -1.995 539 HE ARG 63 HE ARG 63 7.652 -10.808 -1.827 540 1HH1 ARG 63 1HH1 ARG 63 7.871 -8.824 1.071 541 2HH1 ARG 63 2HH1 ARG 63 8.787 -9.996 1.959 542 1HH2 ARG 63 1HH2 ARG 63 8.861 -12.354 -0.656 543 2HH2 ARG 63 2HH2 ARG 63 9.355 -12.017 0.969 544 H GLU 64 H GLU 64 9.431 -4.893 -3.703 545 HA GLU 64 HA GLU 64 11.699 -6.060 -2.531 546 1HB GLU 64 1HB GLU 64 10.929 -5.442 -5.092 547 2HB GLU 64 2HB GLU 64 12.087 -4.160 -4.797 548 1HG GLU 64 1HG GLU 64 13.878 -5.600 -4.761 549 2HG GLU 64 2HG GLU 64 13.004 -6.833 -3.875 550 H MET 65 H MET 65 10.487 -2.701 -2.915 551 HA MET 65 HA MET 65 12.863 -1.488 -2.070 552 1HB MET 65 1HB MET 65 10.006 -0.737 -2.574 553 2HB MET 65 2HB MET 65 10.833 0.306 -1.435 554 1HG MET 65 1HG MET 65 11.505 1.396 -3.353 555 2HG MET 65 2HG MET 65 12.764 0.176 -3.351 556 1HE MET 65 1HE MET 65 9.003 0.502 -4.130 557 2HE MET 65 2HE MET 65 9.725 1.624 -5.309 558 3HE MET 65 3HE MET 65 8.919 0.140 -5.871 559 H LEU 66 H LEU 66 10.278 -3.140 -0.386 560 HA LEU 66 HA LEU 66 11.617 -2.628 2.115 561 1HB LEU 66 1HB LEU 66 9.483 -1.964 3.232 562 2HB LEU 66 2HB LEU 66 10.223 -0.752 2.205 563 HG LEU 66 HG LEU 66 8.120 -2.479 0.979 564 1HD1 LEU 66 1HD1 LEU 66 7.659 -1.024 3.417 565 2HD1 LEU 66 2HD1 LEU 66 6.742 -0.280 2.084 566 3HD1 LEU 66 3HD1 LEU 66 6.532 -2.008 2.453 567 1HD2 LEU 66 1HD2 LEU 66 9.296 -0.802 -0.356 568 2HD2 LEU 66 2HD2 LEU 66 7.566 -0.412 -0.202 569 3HD2 LEU 66 3HD2 LEU 66 8.768 0.474 0.766 570 H GLY 67 H GLY 67 11.984 -4.950 1.203 571 1HA GLY 67 1HA GLY 67 10.782 -6.792 2.818 572 2HA GLY 67 2HA GLY 67 9.762 -6.758 1.393 Start of MODEL 15 1 1H THR 1 1H THR 1 -13.481 44.544 15.280 2 HA THR 1 HA THR 1 -15.522 43.886 15.867 3 HB THR 1 HB THR 1 -16.050 46.302 15.519 4 HG1 THR 1 HG1 THR 1 -17.812 44.900 16.067 5 1HG2 THR 1 1HG2 THR 1 -17.550 46.132 13.088 6 2HG2 THR 1 2HG2 THR 1 -16.129 47.156 13.402 7 3HG2 THR 1 3HG2 THR 1 -15.918 45.530 12.711 8 H TYR 2 H TYR 2 -14.533 41.912 14.649 9 HA TYR 2 HA TYR 2 -16.689 40.774 13.198 10 1HB TYR 2 1HB TYR 2 -14.183 41.882 11.881 11 2HB TYR 2 2HB TYR 2 -14.761 40.339 11.282 12 HD1 TYR 2 HD1 TYR 2 -17.669 40.611 11.308 13 HD2 TYR 2 HD2 TYR 2 -14.681 43.495 10.280 14 HE1 TYR 2 HE1 TYR 2 -19.338 41.820 9.819 15 HE2 TYR 2 HE2 TYR 2 -16.360 44.694 8.794 16 HH TYR 2 HH TYR 2 -19.736 43.676 8.703 17 H SER 3 H SER 3 -15.945 38.497 12.312 18 HA SER 3 HA SER 3 -13.875 37.496 14.099 19 1HB SER 3 1HB SER 3 -16.537 37.016 14.528 20 2HB SER 3 2HB SER 3 -16.155 35.668 13.475 21 HG SER 3 HG SER 3 -14.753 34.825 14.959 22 H LEU 4 H LEU 4 -13.721 34.860 13.298 23 HA LEU 4 HA LEU 4 -13.665 34.864 10.387 24 1HB LEU 4 1HB LEU 4 -11.403 34.350 10.186 25 2HB LEU 4 2HB LEU 4 -11.475 35.730 11.264 26 HG LEU 4 HG LEU 4 -11.524 33.367 12.872 27 1HD1 LEU 4 1HD1 LEU 4 -9.293 32.429 12.257 28 2HD1 LEU 4 2HD1 LEU 4 -10.579 32.104 11.070 29 3HD1 LEU 4 3HD1 LEU 4 -9.368 33.368 10.747 30 1HD2 LEU 4 1HD2 LEU 4 -9.809 34.407 14.025 31 2HD2 LEU 4 2HD2 LEU 4 -9.127 35.151 12.559 32 3HD2 LEU 4 3HD2 LEU 4 -10.639 35.781 13.257 33 H ARG 5 H ARG 5 -13.945 32.803 9.483 34 HA ARG 5 HA ARG 5 -14.905 30.896 11.396 35 1HB ARG 5 1HB ARG 5 -15.690 31.635 8.815 36 2HB ARG 5 2HB ARG 5 -14.889 30.102 8.534 37 1HG ARG 5 1HG ARG 5 -16.315 29.194 10.522 38 2HG ARG 5 2HG ARG 5 -17.264 30.659 10.355 39 1HD ARG 5 1HD ARG 5 -18.295 29.915 8.451 40 2HD ARG 5 2HD ARG 5 -16.797 29.328 7.757 41 HE ARG 5 HE ARG 5 -17.787 27.689 9.984 42 1HH1 ARG 5 1HH1 ARG 5 -17.879 28.217 6.506 43 2HH1 ARG 5 2HH1 ARG 5 -18.377 26.598 6.145 44 1HH2 ARG 5 1HH2 ARG 5 -18.444 25.552 9.508 45 2HH2 ARG 5 2HH2 ARG 5 -18.701 25.072 7.863 46 H THR 6 H THR 6 -14.432 28.424 10.233 47 HA THR 6 HA THR 6 -11.586 28.241 9.647 48 HB THR 6 HB THR 6 -11.438 26.449 11.503 49 HG1 THR 6 HG1 THR 6 -13.693 26.200 11.913 50 1HG2 THR 6 1HG2 THR 6 -10.907 28.012 13.203 51 2HG2 THR 6 2HG2 THR 6 -10.752 29.008 11.736 52 3HG2 THR 6 3HG2 THR 6 -12.224 29.112 12.731 53 H PHE 7 H PHE 7 -11.255 25.519 9.723 54 HA PHE 7 HA PHE 7 -13.416 24.557 7.988 55 1HB PHE 7 1HB PHE 7 -10.548 25.066 7.513 56 2HB PHE 7 2HB PHE 7 -10.893 23.363 7.281 57 HD1 PHE 7 HD1 PHE 7 -12.647 22.693 5.604 58 HD2 PHE 7 HD2 PHE 7 -11.198 26.671 5.901 59 HE1 PHE 7 HE1 PHE 7 -13.521 23.184 3.303 60 HE2 PHE 7 HE2 PHE 7 -12.073 27.161 3.600 61 HZ PHE 7 HZ PHE 7 -13.224 25.412 2.328 62 H PHE 8 H PHE 8 -12.617 21.986 7.521 63 HA PHE 8 HA PHE 8 -12.702 20.884 10.216 64 1HB PHE 8 1HB PHE 8 -13.993 20.421 7.706 65 2HB PHE 8 2HB PHE 8 -12.902 19.061 7.885 66 HD1 PHE 8 HD1 PHE 8 -15.830 20.759 9.296 67 HD2 PHE 8 HD2 PHE 8 -13.263 17.393 9.592 68 HE1 PHE 8 HE1 PHE 8 -17.483 19.631 10.812 69 HE2 PHE 8 HE2 PHE 8 -14.916 16.265 11.108 70 HZ PHE 8 HZ PHE 8 -17.006 17.398 11.699 71 H VAL 9 H VAL 9 -10.981 20.463 7.048 72 HA VAL 9 HA VAL 9 -9.025 19.568 6.545 73 HB VAL 9 HB VAL 9 -8.533 20.678 9.285 74 1HG1 VAL 9 1HG1 VAL 9 -6.857 18.705 7.887 75 2HG1 VAL 9 2HG1 VAL 9 -5.996 20.197 8.335 76 3HG1 VAL 9 3HG1 VAL 9 -6.829 19.241 9.584 77 1HG2 VAL 9 1HG2 VAL 9 -6.895 21.545 6.998 78 2HG2 VAL 9 2HG2 VAL 9 -8.642 21.811 6.782 79 3HG2 VAL 9 3HG2 VAL 9 -7.804 22.504 8.191 80 H ARG 10 H ARG 10 -9.843 17.444 6.217 81 HA ARG 10 HA ARG 10 -8.766 15.603 8.115 82 1HB ARG 10 1HB ARG 10 -11.567 16.246 8.179 83 2HB ARG 10 2HB ARG 10 -11.440 14.644 7.479 84 1HG ARG 10 1HG ARG 10 -10.119 13.851 9.402 85 2HG ARG 10 2HG ARG 10 -10.058 15.467 10.075 86 1HD ARG 10 1HD ARG 10 -12.046 15.138 11.122 87 2HD ARG 10 2HD ARG 10 -12.832 14.830 9.586 88 HE ARG 10 HE ARG 10 -11.328 12.505 10.391 89 1HH1 ARG 10 1HH1 ARG 10 -14.276 14.274 11.142 90 2HH1 ARG 10 2HH1 ARG 10 -15.107 12.882 11.753 91 1HH2 ARG 10 1HH2 ARG 10 -12.424 10.669 11.197 92 2HH2 ARG 10 2HH2 ARG 10 -14.046 10.818 11.784 93 H GLU 11 H GLU 11 -11.194 15.701 5.391 94 HA GLU 11 HA GLU 11 -11.407 14.294 3.689 95 1HB GLU 11 1HB GLU 11 -9.822 14.807 1.935 96 2HB GLU 11 2HB GLU 11 -10.010 16.247 2.915 97 1HG GLU 11 1HG GLU 11 -7.866 14.460 3.902 98 2HG GLU 11 2HG GLU 11 -7.583 15.020 2.266 99 H SER 12 H SER 12 -9.003 13.072 2.229 100 HA SER 12 HA SER 12 -8.188 11.090 4.164 101 1HB SER 12 1HB SER 12 -10.347 10.585 2.460 102 2HB SER 12 2HB SER 12 -9.000 9.857 1.607 103 HG SER 12 HG SER 12 -9.507 9.369 4.412 104 H ALA 13 H ALA 13 -7.175 9.295 2.005 105 HA ALA 13 HA ALA 13 -4.666 10.396 1.646 106 1HB ALA 13 1HB ALA 13 -4.934 8.039 1.506 107 2HB ALA 13 2HB ALA 13 -6.202 8.175 0.264 108 3HB ALA 13 3HB ALA 13 -4.511 8.553 -0.144 109 H GLU 14 H GLU 14 -5.968 9.375 -1.424 110 HA GLU 14 HA GLU 14 -6.140 10.364 -3.349 111 1HB GLU 14 1HB GLU 14 -8.132 11.411 -2.329 112 2HB GLU 14 2HB GLU 14 -7.155 12.726 -1.708 113 1HG GLU 14 1HG GLU 14 -6.445 12.962 -4.292 114 2HG GLU 14 2HG GLU 14 -7.974 12.146 -4.554 115 H GLY 15 H GLY 15 -4.799 11.434 -4.839 116 1HA GLY 15 1HA GLY 15 -3.008 12.565 -5.583 117 2HA GLY 15 2HA GLY 15 -3.284 13.721 -4.296 118 H LEU 16 H LEU 16 -2.955 10.523 -3.055 119 HA LEU 16 HA LEU 16 -0.865 10.982 -1.440 120 1HB LEU 16 1HB LEU 16 -2.434 8.920 -1.818 121 2HB LEU 16 2HB LEU 16 -1.099 8.313 -2.777 122 HG LEU 16 HG LEU 16 0.309 8.083 -0.948 123 1HD1 LEU 16 1HD1 LEU 16 0.395 10.160 0.071 124 2HD1 LEU 16 2HD1 LEU 16 -1.364 10.221 0.343 125 3HD1 LEU 16 3HD1 LEU 16 -0.346 9.144 1.330 126 1HD2 LEU 16 1HD2 LEU 16 -0.768 6.484 0.188 127 2HD2 LEU 16 2HD2 LEU 16 -2.014 7.606 0.783 128 3HD2 LEU 16 3HD2 LEU 16 -2.160 6.895 -0.842 129 H THR 17 H THR 17 1.426 10.660 -1.468 130 HA THR 17 HA THR 17 2.550 11.133 -4.119 131 HB THR 17 HB THR 17 4.605 11.637 -2.580 132 HG1 THR 17 HG1 THR 17 2.545 11.945 -0.591 133 1HG2 THR 17 1HG2 THR 17 3.472 13.607 -3.334 134 2HG2 THR 17 2HG2 THR 17 1.976 13.174 -2.473 135 3HG2 THR 17 3HG2 THR 17 3.398 13.733 -1.560 136 H GLN 18 H GLN 18 4.500 10.011 -4.830 137 HA GLN 18 HA GLN 18 4.134 7.274 -4.677 138 1HB GLN 18 1HB GLN 18 6.257 7.135 -5.943 139 2HB GLN 18 2HB GLN 18 5.216 8.388 -6.588 140 1HG GLN 18 1HG GLN 18 6.639 9.829 -4.717 141 2HG GLN 18 2HG GLN 18 7.837 8.638 -5.183 142 1HE2 GLN 18 1HE2 GLN 18 9.184 9.719 -6.438 143 2HE2 GLN 18 2HE2 GLN 18 8.777 10.589 -7.880 144 H GLY 19 H GLY 19 6.148 9.542 -2.801 145 1HA GLY 19 1HA GLY 19 7.777 7.536 -1.577 146 2HA GLY 19 2HA GLY 19 7.617 9.217 -1.111 147 H GLU 20 H GLU 20 4.755 9.324 -0.712 148 HA GLU 20 HA GLU 20 4.662 8.400 1.904 149 1HB GLU 20 1HB GLU 20 2.652 9.565 -0.025 150 2HB GLU 20 2HB GLU 20 2.082 8.912 1.497 151 1HG GLU 20 1HG GLU 20 4.430 10.827 1.492 152 2HG GLU 20 2HG GLU 20 2.806 11.462 1.326 153 H LEU 21 H LEU 21 3.302 7.126 -1.185 154 HA LEU 21 HA LEU 21 1.730 5.120 -0.134 155 1HB LEU 21 1HB LEU 21 2.829 5.893 -2.686 156 2HB LEU 21 2HB LEU 21 2.870 4.150 -2.514 157 HG LEU 21 HG LEU 21 0.816 4.457 -3.491 158 1HD1 LEU 21 1HD1 LEU 21 -0.417 4.857 -0.837 159 2HD1 LEU 21 2HD1 LEU 21 -0.622 3.545 -2.022 160 3HD1 LEU 21 3HD1 LEU 21 0.787 3.549 -0.934 161 1HD2 LEU 21 1HD2 LEU 21 0.031 6.508 -3.788 162 2HD2 LEU 21 2HD2 LEU 21 -0.563 6.506 -2.110 163 3HD2 LEU 21 3HD2 LEU 21 1.063 7.129 -2.478 164 H MET 22 H MET 22 5.263 5.187 -0.844 165 HA MET 22 HA MET 22 5.753 2.527 -0.408 166 1HB MET 22 1HB MET 22 7.405 5.057 0.087 167 2HB MET 22 2HB MET 22 8.098 3.459 0.283 168 1HG MET 22 1HG MET 22 6.863 4.574 -2.282 169 2HG MET 22 2HG MET 22 8.573 4.330 -1.985 170 1HE MET 22 1HE MET 22 7.696 1.535 -0.056 171 2HE MET 22 2HE MET 22 8.361 0.356 -1.212 172 3HE MET 22 3HE MET 22 9.264 1.844 -0.841 173 H LYS 23 H LYS 23 6.195 5.256 1.967 174 HA LYS 23 HA LYS 23 6.716 3.588 4.136 175 1HB LYS 23 1HB LYS 23 5.786 6.448 3.873 176 2HB LYS 23 2HB LYS 23 5.998 5.699 5.442 177 1HG LYS 23 1HG LYS 23 8.298 5.640 5.263 178 2HG LYS 23 2HG LYS 23 8.265 5.276 3.549 179 1HD LYS 23 1HD LYS 23 9.164 7.493 3.711 180 2HD LYS 23 2HD LYS 23 7.516 7.700 3.151 181 1HE LYS 23 1HE LYS 23 6.846 8.019 5.623 182 2HE LYS 23 2HE LYS 23 8.557 8.091 5.992 183 1HZ LYS 23 1HZ LYS 23 7.701 9.777 3.830 184 2HZ LYS 23 2HZ LYS 23 7.120 10.190 5.299 185 3HZ LYS 23 3HZ LYS 23 8.732 10.096 5.056 186 H LEU 24 H LEU 24 3.731 4.474 2.491 187 HA LEU 24 HA LEU 24 1.981 3.942 4.631 188 1HB LEU 24 1HB LEU 24 1.651 5.176 2.360 189 2HB LEU 24 2HB LEU 24 1.266 3.582 1.741 190 HG LEU 24 HG LEU 24 -0.159 4.938 4.048 191 1HD1 LEU 24 1HD1 LEU 24 -2.063 5.034 2.355 192 2HD1 LEU 24 2HD1 LEU 24 -0.725 6.187 2.139 193 3HD1 LEU 24 3HD1 LEU 24 -0.825 4.737 1.111 194 1HD2 LEU 24 1HD2 LEU 24 -1.876 3.096 3.510 195 2HD2 LEU 24 2HD2 LEU 24 -0.529 2.277 2.684 196 3HD2 LEU 24 3HD2 LEU 24 -0.413 2.649 4.421 197 H ILE 25 H ILE 25 3.343 1.929 1.961 198 HA ILE 25 HA ILE 25 1.874 -0.371 2.694 199 HB ILE 25 HB ILE 25 4.045 0.341 0.817 200 1HG1 ILE 25 1HG1 ILE 25 1.600 -1.419 0.494 201 2HG1 ILE 25 2HG1 ILE 25 1.583 0.322 0.290 202 1HG2 ILE 25 1HG2 ILE 25 4.981 -1.614 2.042 203 2HG2 ILE 25 2HG2 ILE 25 3.551 -2.555 1.555 204 3HG2 ILE 25 3HG2 ILE 25 4.665 -1.926 0.318 205 1HD1 ILE 25 1HD1 ILE 25 3.709 -1.183 -1.203 206 2HD1 ILE 25 2HD1 ILE 25 2.032 -1.360 -1.771 207 3HD1 ILE 25 3HD1 ILE 25 2.778 0.253 -1.692 208 H LYS 26 H LYS 26 5.188 0.857 3.429 209 HA LYS 26 HA LYS 26 5.979 -1.415 4.870 210 1HB LYS 26 1HB LYS 26 7.426 0.428 3.874 211 2HB LYS 26 2HB LYS 26 6.988 1.412 5.256 212 1HG LYS 26 1HG LYS 26 7.889 -1.342 5.951 213 2HG LYS 26 2HG LYS 26 9.119 -0.353 5.190 214 1HD LYS 26 1HD LYS 26 9.023 1.309 6.903 215 2HD LYS 26 2HD LYS 26 7.458 0.766 7.473 216 1HE LYS 26 1HE LYS 26 9.321 -1.452 7.642 217 2HE LYS 26 2HE LYS 26 10.053 -0.050 8.397 218 1HZ LYS 26 1HZ LYS 26 7.372 -1.090 9.004 219 2HZ LYS 26 2HZ LYS 26 8.699 -1.277 9.938 220 3HZ LYS 26 3HZ LYS 26 8.061 0.210 9.713 221 H GLU 27 H GLU 27 4.220 1.586 5.752 222 HA GLU 27 HA GLU 27 4.384 1.335 8.471 223 1HB GLU 27 1HB GLU 27 2.560 2.673 6.531 224 2HB GLU 27 2HB GLU 27 1.876 2.412 8.123 225 1HG GLU 27 1HG GLU 27 4.144 3.401 9.019 226 2HG GLU 27 2HG GLU 27 4.362 3.993 7.384 227 H ILE 28 H ILE 28 2.231 -0.290 6.107 228 HA ILE 28 HA ILE 28 0.502 -1.402 8.039 229 HB ILE 28 HB ILE 28 1.029 -1.703 5.138 230 1HG1 ILE 28 1HG1 ILE 28 -1.690 -1.747 5.606 231 2HG1 ILE 28 2HG1 ILE 28 -1.101 -0.776 6.940 232 1HG2 ILE 28 1HG2 ILE 28 -0.545 -3.783 6.680 233 2HG2 ILE 28 2HG2 ILE 28 -0.369 -3.669 4.913 234 3HG2 ILE 28 3HG2 ILE 28 1.047 -4.041 5.926 235 1HD1 ILE 28 1HD1 ILE 28 -1.631 0.290 4.522 236 2HD1 ILE 28 2HD1 ILE 28 -0.333 0.923 5.562 237 3HD1 ILE 28 3HD1 ILE 28 0.057 -0.192 4.231 238 H VAL 29 H VAL 29 3.692 -2.257 6.750 239 HA VAL 29 HA VAL 29 3.539 -4.891 7.963 240 HB VAL 29 HB VAL 29 5.917 -3.638 6.609 241 1HG1 VAL 29 1HG1 VAL 29 6.507 -5.922 6.076 242 2HG1 VAL 29 2HG1 VAL 29 6.181 -5.801 7.821 243 3HG1 VAL 29 3HG1 VAL 29 4.965 -6.518 6.736 244 1HG2 VAL 29 1HG2 VAL 29 3.873 -5.233 5.077 245 2HG2 VAL 29 2HG2 VAL 29 3.680 -3.475 5.278 246 3HG2 VAL 29 3HG2 VAL 29 5.129 -4.126 4.474 247 H GLU 30 H GLU 30 3.865 -1.840 9.131 248 HA GLU 30 HA GLU 30 6.232 -2.080 10.623 249 1HB GLU 30 1HB GLU 30 5.176 0.097 10.051 250 2HB GLU 30 2HB GLU 30 3.796 -0.296 11.056 251 1HG GLU 30 1HG GLU 30 4.899 0.230 12.989 252 2HG GLU 30 2HG GLU 30 6.358 -0.606 12.495 253 H ASN 31 H ASN 31 2.897 -3.173 11.033 254 HA ASN 31 HA ASN 31 3.723 -4.328 13.566 255 1HB ASN 31 1HB ASN 31 1.320 -3.912 14.388 256 2HB ASN 31 2HB ASN 31 2.323 -2.481 14.265 257 1HD2 ASN 31 1HD2 ASN 31 -0.463 -4.132 13.175 258 2HD2 ASN 31 2HD2 ASN 31 -1.054 -2.967 12.038 259 H GLU 32 H GLU 32 3.903 -5.794 11.272 260 HA GLU 32 HA GLU 32 1.543 -6.888 10.324 261 1HB GLU 32 1HB GLU 32 2.955 -8.532 9.237 262 2HB GLU 32 2HB GLU 32 3.792 -6.993 9.200 263 1HG GLU 32 1HG GLU 32 5.501 -7.758 10.506 264 2HG GLU 32 2HG GLU 32 4.407 -8.514 11.648 265 H ASP 33 H ASP 33 2.220 -9.774 10.537 266 HA ASP 33 HA ASP 33 2.190 -10.381 13.305 267 1HB ASP 33 1HB ASP 33 -0.276 -9.709 12.332 268 2HB ASP 33 2HB ASP 33 -0.256 -11.408 11.902 269 H LYS 34 H LYS 34 2.061 -12.859 13.578 270 HA LYS 34 HA LYS 34 3.556 -14.109 11.530 271 1HB LYS 34 1HB LYS 34 2.705 -14.669 14.260 272 2HB LYS 34 2HB LYS 34 2.595 -16.096 13.249 273 1HG LYS 34 1HG LYS 34 5.067 -14.551 12.757 274 2HG LYS 34 2HG LYS 34 4.932 -15.084 14.420 275 1HD LYS 34 1HD LYS 34 4.441 -17.430 13.561 276 2HD LYS 34 2HD LYS 34 4.760 -16.854 11.937 277 1HE LYS 34 1HE LYS 34 6.956 -17.309 12.297 278 2HE LYS 34 2HE LYS 34 6.989 -15.956 13.411 279 1HZ LYS 34 1HZ LYS 34 5.940 -18.442 14.437 280 2HZ LYS 34 2HZ LYS 34 7.546 -18.397 14.145 281 3HZ LYS 34 3HZ LYS 34 6.873 -17.321 15.174 282 H ARG 35 H ARG 35 0.340 -15.087 12.914 283 HA ARG 35 HA ARG 35 -0.232 -16.620 10.656 284 1HB ARG 35 1HB ARG 35 -1.323 -16.237 13.237 285 2HB ARG 35 2HB ARG 35 -2.607 -15.728 12.159 286 1HG ARG 35 1HG ARG 35 -3.050 -17.868 11.531 287 2HG ARG 35 2HG ARG 35 -1.366 -18.179 11.159 288 1HD ARG 35 1HD ARG 35 -0.873 -18.924 13.355 289 2HD ARG 35 2HD ARG 35 -2.233 -18.072 14.061 290 HE ARG 35 HE ARG 35 -3.608 -19.902 13.568 291 1HH1 ARG 35 1HH1 ARG 35 -0.660 -20.128 11.659 292 2HH1 ARG 35 2HH1 ARG 35 -1.021 -21.711 11.055 293 1HH2 ARG 35 1HH2 ARG 35 -4.084 -21.990 12.771 294 2HH2 ARG 35 2HH2 ARG 35 -2.981 -22.777 11.692 295 H LYS 36 H LYS 36 -0.204 -13.250 11.141 296 HA LYS 36 HA LYS 36 -1.891 -12.885 8.785 297 1HB LYS 36 1HB LYS 36 -2.706 -12.185 11.398 298 2HB LYS 36 2HB LYS 36 -2.244 -10.682 10.626 299 1HG LYS 36 1HG LYS 36 -4.334 -10.743 9.703 300 2HG LYS 36 2HG LYS 36 -3.639 -11.892 8.578 301 1HD LYS 36 1HD LYS 36 -4.607 -13.740 9.633 302 2HD LYS 36 2HD LYS 36 -4.621 -12.974 11.209 303 1HE LYS 36 1HE LYS 36 -6.340 -11.307 9.876 304 2HE LYS 36 2HE LYS 36 -6.626 -12.793 8.991 305 1HZ LYS 36 1HZ LYS 36 -8.069 -12.856 10.779 306 2HZ LYS 36 2HZ LYS 36 -6.854 -13.836 11.260 307 3HZ LYS 36 3HZ LYS 36 -6.966 -12.320 11.857 308 HA PRO 37 HA PRO 37 2.091 -10.836 8.389 309 1HB PRO 37 1HB PRO 37 2.705 -11.771 5.895 310 2HB PRO 37 2HB PRO 37 3.238 -12.553 7.370 311 1HG PRO 37 1HG PRO 37 1.100 -13.377 5.501 312 2HG PRO 37 2HG PRO 37 1.925 -14.334 6.717 313 1HD PRO 37 1HD PRO 37 -0.716 -13.229 6.903 314 2HD PRO 37 2HD PRO 37 0.153 -14.086 8.161 315 H TYR 38 H TYR 38 2.868 -9.896 5.850 316 HA TYR 38 HA TYR 38 0.552 -8.473 4.865 317 1HB TYR 38 1HB TYR 38 2.855 -7.369 6.528 318 2HB TYR 38 2HB TYR 38 2.247 -6.358 5.232 319 HD1 TYR 38 HD1 TYR 38 -0.686 -7.009 5.388 320 HD2 TYR 38 HD2 TYR 38 2.181 -6.211 8.462 321 HE1 TYR 38 HE1 TYR 38 -2.542 -6.180 6.914 322 HE2 TYR 38 HE2 TYR 38 0.315 -5.384 9.978 323 HH TYR 38 HH TYR 38 -1.938 -5.479 10.271 324 H SER 39 H SER 39 1.693 -10.280 3.331 325 HA SER 39 HA SER 39 4.032 -9.350 2.052 326 1HB SER 39 1HB SER 39 3.700 -11.703 2.019 327 2HB SER 39 2HB SER 39 2.027 -11.558 1.517 328 HG SER 39 HG SER 39 3.166 -12.171 -0.318 329 H ASP 40 H ASP 40 3.625 -9.583 -0.679 330 HA ASP 40 HA ASP 40 2.586 -7.126 -1.318 331 1HB ASP 40 1HB ASP 40 3.050 -7.704 -3.567 332 2HB ASP 40 2HB ASP 40 4.173 -8.690 -2.651 333 H GLN 41 H GLN 41 1.164 -10.419 -1.221 334 HA GLN 41 HA GLN 41 -1.139 -9.828 -2.667 335 1HB GLN 41 1HB GLN 41 -1.124 -12.086 -2.491 336 2HB GLN 41 2HB GLN 41 -0.065 -12.045 -1.095 337 1HG GLN 41 1HG GLN 41 -2.188 -13.072 -0.442 338 2HG GLN 41 2HG GLN 41 -2.034 -11.528 0.373 339 1HE2 GLN 41 1HE2 GLN 41 -4.391 -11.923 0.551 340 2HE2 GLN 41 2HE2 GLN 41 -5.432 -11.321 -0.695 341 H GLU 42 H GLU 42 -0.471 -9.925 0.900 342 HA GLU 42 HA GLU 42 -3.045 -9.208 1.637 343 1HB GLU 42 1HB GLU 42 -0.848 -10.056 2.977 344 2HB GLU 42 2HB GLU 42 -0.735 -8.347 3.349 345 1HG GLU 42 1HG GLU 42 -2.810 -8.314 4.488 346 2HG GLU 42 2HG GLU 42 -3.402 -9.744 3.667 347 H ILE 43 H ILE 43 -0.058 -7.131 1.829 348 HA ILE 43 HA ILE 43 -1.220 -4.755 2.305 349 HB ILE 43 HB ILE 43 1.262 -5.705 1.139 350 1HG1 ILE 43 1HG1 ILE 43 0.996 -3.130 2.632 351 2HG1 ILE 43 2HG1 ILE 43 0.553 -4.606 3.468 352 1HG2 ILE 43 1HG2 ILE 43 0.522 -4.328 -0.771 353 2HG2 ILE 43 2HG2 ILE 43 0.356 -2.931 0.320 354 3HG2 ILE 43 3HG2 ILE 43 1.957 -3.659 0.043 355 1HD1 ILE 43 1HD1 ILE 43 3.108 -3.661 3.347 356 2HD1 ILE 43 2HD1 ILE 43 2.716 -5.387 3.535 357 3HD1 ILE 43 3HD1 ILE 43 3.110 -4.734 1.927 358 H ALA 44 H ALA 44 -0.880 -6.359 -0.915 359 HA ALA 44 HA ALA 44 -1.929 -4.291 -2.433 360 1HB ALA 44 1HB ALA 44 -1.933 -7.313 -2.762 361 2HB ALA 44 2HB ALA 44 -2.494 -6.194 -4.027 362 3HB ALA 44 3HB ALA 44 -0.803 -6.136 -3.474 363 H ASN 45 H ASN 45 -3.535 -6.987 -0.648 364 HA ASN 45 HA ASN 45 -6.082 -6.388 -1.603 365 1HB ASN 45 1HB ASN 45 -4.914 -7.997 0.665 366 2HB ASN 45 2HB ASN 45 -6.616 -7.597 0.785 367 1HD2 ASN 45 1HD2 ASN 45 -4.157 -8.991 -1.339 368 2HD2 ASN 45 2HD2 ASN 45 -5.185 -10.094 -2.191 369 H ILE 46 H ILE 46 -4.071 -5.295 1.163 370 HA ILE 46 HA ILE 46 -6.003 -4.117 2.735 371 HB ILE 46 HB ILE 46 -3.108 -3.445 2.240 372 1HG1 ILE 46 1HG1 ILE 46 -4.612 -5.171 4.180 373 2HG1 ILE 46 2HG1 ILE 46 -3.175 -5.534 3.245 374 1HG2 ILE 46 1HG2 ILE 46 -3.096 -1.806 3.824 375 2HG2 ILE 46 2HG2 ILE 46 -4.730 -1.557 3.162 376 3HG2 ILE 46 3HG2 ILE 46 -4.513 -2.460 4.681 377 1HD1 ILE 46 1HD1 ILE 46 -3.421 -4.221 5.890 378 2HD1 ILE 46 2HD1 ILE 46 -2.051 -5.114 5.186 379 3HD1 ILE 46 3HD1 ILE 46 -2.299 -3.399 4.778 380 H LEU 47 H LEU 47 -4.245 -2.829 -0.143 381 HA LEU 47 HA LEU 47 -5.119 -0.241 -0.056 382 1HB LEU 47 1HB LEU 47 -4.295 -0.066 -2.147 383 2HB LEU 47 2HB LEU 47 -3.541 -1.575 -1.671 384 HG LEU 47 HG LEU 47 -5.796 -2.556 -2.786 385 1HD1 LEU 47 1HD1 LEU 47 -5.330 -0.575 -4.887 386 2HD1 LEU 47 2HD1 LEU 47 -6.852 -1.234 -4.241 387 3HD1 LEU 47 3HD1 LEU 47 -6.045 0.119 -3.412 388 1HD2 LEU 47 1HD2 LEU 47 -4.373 -3.484 -4.247 389 2HD2 LEU 47 2HD2 LEU 47 -3.766 -1.911 -4.816 390 3HD2 LEU 47 3HD2 LEU 47 -3.119 -2.627 -3.321 391 H LYS 48 H LYS 48 -6.843 -3.187 -1.182 392 HA LYS 48 HA LYS 48 -9.018 -1.911 -2.334 393 1HB LYS 48 1HB LYS 48 -8.221 -4.573 -1.635 394 2HB LYS 48 2HB LYS 48 -9.872 -4.337 -1.098 395 1HG LYS 48 1HG LYS 48 -9.245 -3.252 -3.814 396 2HG LYS 48 2HG LYS 48 -9.176 -4.997 -3.672 397 1HD LYS 48 1HD LYS 48 -11.528 -4.270 -2.274 398 2HD LYS 48 2HD LYS 48 -11.519 -3.228 -3.684 399 1HE LYS 48 1HE LYS 48 -11.410 -5.109 -5.201 400 2HE LYS 48 2HE LYS 48 -11.016 -6.225 -3.909 401 1HZ LYS 48 1HZ LYS 48 -13.481 -4.758 -3.619 402 2HZ LYS 48 2HZ LYS 48 -13.450 -5.890 -4.796 403 3HZ LYS 48 3HZ LYS 48 -13.144 -6.313 -3.249 404 H GLU 49 H GLU 49 -8.055 -2.300 1.030 405 HA GLU 49 HA GLU 49 -10.577 -2.014 2.161 406 1HB GLU 49 1HB GLU 49 -9.450 -1.903 4.198 407 2HB GLU 49 2HB GLU 49 -8.244 -2.687 3.197 408 1HG GLU 49 1HG GLU 49 -6.877 -1.020 3.990 409 2HG GLU 49 2HG GLU 49 -7.597 -0.084 2.695 410 H LYS 50 H LYS 50 -8.750 0.154 0.276 411 HA LYS 50 HA LYS 50 -10.388 2.370 1.257 412 1HB LYS 50 1HB LYS 50 -7.950 2.385 2.131 413 2HB LYS 50 2HB LYS 50 -7.502 2.790 0.487 414 1HG LYS 50 1HG LYS 50 -7.793 4.915 1.462 415 2HG LYS 50 2HG LYS 50 -9.331 4.661 0.662 416 1HD LYS 50 1HD LYS 50 -9.296 3.540 3.394 417 2HD LYS 50 2HD LYS 50 -8.960 5.260 3.380 418 1HE LYS 50 1HE LYS 50 -11.126 4.771 1.532 419 2HE LYS 50 2HE LYS 50 -11.499 3.933 3.025 420 1HZ LYS 50 1HZ LYS 50 -10.466 6.611 3.294 421 2HZ LYS 50 2HZ LYS 50 -11.970 6.481 2.671 422 3HZ LYS 50 3HZ LYS 50 -11.639 5.856 4.143 423 H GLY 51 H GLY 51 -8.301 0.960 -1.327 424 1HA GLY 51 1HA GLY 51 -9.162 0.704 -3.517 425 2HA GLY 51 2HA GLY 51 -10.152 2.134 -3.297 426 H PHE 52 H PHE 52 -6.766 2.009 -2.177 427 HA PHE 52 HA PHE 52 -6.060 4.362 -3.425 428 1HB PHE 52 1HB PHE 52 -4.604 1.882 -2.381 429 2HB PHE 52 2HB PHE 52 -3.674 3.197 -3.072 430 HD1 PHE 52 HD1 PHE 52 -3.872 5.497 -2.018 431 HD2 PHE 52 HD2 PHE 52 -5.385 1.992 -0.163 432 HE1 PHE 52 HE1 PHE 52 -3.908 6.683 0.194 433 HE2 PHE 52 HE2 PHE 52 -5.420 3.178 2.049 434 HZ PHE 52 HZ PHE 52 -4.681 5.509 2.201 435 H LYS 53 H LYS 53 -3.718 4.104 -4.825 436 HA LYS 53 HA LYS 53 -4.656 2.782 -7.266 437 1HB LYS 53 1HB LYS 53 -3.981 5.379 -6.920 438 2HB LYS 53 2HB LYS 53 -2.413 4.730 -7.354 439 1HG LYS 53 1HG LYS 53 -3.062 4.210 -9.510 440 2HG LYS 53 2HG LYS 53 -4.684 3.755 -9.030 441 1HD LYS 53 1HD LYS 53 -4.910 6.381 -8.517 442 2HD LYS 53 2HD LYS 53 -3.591 6.497 -9.664 443 1HE LYS 53 1HE LYS 53 -4.956 6.055 -11.436 444 2HE LYS 53 2HE LYS 53 -5.677 4.671 -10.638 445 1HZ LYS 53 1HZ LYS 53 -6.393 7.392 -9.845 446 2HZ LYS 53 2HZ LYS 53 -7.134 6.660 -11.103 447 3HZ LYS 53 3HZ LYS 53 -7.231 6.011 -9.608 448 H VAL 54 H VAL 54 -3.765 0.958 -5.482 449 HA VAL 54 HA VAL 54 -0.979 0.483 -6.285 450 HB VAL 54 HB VAL 54 -2.123 -1.078 -4.068 451 1HG1 VAL 54 1HG1 VAL 54 0.036 -0.872 -3.154 452 2HG1 VAL 54 2HG1 VAL 54 0.306 -0.970 -4.910 453 3HG1 VAL 54 3HG1 VAL 54 0.388 0.604 -4.084 454 1HG2 VAL 54 1HG2 VAL 54 -3.237 1.033 -3.593 455 2HG2 VAL 54 2HG2 VAL 54 -1.919 0.767 -2.428 456 3HG2 VAL 54 3HG2 VAL 54 -1.701 1.915 -3.770 457 H ALA 55 H ALA 55 -0.551 -2.074 -6.210 458 HA ALA 55 HA ALA 55 -2.612 -3.823 -6.822 459 1HB ALA 55 1HB ALA 55 -1.230 -3.184 -9.397 460 2HB ALA 55 2HB ALA 55 -2.881 -3.780 -9.103 461 3HB ALA 55 3HB ALA 55 -2.499 -2.060 -8.854 462 H ARG 56 H ARG 56 -1.759 -5.957 -7.453 463 HA ARG 56 HA ARG 56 0.311 -6.795 -6.136 464 1HB ARG 56 1HB ARG 56 -0.413 -7.669 -8.977 465 2HB ARG 56 2HB ARG 56 0.627 -8.599 -7.916 466 1HG ARG 56 1HG ARG 56 -2.208 -7.769 -7.148 467 2HG ARG 56 2HG ARG 56 -1.842 -9.291 -7.936 468 1HD ARG 56 1HD ARG 56 -0.739 -10.167 -6.060 469 2HD ARG 56 2HD ARG 56 -0.257 -8.590 -5.468 470 HE ARG 56 HE ARG 56 -2.257 -8.469 -4.269 471 1HH1 ARG 56 1HH1 ARG 56 -2.617 -10.851 -6.834 472 2HH1 ARG 56 2HH1 ARG 56 -4.183 -11.369 -6.308 473 1HH2 ARG 56 1HH2 ARG 56 -4.324 -9.152 -3.574 474 2HH2 ARG 56 2HH2 ARG 56 -5.161 -10.396 -4.441 475 H ARG 57 H ARG 57 0.510 -5.340 -9.444 476 HA ARG 57 HA ARG 57 3.201 -5.765 -9.812 477 1HB ARG 57 1HB ARG 57 1.127 -4.606 -11.258 478 2HB ARG 57 2HB ARG 57 2.133 -3.212 -10.917 479 1HG ARG 57 1HG ARG 57 3.115 -5.813 -12.187 480 2HG ARG 57 2HG ARG 57 2.763 -4.337 -13.064 481 1HD ARG 57 1HD ARG 57 4.481 -3.224 -11.382 482 2HD ARG 57 2HD ARG 57 5.011 -4.869 -11.095 483 HE ARG 57 HE ARG 57 5.987 -4.906 -13.224 484 1HH1 ARG 57 1HH1 ARG 57 3.708 -2.231 -13.043 485 2HH1 ARG 57 2HH1 ARG 57 4.167 -1.568 -14.577 486 1HH2 ARG 57 1HH2 ARG 57 6.594 -4.032 -15.246 487 2HH2 ARG 57 2HH2 ARG 57 5.820 -2.600 -15.838 488 H THR 58 H THR 58 1.438 -2.811 -8.617 489 HA THR 58 HA THR 58 3.738 -1.307 -8.084 490 HB THR 58 HB THR 58 0.813 -1.279 -7.302 491 HG1 THR 58 HG1 THR 58 2.814 0.505 -8.505 492 1HG2 THR 58 1HG2 THR 58 2.262 -0.476 -5.289 493 2HG2 THR 58 2HG2 THR 58 2.815 0.828 -6.368 494 3HG2 THR 58 3HG2 THR 58 1.090 0.692 -5.947 495 H VAL 59 H VAL 59 1.872 -3.618 -6.051 496 HA VAL 59 HA VAL 59 3.322 -3.080 -3.706 497 HB VAL 59 HB VAL 59 2.068 -5.728 -4.359 498 1HG1 VAL 59 1HG1 VAL 59 1.362 -5.616 -2.004 499 2HG1 VAL 59 2HG1 VAL 59 3.127 -5.452 -2.166 500 3HG1 VAL 59 3HG1 VAL 59 2.125 -4.015 -1.851 501 1HG2 VAL 59 1HG2 VAL 59 0.164 -4.732 -4.983 502 2HG2 VAL 59 2HG2 VAL 59 0.016 -4.166 -3.302 503 3HG2 VAL 59 3HG2 VAL 59 0.770 -3.121 -4.530 504 H ALA 60 H ALA 60 3.698 -5.523 -6.347 505 HA ALA 60 HA ALA 60 5.779 -6.951 -5.235 506 1HB ALA 60 1HB ALA 60 4.453 -7.532 -7.277 507 2HB ALA 60 2HB ALA 60 5.334 -6.268 -8.169 508 3HB ALA 60 3HB ALA 60 6.211 -7.675 -7.521 509 H LYS 61 H LYS 61 5.791 -3.887 -7.142 510 HA LYS 61 HA LYS 61 8.585 -3.714 -7.331 511 1HB LYS 61 1HB LYS 61 6.480 -2.405 -8.446 512 2HB LYS 61 2HB LYS 61 7.002 -1.207 -7.278 513 1HG LYS 61 1HG LYS 61 9.201 -1.072 -8.212 514 2HG LYS 61 2HG LYS 61 9.027 -2.588 -9.074 515 1HD LYS 61 1HD LYS 61 7.094 -1.418 -10.381 516 2HD LYS 61 2HD LYS 61 7.709 0.080 -9.711 517 1HE LYS 61 1HE LYS 61 9.973 -1.374 -10.726 518 2HE LYS 61 2HE LYS 61 8.727 -1.444 -11.957 519 1HZ LYS 61 1HZ LYS 61 9.320 0.604 -12.455 520 2HZ LYS 61 2HZ LYS 61 8.683 1.119 -11.042 521 3HZ LYS 61 3HZ LYS 61 10.273 0.759 -11.138 522 H TYR 62 H TYR 62 6.188 -2.467 -4.937 523 HA TYR 62 HA TYR 62 8.085 -1.049 -3.415 524 1HB TYR 62 1HB TYR 62 5.306 -2.282 -3.087 525 2HB TYR 62 2HB TYR 62 6.082 -1.585 -1.679 526 HD1 TYR 62 HD1 TYR 62 6.047 -0.410 -5.239 527 HD2 TYR 62 HD2 TYR 62 4.915 0.375 -1.189 528 HE1 TYR 62 HE1 TYR 62 5.210 1.895 -5.912 529 HE2 TYR 62 HE2 TYR 62 4.082 2.677 -1.875 530 HH TYR 62 HH TYR 62 3.520 3.520 -5.038 531 H ARG 63 H ARG 63 6.813 -4.418 -3.288 532 HA ARG 63 HA ARG 63 7.622 -5.212 -0.892 533 1HB ARG 63 1HB ARG 63 6.529 -6.700 -2.542 534 2HB ARG 63 2HB ARG 63 7.971 -6.711 -3.536 535 1HG ARG 63 1HG ARG 63 8.921 -8.357 -2.290 536 2HG ARG 63 2HG ARG 63 8.642 -7.480 -0.799 537 1HD ARG 63 1HD ARG 63 6.283 -8.305 -0.743 538 2HD ARG 63 2HD ARG 63 6.540 -9.163 -2.249 539 HE ARG 63 HE ARG 63 7.400 -10.019 0.386 540 1HH1 ARG 63 1HH1 ARG 63 8.261 -10.155 -3.023 541 2HH1 ARG 63 2HH1 ARG 63 9.154 -11.631 -2.869 542 1HH2 ARG 63 1HH2 ARG 63 8.577 -11.966 0.589 543 2HH2 ARG 63 2HH2 ARG 63 9.335 -12.669 -0.801 544 H GLU 64 H GLU 64 9.688 -4.707 -3.801 545 HA GLU 64 HA GLU 64 11.998 -5.774 -2.622 546 1HB GLU 64 1HB GLU 64 11.528 -5.459 -5.113 547 2HB GLU 64 2HB GLU 64 11.844 -3.749 -4.895 548 1HG GLU 64 1HG GLU 64 14.127 -4.331 -3.969 549 2HG GLU 64 2HG GLU 64 13.805 -6.019 -4.312 550 H MET 65 H MET 65 10.505 -2.523 -2.766 551 HA MET 65 HA MET 65 12.752 -1.154 -1.822 552 1HB MET 65 1HB MET 65 9.798 -0.652 -2.159 553 2HB MET 65 2HB MET 65 10.633 0.419 -1.052 554 1HG MET 65 1HG MET 65 10.877 1.551 -3.106 555 2HG MET 65 2HG MET 65 12.399 0.691 -2.985 556 1HE MET 65 1HE MET 65 9.378 1.480 -4.501 557 2HE MET 65 2HE MET 65 9.651 0.943 -6.176 558 3HE MET 65 3HE MET 65 8.641 -0.032 -5.082 559 H LEU 66 H LEU 66 9.984 -2.788 -0.226 560 HA LEU 66 HA LEU 66 10.785 -1.816 2.366 561 1HB LEU 66 1HB LEU 66 8.625 -3.703 1.428 562 2HB LEU 66 2HB LEU 66 8.912 -3.324 3.115 563 HG LEU 66 HG LEU 66 7.378 -1.726 2.817 564 1HD1 LEU 66 1HD1 LEU 66 9.362 -0.363 3.073 565 2HD1 LEU 66 2HD1 LEU 66 9.643 -0.385 1.315 566 3HD1 LEU 66 3HD1 LEU 66 8.212 0.441 1.978 567 1HD2 LEU 66 1HD2 LEU 66 7.890 -1.512 -0.153 568 2HD2 LEU 66 2HD2 LEU 66 6.854 -2.769 0.565 569 3HD2 LEU 66 3HD2 LEU 66 6.434 -1.050 0.761 570 H GLY 67 H GLY 67 10.360 -5.123 0.908 571 1HA GLY 67 1HA GLY 67 12.281 -6.165 2.849 572 2HA GLY 67 2HA GLY 67 11.228 -7.083 1.791 Start of MODEL 16 1 1H THR 1 1H THR 1 -5.834 42.548 17.334 2 HA THR 1 HA THR 1 -6.674 43.891 18.917 3 HB THR 1 HB THR 1 -9.287 43.328 17.432 4 HG1 THR 1 HG1 THR 1 -8.716 45.368 16.586 5 1HG2 THR 1 1HG2 THR 1 -10.444 44.778 18.853 6 2HG2 THR 1 2HG2 THR 1 -9.344 44.050 20.048 7 3HG2 THR 1 3HG2 THR 1 -8.964 45.638 19.340 8 H TYR 2 H TYR 2 -8.609 40.903 18.324 9 HA TYR 2 HA TYR 2 -8.833 40.568 21.213 10 1HB TYR 2 1HB TYR 2 -10.339 38.657 20.368 11 2HB TYR 2 2HB TYR 2 -10.845 40.238 19.808 12 HD1 TYR 2 HD1 TYR 2 -11.325 40.513 17.550 13 HD2 TYR 2 HD2 TYR 2 -8.647 37.392 18.729 14 HE1 TYR 2 HE1 TYR 2 -11.213 39.691 15.147 15 HE2 TYR 2 HE2 TYR 2 -8.544 36.581 16.322 16 HH TYR 2 HH TYR 2 -9.239 36.855 14.302 17 H SER 3 H SER 3 -8.828 37.927 21.661 18 HA SER 3 HA SER 3 -6.233 37.074 20.634 19 1HB SER 3 1HB SER 3 -7.303 36.250 23.349 20 2HB SER 3 2HB SER 3 -5.650 36.199 22.771 21 HG SER 3 HG SER 3 -6.329 38.013 24.300 22 H LEU 4 H LEU 4 -6.301 34.449 21.828 23 HA LEU 4 HA LEU 4 -7.024 32.404 21.428 24 1HB LEU 4 1HB LEU 4 -8.904 32.711 22.705 25 2HB LEU 4 2HB LEU 4 -9.585 33.918 21.632 26 HG LEU 4 HG LEU 4 -9.340 31.132 20.585 27 1HD1 LEU 4 1HD1 LEU 4 -11.486 30.490 21.635 28 2HD1 LEU 4 2HD1 LEU 4 -10.167 30.696 22.813 29 3HD1 LEU 4 3HD1 LEU 4 -11.410 31.959 22.637 30 1HD2 LEU 4 1HD2 LEU 4 -10.768 33.582 19.955 31 2HD2 LEU 4 2HD2 LEU 4 -10.464 32.142 18.954 32 3HD2 LEU 4 3HD2 LEU 4 -11.864 32.183 20.052 33 H ARG 5 H ARG 5 -6.392 31.379 19.614 34 HA ARG 5 HA ARG 5 -7.909 31.621 17.275 35 1HB ARG 5 1HB ARG 5 -6.365 33.736 17.280 36 2HB ARG 5 2HB ARG 5 -5.046 32.624 16.976 37 1HG ARG 5 1HG ARG 5 -5.622 33.093 14.781 38 2HG ARG 5 2HG ARG 5 -6.686 31.727 15.049 39 1HD ARG 5 1HD ARG 5 -8.556 33.019 14.853 40 2HD ARG 5 2HD ARG 5 -7.936 34.221 15.968 41 HE ARG 5 HE ARG 5 -7.894 34.394 13.091 42 1HH1 ARG 5 1HH1 ARG 5 -5.971 35.206 15.924 43 2HH1 ARG 5 2HH1 ARG 5 -5.162 36.530 15.154 44 1HH2 ARG 5 1HH2 ARG 5 -6.827 36.140 12.074 45 2HH2 ARG 5 2HH2 ARG 5 -5.653 37.065 12.949 46 H THR 6 H THR 6 -7.809 29.569 16.407 47 HA THR 6 HA THR 6 -5.262 28.202 16.282 48 HB THR 6 HB THR 6 -7.623 27.217 17.964 49 HG1 THR 6 HG1 THR 6 -4.780 27.858 18.312 50 1HG2 THR 6 1HG2 THR 6 -5.943 25.309 18.459 51 2HG2 THR 6 2HG2 THR 6 -6.762 25.229 16.881 52 3HG2 THR 6 3HG2 THR 6 -5.087 25.821 16.985 53 H PHE 7 H PHE 7 -5.484 26.087 15.064 54 HA PHE 7 HA PHE 7 -7.815 25.569 13.608 55 1HB PHE 7 1HB PHE 7 -5.864 27.609 12.617 56 2HB PHE 7 2HB PHE 7 -6.174 26.343 11.444 57 HD1 PHE 7 HD1 PHE 7 -8.939 25.742 11.586 58 HD2 PHE 7 HD2 PHE 7 -7.057 29.508 12.120 59 HE1 PHE 7 HE1 PHE 7 -11.058 26.898 10.898 60 HE2 PHE 7 HE2 PHE 7 -9.176 30.664 11.431 61 HZ PHE 7 HZ PHE 7 -11.151 29.345 10.829 62 H PHE 8 H PHE 8 -7.603 23.658 12.338 63 HA PHE 8 HA PHE 8 -5.143 22.605 11.553 64 1HB PHE 8 1HB PHE 8 -5.220 22.477 14.217 65 2HB PHE 8 2HB PHE 8 -6.400 21.205 13.970 66 HD1 PHE 8 HD1 PHE 8 -5.706 19.010 13.558 67 HD2 PHE 8 HD2 PHE 8 -2.915 22.178 13.128 68 HE1 PHE 8 HE1 PHE 8 -3.851 17.340 13.291 69 HE2 PHE 8 HE2 PHE 8 -1.061 20.508 12.860 70 HZ PHE 8 HZ PHE 8 -1.551 18.109 12.945 71 H VAL 9 H VAL 9 -5.467 20.856 10.164 72 HA VAL 9 HA VAL 9 -8.258 20.168 9.741 73 HB VAL 9 HB VAL 9 -7.112 18.979 7.724 74 1HG1 VAL 9 1HG1 VAL 9 -8.231 20.665 6.780 75 2HG1 VAL 9 2HG1 VAL 9 -8.003 21.695 8.214 76 3HG1 VAL 9 3HG1 VAL 9 -6.759 21.654 6.941 77 1HG2 VAL 9 1HG2 VAL 9 -4.991 21.069 8.058 78 2HG2 VAL 9 2HG2 VAL 9 -4.805 19.519 8.914 79 3HG2 VAL 9 3HG2 VAL 9 -4.961 19.543 7.141 80 H ARG 10 H ARG 10 -5.865 17.844 8.732 81 HA ARG 10 HA ARG 10 -5.801 16.326 11.059 82 1HB ARG 10 1HB ARG 10 -8.273 16.107 9.765 83 2HB ARG 10 2HB ARG 10 -7.394 14.733 9.123 84 1HG ARG 10 1HG ARG 10 -6.736 14.535 11.789 85 2HG ARG 10 2HG ARG 10 -8.330 15.253 11.913 86 1HD ARG 10 1HD ARG 10 -9.337 13.288 11.365 87 2HD ARG 10 2HD ARG 10 -8.372 13.131 9.911 88 HE ARG 10 HE ARG 10 -7.119 11.533 11.043 89 1HH1 ARG 10 1HH1 ARG 10 -8.366 13.826 13.403 90 2HH1 ARG 10 2HH1 ARG 10 -7.654 13.015 14.757 91 1HH2 ARG 10 1HH2 ARG 10 -6.180 10.462 12.830 92 2HH2 ARG 10 2HH2 ARG 10 -6.402 11.088 14.429 93 H GLU 11 H GLU 11 -6.189 15.862 7.462 94 HA GLU 11 HA GLU 11 -4.642 15.336 5.970 95 1HB GLU 11 1HB GLU 11 -2.917 16.082 7.858 96 2HB GLU 11 2HB GLU 11 -2.639 14.358 8.008 97 1HG GLU 11 1HG GLU 11 -1.927 14.160 5.716 98 2HG GLU 11 2HG GLU 11 -2.570 15.735 5.295 99 H SER 12 H SER 12 -4.246 13.350 4.838 100 HA SER 12 HA SER 12 -4.085 10.899 6.093 101 1HB SER 12 1HB SER 12 -6.234 9.989 6.072 102 2HB SER 12 2HB SER 12 -6.570 11.639 6.558 103 HG SER 12 HG SER 12 -7.774 10.477 4.620 104 H ALA 13 H ALA 13 -4.424 9.052 4.400 105 HA ALA 13 HA ALA 13 -3.030 9.702 2.091 106 1HB ALA 13 1HB ALA 13 -4.799 7.339 2.827 107 2HB ALA 13 2HB ALA 13 -3.775 7.393 1.372 108 3HB ALA 13 3HB ALA 13 -3.031 7.462 2.988 109 H GLU 14 H GLU 14 -5.994 7.952 1.400 110 HA GLU 14 HA GLU 14 -7.306 8.292 -0.363 111 1HB GLU 14 1HB GLU 14 -8.511 9.082 1.712 112 2HB GLU 14 2HB GLU 14 -8.050 10.727 1.317 113 1HG GLU 14 1HG GLU 14 -9.142 9.917 -1.083 114 2HG GLU 14 2HG GLU 14 -10.099 8.972 0.040 115 H GLY 15 H GLY 15 -5.249 8.876 -1.698 116 1HA GLY 15 1HA GLY 15 -5.219 10.206 -3.734 117 2HA GLY 15 2HA GLY 15 -5.596 11.615 -2.763 118 H LEU 16 H LEU 16 -3.555 9.551 -0.969 119 HA LEU 16 HA LEU 16 -1.486 11.314 -0.774 120 1HB LEU 16 1HB LEU 16 -0.555 9.784 0.567 121 2HB LEU 16 2HB LEU 16 -2.139 9.045 0.440 122 HG LEU 16 HG LEU 16 -0.071 8.231 -1.557 123 1HD1 LEU 16 1HD1 LEU 16 0.161 6.480 0.680 124 2HD1 LEU 16 2HD1 LEU 16 1.416 7.470 -0.103 125 3HD1 LEU 16 3HD1 LEU 16 0.460 8.143 1.239 126 1HD2 LEU 16 1HD2 LEU 16 -1.653 6.752 -2.027 127 2HD2 LEU 16 2HD2 LEU 16 -1.450 6.043 -0.407 128 3HD2 LEU 16 3HD2 LEU 16 -2.646 7.335 -0.669 129 H THR 17 H THR 17 0.931 10.612 -1.438 130 HA THR 17 HA THR 17 0.875 10.640 -4.344 131 HB THR 17 HB THR 17 3.393 11.131 -3.866 132 HG1 THR 17 HG1 THR 17 3.832 10.826 -1.720 133 1HG2 THR 17 1HG2 THR 17 2.900 13.378 -3.718 134 2HG2 THR 17 2HG2 THR 17 1.206 12.851 -3.861 135 3HG2 THR 17 3HG2 THR 17 1.913 13.149 -2.255 136 H GLN 18 H GLN 18 2.317 9.291 -5.636 137 HA GLN 18 HA GLN 18 1.940 6.627 -5.025 138 1HB GLN 18 1HB GLN 18 3.388 6.189 -6.987 139 2HB GLN 18 2HB GLN 18 2.228 7.459 -7.323 140 1HG GLN 18 1HG GLN 18 4.079 8.591 -8.077 141 2HG GLN 18 2HG GLN 18 4.279 8.989 -6.382 142 1HE2 GLN 18 1HE2 GLN 18 6.452 9.084 -7.874 143 2HE2 GLN 18 2HE2 GLN 18 7.530 7.760 -7.583 144 H GLY 19 H GLY 19 4.633 8.872 -4.363 145 1HA GLY 19 1HA GLY 19 6.530 6.864 -3.645 146 2HA GLY 19 2HA GLY 19 6.624 8.585 -3.334 147 H GLU 20 H GLU 20 4.037 8.808 -1.924 148 HA GLU 20 HA GLU 20 4.970 8.206 0.632 149 1HB GLU 20 1HB GLU 20 2.437 9.297 -0.556 150 2HB GLU 20 2HB GLU 20 2.352 8.707 1.092 151 1HG GLU 20 1HG GLU 20 4.699 10.458 0.440 152 2HG GLU 20 2HG GLU 20 3.132 11.242 0.447 153 H LEU 21 H LEU 21 2.945 6.469 -1.708 154 HA LEU 21 HA LEU 21 1.576 4.751 -0.079 155 1HB LEU 21 1HB LEU 21 1.889 5.100 -2.747 156 2HB LEU 21 2HB LEU 21 2.756 3.593 -2.528 157 HG LEU 21 HG LEU 21 0.659 2.811 -3.000 158 1HD1 LEU 21 1HD1 LEU 21 1.435 1.996 -0.752 159 2HD1 LEU 21 2HD1 LEU 21 0.333 3.184 -0.015 160 3HD1 LEU 21 3HD1 LEU 21 -0.318 1.881 -1.037 161 1HD2 LEU 21 1HD2 LEU 21 -1.097 4.154 -3.167 162 2HD2 LEU 21 2HD2 LEU 21 -1.168 4.346 -1.399 163 3HD2 LEU 21 3HD2 LEU 21 -0.158 5.441 -2.373 164 H MET 22 H MET 22 5.014 4.650 -1.123 165 HA MET 22 HA MET 22 5.625 2.136 -0.284 166 1HB MET 22 1HB MET 22 7.168 3.662 -1.518 167 2HB MET 22 2HB MET 22 7.272 4.721 -0.126 168 1HG MET 22 1HG MET 22 8.611 3.221 1.098 169 2HG MET 22 2HG MET 22 8.002 1.814 0.250 170 1HE MET 22 1HE MET 22 8.835 0.944 -2.003 171 2HE MET 22 2HE MET 22 8.151 2.413 -2.740 172 3HE MET 22 3HE MET 22 9.805 1.898 -3.151 173 H LYS 23 H LYS 23 5.945 5.214 1.635 174 HA LYS 23 HA LYS 23 6.659 3.880 4.003 175 1HB LYS 23 1HB LYS 23 7.173 6.252 3.466 176 2HB LYS 23 2HB LYS 23 5.475 6.647 3.634 177 1HG LYS 23 1HG LYS 23 5.628 5.591 6.006 178 2HG LYS 23 2HG LYS 23 7.367 5.628 5.792 179 1HD LYS 23 1HD LYS 23 6.892 7.677 6.896 180 2HD LYS 23 2HD LYS 23 7.090 8.146 5.219 181 1HE LYS 23 1HE LYS 23 4.611 8.088 4.902 182 2HE LYS 23 2HE LYS 23 4.404 7.597 6.572 183 1HZ LYS 23 1HZ LYS 23 4.903 10.174 5.529 184 2HZ LYS 23 2HZ LYS 23 4.366 9.745 7.010 185 3HZ LYS 23 3HZ LYS 23 5.969 9.802 6.708 186 H LEU 24 H LEU 24 3.560 4.724 2.468 187 HA LEU 24 HA LEU 24 1.982 4.325 4.770 188 1HB LEU 24 1HB LEU 24 1.520 5.487 2.463 189 2HB LEU 24 2HB LEU 24 0.973 3.892 1.987 190 HG LEU 24 HG LEU 24 -0.107 5.432 4.363 191 1HD1 LEU 24 1HD1 LEU 24 -1.115 5.204 1.523 192 2HD1 LEU 24 2HD1 LEU 24 -2.151 5.685 2.888 193 3HD1 LEU 24 3HD1 LEU 24 -0.737 6.675 2.451 194 1HD2 LEU 24 1HD2 LEU 24 -0.688 2.742 3.192 195 2HD2 LEU 24 2HD2 LEU 24 -0.611 3.262 4.893 196 3HD2 LEU 24 3HD2 LEU 24 -2.025 3.683 3.897 197 H ILE 25 H ILE 25 3.230 2.189 2.171 198 HA ILE 25 HA ILE 25 1.672 -0.039 2.930 199 HB ILE 25 HB ILE 25 3.808 0.606 1.041 200 1HG1 ILE 25 1HG1 ILE 25 1.483 -1.340 0.952 201 2HG1 ILE 25 2HG1 ILE 25 1.417 0.341 0.463 202 1HG2 ILE 25 1HG2 ILE 25 4.578 -1.682 0.702 203 2HG2 ILE 25 2HG2 ILE 25 4.997 -1.106 2.333 204 3HG2 ILE 25 3HG2 ILE 25 3.632 -2.226 2.108 205 1HD1 ILE 25 1HD1 ILE 25 3.529 -0.371 -1.040 206 2HD1 ILE 25 2HD1 ILE 25 2.782 -1.979 -0.877 207 3HD1 ILE 25 3HD1 ILE 25 1.859 -0.637 -1.595 208 H LYS 26 H LYS 26 4.980 1.130 3.766 209 HA LYS 26 HA LYS 26 5.664 -1.121 5.291 210 1HB LYS 26 1HB LYS 26 7.158 0.726 4.304 211 2HB LYS 26 2HB LYS 26 6.729 1.674 5.714 212 1HG LYS 26 1HG LYS 26 7.508 -0.254 7.176 213 2HG LYS 26 2HG LYS 26 8.054 -1.078 5.729 214 1HD LYS 26 1HD LYS 26 9.202 1.446 5.433 215 2HD LYS 26 2HD LYS 26 9.274 1.210 7.168 216 1HE LYS 26 1HE LYS 26 10.538 -0.838 6.942 217 2HE LYS 26 2HE LYS 26 10.201 -0.947 5.226 218 1HZ LYS 26 1HZ LYS 26 12.317 0.323 6.433 219 2HZ LYS 26 2HZ LYS 26 11.959 0.292 4.840 220 3HZ LYS 26 3HZ LYS 26 11.407 1.509 5.777 221 H GLU 27 H GLU 27 3.562 1.632 5.868 222 HA GLU 27 HA GLU 27 3.721 1.643 8.643 223 1HB GLU 27 1HB GLU 27 2.203 2.956 6.577 224 2HB GLU 27 2HB GLU 27 1.074 2.390 7.791 225 1HG GLU 27 1HG GLU 27 2.475 3.478 9.576 226 2HG GLU 27 2HG GLU 27 3.563 4.077 8.339 227 H ILE 28 H ILE 28 1.778 -0.257 6.301 228 HA ILE 28 HA ILE 28 0.048 -1.372 8.231 229 HB ILE 28 HB ILE 28 0.713 -1.801 5.375 230 1HG1 ILE 28 1HG1 ILE 28 -2.011 -2.003 5.729 231 2HG1 ILE 28 2HG1 ILE 28 -1.555 -0.937 7.043 232 1HG2 ILE 28 1HG2 ILE 28 -0.488 -3.875 5.196 233 2HG2 ILE 28 2HG2 ILE 28 0.846 -4.085 6.355 234 3HG2 ILE 28 3HG2 ILE 28 -0.822 -3.889 6.944 235 1HD1 ILE 28 1HD1 ILE 28 -0.620 -0.517 4.170 236 2HD1 ILE 28 2HD1 ILE 28 -2.082 0.238 4.848 237 3HD1 ILE 28 3HD1 ILE 28 -0.483 0.625 5.528 238 H VAL 29 H VAL 29 3.327 -2.109 7.082 239 HA VAL 29 HA VAL 29 3.310 -4.684 8.394 240 HB VAL 29 HB VAL 29 5.802 -3.417 7.383 241 1HG1 VAL 29 1HG1 VAL 29 6.041 -5.645 8.116 242 2HG1 VAL 29 2HG1 VAL 29 4.536 -6.163 7.318 243 3HG1 VAL 29 3HG1 VAL 29 5.967 -5.756 6.341 244 1HG2 VAL 29 1HG2 VAL 29 4.460 -2.624 5.630 245 2HG2 VAL 29 2HG2 VAL 29 5.079 -4.178 5.023 246 3HG2 VAL 29 3HG2 VAL 29 3.416 -4.066 5.648 247 H GLU 30 H GLU 30 2.923 -1.936 9.796 248 HA GLU 30 HA GLU 30 5.261 -1.560 11.303 249 1HB GLU 30 1HB GLU 30 2.392 -0.617 11.531 250 2HB GLU 30 2HB GLU 30 3.522 -0.290 12.830 251 1HG GLU 30 1HG GLU 30 4.500 0.322 10.064 252 2HG GLU 30 2HG GLU 30 3.204 1.342 10.658 253 H ASN 31 H ASN 31 2.460 -3.702 11.540 254 HA ASN 31 HA ASN 31 3.731 -4.971 13.777 255 1HB ASN 31 1HB ASN 31 0.847 -3.942 13.891 256 2HB ASN 31 2HB ASN 31 1.524 -5.068 15.051 257 1HD2 ASN 31 1HD2 ASN 31 1.633 -1.821 13.759 258 2HD2 ASN 31 2HD2 ASN 31 2.474 -1.061 15.069 259 H GLU 32 H GLU 32 3.785 -6.104 11.368 260 HA GLU 32 HA GLU 32 1.464 -7.308 10.459 261 1HB GLU 32 1HB GLU 32 2.896 -8.574 9.005 262 2HB GLU 32 2HB GLU 32 3.654 -7.006 9.203 263 1HG GLU 32 1HG GLU 32 5.523 -7.979 10.036 264 2HG GLU 32 2HG GLU 32 4.598 -8.708 11.333 265 H ASP 33 H ASP 33 2.268 -10.097 10.182 266 HA ASP 33 HA ASP 33 2.598 -11.079 12.839 267 1HB ASP 33 1HB ASP 33 0.009 -10.537 12.146 268 2HB ASP 33 2HB ASP 33 0.149 -12.151 11.477 269 H LYS 34 H LYS 34 2.920 -13.496 12.780 270 HA LYS 34 HA LYS 34 4.088 -14.296 10.293 271 1HB LYS 34 1HB LYS 34 4.328 -14.982 13.061 272 2HB LYS 34 2HB LYS 34 3.962 -16.445 12.170 273 1HG LYS 34 1HG LYS 34 5.894 -16.279 10.822 274 2HG LYS 34 2HG LYS 34 6.035 -14.547 11.053 275 1HD LYS 34 1HD LYS 34 7.753 -15.319 12.442 276 2HD LYS 34 2HD LYS 34 6.440 -15.171 13.593 277 1HE LYS 34 1HE LYS 34 6.805 -17.792 12.120 278 2HE LYS 34 2HE LYS 34 7.875 -17.415 13.456 279 1HZ LYS 34 1HZ LYS 34 4.980 -17.756 13.503 280 2HZ LYS 34 2HZ LYS 34 6.111 -18.460 14.447 281 3HZ LYS 34 3HZ LYS 34 5.717 -16.893 14.677 282 H ARG 35 H ARG 35 1.097 -14.926 12.139 283 HA ARG 35 HA ARG 35 0.377 -17.057 10.396 284 1HB ARG 35 1HB ARG 35 -1.637 -17.219 11.752 285 2HB ARG 35 2HB ARG 35 -0.301 -16.908 12.843 286 1HG ARG 35 1HG ARG 35 -0.874 -14.454 12.807 287 2HG ARG 35 2HG ARG 35 -2.243 -14.806 11.771 288 1HD ARG 35 1HD ARG 35 -1.966 -16.294 14.397 289 2HD ARG 35 2HD ARG 35 -2.565 -14.647 14.410 290 HE ARG 35 HE ARG 35 -4.533 -15.347 13.290 291 1HH1 ARG 35 1HH1 ARG 35 -2.199 -17.974 13.463 292 2HH1 ARG 35 2HH1 ARG 35 -3.336 -19.187 12.977 293 1HH2 ARG 35 1HH2 ARG 35 -6.034 -16.947 12.650 294 2HH2 ARG 35 2HH2 ARG 35 -5.532 -18.599 12.512 295 H LYS 36 H LYS 36 0.407 -13.672 10.175 296 HA LYS 36 HA LYS 36 -1.126 -13.685 7.803 297 1HB LYS 36 1HB LYS 36 -3.012 -13.751 9.359 298 2HB LYS 36 2HB LYS 36 -2.392 -12.356 10.217 299 1HG LYS 36 1HG LYS 36 -2.443 -11.197 7.830 300 2HG LYS 36 2HG LYS 36 -3.552 -12.490 7.421 301 1HD LYS 36 1HD LYS 36 -4.907 -10.648 8.188 302 2HD LYS 36 2HD LYS 36 -4.941 -11.851 9.461 303 1HE LYS 36 1HE LYS 36 -3.862 -10.485 10.946 304 2HE LYS 36 2HE LYS 36 -2.680 -9.973 9.759 305 1HZ LYS 36 1HZ LYS 36 -4.610 -8.642 8.805 306 2HZ LYS 36 2HZ LYS 36 -5.337 -8.873 10.249 307 3HZ LYS 36 3HZ LYS 36 -3.904 -8.093 10.172 308 HA PRO 37 HA PRO 37 2.039 -10.494 8.360 309 1HB PRO 37 1HB PRO 37 3.701 -11.254 6.328 310 2HB PRO 37 2HB PRO 37 3.932 -11.751 7.993 311 1HG PRO 37 1HG PRO 37 2.902 -13.328 5.714 312 2HG PRO 37 2HG PRO 37 3.535 -13.897 7.246 313 1HD PRO 37 1HD PRO 37 0.776 -13.759 6.473 314 2HD PRO 37 2HD PRO 37 1.402 -14.218 8.044 315 H TYR 38 H TYR 38 2.467 -8.565 7.187 316 HA TYR 38 HA TYR 38 0.371 -8.154 5.239 317 1HB TYR 38 1HB TYR 38 2.570 -6.496 6.611 318 2HB TYR 38 2HB TYR 38 1.494 -5.782 5.425 319 HD1 TYR 38 HD1 TYR 38 2.030 -6.068 8.818 320 HD2 TYR 38 HD2 TYR 38 -1.137 -6.428 5.963 321 HE1 TYR 38 HE1 TYR 38 0.322 -5.596 10.641 322 HE2 TYR 38 HE2 TYR 38 -2.833 -5.954 7.796 323 HH TYR 38 HH TYR 38 -2.986 -6.153 10.199 324 H SER 39 H SER 39 1.659 -9.899 3.858 325 HA SER 39 HA SER 39 3.999 -8.923 2.617 326 1HB SER 39 1HB SER 39 2.233 -11.094 1.457 327 2HB SER 39 2HB SER 39 3.978 -10.952 1.382 328 HG SER 39 HG SER 39 4.061 -12.169 3.131 329 H ASP 40 H ASP 40 4.053 -8.837 0.060 330 HA ASP 40 HA ASP 40 2.758 -6.666 -0.781 331 1HB ASP 40 1HB ASP 40 2.904 -8.042 -3.143 332 2HB ASP 40 2HB ASP 40 4.278 -7.263 -2.384 333 H GLN 41 H GLN 41 1.545 -9.991 -0.498 334 HA GLN 41 HA GLN 41 -0.611 -9.746 -2.251 335 1HB GLN 41 1HB GLN 41 -0.241 -11.965 -1.772 336 2HB GLN 41 2HB GLN 41 0.283 -11.641 -0.132 337 1HG GLN 41 1HG GLN 41 -1.841 -12.832 -0.029 338 2HG GLN 41 2HG GLN 41 -2.109 -11.189 0.519 339 1HE2 GLN 41 1HE2 GLN 41 -4.342 -11.828 -0.005 340 2HE2 GLN 41 2HE2 GLN 41 -4.941 -11.561 -1.608 341 H GLU 42 H GLU 42 -0.472 -9.607 1.386 342 HA GLU 42 HA GLU 42 -3.108 -8.910 1.714 343 1HB GLU 42 1HB GLU 42 -1.200 -9.595 3.422 344 2HB GLU 42 2HB GLU 42 -0.966 -7.866 3.575 345 1HG GLU 42 1HG GLU 42 -3.110 -7.510 4.490 346 2HG GLU 42 2HG GLU 42 -3.776 -8.962 3.769 347 H ILE 43 H ILE 43 -0.310 -6.636 2.212 348 HA ILE 43 HA ILE 43 -1.547 -4.307 2.326 349 HB ILE 43 HB ILE 43 1.034 -5.239 1.422 350 1HG1 ILE 43 1HG1 ILE 43 1.134 -2.596 2.453 351 2HG1 ILE 43 2HG1 ILE 43 -0.138 -3.425 3.327 352 1HG2 ILE 43 1HG2 ILE 43 0.144 -2.594 0.245 353 2HG2 ILE 43 2HG2 ILE 43 1.739 -3.372 0.096 354 3HG2 ILE 43 3HG2 ILE 43 0.315 -4.104 -0.682 355 1HD1 ILE 43 1HD1 ILE 43 1.617 -5.403 3.485 356 2HD1 ILE 43 2HD1 ILE 43 2.799 -4.116 3.144 357 3HD1 ILE 43 3HD1 ILE 43 1.755 -4.008 4.582 358 H ALA 44 H ALA 44 -1.130 -6.252 -0.664 359 HA ALA 44 HA ALA 44 -2.046 -4.350 -2.467 360 1HB ALA 44 1HB ALA 44 -2.885 -6.791 -3.474 361 2HB ALA 44 2HB ALA 44 -1.255 -6.100 -3.662 362 3HB ALA 44 3HB ALA 44 -1.585 -7.258 -2.351 363 H ASN 45 H ASN 45 -3.880 -7.032 -0.826 364 HA ASN 45 HA ASN 45 -6.332 -6.095 -1.785 365 1HB ASN 45 1HB ASN 45 -7.129 -7.607 0.290 366 2HB ASN 45 2HB ASN 45 -6.460 -8.345 -1.152 367 1HD2 ASN 45 1HD2 ASN 45 -4.731 -9.583 -1.001 368 2HD2 ASN 45 2HD2 ASN 45 -3.705 -9.761 0.383 369 H ILE 46 H ILE 46 -4.169 -4.905 0.570 370 HA ILE 46 HA ILE 46 -6.150 -3.997 2.450 371 HB ILE 46 HB ILE 46 -3.193 -3.964 2.204 372 1HG1 ILE 46 1HG1 ILE 46 -5.254 -4.753 4.248 373 2HG1 ILE 46 2HG1 ILE 46 -4.014 -5.732 3.489 374 1HG2 ILE 46 1HG2 ILE 46 -2.907 -2.294 3.936 375 2HG2 ILE 46 2HG2 ILE 46 -3.740 -1.580 2.533 376 3HG2 ILE 46 3HG2 ILE 46 -4.664 -2.009 3.993 377 1HD1 ILE 46 1HD1 ILE 46 -3.741 -3.722 5.728 378 2HD1 ILE 46 2HD1 ILE 46 -3.076 -5.369 5.603 379 3HD1 ILE 46 3HD1 ILE 46 -2.342 -4.041 4.673 380 H LEU 47 H LEU 47 -4.039 -2.596 -0.130 381 HA LEU 47 HA LEU 47 -4.806 0.043 0.230 382 1HB LEU 47 1HB LEU 47 -3.757 -1.539 -2.096 383 2HB LEU 47 2HB LEU 47 -4.199 0.146 -2.289 384 HG LEU 47 HG LEU 47 -2.308 0.863 -1.349 385 1HD1 LEU 47 1HD1 LEU 47 -2.781 -1.194 0.818 386 2HD1 LEU 47 2HD1 LEU 47 -1.387 -0.086 0.800 387 3HD1 LEU 47 3HD1 LEU 47 -3.041 0.566 0.889 388 1HD2 LEU 47 1HD2 LEU 47 -1.737 -1.418 -2.649 389 2HD2 LEU 47 2HD2 LEU 47 -0.503 -0.389 -1.884 390 3HD2 LEU 47 3HD2 LEU 47 -1.107 -1.833 -1.037 391 H LYS 48 H LYS 48 -6.431 -2.702 -1.348 392 HA LYS 48 HA LYS 48 -8.258 -1.301 -2.880 393 1HB LYS 48 1HB LYS 48 -7.905 -3.694 -3.090 394 2HB LYS 48 2HB LYS 48 -8.501 -3.972 -1.466 395 1HG LYS 48 1HG LYS 48 -10.606 -4.127 -2.287 396 2HG LYS 48 2HG LYS 48 -10.524 -2.446 -2.776 397 1HD LYS 48 1HD LYS 48 -9.110 -4.361 -4.583 398 2HD LYS 48 2HD LYS 48 -10.851 -4.547 -4.522 399 1HE LYS 48 1HE LYS 48 -10.840 -2.892 -6.113 400 2HE LYS 48 2HE LYS 48 -10.693 -1.821 -4.734 401 1HZ LYS 48 1HZ LYS 48 -8.439 -1.614 -5.065 402 2HZ LYS 48 2HZ LYS 48 -8.307 -2.972 -5.963 403 3HZ LYS 48 3HZ LYS 48 -9.004 -1.638 -6.598 404 H GLU 49 H GLU 49 -8.198 -2.053 0.625 405 HA GLU 49 HA GLU 49 -10.823 -1.278 1.110 406 1HB GLU 49 1HB GLU 49 -8.401 -1.909 2.685 407 2HB GLU 49 2HB GLU 49 -9.447 -0.744 3.474 408 1HG GLU 49 1HG GLU 49 -11.022 -2.917 2.293 409 2HG GLU 49 2HG GLU 49 -9.798 -3.555 3.373 410 H LYS 50 H LYS 50 -7.776 0.524 0.744 411 HA LYS 50 HA LYS 50 -8.940 2.952 1.774 412 1HB LYS 50 1HB LYS 50 -6.272 1.955 1.095 413 2HB LYS 50 2HB LYS 50 -6.536 3.596 0.541 414 1HG LYS 50 1HG LYS 50 -7.073 2.613 3.385 415 2HG LYS 50 2HG LYS 50 -5.639 3.489 2.886 416 1HD LYS 50 1HD LYS 50 -6.731 5.507 2.823 417 2HD LYS 50 2HD LYS 50 -8.167 4.823 2.088 418 1HE LYS 50 1HE LYS 50 -9.164 5.076 4.120 419 2HE LYS 50 2HE LYS 50 -8.219 3.695 4.641 420 1HZ LYS 50 1HZ LYS 50 -8.061 6.112 5.724 421 2HZ LYS 50 2HZ LYS 50 -6.869 4.998 5.811 422 3HZ LYS 50 3HZ LYS 50 -6.801 6.181 4.687 423 H GLY 51 H GLY 51 -7.690 1.742 -1.415 424 1HA GLY 51 1HA GLY 51 -9.305 2.108 -3.265 425 2HA GLY 51 2HA GLY 51 -9.427 3.764 -2.703 426 H PHE 52 H PHE 52 -6.265 2.852 -2.051 427 HA PHE 52 HA PHE 52 -5.171 4.535 -3.960 428 1HB PHE 52 1HB PHE 52 -3.912 2.100 -2.566 429 2HB PHE 52 2HB PHE 52 -3.046 3.516 -3.128 430 HD1 PHE 52 HD1 PHE 52 -4.942 5.636 -2.123 431 HD2 PHE 52 HD2 PHE 52 -3.409 2.138 -0.274 432 HE1 PHE 52 HE1 PHE 52 -5.226 6.703 0.131 433 HE2 PHE 52 HE2 PHE 52 -3.693 3.205 1.980 434 HZ PHE 52 HZ PHE 52 -4.598 5.475 2.156 435 H LYS 53 H LYS 53 -4.236 4.242 -5.989 436 HA LYS 53 HA LYS 53 -5.103 1.928 -7.414 437 1HB LYS 53 1HB LYS 53 -4.594 4.539 -8.073 438 2HB LYS 53 2HB LYS 53 -3.163 3.745 -8.699 439 1HG LYS 53 1HG LYS 53 -4.428 3.203 -10.512 440 2HG LYS 53 2HG LYS 53 -5.188 2.001 -9.489 441 1HD LYS 53 1HD LYS 53 -7.124 3.234 -9.229 442 2HD LYS 53 2HD LYS 53 -6.274 4.766 -9.193 443 1HE LYS 53 1HE LYS 53 -5.881 4.552 -11.691 444 2HE LYS 53 2HE LYS 53 -6.856 3.096 -11.685 445 1HZ LYS 53 1HZ LYS 53 -8.599 4.557 -10.607 446 2HZ LYS 53 2HZ LYS 53 -7.706 5.830 -11.107 447 3HZ LYS 53 3HZ LYS 53 -8.318 4.781 -12.200 448 H VAL 54 H VAL 54 -4.074 0.183 -6.270 449 HA VAL 54 HA VAL 54 -1.222 -0.006 -6.941 450 HB VAL 54 HB VAL 54 -2.233 -1.417 -4.538 451 1HG1 VAL 54 1HG1 VAL 54 0.273 0.230 -4.698 452 2HG1 VAL 54 2HG1 VAL 54 -0.039 -1.290 -3.827 453 3HG1 VAL 54 3HG1 VAL 54 0.176 -1.305 -5.593 454 1HG2 VAL 54 1HG2 VAL 54 -2.063 1.582 -4.748 455 2HG2 VAL 54 2HG2 VAL 54 -3.276 0.569 -3.929 456 3HG2 VAL 54 3HG2 VAL 54 -1.656 0.764 -3.220 457 H ALA 55 H ALA 55 -0.993 -2.725 -5.973 458 HA ALA 55 HA ALA 55 -2.812 -4.549 -6.616 459 1HB ALA 55 1HB ALA 55 -3.422 -3.916 -8.743 460 2HB ALA 55 2HB ALA 55 -1.840 -3.182 -9.098 461 3HB ALA 55 3HB ALA 55 -2.033 -4.951 -9.154 462 H ARG 56 H ARG 56 -1.892 -6.684 -6.761 463 HA ARG 56 HA ARG 56 0.262 -7.199 -5.431 464 1HB ARG 56 1HB ARG 56 0.598 -9.272 -6.965 465 2HB ARG 56 2HB ARG 56 -0.985 -9.066 -6.242 466 1HG ARG 56 1HG ARG 56 -1.828 -9.211 -8.349 467 2HG ARG 56 2HG ARG 56 -1.209 -7.592 -8.605 468 1HD ARG 56 1HD ARG 56 -0.243 -8.803 -10.393 469 2HD ARG 56 2HD ARG 56 1.055 -8.762 -9.216 470 HE ARG 56 HE ARG 56 -0.332 -11.083 -8.572 471 1HH1 ARG 56 1HH1 ARG 56 1.154 -9.835 -11.508 472 2HH1 ARG 56 2HH1 ARG 56 1.517 -11.405 -12.143 473 1HH2 ARG 56 1HH2 ARG 56 0.147 -13.154 -9.410 474 2HH2 ARG 56 2HH2 ARG 56 0.940 -13.305 -10.942 475 H ARG 57 H ARG 57 0.262 -6.356 -8.946 476 HA ARG 57 HA ARG 57 2.938 -6.794 -9.388 477 1HB ARG 57 1HB ARG 57 1.192 -6.377 -11.158 478 2HB ARG 57 2HB ARG 57 1.126 -4.692 -10.681 479 1HG ARG 57 1HG ARG 57 2.607 -4.741 -12.557 480 2HG ARG 57 2HG ARG 57 3.654 -4.577 -11.161 481 1HD ARG 57 1HD ARG 57 4.652 -6.290 -12.523 482 2HD ARG 57 2HD ARG 57 3.912 -7.132 -11.176 483 HE ARG 57 HE ARG 57 2.160 -6.835 -13.523 484 1HH1 ARG 57 1HH1 ARG 57 4.532 -8.857 -11.889 485 2HH1 ARG 57 2HH1 ARG 57 4.040 -10.308 -12.696 486 1HH2 ARG 57 1HH2 ARG 57 1.511 -8.750 -14.588 487 2HH2 ARG 57 2HH2 ARG 57 2.310 -10.247 -14.242 488 H THR 58 H THR 58 1.192 -3.672 -8.684 489 HA THR 58 HA THR 58 3.509 -2.111 -8.489 490 HB THR 58 HB THR 58 0.606 -1.910 -7.633 491 HG1 THR 58 HG1 THR 58 0.795 -1.008 -9.644 492 1HG2 THR 58 1HG2 THR 58 0.925 0.268 -6.700 493 2HG2 THR 58 2HG2 THR 58 2.201 -0.702 -5.926 494 3HG2 THR 58 3HG2 THR 58 2.601 0.366 -7.292 495 H VAL 59 H VAL 59 1.635 -3.920 -5.994 496 HA VAL 59 HA VAL 59 3.081 -2.985 -3.812 497 HB VAL 59 HB VAL 59 1.933 -5.757 -4.040 498 1HG1 VAL 59 1HG1 VAL 59 1.320 -5.400 -1.708 499 2HG1 VAL 59 2HG1 VAL 59 3.060 -5.101 -1.937 500 3HG1 VAL 59 3HG1 VAL 59 1.935 -3.731 -1.777 501 1HG2 VAL 59 1HG2 VAL 59 -0.034 -4.928 -4.700 502 2HG2 VAL 59 2HG2 VAL 59 -0.124 -4.077 -3.139 503 3HG2 VAL 59 3HG2 VAL 59 0.556 -3.254 -4.564 504 H ALA 60 H ALA 60 3.647 -5.737 -6.072 505 HA ALA 60 HA ALA 60 5.717 -6.960 -4.753 506 1HB ALA 60 1HB ALA 60 4.638 -6.799 -7.481 507 2HB ALA 60 2HB ALA 60 6.388 -7.122 -7.448 508 3HB ALA 60 3HB ALA 60 5.267 -8.202 -6.585 509 H LYS 61 H LYS 61 5.734 -4.041 -6.869 510 HA LYS 61 HA LYS 61 8.525 -3.776 -6.935 511 1HB LYS 61 1HB LYS 61 6.524 -2.658 -8.303 512 2HB LYS 61 2HB LYS 61 6.744 -1.383 -7.122 513 1HG LYS 61 1HG LYS 61 9.311 -1.620 -7.696 514 2HG LYS 61 2HG LYS 61 8.751 -2.454 -9.131 515 1HD LYS 61 1HD LYS 61 7.218 -0.418 -9.559 516 2HD LYS 61 2HD LYS 61 8.103 0.403 -8.290 517 1HE LYS 61 1HE LYS 61 9.960 -0.860 -10.168 518 2HE LYS 61 2HE LYS 61 8.841 0.180 -11.026 519 1HZ LYS 61 1HZ LYS 61 9.937 1.262 -8.595 520 2HZ LYS 61 2HZ LYS 61 10.998 1.067 -9.821 521 3HZ LYS 61 3HZ LYS 61 9.668 1.990 -10.032 522 H TYR 62 H TYR 62 5.975 -2.498 -4.726 523 HA TYR 62 HA TYR 62 7.723 -0.895 -3.218 524 1HB TYR 62 1HB TYR 62 5.014 -2.281 -2.912 525 2HB TYR 62 2HB TYR 62 5.692 -1.453 -1.525 526 HD1 TYR 62 HD1 TYR 62 6.578 1.045 -2.119 527 HD2 TYR 62 HD2 TYR 62 3.529 -1.088 -4.230 528 HE1 TYR 62 HE1 TYR 62 5.623 3.241 -2.972 529 HE2 TYR 62 HE2 TYR 62 2.584 1.115 -5.076 530 HH TYR 62 HH TYR 62 4.208 4.176 -4.333 531 H ARG 63 H ARG 63 6.691 -4.333 -2.977 532 HA ARG 63 HA ARG 63 7.672 -4.781 -0.450 533 1HB ARG 63 1HB ARG 63 6.197 -6.351 -1.739 534 2HB ARG 63 2HB ARG 63 7.529 -6.719 -2.816 535 1HG ARG 63 1HG ARG 63 8.009 -7.061 0.138 536 2HG ARG 63 2HG ARG 63 6.968 -8.232 -0.646 537 1HD ARG 63 1HD ARG 63 9.046 -8.108 -2.460 538 2HD ARG 63 2HD ARG 63 9.904 -7.797 -0.964 539 HE ARG 63 HE ARG 63 8.155 -9.996 -0.500 540 1HH1 ARG 63 1HH1 ARG 63 11.011 -9.233 -2.410 541 2HH1 ARG 63 2HH1 ARG 63 11.591 -10.865 -2.429 542 1HH2 ARG 63 1HH2 ARG 63 8.920 -12.149 -0.526 543 2HH2 ARG 63 2HH2 ARG 63 10.393 -12.535 -1.351 544 H GLU 64 H GLU 64 9.233 -4.922 -3.696 545 HA GLU 64 HA GLU 64 11.633 -6.014 -2.732 546 1HB GLU 64 1HB GLU 64 10.567 -4.976 -5.289 547 2HB GLU 64 2HB GLU 64 12.286 -4.696 -5.096 548 1HG GLU 64 1HG GLU 64 12.210 -7.272 -4.251 549 2HG GLU 64 2HG GLU 64 10.793 -7.300 -5.282 550 H MET 65 H MET 65 10.395 -2.689 -3.278 551 HA MET 65 HA MET 65 12.866 -1.436 -2.910 552 1HB MET 65 1HB MET 65 9.986 -0.715 -3.135 553 2HB MET 65 2HB MET 65 10.881 0.396 -2.117 554 1HG MET 65 1HG MET 65 11.547 1.420 -4.042 555 2HG MET 65 2HG MET 65 12.608 0.047 -4.290 556 1HE MET 65 1HE MET 65 8.737 0.474 -4.280 557 2HE MET 65 2HE MET 65 9.276 1.814 -5.320 558 3HE MET 65 3HE MET 65 8.352 0.461 -6.018 559 H LEU 66 H LEU 66 10.225 -2.429 -0.691 560 HA LEU 66 HA LEU 66 11.485 -1.111 1.542 561 1HB LEU 66 1HB LEU 66 9.129 -2.998 1.495 562 2HB LEU 66 2HB LEU 66 9.616 -1.951 2.814 563 HG LEU 66 HG LEU 66 8.930 -0.742 0.151 564 1HD1 LEU 66 1HD1 LEU 66 7.042 -2.133 0.440 565 2HD1 LEU 66 2HD1 LEU 66 6.961 -1.797 2.186 566 3HD1 LEU 66 3HD1 LEU 66 6.556 -0.520 1.014 567 1HD2 LEU 66 1HD2 LEU 66 7.906 0.834 2.167 568 2HD2 LEU 66 2HD2 LEU 66 9.390 0.171 2.893 569 3HD2 LEU 66 3HD2 LEU 66 9.473 1.059 1.353 570 H GLY 67 H GLY 67 10.442 -4.550 0.993 571 1HA GLY 67 1HA GLY 67 12.402 -5.503 2.862 572 2HA GLY 67 2HA GLY 67 11.298 -6.451 1.886 Start of MODEL 17 1 1H THR 1 1H THR 1 -14.607 41.866 4.601 2 HA THR 1 HA THR 1 -13.622 43.723 5.522 3 HB THR 1 HB THR 1 -15.451 43.049 7.878 4 HG1 THR 1 HG1 THR 1 -15.057 45.324 6.064 5 1HG2 THR 1 1HG2 THR 1 -14.513 45.622 8.287 6 2HG2 THR 1 2HG2 THR 1 -13.909 44.194 9.162 7 3HG2 THR 1 3HG2 THR 1 -13.036 44.797 7.733 8 H TYR 2 H TYR 2 -14.083 40.953 7.819 9 HA TYR 2 HA TYR 2 -11.300 40.307 7.548 10 1HB TYR 2 1HB TYR 2 -11.079 42.046 9.240 11 2HB TYR 2 2HB TYR 2 -12.604 41.616 9.989 12 HD1 TYR 2 HD1 TYR 2 -12.449 40.631 12.075 13 HD2 TYR 2 HD2 TYR 2 -9.336 39.913 9.229 14 HE1 TYR 2 HE1 TYR 2 -11.205 39.216 13.782 15 HE2 TYR 2 HE2 TYR 2 -8.102 38.501 10.946 16 HH TYR 2 HH TYR 2 -7.980 38.309 13.363 17 H SER 3 H SER 3 -11.711 38.177 7.063 18 HA SER 3 HA SER 3 -13.109 36.716 9.153 19 1HB SER 3 1HB SER 3 -13.519 36.408 6.147 20 2HB SER 3 2HB SER 3 -14.099 35.249 7.326 21 HG SER 3 HG SER 3 -14.788 37.978 7.752 22 H LEU 4 H LEU 4 -12.707 34.172 8.665 23 HA LEU 4 HA LEU 4 -9.930 33.897 7.757 24 1HB LEU 4 1HB LEU 4 -9.465 32.405 9.576 25 2HB LEU 4 2HB LEU 4 -9.984 33.963 10.188 26 HG LEU 4 HG LEU 4 -11.989 31.742 9.914 27 1HD1 LEU 4 1HD1 LEU 4 -10.130 32.062 12.286 28 2HD1 LEU 4 2HD1 LEU 4 -11.464 30.895 12.115 29 3HD1 LEU 4 3HD1 LEU 4 -10.030 30.767 11.068 30 1HD2 LEU 4 1HD2 LEU 4 -12.119 34.380 10.778 31 2HD2 LEU 4 2HD2 LEU 4 -13.334 33.107 11.045 32 3HD2 LEU 4 3HD2 LEU 4 -12.096 33.430 12.283 33 H ARG 5 H ARG 5 -9.560 31.244 7.741 34 HA ARG 5 HA ARG 5 -11.900 29.968 6.718 35 1HB ARG 5 1HB ARG 5 -10.873 29.405 4.516 36 2HB ARG 5 2HB ARG 5 -11.072 31.137 4.695 37 1HG ARG 5 1HG ARG 5 -8.786 31.533 4.865 38 2HG ARG 5 2HG ARG 5 -8.463 29.998 5.647 39 1HD ARG 5 1HD ARG 5 -8.206 28.869 3.645 40 2HD ARG 5 2HD ARG 5 -9.460 29.788 2.838 41 HE ARG 5 HE ARG 5 -7.106 31.409 3.445 42 1HH1 ARG 5 1HH1 ARG 5 -8.506 29.155 1.134 43 2HH1 ARG 5 2HH1 ARG 5 -7.535 29.710 -0.189 44 1HH2 ARG 5 1HH2 ARG 5 -5.825 32.141 1.701 45 2HH2 ARG 5 2HH2 ARG 5 -6.000 31.420 0.136 46 H THR 6 H THR 6 -11.186 27.602 5.910 47 HA THR 6 HA THR 6 -8.797 26.691 7.315 48 HB THR 6 HB THR 6 -10.369 24.821 8.290 49 HG1 THR 6 HG1 THR 6 -12.203 25.593 6.966 50 1HG2 THR 6 1HG2 THR 6 -11.337 27.209 9.671 51 2HG2 THR 6 2HG2 THR 6 -10.199 25.972 10.257 52 3HG2 THR 6 3HG2 THR 6 -9.598 27.365 9.326 53 H PHE 7 H PHE 7 -8.946 24.020 6.993 54 HA PHE 7 HA PHE 7 -9.954 23.297 4.444 55 1HB PHE 7 1HB PHE 7 -7.522 22.875 3.583 56 2HB PHE 7 2HB PHE 7 -8.056 24.544 3.583 57 HD1 PHE 7 HD1 PHE 7 -5.929 22.083 5.297 58 HD2 PHE 7 HD2 PHE 7 -7.050 26.167 5.036 59 HE1 PHE 7 HE1 PHE 7 -3.951 22.716 6.707 60 HE2 PHE 7 HE2 PHE 7 -5.073 26.800 6.446 61 HZ PHE 7 HZ PHE 7 -3.547 25.067 7.265 62 H PHE 8 H PHE 8 -8.581 21.089 3.781 63 HA PHE 8 HA PHE 8 -8.456 19.576 6.295 64 1HB PHE 8 1HB PHE 8 -9.317 17.690 4.875 65 2HB PHE 8 2HB PHE 8 -10.408 19.059 4.793 66 HD1 PHE 8 HD1 PHE 8 -10.496 20.456 2.760 67 HD2 PHE 8 HD2 PHE 8 -8.093 16.963 2.941 68 HE1 PHE 8 HE1 PHE 8 -10.316 20.450 0.257 69 HE2 PHE 8 HE2 PHE 8 -7.913 16.957 0.437 70 HZ PHE 8 HZ PHE 8 -9.027 18.700 -0.875 71 H VAL 9 H VAL 9 -6.503 18.687 6.765 72 HA VAL 9 HA VAL 9 -4.822 17.826 4.557 73 HB VAL 9 HB VAL 9 -4.101 20.087 4.878 74 1HG1 VAL 9 1HG1 VAL 9 -4.296 19.394 7.783 75 2HG1 VAL 9 2HG1 VAL 9 -3.054 20.564 7.276 76 3HG1 VAL 9 3HG1 VAL 9 -4.770 20.879 6.925 77 1HG2 VAL 9 1HG2 VAL 9 -2.104 19.156 4.454 78 2HG2 VAL 9 2HG2 VAL 9 -1.777 19.363 6.192 79 3HG2 VAL 9 3HG2 VAL 9 -2.394 17.809 5.581 80 H ARG 10 H ARG 10 -5.710 15.771 5.466 81 HA ARG 10 HA ARG 10 -3.885 14.843 7.453 82 1HB ARG 10 1HB ARG 10 -5.671 13.895 8.927 83 2HB ARG 10 2HB ARG 10 -5.734 15.646 8.883 84 1HG ARG 10 1HG ARG 10 -7.381 14.940 6.743 85 2HG ARG 10 2HG ARG 10 -7.709 13.666 7.901 86 1HD ARG 10 1HD ARG 10 -7.890 16.668 8.451 87 2HD ARG 10 2HD ARG 10 -9.248 15.580 8.248 88 HE ARG 10 HE ARG 10 -7.512 14.595 10.331 89 1HH1 ARG 10 1HH1 ARG 10 -9.899 17.099 9.684 90 2HH1 ARG 10 2HH1 ARG 10 -10.378 17.249 11.342 91 1HH2 ARG 10 1HH2 ARG 10 -8.143 14.793 12.518 92 2HH2 ARG 10 2HH2 ARG 10 -9.373 15.928 12.965 93 H GLU 11 H GLU 11 -3.216 13.643 5.485 94 HA GLU 11 HA GLU 11 -3.095 11.798 4.339 95 1HB GLU 11 1HB GLU 11 -4.927 11.027 6.490 96 2HB GLU 11 2HB GLU 11 -5.292 10.151 5.017 97 1HG GLU 11 1HG GLU 11 -3.392 8.899 5.164 98 2HG GLU 11 2HG GLU 11 -2.392 10.304 5.473 99 H SER 12 H SER 12 -3.633 11.505 2.198 100 HA SER 12 HA SER 12 -6.297 11.460 1.343 101 1HB SER 12 1HB SER 12 -6.467 13.524 0.119 102 2HB SER 12 2HB SER 12 -5.990 13.946 1.752 103 HG SER 12 HG SER 12 -4.156 13.651 -0.473 104 H ALA 13 H ALA 13 -5.519 9.516 0.349 105 HA ALA 13 HA ALA 13 -3.208 9.468 -1.260 106 1HB ALA 13 1HB ALA 13 -4.168 7.478 -0.179 107 2HB ALA 13 2HB ALA 13 -5.642 7.640 -1.162 108 3HB ALA 13 3HB ALA 13 -4.090 7.253 -1.943 109 H GLU 14 H GLU 14 -5.659 8.024 -3.099 110 HA GLU 14 HA GLU 14 -6.066 8.414 -5.248 111 1HB GLU 14 1HB GLU 14 -8.033 9.240 -3.869 112 2HB GLU 14 2HB GLU 14 -7.419 10.871 -4.053 113 1HG GLU 14 1HG GLU 14 -7.392 10.049 -6.675 114 2HG GLU 14 2HG GLU 14 -8.735 9.100 -6.069 115 H GLY 15 H GLY 15 -3.534 9.042 -5.289 116 1HA GLY 15 1HA GLY 15 -2.726 10.452 -7.232 117 2HA GLY 15 2HA GLY 15 -3.292 11.813 -6.284 118 H LEU 16 H LEU 16 -2.406 9.689 -3.924 119 HA LEU 16 HA LEU 16 -0.296 11.057 -2.967 120 1HB LEU 16 1HB LEU 16 0.366 8.759 -1.961 121 2HB LEU 16 2HB LEU 16 -1.136 9.538 -1.505 122 HG LEU 16 HG LEU 16 -2.439 8.054 -2.828 123 1HD1 LEU 16 1HD1 LEU 16 -1.151 7.964 -4.850 124 2HD1 LEU 16 2HD1 LEU 16 0.166 7.089 -4.034 125 3HD1 LEU 16 3HD1 LEU 16 -1.412 6.301 -4.272 126 1HD2 LEU 16 1HD2 LEU 16 -1.876 5.859 -1.899 127 2HD2 LEU 16 2HD2 LEU 16 -0.257 6.455 -1.460 128 3HD2 LEU 16 3HD2 LEU 16 -1.701 7.148 -0.684 129 H THR 17 H THR 17 2.070 10.470 -2.830 130 HA THR 17 HA THR 17 3.033 10.041 -5.536 131 HB THR 17 HB THR 17 5.236 10.692 -4.281 132 HG1 THR 17 HG1 THR 17 4.824 10.646 -2.104 133 1HG2 THR 17 1HG2 THR 17 2.934 12.684 -3.986 134 2HG2 THR 17 2HG2 THR 17 4.663 13.053 -4.194 135 3HG2 THR 17 3HG2 THR 17 3.731 12.361 -5.544 136 H GLN 18 H GLN 18 4.824 8.575 -6.015 137 HA GLN 18 HA GLN 18 4.217 6.018 -5.213 138 1HB GLN 18 1HB GLN 18 6.322 7.351 -6.815 139 2HB GLN 18 2HB GLN 18 6.847 5.844 -6.091 140 1HG GLN 18 1HG GLN 18 5.863 4.892 -7.929 141 2HG GLN 18 2HG GLN 18 4.384 5.077 -7.008 142 1HE2 GLN 18 1HE2 GLN 18 3.772 4.969 -9.423 143 2HE2 GLN 18 2HE2 GLN 18 3.513 6.487 -10.217 144 H GLY 19 H GLY 19 6.479 8.431 -3.878 145 1HA GLY 19 1HA GLY 19 7.921 6.615 -2.217 146 2HA GLY 19 2HA GLY 19 7.903 8.365 -2.126 147 H GLU 20 H GLU 20 4.935 8.583 -1.904 148 HA GLU 20 HA GLU 20 4.802 8.375 0.882 149 1HB GLU 20 1HB GLU 20 3.004 9.253 -1.336 150 2HB GLU 20 2HB GLU 20 2.196 8.767 0.141 151 1HG GLU 20 1HG GLU 20 4.373 10.349 1.018 152 2HG GLU 20 2HG GLU 20 3.772 11.183 -0.401 153 H LEU 21 H LEU 21 3.497 6.415 -1.842 154 HA LEU 21 HA LEU 21 1.830 4.777 -0.338 155 1HB LEU 21 1HB LEU 21 2.273 5.112 -2.933 156 2HB LEU 21 2HB LEU 21 3.297 3.708 -2.704 157 HG LEU 21 HG LEU 21 1.330 2.713 -3.325 158 1HD1 LEU 21 1HD1 LEU 21 0.689 2.896 -0.384 159 2HD1 LEU 21 2HD1 LEU 21 0.470 1.527 -1.501 160 3HD1 LEU 21 3HD1 LEU 21 2.106 2.002 -0.985 161 1HD2 LEU 21 1HD2 LEU 21 -0.835 3.524 -3.080 162 2HD2 LEU 21 2HD2 LEU 21 -0.423 4.488 -1.641 163 3HD2 LEU 21 3HD2 LEU 21 0.138 5.004 -3.250 164 H MET 22 H MET 22 5.356 4.644 -1.013 165 HA MET 22 HA MET 22 5.852 2.124 -0.111 166 1HB MET 22 1HB MET 22 7.548 3.583 -1.178 167 2HB MET 22 2HB MET 22 7.481 4.708 0.164 168 1HG MET 22 1HG MET 22 8.618 3.237 1.636 169 2HG MET 22 2HG MET 22 8.193 1.813 0.707 170 1HE MET 22 1HE MET 22 8.797 2.445 -2.237 171 2HE MET 22 2HE MET 22 10.502 1.953 -2.368 172 3HE MET 22 3HE MET 22 9.369 0.987 -1.392 173 H LYS 23 H LYS 23 6.009 5.206 1.822 174 HA LYS 23 HA LYS 23 6.500 3.925 4.254 175 1HB LYS 23 1HB LYS 23 6.483 6.022 5.139 176 2HB LYS 23 2HB LYS 23 6.665 6.448 3.449 177 1HG LYS 23 1HG LYS 23 4.878 7.829 4.022 178 2HG LYS 23 2HG LYS 23 4.002 6.423 3.450 179 1HD LYS 23 1HD LYS 23 2.999 6.256 5.474 180 2HD LYS 23 2HD LYS 23 4.557 5.902 6.194 181 1HE LYS 23 1HE LYS 23 3.684 7.821 7.369 182 2HE LYS 23 2HE LYS 23 4.977 8.415 6.346 183 1HZ LYS 23 1HZ LYS 23 2.990 9.759 6.188 184 2HZ LYS 23 2HZ LYS 23 3.343 9.091 4.741 185 3HZ LYS 23 3HZ LYS 23 2.124 8.486 5.643 186 H LEU 24 H LEU 24 3.503 4.680 2.460 187 HA LEU 24 HA LEU 24 1.758 4.149 4.606 188 1HB LEU 24 1HB LEU 24 1.344 4.092 1.614 189 2HB LEU 24 2HB LEU 24 0.059 3.963 2.798 190 HG LEU 24 HG LEU 24 1.912 6.334 2.835 191 1HD1 LEU 24 1HD1 LEU 24 0.032 7.455 1.436 192 2HD1 LEU 24 2HD1 LEU 24 1.290 6.504 0.612 193 3HD1 LEU 24 3HD1 LEU 24 -0.318 5.796 0.895 194 1HD2 LEU 24 1HD2 LEU 24 -0.647 7.157 3.450 195 2HD2 LEU 24 2HD2 LEU 24 -0.570 5.524 4.154 196 3HD2 LEU 24 3HD2 LEU 24 0.634 6.750 4.617 197 H ILE 25 H ILE 25 3.194 2.136 1.986 198 HA ILE 25 HA ILE 25 1.711 -0.170 2.643 199 HB ILE 25 HB ILE 25 3.959 0.569 0.887 200 1HG1 ILE 25 1HG1 ILE 25 1.560 -1.251 0.528 201 2HG1 ILE 25 2HG1 ILE 25 1.591 0.463 0.163 202 1HG2 ILE 25 1HG2 ILE 25 3.571 -2.324 1.698 203 2HG2 ILE 25 2HG2 ILE 25 4.682 -1.696 0.457 204 3HG2 ILE 25 3HG2 ILE 25 4.947 -1.300 2.172 205 1HD1 ILE 25 1HD1 ILE 25 3.338 -1.684 -1.126 206 2HD1 ILE 25 2HD1 ILE 25 1.992 -0.808 -1.893 207 3HD1 ILE 25 3HD1 ILE 25 3.481 0.061 -1.450 208 H LYS 26 H LYS 26 4.985 1.051 3.566 209 HA LYS 26 HA LYS 26 5.676 -1.206 5.073 210 1HB LYS 26 1HB LYS 26 7.088 0.805 4.150 211 2HB LYS 26 2HB LYS 26 6.704 1.551 5.688 212 1HG LYS 26 1HG LYS 26 7.455 -0.868 6.628 213 2HG LYS 26 2HG LYS 26 8.356 -0.904 5.125 214 1HD LYS 26 1HD LYS 26 9.093 1.557 5.863 215 2HD LYS 26 2HD LYS 26 8.639 0.998 7.460 216 1HE LYS 26 1HE LYS 26 10.528 -0.257 7.646 217 2HE LYS 26 2HE LYS 26 10.233 -1.044 6.109 218 1HZ LYS 26 1HZ LYS 26 12.246 0.546 6.466 219 2HZ LYS 26 2HZ LYS 26 11.489 0.463 5.021 220 3HZ LYS 26 3HZ LYS 26 11.166 1.696 6.042 221 H GLU 27 H GLU 27 3.532 1.521 5.666 222 HA GLU 27 HA GLU 27 3.623 1.520 8.426 223 1HB GLU 27 1HB GLU 27 2.273 2.933 6.458 224 2HB GLU 27 2HB GLU 27 0.964 2.055 7.225 225 1HG GLU 27 1HG GLU 27 2.135 2.873 9.480 226 2HG GLU 27 2HG GLU 27 2.849 4.087 8.438 227 H ILE 28 H ILE 28 1.755 -0.465 6.081 228 HA ILE 28 HA ILE 28 0.118 -1.681 8.035 229 HB ILE 28 HB ILE 28 0.763 -2.103 5.160 230 1HG1 ILE 28 1HG1 ILE 28 -1.953 -2.252 5.499 231 2HG1 ILE 28 2HG1 ILE 28 -1.500 -1.202 6.828 232 1HG2 ILE 28 1HG2 ILE 28 0.859 -4.362 5.759 233 2HG2 ILE 28 2HG2 ILE 28 -0.427 -4.193 6.978 234 3HG2 ILE 28 3HG2 ILE 28 -0.827 -4.113 5.245 235 1HD1 ILE 28 1HD1 ILE 28 -0.841 -0.802 3.876 236 2HD1 ILE 28 2HD1 ILE 28 -1.914 0.196 4.887 237 3HD1 ILE 28 3HD1 ILE 28 -0.158 0.196 5.182 238 H VAL 29 H VAL 29 3.292 -2.478 6.538 239 HA VAL 29 HA VAL 29 3.439 -4.967 7.961 240 HB VAL 29 HB VAL 29 5.823 -3.696 6.722 241 1HG1 VAL 29 1HG1 VAL 29 5.847 -5.999 7.653 242 2HG1 VAL 29 2HG1 VAL 29 4.611 -6.468 6.461 243 3HG1 VAL 29 3HG1 VAL 29 6.225 -5.951 5.915 244 1HG2 VAL 29 1HG2 VAL 29 4.737 -4.725 4.485 245 2HG2 VAL 29 2HG2 VAL 29 3.254 -4.159 5.290 246 3HG2 VAL 29 3HG2 VAL 29 4.572 -3.014 4.946 247 H GLU 30 H GLU 30 3.801 -1.681 8.771 248 HA GLU 30 HA GLU 30 6.022 -1.467 10.228 249 1HB GLU 30 1HB GLU 30 4.045 0.188 9.887 250 2HB GLU 30 2HB GLU 30 3.349 -0.528 11.327 251 1HG GLU 30 1HG GLU 30 5.883 -0.072 12.241 252 2HG GLU 30 2HG GLU 30 5.776 1.210 11.051 253 H ASN 31 H ASN 31 3.195 -3.483 10.939 254 HA ASN 31 HA ASN 31 4.696 -4.768 12.988 255 1HB ASN 31 1HB ASN 31 1.927 -3.817 13.804 256 2HB ASN 31 2HB ASN 31 3.237 -4.361 14.834 257 1HD2 ASN 31 1HD2 ASN 31 5.088 -3.026 15.118 258 2HD2 ASN 31 2HD2 ASN 31 4.990 -1.304 14.960 259 H GLU 32 H GLU 32 4.159 -6.040 10.753 260 HA GLU 32 HA GLU 32 1.581 -6.922 10.308 261 1HB GLU 32 1HB GLU 32 2.927 -8.913 9.180 262 2HB GLU 32 2HB GLU 32 2.983 -7.300 8.497 263 1HG GLU 32 1HG GLU 32 5.157 -6.875 9.312 264 2HG GLU 32 2HG GLU 32 5.018 -8.049 10.605 265 H ASP 33 H ASP 33 0.694 -9.161 10.616 266 HA ASP 33 HA ASP 33 1.193 -9.956 13.311 267 1HB ASP 33 1HB ASP 33 -1.046 -9.904 11.732 268 2HB ASP 33 2HB ASP 33 -0.586 -11.582 11.528 269 H LYS 34 H LYS 34 1.469 -12.398 13.801 270 HA LYS 34 HA LYS 34 3.665 -13.398 12.352 271 1HB LYS 34 1HB LYS 34 3.646 -13.944 14.613 272 2HB LYS 34 2HB LYS 34 1.949 -14.381 14.613 273 1HG LYS 34 1HG LYS 34 2.374 -16.532 13.958 274 2HG LYS 34 2HG LYS 34 3.542 -16.034 12.749 275 1HD LYS 34 1HD LYS 34 4.849 -15.447 15.158 276 2HD LYS 34 2HD LYS 34 3.987 -16.926 15.532 277 1HE LYS 34 1HE LYS 34 5.047 -18.126 13.721 278 2HE LYS 34 2HE LYS 34 5.650 -16.650 12.995 279 1HZ LYS 34 1HZ LYS 34 6.599 -18.022 15.374 280 2HZ LYS 34 2HZ LYS 34 7.454 -17.402 14.129 281 3HZ LYS 34 3HZ LYS 34 6.823 -16.408 15.261 282 H ARG 35 H ARG 35 0.447 -15.002 12.875 283 HA ARG 35 HA ARG 35 0.868 -16.581 10.584 284 1HB ARG 35 1HB ARG 35 -0.849 -16.611 12.846 285 2HB ARG 35 2HB ARG 35 -1.930 -16.450 11.476 286 1HG ARG 35 1HG ARG 35 -1.508 -18.573 10.731 287 2HG ARG 35 2HG ARG 35 0.217 -18.430 11.006 288 1HD ARG 35 1HD ARG 35 -0.951 -18.457 13.603 289 2HD ARG 35 2HD ARG 35 -1.815 -19.683 12.696 290 HE ARG 35 HE ARG 35 0.934 -20.033 12.107 291 1HH1 ARG 35 1HH1 ARG 35 -1.188 -20.239 14.907 292 2HH1 ARG 35 2HH1 ARG 35 -0.222 -21.431 15.711 293 1HH2 ARG 35 1HH2 ARG 35 2.209 -21.605 13.169 294 2HH2 ARG 35 2HH2 ARG 35 1.723 -22.212 14.716 295 H LYS 36 H LYS 36 -0.064 -13.350 11.008 296 HA LYS 36 HA LYS 36 -1.356 -13.351 8.380 297 1HB LYS 36 1HB LYS 36 -2.386 -12.206 10.948 298 2HB LYS 36 2HB LYS 36 -2.677 -11.319 9.466 299 1HG LYS 36 1HG LYS 36 -3.940 -13.081 8.498 300 2HG LYS 36 2HG LYS 36 -3.245 -14.295 9.554 301 1HD LYS 36 1HD LYS 36 -4.437 -12.585 11.387 302 2HD LYS 36 2HD LYS 36 -5.539 -12.463 10.030 303 1HE LYS 36 1HE LYS 36 -6.296 -14.615 10.283 304 2HE LYS 36 2HE LYS 36 -4.692 -15.249 10.593 305 1HZ LYS 36 1HZ LYS 36 -6.644 -14.264 12.455 306 2HZ LYS 36 2HZ LYS 36 -5.514 -15.428 12.646 307 3HZ LYS 36 3HZ LYS 36 -5.099 -13.855 12.791 308 HA PRO 37 HA PRO 37 2.154 -10.571 8.386 309 1HB PRO 37 1HB PRO 37 3.133 -11.282 5.936 310 2HB PRO 37 2HB PRO 37 3.668 -12.020 7.432 311 1HG PRO 37 1HG PRO 37 1.876 -13.126 5.357 312 2HG PRO 37 2HG PRO 37 2.750 -13.973 6.617 313 1HD PRO 37 1HD PRO 37 -0.050 -13.352 6.591 314 2HD PRO 37 2HD PRO 37 0.847 -14.096 7.901 315 H TYR 38 H TYR 38 2.943 -9.488 5.862 316 HA TYR 38 HA TYR 38 0.487 -8.391 4.798 317 1HB TYR 38 1HB TYR 38 2.633 -6.938 6.436 318 2HB TYR 38 2HB TYR 38 1.714 -6.049 5.237 319 HD1 TYR 38 HD1 TYR 38 -0.964 -7.493 5.668 320 HD2 TYR 38 HD2 TYR 38 1.875 -5.820 8.397 321 HE1 TYR 38 HE1 TYR 38 -2.813 -7.114 7.371 322 HE2 TYR 38 HE2 TYR 38 0.016 -5.447 10.091 323 HH TYR 38 HH TYR 38 -2.116 -6.245 10.624 324 H SER 39 H SER 39 1.890 -9.996 3.276 325 HA SER 39 HA SER 39 4.133 -8.752 2.093 326 1HB SER 39 1HB SER 39 2.503 -10.984 0.837 327 2HB SER 39 2HB SER 39 4.219 -10.672 0.669 328 HG SER 39 HG SER 39 2.893 -12.159 2.579 329 H ASP 40 H ASP 40 4.124 -8.513 -0.470 330 HA ASP 40 HA ASP 40 2.705 -6.377 -1.152 331 1HB ASP 40 1HB ASP 40 3.107 -6.985 -3.509 332 2HB ASP 40 2HB ASP 40 4.508 -7.375 -2.530 333 H GLN 41 H GLN 41 1.678 -9.806 -1.182 334 HA GLN 41 HA GLN 41 -0.598 -9.467 -2.749 335 1HB GLN 41 1HB GLN 41 -0.274 -11.709 -2.594 336 2HB GLN 41 2HB GLN 41 0.621 -11.564 -1.095 337 1HG GLN 41 1HG GLN 41 -1.430 -12.855 -0.696 338 2HG GLN 41 2HG GLN 41 -1.525 -11.334 0.169 339 1HE2 GLN 41 1HE2 GLN 41 -3.836 -12.195 0.013 340 2HE2 GLN 41 2HE2 GLN 41 -4.810 -11.589 -1.284 341 H GLU 42 H GLU 42 -0.163 -9.639 0.857 342 HA GLU 42 HA GLU 42 -2.828 -9.188 1.435 343 1HB GLU 42 1HB GLU 42 -0.532 -9.750 2.876 344 2HB GLU 42 2HB GLU 42 -0.870 -8.109 3.389 345 1HG GLU 42 1HG GLU 42 -3.238 -9.936 3.283 346 2HG GLU 42 2HG GLU 42 -2.041 -10.325 4.502 347 H ILE 43 H ILE 43 -0.067 -6.837 1.804 348 HA ILE 43 HA ILE 43 -1.475 -4.599 2.307 349 HB ILE 43 HB ILE 43 1.129 -5.268 1.207 350 1HG1 ILE 43 1HG1 ILE 43 0.635 -2.776 2.753 351 2HG1 ILE 43 2HG1 ILE 43 0.184 -4.277 3.535 352 1HG2 ILE 43 1HG2 ILE 43 0.236 -3.864 -0.664 353 2HG2 ILE 43 2HG2 ILE 43 0.059 -2.527 0.498 354 3HG2 ILE 43 3HG2 ILE 43 1.671 -3.195 0.149 355 1HD1 ILE 43 1HD1 ILE 43 2.836 -4.313 2.165 356 2HD1 ILE 43 2HD1 ILE 43 2.714 -3.252 3.588 357 3HD1 ILE 43 3HD1 ILE 43 2.360 -4.990 3.741 358 H ALA 44 H ALA 44 -0.812 -6.019 -0.956 359 HA ALA 44 HA ALA 44 -2.038 -4.026 -2.437 360 1HB ALA 44 1HB ALA 44 -1.691 -7.012 -2.896 361 2HB ALA 44 2HB ALA 44 -2.286 -5.887 -4.141 362 3HB ALA 44 3HB ALA 44 -0.646 -5.693 -3.477 363 H ASN 45 H ASN 45 -3.384 -6.950 -0.810 364 HA ASN 45 HA ASN 45 -5.930 -6.680 -1.878 365 1HB ASN 45 1HB ASN 45 -4.684 -8.101 0.470 366 2HB ASN 45 2HB ASN 45 -6.426 -7.919 0.506 367 1HD2 ASN 45 1HD2 ASN 45 -3.770 -8.848 -1.667 368 2HD2 ASN 45 2HD2 ASN 45 -4.589 -10.139 -2.481 369 H ILE 46 H ILE 46 -4.260 -5.363 1.028 370 HA ILE 46 HA ILE 46 -6.517 -4.352 2.327 371 HB ILE 46 HB ILE 46 -3.578 -3.776 2.402 372 1HG1 ILE 46 1HG1 ILE 46 -5.529 -4.895 4.436 373 2HG1 ILE 46 2HG1 ILE 46 -4.441 -5.838 3.438 374 1HG2 ILE 46 1HG2 ILE 46 -3.857 -1.755 3.268 375 2HG2 ILE 46 2HG2 ILE 46 -5.626 -1.906 3.142 376 3HG2 ILE 46 3HG2 ILE 46 -4.785 -2.479 4.603 377 1HD1 ILE 46 1HD1 ILE 46 -2.527 -5.121 4.586 378 2HD1 ILE 46 2HD1 ILE 46 -3.293 -3.606 5.121 379 3HD1 ILE 46 3HD1 ILE 46 -3.730 -5.147 5.897 380 H LEU 47 H LEU 47 -4.191 -2.813 0.009 381 HA LEU 47 HA LEU 47 -5.408 -0.322 -0.011 382 1HB LEU 47 1HB LEU 47 -3.812 -1.778 -2.120 383 2HB LEU 47 2HB LEU 47 -4.276 -0.092 -2.234 384 HG LEU 47 HG LEU 47 -2.564 0.560 -0.972 385 1HD1 LEU 47 1HD1 LEU 47 -2.122 -0.204 1.270 386 2HD1 LEU 47 2HD1 LEU 47 -3.881 -0.070 1.035 387 3HD1 LEU 47 3HD1 LEU 47 -3.099 -1.669 1.009 388 1HD2 LEU 47 1HD2 LEU 47 -0.653 -0.714 -1.081 389 2HD2 LEU 47 2HD2 LEU 47 -1.502 -2.228 -0.684 390 3HD2 LEU 47 3HD2 LEU 47 -1.669 -1.512 -2.306 391 H LYS 48 H LYS 48 -6.289 -3.393 -1.548 392 HA LYS 48 HA LYS 48 -7.938 -2.426 -3.552 393 1HB LYS 48 1HB LYS 48 -7.097 -4.848 -2.876 394 2HB LYS 48 2HB LYS 48 -8.644 -4.925 -2.058 395 1HG LYS 48 1HG LYS 48 -9.847 -4.432 -4.133 396 2HG LYS 48 2HG LYS 48 -8.351 -4.093 -4.980 397 1HD LYS 48 1HD LYS 48 -7.747 -6.352 -5.125 398 2HD LYS 48 2HD LYS 48 -8.626 -6.795 -3.676 399 1HE LYS 48 1HE LYS 48 -10.790 -6.242 -5.012 400 2HE LYS 48 2HE LYS 48 -9.771 -6.216 -6.438 401 1HZ LYS 48 1HZ LYS 48 -9.575 -8.499 -4.656 402 2HZ LYS 48 2HZ LYS 48 -10.876 -8.395 -5.638 403 3HZ LYS 48 3HZ LYS 48 -9.373 -8.429 -6.275 404 H GLU 49 H GLU 49 -8.230 -2.221 -0.102 405 HA GLU 49 HA GLU 49 -11.005 -2.260 0.085 406 1HB GLU 49 1HB GLU 49 -10.692 -1.435 2.304 407 2HB GLU 49 2HB GLU 49 -9.285 -2.426 1.973 408 1HG GLU 49 1HG GLU 49 -7.991 -0.642 2.506 409 2HG GLU 49 2HG GLU 49 -8.548 0.131 1.036 410 H LYS 50 H LYS 50 -9.362 -0.368 -1.939 411 HA LYS 50 HA LYS 50 -9.836 1.502 -3.017 412 1HB LYS 50 1HB LYS 50 -12.148 0.936 -3.031 413 2HB LYS 50 2HB LYS 50 -12.354 1.379 -1.348 414 1HG LYS 50 1HG LYS 50 -11.252 3.633 -2.846 415 2HG LYS 50 2HG LYS 50 -12.707 3.048 -3.628 416 1HD LYS 50 1HD LYS 50 -13.994 3.273 -1.553 417 2HD LYS 50 2HD LYS 50 -12.546 3.646 -0.639 418 1HE LYS 50 1HE LYS 50 -13.554 5.770 -1.050 419 2HE LYS 50 2HE LYS 50 -12.239 5.681 -2.206 420 1HZ LYS 50 1HZ LYS 50 -14.018 6.311 -3.472 421 2HZ LYS 50 2HZ LYS 50 -14.025 4.698 -3.724 422 3HZ LYS 50 3HZ LYS 50 -15.095 5.367 -2.688 423 H GLY 51 H GLY 51 -7.902 1.601 -1.094 424 1HA GLY 51 1HA GLY 51 -8.442 4.088 0.404 425 2HA GLY 51 2HA GLY 51 -7.250 2.873 0.822 426 H PHE 52 H PHE 52 -5.272 2.679 -0.436 427 HA PHE 52 HA PHE 52 -4.424 5.210 -1.450 428 1HB PHE 52 1HB PHE 52 -3.174 2.397 -1.356 429 2HB PHE 52 2HB PHE 52 -2.274 3.850 -1.746 430 HD1 PHE 52 HD1 PHE 52 -2.241 1.661 0.644 431 HD2 PHE 52 HD2 PHE 52 -3.336 5.744 0.269 432 HE1 PHE 52 HE1 PHE 52 -1.756 2.015 3.081 433 HE2 PHE 52 HE2 PHE 52 -2.851 6.097 2.706 434 HZ PHE 52 HZ PHE 52 -2.067 4.229 4.083 435 H LYS 53 H LYS 53 -5.183 1.954 -2.798 436 HA LYS 53 HA LYS 53 -5.873 1.452 -4.867 437 1HB LYS 53 1HB LYS 53 -6.198 4.191 -4.938 438 2HB LYS 53 2HB LYS 53 -5.092 3.916 -6.269 439 1HG LYS 53 1HG LYS 53 -7.543 2.155 -5.941 440 2HG LYS 53 2HG LYS 53 -7.690 3.732 -6.689 441 1HD LYS 53 1HD LYS 53 -5.485 2.725 -8.020 442 2HD LYS 53 2HD LYS 53 -6.394 1.257 -7.726 443 1HE LYS 53 1HE LYS 53 -7.500 1.849 -9.649 444 2HE LYS 53 2HE LYS 53 -8.426 2.881 -8.577 445 1HZ LYS 53 1HZ LYS 53 -7.317 3.898 -10.610 446 2HZ LYS 53 2HZ LYS 53 -7.214 4.712 -9.198 447 3HZ LYS 53 3HZ LYS 53 -5.934 3.855 -9.742 448 H VAL 54 H VAL 54 -4.142 -0.081 -4.734 449 HA VAL 54 HA VAL 54 -1.843 0.721 -6.377 450 HB VAL 54 HB VAL 54 -1.576 -1.354 -4.247 451 1HG1 VAL 54 1HG1 VAL 54 0.415 0.769 -5.051 452 2HG1 VAL 54 2HG1 VAL 54 0.708 -0.835 -4.337 453 3HG1 VAL 54 3HG1 VAL 54 0.178 -0.698 -6.031 454 1HG2 VAL 54 1HG2 VAL 54 -1.635 1.636 -3.755 455 2HG2 VAL 54 2HG2 VAL 54 -2.588 0.368 -2.947 456 3HG2 VAL 54 3HG2 VAL 54 -0.835 0.481 -2.662 457 H ALA 55 H ALA 55 -0.900 -2.176 -6.015 458 HA ALA 55 HA ALA 55 -2.841 -3.922 -6.959 459 1HB ALA 55 1HB ALA 55 -2.414 -2.084 -8.901 460 2HB ALA 55 2HB ALA 55 -1.115 -3.236 -9.294 461 3HB ALA 55 3HB ALA 55 -2.808 -3.786 -9.244 462 H ARG 56 H ARG 56 -2.014 -5.995 -6.833 463 HA ARG 56 HA ARG 56 0.100 -6.610 -5.479 464 1HB ARG 56 1HB ARG 56 -1.438 -7.963 -7.573 465 2HB ARG 56 2HB ARG 56 0.220 -8.530 -7.586 466 1HG ARG 56 1HG ARG 56 -0.237 -8.553 -4.891 467 2HG ARG 56 2HG ARG 56 -1.873 -8.823 -5.460 468 1HD ARG 56 1HD ARG 56 0.493 -10.457 -6.483 469 2HD ARG 56 2HD ARG 56 -0.427 -10.930 -5.069 470 HE ARG 56 HE ARG 56 -2.179 -10.372 -7.317 471 1HH1 ARG 56 1HH1 ARG 56 -0.036 -12.812 -5.962 472 2HH1 ARG 56 2HH1 ARG 56 -0.837 -14.134 -6.745 473 1HH2 ARG 56 1HH2 ARG 56 -3.236 -12.116 -8.350 474 2HH2 ARG 56 2HH2 ARG 56 -2.669 -13.735 -8.112 475 H ARG 57 H ARG 57 0.155 -5.733 -8.970 476 HA ARG 57 HA ARG 57 2.766 -6.423 -9.470 477 1HB ARG 57 1HB ARG 57 0.636 -5.088 -10.824 478 2HB ARG 57 2HB ARG 57 1.999 -3.990 -10.906 479 1HG ARG 57 1HG ARG 57 2.517 -6.899 -11.500 480 2HG ARG 57 2HG ARG 57 1.649 -5.969 -12.705 481 1HD ARG 57 1HD ARG 57 3.491 -4.283 -12.750 482 2HD ARG 57 2HD ARG 57 4.354 -5.179 -11.516 483 HE ARG 57 HE ARG 57 5.006 -6.758 -13.129 484 1HH1 ARG 57 1HH1 ARG 57 2.430 -4.742 -14.427 485 2HH1 ARG 57 2HH1 ARG 57 2.586 -5.358 -16.038 486 1HH2 ARG 57 1HH2 ARG 57 5.213 -7.570 -15.255 487 2HH2 ARG 57 2HH2 ARG 57 4.180 -6.977 -16.513 488 H THR 58 H THR 58 1.385 -3.125 -8.740 489 HA THR 58 HA THR 58 3.873 -1.866 -8.474 490 HB THR 58 HB THR 58 0.983 -1.319 -7.850 491 HG1 THR 58 HG1 THR 58 3.301 0.040 -9.037 492 1HG2 THR 58 1HG2 THR 58 3.228 0.531 -6.909 493 2HG2 THR 58 2HG2 THR 58 1.476 0.769 -6.709 494 3HG2 THR 58 3HG2 THR 58 2.311 -0.508 -5.793 495 H VAL 59 H VAL 59 1.772 -3.543 -6.087 496 HA VAL 59 HA VAL 59 3.267 -2.773 -3.846 497 HB VAL 59 HB VAL 59 1.762 -5.363 -4.102 498 1HG1 VAL 59 1HG1 VAL 59 1.741 -3.367 -1.829 499 2HG1 VAL 59 2HG1 VAL 59 1.277 -5.085 -1.808 500 3HG1 VAL 59 3HG1 VAL 59 2.989 -4.628 -1.977 501 1HG2 VAL 59 1HG2 VAL 59 -0.063 -3.381 -3.268 502 2HG2 VAL 59 2HG2 VAL 59 0.737 -2.731 -4.720 503 3HG2 VAL 59 3HG2 VAL 59 -0.082 -4.310 -4.787 504 H ALA 60 H ALA 60 3.521 -5.517 -6.160 505 HA ALA 60 HA ALA 60 5.394 -7.012 -4.781 506 1HB ALA 60 1HB ALA 60 4.961 -6.597 -7.766 507 2HB ALA 60 2HB ALA 60 5.948 -7.898 -7.057 508 3HB ALA 60 3HB ALA 60 4.198 -7.833 -6.737 509 H LYS 61 H LYS 61 5.773 -4.172 -6.969 510 HA LYS 61 HA LYS 61 8.576 -4.275 -7.053 511 1HB LYS 61 1HB LYS 61 6.713 -2.933 -8.432 512 2HB LYS 61 2HB LYS 61 7.139 -1.669 -7.296 513 1HG LYS 61 1HG LYS 61 9.626 -2.247 -7.898 514 2HG LYS 61 2HG LYS 61 8.952 -3.100 -9.273 515 1HD LYS 61 1HD LYS 61 8.216 -1.148 -10.314 516 2HD LYS 61 2HD LYS 61 7.947 -0.308 -8.800 517 1HE LYS 61 1HE LYS 61 10.352 0.042 -8.485 518 2HE LYS 61 2HE LYS 61 10.732 -0.987 -9.851 519 1HZ LYS 61 1HZ LYS 61 9.048 1.376 -10.192 520 2HZ LYS 61 2HZ LYS 61 10.676 1.498 -10.212 521 3HZ LYS 61 3HZ LYS 61 9.913 0.572 -11.320 522 H TYR 62 H TYR 62 6.226 -2.647 -4.857 523 HA TYR 62 HA TYR 62 8.153 -1.213 -3.407 524 1HB TYR 62 1HB TYR 62 5.316 -2.284 -3.081 525 2HB TYR 62 2HB TYR 62 6.090 -1.601 -1.665 526 HD1 TYR 62 HD1 TYR 62 7.423 0.760 -2.401 527 HD2 TYR 62 HD2 TYR 62 3.835 -0.833 -4.103 528 HE1 TYR 62 HE1 TYR 62 6.740 3.088 -3.158 529 HE2 TYR 62 HE2 TYR 62 3.165 1.501 -4.855 530 HH TYR 62 HH TYR 62 4.871 4.304 -3.769 531 H ARG 63 H ARG 63 6.750 -4.512 -3.035 532 HA ARG 63 HA ARG 63 7.623 -5.072 -0.545 533 1HB ARG 63 1HB ARG 63 6.354 -6.495 -2.457 534 2HB ARG 63 2HB ARG 63 7.946 -7.195 -2.671 535 1HG ARG 63 1HG ARG 63 6.926 -6.960 0.150 536 2HG ARG 63 2HG ARG 63 6.165 -8.161 -0.874 537 1HD ARG 63 1HD ARG 63 8.709 -8.783 -1.473 538 2HD ARG 63 2HD ARG 63 9.032 -8.013 0.068 539 HE ARG 63 HE ARG 63 8.188 -9.918 1.100 540 1HH1 ARG 63 1HH1 ARG 63 6.676 -9.615 -2.063 541 2HH1 ARG 63 2HH1 ARG 63 5.765 -11.081 -1.910 542 1HH2 ARG 63 1HH2 ARG 63 6.986 -11.852 1.303 543 2HH2 ARG 63 2HH2 ARG 63 5.943 -12.361 0.018 544 H GLU 64 H GLU 64 9.431 -5.200 -3.664 545 HA GLU 64 HA GLU 64 11.723 -6.358 -2.527 546 1HB GLU 64 1HB GLU 64 10.983 -6.298 -5.008 547 2HB GLU 64 2HB GLU 64 11.643 -4.675 -5.059 548 1HG GLU 64 1HG GLU 64 13.208 -6.632 -5.758 549 2HG GLU 64 2HG GLU 64 13.863 -5.417 -4.679 550 H MET 65 H MET 65 10.598 -3.003 -3.120 551 HA MET 65 HA MET 65 13.059 -1.803 -2.559 552 1HB MET 65 1HB MET 65 10.162 -0.807 -2.393 553 2HB MET 65 2HB MET 65 11.544 0.257 -2.217 554 1HG MET 65 1HG MET 65 12.352 -0.540 -4.508 555 2HG MET 65 2HG MET 65 10.841 -1.411 -4.678 556 1HE MET 65 1HE MET 65 9.565 -0.656 -6.237 557 2HE MET 65 2HE MET 65 8.343 0.026 -5.138 558 3HE MET 65 3HE MET 65 8.919 0.976 -6.529 559 H LEU 66 H LEU 66 10.345 -2.936 -0.545 560 HA LEU 66 HA LEU 66 11.278 -1.551 1.787 561 1HB LEU 66 1HB LEU 66 9.029 -3.352 1.064 562 2HB LEU 66 2HB LEU 66 9.520 -3.328 2.746 563 HG LEU 66 HG LEU 66 9.119 -0.933 2.887 564 1HD1 LEU 66 1HD1 LEU 66 9.422 0.264 1.028 565 2HD1 LEU 66 2HD1 LEU 66 9.098 -1.127 -0.034 566 3HD1 LEU 66 3HD1 LEU 66 7.745 -0.174 0.622 567 1HD2 LEU 66 1HD2 LEU 66 7.253 -2.719 3.078 568 2HD2 LEU 66 2HD2 LEU 66 6.800 -1.001 2.971 569 3HD2 LEU 66 3HD2 LEU 66 6.672 -2.046 1.536 570 H GLY 67 H GLY 67 10.860 -5.084 1.023 571 1HA GLY 67 1HA GLY 67 13.470 -5.573 2.286 572 2HA GLY 67 2HA GLY 67 12.052 -6.391 2.913 Start of MODEL 18 1 1H THR 1 1H THR 1 -0.174 14.739 29.989 2 HA THR 1 HA THR 1 -0.487 14.111 27.870 3 HB THR 1 HB THR 1 1.071 15.805 27.100 4 HG1 THR 1 HG1 THR 1 1.241 14.569 25.274 5 1HG2 THR 1 1HG2 THR 1 3.205 13.846 28.080 6 2HG2 THR 1 2HG2 THR 1 3.559 15.145 26.916 7 3HG2 THR 1 3HG2 THR 1 2.999 15.548 28.556 8 H TYR 2 H TYR 2 1.065 12.495 30.234 9 HA TYR 2 HA TYR 2 2.029 10.261 28.708 10 1HB TYR 2 1HB TYR 2 1.328 10.728 31.675 11 2HB TYR 2 2HB TYR 2 2.256 9.361 31.089 12 HD1 TYR 2 HD1 TYR 2 4.305 10.270 29.417 13 HD2 TYR 2 HD2 TYR 2 2.599 12.324 32.760 14 HE1 TYR 2 HE1 TYR 2 6.446 11.613 29.693 15 HE2 TYR 2 HE2 TYR 2 4.745 13.661 33.025 16 HH TYR 2 HH TYR 2 7.074 13.820 30.642 17 H SER 3 H SER 3 0.495 9.125 27.568 18 HA SER 3 HA SER 3 -1.706 8.120 29.186 19 1HB SER 3 1HB SER 3 -2.428 9.968 27.582 20 2HB SER 3 2HB SER 3 -1.959 8.922 26.256 21 HG SER 3 HG SER 3 -4.063 8.377 26.468 22 H LEU 4 H LEU 4 -2.776 6.138 27.919 23 HA LEU 4 HA LEU 4 -0.528 4.495 27.028 24 1HB LEU 4 1HB LEU 4 -1.870 2.604 27.641 25 2HB LEU 4 2HB LEU 4 -1.751 3.725 28.982 26 HG LEU 4 HG LEU 4 -4.144 3.925 27.198 27 1HD1 LEU 4 1HD1 LEU 4 -5.314 2.185 28.501 28 2HD1 LEU 4 2HD1 LEU 4 -3.981 1.530 27.520 29 3HD1 LEU 4 3HD1 LEU 4 -3.771 1.749 29.274 30 1HD2 LEU 4 1HD2 LEU 4 -4.666 3.991 30.022 31 2HD2 LEU 4 2HD2 LEU 4 -3.297 5.062 29.640 32 3HD2 LEU 4 3HD2 LEU 4 -4.854 5.276 28.805 33 H ARG 5 H ARG 5 -1.414 2.651 25.413 34 HA ARG 5 HA ARG 5 -3.445 3.282 23.690 35 1HB ARG 5 1HB ARG 5 -1.112 4.912 23.240 36 2HB ARG 5 2HB ARG 5 -1.206 3.775 21.910 37 1HG ARG 5 1HG ARG 5 -3.786 4.460 21.898 38 2HG ARG 5 2HG ARG 5 -3.211 5.880 22.748 39 1HD ARG 5 1HD ARG 5 -1.534 5.227 20.403 40 2HD ARG 5 2HD ARG 5 -3.207 5.512 19.965 41 HE ARG 5 HE ARG 5 -3.003 7.767 20.644 42 1HH1 ARG 5 1HH1 ARG 5 -0.159 5.936 21.615 43 2HH1 ARG 5 2HH1 ARG 5 0.759 7.342 22.039 44 1HH2 ARG 5 1HH2 ARG 5 -1.792 9.623 21.203 45 2HH2 ARG 5 2HH2 ARG 5 -0.176 9.453 21.803 46 H THR 6 H THR 6 -3.893 1.176 23.119 47 HA THR 6 HA THR 6 -1.740 -0.400 21.943 48 HB THR 6 HB THR 6 -3.273 -1.043 24.493 49 HG1 THR 6 HG1 THR 6 -0.563 -1.171 23.379 50 1HG2 THR 6 1HG2 THR 6 -3.618 -3.132 23.454 51 2HG2 THR 6 2HG2 THR 6 -2.217 -2.934 22.374 52 3HG2 THR 6 3HG2 THR 6 -1.968 -3.346 24.088 53 H PHE 7 H PHE 7 -4.417 1.085 21.293 54 HA PHE 7 HA PHE 7 -5.209 -0.769 19.334 55 1HB PHE 7 1HB PHE 7 -6.682 -0.543 21.974 56 2HB PHE 7 2HB PHE 7 -7.681 -0.633 20.537 57 HD1 PHE 7 HD1 PHE 7 -6.357 -2.543 23.051 58 HD2 PHE 7 HD2 PHE 7 -6.741 -2.567 18.825 59 HE1 PHE 7 HE1 PHE 7 -6.122 -5.042 23.044 60 HE2 PHE 7 HE2 PHE 7 -6.507 -5.066 18.818 61 HZ PHE 7 HZ PHE 7 -6.200 -6.274 20.928 62 H PHE 8 H PHE 8 -4.500 1.468 18.478 63 HA PHE 8 HA PHE 8 -6.787 2.816 17.602 64 1HB PHE 8 1HB PHE 8 -6.164 3.538 20.171 65 2HB PHE 8 2HB PHE 8 -5.022 4.575 19.339 66 HD1 PHE 8 HD1 PHE 8 -8.619 3.788 19.680 67 HD2 PHE 8 HD2 PHE 8 -5.735 6.564 18.273 68 HE1 PHE 8 HE1 PHE 8 -10.434 5.480 19.298 69 HE2 PHE 8 HE2 PHE 8 -7.550 8.256 17.891 70 HZ PHE 8 HZ PHE 8 -9.877 7.693 18.407 71 H VAL 9 H VAL 9 -4.947 1.743 16.042 72 HA VAL 9 HA VAL 9 -3.552 4.063 14.988 73 HB VAL 9 HB VAL 9 -2.165 1.434 15.547 74 1HG1 VAL 9 1HG1 VAL 9 -0.953 2.163 13.771 75 2HG1 VAL 9 2HG1 VAL 9 -1.467 3.855 13.971 76 3HG1 VAL 9 3HG1 VAL 9 -0.182 3.188 15.005 77 1HG2 VAL 9 1HG2 VAL 9 -0.804 2.747 17.165 78 2HG2 VAL 9 2HG2 VAL 9 -1.904 4.126 16.928 79 3HG2 VAL 9 3HG2 VAL 9 -2.515 2.612 17.637 80 H ARG 10 H ARG 10 -5.709 3.539 13.745 81 HA ARG 10 HA ARG 10 -5.491 1.277 12.036 82 1HB ARG 10 1HB ARG 10 -7.550 3.135 12.851 83 2HB ARG 10 2HB ARG 10 -7.473 3.169 11.101 84 1HG ARG 10 1HG ARG 10 -7.324 0.465 11.512 85 2HG ARG 10 2HG ARG 10 -8.252 0.926 12.925 86 1HD ARG 10 1HD ARG 10 -9.473 2.405 10.885 87 2HD ARG 10 2HD ARG 10 -9.057 0.907 10.076 88 HE ARG 10 HE ARG 10 -11.102 1.252 12.093 89 1HH1 ARG 10 1HH1 ARG 10 -8.730 -1.062 10.907 90 2HH1 ARG 10 2HH1 ARG 10 -9.609 -2.444 11.469 91 1HH2 ARG 10 1HH2 ARG 10 -12.262 -0.572 12.834 92 2HH2 ARG 10 2HH2 ARG 10 -11.632 -2.164 12.572 93 H GLU 11 H GLU 11 -5.661 4.888 11.548 94 HA GLU 11 HA GLU 11 -5.004 6.169 9.915 95 1HB GLU 11 1HB GLU 11 -2.742 4.541 10.686 96 2HB GLU 11 2HB GLU 11 -2.615 4.890 8.973 97 1HG GLU 11 1HG GLU 11 -2.959 6.933 11.216 98 2HG GLU 11 2HG GLU 11 -1.513 6.671 10.261 99 H SER 12 H SER 12 -6.653 5.861 8.365 100 HA SER 12 HA SER 12 -6.365 3.670 6.537 101 1HB SER 12 1HB SER 12 -8.446 5.815 7.015 102 2HB SER 12 2HB SER 12 -8.473 4.906 5.517 103 HG SER 12 HG SER 12 -8.223 3.404 7.920 104 H ALA 13 H ALA 13 -4.779 6.520 6.853 105 HA ALA 13 HA ALA 13 -3.845 8.021 5.501 106 1HB ALA 13 1HB ALA 13 -3.332 6.587 3.151 107 2HB ALA 13 2HB ALA 13 -2.292 6.664 4.593 108 3HB ALA 13 3HB ALA 13 -3.461 5.335 4.410 109 H GLU 14 H GLU 14 -3.830 8.556 2.778 110 HA GLU 14 HA GLU 14 -6.509 8.461 1.814 111 1HB GLU 14 1HB GLU 14 -5.759 10.676 3.429 112 2HB GLU 14 2HB GLU 14 -5.733 11.270 1.781 113 1HG GLU 14 1HG GLU 14 -8.066 9.853 1.699 114 2HG GLU 14 2HG GLU 14 -8.045 10.260 3.403 115 H GLY 15 H GLY 15 -6.154 10.747 -0.015 116 1HA GLY 15 1HA GLY 15 -4.674 9.452 -2.053 117 2HA GLY 15 2HA GLY 15 -5.372 11.058 -2.104 118 H LEU 16 H LEU 16 -2.721 9.388 -0.242 119 HA LEU 16 HA LEU 16 -1.193 11.771 -0.093 120 1HB LEU 16 1HB LEU 16 0.295 10.548 1.164 121 2HB LEU 16 2HB LEU 16 -1.244 9.780 1.500 122 HG LEU 16 HG LEU 16 0.761 8.724 -0.510 123 1HD1 LEU 16 1HD1 LEU 16 1.860 7.575 1.074 124 2HD1 LEU 16 2HD1 LEU 16 1.219 8.822 2.170 125 3HD1 LEU 16 3HD1 LEU 16 0.386 7.256 2.019 126 1HD2 LEU 16 1HD2 LEU 16 -1.899 7.792 0.490 127 2HD2 LEU 16 2HD2 LEU 16 -1.206 7.743 -1.149 128 3HD2 LEU 16 3HD2 LEU 16 -0.659 6.582 0.084 129 H THR 17 H THR 17 1.418 11.011 -0.735 130 HA THR 17 HA THR 17 1.259 11.168 -3.631 131 HB THR 17 HB THR 17 3.828 11.547 -3.183 132 HG1 THR 17 HG1 THR 17 4.057 12.159 -0.856 133 1HG2 THR 17 1HG2 THR 17 2.742 13.597 -3.602 134 2HG2 THR 17 2HG2 THR 17 1.544 13.336 -2.311 135 3HG2 THR 17 3HG2 THR 17 3.208 13.816 -1.898 136 H GLN 18 H GLN 18 2.617 9.856 -5.042 137 HA GLN 18 HA GLN 18 2.225 7.168 -4.516 138 1HB GLN 18 1HB GLN 18 3.506 6.787 -6.586 139 2HB GLN 18 2HB GLN 18 2.391 8.123 -6.793 140 1HG GLN 18 1HG GLN 18 4.164 9.763 -6.535 141 2HG GLN 18 2HG GLN 18 5.299 8.547 -5.983 142 1HE2 GLN 18 1HE2 GLN 18 5.710 10.324 -8.124 143 2HE2 GLN 18 2HE2 GLN 18 5.873 9.424 -9.595 144 H GLY 19 H GLY 19 4.982 9.358 -3.938 145 1HA GLY 19 1HA GLY 19 6.906 7.318 -3.433 146 2HA GLY 19 2HA GLY 19 7.019 9.019 -3.027 147 H GLU 20 H GLU 20 4.590 9.228 -1.426 148 HA GLU 20 HA GLU 20 5.664 8.364 1.007 149 1HB GLU 20 1HB GLU 20 3.187 9.779 0.092 150 2HB GLU 20 2HB GLU 20 3.108 9.023 1.671 151 1HG GLU 20 1HG GLU 20 5.596 10.593 1.118 152 2HG GLU 20 2HG GLU 20 4.121 11.532 1.234 153 H LEU 21 H LEU 21 3.415 6.958 -1.329 154 HA LEU 21 HA LEU 21 2.018 5.221 0.301 155 1HB LEU 21 1HB LEU 21 1.929 5.829 -2.271 156 2HB LEU 21 2HB LEU 21 2.897 4.377 -2.424 157 HG LEU 21 HG LEU 21 0.803 3.509 -2.707 158 1HD1 LEU 21 1HD1 LEU 21 0.037 2.420 -0.604 159 2HD1 LEU 21 2HD1 LEU 21 1.785 2.261 -0.903 160 3HD1 LEU 21 3HD1 LEU 21 1.190 3.434 0.296 161 1HD2 LEU 21 1HD2 LEU 21 -0.796 4.730 -0.617 162 2HD2 LEU 21 2HD2 LEU 21 -0.066 5.955 -1.683 163 3HD2 LEU 21 3HD2 LEU 21 -1.070 4.658 -2.374 164 H MET 22 H MET 22 5.316 4.989 -1.102 165 HA MET 22 HA MET 22 5.801 2.361 -0.601 166 1HB MET 22 1HB MET 22 7.611 4.828 -0.401 167 2HB MET 22 2HB MET 22 8.245 3.195 -0.348 168 1HG MET 22 1HG MET 22 6.649 3.053 -2.600 169 2HG MET 22 2HG MET 22 7.155 4.729 -2.664 170 1HE MET 22 1HE MET 22 10.065 1.442 -1.717 171 2HE MET 22 2HE MET 22 8.306 1.467 -1.447 172 3HE MET 22 3HE MET 22 8.962 0.866 -2.989 173 H LYS 23 H LYS 23 6.745 5.131 1.574 174 HA LYS 23 HA LYS 23 7.466 3.471 3.704 175 1HB LYS 23 1HB LYS 23 6.947 6.386 3.306 176 2HB LYS 23 2HB LYS 23 6.972 5.784 4.952 177 1HG LYS 23 1HG LYS 23 9.186 4.940 3.075 178 2HG LYS 23 2HG LYS 23 9.223 6.563 3.734 179 1HD LYS 23 1HD LYS 23 9.090 5.639 6.048 180 2HD LYS 23 2HD LYS 23 9.015 4.012 5.404 181 1HE LYS 23 1HE LYS 23 11.307 4.256 5.926 182 2HE LYS 23 2HE LYS 23 11.270 4.584 4.205 183 1HZ LYS 23 1HZ LYS 23 10.887 6.830 5.990 184 2HZ LYS 23 2HZ LYS 23 12.393 6.207 5.885 185 3HZ LYS 23 3HZ LYS 23 11.646 6.768 4.545 186 H LEU 24 H LEU 24 4.357 4.634 2.512 187 HA LEU 24 HA LEU 24 2.935 4.300 4.924 188 1HB LEU 24 1HB LEU 24 2.298 5.649 2.882 189 2HB LEU 24 2HB LEU 24 1.858 4.138 2.112 190 HG LEU 24 HG LEU 24 0.560 5.506 4.460 191 1HD1 LEU 24 1HD1 LEU 24 -1.221 4.351 2.519 192 2HD1 LEU 24 2HD1 LEU 24 -0.998 6.055 2.982 193 3HD1 LEU 24 3HD1 LEU 24 0.009 5.342 1.699 194 1HD2 LEU 24 1HD2 LEU 24 0.697 3.339 5.332 195 2HD2 LEU 24 2HD2 LEU 24 -0.912 3.407 4.572 196 3HD2 LEU 24 3HD2 LEU 24 0.429 2.580 3.744 197 H ILE 25 H ILE 25 3.685 2.158 2.125 198 HA ILE 25 HA ILE 25 2.059 0.038 2.940 199 HB ILE 25 HB ILE 25 4.164 0.556 0.983 200 1HG1 ILE 25 1HG1 ILE 25 1.782 -1.310 0.869 201 2HG1 ILE 25 2HG1 ILE 25 1.663 0.419 0.613 202 1HG2 ILE 25 1HG2 ILE 25 3.799 -2.305 1.905 203 2HG2 ILE 25 2HG2 ILE 25 4.837 -1.713 0.587 204 3HG2 ILE 25 3HG2 ILE 25 5.218 -1.297 2.275 205 1HD1 ILE 25 1HD1 ILE 25 3.765 -1.066 -0.948 206 2HD1 ILE 25 2HD1 ILE 25 2.064 -1.274 -1.428 207 3HD1 ILE 25 3HD1 ILE 25 2.794 0.350 -1.418 208 H LYS 26 H LYS 26 5.484 0.902 3.677 209 HA LYS 26 HA LYS 26 6.026 -1.437 5.126 210 1HB LYS 26 1HB LYS 26 7.725 0.099 4.162 211 2HB LYS 26 2HB LYS 26 7.299 1.306 5.358 212 1HG LYS 26 1HG LYS 26 8.119 -0.009 7.169 213 2HG LYS 26 2HG LYS 26 8.068 -1.494 6.240 214 1HD LYS 26 1HD LYS 26 10.184 -1.179 5.479 215 2HD LYS 26 2HD LYS 26 9.797 0.429 4.899 216 1HE LYS 26 1HE LYS 26 10.030 0.232 7.861 217 2HE LYS 26 2HE LYS 26 11.516 -0.122 7.002 218 1HZ LYS 26 1HZ LYS 26 9.904 2.319 6.812 219 2HZ LYS 26 2HZ LYS 26 11.440 2.176 7.347 220 3HZ LYS 26 3HZ LYS 26 11.107 1.977 5.761 221 H GLU 27 H GLU 27 4.435 1.648 5.933 222 HA GLU 27 HA GLU 27 4.614 1.471 8.668 223 1HB GLU 27 1HB GLU 27 3.179 3.033 6.709 224 2HB GLU 27 2HB GLU 27 2.055 2.578 7.974 225 1HG GLU 27 1HG GLU 27 3.073 4.650 8.676 226 2HG GLU 27 2HG GLU 27 3.758 3.392 9.686 227 H ILE 28 H ILE 28 2.366 -0.081 6.344 228 HA ILE 28 HA ILE 28 0.584 -1.050 8.307 229 HB ILE 28 HB ILE 28 1.084 -1.468 5.409 230 1HG1 ILE 28 1HG1 ILE 28 -1.602 -1.242 5.777 231 2HG1 ILE 28 2HG1 ILE 28 -1.021 -0.380 7.188 232 1HG2 ILE 28 1HG2 ILE 28 -0.767 -3.241 5.463 233 2HG2 ILE 28 2HG2 ILE 28 0.880 -3.743 5.915 234 3HG2 ILE 28 3HG2 ILE 28 -0.339 -3.452 7.178 235 1HD1 ILE 28 1HD1 ILE 28 -0.065 1.318 5.943 236 2HD1 ILE 28 2HD1 ILE 28 0.361 0.233 4.598 237 3HD1 ILE 28 3HD1 ILE 28 -1.312 0.812 4.778 238 H VAL 29 H VAL 29 3.593 -2.283 6.790 239 HA VAL 29 HA VAL 29 3.329 -4.826 8.103 240 HB VAL 29 HB VAL 29 5.885 -3.872 6.908 241 1HG1 VAL 29 1HG1 VAL 29 6.119 -6.085 7.401 242 2HG1 VAL 29 2HG1 VAL 29 4.378 -6.422 7.243 243 3HG1 VAL 29 3HG1 VAL 29 5.390 -6.261 5.787 244 1HG2 VAL 29 1HG2 VAL 29 4.689 -2.964 5.179 245 2HG2 VAL 29 2HG2 VAL 29 4.723 -4.661 4.641 246 3HG2 VAL 29 3HG2 VAL 29 3.277 -4.013 5.453 247 H GLU 30 H GLU 30 3.806 -1.822 9.311 248 HA GLU 30 HA GLU 30 6.162 -2.031 10.741 249 1HB GLU 30 1HB GLU 30 4.699 0.036 10.360 250 2HB GLU 30 2HB GLU 30 3.651 -0.556 11.633 251 1HG GLU 30 1HG GLU 30 6.273 -0.722 12.710 252 2HG GLU 30 2HG GLU 30 6.235 0.805 11.851 253 H ASN 31 H ASN 31 2.966 -3.462 11.216 254 HA ASN 31 HA ASN 31 4.055 -4.936 13.425 255 1HB ASN 31 1HB ASN 31 2.116 -4.473 14.907 256 2HB ASN 31 2HB ASN 31 2.949 -2.980 14.524 257 1HD2 ASN 31 1HD2 ASN 31 2.155 -1.861 12.493 258 2HD2 ASN 31 2HD2 ASN 31 0.441 -1.735 12.273 259 H GLU 32 H GLU 32 3.690 -6.059 11.011 260 HA GLU 32 HA GLU 32 1.100 -6.758 10.320 261 1HB GLU 32 1HB GLU 32 2.337 -8.685 9.084 262 2HB GLU 32 2HB GLU 32 2.720 -7.036 8.632 263 1HG GLU 32 1HG GLU 32 4.869 -7.194 9.398 264 2HG GLU 32 2HG GLU 32 4.383 -8.002 10.875 265 H ASP 33 H ASP 33 0.476 -9.278 10.189 266 HA ASP 33 HA ASP 33 0.330 -10.073 12.924 267 1HB ASP 33 1HB ASP 33 -1.341 -10.304 10.724 268 2HB ASP 33 2HB ASP 33 -0.674 -11.922 10.813 269 H LYS 34 H LYS 34 0.692 -12.548 13.414 270 HA LYS 34 HA LYS 34 3.329 -13.214 12.523 271 1HB LYS 34 1HB LYS 34 1.436 -14.112 14.626 272 2HB LYS 34 2HB LYS 34 2.547 -15.329 14.031 273 1HG LYS 34 1HG LYS 34 3.923 -12.770 14.447 274 2HG LYS 34 2HG LYS 34 3.111 -13.288 15.911 275 1HD LYS 34 1HD LYS 34 5.248 -14.321 16.048 276 2HD LYS 34 2HD LYS 34 4.190 -15.612 15.513 277 1HE LYS 34 1HE LYS 34 5.337 -14.019 13.282 278 2HE LYS 34 2HE LYS 34 6.546 -14.842 14.248 279 1HZ LYS 34 1HZ LYS 34 4.498 -16.632 13.855 280 2HZ LYS 34 2HZ LYS 34 4.765 -15.938 12.401 281 3HZ LYS 34 3HZ LYS 34 5.990 -16.673 13.192 282 H ARG 35 H ARG 35 0.200 -15.071 12.539 283 HA ARG 35 HA ARG 35 1.252 -16.684 10.429 284 1HB ARG 35 1HB ARG 35 -0.516 -17.152 12.514 285 2HB ARG 35 2HB ARG 35 -1.626 -16.971 11.170 286 1HG ARG 35 1HG ARG 35 -0.291 -18.676 9.875 287 2HG ARG 35 2HG ARG 35 0.751 -18.889 11.268 288 1HD ARG 35 1HD ARG 35 -0.976 -20.651 11.238 289 2HD ARG 35 2HD ARG 35 -1.205 -19.621 12.637 290 HE ARG 35 HE ARG 35 -2.959 -19.785 10.268 291 1HH1 ARG 35 1HH1 ARG 35 -2.123 -18.014 13.192 292 2HH1 ARG 35 2HH1 ARG 35 -3.655 -17.213 13.298 293 1HH2 ARG 35 1HH2 ARG 35 -4.980 -18.728 10.407 294 2HH2 ARG 35 2HH2 ARG 35 -5.291 -17.621 11.703 295 H LYS 36 H LYS 36 0.473 -13.678 10.164 296 HA LYS 36 HA LYS 36 -0.662 -13.920 7.575 297 1HB LYS 36 1HB LYS 36 -2.514 -13.706 9.727 298 2HB LYS 36 2HB LYS 36 -2.498 -12.159 8.906 299 1HG LYS 36 1HG LYS 36 -3.001 -13.183 6.764 300 2HG LYS 36 2HG LYS 36 -2.703 -14.794 7.388 301 1HD LYS 36 1HD LYS 36 -4.655 -14.582 8.920 302 2HD LYS 36 2HD LYS 36 -4.941 -12.950 8.351 303 1HE LYS 36 1HE LYS 36 -5.184 -13.924 5.986 304 2HE LYS 36 2HE LYS 36 -5.140 -15.518 6.713 305 1HZ LYS 36 1HZ LYS 36 -7.157 -15.225 7.636 306 2HZ LYS 36 2HZ LYS 36 -6.995 -13.614 7.848 307 3HZ LYS 36 3HZ LYS 36 -7.360 -14.211 6.372 308 HA PRO 37 HA PRO 37 2.005 -10.376 8.382 309 1HB PRO 37 1HB PRO 37 3.862 -10.884 6.443 310 2HB PRO 37 2HB PRO 37 4.046 -11.404 8.106 311 1HG PRO 37 1HG PRO 37 3.339 -13.012 5.729 312 2HG PRO 37 2HG PRO 37 3.937 -13.556 7.284 313 1HD PRO 37 1HD PRO 37 1.232 -13.699 6.340 314 2HD PRO 37 2HD PRO 37 1.810 -14.135 7.936 315 H TYR 38 H TYR 38 2.448 -8.413 7.173 316 HA TYR 38 HA TYR 38 0.343 -8.100 5.216 317 1HB TYR 38 1HB TYR 38 2.428 -6.394 6.681 318 2HB TYR 38 2HB TYR 38 1.502 -5.690 5.370 319 HD1 TYR 38 HD1 TYR 38 -1.195 -6.745 5.764 320 HD2 TYR 38 HD2 TYR 38 1.668 -5.454 8.669 321 HE1 TYR 38 HE1 TYR 38 -3.075 -6.207 7.389 322 HE2 TYR 38 HE2 TYR 38 -0.221 -4.921 10.284 323 HH TYR 38 HH TYR 38 -3.194 -6.099 10.030 324 H SER 39 H SER 39 1.735 -9.823 3.879 325 HA SER 39 HA SER 39 4.015 -8.735 2.613 326 1HB SER 39 1HB SER 39 2.392 -11.048 1.520 327 2HB SER 39 2HB SER 39 4.123 -10.795 1.432 328 HG SER 39 HG SER 39 2.796 -12.231 3.251 329 H ASP 40 H ASP 40 4.043 -8.768 0.036 330 HA ASP 40 HA ASP 40 2.776 -6.693 -0.929 331 1HB ASP 40 1HB ASP 40 2.797 -7.910 -3.212 332 2HB ASP 40 2HB ASP 40 4.324 -7.785 -2.361 333 H GLN 41 H GLN 41 1.412 -9.971 -0.452 334 HA GLN 41 HA GLN 41 -0.890 -9.606 -1.972 335 1HB GLN 41 1HB GLN 41 -0.485 -11.843 -1.484 336 2HB GLN 41 2HB GLN 41 0.026 -11.512 0.159 337 1HG GLN 41 1HG GLN 41 -2.087 -12.547 0.443 338 2HG GLN 41 2HG GLN 41 -2.447 -10.840 0.618 339 1HE2 GLN 41 1HE2 GLN 41 -4.610 -11.387 0.074 340 2HE2 GLN 41 2HE2 GLN 41 -5.105 -11.584 -1.574 341 H GLU 42 H GLU 42 -0.603 -9.715 1.659 342 HA GLU 42 HA GLU 42 -3.049 -8.848 2.275 343 1HB GLU 42 1HB GLU 42 -0.771 -9.342 3.686 344 2HB GLU 42 2HB GLU 42 -0.842 -7.601 3.865 345 1HG GLU 42 1HG GLU 42 -2.050 -8.809 5.702 346 2HG GLU 42 2HG GLU 42 -3.094 -7.716 4.815 347 H ILE 43 H ILE 43 -0.218 -6.557 2.210 348 HA ILE 43 HA ILE 43 -1.568 -4.232 2.362 349 HB ILE 43 HB ILE 43 1.013 -5.129 1.364 350 1HG1 ILE 43 1HG1 ILE 43 0.716 -2.430 2.510 351 2HG1 ILE 43 2HG1 ILE 43 0.038 -3.705 3.503 352 1HG2 ILE 43 1HG2 ILE 43 0.253 -4.021 -0.693 353 2HG2 ILE 43 2HG2 ILE 43 -0.089 -2.541 0.235 354 3HG2 ILE 43 3HG2 ILE 43 1.583 -3.135 0.091 355 1HD1 ILE 43 1HD1 ILE 43 2.808 -3.995 2.289 356 2HD1 ILE 43 2HD1 ILE 43 2.556 -3.126 3.822 357 3HD1 ILE 43 3HD1 ILE 43 2.117 -4.846 3.691 358 H ALA 44 H ALA 44 -0.940 -6.147 -0.645 359 HA ALA 44 HA ALA 44 -2.149 -4.368 -2.402 360 1HB ALA 44 1HB ALA 44 -0.771 -6.134 -3.237 361 2HB ALA 44 2HB ALA 44 -1.746 -7.379 -2.420 362 3HB ALA 44 3HB ALA 44 -2.420 -6.487 -3.806 363 H ASN 45 H ASN 45 -3.491 -6.951 -0.294 364 HA ASN 45 HA ASN 45 -6.034 -6.898 -1.423 365 1HB ASN 45 1HB ASN 45 -5.419 -7.532 1.501 366 2HB ASN 45 2HB ASN 45 -6.702 -8.205 0.515 367 1HD2 ASN 45 1HD2 ASN 45 -4.843 -8.321 -1.832 368 2HD2 ASN 45 2HD2 ASN 45 -3.865 -9.731 -1.598 369 H ILE 46 H ILE 46 -4.283 -4.852 0.868 370 HA ILE 46 HA ILE 46 -6.485 -3.746 2.216 371 HB ILE 46 HB ILE 46 -3.689 -2.728 1.713 372 1HG1 ILE 46 1HG1 ILE 46 -4.968 -4.259 3.988 373 2HG1 ILE 46 2HG1 ILE 46 -3.648 -4.772 2.956 374 1HG2 ILE 46 1HG2 ILE 46 -4.030 -1.063 3.372 375 2HG2 ILE 46 2HG2 ILE 46 -5.369 -0.916 2.208 376 3HG2 ILE 46 3HG2 ILE 46 -5.640 -1.700 3.783 377 1HD1 ILE 46 1HD1 ILE 46 -3.566 -2.427 4.911 378 2HD1 ILE 46 2HD1 ILE 46 -2.784 -4.009 5.138 379 3HD1 ILE 46 3HD1 ILE 46 -2.227 -2.918 3.846 380 H LEU 47 H LEU 47 -4.728 -2.875 -0.806 381 HA LEU 47 HA LEU 47 -5.979 -0.443 -1.248 382 1HB LEU 47 1HB LEU 47 -4.905 -0.456 -3.224 383 2HB LEU 47 2HB LEU 47 -3.996 -1.718 -2.416 384 HG LEU 47 HG LEU 47 -5.933 -3.219 -3.584 385 1HD1 LEU 47 1HD1 LEU 47 -5.818 -2.171 -6.040 386 2HD1 LEU 47 2HD1 LEU 47 -7.134 -1.810 -4.896 387 3HD1 LEU 47 3HD1 LEU 47 -5.789 -0.661 -5.097 388 1HD2 LEU 47 1HD2 LEU 47 -4.278 -3.883 -5.189 389 2HD2 LEU 47 2HD2 LEU 47 -3.399 -2.347 -4.996 390 3HD2 LEU 47 3HD2 LEU 47 -3.458 -3.515 -3.653 391 H LYS 48 H LYS 48 -7.051 -3.805 -1.830 392 HA LYS 48 HA LYS 48 -9.192 -3.254 -3.497 393 1HB LYS 48 1HB LYS 48 -8.590 -5.456 -1.528 394 2HB LYS 48 2HB LYS 48 -10.107 -5.423 -2.404 395 1HG LYS 48 1HG LYS 48 -7.682 -4.956 -4.082 396 2HG LYS 48 2HG LYS 48 -7.781 -6.551 -3.363 397 1HD LYS 48 1HD LYS 48 -10.394 -6.106 -4.289 398 2HD LYS 48 2HD LYS 48 -9.401 -5.370 -5.532 399 1HE LYS 48 1HE LYS 48 -9.033 -7.446 -6.372 400 2HE LYS 48 2HE LYS 48 -8.083 -7.801 -4.944 401 1HZ LYS 48 1HZ LYS 48 -10.986 -8.038 -4.838 402 2HZ LYS 48 2HZ LYS 48 -10.097 -9.242 -5.491 403 3HZ LYS 48 3HZ LYS 48 -9.861 -8.803 -3.935 404 H GLU 49 H GLU 49 -8.691 -2.612 -0.077 405 HA GLU 49 HA GLU 49 -11.368 -2.524 0.670 406 1HB GLU 49 1HB GLU 49 -8.936 -2.273 1.953 407 2HB GLU 49 2HB GLU 49 -9.529 -0.625 2.029 408 1HG GLU 49 1HG GLU 49 -11.714 -2.435 2.648 409 2HG GLU 49 2HG GLU 49 -10.332 -2.860 3.637 410 H LYS 50 H LYS 50 -10.016 -0.838 -1.778 411 HA LYS 50 HA LYS 50 -10.633 0.949 -2.922 412 1HB LYS 50 1HB LYS 50 -12.918 0.435 -2.630 413 2HB LYS 50 2HB LYS 50 -12.912 0.910 -0.944 414 1HG LYS 50 1HG LYS 50 -13.086 3.165 -1.427 415 2HG LYS 50 2HG LYS 50 -12.092 3.048 -2.865 416 1HD LYS 50 1HD LYS 50 -13.948 3.003 -4.161 417 2HD LYS 50 2HD LYS 50 -14.470 1.524 -3.379 418 1HE LYS 50 1HE LYS 50 -15.745 2.702 -1.727 419 2HE LYS 50 2HE LYS 50 -14.922 4.217 -2.042 420 1HZ LYS 50 1HZ LYS 50 -17.199 3.898 -3.029 421 2HZ LYS 50 2HZ LYS 50 -16.045 4.466 -4.036 422 3HZ LYS 50 3HZ LYS 50 -16.505 2.901 -4.121 423 H GLY 51 H GLY 51 -8.468 1.172 -1.252 424 1HA GLY 51 1HA GLY 51 -8.816 3.778 0.091 425 2HA GLY 51 2HA GLY 51 -7.579 2.590 0.448 426 H PHE 52 H PHE 52 -5.730 2.357 -0.939 427 HA PHE 52 HA PHE 52 -5.193 4.759 -2.445 428 1HB PHE 52 1HB PHE 52 -3.423 2.286 -2.156 429 2HB PHE 52 2HB PHE 52 -2.911 3.957 -2.273 430 HD1 PHE 52 HD1 PHE 52 -2.284 1.683 -0.175 431 HD2 PHE 52 HD2 PHE 52 -4.825 5.082 -0.179 432 HE1 PHE 52 HE1 PHE 52 -2.121 1.808 2.326 433 HE2 PHE 52 HE2 PHE 52 -4.661 5.207 2.323 434 HZ PHE 52 HZ PHE 52 -3.311 3.568 3.546 435 H LYS 53 H LYS 53 -3.535 4.075 -4.465 436 HA LYS 53 HA LYS 53 -5.198 2.312 -6.128 437 1HB LYS 53 1HB LYS 53 -3.881 4.952 -6.694 438 2HB LYS 53 2HB LYS 53 -4.097 3.802 -7.999 439 1HG LYS 53 1HG LYS 53 -6.326 4.232 -8.126 440 2HG LYS 53 2HG LYS 53 -6.541 3.982 -6.405 441 1HD LYS 53 1HD LYS 53 -6.459 6.226 -5.935 442 2HD LYS 53 2HD LYS 53 -5.137 6.514 -7.049 443 1HE LYS 53 1HE LYS 53 -6.761 6.368 -8.974 444 2HE LYS 53 2HE LYS 53 -8.071 6.157 -7.829 445 1HZ LYS 53 1HZ LYS 53 -7.884 8.294 -7.122 446 2HZ LYS 53 2HZ LYS 53 -6.303 8.440 -7.504 447 3HZ LYS 53 3HZ LYS 53 -7.435 8.492 -8.680 448 H VAL 54 H VAL 54 -3.629 0.768 -4.805 449 HA VAL 54 HA VAL 54 -1.010 0.677 -6.074 450 HB VAL 54 HB VAL 54 -1.901 -1.322 -4.060 451 1HG1 VAL 54 1HG1 VAL 54 0.637 0.320 -4.125 452 2HG1 VAL 54 2HG1 VAL 54 0.351 -1.263 -3.363 453 3HG1 VAL 54 3HG1 VAL 54 0.419 -1.128 -5.136 454 1HG2 VAL 54 1HG2 VAL 54 -1.127 0.537 -2.323 455 2HG2 VAL 54 2HG2 VAL 54 -1.787 1.627 -3.566 456 3HG2 VAL 54 3HG2 VAL 54 -2.826 0.382 -2.833 457 H ALA 55 H ALA 55 -0.926 -2.313 -5.614 458 HA ALA 55 HA ALA 55 -2.769 -3.806 -6.816 459 1HB ALA 55 1HB ALA 55 -1.371 -2.084 -8.851 460 2HB ALA 55 2HB ALA 55 -1.807 -3.754 -9.286 461 3HB ALA 55 3HB ALA 55 -3.071 -2.606 -8.781 462 H ARG 56 H ARG 56 -2.003 -5.932 -7.091 463 HA ARG 56 HA ARG 56 0.046 -6.794 -5.768 464 1HB ARG 56 1HB ARG 56 -0.848 -7.804 -8.510 465 2HB ARG 56 2HB ARG 56 0.247 -8.710 -7.485 466 1HG ARG 56 1HG ARG 56 -1.431 -9.391 -6.091 467 2HG ARG 56 2HG ARG 56 -2.141 -7.791 -6.015 468 1HD ARG 56 1HD ARG 56 -2.576 -8.788 -8.683 469 2HD ARG 56 2HD ARG 56 -3.013 -10.071 -7.572 470 HE ARG 56 HE ARG 56 -4.165 -7.767 -6.477 471 1HH1 ARG 56 1HH1 ARG 56 -4.383 -9.479 -9.544 472 2HH1 ARG 56 2HH1 ARG 56 -6.015 -8.986 -9.849 473 1HH2 ARG 56 1HH2 ARG 56 -6.319 -7.117 -6.879 474 2HH2 ARG 56 2HH2 ARG 56 -7.124 -7.633 -8.323 475 H ARG 57 H ARG 57 0.264 -5.640 -9.198 476 HA ARG 57 HA ARG 57 2.933 -6.216 -9.536 477 1HB ARG 57 1HB ARG 57 0.934 -5.212 -11.124 478 2HB ARG 57 2HB ARG 57 1.857 -3.746 -10.860 479 1HG ARG 57 1HG ARG 57 3.864 -5.596 -11.406 480 2HG ARG 57 2HG ARG 57 2.562 -6.162 -12.434 481 1HD ARG 57 1HD ARG 57 2.328 -3.633 -13.146 482 2HD ARG 57 2HD ARG 57 3.928 -3.447 -12.455 483 HE ARG 57 HE ARG 57 3.258 -4.817 -14.941 484 1HH1 ARG 57 1HH1 ARG 57 5.590 -4.681 -12.309 485 2HH1 ARG 57 2HH1 ARG 57 6.879 -5.361 -13.246 486 1HH2 ARG 57 1HH2 ARG 57 4.958 -5.713 -16.177 487 2HH2 ARG 57 2HH2 ARG 57 6.517 -5.952 -15.461 488 H THR 58 H THR 58 1.288 -3.110 -8.589 489 HA THR 58 HA THR 58 3.643 -1.632 -8.247 490 HB THR 58 HB THR 58 0.738 -1.447 -7.416 491 HG1 THR 58 HG1 THR 58 2.693 0.318 -8.708 492 1HG2 THR 58 1HG2 THR 58 1.088 0.600 -6.215 493 2HG2 THR 58 2HG2 THR 58 2.279 -0.520 -5.512 494 3HG2 THR 58 3HG2 THR 58 2.795 0.691 -6.711 495 H VAL 59 H VAL 59 1.692 -3.570 -5.904 496 HA VAL 59 HA VAL 59 3.206 -2.905 -3.669 497 HB VAL 59 HB VAL 59 1.942 -5.598 -4.061 498 1HG1 VAL 59 1HG1 VAL 59 1.921 -3.654 -1.728 499 2HG1 VAL 59 2HG1 VAL 59 1.286 -5.317 -1.737 500 3HG1 VAL 59 3HG1 VAL 59 3.035 -5.031 -1.908 501 1HG2 VAL 59 1HG2 VAL 59 0.638 -2.995 -4.429 502 2HG2 VAL 59 2HG2 VAL 59 0.066 -4.633 -4.829 503 3HG2 VAL 59 3HG2 VAL 59 -0.131 -3.999 -3.177 504 H ALA 60 H ALA 60 3.585 -5.505 -6.143 505 HA ALA 60 HA ALA 60 5.632 -6.898 -4.927 506 1HB ALA 60 1HB ALA 60 6.152 -7.644 -7.241 507 2HB ALA 60 2HB ALA 60 4.405 -7.673 -6.903 508 3HB ALA 60 3HB ALA 60 5.101 -6.355 -7.876 509 H LYS 61 H LYS 61 5.696 -3.918 -6.954 510 HA LYS 61 HA LYS 61 8.487 -3.780 -7.153 511 1HB LYS 61 1HB LYS 61 6.166 -2.026 -7.698 512 2HB LYS 61 2HB LYS 61 7.670 -1.187 -7.374 513 1HG LYS 61 1HG LYS 61 8.158 -3.472 -9.129 514 2HG LYS 61 2HG LYS 61 6.891 -2.463 -9.799 515 1HD LYS 61 1HD LYS 61 8.324 -0.726 -10.237 516 2HD LYS 61 2HD LYS 61 9.175 -0.910 -8.717 517 1HE LYS 61 1HE LYS 61 10.409 -2.880 -9.639 518 2HE LYS 61 2HE LYS 61 9.547 -2.716 -11.156 519 1HZ LYS 61 1HZ LYS 61 11.250 -0.625 -9.987 520 2HZ LYS 61 2HZ LYS 61 11.713 -1.648 -11.173 521 3HZ LYS 61 3HZ LYS 61 10.519 -0.567 -11.447 522 H TYR 62 H TYR 62 6.124 -2.456 -4.768 523 HA TYR 62 HA TYR 62 8.041 -1.017 -3.295 524 1HB TYR 62 1HB TYR 62 5.272 -2.258 -2.871 525 2HB TYR 62 2HB TYR 62 6.067 -1.463 -1.527 526 HD1 TYR 62 HD1 TYR 62 5.884 -0.539 -5.160 527 HD2 TYR 62 HD2 TYR 62 4.937 0.532 -1.127 528 HE1 TYR 62 HE1 TYR 62 4.998 1.707 -5.957 529 HE2 TYR 62 HE2 TYR 62 4.055 2.774 -1.938 530 HH TYR 62 HH TYR 62 3.689 3.442 -5.345 531 H ARG 63 H ARG 63 6.754 -4.377 -3.078 532 HA ARG 63 HA ARG 63 7.782 -5.006 -0.637 533 1HB ARG 63 1HB ARG 63 6.254 -6.396 -2.197 534 2HB ARG 63 2HB ARG 63 7.712 -6.919 -3.017 535 1HG ARG 63 1HG ARG 63 7.988 -7.193 -0.107 536 2HG ARG 63 2HG ARG 63 6.577 -8.055 -0.687 537 1HD ARG 63 1HD ARG 63 8.061 -9.128 -2.472 538 2HD ARG 63 2HD ARG 63 9.443 -8.381 -1.695 539 HE ARG 63 HE ARG 63 7.931 -10.683 -0.718 540 1HH1 ARG 63 1HH1 ARG 63 10.006 -8.008 0.241 541 2HH1 ARG 63 2HH1 ARG 63 10.548 -8.781 1.693 542 1HH2 ARG 63 1HH2 ARG 63 8.645 -11.703 1.197 543 2HH2 ARG 63 2HH2 ARG 63 9.768 -10.898 2.241 544 H GLU 64 H GLU 64 9.319 -5.032 -3.897 545 HA GLU 64 HA GLU 64 11.677 -6.273 -3.021 546 1HB GLU 64 1HB GLU 64 10.552 -5.355 -5.488 547 2HB GLU 64 2HB GLU 64 12.125 -4.596 -5.341 548 1HG GLU 64 1HG GLU 64 13.269 -6.600 -5.484 549 2HG GLU 64 2HG GLU 64 12.046 -7.489 -4.598 550 H MET 65 H MET 65 10.578 -2.869 -3.344 551 HA MET 65 HA MET 65 13.103 -1.750 -2.903 552 1HB MET 65 1HB MET 65 10.231 -0.742 -2.567 553 2HB MET 65 2HB MET 65 11.608 0.304 -2.285 554 1HG MET 65 1HG MET 65 12.399 -0.452 -4.680 555 2HG MET 65 2HG MET 65 10.750 -1.006 -4.891 556 1HE MET 65 1HE MET 65 8.756 1.981 -5.638 557 2HE MET 65 2HE MET 65 9.506 0.622 -6.509 558 3HE MET 65 3HE MET 65 8.721 0.346 -4.936 559 H LEU 66 H LEU 66 10.447 -2.825 -0.754 560 HA LEU 66 HA LEU 66 11.620 -1.625 1.565 561 1HB LEU 66 1HB LEU 66 9.207 -3.179 0.881 562 2HB LEU 66 2HB LEU 66 9.822 -3.432 2.503 563 HG LEU 66 HG LEU 66 9.327 -1.304 3.194 564 1HD1 LEU 66 1HD1 LEU 66 10.505 0.176 1.927 565 2HD1 LEU 66 2HD1 LEU 66 9.949 -0.519 0.385 566 3HD1 LEU 66 3HD1 LEU 66 8.867 0.534 1.328 567 1HD2 LEU 66 1HD2 LEU 66 7.329 -1.791 0.968 568 2HD2 LEU 66 2HD2 LEU 66 7.235 -2.387 2.642 569 3HD2 LEU 66 3HD2 LEU 66 7.117 -0.642 2.310 570 H GLY 67 H GLY 67 10.900 -5.101 0.782 571 1HA GLY 67 1HA GLY 67 12.240 -6.924 0.970 572 2HA GLY 67 2HA GLY 67 13.602 -5.892 1.360 Start of MODEL 19 1 1H THR 1 1H THR 1 22.940 26.842 13.194 2 HA THR 1 HA THR 1 23.906 27.828 11.206 3 HB THR 1 HB THR 1 23.960 24.782 11.462 4 HG1 THR 1 HG1 THR 1 26.075 25.559 12.431 5 1HG2 THR 1 1HG2 THR 1 25.887 24.711 10.066 6 2HG2 THR 1 2HG2 THR 1 24.795 25.788 9.163 7 3HG2 THR 1 3HG2 THR 1 26.113 26.475 10.141 8 H TYR 2 H TYR 2 21.728 25.043 10.392 9 HA TYR 2 HA TYR 2 21.348 26.330 7.777 10 1HB TYR 2 1HB TYR 2 20.771 23.484 8.809 11 2HB TYR 2 2HB TYR 2 20.694 23.985 7.131 12 HD1 TYR 2 HD1 TYR 2 22.866 22.920 9.855 13 HD2 TYR 2 HD2 TYR 2 22.793 24.510 5.883 14 HE1 TYR 2 HE1 TYR 2 25.303 22.269 9.542 15 HE2 TYR 2 HE2 TYR 2 25.231 23.853 5.584 16 HH TYR 2 HH TYR 2 27.114 23.339 6.781 17 H SER 3 H SER 3 19.057 25.640 6.820 18 HA SER 3 HA SER 3 17.087 25.799 8.943 19 1HB SER 3 1HB SER 3 17.319 27.691 6.569 20 2HB SER 3 2HB SER 3 15.829 27.501 7.471 21 HG SER 3 HG SER 3 18.363 28.231 8.671 22 H LEU 4 H LEU 4 16.170 23.772 8.600 23 HA LEU 4 HA LEU 4 14.584 23.430 6.283 24 1HB LEU 4 1HB LEU 4 17.019 22.859 5.582 25 2HB LEU 4 2HB LEU 4 16.773 21.390 6.506 26 HG LEU 4 HG LEU 4 16.355 21.000 4.151 27 1HD1 LEU 4 1HD1 LEU 4 13.559 20.859 5.030 28 2HD1 LEU 4 2HD1 LEU 4 14.689 19.566 4.560 29 3HD1 LEU 4 3HD1 LEU 4 14.723 20.220 6.215 30 1HD2 LEU 4 1HD2 LEU 4 13.881 22.517 3.876 31 2HD2 LEU 4 2HD2 LEU 4 15.299 23.564 4.124 32 3HD2 LEU 4 3HD2 LEU 4 15.281 22.392 2.784 33 H ARG 5 H ARG 5 12.819 22.279 6.901 34 HA ARG 5 HA ARG 5 12.846 20.004 8.349 35 1HB ARG 5 1HB ARG 5 13.249 22.331 10.067 36 2HB ARG 5 2HB ARG 5 11.720 21.572 10.465 37 1HG ARG 5 1HG ARG 5 12.791 19.420 10.854 38 2HG ARG 5 2HG ARG 5 14.308 19.983 10.181 39 1HD ARG 5 1HD ARG 5 14.290 21.780 12.068 40 2HD ARG 5 2HD ARG 5 13.007 20.837 12.800 41 HE ARG 5 HE ARG 5 15.074 19.008 12.199 42 1HH1 ARG 5 1HH1 ARG 5 14.637 21.847 14.231 43 2HH1 ARG 5 2HH1 ARG 5 15.799 21.339 15.412 44 1HH2 ARG 5 1HH2 ARG 5 16.606 18.337 13.756 45 2HH2 ARG 5 2HH2 ARG 5 16.926 19.329 15.139 46 H THR 6 H THR 6 11.245 19.910 6.548 47 HA THR 6 HA THR 6 8.601 20.516 7.503 48 HB THR 6 HB THR 6 8.088 21.842 5.360 49 HG1 THR 6 HG1 THR 6 11.022 21.794 5.476 50 1HG2 THR 6 1HG2 THR 6 8.645 22.955 7.646 51 2HG2 THR 6 2HG2 THR 6 10.290 23.176 7.001 52 3HG2 THR 6 3HG2 THR 6 8.906 23.951 6.194 53 H PHE 7 H PHE 7 7.309 18.858 7.009 54 HA PHE 7 HA PHE 7 7.146 17.674 4.532 55 1HB PHE 7 1HB PHE 7 9.472 16.903 6.052 56 2HB PHE 7 2HB PHE 7 8.361 15.554 6.179 57 HD1 PHE 7 HD1 PHE 7 7.099 15.321 3.632 58 HD2 PHE 7 HD2 PHE 7 11.099 16.448 4.493 59 HE1 PHE 7 HE1 PHE 7 7.814 14.520 1.363 60 HE2 PHE 7 HE2 PHE 7 11.813 15.647 2.224 61 HZ PHE 7 HZ PHE 7 10.162 14.692 0.686 62 H PHE 8 H PHE 8 4.985 17.283 4.728 63 HA PHE 8 HA PHE 8 4.071 15.206 6.346 64 1HB PHE 8 1HB PHE 8 4.439 17.669 7.704 65 2HB PHE 8 2HB PHE 8 2.738 17.704 7.284 66 HD1 PHE 8 HD1 PHE 8 5.302 16.006 9.265 67 HD2 PHE 8 HD2 PHE 8 1.177 16.130 8.275 68 HE1 PHE 8 HE1 PHE 8 4.784 14.543 11.238 69 HE2 PHE 8 HE2 PHE 8 0.660 14.666 10.247 70 HZ PHE 8 HZ PHE 8 2.469 13.890 11.705 71 H VAL 9 H VAL 9 1.480 15.340 6.457 72 HA VAL 9 HA VAL 9 0.444 16.828 4.186 73 HB VAL 9 HB VAL 9 0.362 13.815 4.427 74 1HG1 VAL 9 1HG1 VAL 9 -0.759 14.832 1.972 75 2HG1 VAL 9 2HG1 VAL 9 -1.498 13.774 3.197 76 3HG1 VAL 9 3HG1 VAL 9 -1.610 15.542 3.364 77 1HG2 VAL 9 1HG2 VAL 9 1.441 13.901 2.179 78 2HG2 VAL 9 2HG2 VAL 9 1.589 15.666 2.356 79 3HG2 VAL 9 3HG2 VAL 9 2.449 14.583 3.478 80 H ARG 10 H ARG 10 -1.372 14.070 5.256 81 HA ARG 10 HA ARG 10 -2.432 15.100 7.585 82 1HB ARG 10 1HB ARG 10 -3.331 16.827 5.904 83 2HB ARG 10 2HB ARG 10 -4.267 15.536 5.179 84 1HG ARG 10 1HG ARG 10 -4.927 15.210 7.838 85 2HG ARG 10 2HG ARG 10 -4.673 16.943 7.778 86 1HD ARG 10 1HD ARG 10 -6.181 16.832 5.600 87 2HD ARG 10 2HD ARG 10 -6.684 15.277 6.232 88 HE ARG 10 HE ARG 10 -7.867 16.367 7.943 89 1HH1 ARG 10 1HH1 ARG 10 -5.669 18.642 6.404 90 2HH1 ARG 10 2HH1 ARG 10 -6.319 20.022 7.225 91 1HH2 ARG 10 1HH2 ARG 10 -8.725 18.186 9.026 92 2HH2 ARG 10 2HH2 ARG 10 -8.069 19.761 8.727 93 H GLU 11 H GLU 11 -3.946 13.712 4.570 94 HA GLU 11 HA GLU 11 -3.756 11.088 5.386 95 1HB GLU 11 1HB GLU 11 -5.979 10.550 6.182 96 2HB GLU 11 2HB GLU 11 -5.352 11.844 7.183 97 1HG GLU 11 1HG GLU 11 -6.588 13.262 5.133 98 2HG GLU 11 2HG GLU 11 -7.635 11.865 5.283 99 H SER 12 H SER 12 -6.113 9.981 4.237 100 HA SER 12 HA SER 12 -6.965 9.452 2.314 101 1HB SER 12 1HB SER 12 -7.066 12.396 2.328 102 2HB SER 12 2HB SER 12 -7.045 11.747 0.700 103 HG SER 12 HG SER 12 -8.766 10.336 2.385 104 H ALA 13 H ALA 13 -6.439 8.980 0.013 105 HA ALA 13 HA ALA 13 -3.582 9.427 -0.495 106 1HB ALA 13 1HB ALA 13 -5.440 7.258 -1.551 107 2HB ALA 13 2HB ALA 13 -3.678 7.358 -1.785 108 3HB ALA 13 3HB ALA 13 -4.345 7.072 -0.160 109 H GLU 14 H GLU 14 -4.903 8.154 -3.252 110 HA GLU 14 HA GLU 14 -4.880 9.122 -5.258 111 1HB GLU 14 1HB GLU 14 -7.280 8.804 -4.492 112 2HB GLU 14 2HB GLU 14 -7.321 10.503 -4.061 113 1HG GLU 14 1HG GLU 14 -6.315 10.583 -6.660 114 2HG GLU 14 2HG GLU 14 -7.431 9.234 -6.740 115 H GLY 15 H GLY 15 -2.896 10.418 -5.032 116 1HA GLY 15 1HA GLY 15 -2.570 12.716 -6.026 117 2HA GLY 15 2HA GLY 15 -3.420 13.295 -4.607 118 H LEU 16 H LEU 16 -1.894 10.610 -3.438 119 HA LEU 16 HA LEU 16 0.131 12.180 -2.178 120 1HB LEU 16 1HB LEU 16 0.692 9.942 -1.135 121 2HB LEU 16 2HB LEU 16 -0.881 10.632 -0.790 122 HG LEU 16 HG LEU 16 -2.017 9.053 -2.089 123 1HD1 LEU 16 1HD1 LEU 16 -0.754 9.204 -4.136 124 2HD1 LEU 16 2HD1 LEU 16 0.627 8.361 -3.395 125 3HD1 LEU 16 3HD1 LEU 16 -0.904 7.494 -3.665 126 1HD2 LEU 16 1HD2 LEU 16 -0.908 8.184 0.023 127 2HD2 LEU 16 2HD2 LEU 16 -1.434 6.963 -1.160 128 3HD2 LEU 16 3HD2 LEU 16 0.286 7.403 -1.041 129 H THR 17 H THR 17 2.463 11.539 -2.156 130 HA THR 17 HA THR 17 3.337 11.160 -4.881 131 HB THR 17 HB THR 17 5.608 11.535 -3.641 132 HG1 THR 17 HG1 THR 17 5.212 12.281 -1.434 133 1HG2 THR 17 1HG2 THR 17 5.281 13.895 -3.490 134 2HG2 THR 17 2HG2 THR 17 4.070 13.396 -4.695 135 3HG2 THR 17 3HG2 THR 17 3.576 13.714 -3.015 136 H GLN 18 H GLN 18 4.993 9.597 -5.515 137 HA GLN 18 HA GLN 18 4.195 7.045 -4.931 138 1HB GLN 18 1HB GLN 18 6.416 6.392 -6.020 139 2HB GLN 18 2HB GLN 18 5.379 7.441 -6.966 140 1HG GLN 18 1HG GLN 18 7.310 8.833 -5.150 141 2HG GLN 18 2HG GLN 18 8.029 7.952 -6.483 142 1HE2 GLN 18 1HE2 GLN 18 8.047 10.759 -6.109 143 2HE2 GLN 18 2HE2 GLN 18 7.211 11.510 -7.427 144 H GLY 19 H GLY 19 6.577 9.153 -3.337 145 1HA GLY 19 1HA GLY 19 7.897 7.107 -1.860 146 2HA GLY 19 2HA GLY 19 7.944 8.835 -1.570 147 H GLU 20 H GLU 20 5.107 9.325 -1.250 148 HA GLU 20 HA GLU 20 4.870 8.771 1.440 149 1HB GLU 20 1HB GLU 20 3.456 10.249 -0.547 150 2HB GLU 20 2HB GLU 20 2.268 9.216 0.224 151 1HG GLU 20 1HG GLU 20 4.243 10.834 1.878 152 2HG GLU 20 2HG GLU 20 2.756 11.553 1.293 153 H LEU 21 H LEU 21 3.596 7.088 -1.468 154 HA LEU 21 HA LEU 21 1.834 5.381 -0.158 155 1HB LEU 21 1HB LEU 21 2.396 5.920 -2.707 156 2HB LEU 21 2HB LEU 21 3.333 4.447 -2.554 157 HG LEU 21 HG LEU 21 1.272 3.743 -3.392 158 1HD1 LEU 21 1HD1 LEU 21 0.858 3.351 -0.424 159 2HD1 LEU 21 2HD1 LEU 21 0.390 2.274 -1.761 160 3HD1 LEU 21 3HD1 LEU 21 2.109 2.494 -1.355 161 1HD2 LEU 21 1HD2 LEU 21 -0.129 5.470 -1.333 162 2HD2 LEU 21 2HD2 LEU 21 0.051 5.841 -3.064 163 3HD2 LEU 21 3HD2 LEU 21 -0.912 4.435 -2.551 164 H MET 22 H MET 22 5.374 5.201 -0.741 165 HA MET 22 HA MET 22 5.778 2.603 -0.047 166 1HB MET 22 1HB MET 22 7.512 5.036 0.664 167 2HB MET 22 2HB MET 22 8.091 3.385 0.560 168 1HG MET 22 1HG MET 22 7.074 3.489 -1.904 169 2HG MET 22 2HG MET 22 7.202 5.222 -1.678 170 1HE MET 22 1HE MET 22 10.689 2.213 -1.592 171 2HE MET 22 2HE MET 22 9.483 2.269 -0.285 172 3HE MET 22 3HE MET 22 8.984 1.838 -1.938 173 H LYS 23 H LYS 23 5.897 5.502 2.153 174 HA LYS 23 HA LYS 23 6.309 4.025 4.482 175 1HB LYS 23 1HB LYS 23 6.794 6.397 4.331 176 2HB LYS 23 2HB LYS 23 5.108 6.772 4.038 177 1HG LYS 23 1HG LYS 23 4.498 5.873 6.278 178 2HG LYS 23 2HG LYS 23 6.169 5.432 6.572 179 1HD LYS 23 1HD LYS 23 5.998 7.513 7.667 180 2HD LYS 23 2HD LYS 23 6.705 7.959 6.127 181 1HE LYS 23 1HE LYS 23 4.448 8.560 5.249 182 2HE LYS 23 2HE LYS 23 3.718 8.080 6.768 183 1HZ LYS 23 1HZ LYS 23 5.858 9.919 7.108 184 2HZ LYS 23 2HZ LYS 23 4.650 10.531 6.194 185 3HZ LYS 23 3HZ LYS 23 4.336 9.976 7.697 186 H LEU 24 H LEU 24 3.409 4.739 2.569 187 HA LEU 24 HA LEU 24 1.548 4.134 4.598 188 1HB LEU 24 1HB LEU 24 1.508 4.474 1.637 189 2HB LEU 24 2HB LEU 24 0.147 3.665 2.390 190 HG LEU 24 HG LEU 24 1.009 6.251 3.596 191 1HD1 LEU 24 1HD1 LEU 24 -0.552 7.371 1.833 192 2HD1 LEU 24 2HD1 LEU 24 1.160 7.077 1.445 193 3HD1 LEU 24 3HD1 LEU 24 -0.095 5.983 0.817 194 1HD2 LEU 24 1HD2 LEU 24 -1.344 4.532 3.523 195 2HD2 LEU 24 2HD2 LEU 24 -0.871 5.785 4.696 196 3HD2 LEU 24 3HD2 LEU 24 -1.736 6.239 3.208 197 H ILE 25 H ILE 25 3.130 2.197 1.990 198 HA ILE 25 HA ILE 25 1.717 -0.165 2.640 199 HB ILE 25 HB ILE 25 4.086 0.543 0.955 200 1HG1 ILE 25 1HG1 ILE 25 1.362 -0.666 0.398 201 2HG1 ILE 25 2HG1 ILE 25 1.873 0.975 0.052 202 1HG2 ILE 25 1HG2 ILE 25 4.075 -1.842 2.308 203 2HG2 ILE 25 2HG2 ILE 25 3.260 -2.269 0.784 204 3HG2 ILE 25 3HG2 ILE 25 4.882 -1.537 0.751 205 1HD1 ILE 25 1HD1 ILE 25 3.682 -1.091 -1.074 206 2HD1 ILE 25 2HD1 ILE 25 2.028 -1.128 -1.732 207 3HD1 ILE 25 3HD1 ILE 25 2.997 0.362 -1.841 208 H LYS 26 H LYS 26 4.976 1.150 3.491 209 HA LYS 26 HA LYS 26 5.743 -1.100 4.986 210 1HB LYS 26 1HB LYS 26 7.446 0.327 4.192 211 2HB LYS 26 2HB LYS 26 6.683 1.763 4.845 212 1HG LYS 26 1HG LYS 26 8.423 1.314 6.391 213 2HG LYS 26 2HG LYS 26 6.998 0.673 7.185 214 1HD LYS 26 1HD LYS 26 7.943 -1.466 5.584 215 2HD LYS 26 2HD LYS 26 9.392 -0.742 6.251 216 1HE LYS 26 1HE LYS 26 7.526 -0.821 8.404 217 2HE LYS 26 2HE LYS 26 7.367 -2.366 7.592 218 1HZ LYS 26 1HZ LYS 26 9.568 -1.331 9.078 219 2HZ LYS 26 2HZ LYS 26 9.162 -2.881 8.763 220 3HZ LYS 26 3HZ LYS 26 10.015 -2.022 7.667 221 H GLU 27 H GLU 27 3.710 1.724 5.659 222 HA GLU 27 HA GLU 27 3.862 1.533 8.442 223 1HB GLU 27 1HB GLU 27 2.124 2.920 6.439 224 2HB GLU 27 2HB GLU 27 1.436 2.711 8.037 225 1HG GLU 27 1HG GLU 27 3.300 3.872 9.087 226 2HG GLU 27 2HG GLU 27 4.224 3.865 7.598 227 H ILE 28 H ILE 28 1.907 -0.094 5.943 228 HA ILE 28 HA ILE 28 -0.034 -1.127 7.714 229 HB ILE 28 HB ILE 28 0.735 -1.401 4.893 230 1HG1 ILE 28 1HG1 ILE 28 -2.032 -1.748 5.289 231 2HG1 ILE 28 2HG1 ILE 28 -1.530 -0.600 6.515 232 1HG2 ILE 28 1HG2 ILE 28 -0.579 -3.473 4.560 233 2HG2 ILE 28 2HG2 ILE 28 0.926 -3.737 5.473 234 3HG2 ILE 28 3HG2 ILE 28 -0.635 -3.692 6.326 235 1HD1 ILE 28 1HD1 ILE 28 -0.846 0.995 4.958 236 2HD1 ILE 28 2HD1 ILE 28 -0.457 -0.227 3.723 237 3HD1 ILE 28 3HD1 ILE 28 -2.154 0.205 4.043 238 H VAL 29 H VAL 29 3.126 -2.313 6.456 239 HA VAL 29 HA VAL 29 2.828 -4.728 8.043 240 HB VAL 29 HB VAL 29 3.711 -5.321 6.039 241 1HG1 VAL 29 1HG1 VAL 29 5.015 -2.597 5.997 242 2HG1 VAL 29 2HG1 VAL 29 5.492 -3.877 4.855 243 3HG1 VAL 29 3HG1 VAL 29 3.814 -3.285 4.877 244 1HG2 VAL 29 1HG2 VAL 29 6.010 -5.889 6.284 245 2HG2 VAL 29 2HG2 VAL 29 6.311 -4.509 7.367 246 3HG2 VAL 29 3HG2 VAL 29 5.318 -5.878 7.924 247 H GLU 30 H GLU 30 3.293 -1.717 8.948 248 HA GLU 30 HA GLU 30 5.800 -1.553 10.041 249 1HB GLU 30 1HB GLU 30 4.972 0.291 11.271 250 2HB GLU 30 2HB GLU 30 3.938 0.233 9.858 251 1HG GLU 30 1HG GLU 30 2.271 -1.132 11.221 252 2HG GLU 30 2HG GLU 30 3.279 -0.867 12.630 253 H ASN 31 H ASN 31 2.971 -3.420 11.036 254 HA ASN 31 HA ASN 31 4.593 -4.550 13.137 255 1HB ASN 31 1HB ASN 31 2.644 -4.475 14.741 256 2HB ASN 31 2HB ASN 31 3.246 -2.878 14.343 257 1HD2 ASN 31 1HD2 ASN 31 0.559 -4.773 14.637 258 2HD2 ASN 31 2HD2 ASN 31 -0.589 -3.869 13.707 259 H GLU 32 H GLU 32 4.313 -5.911 10.868 260 HA GLU 32 HA GLU 32 1.934 -7.136 10.304 261 1HB GLU 32 1HB GLU 32 3.207 -8.645 8.956 262 2HB GLU 32 2HB GLU 32 4.100 -7.137 8.945 263 1HG GLU 32 1HG GLU 32 5.916 -8.159 9.835 264 2HG GLU 32 2HG GLU 32 4.984 -8.672 11.227 265 H ASP 33 H ASP 33 2.574 -9.982 10.379 266 HA ASP 33 HA ASP 33 3.003 -10.629 13.116 267 1HB ASP 33 1HB ASP 33 0.462 -9.944 12.694 268 2HB ASP 33 2HB ASP 33 0.353 -11.533 11.962 269 H LYS 34 H LYS 34 2.643 -13.184 13.340 270 HA LYS 34 HA LYS 34 3.985 -14.379 11.128 271 1HB LYS 34 1HB LYS 34 3.286 -15.077 13.904 272 2HB LYS 34 2HB LYS 34 3.259 -16.438 12.801 273 1HG LYS 34 1HG LYS 34 5.591 -14.660 12.383 274 2HG LYS 34 2HG LYS 34 5.541 -15.353 13.992 275 1HD LYS 34 1HD LYS 34 5.973 -17.475 13.235 276 2HD LYS 34 2HD LYS 34 4.906 -17.309 11.855 277 1HE LYS 34 1HE LYS 34 7.613 -15.911 11.979 278 2HE LYS 34 2HE LYS 34 7.436 -17.539 11.354 279 1HZ LYS 34 1HZ LYS 34 7.051 -16.438 9.470 280 2HZ LYS 34 2HZ LYS 34 5.526 -16.282 10.033 281 3HZ LYS 34 3HZ LYS 34 6.589 -15.053 10.201 282 H ARG 35 H ARG 35 0.799 -15.058 12.751 283 HA ARG 35 HA ARG 35 0.001 -16.575 10.493 284 1HB ARG 35 1HB ARG 35 -0.868 -16.192 13.228 285 2HB ARG 35 2HB ARG 35 -2.246 -15.908 12.184 286 1HG ARG 35 1HG ARG 35 -1.057 -18.185 11.055 287 2HG ARG 35 2HG ARG 35 -0.832 -18.433 12.775 288 1HD ARG 35 1HD ARG 35 -3.407 -17.666 12.882 289 2HD ARG 35 2HD ARG 35 -3.406 -18.200 11.213 290 HE ARG 35 HE ARG 35 -2.133 -20.222 12.774 291 1HH1 ARG 35 1HH1 ARG 35 -5.320 -18.792 12.343 292 2HH1 ARG 35 2HH1 ARG 35 -6.168 -20.229 12.809 293 1HH2 ARG 35 1HH2 ARG 35 -3.251 -22.117 13.389 294 2HH2 ARG 35 2HH2 ARG 35 -4.983 -22.133 13.408 295 H LYS 36 H LYS 36 0.388 -13.330 10.861 296 HA LYS 36 HA LYS 36 -1.633 -12.758 8.875 297 1HB LYS 36 1HB LYS 36 -1.960 -12.019 11.668 298 2HB LYS 36 2HB LYS 36 -1.891 -10.598 10.646 299 1HG LYS 36 1HG LYS 36 -3.750 -11.304 9.321 300 2HG LYS 36 2HG LYS 36 -3.618 -12.968 9.855 301 1HD LYS 36 1HD LYS 36 -4.015 -11.133 12.123 302 2HD LYS 36 2HD LYS 36 -5.303 -10.986 10.943 303 1HE LYS 36 1HE LYS 36 -5.118 -13.708 11.043 304 2HE LYS 36 2HE LYS 36 -4.555 -13.332 12.659 305 1HZ LYS 36 1HZ LYS 36 -6.849 -13.492 12.806 306 2HZ LYS 36 2HZ LYS 36 -6.582 -11.881 12.805 307 3HZ LYS 36 3HZ LYS 36 -7.124 -12.620 11.453 308 HA PRO 37 HA PRO 37 2.359 -10.763 8.231 309 1HB PRO 37 1HB PRO 37 2.798 -11.667 5.690 310 2HB PRO 37 2HB PRO 37 3.428 -12.470 7.114 311 1HG PRO 37 1HG PRO 37 1.165 -13.265 5.386 312 2HG PRO 37 2HG PRO 37 2.067 -14.238 6.530 313 1HD PRO 37 1HD PRO 37 -0.551 -13.130 6.911 314 2HD PRO 37 2HD PRO 37 0.400 -14.005 8.095 315 H TYR 38 H TYR 38 2.964 -9.791 5.659 316 HA TYR 38 HA TYR 38 0.592 -8.355 4.846 317 1HB TYR 38 1HB TYR 38 2.996 -7.269 6.372 318 2HB TYR 38 2HB TYR 38 2.297 -6.240 5.138 319 HD1 TYR 38 HD1 TYR 38 2.383 -6.534 8.482 320 HD2 TYR 38 HD2 TYR 38 -0.549 -6.522 5.366 321 HE1 TYR 38 HE1 TYR 38 0.620 -5.741 10.134 322 HE2 TYR 38 HE2 TYR 38 -2.302 -5.729 7.028 323 HH TYR 38 HH TYR 38 -1.417 -5.079 10.408 324 H SER 39 H SER 39 1.966 -10.277 3.399 325 HA SER 39 HA SER 39 4.092 -9.235 1.934 326 1HB SER 39 1HB SER 39 2.987 -11.121 0.257 327 2HB SER 39 2HB SER 39 4.098 -11.478 1.565 328 HG SER 39 HG SER 39 1.217 -11.404 1.862 329 H ASP 40 H ASP 40 3.910 -9.038 -0.616 330 HA ASP 40 HA ASP 40 2.608 -6.801 -1.238 331 1HB ASP 40 1HB ASP 40 2.923 -7.382 -3.569 332 2HB ASP 40 2HB ASP 40 4.266 -8.059 -2.670 333 H GLN 41 H GLN 41 1.353 -10.152 -1.147 334 HA GLN 41 HA GLN 41 -0.978 -9.698 -2.590 335 1HB GLN 41 1HB GLN 41 -0.737 -11.954 -2.375 336 2HB GLN 41 2HB GLN 41 0.153 -11.815 -0.872 337 1HG GLN 41 1HG GLN 41 -1.983 -12.960 -0.459 338 2HG GLN 41 2HG GLN 41 -1.980 -11.413 0.364 339 1HE2 GLN 41 1HE2 GLN 41 -4.346 -12.190 0.181 340 2HE2 GLN 41 2HE2 GLN 41 -5.268 -11.531 -1.129 341 H GLU 42 H GLU 42 -0.405 -9.854 1.001 342 HA GLU 42 HA GLU 42 -2.990 -9.157 1.676 343 1HB GLU 42 1HB GLU 42 -1.219 -10.156 3.189 344 2HB GLU 42 2HB GLU 42 -0.454 -8.581 3.268 345 1HG GLU 42 1HG GLU 42 -2.201 -9.298 5.130 346 2HG GLU 42 2HG GLU 42 -2.170 -7.645 4.549 347 H ILE 43 H ILE 43 -0.027 -7.048 1.923 348 HA ILE 43 HA ILE 43 -1.197 -4.692 2.443 349 HB ILE 43 HB ILE 43 1.266 -5.594 1.171 350 1HG1 ILE 43 1HG1 ILE 43 1.027 -3.121 2.833 351 2HG1 ILE 43 2HG1 ILE 43 0.629 -4.653 3.585 352 1HG2 ILE 43 1HG2 ILE 43 0.352 -4.050 -0.594 353 2HG2 ILE 43 2HG2 ILE 43 0.431 -2.741 0.608 354 3HG2 ILE 43 3HG2 ILE 43 1.920 -3.573 0.100 355 1HD1 ILE 43 1HD1 ILE 43 2.881 -4.783 3.970 356 2HD1 ILE 43 2HD1 ILE 43 2.958 -5.325 2.276 357 3HD1 ILE 43 3HD1 ILE 43 3.264 -3.618 2.679 358 H ALA 44 H ALA 44 -0.826 -6.179 -0.838 359 HA ALA 44 HA ALA 44 -1.990 -4.094 -2.254 360 1HB ALA 44 1HB ALA 44 -2.407 -5.903 -3.964 361 2HB ALA 44 2HB ALA 44 -0.738 -5.849 -3.348 362 3HB ALA 44 3HB ALA 44 -1.865 -7.092 -2.755 363 H ASN 45 H ASN 45 -3.432 -6.989 -0.642 364 HA ASN 45 HA ASN 45 -5.995 -6.580 -1.566 365 1HB ASN 45 1HB ASN 45 -4.723 -8.023 0.752 366 2HB ASN 45 2HB ASN 45 -6.450 -7.745 0.867 367 1HD2 ASN 45 1HD2 ASN 45 -4.008 -8.754 -1.524 368 2HD2 ASN 45 2HD2 ASN 45 -4.915 -10.047 -2.234 369 H ILE 46 H ILE 46 -4.104 -5.198 1.144 370 HA ILE 46 HA ILE 46 -6.254 -4.091 2.567 371 HB ILE 46 HB ILE 46 -3.297 -3.698 2.465 372 1HG1 ILE 46 1HG1 ILE 46 -5.237 -4.470 4.664 373 2HG1 ILE 46 2HG1 ILE 46 -4.260 -5.577 3.722 374 1HG2 ILE 46 1HG2 ILE 46 -5.261 -1.701 3.415 375 2HG2 ILE 46 2HG2 ILE 46 -3.943 -2.093 4.545 376 3HG2 ILE 46 3HG2 ILE 46 -3.566 -1.506 2.908 377 1HD1 ILE 46 1HD1 ILE 46 -2.521 -3.519 4.763 378 2HD1 ILE 46 2HD1 ILE 46 -3.515 -4.157 6.095 379 3HD1 ILE 46 3HD1 ILE 46 -2.513 -5.262 5.123 380 H LEU 47 H LEU 47 -4.022 -2.715 0.061 381 HA LEU 47 HA LEU 47 -5.155 -0.182 0.029 382 1HB LEU 47 1HB LEU 47 -3.740 -1.754 -2.127 383 2HB LEU 47 2HB LEU 47 -4.141 -0.052 -2.252 384 HG LEU 47 HG LEU 47 -2.343 0.560 -1.089 385 1HD1 LEU 47 1HD1 LEU 47 -2.768 -1.652 0.934 386 2HD1 LEU 47 2HD1 LEU 47 -1.802 -0.169 1.124 387 3HD1 LEU 47 3HD1 LEU 47 -3.574 -0.066 0.996 388 1HD2 LEU 47 1HD2 LEU 47 -0.528 -0.704 -1.515 389 2HD2 LEU 47 2HD2 LEU 47 -1.213 -2.151 -0.736 390 3HD2 LEU 47 3HD2 LEU 47 -1.695 -1.721 -2.395 391 H LYS 48 H LYS 48 -6.173 -3.262 -1.441 392 HA LYS 48 HA LYS 48 -7.939 -2.258 -3.326 393 1HB LYS 48 1HB LYS 48 -7.086 -4.658 -2.919 394 2HB LYS 48 2HB LYS 48 -8.393 -4.799 -1.760 395 1HG LYS 48 1HG LYS 48 -9.845 -5.207 -3.449 396 2HG LYS 48 2HG LYS 48 -9.527 -3.613 -4.106 397 1HD LYS 48 1HD LYS 48 -8.210 -4.437 -5.781 398 2HD LYS 48 2HD LYS 48 -7.343 -5.506 -4.697 399 1HE LYS 48 1HE LYS 48 -8.603 -7.298 -5.315 400 2HE LYS 48 2HE LYS 48 -10.099 -6.430 -5.035 401 1HZ LYS 48 1HZ LYS 48 -10.129 -5.667 -7.175 402 2HZ LYS 48 2HZ LYS 48 -8.520 -5.822 -7.406 403 3HZ LYS 48 3HZ LYS 48 -9.475 -7.147 -7.395 404 H GLU 49 H GLU 49 -8.009 -2.101 0.137 405 HA GLU 49 HA GLU 49 -10.766 -2.132 0.503 406 1HB GLU 49 1HB GLU 49 -10.304 -1.461 2.710 407 2HB GLU 49 2HB GLU 49 -8.823 -2.269 2.237 408 1HG GLU 49 1HG GLU 49 -7.870 -0.003 1.580 409 2HG GLU 49 2HG GLU 49 -9.317 0.745 2.227 410 H LYS 50 H LYS 50 -9.273 -0.232 -1.614 411 HA LYS 50 HA LYS 50 -9.817 1.650 -2.637 412 1HB LYS 50 1HB LYS 50 -12.124 1.130 -2.492 413 2HB LYS 50 2HB LYS 50 -12.196 1.505 -0.782 414 1HG LYS 50 1HG LYS 50 -11.210 3.784 -2.376 415 2HG LYS 50 2HG LYS 50 -12.800 3.259 -2.892 416 1HD LYS 50 1HD LYS 50 -13.791 3.726 -0.808 417 2HD LYS 50 2HD LYS 50 -12.285 3.548 0.070 418 1HE LYS 50 1HE LYS 50 -12.912 5.927 -0.022 419 2HE LYS 50 2HE LYS 50 -11.437 5.673 -0.934 420 1HZ LYS 50 1HZ LYS 50 -14.072 6.335 -1.888 421 2HZ LYS 50 2HZ LYS 50 -12.611 6.786 -2.463 422 3HZ LYS 50 3HZ LYS 50 -13.213 5.312 -2.828 423 H GLY 51 H GLY 51 -7.754 1.676 -0.805 424 1HA GLY 51 1HA GLY 51 -8.113 4.279 0.559 425 2HA GLY 51 2HA GLY 51 -7.095 2.979 1.149 426 H PHE 52 H PHE 52 -6.461 2.433 -1.912 427 HA PHE 52 HA PHE 52 -4.991 4.740 -2.692 428 1HB PHE 52 1HB PHE 52 -3.482 2.197 -1.854 429 2HB PHE 52 2HB PHE 52 -2.756 3.708 -2.366 430 HD1 PHE 52 HD1 PHE 52 -4.054 1.829 0.410 431 HD2 PHE 52 HD2 PHE 52 -2.967 5.727 -0.870 432 HE1 PHE 52 HE1 PHE 52 -3.926 2.579 2.802 433 HE2 PHE 52 HE2 PHE 52 -2.840 6.476 1.522 434 HZ PHE 52 HZ PHE 52 -3.321 4.893 3.329 435 H LYS 53 H LYS 53 -3.814 4.368 -4.769 436 HA LYS 53 HA LYS 53 -5.178 2.266 -6.260 437 1HB LYS 53 1HB LYS 53 -4.937 4.896 -6.809 438 2HB LYS 53 2HB LYS 53 -3.504 4.311 -7.629 439 1HG LYS 53 1HG LYS 53 -6.215 2.980 -8.018 440 2HG LYS 53 2HG LYS 53 -5.728 4.362 -8.979 441 1HD LYS 53 1HD LYS 53 -3.566 3.017 -9.520 442 2HD LYS 53 2HD LYS 53 -4.395 1.627 -8.846 443 1HE LYS 53 1HE LYS 53 -4.977 1.431 -11.106 444 2HE LYS 53 2HE LYS 53 -6.355 2.320 -10.489 445 1HZ LYS 53 1HZ LYS 53 -5.643 4.228 -11.457 446 2HZ LYS 53 2HZ LYS 53 -4.060 3.829 -11.428 447 3HZ LYS 53 3HZ LYS 53 -5.050 3.158 -12.539 448 H VAL 54 H VAL 54 -3.986 0.428 -5.585 449 HA VAL 54 HA VAL 54 -1.268 0.395 -6.686 450 HB VAL 54 HB VAL 54 -1.810 -1.291 -4.322 451 1HG1 VAL 54 1HG1 VAL 54 0.475 -0.917 -3.855 452 2HG1 VAL 54 2HG1 VAL 54 0.380 -1.038 -5.628 453 3HG1 VAL 54 3HG1 VAL 54 0.526 0.557 -4.852 454 1HG2 VAL 54 1HG2 VAL 54 -1.635 1.730 -4.120 455 2HG2 VAL 54 2HG2 VAL 54 -2.925 0.667 -3.508 456 3HG2 VAL 54 3HG2 VAL 54 -1.309 0.625 -2.763 457 H ALA 55 H ALA 55 -0.613 -2.206 -6.547 458 HA ALA 55 HA ALA 55 -2.744 -3.981 -7.063 459 1HB ALA 55 1HB ALA 55 -2.983 -3.916 -9.315 460 2HB ALA 55 2HB ALA 55 -2.263 -2.292 -9.195 461 3HB ALA 55 3HB ALA 55 -1.238 -3.693 -9.585 462 H ARG 56 H ARG 56 -1.973 -6.148 -7.207 463 HA ARG 56 HA ARG 56 0.067 -6.889 -5.821 464 1HB ARG 56 1HB ARG 56 -0.844 -8.088 -8.474 465 2HB ARG 56 2HB ARG 56 0.338 -8.898 -7.465 466 1HG ARG 56 1HG ARG 56 -1.213 -9.458 -5.844 467 2HG ARG 56 2HG ARG 56 -2.121 -7.972 -6.041 468 1HD ARG 56 1HD ARG 56 -2.142 -10.205 -8.124 469 2HD ARG 56 2HD ARG 56 -3.307 -10.117 -6.817 470 HE ARG 56 HE ARG 56 -3.123 -7.604 -8.284 471 1HH1 ARG 56 1HH1 ARG 56 -4.580 -10.808 -8.307 472 2HH1 ARG 56 2HH1 ARG 56 -5.923 -10.330 -9.291 473 1HH2 ARG 56 1HH2 ARG 56 -4.895 -6.973 -9.582 474 2HH2 ARG 56 2HH2 ARG 56 -6.104 -8.134 -10.021 475 H ARG 57 H ARG 57 0.316 -5.893 -9.288 476 HA ARG 57 HA ARG 57 2.976 -6.501 -9.611 477 1HB ARG 57 1HB ARG 57 0.952 -5.412 -11.178 478 2HB ARG 57 2HB ARG 57 2.036 -4.046 -11.014 479 1HG ARG 57 1HG ARG 57 3.601 -6.441 -11.534 480 2HG ARG 57 2HG ARG 57 2.328 -6.319 -12.732 481 1HD ARG 57 1HD ARG 57 3.124 -4.279 -13.586 482 2HD ARG 57 2HD ARG 57 3.884 -3.816 -12.076 483 HE ARG 57 HE ARG 57 5.073 -6.198 -13.318 484 1HH1 ARG 57 1HH1 ARG 57 5.151 -2.686 -13.112 485 2HH1 ARG 57 2HH1 ARG 57 6.787 -2.563 -13.667 486 1HH2 ARG 57 1HH2 ARG 57 7.232 -6.035 -14.050 487 2HH2 ARG 57 2HH2 ARG 57 7.979 -4.480 -14.204 488 H THR 58 H THR 58 1.405 -3.305 -8.835 489 HA THR 58 HA THR 58 3.804 -1.909 -8.462 490 HB THR 58 HB THR 58 0.879 -1.565 -7.773 491 HG1 THR 58 HG1 THR 58 1.757 -0.964 -9.859 492 1HG2 THR 58 1HG2 THR 58 1.280 0.549 -6.680 493 2HG2 THR 58 2HG2 THR 58 2.319 -0.617 -5.827 494 3HG2 THR 58 3HG2 THR 58 3.022 0.482 -7.038 495 H VAL 59 H VAL 59 1.715 -3.723 -6.150 496 HA VAL 59 HA VAL 59 3.151 -2.988 -3.870 497 HB VAL 59 HB VAL 59 1.772 -5.633 -4.224 498 1HG1 VAL 59 1HG1 VAL 59 1.753 -3.652 -1.924 499 2HG1 VAL 59 2HG1 VAL 59 1.112 -5.313 -1.925 500 3HG1 VAL 59 3HG1 VAL 59 2.865 -5.036 -2.056 501 1HG2 VAL 59 1HG2 VAL 59 -0.204 -3.845 -3.406 502 2HG2 VAL 59 2HG2 VAL 59 0.629 -2.998 -4.732 503 3HG2 VAL 59 3HG2 VAL 59 -0.062 -4.616 -5.004 504 H ALA 60 H ALA 60 3.523 -5.700 -6.219 505 HA ALA 60 HA ALA 60 5.474 -7.105 -4.847 506 1HB ALA 60 1HB ALA 60 4.642 -6.786 -7.723 507 2HB ALA 60 2HB ALA 60 6.124 -7.696 -7.345 508 3HB ALA 60 3HB ALA 60 4.562 -8.220 -6.672 509 H LYS 61 H LYS 61 5.695 -4.252 -7.035 510 HA LYS 61 HA LYS 61 8.489 -4.227 -7.192 511 1HB LYS 61 1HB LYS 61 6.489 -2.907 -8.440 512 2HB LYS 61 2HB LYS 61 6.998 -1.656 -7.324 513 1HG LYS 61 1HG LYS 61 9.193 -1.562 -8.211 514 2HG LYS 61 2HG LYS 61 9.098 -3.174 -8.892 515 1HD LYS 61 1HD LYS 61 7.284 -2.278 -10.480 516 2HD LYS 61 2HD LYS 61 7.675 -0.671 -9.900 517 1HE LYS 61 1HE LYS 61 10.168 -1.338 -10.510 518 2HE LYS 61 2HE LYS 61 9.414 -2.577 -11.494 519 1HZ LYS 61 1HZ LYS 61 8.838 0.300 -11.676 520 2HZ LYS 61 2HZ LYS 61 9.763 -0.550 -12.720 521 3HZ LYS 61 3HZ LYS 61 8.164 -0.861 -12.606 522 H TYR 62 H TYR 62 6.153 -2.674 -4.917 523 HA TYR 62 HA TYR 62 8.130 -1.277 -3.476 524 1HB TYR 62 1HB TYR 62 5.245 -2.170 -3.264 525 2HB TYR 62 2HB TYR 62 6.003 -1.724 -1.749 526 HD1 TYR 62 HD1 TYR 62 6.408 -0.229 -5.162 527 HD2 TYR 62 HD2 TYR 62 5.066 0.325 -1.138 528 HE1 TYR 62 HE1 TYR 62 5.945 2.223 -5.647 529 HE2 TYR 62 HE2 TYR 62 4.607 2.776 -1.636 530 HH TYR 62 HH TYR 62 5.789 4.458 -3.629 531 H ARG 63 H ARG 63 6.576 -4.511 -3.081 532 HA ARG 63 HA ARG 63 7.314 -5.185 -0.636 533 1HB ARG 63 1HB ARG 63 6.150 -6.663 -2.324 534 2HB ARG 63 2HB ARG 63 7.694 -6.971 -3.094 535 1HG ARG 63 1HG ARG 63 8.558 -7.911 -0.916 536 2HG ARG 63 2HG ARG 63 6.974 -7.666 -0.206 537 1HD ARG 63 1HD ARG 63 6.248 -9.634 -1.073 538 2HD ARG 63 2HD ARG 63 6.604 -9.080 -2.697 539 HE ARG 63 HE ARG 63 8.624 -10.282 -2.658 540 1HH1 ARG 63 1HH1 ARG 63 7.302 -10.082 0.597 541 2HH1 ARG 63 2HH1 ARG 63 8.432 -11.213 1.263 542 1HH2 ARG 63 1HH2 ARG 63 10.116 -11.773 -1.780 543 2HH2 ARG 63 2HH2 ARG 63 10.044 -12.181 -0.098 544 H GLU 64 H GLU 64 9.445 -5.042 -3.537 545 HA GLU 64 HA GLU 64 11.655 -6.203 -2.276 546 1HB GLU 64 1HB GLU 64 11.037 -5.611 -4.849 547 2HB GLU 64 2HB GLU 64 12.066 -4.235 -4.503 548 1HG GLU 64 1HG GLU 64 13.933 -5.663 -3.899 549 2HG GLU 64 2HG GLU 64 12.919 -7.092 -3.871 550 H MET 65 H MET 65 10.487 -2.825 -2.676 551 HA MET 65 HA MET 65 12.820 -1.670 -1.628 552 1HB MET 65 1HB MET 65 9.930 -0.724 -1.985 553 2HB MET 65 2HB MET 65 11.167 0.337 -1.340 554 1HG MET 65 1HG MET 65 12.544 -0.050 -3.422 555 2HG MET 65 2HG MET 65 11.252 -1.042 -4.068 556 1HE MET 65 1HE MET 65 9.165 -0.368 -4.918 557 2HE MET 65 2HE MET 65 8.844 1.257 -5.569 558 3HE MET 65 3HE MET 65 10.244 0.324 -6.153 559 H LEU 66 H LEU 66 9.714 -2.800 -0.227 560 HA LEU 66 HA LEU 66 10.929 -2.843 2.370 561 1HB LEU 66 1HB LEU 66 9.359 -1.408 3.475 562 2HB LEU 66 2HB LEU 66 10.234 -0.514 2.248 563 HG LEU 66 HG LEU 66 8.108 0.289 1.948 564 1HD1 LEU 66 1HD1 LEU 66 7.243 -0.517 -0.116 565 2HD1 LEU 66 2HD1 LEU 66 9.007 -0.746 -0.162 566 3HD1 LEU 66 3HD1 LEU 66 7.938 -2.135 0.146 567 1HD2 LEU 66 1HD2 LEU 66 7.329 -1.956 3.430 568 2HD2 LEU 66 2HD2 LEU 66 6.310 -0.592 2.909 569 3HD2 LEU 66 3HD2 LEU 66 6.415 -2.058 1.905 570 H GLY 67 H GLY 67 10.574 -5.037 2.509 571 1HA GLY 67 1HA GLY 67 8.007 -6.143 1.741 572 2HA GLY 67 2HA GLY 67 9.413 -7.002 2.338 Start of MODEL 20 1 1H THR 1 1H THR 1 -12.587 21.987 35.264 2 HA THR 1 HA THR 1 -9.753 21.574 35.960 3 HB THR 1 HB THR 1 -10.226 19.237 36.217 4 HG1 THR 1 HG1 THR 1 -12.716 20.072 34.910 5 1HG2 THR 1 1HG2 THR 1 -12.798 20.624 37.139 6 2HG2 THR 1 2HG2 THR 1 -12.169 19.067 37.731 7 3HG2 THR 1 3HG2 THR 1 -11.293 20.575 38.088 8 H TYR 2 H TYR 2 -8.537 20.247 34.340 9 HA TYR 2 HA TYR 2 -8.773 21.455 31.823 10 1HB TYR 2 1HB TYR 2 -6.816 20.109 31.425 11 2HB TYR 2 2HB TYR 2 -6.811 20.259 33.171 12 HD1 TYR 2 HD1 TYR 2 -6.921 17.986 30.389 13 HD2 TYR 2 HD2 TYR 2 -7.819 18.348 34.556 14 HE1 TYR 2 HE1 TYR 2 -6.938 15.453 30.612 15 HE2 TYR 2 HE2 TYR 2 -7.833 15.815 34.766 16 HH TYR 2 HH TYR 2 -7.206 13.924 33.759 17 H SER 3 H SER 3 -8.618 19.829 29.771 18 HA SER 3 HA SER 3 -9.997 17.515 29.698 19 1HB SER 3 1HB SER 3 -11.821 19.586 30.306 20 2HB SER 3 2HB SER 3 -12.069 19.272 28.599 21 HG SER 3 HG SER 3 -12.760 17.229 29.010 22 H LEU 4 H LEU 4 -10.925 17.107 27.325 23 HA LEU 4 HA LEU 4 -10.683 17.228 25.126 24 1HB LEU 4 1HB LEU 4 -10.411 19.963 25.929 25 2HB LEU 4 2HB LEU 4 -9.270 19.639 24.638 26 HG LEU 4 HG LEU 4 -11.318 18.570 23.419 27 1HD1 LEU 4 1HD1 LEU 4 -12.844 20.495 25.173 28 2HD1 LEU 4 2HD1 LEU 4 -13.471 19.300 24.011 29 3HD1 LEU 4 3HD1 LEU 4 -12.731 18.756 25.536 30 1HD2 LEU 4 1HD2 LEU 4 -10.200 21.205 23.512 31 2HD2 LEU 4 2HD2 LEU 4 -10.923 20.334 22.138 32 3HD2 LEU 4 3HD2 LEU 4 -11.949 21.324 23.204 33 H ARG 5 H ARG 5 -9.243 16.003 24.020 34 HA ARG 5 HA ARG 5 -6.515 16.622 24.033 35 1HB ARG 5 1HB ARG 5 -7.042 15.345 26.321 36 2HB ARG 5 2HB ARG 5 -7.055 13.920 25.301 37 1HG ARG 5 1HG ARG 5 -4.755 14.907 24.386 38 2HG ARG 5 2HG ARG 5 -4.761 15.804 25.892 39 1HD ARG 5 1HD ARG 5 -5.352 12.856 26.060 40 2HD ARG 5 2HD ARG 5 -3.703 13.315 25.687 41 HE ARG 5 HE ARG 5 -4.457 14.945 27.852 42 1HH1 ARG 5 1HH1 ARG 5 -4.159 11.494 27.231 43 2HH1 ARG 5 2HH1 ARG 5 -3.797 11.100 28.879 44 1HH2 ARG 5 1HH2 ARG 5 -3.980 14.425 30.025 45 2HH2 ARG 5 2HH2 ARG 5 -3.695 12.778 30.479 46 H THR 6 H THR 6 -5.611 15.746 22.151 47 HA THR 6 HA THR 6 -5.504 14.658 20.215 48 HB THR 6 HB THR 6 -6.876 12.511 21.914 49 HG1 THR 6 HG1 THR 6 -4.746 13.164 22.599 50 1HG2 THR 6 1HG2 THR 6 -6.142 10.889 20.281 51 2HG2 THR 6 2HG2 THR 6 -6.994 12.140 19.345 52 3HG2 THR 6 3HG2 THR 6 -5.215 12.113 19.381 53 H PHE 7 H PHE 7 -6.667 14.062 18.267 54 HA PHE 7 HA PHE 7 -9.433 13.887 18.162 55 1HB PHE 7 1HB PHE 7 -8.197 16.594 18.360 56 2HB PHE 7 2HB PHE 7 -9.190 16.428 16.926 57 HD1 PHE 7 HD1 PHE 7 -9.334 17.766 19.979 58 HD2 PHE 7 HD2 PHE 7 -11.453 14.876 17.707 59 HE1 PHE 7 HE1 PHE 7 -11.390 18.193 21.354 60 HE2 PHE 7 HE2 PHE 7 -13.510 15.302 19.082 61 HZ PHE 7 HZ PHE 7 -13.453 16.956 20.889 62 H PHE 8 H PHE 8 -10.249 13.959 15.891 63 HA PHE 8 HA PHE 8 -10.071 13.432 13.759 64 1HB PHE 8 1HB PHE 8 -7.897 15.417 14.330 65 2HB PHE 8 2HB PHE 8 -7.614 14.479 12.877 66 HD1 PHE 8 HD1 PHE 8 -8.953 14.802 10.912 67 HD2 PHE 8 HD2 PHE 8 -9.875 16.886 14.492 68 HE1 PHE 8 HE1 PHE 8 -10.493 16.317 9.633 69 HE2 PHE 8 HE2 PHE 8 -11.416 18.400 13.213 70 HZ PHE 8 HZ PHE 8 -11.706 18.098 10.799 71 H VAL 9 H VAL 9 -9.139 11.886 12.281 72 HA VAL 9 HA VAL 9 -7.320 10.077 13.641 73 HB VAL 9 HB VAL 9 -9.474 9.339 12.620 74 1HG1 VAL 9 1HG1 VAL 9 -8.213 9.429 9.907 75 2HG1 VAL 9 2HG1 VAL 9 -9.931 9.424 10.372 76 3HG1 VAL 9 3HG1 VAL 9 -8.967 10.912 10.540 77 1HG2 VAL 9 1HG2 VAL 9 -8.587 7.285 11.700 78 2HG2 VAL 9 2HG2 VAL 9 -7.017 8.059 11.379 79 3HG2 VAL 9 3HG2 VAL 9 -7.557 7.804 13.056 80 H ARG 10 H ARG 10 -6.655 12.826 12.308 81 HA ARG 10 HA ARG 10 -5.092 13.699 11.092 82 1HB ARG 10 1HB ARG 10 -3.718 12.287 12.738 83 2HB ARG 10 2HB ARG 10 -3.552 11.085 11.474 84 1HG ARG 10 1HG ARG 10 -2.132 12.414 10.188 85 2HG ARG 10 2HG ARG 10 -2.847 13.914 10.745 86 1HD ARG 10 1HD ARG 10 -1.764 13.598 12.985 87 2HD ARG 10 2HD ARG 10 -1.043 12.102 12.423 88 HE ARG 10 HE ARG 10 0.562 13.342 11.258 89 1HH1 ARG 10 1HH1 ARG 10 -2.165 15.431 12.024 90 2HH1 ARG 10 2HH1 ARG 10 -1.383 16.871 11.463 91 1HH2 ARG 10 1HH2 ARG 10 1.593 15.242 10.518 92 2HH2 ARG 10 2HH2 ARG 10 0.769 16.763 10.600 93 H GLU 11 H GLU 11 -6.819 13.201 9.282 94 HA GLU 11 HA GLU 11 -7.411 12.288 7.354 95 1HB GLU 11 1HB GLU 11 -5.217 12.566 5.721 96 2HB GLU 11 2HB GLU 11 -6.279 13.880 6.185 97 1HG GLU 11 1HG GLU 11 -3.839 13.077 7.831 98 2HG GLU 11 2HG GLU 11 -3.766 14.277 6.555 99 H SER 12 H SER 12 -4.053 11.336 6.653 100 HA SER 12 HA SER 12 -3.054 9.364 6.688 101 1HB SER 12 1HB SER 12 -3.841 7.533 7.859 102 2HB SER 12 2HB SER 12 -4.854 8.773 8.571 103 HG SER 12 HG SER 12 -6.514 8.207 6.962 104 H ALA 13 H ALA 13 -2.542 8.431 4.729 105 HA ALA 13 HA ALA 13 -2.776 8.094 2.523 106 1HB ALA 13 1HB ALA 13 -3.978 6.066 2.076 107 2HB ALA 13 2HB ALA 13 -3.371 5.941 3.744 108 3HB ALA 13 3HB ALA 13 -5.080 6.340 3.446 109 H GLU 14 H GLU 14 -5.847 7.121 1.868 110 HA GLU 14 HA GLU 14 -7.414 8.019 0.641 111 1HB GLU 14 1HB GLU 14 -8.332 8.602 2.803 112 2HB GLU 14 2HB GLU 14 -7.304 10.015 2.936 113 1HG GLU 14 1HG GLU 14 -8.460 10.947 0.852 114 2HG GLU 14 2HG GLU 14 -9.579 9.601 0.943 115 H GLY 15 H GLY 15 -6.674 8.635 -1.372 116 1HA GLY 15 1HA GLY 15 -6.199 10.090 -3.034 117 2HA GLY 15 2HA GLY 15 -6.342 11.420 -1.903 118 H LEU 16 H LEU 16 -4.241 9.141 -0.529 119 HA LEU 16 HA LEU 16 -2.042 10.754 -0.540 120 1HB LEU 16 1HB LEU 16 -1.145 9.141 0.690 121 2HB LEU 16 2HB LEU 16 -2.729 8.399 0.589 122 HG LEU 16 HG LEU 16 -0.765 7.748 -1.565 123 1HD1 LEU 16 1HD1 LEU 16 0.828 7.093 -0.157 124 2HD1 LEU 16 2HD1 LEU 16 -0.219 7.332 1.263 125 3HD1 LEU 16 3HD1 LEU 16 -0.283 5.801 0.358 126 1HD2 LEU 16 1HD2 LEU 16 -2.254 5.592 -0.264 127 2HD2 LEU 16 2HD2 LEU 16 -3.299 6.882 -0.906 128 3HD2 LEU 16 3HD2 LEU 16 -2.151 6.049 -1.981 129 H THR 17 H THR 17 0.136 10.353 -1.609 130 HA THR 17 HA THR 17 -0.328 10.176 -4.471 131 HB THR 17 HB THR 17 2.177 10.935 -4.378 132 HG1 THR 17 HG1 THR 17 2.830 11.472 -2.238 133 1HG2 THR 17 1HG2 THR 17 0.143 12.664 -2.875 134 2HG2 THR 17 2HG2 THR 17 1.610 13.236 -3.706 135 3HG2 THR 17 3HG2 THR 17 0.254 12.574 -4.649 136 H GLN 18 H GLN 18 1.163 8.942 -5.879 137 HA GLN 18 HA GLN 18 1.086 6.285 -5.195 138 1HB GLN 18 1HB GLN 18 2.605 5.981 -7.196 139 2HB GLN 18 2HB GLN 18 1.176 6.945 -7.513 140 1HG GLN 18 1HG GLN 18 2.509 8.625 -8.241 141 2HG GLN 18 2HG GLN 18 3.141 8.796 -6.616 142 1HE2 GLN 18 1HE2 GLN 18 4.084 8.590 -9.641 143 2HE2 GLN 18 2HE2 GLN 18 5.577 7.718 -9.526 144 H GLY 19 H GLY 19 3.604 8.764 -4.704 145 1HA GLY 19 1HA GLY 19 5.701 6.943 -4.050 146 2HA GLY 19 2HA GLY 19 5.655 8.671 -3.762 147 H GLU 20 H GLU 20 3.243 8.834 -2.186 148 HA GLU 20 HA GLU 20 4.296 8.345 0.305 149 1HB GLU 20 1HB GLU 20 1.614 9.110 -0.789 150 2HB GLU 20 2HB GLU 20 1.642 8.527 0.863 151 1HG GLU 20 1HG GLU 20 3.544 10.202 1.306 152 2HG GLU 20 2HG GLU 20 3.222 10.872 -0.281 153 H LEU 21 H LEU 21 2.383 6.300 -1.876 154 HA LEU 21 HA LEU 21 1.291 4.489 -0.160 155 1HB LEU 21 1HB LEU 21 1.648 4.748 -2.882 156 2HB LEU 21 2HB LEU 21 2.524 3.275 -2.519 157 HG LEU 21 HG LEU 21 0.325 2.641 -3.124 158 1HD1 LEU 21 1HD1 LEU 21 -0.610 1.806 -0.833 159 2HD1 LEU 21 2HD1 LEU 21 0.946 1.193 -1.441 160 3HD1 LEU 21 3HD1 LEU 21 0.916 2.457 -0.188 161 1HD2 LEU 21 1HD2 LEU 21 -0.434 5.089 -1.764 162 2HD2 LEU 21 2HD2 LEU 21 -1.308 4.142 -2.992 163 3HD2 LEU 21 3HD2 LEU 21 -1.458 3.720 -1.269 164 H MET 22 H MET 22 4.700 4.750 -1.280 165 HA MET 22 HA MET 22 5.656 2.389 -0.389 166 1HB MET 22 1HB MET 22 7.105 3.917 -1.580 167 2HB MET 22 2HB MET 22 6.815 5.213 -0.437 168 1HG MET 22 1HG MET 22 8.275 4.316 1.174 169 2HG MET 22 2HG MET 22 8.066 2.671 0.608 170 1HE MET 22 1HE MET 22 8.519 2.656 -2.441 171 2HE MET 22 2HE MET 22 10.279 2.398 -2.495 172 3HE MET 22 3HE MET 22 9.296 1.569 -1.264 173 H LYS 23 H LYS 23 5.537 5.485 1.525 174 HA LYS 23 HA LYS 23 6.384 4.237 3.906 175 1HB LYS 23 1HB LYS 23 6.026 6.342 4.923 176 2HB LYS 23 2HB LYS 23 6.595 6.675 3.300 177 1HG LYS 23 1HG LYS 23 4.684 7.783 2.774 178 2HG LYS 23 2HG LYS 23 3.690 6.432 3.282 179 1HD LYS 23 1HD LYS 23 3.166 7.435 5.256 180 2HD LYS 23 2HD LYS 23 4.845 7.790 5.607 181 1HE LYS 23 1HE LYS 23 3.426 9.435 3.500 182 2HE LYS 23 2HE LYS 23 3.089 9.761 5.189 183 1HZ LYS 23 1HZ LYS 23 5.074 10.873 3.961 184 2HZ LYS 23 2HZ LYS 23 5.188 10.473 5.541 185 3HZ LYS 23 3HZ LYS 23 5.866 9.515 4.405 186 H LEU 24 H LEU 24 3.254 4.662 2.294 187 HA LEU 24 HA LEU 24 1.675 4.151 4.577 188 1HB LEU 24 1HB LEU 24 1.117 5.206 2.256 189 2HB LEU 24 2HB LEU 24 0.818 3.549 1.769 190 HG LEU 24 HG LEU 24 -0.578 5.023 4.020 191 1HD1 LEU 24 1HD1 LEU 24 -1.366 4.360 1.188 192 2HD1 LEU 24 2HD1 LEU 24 -2.584 4.625 2.459 193 3HD1 LEU 24 3HD1 LEU 24 -1.435 5.920 2.043 194 1HD2 LEU 24 1HD2 LEU 24 -0.370 2.177 3.404 195 2HD2 LEU 24 2HD2 LEU 24 -0.994 2.999 4.854 196 3HD2 LEU 24 3HD2 LEU 24 -2.053 2.754 3.445 197 H ILE 25 H ILE 25 3.199 2.108 2.046 198 HA ILE 25 HA ILE 25 1.908 -0.266 2.864 199 HB ILE 25 HB ILE 25 4.175 0.481 1.084 200 1HG1 ILE 25 1HG1 ILE 25 1.620 -1.112 0.730 201 2HG1 ILE 25 2HG1 ILE 25 1.897 0.544 0.227 202 1HG2 ILE 25 1HG2 ILE 25 4.017 -2.046 2.550 203 2HG2 ILE 25 2HG2 ILE 25 4.050 -2.255 0.783 204 3HG2 ILE 25 3HG2 ILE 25 5.347 -1.347 1.597 205 1HD1 ILE 25 1HD1 ILE 25 2.511 -0.365 -1.772 206 2HD1 ILE 25 2HD1 ILE 25 4.041 -0.765 -0.956 207 3HD1 ILE 25 3HD1 ILE 25 2.745 -1.981 -1.062 208 H LYS 26 H LYS 26 5.075 1.282 3.646 209 HA LYS 26 HA LYS 26 6.000 -0.824 5.244 210 1HB LYS 26 1HB LYS 26 7.828 0.469 5.496 211 2HB LYS 26 2HB LYS 26 7.099 1.413 4.213 212 1HG LYS 26 1HG LYS 26 7.540 3.065 5.824 213 2HG LYS 26 2HG LYS 26 5.861 2.688 6.156 214 1HD LYS 26 1HD LYS 26 6.386 2.040 8.263 215 2HD LYS 26 2HD LYS 26 7.492 0.829 7.646 216 1HE LYS 26 1HE LYS 26 9.353 2.154 7.978 217 2HE LYS 26 2HE LYS 26 8.522 3.626 7.519 218 1HZ LYS 26 1HZ LYS 26 8.364 2.238 10.097 219 2HZ LYS 26 2HZ LYS 26 8.934 3.741 9.805 220 3HZ LYS 26 3HZ LYS 26 7.334 3.435 9.679 221 H GLU 27 H GLU 27 3.912 2.018 5.882 222 HA GLU 27 HA GLU 27 3.984 1.885 8.629 223 1HB GLU 27 1HB GLU 27 2.901 3.617 6.943 224 2HB GLU 27 2HB GLU 27 1.458 2.643 7.147 225 1HG GLU 27 1HG GLU 27 2.896 3.395 9.667 226 2HG GLU 27 2HG GLU 27 2.124 4.711 8.805 227 H ILE 28 H ILE 28 2.079 0.051 6.212 228 HA ILE 28 HA ILE 28 0.311 -1.105 8.085 229 HB ILE 28 HB ILE 28 0.999 -1.424 5.229 230 1HG1 ILE 28 1HG1 ILE 28 -1.778 -1.750 6.071 231 2HG1 ILE 28 2HG1 ILE 28 -1.061 -0.292 6.728 232 1HG2 ILE 28 1HG2 ILE 28 -0.486 -3.626 6.685 233 2HG2 ILE 28 2HG2 ILE 28 -0.123 -3.525 4.945 234 3HG2 ILE 28 3HG2 ILE 28 1.198 -3.745 6.118 235 1HD1 ILE 28 1HD1 ILE 28 -2.139 -0.074 4.406 236 2HD1 ILE 28 2HD1 ILE 28 -0.474 0.538 4.550 237 3HD1 ILE 28 3HD1 ILE 28 -0.778 -1.043 3.791 238 H VAL 29 H VAL 29 3.531 -1.983 6.768 239 HA VAL 29 HA VAL 29 3.504 -4.529 8.087 240 HB VAL 29 HB VAL 29 5.995 -3.234 7.082 241 1HG1 VAL 29 1HG1 VAL 29 6.583 -5.427 6.424 242 2HG1 VAL 29 2HG1 VAL 29 5.785 -5.612 8.004 243 3HG1 VAL 29 3HG1 VAL 29 4.898 -5.996 6.509 244 1HG2 VAL 29 1HG2 VAL 29 4.981 -2.578 5.179 245 2HG2 VAL 29 2HG2 VAL 29 4.984 -4.312 4.775 246 3HG2 VAL 29 3HG2 VAL 29 3.534 -3.567 5.489 247 H GLU 30 H GLU 30 3.473 -1.509 9.327 248 HA GLU 30 HA GLU 30 5.712 -1.355 10.915 249 1HB GLU 30 1HB GLU 30 4.049 0.479 10.529 250 2HB GLU 30 2HB GLU 30 2.893 -0.367 11.538 251 1HG GLU 30 1HG GLU 30 5.353 -0.205 13.022 252 2HG GLU 30 2HG GLU 30 5.051 1.384 12.350 253 H ASN 31 H ASN 31 2.796 -3.340 11.177 254 HA ASN 31 HA ASN 31 4.016 -4.688 13.393 255 1HB ASN 31 1HB ASN 31 1.973 -4.590 14.807 256 2HB ASN 31 2HB ASN 31 2.580 -2.973 14.509 257 1HD2 ASN 31 1HD2 ASN 31 -0.116 -4.776 14.667 258 2HD2 ASN 31 2HD2 ASN 31 -1.188 -3.907 13.620 259 H GLU 32 H GLU 32 4.009 -5.922 11.093 260 HA GLU 32 HA GLU 32 1.610 -6.914 10.125 261 1HB GLU 32 1HB GLU 32 2.960 -8.370 8.770 262 2HB GLU 32 2HB GLU 32 3.858 -6.875 8.944 263 1HG GLU 32 1HG GLU 32 5.594 -7.981 9.892 264 2HG GLU 32 2HG GLU 32 4.553 -8.591 11.163 265 H ASP 33 H ASP 33 2.264 -9.798 9.981 266 HA ASP 33 HA ASP 33 2.307 -10.681 12.691 267 1HB ASP 33 1HB ASP 33 -0.170 -9.997 11.816 268 2HB ASP 33 2HB ASP 33 -0.098 -11.612 11.139 269 H LYS 34 H LYS 34 2.581 -13.075 12.761 270 HA LYS 34 HA LYS 34 3.808 -14.064 10.372 271 1HB LYS 34 1HB LYS 34 3.378 -15.252 13.126 272 2HB LYS 34 2HB LYS 34 4.214 -16.084 11.831 273 1HG LYS 34 1HG LYS 34 5.620 -13.819 11.686 274 2HG LYS 34 2HG LYS 34 5.043 -13.587 13.324 275 1HD LYS 34 1HD LYS 34 6.001 -15.752 14.020 276 2HD LYS 34 2HD LYS 34 6.468 -16.114 12.370 277 1HE LYS 34 1HE LYS 34 7.493 -13.681 13.907 278 2HE LYS 34 2HE LYS 34 8.345 -15.211 13.849 279 1HZ LYS 34 1HZ LYS 34 8.016 -13.241 11.789 280 2HZ LYS 34 2HZ LYS 34 9.249 -14.279 12.052 281 3HZ LYS 34 3HZ LYS 34 7.902 -14.789 11.282 282 H ARG 35 H ARG 35 0.848 -14.774 12.316 283 HA ARG 35 HA ARG 35 0.091 -16.856 10.574 284 1HB ARG 35 1HB ARG 35 -2.027 -16.845 11.881 285 2HB ARG 35 2HB ARG 35 -0.638 -16.787 12.948 286 1HG ARG 35 1HG ARG 35 -0.982 -14.520 13.508 287 2HG ARG 35 2HG ARG 35 -1.871 -14.180 12.037 288 1HD ARG 35 1HD ARG 35 -3.746 -14.373 13.329 289 2HD ARG 35 2HD ARG 35 -3.488 -16.103 13.217 290 HE ARG 35 HE ARG 35 -2.668 -16.128 15.434 291 1HH1 ARG 35 1HH1 ARG 35 -3.071 -12.816 14.315 292 2HH1 ARG 35 2HH1 ARG 35 -2.861 -12.123 15.888 293 1HH2 ARG 35 1HH2 ARG 35 -2.390 -15.214 17.510 294 2HH2 ARG 35 2HH2 ARG 35 -2.470 -13.497 17.718 295 H LYS 36 H LYS 36 0.171 -13.497 10.223 296 HA LYS 36 HA LYS 36 -1.387 -13.573 7.867 297 1HB LYS 36 1HB LYS 36 -3.190 -13.518 9.627 298 2HB LYS 36 2HB LYS 36 -2.587 -11.951 10.129 299 1HG LYS 36 1HG LYS 36 -3.025 -10.996 7.915 300 2HG LYS 36 2HG LYS 36 -3.421 -12.572 7.259 301 1HD LYS 36 1HD LYS 36 -5.129 -12.328 9.487 302 2HD LYS 36 2HD LYS 36 -5.109 -10.716 8.801 303 1HE LYS 36 1HE LYS 36 -5.304 -12.574 6.608 304 2HE LYS 36 2HE LYS 36 -6.473 -13.070 7.816 305 1HZ LYS 36 1HZ LYS 36 -7.132 -11.301 6.143 306 2HZ LYS 36 2HZ LYS 36 -7.530 -11.046 7.706 307 3HZ LYS 36 3HZ LYS 36 -6.257 -10.261 7.049 308 HA PRO 37 HA PRO 37 1.857 -10.434 8.274 309 1HB PRO 37 1HB PRO 37 3.504 -11.331 6.286 310 2HB PRO 37 2HB PRO 37 3.724 -11.748 7.974 311 1HG PRO 37 1HG PRO 37 2.662 -13.416 5.776 312 2HG PRO 37 2HG PRO 37 3.281 -13.920 7.336 313 1HD PRO 37 1HD PRO 37 0.526 -13.762 6.551 314 2HD PRO 37 2HD PRO 37 1.141 -14.154 8.145 315 H TYR 38 H TYR 38 2.451 -8.631 6.909 316 HA TYR 38 HA TYR 38 0.299 -8.194 5.030 317 1HB TYR 38 1HB TYR 38 2.685 -6.643 6.193 318 2HB TYR 38 2HB TYR 38 1.664 -5.928 4.961 319 HD1 TYR 38 HD1 TYR 38 -1.008 -6.262 5.582 320 HD2 TYR 38 HD2 TYR 38 2.235 -5.968 8.357 321 HE1 TYR 38 HE1 TYR 38 -2.614 -5.463 7.384 322 HE2 TYR 38 HE2 TYR 38 0.618 -5.171 10.150 323 HH TYR 38 HH TYR 38 -1.797 -3.881 9.950 324 H SER 39 H SER 39 1.327 -10.129 3.714 325 HA SER 39 HA SER 39 3.701 -9.565 2.334 326 1HB SER 39 1HB SER 39 3.121 -11.855 2.499 327 2HB SER 39 2HB SER 39 1.460 -11.574 2.015 328 HG SER 39 HG SER 39 2.959 -12.558 0.366 329 H ASP 40 H ASP 40 3.326 -9.945 -0.354 330 HA ASP 40 HA ASP 40 2.517 -7.467 -1.208 331 1HB ASP 40 1HB ASP 40 2.421 -8.704 -3.522 332 2HB ASP 40 2HB ASP 40 3.954 -8.600 -2.680 333 H GLN 41 H GLN 41 0.833 -10.645 -1.004 334 HA GLN 41 HA GLN 41 -1.397 -9.894 -2.501 335 1HB GLN 41 1HB GLN 41 -1.702 -12.119 -2.292 336 2HB GLN 41 2HB GLN 41 -0.469 -12.200 -1.050 337 1HG GLN 41 1HG GLN 41 -2.509 -13.040 -0.064 338 2HG GLN 41 2HG GLN 41 -2.214 -11.465 0.647 339 1HE2 GLN 41 1HE2 GLN 41 -4.343 -11.127 1.160 340 2HE2 GLN 41 2HE2 GLN 41 -5.573 -10.770 -0.006 341 H GLU 42 H GLU 42 -0.688 -9.891 1.048 342 HA GLU 42 HA GLU 42 -3.232 -9.055 1.796 343 1HB GLU 42 1HB GLU 42 -1.055 -9.957 3.136 344 2HB GLU 42 2HB GLU 42 -0.866 -8.244 3.452 345 1HG GLU 42 1HG GLU 42 -2.979 -8.084 4.556 346 2HG GLU 42 2HG GLU 42 -3.559 -9.586 3.865 347 H ILE 43 H ILE 43 -0.164 -7.100 1.953 348 HA ILE 43 HA ILE 43 -1.226 -4.665 2.329 349 HB ILE 43 HB ILE 43 1.221 -5.750 1.178 350 1HG1 ILE 43 1HG1 ILE 43 1.047 -3.183 2.706 351 2HG1 ILE 43 2HG1 ILE 43 0.577 -4.662 3.520 352 1HG2 ILE 43 1HG2 ILE 43 2.008 -3.792 0.049 353 2HG2 ILE 43 2HG2 ILE 43 0.473 -4.285 -0.703 354 3HG2 ILE 43 3HG2 ILE 43 0.510 -2.906 0.421 355 1HD1 ILE 43 1HD1 ILE 43 3.272 -3.833 2.481 356 2HD1 ILE 43 2HD1 ILE 43 2.849 -4.692 3.982 357 3HD1 ILE 43 3HD1 ILE 43 2.869 -5.567 2.432 358 H ALA 44 H ALA 44 -0.914 -6.380 -0.838 359 HA ALA 44 HA ALA 44 -1.873 -4.315 -2.423 360 1HB ALA 44 1HB ALA 44 -0.779 -6.240 -3.377 361 2HB ALA 44 2HB ALA 44 -1.996 -7.342 -2.691 362 3HB ALA 44 3HB ALA 44 -2.448 -6.216 -3.993 363 H ASN 45 H ASN 45 -3.594 -6.958 -0.653 364 HA ASN 45 HA ASN 45 -6.104 -6.243 -1.638 365 1HB ASN 45 1HB ASN 45 -5.028 -7.958 0.594 366 2HB ASN 45 2HB ASN 45 -6.710 -7.483 0.722 367 1HD2 ASN 45 1HD2 ASN 45 -4.304 -9.047 -1.313 368 2HD2 ASN 45 2HD2 ASN 45 -5.381 -10.039 -2.238 369 H ILE 46 H ILE 46 -3.993 -5.077 0.953 370 HA ILE 46 HA ILE 46 -5.935 -3.921 2.609 371 HB ILE 46 HB ILE 46 -3.019 -3.875 2.285 372 1HG1 ILE 46 1HG1 ILE 46 -4.922 -3.931 4.643 373 2HG1 ILE 46 2HG1 ILE 46 -4.093 -5.297 3.923 374 1HG2 ILE 46 1HG2 ILE 46 -3.209 -1.525 2.132 375 2HG2 ILE 46 2HG2 ILE 46 -4.487 -1.467 3.370 376 3HG2 ILE 46 3HG2 ILE 46 -2.817 -1.875 3.833 377 1HD1 ILE 46 1HD1 ILE 46 -1.989 -3.549 4.458 378 2HD1 ILE 46 2HD1 ILE 46 -3.085 -3.289 5.837 379 3HD1 ILE 46 3HD1 ILE 46 -2.476 -4.923 5.481 380 H LEU 47 H LEU 47 -4.106 -2.718 -0.255 381 HA LEU 47 HA LEU 47 -4.798 -0.085 -0.171 382 1HB LEU 47 1HB LEU 47 -4.132 0.024 -2.355 383 2HB LEU 47 2HB LEU 47 -3.317 -1.421 -1.791 384 HG LEU 47 HG LEU 47 -5.557 -2.560 -2.765 385 1HD1 LEU 47 1HD1 LEU 47 -5.394 0.129 -4.015 386 2HD1 LEU 47 2HD1 LEU 47 -5.706 -1.247 -5.102 387 3HD1 LEU 47 3HD1 LEU 47 -6.796 -0.931 -3.730 388 1HD2 LEU 47 1HD2 LEU 47 -3.533 -1.915 -4.841 389 2HD2 LEU 47 2HD2 LEU 47 -2.939 -2.671 -3.343 390 3HD2 LEU 47 3HD2 LEU 47 -4.190 -3.483 -4.314 391 H LYS 48 H LYS 48 -6.787 -2.907 -1.126 392 HA LYS 48 HA LYS 48 -8.883 -1.513 -2.290 393 1HB LYS 48 1HB LYS 48 -8.321 -4.201 -1.361 394 2HB LYS 48 2HB LYS 48 -9.971 -3.754 -0.979 395 1HG LYS 48 1HG LYS 48 -8.941 -3.057 -3.724 396 2HG LYS 48 2HG LYS 48 -9.282 -4.743 -3.392 397 1HD LYS 48 1HD LYS 48 -11.547 -3.605 -2.354 398 2HD LYS 48 2HD LYS 48 -11.169 -2.427 -3.595 399 1HE LYS 48 1HE LYS 48 -11.909 -3.821 -5.227 400 2HE LYS 48 2HE LYS 48 -10.824 -5.092 -4.700 401 1HZ LYS 48 1HZ LYS 48 -13.248 -5.581 -4.566 402 2HZ LYS 48 2HZ LYS 48 -12.411 -5.864 -3.192 403 3HZ LYS 48 3HZ LYS 48 -13.347 -4.532 -3.318 404 H GLU 49 H GLU 49 -7.950 -1.990 1.107 405 HA GLU 49 HA GLU 49 -10.142 -1.619 2.496 406 1HB GLU 49 1HB GLU 49 -7.428 -0.304 2.811 407 2HB GLU 49 2HB GLU 49 -8.694 -0.017 3.988 408 1HG GLU 49 1HG GLU 49 -8.927 -2.629 4.071 409 2HG GLU 49 2HG GLU 49 -7.371 -2.656 3.266 410 H LYS 50 H LYS 50 -8.605 0.842 0.409 411 HA LYS 50 HA LYS 50 -11.051 2.341 0.418 412 1HB LYS 50 1HB LYS 50 -9.795 3.134 2.472 413 2HB LYS 50 2HB LYS 50 -8.553 3.744 1.398 414 1HG LYS 50 1HG LYS 50 -9.820 5.652 1.381 415 2HG LYS 50 2HG LYS 50 -10.779 4.798 0.188 416 1HD LYS 50 1HD LYS 50 -12.450 4.194 1.762 417 2HD LYS 50 2HD LYS 50 -11.380 4.409 3.133 418 1HE LYS 50 1HE LYS 50 -11.321 6.951 2.251 419 2HE LYS 50 2HE LYS 50 -12.851 6.499 1.526 420 1HZ LYS 50 1HZ LYS 50 -12.310 7.069 4.197 421 2HZ LYS 50 2HZ LYS 50 -13.754 6.760 3.498 422 3HZ LYS 50 3HZ LYS 50 -12.862 5.535 4.106 423 H GLY 51 H GLY 51 -9.137 0.723 -1.331 424 1HA GLY 51 1HA GLY 51 -8.318 0.821 -3.421 425 2HA GLY 51 2HA GLY 51 -9.402 2.174 -3.678 426 H PHE 52 H PHE 52 -6.267 1.446 -1.976 427 HA PHE 52 HA PHE 52 -5.414 4.165 -2.373 428 1HB PHE 52 1HB PHE 52 -4.326 1.572 -1.163 429 2HB PHE 52 2HB PHE 52 -3.263 2.952 -1.349 430 HD1 PHE 52 HD1 PHE 52 -3.287 2.268 1.255 431 HD2 PHE 52 HD2 PHE 52 -6.415 4.284 -0.785 432 HE1 PHE 52 HE1 PHE 52 -4.111 3.197 3.436 433 HE2 PHE 52 HE2 PHE 52 -7.239 5.213 1.397 434 HZ PHE 52 HZ PHE 52 -6.077 4.658 3.481 435 H LYS 53 H LYS 53 -5.974 2.554 -4.806 436 HA LYS 53 HA LYS 53 -5.093 2.208 -6.799 437 1HB LYS 53 1HB LYS 53 -4.207 4.499 -6.480 438 2HB LYS 53 2HB LYS 53 -2.740 3.835 -5.790 439 1HG LYS 53 1HG LYS 53 -2.838 2.390 -8.111 440 2HG LYS 53 2HG LYS 53 -3.669 3.840 -8.640 441 1HD LYS 53 1HD LYS 53 -1.788 5.247 -8.101 442 2HD LYS 53 2HD LYS 53 -1.019 3.993 -7.148 443 1HE LYS 53 1HE LYS 53 0.148 4.083 -9.267 444 2HE LYS 53 2HE LYS 53 -0.792 2.604 -9.267 445 1HZ LYS 53 1HZ LYS 53 -2.373 3.566 -10.657 446 2HZ LYS 53 2HZ LYS 53 -1.836 5.089 -10.414 447 3HZ LYS 53 3HZ LYS 53 -0.945 4.039 -11.291 448 H VAL 54 H VAL 54 -1.739 2.231 -6.286 449 HA VAL 54 HA VAL 54 -0.240 0.602 -6.392 450 HB VAL 54 HB VAL 54 -1.633 -1.111 -4.436 451 1HG1 VAL 54 1HG1 VAL 54 1.004 0.345 -4.157 452 2HG1 VAL 54 2HG1 VAL 54 0.477 -1.165 -3.376 453 3HG1 VAL 54 3HG1 VAL 54 0.836 -1.143 -5.119 454 1HG2 VAL 54 1HG2 VAL 54 -2.628 0.792 -3.542 455 2HG2 VAL 54 2HG2 VAL 54 -1.100 0.699 -2.633 456 3HG2 VAL 54 3HG2 VAL 54 -1.262 1.844 -3.987 457 H ALA 55 H ALA 55 -0.505 -2.260 -5.950 458 HA ALA 55 HA ALA 55 -2.460 -3.626 -7.117 459 1HB ALA 55 1HB ALA 55 -1.450 -3.687 -9.595 460 2HB ALA 55 2HB ALA 55 -2.699 -2.511 -9.121 461 3HB ALA 55 3HB ALA 55 -0.989 -2.019 -9.178 462 H ARG 56 H ARG 56 -1.843 -5.818 -7.525 463 HA ARG 56 HA ARG 56 0.053 -6.885 -6.138 464 1HB ARG 56 1HB ARG 56 0.320 -8.528 -8.323 465 2HB ARG 56 2HB ARG 56 -1.058 -8.573 -7.241 466 1HG ARG 56 1HG ARG 56 -2.425 -7.300 -8.711 467 2HG ARG 56 2HG ARG 56 -1.052 -6.640 -9.577 468 1HD ARG 56 1HD ARG 56 -1.122 -8.342 -11.078 469 2HD ARG 56 2HD ARG 56 -0.959 -9.528 -9.798 470 HE ARG 56 HE ARG 56 -3.628 -8.699 -9.654 471 1HH1 ARG 56 1HH1 ARG 56 -1.565 -10.134 -12.117 472 2HH1 ARG 56 2HH1 ARG 56 -2.867 -10.955 -12.912 473 1HH2 ARG 56 1HH2 ARG 56 -5.347 -9.782 -10.702 474 2HH2 ARG 56 2HH2 ARG 56 -5.033 -10.753 -12.101 475 H ARG 57 H ARG 57 0.580 -5.592 -9.484 476 HA ARG 57 HA ARG 57 3.227 -6.325 -9.666 477 1HB ARG 57 1HB ARG 57 1.834 -5.549 -11.588 478 2HB ARG 57 2HB ARG 57 1.787 -3.931 -10.917 479 1HG ARG 57 1HG ARG 57 3.516 -3.892 -12.581 480 2HG ARG 57 2HG ARG 57 4.346 -3.906 -11.038 481 1HD ARG 57 1HD ARG 57 5.371 -5.877 -11.527 482 2HD ARG 57 2HD ARG 57 3.839 -6.648 -11.886 483 HE ARG 57 HE ARG 57 4.273 -6.355 -14.159 484 1HH1 ARG 57 1HH1 ARG 57 6.210 -4.051 -12.337 485 2HH1 ARG 57 2HH1 ARG 57 7.058 -3.467 -13.730 486 1HH2 ARG 57 1HH2 ARG 57 5.392 -5.586 -15.998 487 2HH2 ARG 57 2HH2 ARG 57 6.589 -4.346 -15.827 488 H THR 58 H THR 58 1.722 -3.145 -8.729 489 HA THR 58 HA THR 58 4.135 -1.851 -8.145 490 HB THR 58 HB THR 58 1.202 -1.485 -7.421 491 HG1 THR 58 HG1 THR 58 2.335 -1.011 -9.563 492 1HG2 THR 58 1HG2 THR 58 1.627 0.391 -6.109 493 2HG2 THR 58 2HG2 THR 58 3.077 -0.544 -5.673 494 3HG2 THR 58 3HG2 THR 58 3.177 0.725 -6.918 495 H VAL 59 H VAL 59 1.909 -3.790 -6.075 496 HA VAL 59 HA VAL 59 3.230 -3.283 -3.680 497 HB VAL 59 HB VAL 59 1.871 -5.876 -4.379 498 1HG1 VAL 59 1HG1 VAL 59 2.784 -5.778 -2.149 499 2HG1 VAL 59 2HG1 VAL 59 2.038 -4.188 -1.862 500 3HG1 VAL 59 3HG1 VAL 59 1.013 -5.632 -2.040 501 1HG2 VAL 59 1HG2 VAL 59 0.042 -4.781 -5.042 502 2HG2 VAL 59 2HG2 VAL 59 -0.094 -4.131 -3.390 503 3HG2 VAL 59 3HG2 VAL 59 0.769 -3.206 -4.643 504 H ALA 60 H ALA 60 3.751 -5.770 -6.241 505 HA ALA 60 HA ALA 60 5.669 -7.251 -4.873 506 1HB ALA 60 1HB ALA 60 4.785 -6.847 -7.698 507 2HB ALA 60 2HB ALA 60 6.382 -7.594 -7.453 508 3HB ALA 60 3HB ALA 60 4.931 -8.345 -6.749 509 H LYS 61 H LYS 61 5.929 -4.335 -6.989 510 HA LYS 61 HA LYS 61 8.735 -4.270 -6.976 511 1HB LYS 61 1HB LYS 61 6.524 -2.656 -7.960 512 2HB LYS 61 2HB LYS 61 7.807 -1.647 -7.324 513 1HG LYS 61 1HG LYS 61 9.427 -2.528 -8.827 514 2HG LYS 61 2HG LYS 61 8.491 -3.975 -9.143 515 1HD LYS 61 1HD LYS 61 7.751 -2.931 -11.023 516 2HD LYS 61 2HD LYS 61 6.752 -1.953 -9.967 517 1HE LYS 61 1HE LYS 61 7.943 -0.098 -10.500 518 2HE LYS 61 2HE LYS 61 9.420 -0.847 -9.927 519 1HZ LYS 61 1HZ LYS 61 8.276 -1.296 -12.596 520 2HZ LYS 61 2HZ LYS 61 9.487 -0.250 -12.273 521 3HZ LYS 61 3HZ LYS 61 9.712 -1.852 -12.054 522 H TYR 62 H TYR 62 6.212 -2.828 -4.847 523 HA TYR 62 HA TYR 62 7.969 -1.270 -3.322 524 1HB TYR 62 1HB TYR 62 5.214 -2.531 -3.167 525 2HB TYR 62 2HB TYR 62 5.880 -1.967 -1.647 526 HD1 TYR 62 HD1 TYR 62 3.455 -1.007 -3.541 527 HD2 TYR 62 HD2 TYR 62 7.361 0.477 -2.621 528 HE1 TYR 62 HE1 TYR 62 2.690 1.357 -4.077 529 HE2 TYR 62 HE2 TYR 62 6.583 2.837 -3.161 530 HH TYR 62 HH TYR 62 3.316 3.419 -4.398 531 H ARG 63 H ARG 63 6.827 -4.678 -3.002 532 HA ARG 63 HA ARG 63 7.674 -5.213 -0.514 533 1HB ARG 63 1HB ARG 63 6.796 -6.696 -2.715 534 2HB ARG 63 2HB ARG 63 8.402 -7.346 -2.450 535 1HG ARG 63 1HG ARG 63 7.223 -7.089 0.140 536 2HG ARG 63 2HG ARG 63 5.980 -7.772 -0.889 537 1HD ARG 63 1HD ARG 63 7.001 -9.788 -0.636 538 2HD ARG 63 2HD ARG 63 8.304 -9.180 -1.638 539 HE ARG 63 HE ARG 63 9.626 -8.826 0.289 540 1HH1 ARG 63 1HH1 ARG 63 6.326 -9.638 1.201 541 2HH1 ARG 63 2HH1 ARG 63 6.712 -9.881 2.872 542 1HH2 ARG 63 1HH2 ARG 63 10.136 -9.148 2.493 543 2HH2 ARG 63 2HH2 ARG 63 8.894 -9.601 3.612 544 H GLU 64 H GLU 64 9.618 -5.085 -3.551 545 HA GLU 64 HA GLU 64 11.967 -6.020 -2.319 546 1HB GLU 64 1HB GLU 64 11.168 -5.760 -4.897 547 2HB GLU 64 2HB GLU 64 12.123 -4.295 -4.770 548 1HG GLU 64 1HG GLU 64 13.468 -6.642 -3.569 549 2HG GLU 64 2HG GLU 64 13.121 -6.860 -5.273 550 H MET 65 H MET 65 10.549 -2.786 -2.992 551 HA MET 65 HA MET 65 12.848 -1.362 -2.275 552 1HB MET 65 1HB MET 65 9.874 -0.602 -2.281 553 2HB MET 65 2HB MET 65 11.172 0.563 -2.110 554 1HG MET 65 1HG MET 65 12.101 -0.218 -4.340 555 2HG MET 65 2HG MET 65 10.709 -1.268 -4.514 556 1HE MET 65 1HE MET 65 9.289 -0.766 -6.042 557 2HE MET 65 2HE MET 65 8.034 -0.125 -4.955 558 3HE MET 65 3HE MET 65 8.476 0.769 -6.429 559 H LEU 66 H LEU 66 9.992 -2.567 -0.462 560 HA LEU 66 HA LEU 66 10.465 -1.118 1.886 561 1HB LEU 66 1HB LEU 66 8.904 -3.541 1.117 562 2HB LEU 66 2HB LEU 66 9.165 -3.228 2.821 563 HG LEU 66 HG LEU 66 7.065 -2.292 2.275 564 1HD1 LEU 66 1HD1 LEU 66 9.087 -0.769 3.350 565 2HD1 LEU 66 2HD1 LEU 66 8.419 0.300 2.093 566 3HD1 LEU 66 3HD1 LEU 66 7.355 -0.360 3.358 567 1HD2 LEU 66 1HD2 LEU 66 7.096 -2.231 -0.093 568 2HD2 LEU 66 2HD2 LEU 66 6.828 -0.558 0.452 569 3HD2 LEU 66 3HD2 LEU 66 8.437 -1.061 -0.121 570 H GLY 67 H GLY 67 11.199 -4.604 1.141 571 1HA GLY 67 1HA GLY 67 13.755 -4.859 1.725 572 2HA GLY 67 2HA GLY 67 13.124 -4.615 3.341
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