NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
21654 | 2hug | 7241 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 9.121 2.585 -6.701 2 H2 GLY 1 2H GLY 1 8.932 4.250 -6.472 3 H3 GLY 1 3H GLY 1 9.137 3.231 -5.138 4 HA2 GLY 1 1HA GLY 1 11.378 2.725 -5.763 5 HA3 GLY 1 2HA GLY 1 11.175 3.623 -7.259 6 H SER 2 HN SER 2 9.948 4.676 -4.136 7 HA SER 2 HA SER 2 12.056 6.263 -3.277 8 HG SER 2 HG SER 2 9.961 8.467 -5.964 9 HB2 SER 2 2HB SER 2 11.355 8.512 -4.028 10 HB3 SER 2 1HB SER 2 11.861 7.487 -5.369 11 H GLN 3 HN GLN 3 8.589 5.920 -3.615 12 HA GLN 3 HA GLN 3 8.067 7.328 -1.152 13 HB2 GLN 3 2HB GLN 3 5.778 7.080 -1.687 14 HB3 GLN 3 1HB GLN 3 6.590 7.323 -3.227 15 HG2 GLN 3 2HG GLN 3 5.934 4.585 -2.197 16 HG3 GLN 3 1HG GLN 3 4.791 5.542 -3.136 17 HE21 GLN 3 2HE2 GLN 3 7.012 3.242 -5.209 18 HE22 GLN 3 1HE2 GLN 3 6.245 2.994 -3.682 19 H VAL 4 HN VAL 4 7.611 6.404 0.794 20 HA VAL 4 HA VAL 4 8.284 3.586 1.041 21 HB VAL 4 HB VAL 4 7.624 5.297 3.398 22 HG11 VAL 4 1HG1 VAL 4 8.095 2.886 3.641 23 HG12 VAL 4 2HG1 VAL 4 9.249 3.903 4.504 24 HG13 VAL 4 3HG1 VAL 4 9.702 3.159 2.970 25 HG21 VAL 4 3HG2 VAL 4 10.029 5.997 3.466 26 HG22 VAL 4 1HG2 VAL 4 9.075 6.759 2.193 27 HG23 VAL 4 2HG2 VAL 4 10.173 5.437 1.800 28 H PHE 5 HN PHE 5 5.884 3.809 -0.211 29 HA PHE 5 HA PHE 5 4.226 2.148 1.237 30 HD1 PHE 5 HD1 PHE 5 4.869 5.581 3.526 31 HD2 PHE 5 HD2 PHE 5 2.591 5.726 -0.065 32 HE1 PHE 5 HE1 PHE 5 5.341 7.988 3.329 33 HE2 PHE 5 HE2 PHE 5 3.056 8.133 -0.270 34 HZ PHE 5 HZ PHE 5 4.435 9.266 1.429 35 HB2 PHE 5 2HB PHE 5 2.361 3.877 1.728 36 HB3 PHE 5 1HB PHE 5 3.688 3.712 2.860 37 H GLU 6 HN GLU 6 2.237 1.670 0.189 38 HA GLU 6 HA GLU 6 1.731 3.047 -2.357 39 HB2 GLU 6 2HB GLU 6 2.528 0.260 -1.946 40 HB3 GLU 6 1HB GLU 6 1.083 0.441 -2.928 41 HG2 GLU 6 2HG GLU 6 3.230 0.363 -4.197 42 HG3 GLU 6 1HG GLU 6 2.212 1.768 -4.518 43 H TYR 7 HN TYR 7 -0.386 3.196 -2.983 44 HA TYR 7 HA TYR 7 -2.377 2.597 -0.957 45 HD1 TYR 7 HD1 TYR 7 -0.820 5.656 -3.408 46 HD2 TYR 7 HD2 TYR 7 -3.896 3.077 -4.814 47 HE1 TYR 7 HE1 TYR 7 -0.210 6.201 -5.726 48 HE2 TYR 7 HE2 TYR 7 -3.297 3.616 -7.137 49 HH TYR 7 HH TYR 7 -0.421 5.285 -7.951 50 HB2 TYR 7 2HB TYR 7 -3.836 3.937 -2.441 51 HB3 TYR 7 1HB TYR 7 -2.422 4.803 -1.896 52 H ALA 8 HN ALA 8 -3.570 0.854 -0.982 53 HA ALA 8 HA ALA 8 -3.882 -0.586 -3.531 54 HB1 ALA 8 3HB ALA 8 -3.871 -2.551 -2.398 55 HB2 ALA 8 1HB ALA 8 -4.635 -1.868 -0.967 56 HB3 ALA 8 2HB ALA 8 -2.918 -1.598 -1.264 57 H GLU 9 HN GLU 9 -5.508 1.515 -3.508 58 HA GLU 9 HA GLU 9 -8.069 0.534 -2.502 59 HB2 GLU 9 2HB GLU 9 -8.879 2.680 -2.351 60 HB3 GLU 9 1HB GLU 9 -7.228 2.818 -1.796 61 HG2 GLU 9 2HG GLU 9 -8.353 3.622 -4.459 62 HG3 GLU 9 1HG GLU 9 -7.761 4.683 -3.190 63 H VAL 10 HN VAL 10 -9.941 1.509 -3.753 64 HA VAL 10 HA VAL 10 -9.571 0.577 -6.453 65 HB VAL 10 HB VAL 10 -12.072 0.760 -4.865 66 HG11 VAL 10 1HG1 VAL 10 -11.789 -0.810 -7.387 67 HG12 VAL 10 2HG1 VAL 10 -12.136 0.915 -7.465 68 HG13 VAL 10 3HG1 VAL 10 -13.249 -0.168 -6.633 69 HG21 VAL 10 3HG2 VAL 10 -10.913 -0.948 -3.857 70 HG22 VAL 10 1HG2 VAL 10 -10.119 -1.425 -5.358 71 HG23 VAL 10 2HG2 VAL 10 -11.815 -1.818 -5.100 72 H ASP 11 HN ASP 11 -10.426 3.310 -4.611 73 HA ASP 11 HA ASP 11 -10.481 4.927 -7.009 74 HB2 ASP 11 2HB ASP 11 -12.790 4.581 -6.965 75 HB3 ASP 11 1HB ASP 11 -12.879 4.614 -5.212 76 H GLU 12 HN GLU 12 -10.580 4.779 -3.475 77 HA GLU 12 HA GLU 12 -8.768 7.041 -3.362 78 HB2 GLU 12 2HB GLU 12 -11.532 7.171 -2.170 79 HB3 GLU 12 1HB GLU 12 -10.222 8.232 -1.671 80 HG2 GLU 12 2HG GLU 12 -10.044 9.064 -3.974 81 HG3 GLU 12 1HG GLU 12 -11.391 8.025 -4.437 82 H ILE 13 HN ILE 13 -7.974 7.477 -1.155 83 HA ILE 13 HA ILE 13 -8.219 5.168 0.663 84 HB ILE 13 HB ILE 13 -5.799 5.224 1.137 85 HG12 ILE 13 2HG1 ILE 13 -5.597 7.708 0.597 86 HG13 ILE 13 1HG1 ILE 13 -4.292 6.701 -0.013 87 HG21 ILE 13 1HG2 ILE 13 -6.891 4.671 -1.508 88 HG22 ILE 13 2HG2 ILE 13 -5.885 3.672 -0.461 89 HG23 ILE 13 3HG2 ILE 13 -5.150 4.904 -1.485 90 HD11 ILE 13 3HD1 ILE 13 -6.064 8.427 -1.438 91 HD12 ILE 13 1HD1 ILE 13 -6.223 6.776 -2.041 92 HD13 ILE 13 2HD1 ILE 13 -4.642 7.560 -2.018 93 H VAL 14 HN VAL 14 -6.577 6.072 2.697 94 HA VAL 14 HA VAL 14 -7.252 8.832 3.291 95 HB VAL 14 HB VAL 14 -8.300 6.558 4.984 96 HG11 VAL 14 1HG1 VAL 14 -9.130 8.293 6.518 97 HG12 VAL 14 2HG1 VAL 14 -8.277 9.518 5.580 98 HG13 VAL 14 3HG1 VAL 14 -7.369 8.273 6.438 99 HG21 VAL 14 3HG2 VAL 14 -10.473 7.490 4.545 100 HG22 VAL 14 1HG2 VAL 14 -9.652 7.225 3.009 101 HG23 VAL 14 2HG2 VAL 14 -9.760 8.851 3.678 102 H GLU 15 HN GLU 15 -5.945 5.814 4.620 103 HA GLU 15 HA GLU 15 -3.943 7.359 6.101 104 HB2 GLU 15 2HB GLU 15 -5.155 5.667 7.375 105 HB3 GLU 15 1HB GLU 15 -4.670 4.427 6.226 106 HG2 GLU 15 2HG GLU 15 -2.365 4.661 6.872 107 HG3 GLU 15 1HG GLU 15 -2.766 6.015 7.929 108 H LYS 16 HN LYS 16 -1.722 7.033 5.812 109 HA LYS 16 HA LYS 16 -0.834 5.170 3.780 110 HB2 LYS 16 2HB LYS 16 0.386 7.029 2.548 111 HB3 LYS 16 1HB LYS 16 -1.358 6.962 2.328 112 HG2 LYS 16 2HG LYS 16 -1.643 8.767 3.932 113 HG3 LYS 16 1HG LYS 16 0.102 8.820 4.194 114 HD2 LYS 16 2HD LYS 16 0.495 9.548 1.960 115 HD3 LYS 16 1HD LYS 16 -1.180 9.236 1.499 116 HE2 LYS 16 2HE LYS 16 -0.304 11.283 3.532 117 HE3 LYS 16 1HE LYS 16 -0.686 11.640 1.849 118 HZ1 LYS 16 3HZ LYS 16 -2.565 10.495 3.845 119 HZ2 LYS 16 1HZ LYS 16 -2.933 10.830 2.229 120 HZ3 LYS 16 2HZ LYS 16 -2.565 12.093 3.292 121 H ARG 17 HN ARG 17 0.473 4.211 5.427 122 HA ARG 17 HA ARG 17 2.965 5.600 5.923 123 HE ARG 17 HE ARG 17 2.045 7.444 9.669 124 HB2 ARG 17 2HB ARG 17 1.581 6.424 7.769 125 HB3 ARG 17 1HB ARG 17 1.205 4.773 8.236 126 HG2 ARG 17 2HG ARG 17 3.692 4.442 8.567 127 HG3 ARG 17 1HG ARG 17 3.842 6.194 8.412 128 HD2 ARG 17 2HD ARG 17 2.078 4.790 10.412 129 HD3 ARG 17 1HD ARG 17 3.690 5.414 10.762 130 HH11 ARG 17 1HH1 ARG 17 2.599 5.625 12.587 131 HH12 ARG 17 2HH1 ARG 17 2.005 6.872 13.631 132 HH21 ARG 17 2HH2 ARG 17 1.243 8.844 12.748 133 HH22 ARG 17 1HH2 ARG 17 1.261 9.092 11.035 134 H GLY 18 HN GLY 18 3.883 3.808 4.733 135 HA2 GLY 18 2HA GLY 18 4.205 1.460 6.418 136 HA3 GLY 18 1HA GLY 18 3.419 1.189 4.885 137 H LYS 19 HN LYS 19 4.803 -0.012 3.842 138 HA LYS 19 HA LYS 19 7.573 0.903 3.541 139 HB2 LYS 19 2HB LYS 19 6.313 -1.816 3.556 140 HB3 LYS 19 1HB LYS 19 7.989 -1.547 3.081 141 HG2 LYS 19 2HG LYS 19 8.461 -0.621 5.295 142 HG3 LYS 19 1HG LYS 19 6.786 -0.927 5.769 143 HD2 LYS 19 2HD LYS 19 7.092 -3.296 5.383 144 HD3 LYS 19 1HD LYS 19 8.750 -3.014 4.853 145 HE2 LYS 19 2HE LYS 19 7.666 -2.379 7.598 146 HE3 LYS 19 1HE LYS 19 8.612 -3.807 7.195 147 HZ1 LYS 19 3HZ LYS 19 10.453 -2.368 6.570 148 HZ2 LYS 19 1HZ LYS 19 9.991 -2.091 8.175 149 HZ3 LYS 19 2HZ LYS 19 9.543 -0.997 6.965 150 H GLY 20 HN GLY 20 7.096 -1.603 1.429 151 HA2 GLY 20 2HA GLY 20 6.736 0.220 -0.799 152 HA3 GLY 20 1HA GLY 20 7.235 -1.469 -0.891 153 H LYS 21 HN LYS 21 5.474 -2.631 0.676 154 HA LYS 21 HA LYS 21 2.797 -2.000 -0.297 155 HB2 LYS 21 2HB LYS 21 4.143 -4.693 -0.513 156 HB3 LYS 21 1HB LYS 21 2.426 -4.421 -0.774 157 HG2 LYS 21 2HG LYS 21 3.101 -4.286 -2.928 158 HG3 LYS 21 1HG LYS 21 3.397 -2.610 -2.473 159 HD2 LYS 21 2HD LYS 21 5.725 -3.049 -2.121 160 HD3 LYS 21 1HD LYS 21 5.478 -4.785 -2.330 161 HE2 LYS 21 2HE LYS 21 6.452 -3.701 -4.326 162 HE3 LYS 21 1HE LYS 21 4.897 -4.468 -4.647 163 HZ1 LYS 21 3HZ LYS 21 5.061 -2.279 -5.674 164 HZ2 LYS 21 1HZ LYS 21 5.312 -1.567 -4.159 165 HZ3 LYS 21 2HZ LYS 21 3.834 -2.311 -4.510 166 H ASP 22 HN ASP 22 4.629 -2.300 2.342 167 HA ASP 22 HA ASP 22 2.927 -3.966 3.924 168 HB2 ASP 22 2HB ASP 22 5.488 -3.774 4.202 169 HB3 ASP 22 1HB ASP 22 5.138 -2.249 4.993 170 H VAL 23 HN VAL 23 2.435 -1.109 2.752 171 HA VAL 23 HA VAL 23 1.735 0.308 5.141 172 HB VAL 23 HB VAL 23 2.697 1.327 3.034 173 HG11 VAL 23 1HG1 VAL 23 0.914 2.114 1.427 174 HG12 VAL 23 2HG1 VAL 23 -0.165 0.925 2.142 175 HG13 VAL 23 3HG1 VAL 23 1.309 0.399 1.330 176 HG21 VAL 23 3HG2 VAL 23 1.201 2.327 5.048 177 HG22 VAL 23 1HG2 VAL 23 0.272 2.859 3.654 178 HG23 VAL 23 2HG2 VAL 23 1.972 3.309 3.802 179 H GLU 24 HN GLU 24 -0.334 0.994 5.649 180 HA GLU 24 HA GLU 24 -2.427 -0.760 4.568 181 HB2 GLU 24 2HB GLU 24 -3.594 -0.190 6.802 182 HB3 GLU 24 1HB GLU 24 -2.287 -1.363 6.803 183 HG2 GLU 24 2HG GLU 24 -0.739 0.387 7.558 184 HG3 GLU 24 1HG GLU 24 -2.077 1.532 7.594 185 H TYR 25 HN TYR 25 -3.165 0.614 2.964 186 HA TYR 25 HA TYR 25 -3.871 3.349 3.567 187 HD1 TYR 25 HD1 TYR 25 -3.786 4.877 0.042 188 HD2 TYR 25 HD2 TYR 25 -1.338 2.431 2.492 189 HE1 TYR 25 HE1 TYR 25 -1.887 6.387 -0.367 190 HE2 TYR 25 HE2 TYR 25 0.561 3.924 2.086 191 HH TYR 25 HH TYR 25 0.229 6.992 0.612 192 HB2 TYR 25 2HB TYR 25 -3.635 1.670 1.124 193 HB3 TYR 25 1HB TYR 25 -4.730 3.044 1.058 194 H LEU 26 HN LEU 26 -6.156 3.698 2.103 195 HA LEU 26 HA LEU 26 -8.113 1.832 3.231 196 HG LEU 26 HG LEU 26 -10.537 3.499 2.678 197 HB2 LEU 26 2HB LEU 26 -8.170 3.952 4.489 198 HB3 LEU 26 1HB LEU 26 -8.386 4.836 2.989 199 HD11 LEU 26 1HD1 LEU 26 -9.752 1.906 4.574 200 HD12 LEU 26 2HD1 LEU 26 -11.457 2.278 4.369 201 HD13 LEU 26 3HD1 LEU 26 -10.519 3.095 5.621 202 HD21 LEU 26 3HD2 LEU 26 -10.845 5.738 3.187 203 HD22 LEU 26 1HD2 LEU 26 -10.128 5.577 4.790 204 HD23 LEU 26 2HD2 LEU 26 -11.730 4.915 4.470 205 H VAL 27 HN VAL 27 -10.162 1.774 1.939 206 HA VAL 27 HA VAL 27 -9.720 2.754 -0.752 207 HB VAL 27 HB VAL 27 -9.704 0.863 -1.858 208 HG11 VAL 27 1HG1 VAL 27 -8.422 -0.905 -0.727 209 HG12 VAL 27 2HG1 VAL 27 -8.765 -0.135 0.821 210 HG13 VAL 27 3HG1 VAL 27 -7.799 0.709 -0.389 211 HG21 VAL 27 3HG2 VAL 27 -11.935 0.084 -1.170 212 HG22 VAL 27 1HG2 VAL 27 -11.227 -0.621 0.283 213 HG23 VAL 27 2HG2 VAL 27 -10.784 -1.242 -1.308 214 H ARG 28 HN ARG 28 -11.299 4.030 -1.169 215 HA ARG 28 HA ARG 28 -13.990 3.425 -0.268 216 HE ARG 28 HE ARG 28 -11.294 7.985 0.750 217 HB2 ARG 28 2HB ARG 28 -13.325 5.566 -2.244 218 HB3 ARG 28 1HB ARG 28 -14.594 5.556 -1.029 219 HG2 ARG 28 2HG ARG 28 -12.781 5.729 0.709 220 HG3 ARG 28 1HG ARG 28 -11.655 6.027 -0.613 221 HD2 ARG 28 2HD ARG 28 -13.092 7.942 -1.311 222 HD3 ARG 28 1HD ARG 28 -14.059 7.682 0.139 223 HH11 ARG 28 1HH1 ARG 28 -14.192 9.740 -0.053 224 HH12 ARG 28 2HH1 ARG 28 -13.681 11.199 0.729 225 HH21 ARG 28 2HH2 ARG 28 -11.644 11.289 1.773 226 HH22 ARG 28 1HH2 ARG 28 -10.611 9.898 1.784 227 H TRP 29 HN TRP 29 -13.861 1.407 -1.297 228 HA TRP 29 HA TRP 29 -13.414 0.468 -3.677 229 HD1 TRP 29 HD1 TRP 29 -13.550 -1.043 -4.944 230 HE1 TRP 29 HE1 TRP 29 -13.942 -3.464 -5.729 231 HE3 TRP 29 HE3 TRP 29 -17.184 -2.396 -1.615 232 HZ2 TRP 29 HZ2 TRP 29 -15.578 -5.658 -5.027 233 HZ3 TRP 29 HZ3 TRP 29 -18.109 -4.672 -1.737 234 HH2 TRP 29 HH2 TRP 29 -17.322 -6.270 -3.409 235 HB2 TRP 29 2HB TRP 29 -14.908 -0.409 -1.703 236 HB3 TRP 29 1HB TRP 29 -16.231 0.085 -2.749 237 H LYS 30 HN LYS 30 -13.303 2.047 -5.212 238 HA LYS 30 HA LYS 30 -14.809 3.884 -6.289 239 HB2 LYS 30 2HB LYS 30 -12.871 2.715 -7.408 240 HB3 LYS 30 1HB LYS 30 -14.032 1.568 -8.058 241 HG2 LYS 30 2HG LYS 30 -15.153 3.318 -9.272 242 HG3 LYS 30 1HG LYS 30 -14.109 4.538 -8.541 243 HD2 LYS 30 2HD LYS 30 -12.160 3.450 -9.603 244 HD3 LYS 30 1HD LYS 30 -13.256 2.315 -10.393 245 HE2 LYS 30 2HE LYS 30 -14.353 4.161 -11.546 246 HE3 LYS 30 1HE LYS 30 -13.295 5.313 -10.732 247 HZ1 LYS 30 3HZ LYS 30 -12.412 3.189 -12.613 248 HZ2 LYS 30 1HZ LYS 30 -11.401 4.303 -11.838 249 HZ3 LYS 30 2HZ LYS 30 -12.535 4.837 -12.974 250 H ASP 31 HN ASP 31 -15.789 0.495 -6.423 251 HA ASP 31 HA ASP 31 -18.460 1.350 -7.329 252 HB2 ASP 31 2HB ASP 31 -18.722 -0.866 -8.360 253 HB3 ASP 31 1HB ASP 31 -17.327 -0.023 -9.028 254 H GLY 32 HN GLY 32 -18.214 1.636 -4.780 255 HA2 GLY 32 2HA GLY 32 -19.676 -0.612 -3.615 256 HA3 GLY 32 1HA GLY 32 -18.166 -0.140 -2.837 257 H GLY 33 HN GLY 33 -20.053 -0.001 -1.142 258 HA2 GLY 33 2HA GLY 33 -21.039 2.782 -1.157 259 HA3 GLY 33 1HA GLY 33 -21.865 1.453 -0.357 260 H ASP 34 HN ASP 34 -18.914 0.619 0.386 261 HA ASP 34 HA ASP 34 -18.643 2.492 2.640 262 HB2 ASP 34 2HB ASP 34 -19.635 0.437 3.476 263 HB3 ASP 34 1HB ASP 34 -18.375 -0.521 2.706 264 H CYS 35 HN CYS 35 -16.469 2.466 3.634 265 HA CYS 35 HA CYS 35 -14.394 1.947 1.604 266 HG CYS 35 HG CYS 35 -16.288 4.395 1.415 267 HB2 CYS 35 2HB CYS 35 -14.400 4.076 3.755 268 HB3 CYS 35 1HB CYS 35 -13.150 3.833 2.541 269 H GLU 36 HN GLU 36 -13.045 0.357 2.138 270 HA GLU 36 HA GLU 36 -12.676 -0.254 4.988 271 HB2 GLU 36 2HB GLU 36 -12.571 -1.960 2.527 272 HB3 GLU 36 1HB GLU 36 -11.773 -2.458 4.012 273 HG2 GLU 36 2HG GLU 36 -13.866 -2.429 5.202 274 HG3 GLU 36 1HG GLU 36 -14.697 -1.780 3.790 275 H TRP 37 HN TRP 37 -10.572 -1.142 5.588 276 HA TRP 37 HA TRP 37 -8.437 0.528 4.582 277 HD1 TRP 37 HD1 TRP 37 -8.318 2.304 5.737 278 HE1 TRP 37 HE1 TRP 37 -9.059 3.886 7.629 279 HE3 TRP 37 HE3 TRP 37 -9.062 -1.152 9.425 280 HZ2 TRP 37 HZ2 TRP 37 -9.851 3.688 10.332 281 HZ3 TRP 37 HZ3 TRP 37 -9.810 -0.375 11.637 282 HH2 TRP 37 HH2 TRP 37 -10.195 1.995 12.079 283 HB2 TRP 37 2HB TRP 37 -8.710 -1.314 6.946 284 HB3 TRP 37 1HB TRP 37 -7.168 -0.589 6.504 285 H VAL 38 HN VAL 38 -6.499 -0.147 3.803 286 HA VAL 38 HA VAL 38 -6.482 -2.711 2.460 287 HB VAL 38 HB VAL 38 -4.656 -0.321 2.382 288 HG11 VAL 38 1HG1 VAL 38 -3.244 -2.293 2.142 289 HG12 VAL 38 2HG1 VAL 38 -3.368 -1.416 0.620 290 HG13 VAL 38 3HG1 VAL 38 -4.295 -2.897 0.860 291 HG21 VAL 38 3HG2 VAL 38 -5.384 -0.286 -0.007 292 HG22 VAL 38 1HG2 VAL 38 -6.659 0.027 1.171 293 HG23 VAL 38 2HG2 VAL 38 -6.542 -1.555 0.400 294 H LYS 39 HN LYS 39 -4.512 -4.073 2.546 295 HA LYS 39 HA LYS 39 -3.846 -4.553 5.293 296 HB2 LYS 39 2HB LYS 39 -4.358 -6.439 3.853 297 HB3 LYS 39 1HB LYS 39 -3.034 -6.008 2.779 298 HG2 LYS 39 2HG LYS 39 -1.436 -6.462 4.580 299 HG3 LYS 39 1HG LYS 39 -2.773 -6.921 5.637 300 HD2 LYS 39 2HD LYS 39 -3.369 -8.725 4.091 301 HD3 LYS 39 1HD LYS 39 -2.031 -8.262 3.038 302 HE2 LYS 39 2HE LYS 39 -0.451 -8.745 4.853 303 HE3 LYS 39 1HE LYS 39 -1.795 -9.232 5.885 304 HZ1 LYS 39 3HZ LYS 39 -2.307 -10.998 4.304 305 HZ2 LYS 39 1HZ LYS 39 -0.730 -11.148 4.897 306 HZ3 LYS 39 2HZ LYS 39 -0.994 -10.540 3.342 307 H GLY 40 HN GLY 40 -2.398 -3.325 6.222 308 HA2 GLY 40 2HA GLY 40 0.026 -2.605 4.754 309 HA3 GLY 40 1HA GLY 40 -0.521 -1.850 6.242 310 H VAL 41 HN VAL 41 -0.232 -5.270 5.528 311 HA VAL 41 HA VAL 41 1.856 -5.475 7.596 312 HB VAL 41 HB VAL 41 0.354 -7.878 6.692 313 HG11 VAL 41 1HG1 VAL 41 0.678 -8.519 9.062 314 HG12 VAL 41 2HG1 VAL 41 1.516 -6.989 9.323 315 HG13 VAL 41 3HG1 VAL 41 2.185 -8.181 8.210 316 HG21 VAL 41 3HG2 VAL 41 -0.770 -5.896 8.674 317 HG22 VAL 41 1HG2 VAL 41 -1.420 -7.503 8.347 318 HG23 VAL 41 2HG2 VAL 41 -1.442 -6.269 7.087 319 H HIS 42 HN HIS 42 1.473 -5.388 4.330 320 HA HIS 42 HA HIS 42 3.067 -7.670 3.653 321 HD1 HIS 42 HD1 HIS 42 -0.189 -7.601 1.892 322 HD2 HIS 42 HD2 HIS 42 3.622 -8.637 0.600 323 HE1 HIS 42 HE1 HIS 42 -0.455 -9.803 0.707 324 HE2 HIS 42 HE2 HIS 42 1.853 -10.379 -0.119 325 HB2 HIS 42 2HB HIS 42 1.476 -5.757 2.223 326 HB3 HIS 42 1HB HIS 42 3.056 -5.934 1.456 327 H VAL 43 HN VAL 43 4.682 -7.310 5.075 328 HA VAL 43 HA VAL 43 6.449 -5.180 5.101 329 HB VAL 43 HB VAL 43 6.477 -6.819 6.851 330 HG11 VAL 43 1HG1 VAL 43 7.626 -8.794 4.887 331 HG12 VAL 43 2HG1 VAL 43 5.937 -8.763 5.385 332 HG13 VAL 43 3HG1 VAL 43 7.200 -9.080 6.574 333 HG21 VAL 43 3HG2 VAL 43 8.880 -7.217 7.071 334 HG22 VAL 43 1HG2 VAL 43 8.550 -5.591 6.479 335 HG23 VAL 43 2HG2 VAL 43 9.101 -6.837 5.363 336 H ALA 44 HN ALA 44 6.556 -4.661 2.854 337 HA ALA 44 HA ALA 44 8.392 -6.275 1.284 338 HB1 ALA 44 3HB ALA 44 6.283 -5.174 0.334 339 HB2 ALA 44 1HB ALA 44 7.779 -4.975 -0.576 340 HB3 ALA 44 2HB ALA 44 7.181 -3.659 0.433 341 H GLU 45 HN GLU 45 9.618 -5.484 3.455 342 HA GLU 45 HA GLU 45 10.793 -3.010 3.671 343 HB2 GLU 45 2HB GLU 45 11.098 -4.764 5.344 344 HB3 GLU 45 1HB GLU 45 12.053 -5.708 4.209 345 HG2 GLU 45 2HG GLU 45 13.765 -3.976 4.191 346 HG3 GLU 45 1HG GLU 45 12.803 -3.009 5.309 347 H ASP 46 HN ASP 46 11.385 -5.530 1.386 348 HA ASP 46 HA ASP 46 13.879 -4.491 0.410 349 HB2 ASP 46 2HB ASP 46 13.196 -6.879 0.165 350 HB3 ASP 46 1HB ASP 46 11.941 -6.368 -0.959 351 H VAL 47 HN VAL 47 10.489 -4.308 -0.592 352 HA VAL 47 HA VAL 47 10.952 -2.800 -2.935 353 HB VAL 47 HB VAL 47 8.499 -2.884 -1.159 354 HG11 VAL 47 1HG1 VAL 47 8.659 -0.884 -2.663 355 HG12 VAL 47 2HG1 VAL 47 7.271 -1.927 -2.969 356 HG13 VAL 47 3HG1 VAL 47 8.676 -1.995 -4.032 357 HG21 VAL 47 3HG2 VAL 47 7.635 -4.467 -2.812 358 HG22 VAL 47 1HG2 VAL 47 9.116 -5.066 -2.064 359 HG23 VAL 47 2HG2 VAL 47 9.161 -4.387 -3.691 360 H ALA 48 HN ALA 48 10.160 -1.905 0.328 361 HA ALA 48 HA ALA 48 10.103 0.888 0.149 362 HB1 ALA 48 3HB ALA 48 9.024 -0.303 1.955 363 HB2 ALA 48 1HB ALA 48 10.218 0.830 2.588 364 HB3 ALA 48 2HB ALA 48 10.587 -0.895 2.522 365 H LYS 49 HN LYS 49 12.578 -1.314 1.496 366 HA LYS 49 HA LYS 49 14.499 0.677 1.993 367 HB2 LYS 49 2HB LYS 49 14.570 -1.633 2.927 368 HB3 LYS 49 1HB LYS 49 14.993 -2.235 1.330 369 HG2 LYS 49 2HG LYS 49 17.030 -0.818 1.399 370 HG3 LYS 49 1HG LYS 49 16.620 -0.389 3.060 371 HD2 LYS 49 2HD LYS 49 17.196 -3.159 2.011 372 HD3 LYS 49 1HD LYS 49 18.248 -2.186 3.040 373 HE2 LYS 49 2HE LYS 49 15.508 -3.210 3.779 374 HE3 LYS 49 1HE LYS 49 17.043 -3.883 4.328 375 HZ1 LYS 49 3HZ LYS 49 16.056 -1.139 4.896 376 HZ2 LYS 49 1HZ LYS 49 17.530 -1.782 5.420 377 HZ3 LYS 49 2HZ LYS 49 16.075 -2.428 5.990 378 H ASP 50 HN ASP 50 13.665 -1.162 -0.834 379 HA ASP 50 HA ASP 50 15.892 -0.082 -2.364 380 HB2 ASP 50 2HB ASP 50 14.992 -2.505 -2.519 381 HB3 ASP 50 1HB ASP 50 13.683 -1.802 -3.467 382 H TYR 51 HN TYR 51 12.723 0.782 -1.566 383 HA TYR 51 HA TYR 51 12.091 2.056 -4.021 384 HD1 TYR 51 HD1 TYR 51 11.218 0.500 -4.596 385 HD2 TYR 51 HD2 TYR 51 7.961 2.142 -2.392 386 HE1 TYR 51 HE1 TYR 51 9.640 -0.613 -6.105 387 HE2 TYR 51 HE2 TYR 51 6.380 1.025 -3.903 388 HH TYR 51 HH TYR 51 6.342 0.134 -6.201 389 HB2 TYR 51 2HB TYR 51 10.704 1.590 -1.530 390 HB3 TYR 51 1HB TYR 51 10.310 3.118 -2.277 391 H GLU 52 HN GLU 52 12.410 3.191 -0.697 392 HA GLU 52 HA GLU 52 12.986 5.875 -1.608 393 HB2 GLU 52 2HB GLU 52 12.727 6.565 0.654 394 HB3 GLU 52 1HB GLU 52 11.464 5.384 0.341 395 HG2 GLU 52 2HG GLU 52 12.791 3.666 1.464 396 HG3 GLU 52 1HG GLU 52 14.057 4.851 1.776 397 H ASP 53 HN ASP 53 14.549 3.338 0.288 398 HA ASP 53 HA ASP 53 17.020 4.796 0.507 399 HB2 ASP 53 2HB ASP 53 15.913 2.253 1.527 400 HB3 ASP 53 1HB ASP 53 17.663 2.296 1.311 401 H GLY 54 HN GLY 54 15.633 2.537 -1.703 402 HA2 GLY 54 2HA GLY 54 18.028 1.434 -2.751 403 HA3 GLY 54 1HA GLY 54 16.474 1.477 -3.567 404 H LEU 55 HN LEU 55 16.064 4.221 -3.728 405 HA LEU 55 HA LEU 55 17.819 4.870 -5.914 406 HG LEU 55 HG LEU 55 14.421 5.988 -6.870 407 HB2 LEU 55 2HB LEU 55 15.422 6.181 -4.674 408 HB3 LEU 55 1HB LEU 55 16.397 7.036 -5.856 409 HD11 LEU 55 1HD1 LEU 55 16.986 4.673 -7.746 410 HD12 LEU 55 2HD1 LEU 55 16.489 6.310 -8.172 411 HD13 LEU 55 3HD1 LEU 55 15.541 4.929 -8.726 412 HD21 LEU 55 3HD2 LEU 55 14.194 4.082 -5.371 413 HD22 LEU 55 1HD2 LEU 55 15.692 3.396 -5.999 414 HD23 LEU 55 2HD2 LEU 55 14.284 3.551 -7.050 415 H GLU 56 HN GLU 56 16.929 6.584 -2.911 416 HA GLU 56 HA GLU 56 19.311 8.226 -3.128 417 HB2 GLU 56 2HB GLU 56 17.110 8.216 -1.074 418 HB3 GLU 56 1HB GLU 56 18.416 9.387 -1.142 419 HG2 GLU 56 2HG GLU 56 16.271 8.967 -3.210 420 HG3 GLU 56 1HG GLU 56 16.408 10.322 -2.091 421 H TYR 57 HN TYR 57 20.478 6.013 -2.904 422 HA TYR 57 HA TYR 57 20.763 5.144 -0.143 423 HD1 TYR 57 HD1 TYR 57 21.125 2.570 0.543 424 HD2 TYR 57 HD2 TYR 57 24.231 3.491 -2.215 425 HE1 TYR 57 HE1 TYR 57 22.684 1.183 1.844 426 HE2 TYR 57 HE2 TYR 57 25.799 2.106 -0.922 427 HH TYR 57 HH TYR 57 26.039 1.257 1.383 428 HB2 TYR 57 2HB TYR 57 20.693 3.419 -1.853 429 HB3 TYR 57 1HB TYR 57 22.049 4.159 -2.697 430 HA ALA 1 HA ALA 1 -12.494 -11.742 -6.020 431 H1 ALA 1 1H ALA 1 -11.623 -10.136 -7.561 432 H2 ALA 1 2H ALA 1 -11.203 -9.097 -6.299 433 H3 ALA 1 3H ALA 1 -12.828 -9.443 -6.597 434 HB1 ALA 1 3HB ALA 1 -10.354 -12.337 -6.512 435 HB2 ALA 1 1HB ALA 1 -10.210 -12.123 -4.767 436 HB3 ALA 1 2HB ALA 1 -9.666 -10.850 -5.861 437 HA PRO 2 HA PRO 2 -12.031 -10.281 -1.547 438 HB2 PRO 2 1HB PRO 2 -9.792 -9.885 -1.134 439 HB3 PRO 2 2HB PRO 2 -10.421 -8.259 -0.834 440 HG2 PRO 2 2HG PRO 2 -9.798 -7.496 -2.942 441 HG3 PRO 2 1HG PRO 2 -8.484 -8.642 -2.610 442 HD2 PRO 2 2HD PRO 2 -10.066 -8.788 -4.818 443 HD3 PRO 2 1HD PRO 2 -9.316 -10.207 -4.066 444 HA PRO 3 HA PRO 3 -15.016 -6.964 -2.463 445 HB2 PRO 3 1HB PRO 3 -16.703 -8.488 -2.122 446 HB3 PRO 3 2HB PRO 3 -16.798 -7.689 -0.549 447 HG2 PRO 3 2HG PRO 3 -15.574 -9.349 0.512 448 HG3 PRO 3 1HG PRO 3 -16.403 -10.317 -0.721 449 HD2 PRO 3 2HD PRO 3 -13.707 -10.288 -0.455 450 HD3 PRO 3 1HD PRO 3 -14.512 -10.511 -2.022 451 H GLY 4 HN GLY 4 -14.070 -5.107 -1.770 452 HA2 GLY 4 2HA GLY 4 -14.627 -3.521 0.158 453 HA3 GLY 4 1HA GLY 4 -13.778 -4.711 1.137 454 H THR 5 HN THR 5 -11.542 -4.877 1.002 455 HA THR 5 HA THR 5 -10.211 -2.493 0.037 456 HB THR 5 HB THR 5 -9.476 -3.114 2.183 457 HG1 THR 5 HG1 THR 5 -7.468 -4.296 0.573 458 HG21 THR 5 3HG2 THR 5 -9.211 -5.907 1.076 459 HG22 THR 5 1HG2 THR 5 -10.270 -5.356 2.374 460 HG23 THR 5 2HG2 THR 5 -8.525 -5.409 2.623 461 H ALA 6 HN ALA 6 -7.999 -2.799 -0.973 462 HA ALA 6 HA ALA 6 -7.984 -5.029 -2.889 463 HB1 ALA 6 3HB ALA 6 -8.886 -2.869 -3.874 464 HB2 ALA 6 1HB ALA 6 -7.527 -3.611 -4.722 465 HB3 ALA 6 2HB ALA 6 -7.257 -2.218 -3.677 466 H ARG 7 HN ARG 7 -5.770 -4.980 -4.121 467 HA ARG 7 HA ARG 7 -3.628 -4.423 -2.171 468 HE ARG 7 HE ARG 7 -4.269 -8.746 -6.247 469 HB2 ARG 7 2HB ARG 7 -2.490 -6.460 -2.948 470 HB3 ARG 7 1HB ARG 7 -4.065 -6.819 -2.254 471 HG2 ARG 7 2HG ARG 7 -5.004 -6.965 -4.523 472 HG3 ARG 7 1HG ARG 7 -3.394 -6.675 -5.184 473 HD2 ARG 7 2HD ARG 7 -2.590 -8.698 -4.023 474 HD3 ARG 7 1HD ARG 7 -4.232 -8.999 -3.456 475 HH11 ARG 7 1HH1 ARG 7 -3.126 -10.911 -3.771 476 HH12 ARG 7 2HH1 ARG 7 -3.228 -12.319 -4.775 477 HH21 ARG 7 2HH2 ARG 7 -3.955 -12.134 -6.942 478 HH22 ARG 7 1HH2 ARG 7 -4.407 -10.587 -7.576 479 H ARG 8 HN ARG 8 -2.051 -3.100 -2.933 480 HA ARG 8 HA ARG 8 -2.060 -1.790 -5.311 481 HE ARG 8 HE ARG 8 1.469 0.916 -6.570 482 HB2 ARG 8 2HB ARG 8 -0.560 -1.285 -3.405 483 HB3 ARG 8 1HB ARG 8 0.436 -2.665 -3.845 484 HG2 ARG 8 2HG ARG 8 1.349 -0.500 -4.604 485 HG3 ARG 8 1HG ARG 8 1.050 -1.632 -5.918 486 HD2 ARG 8 2HD ARG 8 -0.982 -0.491 -6.512 487 HD3 ARG 8 1HD ARG 8 -0.848 0.561 -5.104 488 HH11 ARG 8 1HH1 ARG 8 -1.952 1.357 -7.044 489 HH12 ARG 8 2HH1 ARG 8 -1.761 2.673 -8.154 490 HH21 ARG 8 2HH2 ARG 8 0.335 3.405 -8.716 491 HH22 ARG 8 1HH2 ARG 8 1.734 2.646 -8.031 492 H LYS 9 HN LYS 9 -0.026 -4.643 -4.688 493 HA LYS 9 HA LYS 9 -0.464 -5.655 -7.359 494 HB2 LYS 9 2HB LYS 9 2.310 -4.854 -6.449 495 HB3 LYS 9 1HB LYS 9 1.943 -5.742 -7.920 496 HG2 LYS 9 2HG LYS 9 0.711 -3.843 -8.791 497 HG3 LYS 9 1HG LYS 9 1.029 -2.946 -7.308 498 HD2 LYS 9 2HD LYS 9 3.425 -3.039 -7.749 499 HD3 LYS 9 1HD LYS 9 3.129 -3.980 -9.213 500 HE2 LYS 9 2HE LYS 9 3.517 -1.658 -9.782 501 HE3 LYS 9 1HE LYS 9 1.848 -2.098 -10.141 502 HZ1 LYS 9 3HZ LYS 9 2.784 -0.606 -7.750 503 HZ2 LYS 9 1HZ LYS 9 1.181 -1.056 -8.052 504 HZ3 LYS 9 2HZ LYS 9 1.955 0.050 -9.070 505 H ARG 10 HN ARG 10 1.794 -7.481 -7.276 506 HA ARG 10 HA ARG 10 0.779 -9.573 -5.791 507 HE ARG 10 HE ARG 10 4.688 -11.316 -5.601 508 HB2 ARG 10 2HB ARG 10 2.919 -10.672 -6.082 509 HB3 ARG 10 1HB ARG 10 2.525 -9.788 -7.552 510 HG2 ARG 10 2HG ARG 10 4.067 -8.059 -7.023 511 HG3 ARG 10 1HG ARG 10 4.326 -8.706 -5.400 512 HD2 ARG 10 2HD ARG 10 5.059 -10.079 -7.986 513 HD3 ARG 10 1HD ARG 10 6.182 -9.249 -6.909 514 HH11 ARG 10 1HH1 ARG 10 7.491 -10.634 -7.550 515 HH12 ARG 10 2HH1 ARG 10 8.354 -12.041 -7.029 516 HH21 ARG 10 2HH2 ARG 10 7.403 -13.483 -5.528 517 HH22 ARG 10 1HH2 ARG 10 5.815 -13.172 -4.910 518 H LYS 11 HN LYS 11 2.685 -6.869 -4.796 519 HA LYS 11 HA LYS 11 3.498 -6.160 -2.817 520 HB2 LYS 11 2HB LYS 11 1.302 -7.956 -1.783 521 HB3 LYS 11 1HB LYS 11 2.231 -6.858 -0.777 522 HG2 LYS 11 2HG LYS 11 1.431 -5.010 -2.329 523 HG3 LYS 11 1HG LYS 11 0.271 -6.187 -2.933 524 HD2 LYS 11 2HD LYS 11 -0.540 -6.519 -0.622 525 HD3 LYS 11 1HD LYS 11 0.563 -5.250 -0.085 526 HE2 LYS 11 2HE LYS 11 -0.573 -3.665 -1.591 527 HE3 LYS 11 1HE LYS 11 -1.702 -4.937 -2.051 528 HZ1 LYS 11 3HZ LYS 11 -2.410 -5.071 0.272 529 HZ2 LYS 11 1HZ LYS 11 -2.659 -3.523 -0.366 530 HZ3 LYS 11 2HZ LYS 11 -1.358 -3.809 0.675 531 H ALA 12 HN ALA 12 5.543 -6.869 -2.657 532 HA ALA 12 HA ALA 12 6.147 -9.612 -2.007 533 HB1 ALA 12 3HB ALA 12 7.537 -8.130 -3.520 534 HB2 ALA 12 1HB ALA 12 8.423 -9.031 -2.288 535 HB3 ALA 12 2HB ALA 12 8.090 -7.313 -2.055 536 H ASP 13 HN ASP 13 6.073 -10.361 0.029 537 HA ASP 13 HA ASP 13 6.901 -8.549 2.194 538 HB2 ASP 13 2HB ASP 13 5.191 -9.615 3.656 539 HB3 ASP 13 1HB ASP 13 4.495 -8.698 2.323 540 H SER 14 HN SER 14 8.803 -10.026 1.204 541 HA SER 14 HA SER 14 10.391 -11.581 1.670 542 HG SER 14 HG SER 14 10.725 -10.273 4.927 543 HB2 SER 14 2HB SER 14 8.962 -11.604 4.338 544 HB3 SER 14 1HB SER 14 10.511 -12.390 4.034 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 8.091 2.686 -7.123 2 H2 GLY 1 2H GLY 1 8.044 4.301 -6.623 3 H3 GLY 1 3H GLY 1 8.530 3.095 -5.543 4 HA2 GLY 1 1HA GLY 1 10.522 2.674 -6.753 5 HA3 GLY 1 2HA GLY 1 9.989 3.745 -8.040 6 H SER 2 HN SER 2 9.428 4.599 -4.721 7 HA SER 2 HA SER 2 11.753 5.954 -4.071 8 HG SER 2 HG SER 2 9.108 7.087 -6.130 9 HB2 SER 2 2HB SER 2 11.168 8.299 -4.601 10 HB3 SER 2 1HB SER 2 11.422 7.323 -6.045 11 H GLN 3 HN GLN 3 8.264 5.871 -3.914 12 HA GLN 3 HA GLN 3 8.243 7.213 -1.355 13 HB2 GLN 3 2HB GLN 3 6.049 5.994 -2.991 14 HB3 GLN 3 1HB GLN 3 5.790 6.812 -1.463 15 HG2 GLN 3 2HG GLN 3 6.618 8.882 -2.403 16 HG3 GLN 3 1HG GLN 3 6.978 8.070 -3.926 17 HE21 GLN 3 2HE2 GLN 3 3.657 9.886 -3.931 18 HE22 GLN 3 1HE2 GLN 3 5.218 10.338 -3.349 19 H VAL 4 HN VAL 4 7.812 6.256 0.594 20 HA VAL 4 HA VAL 4 8.271 3.382 0.688 21 HB VAL 4 HB VAL 4 7.995 5.116 3.120 22 HG11 VAL 4 1HG1 VAL 4 9.548 3.522 4.081 23 HG12 VAL 4 2HG1 VAL 4 9.715 2.715 2.521 24 HG13 VAL 4 3HG1 VAL 4 8.171 2.682 3.370 25 HG21 VAL 4 3HG2 VAL 4 10.442 4.902 1.371 26 HG22 VAL 4 1HG2 VAL 4 10.435 5.556 3.009 27 HG23 VAL 4 2HG2 VAL 4 9.522 6.363 1.735 28 H PHE 5 HN PHE 5 5.833 3.986 -0.355 29 HA PHE 5 HA PHE 5 4.080 2.518 1.269 30 HD1 PHE 5 HD1 PHE 5 4.998 6.529 2.710 31 HD2 PHE 5 HD2 PHE 5 2.336 5.671 -0.496 32 HE1 PHE 5 HE1 PHE 5 5.275 8.825 1.870 33 HE2 PHE 5 HE2 PHE 5 2.608 7.964 -1.342 34 HZ PHE 5 HZ PHE 5 4.079 9.545 -0.159 35 HB2 PHE 5 2HB PHE 5 2.429 4.341 1.763 36 HB3 PHE 5 1HB PHE 5 3.936 4.492 2.654 37 H GLU 6 HN GLU 6 2.295 1.875 0.084 38 HA GLU 6 HA GLU 6 1.849 3.186 -2.513 39 HB2 GLU 6 2HB GLU 6 3.176 1.118 -2.804 40 HB3 GLU 6 1HB GLU 6 1.884 0.197 -2.038 41 HG2 GLU 6 2HG GLU 6 1.775 -0.014 -4.440 42 HG3 GLU 6 1HG GLU 6 0.364 0.853 -3.840 43 H TYR 7 HN TYR 7 -0.291 3.283 -3.228 44 HA TYR 7 HA TYR 7 -2.248 2.826 -1.158 45 HD1 TYR 7 HD1 TYR 7 -4.118 3.262 -4.938 46 HD2 TYR 7 HD2 TYR 7 -0.608 5.434 -3.912 47 HE1 TYR 7 HE1 TYR 7 -3.638 3.602 -7.326 48 HE2 TYR 7 HE2 TYR 7 -0.118 5.781 -6.298 49 HH TYR 7 HH TYR 7 -2.378 5.186 -8.743 50 HB2 TYR 7 2HB TYR 7 -3.755 4.071 -2.665 51 HB3 TYR 7 1HB TYR 7 -2.305 4.964 -2.247 52 H ALA 8 HN ALA 8 -3.070 0.934 -0.953 53 HA ALA 8 HA ALA 8 -3.585 -0.733 -3.305 54 HB1 ALA 8 3HB ALA 8 -3.483 -1.258 -0.345 55 HB2 ALA 8 1HB ALA 8 -2.523 -1.985 -1.634 56 HB3 ALA 8 2HB ALA 8 -4.224 -2.413 -1.450 57 H GLU 9 HN GLU 9 -5.189 1.400 -3.396 58 HA GLU 9 HA GLU 9 -7.779 0.500 -2.358 59 HB2 GLU 9 2HB GLU 9 -8.151 2.560 -1.598 60 HB3 GLU 9 1HB GLU 9 -6.450 2.834 -1.872 61 HG2 GLU 9 2HG GLU 9 -8.644 3.477 -3.816 62 HG3 GLU 9 1HG GLU 9 -7.847 4.630 -2.762 63 H VAL 10 HN VAL 10 -9.614 1.346 -3.537 64 HA VAL 10 HA VAL 10 -9.233 0.631 -6.287 65 HB VAL 10 HB VAL 10 -11.716 0.743 -4.675 66 HG11 VAL 10 1HG1 VAL 10 -12.920 0.207 -6.518 67 HG12 VAL 10 2HG1 VAL 10 -11.660 -0.866 -7.123 68 HG13 VAL 10 3HG1 VAL 10 -11.545 0.872 -7.399 69 HG21 VAL 10 3HG2 VAL 10 -9.958 -1.545 -5.497 70 HG22 VAL 10 1HG2 VAL 10 -11.544 -1.725 -4.752 71 HG23 VAL 10 2HG2 VAL 10 -10.239 -0.947 -3.860 72 H ASP 11 HN ASP 11 -10.467 3.256 -4.339 73 HA ASP 11 HA ASP 11 -10.275 4.971 -6.691 74 HB2 ASP 11 2HB ASP 11 -12.578 4.464 -6.782 75 HB3 ASP 11 1HB ASP 11 -12.781 4.637 -5.048 76 H GLU 12 HN GLU 12 -10.417 4.702 -3.176 77 HA GLU 12 HA GLU 12 -8.896 7.157 -2.960 78 HB2 GLU 12 2HB GLU 12 -11.709 6.986 -1.907 79 HB3 GLU 12 1HB GLU 12 -10.529 8.105 -1.236 80 HG2 GLU 12 2HG GLU 12 -11.404 8.021 -4.115 81 HG3 GLU 12 1HG GLU 12 -11.989 9.157 -2.899 82 H ILE 13 HN ILE 13 -8.112 7.587 -0.762 83 HA ILE 13 HA ILE 13 -8.323 5.276 1.043 84 HB ILE 13 HB ILE 13 -5.952 5.110 1.385 85 HG12 ILE 13 2HG1 ILE 13 -5.486 7.576 1.240 86 HG13 ILE 13 1HG1 ILE 13 -4.329 6.596 0.345 87 HG21 ILE 13 1HG2 ILE 13 -5.723 5.405 -1.502 88 HG22 ILE 13 2HG2 ILE 13 -7.180 4.560 -0.997 89 HG23 ILE 13 3HG2 ILE 13 -5.606 3.966 -0.489 90 HD11 ILE 13 3HD1 ILE 13 -6.395 8.475 -0.646 91 HD12 ILE 13 1HD1 ILE 13 -5.988 7.077 -1.643 92 HD13 ILE 13 2HD1 ILE 13 -4.733 8.228 -1.182 93 H VAL 14 HN VAL 14 -6.629 6.088 3.027 94 HA VAL 14 HA VAL 14 -7.176 8.855 3.704 95 HB VAL 14 HB VAL 14 -8.231 6.586 5.402 96 HG11 VAL 14 1HG1 VAL 14 -8.129 9.548 5.971 97 HG12 VAL 14 2HG1 VAL 14 -7.250 8.282 6.828 98 HG13 VAL 14 3HG1 VAL 14 -9.009 8.360 6.933 99 HG21 VAL 14 3HG2 VAL 14 -10.407 7.649 5.050 100 HG22 VAL 14 1HG2 VAL 14 -9.674 7.167 3.520 101 HG23 VAL 14 2HG2 VAL 14 -9.650 8.859 4.013 102 H GLU 15 HN GLU 15 -6.082 5.769 5.082 103 HA GLU 15 HA GLU 15 -3.889 7.141 6.443 104 HB2 GLU 15 2HB GLU 15 -4.688 4.220 6.479 105 HB3 GLU 15 1HB GLU 15 -3.462 4.961 7.499 106 HG2 GLU 15 2HG GLU 15 -5.168 6.355 8.546 107 HG3 GLU 15 1HG GLU 15 -6.399 5.618 7.520 108 H LYS 16 HN LYS 16 -1.732 6.911 5.851 109 HA LYS 16 HA LYS 16 -1.045 4.973 3.795 110 HB2 LYS 16 2HB LYS 16 0.006 6.840 2.399 111 HB3 LYS 16 1HB LYS 16 -1.743 6.677 2.336 112 HG2 LYS 16 2HG LYS 16 -1.946 8.511 3.962 113 HG3 LYS 16 1HG LYS 16 -0.191 8.692 3.949 114 HD2 LYS 16 2HD LYS 16 -0.248 9.228 1.575 115 HD3 LYS 16 1HD LYS 16 -1.996 8.989 1.547 116 HE2 LYS 16 2HE LYS 16 -0.502 11.085 3.121 117 HE3 LYS 16 1HE LYS 16 -1.452 11.358 1.661 118 HZ1 LYS 16 3HZ LYS 16 -2.498 10.395 4.268 119 HZ2 LYS 16 1HZ LYS 16 -3.421 10.603 2.865 120 HZ3 LYS 16 2HZ LYS 16 -2.714 11.941 3.619 121 H ARG 17 HN ARG 17 0.429 4.133 5.404 122 HA ARG 17 HA ARG 17 2.964 5.531 5.467 123 HE ARG 17 HE ARG 17 4.031 7.172 8.742 124 HB2 ARG 17 2HB ARG 17 1.462 4.952 8.021 125 HB3 ARG 17 1HB ARG 17 3.164 5.390 7.950 126 HG2 ARG 17 2HG ARG 17 2.473 7.515 6.818 127 HG3 ARG 17 1HG ARG 17 0.800 7.076 7.172 128 HD2 ARG 17 2HD ARG 17 1.590 8.564 8.885 129 HD3 ARG 17 1HD ARG 17 1.390 6.953 9.573 130 HH11 ARG 17 1HH1 ARG 17 1.901 8.657 11.061 131 HH12 ARG 17 2HH1 ARG 17 3.171 9.041 12.175 132 HH21 ARG 17 2HH2 ARG 17 5.337 8.483 11.686 133 HH22 ARG 17 1HH2 ARG 17 5.711 7.674 10.201 134 H GLY 18 HN GLY 18 3.891 3.724 4.399 135 HA2 GLY 18 2HA GLY 18 4.328 1.456 6.169 136 HA3 GLY 18 1HA GLY 18 3.465 1.106 4.693 137 H LYS 19 HN LYS 19 4.710 0.033 3.438 138 HA LYS 19 HA LYS 19 7.455 0.932 2.938 139 HB2 LYS 19 2HB LYS 19 6.204 -1.791 3.094 140 HB3 LYS 19 1HB LYS 19 7.819 -1.530 2.433 141 HG2 LYS 19 2HG LYS 19 8.559 -0.612 4.556 142 HG3 LYS 19 1HG LYS 19 6.939 -0.841 5.224 143 HD2 LYS 19 2HD LYS 19 7.120 -3.232 4.857 144 HD3 LYS 19 1HD LYS 19 8.729 -3.015 4.166 145 HE2 LYS 19 2HE LYS 19 7.970 -2.194 6.966 146 HE3 LYS 19 1HE LYS 19 8.706 -3.745 6.571 147 HZ1 LYS 19 3HZ LYS 19 10.362 -2.148 7.293 148 HZ2 LYS 19 1HZ LYS 19 9.908 -1.078 6.062 149 HZ3 LYS 19 2HZ LYS 19 10.617 -2.564 5.673 150 H GLY 20 HN GLY 20 6.803 -1.558 0.868 151 HA2 GLY 20 2HA GLY 20 6.144 0.260 -1.293 152 HA3 GLY 20 1HA GLY 20 6.709 -1.405 -1.445 153 H LYS 21 HN LYS 21 5.152 -2.622 0.321 154 HA LYS 21 HA LYS 21 2.379 -2.165 -0.496 155 HB2 LYS 21 2HB LYS 21 4.019 -4.642 -0.819 156 HB3 LYS 21 1HB LYS 21 2.299 -4.800 -0.487 157 HG2 LYS 21 2HG LYS 21 2.291 -4.842 -2.765 158 HG3 LYS 21 1HG LYS 21 2.087 -3.112 -2.486 159 HD2 LYS 21 2HD LYS 21 4.407 -2.704 -2.901 160 HD3 LYS 21 1HD LYS 21 4.760 -4.431 -2.937 161 HE2 LYS 21 2HE LYS 21 3.327 -4.650 -4.930 162 HE3 LYS 21 1HE LYS 21 3.058 -2.907 -4.905 163 HZ1 LYS 21 3HZ LYS 21 5.421 -2.565 -5.233 164 HZ2 LYS 21 1HZ LYS 21 4.793 -3.529 -6.473 165 HZ3 LYS 21 2HZ LYS 21 5.695 -4.233 -5.229 166 H ASP 22 HN ASP 22 4.448 -2.328 2.059 167 HA ASP 22 HA ASP 22 2.850 -3.910 3.825 168 HB2 ASP 22 2HB ASP 22 5.414 -3.750 3.909 169 HB3 ASP 22 1HB ASP 22 5.157 -2.167 4.622 170 H VAL 23 HN VAL 23 2.296 -1.092 2.594 171 HA VAL 23 HA VAL 23 1.747 0.397 4.988 172 HB VAL 23 HB VAL 23 2.650 1.397 2.880 173 HG11 VAL 23 1HG1 VAL 23 0.827 2.064 1.240 174 HG12 VAL 23 2HG1 VAL 23 -0.140 0.778 1.943 175 HG13 VAL 23 3HG1 VAL 23 1.397 0.402 1.166 176 HG21 VAL 23 3HG2 VAL 23 1.111 2.443 4.821 177 HG22 VAL 23 1HG2 VAL 23 0.169 2.877 3.399 178 HG23 VAL 23 2HG2 VAL 23 1.852 3.390 3.532 179 H GLU 24 HN GLU 24 -0.300 1.211 5.510 180 HA GLU 24 HA GLU 24 -2.471 -0.586 4.684 181 HB2 GLU 24 2HB GLU 24 -3.581 0.243 6.818 182 HB3 GLU 24 1HB GLU 24 -2.201 -0.827 7.007 183 HG2 GLU 24 2HG GLU 24 -0.772 1.138 7.423 184 HG3 GLU 24 1HG GLU 24 -2.198 2.168 7.309 185 H TYR 25 HN TYR 25 -3.450 0.412 3.039 186 HA TYR 25 HA TYR 25 -4.105 3.255 3.282 187 HD1 TYR 25 HD1 TYR 25 -3.891 4.776 -0.064 188 HD2 TYR 25 HD2 TYR 25 -1.294 2.318 2.218 189 HE1 TYR 25 HE1 TYR 25 -2.070 6.397 -0.381 190 HE2 TYR 25 HE2 TYR 25 0.531 3.921 1.907 191 HH TYR 25 HH TYR 25 1.179 5.698 0.406 192 HB2 TYR 25 2HB TYR 25 -3.511 1.469 0.988 193 HB3 TYR 25 1HB TYR 25 -4.691 2.750 0.729 194 H LEU 26 HN LEU 26 -6.240 3.930 2.812 195 HA LEU 26 HA LEU 26 -8.260 1.937 3.401 196 HG LEU 26 HG LEU 26 -10.611 3.172 3.180 197 HB2 LEU 26 2HB LEU 26 -8.528 3.938 4.649 198 HB3 LEU 26 1HB LEU 26 -8.236 4.945 3.245 199 HD11 LEU 26 1HD1 LEU 26 -11.920 5.003 4.314 200 HD12 LEU 26 2HD1 LEU 26 -10.375 5.610 4.908 201 HD13 LEU 26 3HD1 LEU 26 -10.921 3.997 5.360 202 HD21 LEU 26 3HD2 LEU 26 -10.314 4.394 1.230 203 HD22 LEU 26 1HD2 LEU 26 -9.850 5.854 2.105 204 HD23 LEU 26 2HD2 LEU 26 -11.527 5.309 2.125 205 H VAL 27 HN VAL 27 -10.182 1.753 2.025 206 HA VAL 27 HA VAL 27 -9.764 2.806 -0.638 207 HB VAL 27 HB VAL 27 -9.285 1.019 -1.683 208 HG11 VAL 27 1HG1 VAL 27 -9.096 -0.420 0.938 209 HG12 VAL 27 2HG1 VAL 27 -7.879 0.679 0.289 210 HG13 VAL 27 3HG1 VAL 27 -8.250 -0.822 -0.557 211 HG21 VAL 27 3HG2 VAL 27 -11.469 0.149 -1.917 212 HG22 VAL 27 1HG2 VAL 27 -11.489 -0.429 -0.253 213 HG23 VAL 27 2HG2 VAL 27 -10.454 -1.211 -1.442 214 H ARG 28 HN ARG 28 -11.399 3.923 -1.118 215 HA ARG 28 HA ARG 28 -14.080 3.109 -0.346 216 HE ARG 28 HE ARG 28 -12.239 7.751 1.375 217 HB2 ARG 28 2HB ARG 28 -13.333 5.380 -2.167 218 HB3 ARG 28 1HB ARG 28 -14.807 5.203 -1.228 219 HG2 ARG 28 2HG ARG 28 -13.405 5.436 0.839 220 HG3 ARG 28 1HG ARG 28 -12.052 5.858 -0.212 221 HD2 ARG 28 2HD ARG 28 -13.366 7.730 -1.117 222 HD3 ARG 28 1HD ARG 28 -14.686 7.317 -0.025 223 HH11 ARG 28 1HH1 ARG 28 -14.924 9.365 -0.147 224 HH12 ARG 28 2HH1 ARG 28 -14.786 10.792 0.825 225 HH21 ARG 28 2HH2 ARG 28 -13.152 10.941 2.422 226 HH22 ARG 28 1HH2 ARG 28 -12.048 9.628 2.662 227 H TRP 29 HN TRP 29 -13.935 1.154 -1.425 228 HA TRP 29 HA TRP 29 -13.249 0.284 -3.782 229 HD1 TRP 29 HD1 TRP 29 -13.333 -1.144 -5.204 230 HE1 TRP 29 HE1 TRP 29 -13.415 -3.627 -5.880 231 HE3 TRP 29 HE3 TRP 29 -16.833 -2.789 -1.854 232 HZ2 TRP 29 HZ2 TRP 29 -14.779 -5.971 -5.098 233 HZ3 TRP 29 HZ3 TRP 29 -17.468 -5.164 -1.884 234 HH2 TRP 29 HH2 TRP 29 -16.462 -6.722 -3.474 235 HB2 TRP 29 2HB TRP 29 -14.983 -0.598 -1.974 236 HB3 TRP 29 1HB TRP 29 -16.133 -0.169 -3.235 237 H LYS 30 HN LYS 30 -12.977 1.874 -5.265 238 HA LYS 30 HA LYS 30 -14.382 3.730 -6.462 239 HB2 LYS 30 2HB LYS 30 -12.354 2.670 -7.440 240 HB3 LYS 30 1HB LYS 30 -13.373 1.409 -8.113 241 HG2 LYS 30 2HG LYS 30 -14.560 3.076 -9.445 242 HG3 LYS 30 1HG LYS 30 -13.532 4.343 -8.773 243 HD2 LYS 30 2HD LYS 30 -11.563 3.249 -9.736 244 HD3 LYS 30 1HD LYS 30 -12.595 1.986 -10.409 245 HE2 LYS 30 2HE LYS 30 -12.037 3.641 -12.104 246 HE3 LYS 30 1HE LYS 30 -13.765 3.659 -11.755 247 HZ1 LYS 30 3HZ LYS 30 -12.858 5.896 -11.919 248 HZ2 LYS 30 1HZ LYS 30 -11.770 5.572 -10.664 249 HZ3 LYS 30 2HZ LYS 30 -13.433 5.597 -10.357 250 H ASP 31 HN ASP 31 -15.342 0.343 -6.722 251 HA ASP 31 HA ASP 31 -17.913 1.204 -7.881 252 HB2 ASP 31 2HB ASP 31 -16.633 -0.178 -9.460 253 HB3 ASP 31 1HB ASP 31 -16.479 -1.442 -8.244 254 H GLY 32 HN GLY 32 -17.937 1.495 -5.318 255 HA2 GLY 32 2HA GLY 32 -19.493 -0.770 -4.313 256 HA3 GLY 32 1HA GLY 32 -18.088 -0.271 -3.375 257 H GLY 33 HN GLY 33 -19.205 0.367 -1.578 258 HA2 GLY 33 2HA GLY 33 -20.591 2.934 -1.846 259 HA3 GLY 33 1HA GLY 33 -21.441 1.621 -1.044 260 H ASP 34 HN ASP 34 -19.418 0.454 0.414 261 HA ASP 34 HA ASP 34 -18.990 2.486 2.462 262 HB2 ASP 34 2HB ASP 34 -18.589 -0.513 2.523 263 HB3 ASP 34 1HB ASP 34 -18.370 0.563 3.900 264 H CYS 35 HN CYS 35 -16.803 1.848 3.781 265 HA CYS 35 HA CYS 35 -14.594 1.484 1.911 266 HG CYS 35 HG CYS 35 -14.114 5.331 4.429 267 HB2 CYS 35 2HB CYS 35 -13.449 3.521 2.682 268 HB3 CYS 35 1HB CYS 35 -14.976 3.897 1.889 269 H GLU 36 HN GLU 36 -12.797 0.588 2.808 270 HA GLU 36 HA GLU 36 -12.702 0.290 5.728 271 HB2 GLU 36 2HB GLU 36 -12.264 -1.959 3.751 272 HB3 GLU 36 1HB GLU 36 -12.070 -2.071 5.493 273 HG2 GLU 36 2HG GLU 36 -14.657 -1.417 4.106 274 HG3 GLU 36 1HG GLU 36 -14.191 -3.024 4.663 275 H TRP 37 HN TRP 37 -10.468 -1.020 6.164 276 HA TRP 37 HA TRP 37 -8.414 0.636 4.885 277 HD1 TRP 37 HD1 TRP 37 -8.976 2.542 5.897 278 HE1 TRP 37 HE1 TRP 37 -9.864 4.149 7.701 279 HE3 TRP 37 HE3 TRP 37 -8.400 -0.452 9.999 280 HZ2 TRP 37 HZ2 TRP 37 -10.265 4.145 10.496 281 HZ3 TRP 37 HZ3 TRP 37 -9.058 0.425 12.201 282 HH2 TRP 37 HH2 TRP 37 -9.973 2.676 12.443 283 HB2 TRP 37 2HB TRP 37 -8.372 -0.882 7.500 284 HB3 TRP 37 1HB TRP 37 -7.045 0.083 6.869 285 H VAL 38 HN VAL 38 -6.526 -0.254 4.062 286 HA VAL 38 HA VAL 38 -6.720 -3.056 3.301 287 HB VAL 38 HB VAL 38 -4.669 -0.982 2.512 288 HG11 VAL 38 1HG1 VAL 38 -5.087 -3.841 1.705 289 HG12 VAL 38 2HG1 VAL 38 -3.606 -3.050 2.244 290 HG13 VAL 38 3HG1 VAL 38 -4.267 -2.698 0.651 291 HG21 VAL 38 3HG2 VAL 38 -7.143 -0.770 1.765 292 HG22 VAL 38 1HG2 VAL 38 -6.755 -2.122 0.703 293 HG23 VAL 38 2HG2 VAL 38 -5.861 -0.608 0.565 294 H LYS 39 HN LYS 39 -4.823 -4.470 3.513 295 HA LYS 39 HA LYS 39 -3.856 -4.360 6.181 296 HB2 LYS 39 2HB LYS 39 -4.480 -6.479 5.086 297 HB3 LYS 39 1HB LYS 39 -3.132 -6.282 3.974 298 HG2 LYS 39 2HG LYS 39 -1.567 -6.416 5.845 299 HG3 LYS 39 1HG LYS 39 -2.921 -6.619 6.959 300 HD2 LYS 39 2HD LYS 39 -2.134 -8.483 4.720 301 HD3 LYS 39 1HD LYS 39 -1.948 -8.777 6.450 302 HE2 LYS 39 2HE LYS 39 -4.544 -8.449 4.952 303 HE3 LYS 39 1HE LYS 39 -3.892 -9.953 5.598 304 HZ1 LYS 39 3HZ LYS 39 -4.076 -9.027 7.827 305 HZ2 LYS 39 1HZ LYS 39 -5.580 -9.033 7.052 306 HZ3 LYS 39 2HZ LYS 39 -4.712 -7.590 7.200 307 H GLY 40 HN GLY 40 -2.369 -2.995 6.743 308 HA2 GLY 40 2HA GLY 40 -0.135 -2.432 4.970 309 HA3 GLY 40 1HA GLY 40 -0.511 -1.580 6.459 310 H VAL 41 HN VAL 41 -0.185 -5.047 5.944 311 HA VAL 41 HA VAL 41 2.160 -5.032 7.731 312 HB VAL 41 HB VAL 41 0.558 -7.510 7.326 313 HG11 VAL 41 1HG1 VAL 41 1.282 -7.940 9.637 314 HG12 VAL 41 2HG1 VAL 41 2.096 -6.376 9.656 315 HG13 VAL 41 3HG1 VAL 41 2.636 -7.638 8.548 316 HG21 VAL 41 3HG2 VAL 41 -1.165 -5.873 7.840 317 HG22 VAL 41 1HG2 VAL 41 -0.236 -5.299 9.225 318 HG23 VAL 41 2HG2 VAL 41 -0.905 -6.931 9.227 319 H HIS 42 HN HIS 42 1.390 -5.213 4.586 320 HA HIS 42 HA HIS 42 2.805 -7.571 3.837 321 HD1 HIS 42 HD1 HIS 42 -0.807 -6.823 2.030 322 HD2 HIS 42 HD2 HIS 42 2.632 -9.102 1.538 323 HE1 HIS 42 HE1 HIS 42 -1.604 -9.092 1.296 324 HE2 HIS 42 HE2 HIS 42 0.487 -10.479 1.097 325 HB2 HIS 42 2HB HIS 42 1.206 -5.534 2.532 326 HB3 HIS 42 1HB HIS 42 2.596 -6.027 1.556 327 H VAL 43 HN VAL 43 4.592 -7.212 5.069 328 HA VAL 43 HA VAL 43 6.424 -5.151 4.790 329 HB VAL 43 HB VAL 43 6.998 -8.026 5.479 330 HG11 VAL 43 1HG1 VAL 43 8.896 -6.956 6.785 331 HG12 VAL 43 2HG1 VAL 43 8.601 -5.510 5.821 332 HG13 VAL 43 3HG1 VAL 43 9.073 -7.012 5.032 333 HG21 VAL 43 3HG2 VAL 43 6.595 -5.792 7.437 334 HG22 VAL 43 1HG2 VAL 43 6.556 -7.531 7.718 335 HG23 VAL 43 2HG2 VAL 43 5.240 -6.750 6.841 336 H ALA 44 HN ALA 44 6.278 -4.846 2.444 337 HA ALA 44 HA ALA 44 7.991 -6.637 0.919 338 HB1 ALA 44 3HB ALA 44 5.878 -5.718 -0.072 339 HB2 ALA 44 1HB ALA 44 7.326 -5.397 -1.024 340 HB3 ALA 44 2HB ALA 44 6.622 -4.120 -0.032 341 H GLU 45 HN GLU 45 9.407 -5.687 2.884 342 HA GLU 45 HA GLU 45 10.584 -3.223 2.891 343 HB2 GLU 45 2HB GLU 45 11.077 -4.919 4.569 344 HB3 GLU 45 1HB GLU 45 11.921 -5.892 3.373 345 HG2 GLU 45 2HG GLU 45 13.596 -4.124 3.124 346 HG3 GLU 45 1HG GLU 45 12.753 -3.164 4.339 347 H ASP 46 HN ASP 46 11.000 -5.781 0.605 348 HA ASP 46 HA ASP 46 13.403 -4.794 -0.593 349 HB2 ASP 46 2HB ASP 46 12.865 -6.313 -2.443 350 HB3 ASP 46 1HB ASP 46 12.683 -7.122 -0.891 351 H VAL 47 HN VAL 47 9.960 -4.490 -1.374 352 HA VAL 47 HA VAL 47 10.255 -2.935 -3.685 353 HB VAL 47 HB VAL 47 8.003 -2.824 -1.673 354 HG11 VAL 47 1HG1 VAL 47 6.655 -1.994 -3.511 355 HG12 VAL 47 2HG1 VAL 47 8.042 -2.087 -4.596 356 HG13 VAL 47 3HG1 VAL 47 8.046 -0.939 -3.257 357 HG21 VAL 47 3HG2 VAL 47 8.511 -5.100 -2.550 358 HG22 VAL 47 1HG2 VAL 47 8.204 -4.491 -4.175 359 HG23 VAL 47 2HG2 VAL 47 6.907 -4.509 -2.980 360 H ALA 48 HN ALA 48 9.835 -2.026 -0.350 361 HA ALA 48 HA ALA 48 9.957 0.769 -0.532 362 HB1 ALA 48 3HB ALA 48 10.273 0.711 1.877 363 HB2 ALA 48 1HB ALA 48 10.569 -1.026 1.803 364 HB3 ALA 48 2HB ALA 48 8.983 -0.383 1.376 365 H LYS 49 HN LYS 49 12.375 -1.590 0.625 366 HA LYS 49 HA LYS 49 14.482 0.212 0.939 367 HB2 LYS 49 2HB LYS 49 14.636 -2.015 1.863 368 HB3 LYS 49 1HB LYS 49 14.520 -2.735 0.264 369 HG2 LYS 49 2HG LYS 49 16.680 -1.754 -0.334 370 HG3 LYS 49 1HG LYS 49 16.795 -1.039 1.275 371 HD2 LYS 49 2HD LYS 49 16.578 -3.996 0.717 372 HD3 LYS 49 1HD LYS 49 18.089 -3.142 1.036 373 HE2 LYS 49 2HE LYS 49 15.737 -3.277 2.919 374 HE3 LYS 49 1HE LYS 49 17.188 -4.273 3.035 375 HZ1 LYS 49 3HZ LYS 49 18.501 -2.274 3.344 376 HZ2 LYS 49 1HZ LYS 49 17.286 -2.363 4.518 377 HZ3 LYS 49 2HZ LYS 49 17.119 -1.308 3.207 378 H ASP 50 HN ASP 50 13.294 -1.511 -1.862 379 HA ASP 50 HA ASP 50 15.442 -0.453 -3.499 380 HB2 ASP 50 2HB ASP 50 14.912 -2.040 -5.071 381 HB3 ASP 50 1HB ASP 50 14.376 -2.845 -3.602 382 H TYR 51 HN TYR 51 12.321 0.448 -2.538 383 HA TYR 51 HA TYR 51 11.545 1.790 -4.895 384 HD1 TYR 51 HD1 TYR 51 10.497 0.369 -5.350 385 HD2 TYR 51 HD2 TYR 51 7.642 2.195 -2.770 386 HE1 TYR 51 HE1 TYR 51 8.680 -0.671 -6.628 387 HE2 TYR 51 HE2 TYR 51 5.823 1.157 -4.045 388 HH TYR 51 HH TYR 51 6.330 -1.322 -6.297 389 HB2 TYR 51 2HB TYR 51 10.445 1.448 -2.247 390 HB3 TYR 51 1HB TYR 51 10.079 3.002 -2.949 391 H GLU 52 HN GLU 52 12.433 2.869 -1.681 392 HA GLU 52 HA GLU 52 12.961 5.552 -2.639 393 HB2 GLU 52 2HB GLU 52 13.072 6.210 -0.336 394 HB3 GLU 52 1HB GLU 52 11.666 5.176 -0.550 395 HG2 GLU 52 2HG GLU 52 12.852 3.304 0.411 396 HG3 GLU 52 1HG GLU 52 14.321 4.271 0.541 397 H ASP 53 HN ASP 53 14.645 2.873 -1.115 398 HA ASP 53 HA ASP 53 17.177 4.286 -1.148 399 HB2 ASP 53 2HB ASP 53 16.053 1.941 0.167 400 HB3 ASP 53 1HB ASP 53 17.693 1.663 -0.425 401 H GLY 54 HN GLY 54 15.526 1.797 -2.979 402 HA2 GLY 54 2HA GLY 54 17.776 0.756 -4.338 403 HA3 GLY 54 1HA GLY 54 16.112 0.667 -4.897 404 H LEU 55 HN LEU 55 15.442 3.263 -5.285 405 HA LEU 55 HA LEU 55 16.641 3.829 -7.773 406 HG LEU 55 HG LEU 55 15.999 6.942 -7.724 407 HB2 LEU 55 2HB LEU 55 14.345 4.459 -7.252 408 HB3 LEU 55 1HB LEU 55 14.908 5.557 -6.007 409 HD11 LEU 55 1HD1 LEU 55 14.718 5.038 -9.678 410 HD12 LEU 55 2HD1 LEU 55 16.446 5.187 -9.360 411 HD13 LEU 55 3HD1 LEU 55 15.563 6.531 -10.085 412 HD21 LEU 55 3HD2 LEU 55 13.086 6.386 -8.266 413 HD22 LEU 55 1HD2 LEU 55 13.961 7.849 -8.717 414 HD23 LEU 55 2HD2 LEU 55 13.720 7.454 -7.015 415 H GLU 56 HN GLU 56 16.550 6.043 -4.979 416 HA GLU 56 HA GLU 56 19.046 7.228 -5.878 417 HB2 GLU 56 2HB GLU 56 17.183 8.007 -3.648 418 HB3 GLU 56 1HB GLU 56 18.615 8.908 -4.114 419 HG2 GLU 56 2HG GLU 56 17.628 9.232 -6.355 420 HG3 GLU 56 1HG GLU 56 16.165 8.424 -5.792 421 H TYR 57 HN TYR 57 19.941 4.957 -5.274 422 HA TYR 57 HA TYR 57 20.425 4.466 -2.496 423 HD1 TYR 57 HD1 TYR 57 20.634 1.808 -1.742 424 HD2 TYR 57 HD2 TYR 57 23.936 2.772 -4.247 425 HE1 TYR 57 HE1 TYR 57 22.118 0.498 -0.283 426 HE2 TYR 57 HE2 TYR 57 25.428 1.464 -2.795 427 HH TYR 57 HH TYR 57 24.290 -0.680 -0.443 428 HB2 TYR 57 2HB TYR 57 20.350 2.629 -4.119 429 HB3 TYR 57 1HB TYR 57 21.750 3.296 -4.953 430 HA ALA 1 HA ALA 1 -12.583 -9.264 6.942 431 H1 ALA 1 1H ALA 1 -14.258 -10.882 7.500 432 H2 ALA 1 2H ALA 1 -15.380 -10.124 6.486 433 H3 ALA 1 3H ALA 1 -14.805 -9.322 7.860 434 HB1 ALA 1 3HB ALA 1 -12.699 -11.290 5.616 435 HB2 ALA 1 1HB ALA 1 -12.230 -9.925 4.602 436 HB3 ALA 1 2HB ALA 1 -13.881 -10.544 4.540 437 HA PRO 2 HA PRO 2 -14.115 -5.351 5.495 438 HB2 PRO 2 1HB PRO 2 -12.387 -4.509 6.781 439 HB3 PRO 2 2HB PRO 2 -11.782 -4.073 5.177 440 HG2 PRO 2 2HG PRO 2 -10.327 -5.881 5.095 441 HG3 PRO 2 1HG PRO 2 -10.302 -5.541 6.835 442 HD2 PRO 2 2HD PRO 2 -10.985 -7.969 5.766 443 HD3 PRO 2 1HD PRO 2 -11.568 -7.382 7.336 444 HA PRO 3 HA PRO 3 -13.804 -6.312 1.054 445 HB2 PRO 3 1HB PRO 3 -16.077 -6.182 0.870 446 HB3 PRO 3 2HB PRO 3 -15.756 -4.536 0.316 447 HG2 PRO 3 2HG PRO 3 -16.219 -3.609 2.388 448 HG3 PRO 3 1HG PRO 3 -17.319 -4.999 2.432 449 HD2 PRO 3 2HD PRO 3 -15.482 -4.573 4.354 450 HD3 PRO 3 1HD PRO 3 -15.937 -6.210 3.835 451 H GLY 4 HN GLY 4 -13.757 -3.154 2.605 452 HA2 GLY 4 2HA GLY 4 -12.891 -1.663 0.356 453 HA3 GLY 4 1HA GLY 4 -12.718 -1.183 2.036 454 H THR 5 HN THR 5 -11.281 -3.158 -0.508 455 HA THR 5 HA THR 5 -8.642 -2.443 0.425 456 HB THR 5 HB THR 5 -7.804 -4.742 0.538 457 HG1 THR 5 HG1 THR 5 -9.208 -5.911 -0.703 458 HG21 THR 5 3HG2 THR 5 -8.830 -5.391 2.655 459 HG22 THR 5 1HG2 THR 5 -10.181 -4.301 2.347 460 HG23 THR 5 2HG2 THR 5 -8.562 -3.650 2.602 461 H ALA 6 HN ALA 6 -6.934 -3.093 -1.069 462 HA ALA 6 HA ALA 6 -7.502 -4.241 -3.597 463 HB1 ALA 6 3HB ALA 6 -8.665 -2.119 -3.955 464 HB2 ALA 6 1HB ALA 6 -7.261 -2.268 -5.009 465 HB3 ALA 6 2HB ALA 6 -7.184 -1.240 -3.578 466 H ARG 7 HN ARG 7 -5.614 -5.216 -2.331 467 HA ARG 7 HA ARG 7 -3.189 -4.056 -1.860 468 HE ARG 7 HE ARG 7 -5.391 -7.611 -1.970 469 HB2 ARG 7 2HB ARG 7 -3.871 -6.813 -2.845 470 HB3 ARG 7 1HB ARG 7 -2.207 -6.343 -2.540 471 HG2 ARG 7 2HG ARG 7 -3.067 -7.489 -0.619 472 HG3 ARG 7 1HG ARG 7 -2.817 -5.794 -0.213 473 HD2 ARG 7 2HD ARG 7 -4.927 -6.673 0.687 474 HD3 ARG 7 1HD ARG 7 -5.184 -5.353 -0.451 475 HH11 ARG 7 1HH1 ARG 7 -6.938 -6.461 0.929 476 HH12 ARG 7 2HH1 ARG 7 -8.439 -7.260 0.600 477 HH21 ARG 7 2HH2 ARG 7 -8.678 -8.517 -1.302 478 HH22 ARG 7 1HH2 ARG 7 -7.360 -8.667 -2.414 479 H ARG 8 HN ARG 8 -1.545 -3.223 -3.007 480 HA ARG 8 HA ARG 8 -1.797 -2.371 -5.589 481 HE ARG 8 HE ARG 8 -1.199 -1.838 -7.387 482 HB2 ARG 8 2HB ARG 8 -0.065 -1.591 -4.017 483 HB3 ARG 8 1HB ARG 8 0.805 -3.103 -4.243 484 HG2 ARG 8 2HG ARG 8 1.878 -1.526 -5.619 485 HG3 ARG 8 1HG ARG 8 0.911 -2.530 -6.698 486 HD2 ARG 8 2HD ARG 8 -0.171 0.037 -5.596 487 HD3 ARG 8 1HD ARG 8 0.862 0.025 -7.023 488 HH11 ARG 8 1HH1 ARG 8 -0.733 1.603 -7.139 489 HH12 ARG 8 2HH1 ARG 8 -2.079 1.990 -8.158 490 HH21 ARG 8 2HH2 ARG 8 -3.352 0.319 -9.065 491 HH22 ARG 8 1HH2 ARG 8 -2.974 -1.339 -8.735 492 H LYS 9 HN LYS 9 0.482 -5.021 -4.788 493 HA LYS 9 HA LYS 9 -0.282 -6.286 -7.335 494 HB2 LYS 9 2HB LYS 9 2.562 -6.179 -6.342 495 HB3 LYS 9 1HB LYS 9 1.988 -6.701 -7.919 496 HG2 LYS 9 2HG LYS 9 1.149 -4.289 -8.187 497 HG3 LYS 9 1HG LYS 9 2.219 -3.930 -6.830 498 HD2 LYS 9 2HD LYS 9 3.413 -3.510 -8.867 499 HD3 LYS 9 1HD LYS 9 4.089 -4.952 -8.107 500 HE2 LYS 9 2HE LYS 9 2.829 -6.371 -9.622 501 HE3 LYS 9 1HE LYS 9 2.062 -4.957 -10.341 502 HZ1 LYS 9 3HZ LYS 9 4.229 -4.220 -11.113 503 HZ2 LYS 9 1HZ LYS 9 3.884 -5.770 -11.701 504 HZ3 LYS 9 2HZ LYS 9 4.967 -5.573 -10.416 505 H ARG 10 HN ARG 10 1.523 -8.408 -7.219 506 HA ARG 10 HA ARG 10 0.173 -10.310 -5.716 507 HE ARG 10 HE ARG 10 5.873 -9.825 -7.438 508 HB2 ARG 10 2HB ARG 10 2.167 -11.750 -6.166 509 HB3 ARG 10 1HB ARG 10 1.512 -10.962 -7.596 510 HG2 ARG 10 2HG ARG 10 3.276 -9.389 -7.652 511 HG3 ARG 10 1HG ARG 10 3.829 -9.848 -6.042 512 HD2 ARG 10 2HD ARG 10 4.422 -12.074 -6.900 513 HD3 ARG 10 1HD ARG 10 3.898 -11.583 -8.511 514 HH11 ARG 10 1HH1 ARG 10 5.405 -12.896 -9.011 515 HH12 ARG 10 2HH1 ARG 10 6.987 -12.921 -9.717 516 HH21 ARG 10 2HH2 ARG 10 8.439 -11.190 -9.345 517 HH22 ARG 10 1HH2 ARG 10 7.958 -9.848 -8.361 518 H LYS 11 HN LYS 11 2.502 -8.025 -4.687 519 HA LYS 11 HA LYS 11 3.229 -7.521 -2.590 520 HB2 LYS 11 2HB LYS 11 2.091 -10.147 -1.621 521 HB3 LYS 11 1HB LYS 11 2.547 -8.756 -0.655 522 HG2 LYS 11 2HG LYS 11 0.447 -8.073 -0.744 523 HG3 LYS 11 1HG LYS 11 0.650 -7.805 -2.477 524 HD2 LYS 11 2HD LYS 11 -0.222 -9.931 -3.008 525 HD3 LYS 11 1HD LYS 11 -0.062 -10.501 -1.347 526 HE2 LYS 11 2HE LYS 11 -1.807 -8.960 -0.643 527 HE3 LYS 11 1HE LYS 11 -1.937 -8.332 -2.285 528 HZ1 LYS 11 3HZ LYS 11 -2.636 -10.531 -3.021 529 HZ2 LYS 11 1HZ LYS 11 -3.675 -9.933 -1.826 530 HZ3 LYS 11 2HZ LYS 11 -2.530 -11.116 -1.438 531 H ALA 12 HN ALA 12 5.328 -7.669 -3.301 532 HA ALA 12 HA ALA 12 6.864 -9.841 -3.877 533 HB1 ALA 12 3HB ALA 12 7.589 -7.496 -4.095 534 HB2 ALA 12 1HB ALA 12 8.806 -8.515 -3.326 535 HB3 ALA 12 2HB ALA 12 7.822 -7.427 -2.348 536 H ASP 13 HN ASP 13 5.735 -8.891 -0.728 537 HA ASP 13 HA ASP 13 7.445 -10.941 0.507 538 HB2 ASP 13 2HB ASP 13 7.706 -8.753 1.521 539 HB3 ASP 13 1HB ASP 13 5.965 -8.612 1.748 540 H SER 14 HN SER 14 4.179 -10.046 -0.199 541 HA SER 14 HA SER 14 2.158 -11.000 0.267 542 HG SER 14 HG SER 14 4.901 -13.419 -0.334 543 HB2 SER 14 2HB SER 14 2.117 -13.465 0.009 544 HB3 SER 14 1HB SER 14 3.077 -12.678 -1.243 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 8.749 4.235 -6.537 2 H2 GLY 1 2H GLY 1 8.974 3.150 -5.257 3 H3 GLY 1 3H GLY 1 8.838 2.573 -6.840 4 HA2 GLY 1 1HA GLY 1 11.149 2.565 -6.021 5 HA3 GLY 1 2HA GLY 1 10.909 3.522 -7.474 6 H SER 2 HN SER 2 9.900 4.533 -4.263 7 HA SER 2 HA SER 2 12.126 5.990 -3.473 8 HG SER 2 HG SER 2 10.001 7.983 -6.184 9 HB2 SER 2 2HB SER 2 11.498 8.291 -4.123 10 HB3 SER 2 1HB SER 2 11.876 7.284 -5.518 11 H GLN 3 HN GLN 3 8.628 5.811 -3.616 12 HA GLN 3 HA GLN 3 8.341 7.174 -1.080 13 HB2 GLN 3 2HB GLN 3 6.331 5.869 -2.879 14 HB3 GLN 3 1HB GLN 3 5.924 6.735 -1.410 15 HG2 GLN 3 2HG GLN 3 7.228 7.888 -3.865 16 HG3 GLN 3 1HG GLN 3 5.556 8.120 -3.362 17 HE21 GLN 3 2HE2 GLN 3 6.259 10.590 -1.004 18 HE22 GLN 3 1HE2 GLN 3 5.101 9.473 -1.633 19 H VAL 4 HN VAL 4 7.891 6.204 0.851 20 HA VAL 4 HA VAL 4 8.347 3.331 0.956 21 HB VAL 4 HB VAL 4 7.933 4.983 3.408 22 HG11 VAL 4 1HG1 VAL 4 9.564 3.439 4.346 23 HG12 VAL 4 2HG1 VAL 4 9.781 2.696 2.762 24 HG13 VAL 4 3HG1 VAL 4 8.231 2.567 3.590 25 HG21 VAL 4 3HG2 VAL 4 10.417 5.018 1.708 26 HG22 VAL 4 1HG2 VAL 4 10.377 5.520 3.398 27 HG23 VAL 4 2HG2 VAL 4 9.429 6.394 2.195 28 H PHE 5 HN PHE 5 5.974 3.835 -0.195 29 HA PHE 5 HA PHE 5 4.166 2.352 1.295 30 1HB PHE 5 2HB PHE 5 2.495 4.339 1.675 31 2HB PHE 5 1HB PHE 5 3.761 4.028 2.847 32 HD1 PHE 5 HD1 PHE 5 4.086 4.795 3.590 33 HD2 PHE 5 HD2 PHE 5 4.337 6.769 -0.171 34 HE1 PHE 5 HE1 PHE 5 6.482 5.198 3.967 35 HE2 PHE 5 HE2 PHE 5 6.736 7.172 0.198 36 HZ PHE 5 HZ PHE 5 5.312 9.380 1.283 37 H GLU 6 HN GLU 6 2.348 1.842 0.076 38 HA GLU 6 HA GLU 6 1.944 3.321 -2.432 39 HB2 GLU 6 2HB GLU 6 2.491 0.425 -2.048 40 HB3 GLU 6 1HB GLU 6 1.315 0.874 -3.274 41 HG2 GLU 6 2HG GLU 6 3.633 0.623 -4.116 42 HG3 GLU 6 1HG GLU 6 2.880 2.183 -4.446 43 H TYR 7 HN TYR 7 -0.183 3.279 -3.292 44 HA TYR 7 HA TYR 7 -2.172 2.879 -1.240 45 HD1 TYR 7 HD1 TYR 7 -3.984 3.352 -5.025 46 HD2 TYR 7 HD2 TYR 7 -0.459 5.491 -3.974 47 HE1 TYR 7 HE1 TYR 7 -3.487 3.694 -7.410 48 HE2 TYR 7 HE2 TYR 7 0.048 5.838 -6.355 49 HH TYR 7 HH TYR 7 -2.193 5.296 -8.811 50 HB2 TYR 7 2HB TYR 7 -3.631 4.167 -2.751 51 HB3 TYR 7 1HB TYR 7 -2.165 5.026 -2.317 52 H ALA 8 HN ALA 8 -3.162 1.061 -1.066 53 HA ALA 8 HA ALA 8 -3.679 -0.559 -3.462 54 HB1 ALA 8 3HB ALA 8 -3.433 -1.166 -0.548 55 HB2 ALA 8 1HB ALA 8 -2.723 -1.992 -1.934 56 HB3 ALA 8 2HB ALA 8 -4.430 -2.215 -1.554 57 H GLU 9 HN GLU 9 -5.213 1.558 -3.575 58 HA GLU 9 HA GLU 9 -7.801 0.730 -2.487 59 HB2 GLU 9 2HB GLU 9 -8.257 2.842 -1.862 60 HB3 GLU 9 1HB GLU 9 -6.519 2.972 -1.858 61 HG2 GLU 9 2HG GLU 9 -8.314 3.803 -4.116 62 HG3 GLU 9 1HG GLU 9 -7.628 4.882 -2.911 63 H VAL 10 HN VAL 10 -9.653 1.463 -3.650 64 HA VAL 10 HA VAL 10 -9.238 0.859 -6.420 65 HB VAL 10 HB VAL 10 -11.752 0.788 -4.848 66 HG11 VAL 10 1HG1 VAL 10 -11.734 1.010 -7.462 67 HG12 VAL 10 2HG1 VAL 10 -12.838 -0.107 -6.664 68 HG13 VAL 10 3HG1 VAL 10 -11.345 -0.706 -7.386 69 HG21 VAL 10 3HG2 VAL 10 -11.249 -1.773 -5.252 70 HG22 VAL 10 1HG2 VAL 10 -10.586 -0.899 -3.868 71 HG23 VAL 10 2HG2 VAL 10 -9.591 -1.178 -5.298 72 H ASP 11 HN ASP 11 -10.186 3.442 -4.404 73 HA ASP 11 HA ASP 11 -10.463 5.131 -6.755 74 HB2 ASP 11 2HB ASP 11 -12.761 4.344 -6.262 75 HB3 ASP 11 1HB ASP 11 -12.628 5.035 -4.649 76 H GLU 12 HN GLU 12 -10.345 4.914 -3.225 77 HA GLU 12 HA GLU 12 -8.730 7.317 -3.120 78 HB2 GLU 12 2HB GLU 12 -11.526 7.265 -2.022 79 HB3 GLU 12 1HB GLU 12 -10.299 8.322 -1.335 80 HG2 GLU 12 2HG GLU 12 -11.132 8.319 -4.227 81 HG3 GLU 12 1HG GLU 12 -11.746 9.429 -3.001 82 H ILE 13 HN ILE 13 -7.933 7.787 -0.888 83 HA ILE 13 HA ILE 13 -8.164 5.476 0.913 84 HB ILE 13 HB ILE 13 -5.794 5.286 1.266 85 HG12 ILE 13 2HG1 ILE 13 -5.285 7.737 1.109 86 HG13 ILE 13 1HG1 ILE 13 -4.155 6.740 0.194 87 HG21 ILE 13 1HG2 ILE 13 -7.021 4.745 -1.122 88 HG22 ILE 13 2HG2 ILE 13 -5.470 4.119 -0.591 89 HG23 ILE 13 3HG2 ILE 13 -5.539 5.553 -1.613 90 HD11 ILE 13 3HD1 ILE 13 -6.200 8.657 -0.761 91 HD12 ILE 13 1HD1 ILE 13 -5.855 7.245 -1.760 92 HD13 ILE 13 2HD1 ILE 13 -4.559 8.365 -1.335 93 H VAL 14 HN VAL 14 -6.457 6.272 2.908 94 HA VAL 14 HA VAL 14 -6.985 9.044 3.587 95 HB VAL 14 HB VAL 14 -8.040 6.790 5.305 96 HG11 VAL 14 1HG1 VAL 14 -8.812 8.551 6.823 97 HG12 VAL 14 2HG1 VAL 14 -8.022 9.765 5.816 98 HG13 VAL 14 3HG1 VAL 14 -7.055 8.560 6.667 99 HG21 VAL 14 3HG2 VAL 14 -9.561 7.204 3.525 100 HG22 VAL 14 1HG2 VAL 14 -9.412 8.951 3.718 101 HG23 VAL 14 2HG2 VAL 14 -10.218 7.991 4.959 102 H GLU 15 HN GLU 15 -5.996 5.977 5.086 103 HA GLU 15 HA GLU 15 -3.769 7.350 6.383 104 HB2 GLU 15 2HB GLU 15 -4.701 4.479 6.605 105 HB3 GLU 15 1HB GLU 15 -3.420 5.210 7.563 106 HG2 GLU 15 2HG GLU 15 -6.333 5.963 7.587 107 HG3 GLU 15 1HG GLU 15 -5.455 5.097 8.846 108 H LYS 16 HN LYS 16 -1.632 7.011 5.874 109 HA LYS 16 HA LYS 16 -0.936 4.945 3.942 110 HB2 LYS 16 2HB LYS 16 0.242 6.674 2.503 111 HB3 LYS 16 1HB LYS 16 -1.514 6.663 2.413 112 HG2 LYS 16 2HG LYS 16 -1.616 8.585 3.903 113 HG3 LYS 16 1HG LYS 16 0.142 8.583 4.043 114 HD2 LYS 16 2HD LYS 16 -0.499 10.259 2.447 115 HD3 LYS 16 1HD LYS 16 0.284 8.931 1.587 116 HE2 LYS 16 2HE LYS 16 -1.650 9.616 0.343 117 HE3 LYS 16 1HE LYS 16 -1.967 8.030 1.047 118 HZ1 LYS 16 3HZ LYS 16 -3.219 9.112 2.815 119 HZ2 LYS 16 1HZ LYS 16 -3.866 9.497 1.298 120 HZ3 LYS 16 2HZ LYS 16 -2.921 10.628 2.126 121 H ARG 17 HN ARG 17 0.503 4.057 5.475 122 HA ARG 17 HA ARG 17 3.023 5.446 5.789 123 HE ARG 17 HE ARG 17 5.167 5.488 10.382 124 HB2 ARG 17 2HB ARG 17 1.742 6.321 7.691 125 HB3 ARG 17 1HB ARG 17 1.401 4.680 8.223 126 HG2 ARG 17 2HG ARG 17 3.780 4.310 8.622 127 HG3 ARG 17 1HG ARG 17 4.128 5.951 8.076 128 HD2 ARG 17 2HD ARG 17 2.749 6.843 9.892 129 HD3 ARG 17 1HD ARG 17 2.405 5.203 10.437 130 HH11 ARG 17 1HH1 ARG 17 2.441 6.853 12.064 131 HH12 ARG 17 2HH1 ARG 17 3.339 7.204 13.503 132 HH21 ARG 17 2HH2 ARG 17 5.567 6.689 13.621 133 HH22 ARG 17 1HH2 ARG 17 6.359 5.945 12.273 134 H GLY 18 HN GLY 18 3.972 3.674 4.657 135 HA2 GLY 18 2HA GLY 18 4.285 1.313 6.319 136 HA3 GLY 18 1HA GLY 18 3.475 1.057 4.795 137 H LYS 19 HN LYS 19 4.780 -0.079 3.645 138 HA LYS 19 HA LYS 19 7.569 0.754 3.318 139 HB2 LYS 19 2HB LYS 19 6.224 -1.928 3.214 140 HB3 LYS 19 1HB LYS 19 7.917 -1.676 2.799 141 HG2 LYS 19 2HG LYS 19 8.336 -0.872 5.080 142 HG3 LYS 19 1HG LYS 19 6.649 -1.218 5.485 143 HD2 LYS 19 2HD LYS 19 7.003 -3.555 4.852 144 HD3 LYS 19 1HD LYS 19 8.696 -3.199 4.519 145 HE2 LYS 19 2HE LYS 19 7.357 -2.818 7.198 146 HE3 LYS 19 1HE LYS 19 8.313 -4.231 6.756 147 HZ1 LYS 19 3HZ LYS 19 9.311 -1.435 6.848 148 HZ2 LYS 19 1HZ LYS 19 10.229 -2.798 6.441 149 HZ3 LYS 19 2HZ LYS 19 9.616 -2.627 8.008 150 H GLY 20 HN GLY 20 7.054 -1.618 1.140 151 HA2 GLY 20 2HA GLY 20 6.592 0.250 -1.018 152 HA3 GLY 20 1HA GLY 20 7.108 -1.430 -1.155 153 H LYS 21 HN LYS 21 5.355 -2.590 0.493 154 HA LYS 21 HA LYS 21 2.676 -2.022 -0.535 155 HB2 LYS 21 2HB LYS 21 3.810 -4.813 -0.418 156 HB3 LYS 21 1HB LYS 21 2.312 -4.287 -1.170 157 HG2 LYS 21 2HG LYS 21 5.016 -3.383 -2.108 158 HG3 LYS 21 1HG LYS 21 4.211 -4.824 -2.728 159 HD2 LYS 21 2HD LYS 21 2.397 -3.535 -3.584 160 HD3 LYS 21 1HD LYS 21 2.963 -2.082 -2.756 161 HE2 LYS 21 2HE LYS 21 3.443 -2.293 -5.264 162 HE3 LYS 21 1HE LYS 21 4.775 -1.820 -4.209 163 HZ1 LYS 21 3HZ LYS 21 5.677 -3.988 -4.301 164 HZ2 LYS 21 1HZ LYS 21 5.310 -3.566 -5.898 165 HZ3 LYS 21 2HZ LYS 21 4.299 -4.624 -5.050 166 H ASP 22 HN ASP 22 4.525 -2.327 2.170 167 HA ASP 22 HA ASP 22 2.781 -3.963 3.739 168 HB2 ASP 22 2HB ASP 22 5.277 -3.990 4.052 169 HB3 ASP 22 1HB ASP 22 5.120 -2.355 4.644 170 H VAL 23 HN VAL 23 2.344 -1.107 2.601 171 HA VAL 23 HA VAL 23 1.749 0.336 5.006 172 HB VAL 23 HB VAL 23 2.742 1.334 2.929 173 HG11 VAL 23 1HG1 VAL 23 1.453 0.437 1.173 174 HG12 VAL 23 2HG1 VAL 23 0.965 2.125 1.285 175 HG13 VAL 23 3HG1 VAL 23 -0.070 0.872 1.945 176 HG21 VAL 23 3HG2 VAL 23 0.319 2.906 3.449 177 HG22 VAL 23 1HG2 VAL 23 2.019 3.342 3.625 178 HG23 VAL 23 2HG2 VAL 23 1.214 2.391 4.875 179 H GLU 24 HN GLU 24 -0.283 1.211 5.484 180 HA GLU 24 HA GLU 24 -2.492 -0.495 4.570 181 HB2 GLU 24 2HB GLU 24 -3.644 0.317 6.668 182 HB3 GLU 24 1HB GLU 24 -2.264 -0.742 6.912 183 HG2 GLU 24 2HG GLU 24 -0.863 1.189 7.420 184 HG3 GLU 24 1HG GLU 24 -2.239 2.259 7.154 185 H TYR 25 HN TYR 25 -3.506 0.507 2.973 186 HA TYR 25 HA TYR 25 -4.037 3.381 3.193 187 HD1 TYR 25 HD1 TYR 25 -3.730 4.871 -0.187 188 HD2 TYR 25 HD2 TYR 25 -1.242 2.403 2.212 189 HE1 TYR 25 HE1 TYR 25 -1.870 6.423 -0.551 190 HE2 TYR 25 HE2 TYR 25 0.630 3.953 1.855 191 HH TYR 25 HH TYR 25 1.329 5.645 0.187 192 HB2 TYR 25 2HB TYR 25 -3.461 1.588 0.899 193 HB3 TYR 25 1HB TYR 25 -4.601 2.900 0.627 194 H LEU 26 HN LEU 26 -6.158 4.115 2.667 195 HA LEU 26 HA LEU 26 -8.236 2.186 3.261 196 HG LEU 26 HG LEU 26 -10.551 3.500 2.992 197 HB2 LEU 26 2HB LEU 26 -8.468 4.198 4.486 198 HB3 LEU 26 1HB LEU 26 -8.119 5.186 3.082 199 HD11 LEU 26 1HD1 LEU 26 -11.699 5.612 4.045 200 HD12 LEU 26 2HD1 LEU 26 -10.142 5.769 4.859 201 HD13 LEU 26 3HD1 LEU 26 -11.097 4.300 5.057 202 HD21 LEU 26 3HD2 LEU 26 -10.179 4.700 1.037 203 HD22 LEU 26 1HD2 LEU 26 -9.712 6.156 1.913 204 HD23 LEU 26 2HD2 LEU 26 -11.396 5.638 1.904 205 H VAL 27 HN VAL 27 -10.158 2.039 1.897 206 HA VAL 27 HA VAL 27 -9.745 3.062 -0.768 207 HB VAL 27 HB VAL 27 -9.288 1.274 -1.817 208 HG11 VAL 27 1HG1 VAL 27 -7.801 0.947 0.053 209 HG12 VAL 27 2HG1 VAL 27 -8.263 -0.594 -0.672 210 HG13 VAL 27 3HG1 VAL 27 -9.010 -0.071 0.839 211 HG21 VAL 27 3HG2 VAL 27 -11.446 -0.185 -0.343 212 HG22 VAL 27 1HG2 VAL 27 -10.424 -0.963 -1.548 213 HG23 VAL 27 2HG2 VAL 27 -11.463 0.386 -2.007 214 H ARG 28 HN ARG 28 -11.380 4.209 -1.198 215 HA ARG 28 HA ARG 28 -14.054 3.424 -0.411 216 HE ARG 28 HE ARG 28 -14.360 7.046 -3.434 217 HB2 ARG 28 2HB ARG 28 -13.237 5.855 -0.625 218 HB3 ARG 28 1HB ARG 28 -13.272 5.581 -2.362 219 HG2 ARG 28 2HG ARG 28 -15.651 5.157 -2.290 220 HG3 ARG 28 1HG ARG 28 -15.648 5.331 -0.534 221 HD2 ARG 28 2HD ARG 28 -16.443 7.358 -1.706 222 HD3 ARG 28 1HD ARG 28 -15.011 7.648 -0.718 223 HH11 ARG 28 1HH1 ARG 28 -15.413 9.575 -1.282 224 HH12 ARG 28 2HH1 ARG 28 -14.757 10.851 -2.253 225 HH21 ARG 28 2HH2 ARG 28 -13.663 10.364 -4.207 226 HH22 ARG 28 1HH2 ARG 28 -13.492 8.717 -4.718 227 H TRP 29 HN TRP 29 -13.707 1.384 -1.381 228 HA TRP 29 HA TRP 29 -13.106 0.431 -3.720 229 HD1 TRP 29 HD1 TRP 29 -13.048 -1.159 -4.938 230 HE1 TRP 29 HE1 TRP 29 -12.698 -3.701 -5.165 231 HE3 TRP 29 HE3 TRP 29 -16.073 -2.742 -1.132 232 HZ2 TRP 29 HZ2 TRP 29 -13.588 -6.063 -3.898 233 HZ3 TRP 29 HZ3 TRP 29 -16.270 -5.157 -0.705 234 HH2 TRP 29 HH2 TRP 29 -15.052 -6.782 -2.060 235 HB2 TRP 29 2HB TRP 29 -14.763 -0.381 -1.732 236 HB3 TRP 29 1HB TRP 29 -15.882 -0.296 -3.088 237 H LYS 30 HN LYS 30 -13.071 1.997 -5.290 238 HA LYS 30 HA LYS 30 -14.788 3.640 -6.445 239 HB2 LYS 30 2HB LYS 30 -12.682 2.900 -7.516 240 HB3 LYS 30 1HB LYS 30 -13.499 1.454 -8.081 241 HG2 LYS 30 2HG LYS 30 -15.012 2.816 -9.415 242 HG3 LYS 30 1HG LYS 30 -14.212 4.280 -8.836 243 HD2 LYS 30 2HD LYS 30 -13.410 3.650 -11.058 244 HD3 LYS 30 1HD LYS 30 -12.119 3.548 -9.859 245 HE2 LYS 30 2HE LYS 30 -12.470 1.125 -9.704 246 HE3 LYS 30 1HE LYS 30 -13.742 1.236 -10.920 247 HZ1 LYS 30 3HZ LYS 30 -11.655 0.532 -11.898 248 HZ2 LYS 30 1HZ LYS 30 -10.884 1.929 -11.335 249 HZ3 LYS 30 2HZ LYS 30 -12.101 2.047 -12.503 250 H ASP 31 HN ASP 31 -15.276 0.156 -6.551 251 HA ASP 31 HA ASP 31 -17.975 0.610 -7.649 252 HB2 ASP 31 2HB ASP 31 -16.214 -1.843 -7.910 253 HB3 ASP 31 1HB ASP 31 -17.865 -1.713 -8.508 254 H GLY 32 HN GLY 32 -17.934 1.054 -5.101 255 HA2 GLY 32 2HA GLY 32 -19.129 -1.337 -3.900 256 HA3 GLY 32 1HA GLY 32 -17.801 -0.556 -3.045 257 H GLY 33 HN GLY 33 -19.437 -0.393 -1.342 258 HA2 GLY 33 2HA GLY 33 -21.034 2.065 -1.700 259 HA3 GLY 33 1HA GLY 33 -21.670 0.672 -0.837 260 H ASP 34 HN ASP 34 -19.434 -0.075 0.630 261 HA ASP 34 HA ASP 34 -19.315 2.120 2.561 262 HB2 ASP 34 2HB ASP 34 -18.548 -0.791 2.874 263 HB3 ASP 34 1HB ASP 34 -18.574 0.410 4.162 264 H CYS 35 HN CYS 35 -17.064 1.683 3.945 265 HA CYS 35 HA CYS 35 -14.843 1.556 2.049 266 HG CYS 35 HG CYS 35 -12.468 2.875 3.020 267 HB2 CYS 35 2HB CYS 35 -15.517 3.937 2.183 268 HB3 CYS 35 1HB CYS 35 -15.262 3.893 3.925 269 H GLU 36 HN GLU 36 -12.895 0.931 2.933 270 HA GLU 36 HA GLU 36 -12.673 0.625 5.818 271 HB2 GLU 36 2HB GLU 36 -12.582 -1.712 3.907 272 HB3 GLU 36 1HB GLU 36 -11.964 -1.777 5.551 273 HG2 GLU 36 2HG GLU 36 -14.809 -1.116 4.832 274 HG3 GLU 36 1HG GLU 36 -14.236 -2.722 5.283 275 H TRP 37 HN TRP 37 -10.426 -0.727 6.134 276 HA TRP 37 HA TRP 37 -8.457 0.857 4.647 277 HD1 TRP 37 HD1 TRP 37 -9.076 2.754 5.626 278 HE1 TRP 37 HE1 TRP 37 -9.818 4.428 7.434 279 HE3 TRP 37 HE3 TRP 37 -7.939 0.012 9.787 280 HZ2 TRP 37 HZ2 TRP 37 -9.909 4.569 10.252 281 HZ3 TRP 37 HZ3 TRP 37 -8.382 0.989 12.000 282 HH2 TRP 37 HH2 TRP 37 -9.347 3.221 12.226 283 HB2 TRP 37 2HB TRP 37 -8.220 -0.567 7.303 284 HB3 TRP 37 1HB TRP 37 -6.955 0.389 6.545 285 H VAL 38 HN VAL 38 -6.525 -0.092 3.896 286 HA VAL 38 HA VAL 38 -6.832 -2.874 3.092 287 HB VAL 38 HB VAL 38 -4.660 -0.895 2.386 288 HG11 VAL 38 1HG1 VAL 38 -4.241 -2.548 0.524 289 HG12 VAL 38 2HG1 VAL 38 -5.253 -3.678 1.416 290 HG13 VAL 38 3HG1 VAL 38 -3.763 -3.069 2.136 291 HG21 VAL 38 3HG2 VAL 38 -6.740 -1.855 0.486 292 HG22 VAL 38 1HG2 VAL 38 -5.800 -0.365 0.462 293 HG23 VAL 38 2HG2 VAL 38 -7.127 -0.554 1.610 294 H LYS 39 HN LYS 39 -4.987 -4.368 3.296 295 HA LYS 39 HA LYS 39 -4.051 -4.353 5.975 296 HB2 LYS 39 2HB LYS 39 -4.727 -6.429 4.855 297 HB3 LYS 39 1HB LYS 39 -3.399 -6.244 3.719 298 HG2 LYS 39 2HG LYS 39 -1.794 -6.494 5.528 299 HG3 LYS 39 1HG LYS 39 -3.115 -6.637 6.691 300 HD2 LYS 39 2HD LYS 39 -3.901 -8.654 5.534 301 HD3 LYS 39 1HD LYS 39 -2.562 -8.516 4.393 302 HE2 LYS 39 2HE LYS 39 -2.036 -10.150 6.102 303 HE3 LYS 39 1HE LYS 39 -0.977 -8.752 6.252 304 HZ1 LYS 39 3HZ LYS 39 -1.770 -9.456 8.408 305 HZ2 LYS 39 1HZ LYS 39 -3.379 -9.300 7.908 306 HZ3 LYS 39 2HZ LYS 39 -2.398 -7.930 8.040 307 H GLY 40 HN GLY 40 -2.568 -2.967 6.537 308 HA2 GLY 40 2HA GLY 40 -0.284 -2.468 4.818 309 HA3 GLY 40 1HA GLY 40 -0.660 -1.623 6.310 310 H VAL 41 HN VAL 41 -0.332 -5.079 5.673 311 HA VAL 41 HA VAL 41 1.967 -5.138 7.515 312 HB VAL 41 HB VAL 41 0.297 -7.567 7.073 313 HG11 VAL 41 1HG1 VAL 41 2.406 -7.730 8.283 314 HG12 VAL 41 2HG1 VAL 41 1.037 -8.113 9.324 315 HG13 VAL 41 3HG1 VAL 41 1.832 -6.544 9.454 316 HG21 VAL 41 3HG2 VAL 41 -1.080 -6.942 9.070 317 HG22 VAL 41 1HG2 VAL 41 -1.408 -5.977 7.631 318 HG23 VAL 41 2HG2 VAL 41 -0.429 -5.309 8.937 319 H HIS 42 HN HIS 42 1.328 -5.153 4.386 320 HA HIS 42 HA HIS 42 2.598 -7.564 3.537 321 HD1 HIS 42 HD1 HIS 42 -0.265 -7.824 2.701 322 HD2 HIS 42 HD2 HIS 42 2.470 -7.610 -0.420 323 HE1 HIS 42 HE1 HIS 42 -0.884 -9.690 1.135 324 HE2 HIS 42 HE2 HIS 42 0.710 -9.464 -0.803 325 HB2 HIS 42 2HB HIS 42 1.086 -5.460 2.351 326 HB3 HIS 42 1HB HIS 42 2.594 -5.648 1.450 327 H VAL 43 HN VAL 43 4.364 -7.392 4.886 328 HA VAL 43 HA VAL 43 6.312 -5.425 4.812 329 HB VAL 43 HB VAL 43 6.685 -8.361 5.373 330 HG11 VAL 43 1HG1 VAL 43 8.430 -5.975 5.926 331 HG12 VAL 43 2HG1 VAL 43 8.842 -7.453 5.058 332 HG13 VAL 43 3HG1 VAL 43 8.589 -7.495 6.802 333 HG21 VAL 43 3HG2 VAL 43 4.970 -7.362 6.780 334 HG22 VAL 43 1HG2 VAL 43 6.074 -6.062 7.228 335 HG23 VAL 43 2HG2 VAL 43 6.416 -7.719 7.725 336 H ALA 44 HN ALA 44 6.285 -4.993 2.477 337 HA ALA 44 HA ALA 44 8.014 -6.756 0.939 338 HB1 ALA 44 3HB ALA 44 5.969 -5.732 -0.093 339 HB2 ALA 44 1HB ALA 44 7.465 -5.404 -0.967 340 HB3 ALA 44 2HB ALA 44 6.752 -4.159 0.059 341 H GLU 45 HN GLU 45 9.323 -5.898 3.039 342 HA GLU 45 HA GLU 45 10.575 -3.486 3.190 343 HB2 GLU 45 2HB GLU 45 12.251 -4.499 4.476 344 HB3 GLU 45 1HB GLU 45 10.872 -5.569 4.674 345 HG2 GLU 45 2HG GLU 45 11.833 -7.079 2.974 346 HG3 GLU 45 1HG GLU 45 13.231 -6.013 2.853 347 H ASP 46 HN ASP 46 11.072 -5.978 0.851 348 HA ASP 46 HA ASP 46 13.534 -4.988 -0.214 349 HB2 ASP 46 2HB ASP 46 12.736 -7.316 -0.551 350 HB3 ASP 46 1HB ASP 46 11.437 -6.698 -1.565 351 H VAL 47 HN VAL 47 10.129 -4.579 -1.071 352 HA VAL 47 HA VAL 47 10.571 -3.007 -3.373 353 HB VAL 47 HB VAL 47 8.208 -2.993 -1.483 354 HG11 VAL 47 1HG1 VAL 47 8.326 -0.996 -2.917 355 HG12 VAL 47 2HG1 VAL 47 6.953 -2.027 -3.317 356 HG13 VAL 47 3HG1 VAL 47 8.391 -2.039 -4.338 357 HG21 VAL 47 3HG2 VAL 47 8.508 -4.458 -4.098 358 HG22 VAL 47 1HG2 VAL 47 7.190 -4.589 -2.934 359 HG23 VAL 47 2HG2 VAL 47 8.794 -5.197 -2.523 360 H ALA 48 HN ALA 48 9.952 -2.191 -0.054 361 HA ALA 48 HA ALA 48 10.041 0.600 -0.135 362 HB1 ALA 48 3HB ALA 48 10.442 -1.345 2.119 363 HB2 ALA 48 1HB ALA 48 8.964 -0.485 1.687 364 HB3 ALA 48 2HB ALA 48 10.346 0.405 2.325 365 H LYS 49 HN LYS 49 12.436 -1.782 1.027 366 HA LYS 49 HA LYS 49 14.497 0.064 1.511 367 HB2 LYS 49 2HB LYS 49 14.551 -2.205 2.412 368 HB3 LYS 49 1HB LYS 49 14.656 -2.873 0.790 369 HG2 LYS 49 2HG LYS 49 16.841 -1.879 0.486 370 HG3 LYS 49 1HG LYS 49 16.733 -1.108 2.070 371 HD2 LYS 49 2HD LYS 49 18.098 -3.113 2.203 372 HD3 LYS 49 1HD LYS 49 16.607 -3.328 3.122 373 HE2 LYS 49 2HE LYS 49 17.074 -5.331 1.856 374 HE3 LYS 49 1HE LYS 49 15.638 -4.541 1.206 375 HZ1 LYS 49 3HZ LYS 49 17.015 -3.593 -0.553 376 HZ2 LYS 49 1HZ LYS 49 17.090 -5.283 -0.563 377 HZ3 LYS 49 2HZ LYS 49 18.377 -4.384 0.065 378 H ASP 50 HN ASP 50 13.427 -1.592 -1.345 379 HA ASP 50 HA ASP 50 15.657 -0.586 -2.927 380 HB2 ASP 50 2HB ASP 50 14.634 -2.955 -3.119 381 HB3 ASP 50 1HB ASP 50 13.326 -2.160 -3.993 382 H TYR 51 HN TYR 51 12.613 0.454 -1.945 383 HA TYR 51 HA TYR 51 11.941 1.818 -4.344 384 HD1 TYR 51 HD1 TYR 51 10.983 0.362 -4.981 385 HD2 TYR 51 HD2 TYR 51 7.877 1.968 -2.546 386 HE1 TYR 51 HE1 TYR 51 9.309 -0.631 -6.469 387 HE2 TYR 51 HE2 TYR 51 6.203 0.969 -4.038 388 HH TYR 51 HH TYR 51 5.998 0.180 -6.318 389 HB2 TYR 51 2HB TYR 51 10.616 1.328 -1.822 390 HB3 TYR 51 1HB TYR 51 10.266 2.894 -2.515 391 H GLU 52 HN GLU 52 12.415 2.825 -1.003 392 HA GLU 52 HA GLU 52 13.032 5.537 -1.811 393 HB2 GLU 52 2HB GLU 52 12.959 6.082 0.522 394 HB3 GLU 52 1HB GLU 52 11.606 5.013 0.178 395 HG2 GLU 52 2HG GLU 52 12.837 3.131 1.105 396 HG3 GLU 52 1HG GLU 52 14.221 4.176 1.414 397 H ASP 53 HN ASP 53 14.622 2.812 -0.252 398 HA ASP 53 HA ASP 53 17.155 4.218 -0.115 399 HB2 ASP 53 2HB ASP 53 16.043 1.672 0.936 400 HB3 ASP 53 1HB ASP 53 17.789 1.741 0.683 401 H GLY 54 HN GLY 54 15.516 2.118 -2.285 402 HA2 GLY 54 2HA GLY 54 17.897 1.029 -3.492 403 HA3 GLY 54 1HA GLY 54 16.254 0.865 -4.092 404 H LEU 55 HN LEU 55 15.836 3.799 -4.014 405 HA LEU 55 HA LEU 55 17.004 4.371 -6.606 406 HG LEU 55 HG LEU 55 14.357 6.936 -7.149 407 HB2 LEU 55 2HB LEU 55 14.586 4.826 -5.963 408 HB3 LEU 55 1HB LEU 55 15.191 6.154 -4.990 409 HD11 LEU 55 1HD1 LEU 55 16.181 8.330 -7.735 410 HD12 LEU 55 2HD1 LEU 55 17.356 7.166 -7.123 411 HD13 LEU 55 3HD1 LEU 55 16.308 8.033 -6.001 412 HD21 LEU 55 3HD2 LEU 55 15.497 6.329 -9.221 413 HD22 LEU 55 1HD2 LEU 55 14.777 4.916 -8.450 414 HD23 LEU 55 2HD2 LEU 55 16.515 5.194 -8.334 415 H GLU 56 HN GLU 56 16.681 6.274 -3.598 416 HA GLU 56 HA GLU 56 19.053 7.789 -4.319 417 HB2 GLU 56 2HB GLU 56 18.518 9.095 -2.244 418 HB3 GLU 56 1HB GLU 56 17.240 9.096 -3.453 419 HG2 GLU 56 2HG GLU 56 15.954 7.533 -2.205 420 HG3 GLU 56 1HG GLU 56 17.283 7.245 -1.083 421 H TYR 57 HN TYR 57 20.023 5.445 -4.064 422 HA TYR 57 HA TYR 57 20.758 4.784 -1.346 423 HD1 TYR 57 HD1 TYR 57 20.847 1.787 -0.899 424 HD2 TYR 57 HD2 TYR 57 23.971 3.255 -3.385 425 HE1 TYR 57 HE1 TYR 57 22.460 0.370 0.301 426 HE2 TYR 57 HE2 TYR 57 25.593 1.843 -2.193 427 HH TYR 57 HH TYR 57 24.679 -0.662 -0.128 428 HB2 TYR 57 2HB TYR 57 20.348 2.985 -2.953 429 HB3 TYR 57 1HB TYR 57 21.638 3.591 -3.985 430 HA ALA 1 HA ALA 1 -12.759 -9.571 5.774 431 H1 ALA 1 1H ALA 1 -14.333 -11.387 5.941 432 H2 ALA 1 2H ALA 1 -15.599 -10.360 5.490 433 H3 ALA 1 3H ALA 1 -14.776 -10.099 6.944 434 HB1 ALA 1 3HB ALA 1 -13.129 -11.042 3.856 435 HB2 ALA 1 1HB ALA 1 -12.741 -9.400 3.344 436 HB3 ALA 1 2HB ALA 1 -14.408 -9.973 3.282 437 HA PRO 2 HA PRO 2 -14.505 -5.495 6.031 438 HB2 PRO 2 1HB PRO 2 -12.566 -5.021 7.196 439 HB3 PRO 2 2HB PRO 2 -12.265 -4.048 5.751 440 HG2 PRO 2 2HG PRO 2 -10.863 -5.646 4.814 441 HG3 PRO 2 1HG PRO 2 -10.510 -5.889 6.534 442 HD2 PRO 2 2HD PRO 2 -11.386 -7.877 4.873 443 HD3 PRO 2 1HD PRO 2 -11.685 -7.856 6.622 444 HA PRO 3 HA PRO 3 -15.010 -4.758 1.585 445 HB2 PRO 3 1HB PRO 3 -17.279 -4.738 1.967 446 HB3 PRO 3 2HB PRO 3 -17.054 -2.992 1.813 447 HG2 PRO 3 2HG PRO 3 -17.006 -2.670 4.118 448 HG3 PRO 3 1HG PRO 3 -18.154 -4.018 4.003 449 HD2 PRO 3 2HD PRO 3 -15.932 -4.142 5.533 450 HD3 PRO 3 1HD PRO 3 -16.598 -5.569 4.713 451 H GLY 4 HN GLY 4 -12.923 -3.677 1.501 452 HA2 GLY 4 2HA GLY 4 -12.890 -1.181 0.462 453 HA3 GLY 4 1HA GLY 4 -12.779 -0.871 2.185 454 H THR 5 HN THR 5 -11.293 -2.963 -0.277 455 HA THR 5 HA THR 5 -8.661 -2.076 0.528 456 HB THR 5 HB THR 5 -8.993 -3.909 2.089 457 HG1 THR 5 HG1 THR 5 -8.017 -3.444 0.835 458 1HG2 THR 5 1HG2 THR 5 -9.450 -5.806 2.753 459 2HG2 THR 5 2HG2 THR 5 -9.152 -7.008 1.498 460 3HG2 THR 5 3HG2 THR 5 -9.949 -5.487 1.092 461 H ALA 6 HN ALA 6 -6.940 -3.269 -0.820 462 HA ALA 6 HA ALA 6 -7.662 -4.486 -3.269 463 HB1 ALA 6 3HB ALA 6 -8.352 -2.015 -3.564 464 HB2 ALA 6 1HB ALA 6 -7.414 -2.791 -4.840 465 HB3 ALA 6 2HB ALA 6 -6.621 -1.712 -3.697 466 H ARG 7 HN ARG 7 -5.478 -3.567 -4.840 467 HA ARG 7 HA ARG 7 -3.124 -4.065 -3.171 468 HE ARG 7 HE ARG 7 -1.643 -7.566 -4.935 469 HB2 ARG 7 2HB ARG 7 -3.979 -5.714 -5.542 470 HB3 ARG 7 1HB ARG 7 -2.312 -5.668 -4.985 471 HG2 ARG 7 2HG ARG 7 -2.934 -6.585 -2.860 472 HG3 ARG 7 1HG ARG 7 -4.647 -6.477 -3.271 473 HD2 ARG 7 2HD ARG 7 -3.651 -8.761 -3.501 474 HD3 ARG 7 1HD ARG 7 -4.429 -8.141 -4.955 475 HH11 ARG 7 1HH1 ARG 7 -3.961 -10.102 -5.506 476 HH12 ARG 7 2HH1 ARG 7 -2.938 -10.968 -6.604 477 HH21 ARG 7 2HH2 ARG 7 -0.850 -10.168 -7.100 478 HH22 ARG 7 1HH2 ARG 7 -0.290 -8.695 -6.384 479 H ARG 8 HN ARG 8 -1.378 -2.906 -3.749 480 HA ARG 8 HA ARG 8 -1.664 -0.982 -5.864 481 HE ARG 8 HE ARG 8 -1.452 -0.299 -0.726 482 HB2 ARG 8 2HB ARG 8 0.842 -1.470 -4.276 483 HB3 ARG 8 1HB ARG 8 0.271 0.035 -4.992 484 HG2 ARG 8 2HG ARG 8 -0.527 0.548 -2.983 485 HG3 ARG 8 1HG ARG 8 -1.750 -0.680 -3.267 486 HD2 ARG 8 2HD ARG 8 -0.172 -2.362 -2.297 487 HD3 ARG 8 1HD ARG 8 0.870 -1.018 -1.830 488 HH11 ARG 8 1HH1 ARG 8 0.272 -3.331 -0.683 489 HH12 ARG 8 2HH1 ARG 8 -0.369 -3.816 0.850 490 HH21 ARG 8 2HH2 ARG 8 -1.830 -2.456 1.969 491 HH22 ARG 8 1HH2 ARG 8 -2.303 -0.937 1.284 492 H LYS 9 HN LYS 9 0.147 -3.963 -5.379 493 HA LYS 9 HA LYS 9 0.661 -4.095 -8.209 494 HB2 LYS 9 2HB LYS 9 2.945 -3.900 -6.239 495 HB3 LYS 9 1HB LYS 9 3.128 -4.421 -7.907 496 HG2 LYS 9 2HG LYS 9 2.137 -2.200 -8.581 497 HG3 LYS 9 1HG LYS 9 2.322 -1.711 -6.895 498 HD2 LYS 9 2HD LYS 9 4.713 -2.092 -7.014 499 HD3 LYS 9 1HD LYS 9 4.560 -2.698 -8.664 500 HE2 LYS 9 2HE LYS 9 3.642 -0.464 -9.310 501 HE3 LYS 9 1HE LYS 9 4.034 0.104 -7.688 502 HZ1 LYS 9 3HZ LYS 9 5.965 -0.933 -9.692 503 HZ2 LYS 9 1HZ LYS 9 6.361 -0.454 -8.118 504 HZ3 LYS 9 2HZ LYS 9 5.780 0.683 -9.227 505 H ARG 10 HN ARG 10 2.441 -6.146 -8.368 506 HA ARG 10 HA ARG 10 0.952 -8.413 -7.870 507 HE ARG 10 HE ARG 10 6.819 -7.340 -7.882 508 HB2 ARG 10 2HB ARG 10 3.111 -9.652 -8.177 509 HB3 ARG 10 1HB ARG 10 2.763 -8.474 -9.437 510 HG2 ARG 10 2HG ARG 10 4.386 -6.990 -8.669 511 HG3 ARG 10 1HG ARG 10 4.478 -7.765 -7.087 512 HD2 ARG 10 2HD ARG 10 5.431 -9.776 -8.197 513 HD3 ARG 10 1HD ARG 10 5.439 -8.887 -9.719 514 HH11 ARG 10 1HH1 ARG 10 7.135 -10.478 -9.361 515 HH12 ARG 10 2HH1 ARG 10 8.865 -10.492 -9.265 516 HH21 ARG 10 2HH2 ARG 10 9.979 -8.719 -8.348 517 HH22 ARG 10 1HH2 ARG 10 9.098 -7.352 -7.749 518 H LYS 11 HN LYS 11 2.936 -6.617 -5.689 519 HA LYS 11 HA LYS 11 3.106 -6.761 -3.410 520 HB2 LYS 11 2HB LYS 11 1.834 -9.494 -3.487 521 HB3 LYS 11 1HB LYS 11 1.932 -8.383 -2.132 522 HG2 LYS 11 2HG LYS 11 0.208 -8.161 -4.580 523 HG3 LYS 11 1HG LYS 11 -0.297 -8.326 -2.898 524 HD2 LYS 11 2HD LYS 11 1.180 -5.954 -4.034 525 HD3 LYS 11 1HD LYS 11 -0.563 -6.026 -3.768 526 HE2 LYS 11 2HE LYS 11 1.542 -6.331 -1.631 527 HE3 LYS 11 1HE LYS 11 0.631 -4.858 -1.957 528 HZ1 LYS 11 3HZ LYS 11 -0.548 -7.453 -1.120 529 HZ2 LYS 11 1HZ LYS 11 -1.402 -6.019 -1.398 530 HZ3 LYS 11 2HZ LYS 11 -0.307 -6.116 -0.112 531 H ALA 12 HN ALA 12 5.322 -6.833 -3.652 532 HA ALA 12 HA ALA 12 6.850 -9.062 -4.367 533 HB1 ALA 12 3HB ALA 12 7.628 -6.696 -4.314 534 HB2 ALA 12 1HB ALA 12 8.744 -7.844 -3.575 535 HB3 ALA 12 2HB ALA 12 7.729 -6.824 -2.558 536 H ASP 13 HN ASP 13 5.149 -8.484 -1.462 537 HA ASP 13 HA ASP 13 6.829 -10.439 -0.042 538 HB2 ASP 13 2HB ASP 13 5.931 -9.563 2.033 539 HB3 ASP 13 1HB ASP 13 6.576 -8.239 1.069 540 H SER 14 HN SER 14 3.667 -9.837 -1.311 541 HA SER 14 HA SER 14 1.726 -11.045 -1.308 542 HG SER 14 HG SER 14 1.575 -13.902 -2.623 543 HB2 SER 14 2HB SER 14 3.129 -12.508 -2.673 544 HB3 SER 14 1HB SER 14 3.736 -13.309 -1.224 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 8.219 3.263 -7.136 2 H2 GLY 1 2H GLY 1 8.624 2.402 -5.737 3 H3 GLY 1 3H GLY 1 8.422 1.585 -7.204 4 HA2 GLY 1 1HA GLY 1 10.777 1.854 -6.601 5 HA3 GLY 1 2HA GLY 1 10.356 2.588 -8.140 6 H SER 2 HN SER 2 9.541 3.928 -4.985 7 HA SER 2 HA SER 2 11.681 5.622 -4.556 8 HG SER 2 HG SER 2 11.224 8.680 -5.989 9 HB2 SER 2 2HB SER 2 11.333 6.661 -6.680 10 HB3 SER 2 1HB SER 2 9.602 6.818 -6.388 11 H GLN 3 HN GLN 3 8.202 5.230 -4.482 12 HA GLN 3 HA GLN 3 7.951 6.904 -2.133 13 HB2 GLN 3 2HB GLN 3 5.943 5.308 -3.682 14 HB3 GLN 3 1HB GLN 3 5.542 6.265 -2.269 15 HG2 GLN 3 2HG GLN 3 4.993 7.465 -4.294 16 HG3 GLN 3 1HG GLN 3 6.297 8.280 -3.431 17 HE21 GLN 3 2HE2 GLN 3 7.853 8.507 -6.539 18 HE22 GLN 3 1HE2 GLN 3 7.025 9.330 -5.266 19 H VAL 4 HN VAL 4 7.604 6.175 -0.074 20 HA VAL 4 HA VAL 4 8.259 3.381 0.385 21 HB VAL 4 HB VAL 4 7.712 5.238 2.652 22 HG11 VAL 4 1HG1 VAL 4 9.868 3.183 2.203 23 HG12 VAL 4 2HG1 VAL 4 8.321 2.861 2.978 24 HG13 VAL 4 3HG1 VAL 4 9.461 3.980 3.724 25 HG21 VAL 4 3HG2 VAL 4 10.119 5.416 0.853 26 HG22 VAL 4 1HG2 VAL 4 10.109 6.014 2.513 27 HG23 VAL 4 2HG2 VAL 4 9.013 6.708 1.318 28 H PHE 5 HN PHE 5 5.874 3.471 -0.785 29 HA PHE 5 HA PHE 5 4.213 2.101 0.988 30 1HB PHE 5 2HB PHE 5 2.321 3.913 0.913 31 2HB PHE 5 1HB PHE 5 3.578 4.000 2.140 32 HD1 PHE 5 HD1 PHE 5 3.270 4.409 2.441 33 HD2 PHE 5 HD2 PHE 5 4.438 6.583 -1.026 34 HE1 PHE 5 HE1 PHE 5 5.470 4.840 3.456 35 HE2 PHE 5 HE2 PHE 5 6.639 7.019 -0.016 36 HZ PHE 5 HZ PHE 5 4.560 9.056 -0.491 37 H GLU 6 HN GLU 6 1.824 2.131 0.014 38 HA GLU 6 HA GLU 6 1.696 2.364 -2.842 39 HB2 GLU 6 2HB GLU 6 2.803 0.242 -2.771 40 HB3 GLU 6 1HB GLU 6 1.754 -0.339 -1.483 41 HG2 GLU 6 2HG GLU 6 1.138 -1.369 -3.565 42 HG3 GLU 6 1HG GLU 6 -0.149 -0.282 -3.045 43 H TYR 7 HN TYR 7 -0.359 3.018 -3.285 44 HA TYR 7 HA TYR 7 -2.366 2.727 -1.227 45 HD1 TYR 7 HD1 TYR 7 -0.385 4.782 -4.201 46 HD2 TYR 7 HD2 TYR 7 -4.518 3.916 -4.717 47 HE1 TYR 7 HE1 TYR 7 -0.137 5.072 -6.629 48 HE2 TYR 7 HE2 TYR 7 -4.281 4.202 -7.147 49 HH TYR 7 HH TYR 7 -1.244 4.398 -8.687 50 HB2 TYR 7 2HB TYR 7 -3.652 4.312 -2.543 51 HB3 TYR 7 1HB TYR 7 -2.016 4.907 -2.307 52 H ALA 8 HN ALA 8 -3.354 0.793 -1.183 53 HA ALA 8 HA ALA 8 -4.060 -0.511 -3.701 54 HB1 ALA 8 3HB ALA 8 -4.917 -1.586 -1.064 55 HB2 ALA 8 1HB ALA 8 -3.202 -1.627 -1.472 56 HB3 ALA 8 2HB ALA 8 -4.375 -2.443 -2.506 57 H GLU 9 HN GLU 9 -5.369 1.714 -3.814 58 HA GLU 9 HA GLU 9 -8.055 1.279 -2.737 59 HB2 GLU 9 2HB GLU 9 -7.710 3.286 -1.858 60 HB3 GLU 9 1HB GLU 9 -6.251 3.515 -2.792 61 HG2 GLU 9 2HG GLU 9 -9.021 4.092 -3.774 62 HG3 GLU 9 1HG GLU 9 -7.932 5.278 -3.081 63 H VAL 10 HN VAL 10 -9.829 1.645 -3.913 64 HA VAL 10 HA VAL 10 -9.481 1.258 -6.726 65 HB VAL 10 HB VAL 10 -12.038 1.297 -5.232 66 HG11 VAL 10 1HG1 VAL 10 -11.699 1.384 -7.889 67 HG12 VAL 10 2HG1 VAL 10 -13.072 0.599 -7.115 68 HG13 VAL 10 3HG1 VAL 10 -11.687 -0.361 -7.634 69 HG21 VAL 10 3HG2 VAL 10 -11.876 -1.146 -5.123 70 HG22 VAL 10 1HG2 VAL 10 -10.572 -0.358 -4.234 71 HG23 VAL 10 2HG2 VAL 10 -10.265 -1.051 -5.827 72 H ASP 11 HN ASP 11 -10.682 3.624 -4.506 73 HA ASP 11 HA ASP 11 -10.796 5.553 -6.711 74 HB2 ASP 11 2HB ASP 11 -13.107 4.799 -6.166 75 HB3 ASP 11 1HB ASP 11 -12.871 5.376 -4.522 76 H GLU 12 HN GLU 12 -10.599 5.033 -3.205 77 HA GLU 12 HA GLU 12 -8.853 7.313 -2.940 78 HB2 GLU 12 2HB GLU 12 -11.637 7.408 -1.794 79 HB3 GLU 12 1HB GLU 12 -10.325 8.380 -1.150 80 HG2 GLU 12 2HG GLU 12 -11.305 8.464 -3.993 81 HG3 GLU 12 1HG GLU 12 -11.746 9.610 -2.729 82 H ILE 13 HN ILE 13 -7.935 7.572 -0.826 83 HA ILE 13 HA ILE 13 -8.225 5.197 0.904 84 HB ILE 13 HB ILE 13 -5.818 5.132 1.306 85 HG12 ILE 13 2HG1 ILE 13 -5.514 7.655 1.097 86 HG13 ILE 13 1HG1 ILE 13 -4.259 6.682 0.334 87 HG21 ILE 13 1HG2 ILE 13 -6.048 3.815 -0.515 88 HG22 ILE 13 2HG2 ILE 13 -5.126 5.096 -1.296 89 HG23 ILE 13 3HG2 ILE 13 -6.881 5.069 -1.431 90 HD11 ILE 13 3HD1 ILE 13 -4.599 7.799 -1.541 91 HD12 ILE 13 1HD1 ILE 13 -5.958 8.663 -0.821 92 HD13 ILE 13 2HD1 ILE 13 -6.224 7.114 -1.626 93 H VAL 14 HN VAL 14 -6.485 6.042 2.947 94 HA VAL 14 HA VAL 14 -7.193 8.763 3.665 95 HB VAL 14 HB VAL 14 -8.088 8.131 5.861 96 HG11 VAL 14 1HG1 VAL 14 -9.646 7.086 3.522 97 HG12 VAL 14 2HG1 VAL 14 -9.600 8.756 4.087 98 HG13 VAL 14 3HG1 VAL 14 -10.322 7.504 5.098 99 HG21 VAL 14 3HG2 VAL 14 -9.084 5.692 5.818 100 HG22 VAL 14 1HG2 VAL 14 -7.494 6.057 6.482 101 HG23 VAL 14 2HG2 VAL 14 -7.639 5.421 4.855 102 H GLU 15 HN GLU 15 -5.812 5.748 4.894 103 HA GLU 15 HA GLU 15 -3.685 7.326 6.192 104 HB2 GLU 15 2HB GLU 15 -4.948 5.771 7.653 105 HB3 GLU 15 1HB GLU 15 -4.446 4.429 6.634 106 HG2 GLU 15 2HG GLU 15 -3.101 4.560 8.650 107 HG3 GLU 15 1HG GLU 15 -2.121 4.839 7.211 108 H LYS 16 HN LYS 16 -1.584 7.121 5.486 109 HA LYS 16 HA LYS 16 -0.910 4.875 3.753 110 HB2 LYS 16 2HB LYS 16 -0.052 6.424 1.986 111 HB3 LYS 16 1HB LYS 16 -1.800 6.432 2.175 112 HG2 LYS 16 2HG LYS 16 -1.503 8.478 3.632 113 HG3 LYS 16 1HG LYS 16 0.165 8.523 3.057 114 HD2 LYS 16 2HD LYS 16 -2.333 8.691 1.379 115 HD3 LYS 16 1HD LYS 16 -1.181 9.989 1.700 116 HE2 LYS 16 2HE LYS 16 -0.512 7.414 0.289 117 HE3 LYS 16 1HE LYS 16 -0.904 8.926 -0.530 118 HZ1 LYS 16 3HZ LYS 16 1.370 8.524 1.341 119 HZ2 LYS 16 1HZ LYS 16 1.005 9.956 0.516 120 HZ3 LYS 16 2HZ LYS 16 1.490 8.583 -0.345 121 H ARG 17 HN ARG 17 0.676 4.300 5.377 122 HA ARG 17 HA ARG 17 3.151 5.767 5.093 123 HE ARG 17 HE ARG 17 0.591 7.743 8.108 124 HB2 ARG 17 2HB ARG 17 3.495 6.031 7.529 125 HB3 ARG 17 1HB ARG 17 2.162 6.991 6.908 126 HG2 ARG 17 2HG ARG 17 0.594 5.245 7.727 127 HG3 ARG 17 1HG ARG 17 1.967 4.438 8.483 128 HD2 ARG 17 2HD ARG 17 0.860 5.788 10.129 129 HD3 ARG 17 1HD ARG 17 2.429 6.500 9.763 130 HH11 ARG 17 1HH1 ARG 17 1.155 7.400 11.527 131 HH12 ARG 17 2HH1 ARG 17 0.455 8.932 11.930 132 HH21 ARG 17 2HH2 ARG 17 -0.391 10.278 10.282 133 HH22 ARG 17 1HH2 ARG 17 -0.335 9.768 8.628 134 H GLY 18 HN GLY 18 4.038 3.846 4.176 135 HA2 GLY 18 2HA GLY 18 4.709 1.871 6.210 136 HA3 GLY 18 1HA GLY 18 3.757 1.286 4.872 137 H LYS 19 HN LYS 19 5.029 0.006 3.825 138 HA LYS 19 HA LYS 19 7.719 0.882 3.073 139 HB2 LYS 19 2HB LYS 19 6.463 -1.801 3.532 140 HB3 LYS 19 1HB LYS 19 8.042 -1.628 2.769 141 HG2 LYS 19 2HG LYS 19 8.925 -0.568 4.749 142 HG3 LYS 19 1HG LYS 19 7.333 -0.633 5.516 143 HD2 LYS 19 2HD LYS 19 7.361 -3.042 5.424 144 HD3 LYS 19 1HD LYS 19 8.911 -3.016 4.587 145 HE2 LYS 19 2HE LYS 19 8.390 -1.986 7.376 146 HE3 LYS 19 1HE LYS 19 9.176 -3.513 6.978 147 HZ1 LYS 19 3HZ LYS 19 10.943 -2.275 5.886 148 HZ2 LYS 19 1HZ LYS 19 10.791 -1.798 7.502 149 HZ3 LYS 19 2HZ LYS 19 10.187 -0.812 6.267 150 H GLY 20 HN GLY 20 6.936 -1.809 1.276 151 HA2 GLY 20 2HA GLY 20 6.245 -0.179 -1.029 152 HA3 GLY 20 1HA GLY 20 6.826 -1.846 -1.051 153 H LYS 21 HN LYS 21 5.336 -2.925 0.848 154 HA LYS 21 HA LYS 21 2.534 -2.608 0.046 155 HB2 LYS 21 2HB LYS 21 4.068 -5.200 0.279 156 HB3 LYS 21 1HB LYS 21 2.327 -5.088 0.059 157 HG2 LYS 21 2HG LYS 21 4.435 -4.120 -1.861 158 HG3 LYS 21 1HG LYS 21 3.439 -5.566 -2.041 159 HD2 LYS 21 2HD LYS 21 1.435 -4.205 -2.173 160 HD3 LYS 21 1HD LYS 21 2.384 -2.743 -1.897 161 HE2 LYS 21 2HE LYS 21 2.660 -4.604 -4.255 162 HE3 LYS 21 1HE LYS 21 1.840 -3.044 -4.269 163 HZ1 LYS 21 3HZ LYS 21 3.965 -2.003 -3.666 164 HZ2 LYS 21 1HZ LYS 21 4.051 -2.816 -5.148 165 HZ3 LYS 21 2HZ LYS 21 4.729 -3.509 -3.763 166 H ASP 22 HN ASP 22 4.674 -2.483 2.569 167 HA ASP 22 HA ASP 22 3.060 -3.809 4.527 168 HB2 ASP 22 2HB ASP 22 5.630 -3.725 4.530 169 HB3 ASP 22 1HB ASP 22 5.432 -2.087 5.129 170 H VAL 23 HN VAL 23 2.574 -1.166 2.990 171 HA VAL 23 HA VAL 23 1.995 0.656 5.150 172 HB VAL 23 HB VAL 23 3.033 1.455 3.088 173 HG11 VAL 23 1HG1 VAL 23 2.407 0.679 1.101 174 HG12 VAL 23 2HG1 VAL 23 0.758 1.257 1.345 175 HG13 VAL 23 3HG1 VAL 23 1.221 -0.340 1.911 176 HG21 VAL 23 3HG2 VAL 23 1.634 3.346 2.727 177 HG22 VAL 23 1HG2 VAL 23 1.426 2.867 4.407 178 HG23 VAL 23 2HG2 VAL 23 0.192 2.455 3.219 179 H GLU 24 HN GLU 24 -0.073 1.280 5.694 180 HA GLU 24 HA GLU 24 -2.176 -0.478 4.655 181 HB2 GLU 24 2HB GLU 24 -3.448 0.134 6.682 182 HB3 GLU 24 1HB GLU 24 -1.939 -0.696 7.028 183 HG2 GLU 24 2HG GLU 24 -0.894 1.500 7.502 184 HG3 GLU 24 1HG GLU 24 -2.470 2.256 7.274 185 H TYR 25 HN TYR 25 -3.544 0.387 3.289 186 HA TYR 25 HA TYR 25 -4.022 3.252 3.358 187 HD1 TYR 25 HD1 TYR 25 -3.945 4.772 0.306 188 HD2 TYR 25 HD2 TYR 25 -1.346 1.751 1.757 189 HE1 TYR 25 HE1 TYR 25 -1.999 6.159 -0.262 190 HE2 TYR 25 HE2 TYR 25 0.601 3.126 1.199 191 HH TYR 25 HH TYR 25 0.351 6.410 0.408 192 HB2 TYR 25 2HB TYR 25 -3.773 1.299 1.128 193 HB3 TYR 25 1HB TYR 25 -4.833 2.687 0.914 194 H LEU 26 HN LEU 26 -6.191 3.549 1.990 195 HA LEU 26 HA LEU 26 -8.252 1.791 3.090 196 HG LEU 26 HG LEU 26 -10.526 3.119 3.006 197 HB2 LEU 26 2HB LEU 26 -8.406 3.730 4.431 198 HB3 LEU 26 1HB LEU 26 -8.113 4.799 3.070 199 HD11 LEU 26 1HD1 LEU 26 -10.761 5.671 4.454 200 HD12 LEU 26 2HD1 LEU 26 -10.241 4.233 5.326 201 HD13 LEU 26 3HD1 LEU 26 -11.797 4.251 4.499 202 HD21 LEU 26 3HD2 LEU 26 -11.460 5.252 2.036 203 HD22 LEU 26 1HD2 LEU 26 -10.234 4.408 1.092 204 HD23 LEU 26 2HD2 LEU 26 -9.799 5.832 2.034 205 H VAL 27 HN VAL 27 -10.238 1.758 1.749 206 HA VAL 27 HA VAL 27 -9.807 2.918 -0.881 207 HB VAL 27 HB VAL 27 -9.731 1.113 -2.089 208 HG11 VAL 27 1HG1 VAL 27 -8.508 -0.768 -0.979 209 HG12 VAL 27 2HG1 VAL 27 -8.762 0.072 0.549 210 HG13 VAL 27 3HG1 VAL 27 -7.823 0.836 -0.733 211 HG21 VAL 27 3HG2 VAL 27 -11.515 -0.267 -0.115 212 HG22 VAL 27 1HG2 VAL 27 -10.677 -1.173 -1.373 213 HG23 VAL 27 2HG2 VAL 27 -11.818 0.098 -1.811 214 H ARG 28 HN ARG 28 -11.431 4.115 -1.303 215 HA ARG 28 HA ARG 28 -14.103 3.469 -0.371 216 HE ARG 28 HE ARG 28 -17.286 7.145 -0.600 217 HB2 ARG 28 2HB ARG 28 -13.038 5.874 -0.460 218 HB3 ARG 28 1HB ARG 28 -13.399 5.764 -2.177 219 HG2 ARG 28 2HG ARG 28 -15.766 5.403 -1.649 220 HG3 ARG 28 1HG ARG 28 -15.393 5.572 0.067 221 HD2 ARG 28 2HD ARG 28 -14.607 7.849 -0.319 222 HD3 ARG 28 1HD ARG 28 -14.936 7.679 -2.043 223 HH11 ARG 28 1HH1 ARG 28 -15.173 9.791 -1.408 224 HH12 ARG 28 2HH1 ARG 28 -16.425 10.986 -1.323 225 HH21 ARG 28 2HH2 ARG 28 -18.567 10.372 -0.796 226 HH22 ARG 28 1HH2 ARG 28 -18.942 8.710 -0.484 227 H TRP 29 HN TRP 29 -13.704 1.519 -1.579 228 HA TRP 29 HA TRP 29 -13.226 0.866 -4.027 229 HD1 TRP 29 HD1 TRP 29 -13.613 -0.558 -5.675 230 HE1 TRP 29 HE1 TRP 29 -14.644 -2.481 -7.044 231 HE3 TRP 29 HE3 TRP 29 -17.248 -2.054 -2.392 232 HZ2 TRP 29 HZ2 TRP 29 -16.713 -4.378 -6.771 233 HZ3 TRP 29 HZ3 TRP 29 -18.704 -3.931 -3.025 234 HH2 TRP 29 HH2 TRP 29 -18.444 -5.066 -5.170 235 HB2 TRP 29 2HB TRP 29 -14.219 -0.615 -2.377 236 HB3 TRP 29 1HB TRP 29 -15.778 0.150 -2.648 237 H LYS 30 HN LYS 30 -13.346 2.577 -5.416 238 HA LYS 30 HA LYS 30 -15.104 4.289 -6.312 239 HB2 LYS 30 2HB LYS 30 -13.019 3.478 -7.533 240 HB3 LYS 30 1HB LYS 30 -14.056 2.296 -8.315 241 HG2 LYS 30 2HG LYS 30 -15.395 4.070 -9.288 242 HG3 LYS 30 1HG LYS 30 -14.412 5.282 -8.463 243 HD2 LYS 30 2HD LYS 30 -12.448 4.564 -9.707 244 HD3 LYS 30 1HD LYS 30 -13.391 3.298 -10.495 245 HE2 LYS 30 2HE LYS 30 -13.101 5.242 -11.952 246 HE3 LYS 30 1HE LYS 30 -14.797 4.978 -11.552 247 HZ1 LYS 30 3HZ LYS 30 -14.217 7.312 -11.410 248 HZ2 LYS 30 1HZ LYS 30 -13.005 6.976 -10.278 249 HZ3 LYS 30 2HZ LYS 30 -14.630 6.720 -9.880 250 H ASP 31 HN ASP 31 -15.634 0.826 -6.749 251 HA ASP 31 HA ASP 31 -18.397 1.430 -7.583 252 HB2 ASP 31 2HB ASP 31 -18.398 -0.722 -8.793 253 HB3 ASP 31 1HB ASP 31 -17.161 0.369 -9.409 254 H GLY 32 HN GLY 32 -18.211 1.525 -5.032 255 HA2 GLY 32 2HA GLY 32 -19.237 -1.057 -4.072 256 HA3 GLY 32 1HA GLY 32 -17.942 -0.266 -3.180 257 H GLY 33 HN GLY 33 -19.119 -0.010 -1.319 258 HA2 GLY 33 2HA GLY 33 -21.006 2.223 -1.380 259 HA3 GLY 33 1HA GLY 33 -21.577 0.707 -0.696 260 H ASP 34 HN ASP 34 -19.335 -0.158 0.660 261 HA ASP 34 HA ASP 34 -19.206 1.817 2.820 262 HB2 ASP 34 2HB ASP 34 -18.471 -1.120 2.845 263 HB3 ASP 34 1HB ASP 34 -18.522 -0.051 4.245 264 H CYS 35 HN CYS 35 -17.063 1.679 4.110 265 HA CYS 35 HA CYS 35 -14.826 1.710 2.191 266 HG CYS 35 HG CYS 35 -14.817 5.352 2.049 267 HB2 CYS 35 2HB CYS 35 -15.216 3.485 4.609 268 HB3 CYS 35 1HB CYS 35 -13.828 3.516 3.528 269 H GLU 36 HN GLU 36 -12.943 0.730 2.753 270 HA GLU 36 HA GLU 36 -12.672 -0.343 5.468 271 HB2 GLU 36 2HB GLU 36 -12.352 -1.972 2.942 272 HB3 GLU 36 1HB GLU 36 -11.955 -2.529 4.559 273 HG2 GLU 36 2HG GLU 36 -14.705 -1.660 3.714 274 HG3 GLU 36 1HG GLU 36 -14.141 -3.331 3.678 275 H TRP 37 HN TRP 37 -10.370 -1.545 5.511 276 HA TRP 37 HA TRP 37 -8.465 0.380 4.369 277 HD1 TRP 37 HD1 TRP 37 -9.029 2.234 5.496 278 HE1 TRP 37 HE1 TRP 37 -9.983 3.676 7.404 279 HE3 TRP 37 HE3 TRP 37 -8.347 -1.012 9.386 280 HZ2 TRP 37 HZ2 TRP 37 -10.389 3.466 10.192 281 HZ3 TRP 37 HZ3 TRP 37 -9.041 -0.314 11.641 282 HH2 TRP 37 HH2 TRP 37 -10.041 1.878 12.034 283 HB2 TRP 37 2HB TRP 37 -8.272 -1.265 6.894 284 HB3 TRP 37 1HB TRP 37 -7.016 -0.197 6.284 285 H VAL 38 HN VAL 38 -6.408 -0.380 3.682 286 HA VAL 38 HA VAL 38 -6.484 -3.060 2.552 287 HB VAL 38 HB VAL 38 -4.238 -1.067 2.293 288 HG11 VAL 38 1HG1 VAL 38 -3.612 -2.271 0.365 289 HG12 VAL 38 2HG1 VAL 38 -5.113 -3.196 0.367 290 HG13 VAL 38 3HG1 VAL 38 -3.908 -3.466 1.624 291 HG21 VAL 38 3HG2 VAL 38 -6.441 -1.308 0.287 292 HG22 VAL 38 1HG2 VAL 38 -5.248 -0.027 0.478 293 HG23 VAL 38 2HG2 VAL 38 -6.566 -0.187 1.640 294 H LYS 39 HN LYS 39 -4.816 -4.616 2.898 295 HA LYS 39 HA LYS 39 -3.942 -4.753 5.589 296 HB2 LYS 39 2HB LYS 39 -4.497 -6.778 4.351 297 HB3 LYS 39 1HB LYS 39 -3.195 -6.459 3.213 298 HG2 LYS 39 2HG LYS 39 -1.541 -6.815 4.914 299 HG3 LYS 39 1HG LYS 39 -2.789 -6.960 6.153 300 HD2 LYS 39 2HD LYS 39 -3.642 -8.974 5.078 301 HD3 LYS 39 1HD LYS 39 -2.436 -8.817 3.799 302 HE2 LYS 39 2HE LYS 39 -1.823 -9.192 6.728 303 HE3 LYS 39 1HE LYS 39 -1.806 -10.475 5.518 304 HZ1 LYS 39 3HZ LYS 39 0.413 -9.599 5.964 305 HZ2 LYS 39 1HZ LYS 39 -0.080 -8.057 5.471 306 HZ3 LYS 39 2HZ LYS 39 -0.041 -9.330 4.358 307 H GLY 40 HN GLY 40 -2.646 -3.025 6.039 308 HA2 GLY 40 2HA GLY 40 -0.227 -2.640 4.481 309 HA3 GLY 40 1HA GLY 40 -0.781 -1.624 5.798 310 H VAL 41 HN VAL 41 -0.261 -5.118 5.749 311 HA VAL 41 HA VAL 41 1.861 -4.752 7.770 312 HB VAL 41 HB VAL 41 0.523 -7.385 7.529 313 HG11 VAL 41 1HG1 VAL 41 2.372 -7.060 9.064 314 HG12 VAL 41 2HG1 VAL 41 0.890 -7.417 9.950 315 HG13 VAL 41 3HG1 VAL 41 1.494 -5.762 9.875 316 HG21 VAL 41 3HG2 VAL 41 -1.403 -5.875 7.501 317 HG22 VAL 41 1HG2 VAL 41 -0.797 -5.067 8.947 318 HG23 VAL 41 2HG2 VAL 41 -1.310 -6.752 9.028 319 H HIS 42 HN HIS 42 1.651 -5.143 4.649 320 HA HIS 42 HA HIS 42 3.125 -7.577 4.312 321 HD1 HIS 42 HD1 HIS 42 3.998 -8.493 1.352 322 HD2 HIS 42 HD2 HIS 42 -0.008 -8.232 2.427 323 HE1 HIS 42 HE1 HIS 42 2.972 -10.684 0.663 324 HE2 HIS 42 HE2 HIS 42 0.567 -10.534 1.399 325 HB2 HIS 42 2HB HIS 42 1.507 -5.962 2.646 326 HB3 HIS 42 1HB HIS 42 3.114 -6.042 1.917 327 H VAL 43 HN VAL 43 4.773 -7.132 5.616 328 HA VAL 43 HA VAL 43 6.636 -5.087 5.381 329 HB VAL 43 HB VAL 43 7.181 -7.934 6.205 330 HG11 VAL 43 1HG1 VAL 43 8.679 -5.374 6.742 331 HG12 VAL 43 2HG1 VAL 43 9.243 -6.764 5.816 332 HG13 VAL 43 3HG1 VAL 43 8.995 -6.905 7.555 333 HG21 VAL 43 3HG2 VAL 43 6.308 -5.560 7.850 334 HG22 VAL 43 1HG2 VAL 43 6.775 -7.136 8.492 335 HG23 VAL 43 2HG2 VAL 43 5.340 -6.986 7.478 336 H ALA 44 HN ALA 44 6.564 -4.931 3.004 337 HA ALA 44 HA ALA 44 8.367 -6.762 1.647 338 HB1 ALA 44 3HB ALA 44 6.259 -5.984 0.546 339 HB2 ALA 44 1HB ALA 44 7.720 -5.662 -0.386 340 HB3 ALA 44 2HB ALA 44 6.941 -4.358 0.509 341 H GLU 45 HN GLU 45 9.710 -5.638 3.574 342 HA GLU 45 HA GLU 45 10.838 -3.164 3.425 343 HB2 GLU 45 2HB GLU 45 12.789 -4.056 4.538 344 HB3 GLU 45 1HB GLU 45 11.357 -4.865 5.159 345 HG2 GLU 45 2HG GLU 45 13.211 -5.996 3.075 346 HG3 GLU 45 1HG GLU 45 13.249 -6.391 4.792 347 H ASP 46 HN ASP 46 11.328 -5.848 1.310 348 HA ASP 46 HA ASP 46 13.661 -4.856 -0.010 349 HB2 ASP 46 2HB ASP 46 11.550 -6.794 -0.982 350 HB3 ASP 46 1HB ASP 46 13.107 -6.515 -1.753 351 H VAL 47 HN VAL 47 10.190 -4.762 -0.777 352 HA VAL 47 HA VAL 47 10.432 -3.367 -3.199 353 HB VAL 47 HB VAL 47 8.142 -3.269 -1.225 354 HG11 VAL 47 1HG1 VAL 47 8.063 -1.442 -2.845 355 HG12 VAL 47 2HG1 VAL 47 6.781 -2.616 -3.146 356 HG13 VAL 47 3HG1 VAL 47 8.221 -2.601 -4.166 357 HG21 VAL 47 3HG2 VAL 47 7.161 -5.057 -2.488 358 HG22 VAL 47 1HG2 VAL 47 8.786 -5.544 -2.008 359 HG23 VAL 47 2HG2 VAL 47 8.478 -5.012 -3.661 360 H ALA 48 HN ALA 48 10.088 -2.260 0.073 361 HA ALA 48 HA ALA 48 9.950 0.520 -0.320 362 HB1 ALA 48 3HB ALA 48 9.122 -0.423 1.711 363 HB2 ALA 48 1HB ALA 48 10.483 0.628 2.101 364 HB3 ALA 48 2HB ALA 48 10.697 -1.123 2.085 365 H LYS 49 HN LYS 49 12.591 -1.531 0.944 366 HA LYS 49 HA LYS 49 14.547 0.477 0.923 367 HB2 LYS 49 2HB LYS 49 14.855 -1.626 2.135 368 HB3 LYS 49 1HB LYS 49 14.878 -2.516 0.620 369 HG2 LYS 49 2HG LYS 49 16.930 -1.392 -0.033 370 HG3 LYS 49 1HG LYS 49 16.899 -0.447 1.455 371 HD2 LYS 49 2HD LYS 49 17.068 -3.456 1.321 372 HD3 LYS 49 1HD LYS 49 18.443 -2.377 1.564 373 HE2 LYS 49 2HE LYS 49 17.383 -1.526 3.616 374 HE3 LYS 49 1HE LYS 49 16.047 -2.651 3.378 375 HZ1 LYS 49 3HZ LYS 49 17.599 -4.487 3.581 376 HZ2 LYS 49 1HZ LYS 49 17.667 -3.503 4.957 377 HZ3 LYS 49 2HZ LYS 49 18.889 -3.412 3.790 378 H ASP 50 HN ASP 50 13.273 -1.587 -1.547 379 HA ASP 50 HA ASP 50 15.295 -0.784 -3.478 380 HB2 ASP 50 2HB ASP 50 14.313 -3.157 -3.276 381 HB3 ASP 50 1HB ASP 50 12.872 -2.486 -4.040 382 H TYR 51 HN TYR 51 12.215 0.194 -2.380 383 HA TYR 51 HA TYR 51 11.326 1.350 -4.799 384 HD1 TYR 51 HD1 TYR 51 10.292 -0.018 -5.243 385 HD2 TYR 51 HD2 TYR 51 7.456 1.562 -2.481 386 HE1 TYR 51 HE1 TYR 51 8.496 -1.235 -6.387 387 HE2 TYR 51 HE2 TYR 51 5.663 0.346 -3.623 388 HH TYR 51 HH TYR 51 5.236 -0.603 -5.896 389 HB2 TYR 51 2HB TYR 51 10.287 1.140 -2.103 390 HB3 TYR 51 1HB TYR 51 9.842 2.617 -2.917 391 H GLU 52 HN GLU 52 11.994 2.766 -1.644 392 HA GLU 52 HA GLU 52 12.558 5.327 -2.851 393 HB2 GLU 52 2HB GLU 52 12.495 6.244 -0.663 394 HB3 GLU 52 1HB GLU 52 11.202 5.057 -0.740 395 HG2 GLU 52 2HG GLU 52 12.540 3.460 0.480 396 HG3 GLU 52 1HG GLU 52 13.912 4.566 0.474 397 H ASP 53 HN ASP 53 14.242 2.898 -0.935 398 HA ASP 53 HA ASP 53 16.748 4.339 -1.102 399 HB2 ASP 53 2HB ASP 53 16.339 3.294 0.985 400 HB3 ASP 53 1HB ASP 53 15.892 1.773 0.226 401 H GLY 54 HN GLY 54 15.087 2.177 -3.084 402 HA2 GLY 54 2HA GLY 54 17.433 0.799 -4.081 403 HA3 GLY 54 1HA GLY 54 15.794 0.647 -4.692 404 H LEU 55 HN LEU 55 15.397 3.499 -5.021 405 HA LEU 55 HA LEU 55 16.683 3.777 -7.596 406 HG LEU 55 HG LEU 55 15.956 6.862 -7.766 407 HB2 LEU 55 2HB LEU 55 14.339 4.334 -7.419 408 HB3 LEU 55 1HB LEU 55 14.669 5.487 -6.139 409 HD11 LEU 55 1HD1 LEU 55 16.547 5.075 -9.325 410 HD12 LEU 55 2HD1 LEU 55 15.730 6.406 -10.145 411 HD13 LEU 55 3HD1 LEU 55 14.853 4.918 -9.788 412 HD21 LEU 55 3HD2 LEU 55 13.639 7.394 -7.266 413 HD22 LEU 55 1HD2 LEU 55 13.094 6.266 -8.507 414 HD23 LEU 55 2HD2 LEU 55 13.993 7.713 -8.964 415 H GLU 56 HN GLU 56 16.249 6.068 -4.896 416 HA GLU 56 HA GLU 56 18.670 7.459 -5.690 417 HB2 GLU 56 2HB GLU 56 18.037 9.078 -3.932 418 HB3 GLU 56 1HB GLU 56 16.744 8.806 -5.093 419 HG2 GLU 56 2HG GLU 56 15.611 7.343 -3.526 420 HG3 GLU 56 1HG GLU 56 16.925 7.541 -2.367 421 H TYR 57 HN TYR 57 19.668 5.209 -5.082 422 HA TYR 57 HA TYR 57 20.224 4.903 -2.257 423 HD1 TYR 57 HD1 TYR 57 20.208 1.953 -1.481 424 HD2 TYR 57 HD2 TYR 57 23.581 3.181 -3.765 425 HE1 TYR 57 HE1 TYR 57 21.683 0.697 0.033 426 HE2 TYR 57 HE2 TYR 57 25.065 1.928 -2.258 427 HH TYR 57 HH TYR 57 23.898 -0.319 0.021 428 HB2 TYR 57 2HB TYR 57 19.926 2.920 -3.683 429 HB3 TYR 57 1HB TYR 57 21.317 3.403 -4.647 430 HA ALA 1 HA ALA 1 -12.583 -9.724 0.384 431 H1 ALA 1 1H ALA 1 -15.154 -10.415 -0.916 432 H2 ALA 1 2H ALA 1 -14.853 -10.478 0.747 433 H3 ALA 1 3H ALA 1 -14.014 -11.505 -0.303 434 HB1 ALA 1 3HB ALA 1 -12.347 -10.621 -1.888 435 HB2 ALA 1 1HB ALA 1 -11.912 -8.914 -1.806 436 HB3 ALA 1 2HB ALA 1 -13.469 -9.395 -2.481 437 HA PRO 2 HA PRO 2 -15.532 -6.283 1.350 438 HB2 PRO 2 1HB PRO 2 -14.953 -5.700 3.499 439 HB3 PRO 2 2HB PRO 2 -13.220 -5.737 3.151 440 HG2 PRO 2 2HG PRO 2 -13.459 -7.725 4.348 441 HG3 PRO 2 1HG PRO 2 -15.093 -8.009 3.717 442 HD2 PRO 2 2HD PRO 2 -12.445 -8.475 2.408 443 HD3 PRO 2 1HD PRO 2 -13.931 -9.445 2.327 444 HA PRO 3 HA PRO 3 -13.499 -3.304 -1.217 445 HB2 PRO 3 1HB PRO 3 -15.557 -2.319 -1.478 446 HB3 PRO 3 2HB PRO 3 -14.829 -1.060 -0.473 447 HG2 PRO 3 2HG PRO 3 -15.833 -1.854 1.469 448 HG3 PRO 3 1HG PRO 3 -17.088 -2.243 0.278 449 HD2 PRO 3 2HD PRO 3 -16.024 -4.112 1.911 450 HD3 PRO 3 1HD PRO 3 -16.550 -4.489 0.256 451 H GLY 4 HN GLY 4 -11.519 -3.689 0.151 452 HA2 GLY 4 2HA GLY 4 -10.754 -1.150 1.409 453 HA3 GLY 4 1HA GLY 4 -10.530 -2.632 2.322 454 H THR 5 HN THR 5 -10.107 -3.041 -1.023 455 HA THR 5 HA THR 5 -7.288 -2.405 -1.033 456 HB THR 5 HB THR 5 -7.162 -4.573 0.011 457 HG1 THR 5 HG1 THR 5 -6.992 -4.981 1.803 458 1HG2 THR 5 1HG2 THR 5 -7.639 -7.130 1.049 459 2HG2 THR 5 2HG2 THR 5 -7.280 -7.523 -0.632 460 3HG2 THR 5 3HG2 THR 5 -8.476 -6.284 -0.253 461 H ALA 6 HN ALA 6 -6.381 -2.304 -3.096 462 HA ALA 6 HA ALA 6 -8.011 -3.158 -5.353 463 HB1 ALA 6 3HB ALA 6 -8.657 -0.798 -4.641 464 HB2 ALA 6 1HB ALA 6 -8.293 -1.074 -6.344 465 HB3 ALA 6 2HB ALA 6 -7.099 -0.315 -5.297 466 H ARG 7 HN ARG 7 -5.298 -0.832 -5.139 467 HA ARG 7 HA ARG 7 -3.997 -1.899 -7.373 468 HE ARG 7 HE ARG 7 -5.551 -0.627 -7.868 469 HB2 ARG 7 2HB ARG 7 -2.830 -0.222 -5.148 470 HB3 ARG 7 1HB ARG 7 -2.063 -0.525 -6.698 471 HG2 ARG 7 2HG ARG 7 -4.692 0.890 -6.308 472 HG3 ARG 7 1HG ARG 7 -3.138 1.674 -6.590 473 HD2 ARG 7 2HD ARG 7 -4.172 1.617 -8.694 474 HD3 ARG 7 1HD ARG 7 -3.013 0.290 -8.725 475 HH11 ARG 7 1HH1 ARG 7 -3.809 0.395 -10.704 476 HH12 ARG 7 2HH1 ARG 7 -4.774 -0.544 -11.794 477 HH21 ARG 7 2HH2 ARG 7 -6.493 -1.829 -10.993 478 HH22 ARG 7 1HH2 ARG 7 -6.830 -1.867 -9.294 479 H ARG 8 HN ARG 8 -1.813 -1.766 -4.639 480 HA ARG 8 HA ARG 8 -0.372 -3.338 -3.847 481 HE ARG 8 HE ARG 8 -2.677 -6.722 -2.246 482 HB2 ARG 8 2HB ARG 8 -3.016 -4.716 -3.951 483 HB3 ARG 8 1HB ARG 8 -1.591 -5.686 -3.596 484 HG2 ARG 8 2HG ARG 8 -1.154 -4.528 -1.616 485 HG3 ARG 8 1HG ARG 8 -2.187 -3.174 -2.076 486 HD2 ARG 8 2HD ARG 8 -3.143 -4.688 -0.323 487 HD3 ARG 8 1HD ARG 8 -4.157 -4.457 -1.746 488 HH11 ARG 8 1HH1 ARG 8 -4.939 -5.672 0.185 489 HH12 ARG 8 2HH1 ARG 8 -5.549 -7.265 0.489 490 HH21 ARG 8 2HH2 ARG 8 -4.715 -9.056 -0.670 491 HH22 ARG 8 1HH2 ARG 8 -3.473 -8.821 -1.855 492 H LYS 9 HN LYS 9 0.665 -5.544 -4.360 493 HA LYS 9 HA LYS 9 0.376 -6.289 -7.167 494 HB2 LYS 9 2HB LYS 9 3.029 -5.460 -5.972 495 HB3 LYS 9 1HB LYS 9 2.780 -6.074 -7.599 496 HG2 LYS 9 2HG LYS 9 1.377 -4.115 -8.100 497 HG3 LYS 9 1HG LYS 9 1.713 -3.490 -6.485 498 HD2 LYS 9 2HD LYS 9 4.104 -3.427 -7.006 499 HD3 LYS 9 1HD LYS 9 3.770 -4.061 -8.618 500 HE2 LYS 9 2HE LYS 9 2.736 -1.451 -7.515 501 HE3 LYS 9 1HE LYS 9 4.097 -1.623 -8.623 502 HZ1 LYS 9 3HZ LYS 9 2.584 -2.598 -10.251 503 HZ2 LYS 9 1HZ LYS 9 2.091 -1.039 -9.812 504 HZ3 LYS 9 2HZ LYS 9 1.282 -2.387 -9.190 505 H ARG 10 HN ARG 10 2.529 -7.969 -7.446 506 HA ARG 10 HA ARG 10 1.753 -10.362 -6.402 507 HE ARG 10 HE ARG 10 7.017 -7.847 -7.668 508 HB2 ARG 10 2HB ARG 10 4.097 -11.127 -6.804 509 HB3 ARG 10 1HB ARG 10 3.401 -10.239 -8.157 510 HG2 ARG 10 2HG ARG 10 4.622 -8.256 -7.546 511 HG3 ARG 10 1HG ARG 10 5.230 -9.040 -6.087 512 HD2 ARG 10 2HD ARG 10 6.474 -10.631 -7.420 513 HD3 ARG 10 1HD ARG 10 5.791 -9.963 -8.903 514 HH11 ARG 10 1HH1 ARG 10 8.010 -10.992 -8.788 515 HH12 ARG 10 2HH1 ARG 10 9.631 -10.495 -9.142 516 HH21 ARG 10 2HH2 ARG 10 10.278 -8.330 -8.769 517 HH22 ARG 10 1HH2 ARG 10 9.149 -7.184 -8.132 518 H LYS 11 HN LYS 11 3.608 -7.873 -4.842 519 HA LYS 11 HA LYS 11 4.144 -7.552 -2.650 520 HB2 LYS 11 2HB LYS 11 3.079 -10.264 -1.928 521 HB3 LYS 11 1HB LYS 11 3.152 -8.809 -0.946 522 HG2 LYS 11 2HG LYS 11 1.460 -7.820 -2.568 523 HG3 LYS 11 1HG LYS 11 1.244 -9.469 -3.161 524 HD2 LYS 11 2HD LYS 11 0.770 -10.156 -0.799 525 HD3 LYS 11 1HD LYS 11 0.771 -8.446 -0.371 526 HE2 LYS 11 2HE LYS 11 -1.500 -9.222 -0.728 527 HE3 LYS 11 1HE LYS 11 -1.049 -8.055 -1.971 528 HZ1 LYS 11 3HZ LYS 11 -2.217 -9.951 -2.910 529 HZ2 LYS 11 1HZ LYS 11 -1.048 -11.009 -2.295 530 HZ3 LYS 11 2HZ LYS 11 -0.629 -9.887 -3.489 531 H ALA 12 HN ALA 12 6.309 -7.587 -2.767 532 HA ALA 12 HA ALA 12 7.913 -9.796 -3.389 533 HB1 ALA 12 3HB ALA 12 8.587 -7.374 -3.451 534 HB2 ALA 12 1HB ALA 12 9.774 -8.470 -2.740 535 HB3 ALA 12 2HB ALA 12 8.773 -7.460 -1.699 536 H ASP 13 HN ASP 13 6.453 -8.802 -0.404 537 HA ASP 13 HA ASP 13 7.925 -10.922 1.018 538 HB2 ASP 13 2HB ASP 13 8.287 -8.697 1.973 539 HB3 ASP 13 1HB ASP 13 6.549 -8.471 2.139 540 H SER 14 HN SER 14 6.404 -12.455 0.081 541 HA SER 14 HA SER 14 3.762 -12.393 1.380 542 HG SER 14 HG SER 14 1.963 -13.570 -0.345 543 HB2 SER 14 2HB SER 14 3.611 -12.388 -1.057 544 HB3 SER 14 1HB SER 14 4.631 -13.824 -1.144 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 9.674 5.835 -7.124 2 H2 GLY 1 2H GLY 1 9.311 5.066 -5.664 3 H3 GLY 1 3H GLY 1 9.680 4.145 -7.034 4 HA2 GLY 1 1HA GLY 1 11.619 4.092 -5.722 5 HA3 GLY 1 2HA GLY 1 11.928 5.205 -7.046 6 H SER 2 HN SER 2 10.146 5.628 -3.962 7 HA SER 2 HA SER 2 12.067 7.087 -2.602 8 HG SER 2 HG SER 2 10.274 10.041 -2.722 9 HB2 SER 2 2HB SER 2 12.137 8.728 -4.300 10 HB3 SER 2 1HB SER 2 10.381 8.779 -4.433 11 H GLN 3 HN GLN 3 8.681 6.514 -3.244 12 HA GLN 3 HA GLN 3 7.833 7.664 -0.734 13 HB2 GLN 3 2HB GLN 3 6.364 7.876 -2.637 14 HB3 GLN 3 1HB GLN 3 6.359 6.139 -2.852 15 HG2 GLN 3 2HG GLN 3 5.213 5.870 -0.712 16 HG3 GLN 3 1HG GLN 3 5.210 7.621 -0.507 17 HE21 GLN 3 2HE2 GLN 3 2.540 8.207 -2.680 18 HE22 GLN 3 1HE2 GLN 3 3.868 8.883 -1.807 19 H VAL 4 HN VAL 4 7.452 6.567 1.117 20 HA VAL 4 HA VAL 4 8.301 3.780 1.189 21 HB VAL 4 HB VAL 4 7.563 5.488 3.554 22 HG11 VAL 4 1HG1 VAL 4 7.760 3.081 3.953 23 HG12 VAL 4 2HG1 VAL 4 9.042 3.979 4.766 24 HG13 VAL 4 3HG1 VAL 4 9.389 3.104 3.275 25 HG21 VAL 4 3HG2 VAL 4 9.950 6.050 3.738 26 HG22 VAL 4 1HG2 VAL 4 9.224 6.701 2.267 27 HG23 VAL 4 2HG2 VAL 4 10.242 5.262 2.186 28 H PHE 5 HN PHE 5 5.950 3.739 -0.070 29 HA PHE 5 HA PHE 5 4.380 1.934 1.204 30 HD1 PHE 5 HD1 PHE 5 4.303 5.283 4.015 31 HD2 PHE 5 HD2 PHE 5 2.786 5.371 0.043 32 HE1 PHE 5 HE1 PHE 5 4.469 7.735 4.012 33 HE2 PHE 5 HE2 PHE 5 2.944 7.828 0.037 34 HZ PHE 5 HZ PHE 5 3.791 9.011 2.020 35 HB2 PHE 5 2HB PHE 5 2.386 3.401 1.910 36 HB3 PHE 5 1HB PHE 5 3.759 3.306 3.001 37 H GLU 6 HN GLU 6 2.212 1.613 0.227 38 HA GLU 6 HA GLU 6 1.759 3.129 -2.241 39 HB2 GLU 6 2HB GLU 6 3.091 1.171 -2.885 40 HB3 GLU 6 1HB GLU 6 1.923 0.110 -2.108 41 HG2 GLU 6 2HG GLU 6 1.598 0.117 -4.499 42 HG3 GLU 6 1HG GLU 6 0.209 0.845 -3.692 43 H TYR 7 HN TYR 7 -0.387 3.193 -2.926 44 HA TYR 7 HA TYR 7 -2.344 2.520 -0.892 45 HD1 TYR 7 HD1 TYR 7 -1.023 5.796 -3.253 46 HD2 TYR 7 HD2 TYR 7 -3.683 2.860 -4.794 47 HE1 TYR 7 HE1 TYR 7 -0.366 6.410 -5.541 48 HE2 TYR 7 HE2 TYR 7 -3.034 3.463 -7.086 49 HH TYR 7 HH TYR 7 -0.350 5.492 -7.760 50 HB2 TYR 7 2HB TYR 7 -3.858 3.813 -2.400 51 HB3 TYR 7 1HB TYR 7 -2.488 4.719 -1.800 52 H ALA 8 HN ALA 8 -3.543 0.796 -0.911 53 HA ALA 8 HA ALA 8 -3.781 -0.724 -3.419 54 HB1 ALA 8 3HB ALA 8 -3.866 -2.673 -2.192 55 HB2 ALA 8 1HB ALA 8 -4.483 -1.866 -0.753 56 HB3 ALA 8 2HB ALA 8 -2.789 -1.691 -1.201 57 H GLU 9 HN GLU 9 -5.398 1.416 -3.376 58 HA GLU 9 HA GLU 9 -8.009 0.459 -2.468 59 HB2 GLU 9 2HB GLU 9 -8.749 2.632 -2.309 60 HB3 GLU 9 1HB GLU 9 -7.089 2.741 -1.762 61 HG2 GLU 9 2HG GLU 9 -8.192 3.530 -4.445 62 HG3 GLU 9 1HG GLU 9 -7.602 4.602 -3.187 63 H VAL 10 HN VAL 10 -9.826 1.458 -3.789 64 HA VAL 10 HA VAL 10 -9.310 0.661 -6.513 65 HB VAL 10 HB VAL 10 -11.925 0.541 -5.125 66 HG11 VAL 10 1HG1 VAL 10 -10.943 -0.725 -7.675 67 HG12 VAL 10 2HG1 VAL 10 -12.084 0.612 -7.551 68 HG13 VAL 10 3HG1 VAL 10 -12.532 -0.986 -6.957 69 HG21 VAL 10 3HG2 VAL 10 -11.486 -1.912 -4.956 70 HG22 VAL 10 1HG2 VAL 10 -10.457 -0.911 -3.931 71 HG23 VAL 10 2HG2 VAL 10 -9.823 -1.583 -5.435 72 H ASP 11 HN ASP 11 -10.202 3.263 -4.588 73 HA ASP 11 HA ASP 11 -10.716 4.871 -6.951 74 HB2 ASP 11 2HB ASP 11 -12.950 4.029 -6.138 75 HB3 ASP 11 1HB ASP 11 -12.665 4.908 -4.641 76 H GLU 12 HN GLU 12 -10.450 4.756 -3.428 77 HA GLU 12 HA GLU 12 -8.686 7.055 -3.454 78 HB2 GLU 12 2HB GLU 12 -11.350 7.149 -2.041 79 HB3 GLU 12 1HB GLU 12 -10.040 8.283 -1.749 80 HG2 GLU 12 2HG GLU 12 -10.151 9.050 -4.041 81 HG3 GLU 12 1HG GLU 12 -11.405 7.862 -4.396 82 H ILE 13 HN ILE 13 -8.059 7.615 -1.080 83 HA ILE 13 HA ILE 13 -8.155 5.271 0.678 84 HB ILE 13 HB ILE 13 -5.719 5.318 1.107 85 HG12 ILE 13 2HG1 ILE 13 -5.479 7.769 0.532 86 HG13 ILE 13 1HG1 ILE 13 -4.232 6.748 -0.169 87 HG21 ILE 13 1HG2 ILE 13 -6.907 4.597 -1.420 88 HG22 ILE 13 2HG2 ILE 13 -5.711 3.747 -0.453 89 HG23 ILE 13 3HG2 ILE 13 -5.202 4.986 -1.600 90 HD11 ILE 13 3HD1 ILE 13 -6.054 6.753 -2.163 91 HD12 ILE 13 1HD1 ILE 13 -4.707 7.885 -2.035 92 HD13 ILE 13 2HD1 ILE 13 -6.308 8.353 -1.465 93 H VAL 14 HN VAL 14 -6.536 6.117 2.704 94 HA VAL 14 HA VAL 14 -7.039 8.917 3.273 95 HB VAL 14 HB VAL 14 -8.293 6.725 4.931 96 HG11 VAL 14 1HG1 VAL 14 -7.212 8.332 6.426 97 HG12 VAL 14 2HG1 VAL 14 -8.969 8.468 6.513 98 HG13 VAL 14 3HG1 VAL 14 -8.035 9.658 5.605 99 HG21 VAL 14 3HG2 VAL 14 -9.543 7.576 2.952 100 HG22 VAL 14 1HG2 VAL 14 -9.522 9.178 3.684 101 HG23 VAL 14 2HG2 VAL 14 -10.363 7.852 4.487 102 H GLU 15 HN GLU 15 -5.938 5.826 4.614 103 HA GLU 15 HA GLU 15 -3.919 7.214 6.200 104 HB2 GLU 15 2HB GLU 15 -4.613 4.273 6.054 105 HB3 GLU 15 1HB GLU 15 -3.474 4.999 7.179 106 HG2 GLU 15 2HG GLU 15 -6.431 5.540 7.052 107 HG3 GLU 15 1HG GLU 15 -5.600 4.553 8.252 108 H LYS 16 HN LYS 16 -1.694 6.911 5.923 109 HA LYS 16 HA LYS 16 -0.778 5.163 3.814 110 HB2 LYS 16 2HB LYS 16 0.461 7.027 2.655 111 HB3 LYS 16 1HB LYS 16 -1.287 7.066 2.469 112 HG2 LYS 16 2HG LYS 16 -1.418 8.778 4.229 113 HG3 LYS 16 1HG LYS 16 0.343 8.765 4.348 114 HD2 LYS 16 2HD LYS 16 -1.228 9.438 1.862 115 HD3 LYS 16 1HD LYS 16 -0.495 10.616 2.953 116 HE2 LYS 16 2HE LYS 16 1.712 9.700 2.475 117 HE3 LYS 16 1HE LYS 16 0.992 8.489 1.414 118 HZ1 LYS 16 3HZ LYS 16 0.220 10.251 -0.033 119 HZ2 LYS 16 1HZ LYS 16 1.895 10.367 0.176 120 HZ3 LYS 16 2HZ LYS 16 0.866 11.427 0.997 121 H ARG 17 HN ARG 17 0.390 4.120 5.502 122 HA ARG 17 HA ARG 17 2.919 5.390 6.113 123 HE ARG 17 HE ARG 17 1.628 9.222 8.164 124 HB2 ARG 17 2HB ARG 17 0.988 4.648 8.312 125 HB3 ARG 17 1HB ARG 17 2.698 4.958 8.575 126 HG2 ARG 17 2HG ARG 17 0.730 6.934 7.438 127 HG3 ARG 17 1HG ARG 17 1.298 6.898 9.110 128 HD2 ARG 17 2HD ARG 17 3.595 7.249 8.323 129 HD3 ARG 17 1HD ARG 17 3.014 7.302 6.662 130 HH11 ARG 17 1HH1 ARG 17 4.825 8.581 6.938 131 HH12 ARG 17 2HH1 ARG 17 5.259 10.253 6.825 132 HH21 ARG 17 2HH2 ARG 17 3.759 11.873 7.440 133 HH22 ARG 17 1HH2 ARG 17 2.188 11.430 8.020 134 H GLY 18 HN GLY 18 3.895 3.663 4.979 135 HA2 GLY 18 2HA GLY 18 4.035 1.213 6.545 136 HA3 GLY 18 1HA GLY 18 3.429 1.064 4.913 137 H LYS 19 HN LYS 19 4.851 0.096 3.778 138 HA LYS 19 HA LYS 19 7.693 0.835 3.949 139 HB2 LYS 19 2HB LYS 19 6.242 -1.741 3.553 140 HB3 LYS 19 1HB LYS 19 7.881 -1.568 2.925 141 HG2 LYS 19 2HG LYS 19 8.718 -1.096 5.148 142 HG3 LYS 19 1HG LYS 19 7.079 -1.146 5.799 143 HD2 LYS 19 2HD LYS 19 6.987 -3.527 4.865 144 HD3 LYS 19 1HD LYS 19 8.739 -3.397 4.712 145 HE2 LYS 19 2HE LYS 19 7.213 -2.939 7.272 146 HE3 LYS 19 1HE LYS 19 7.978 -4.465 6.835 147 HZ1 LYS 19 3HZ LYS 19 9.376 -3.127 8.292 148 HZ2 LYS 19 1HZ LYS 19 9.388 -1.871 7.158 149 HZ3 LYS 19 2HZ LYS 19 10.112 -3.354 6.787 150 H GLY 20 HN GLY 20 5.796 -0.981 1.734 151 HA2 GLY 20 2HA GLY 20 6.016 0.917 -0.428 152 HA3 GLY 20 1HA GLY 20 6.807 -0.647 -0.654 153 H LYS 21 HN LYS 21 5.319 -2.319 0.600 154 HA LYS 21 HA LYS 21 2.602 -2.134 -0.501 155 HB2 LYS 21 2HB LYS 21 4.040 -4.746 -0.127 156 HB3 LYS 21 1HB LYS 21 2.686 -4.374 -1.185 157 HG2 LYS 21 2HG LYS 21 5.512 -3.404 -1.570 158 HG3 LYS 21 1HG LYS 21 4.769 -4.759 -2.420 159 HD2 LYS 21 2HD LYS 21 3.208 -3.320 -3.500 160 HD3 LYS 21 1HD LYS 21 3.676 -1.953 -2.490 161 HE2 LYS 21 2HE LYS 21 5.854 -1.884 -3.515 162 HE3 LYS 21 1HE LYS 21 5.513 -3.351 -4.429 163 HZ1 LYS 21 3HZ LYS 21 5.261 -1.360 -5.784 164 HZ2 LYS 21 1HZ LYS 21 4.078 -0.767 -4.729 165 HZ3 LYS 21 2HZ LYS 21 3.785 -2.171 -5.626 166 H ASP 22 HN ASP 22 4.528 -2.423 2.289 167 HA ASP 22 HA ASP 22 2.714 -3.995 3.829 168 HB2 ASP 22 2HB ASP 22 5.255 -3.984 4.120 169 HB3 ASP 22 1HB ASP 22 5.043 -2.426 4.887 170 H VAL 23 HN VAL 23 2.368 -1.099 2.740 171 HA VAL 23 HA VAL 23 1.718 0.287 5.163 172 HB VAL 23 HB VAL 23 2.651 1.346 3.074 173 HG11 VAL 23 1HG1 VAL 23 1.274 0.407 1.373 174 HG12 VAL 23 2HG1 VAL 23 0.874 2.125 1.463 175 HG13 VAL 23 3HG1 VAL 23 -0.200 0.932 2.179 176 HG21 VAL 23 3HG2 VAL 23 0.307 2.956 3.582 177 HG22 VAL 23 1HG2 VAL 23 1.999 3.266 3.969 178 HG23 VAL 23 2HG2 VAL 23 1.004 2.303 5.063 179 H GLU 24 HN GLU 24 -0.339 1.025 5.701 180 HA GLU 24 HA GLU 24 -2.469 -0.698 4.658 181 HB2 GLU 24 2HB GLU 24 -3.544 0.063 6.966 182 HB3 GLU 24 1HB GLU 24 -2.465 -1.316 6.837 183 HG2 GLU 24 2HG GLU 24 -1.910 0.040 8.766 184 HG3 GLU 24 1HG GLU 24 -0.597 0.057 7.589 185 H TYR 25 HN TYR 25 -3.168 0.687 3.038 186 HA TYR 25 HA TYR 25 -3.860 3.423 3.613 187 HD1 TYR 25 HD1 TYR 25 -3.841 4.948 0.175 188 HD2 TYR 25 HD2 TYR 25 -1.246 2.512 2.462 189 HE1 TYR 25 HE1 TYR 25 -2.015 6.523 -0.268 190 HE2 TYR 25 HE2 TYR 25 0.606 4.072 2.025 191 HH TYR 25 HH TYR 25 0.960 5.940 -0.135 192 HB2 TYR 25 2HB TYR 25 -3.550 1.714 1.212 193 HB3 TYR 25 1HB TYR 25 -4.687 3.046 1.081 194 H LEU 26 HN LEU 26 -6.113 3.776 2.064 195 HA LEU 26 HA LEU 26 -8.133 1.977 3.203 196 HG LEU 26 HG LEU 26 -10.507 3.633 2.619 197 HB2 LEU 26 2HB LEU 26 -8.166 4.100 4.438 198 HB3 LEU 26 1HB LEU 26 -8.310 4.987 2.932 199 HD11 LEU 26 1HD1 LEU 26 -10.001 2.130 4.552 200 HD12 LEU 26 2HD1 LEU 26 -11.600 2.863 4.558 201 HD13 LEU 26 3HD1 LEU 26 -10.334 3.499 5.608 202 HD21 LEU 26 3HD2 LEU 26 -10.603 5.973 2.875 203 HD22 LEU 26 1HD2 LEU 26 -10.147 5.877 4.576 204 HD23 LEU 26 2HD2 LEU 26 -11.729 5.301 4.052 205 H VAL 27 HN VAL 27 -10.157 1.916 1.897 206 HA VAL 27 HA VAL 27 -9.751 2.864 -0.810 207 HB VAL 27 HB VAL 27 -9.645 0.962 -1.883 208 HG11 VAL 27 1HG1 VAL 27 -8.332 -0.715 -0.810 209 HG12 VAL 27 2HG1 VAL 27 -8.925 -0.238 0.780 210 HG13 VAL 27 3HG1 VAL 27 -7.879 0.849 -0.133 211 HG21 VAL 27 3HG2 VAL 27 -11.300 -0.496 0.180 212 HG22 VAL 27 1HG2 VAL 27 -10.780 -1.131 -1.381 213 HG23 VAL 27 2HG2 VAL 27 -11.920 0.211 -1.312 214 H ARG 28 HN ARG 28 -11.369 3.991 -1.382 215 HA ARG 28 HA ARG 28 -14.041 3.383 -0.414 216 HE ARG 28 HE ARG 28 -11.954 8.044 0.906 217 HB2 ARG 28 2HB ARG 28 -13.310 5.492 -2.429 218 HB3 ARG 28 1HB ARG 28 -14.724 5.442 -1.391 219 HG2 ARG 28 2HG ARG 28 -13.230 5.796 0.565 220 HG3 ARG 28 1HG ARG 28 -11.891 6.018 -0.562 221 HD2 ARG 28 2HD ARG 28 -13.091 7.890 -1.602 222 HD3 ARG 28 1HD ARG 28 -14.410 7.673 -0.455 223 HH11 ARG 28 1HH1 ARG 28 -14.385 9.758 -0.906 224 HH12 ARG 28 2HH1 ARG 28 -14.086 11.274 -0.123 225 HH21 ARG 28 2HH2 ARG 28 -12.476 11.433 1.497 226 HH22 ARG 28 1HH2 ARG 28 -11.552 10.038 1.945 227 H TRP 29 HN TRP 29 -13.542 1.313 -1.414 228 HA TRP 29 HA TRP 29 -13.033 0.435 -3.776 229 HD1 TRP 29 HD1 TRP 29 -13.298 -1.313 -5.217 230 HE1 TRP 29 HE1 TRP 29 -14.469 -3.205 -6.518 231 HE3 TRP 29 HE3 TRP 29 -17.302 -2.088 -2.122 232 HZ2 TRP 29 HZ2 TRP 29 -16.776 -4.810 -6.268 233 HZ3 TRP 29 HZ3 TRP 29 -18.942 -3.821 -2.728 234 HH2 TRP 29 HH2 TRP 29 -18.683 -5.152 -4.758 235 HB2 TRP 29 2HB TRP 29 -13.981 -0.976 -2.063 236 HB3 TRP 29 1HB TRP 29 -15.559 -0.233 -2.311 237 H LYS 30 HN LYS 30 -13.176 1.911 -5.351 238 HA LYS 30 HA LYS 30 -14.985 3.520 -6.388 239 HB2 LYS 30 2HB LYS 30 -12.963 2.812 -7.614 240 HB3 LYS 30 1HB LYS 30 -13.789 1.343 -8.104 241 HG2 LYS 30 2HG LYS 30 -15.408 2.629 -9.355 242 HG3 LYS 30 1HG LYS 30 -14.667 4.134 -8.806 243 HD2 LYS 30 2HD LYS 30 -12.563 3.455 -9.923 244 HD3 LYS 30 1HD LYS 30 -13.389 2.023 -10.543 245 HE2 LYS 30 2HE LYS 30 -14.148 4.889 -11.105 246 HE3 LYS 30 1HE LYS 30 -13.305 3.809 -12.214 247 HZ1 LYS 30 3HZ LYS 30 -15.243 2.363 -12.218 248 HZ2 LYS 30 1HZ LYS 30 -15.660 3.924 -12.719 249 HZ3 LYS 30 2HZ LYS 30 -16.051 3.403 -11.157 250 H ASP 31 HN ASP 31 -15.493 0.025 -6.437 251 HA ASP 31 HA ASP 31 -18.184 0.472 -7.550 252 HB2 ASP 31 2HB ASP 31 -16.554 -2.074 -7.407 253 HB3 ASP 31 1HB ASP 31 -18.170 -1.939 -8.094 254 H GLY 32 HN GLY 32 -17.993 1.203 -4.977 255 HA2 GLY 32 2HA GLY 32 -19.624 -0.810 -3.632 256 HA3 GLY 32 1HA GLY 32 -18.131 -0.336 -2.829 257 H GLY 33 HN GLY 33 -19.597 0.317 -1.091 258 HA2 GLY 33 2HA GLY 33 -20.287 3.133 -1.404 259 HA3 GLY 33 1HA GLY 33 -21.598 2.053 -0.956 260 H ASP 34 HN ASP 34 -18.339 1.493 0.161 261 HA ASP 34 HA ASP 34 -18.911 2.726 2.742 262 HB2 ASP 34 2HB ASP 34 -18.220 -0.208 2.459 263 HB3 ASP 34 1HB ASP 34 -18.361 0.670 3.980 264 H CYS 35 HN CYS 35 -16.909 2.138 4.263 265 HA CYS 35 HA CYS 35 -14.514 2.794 2.685 266 HG CYS 35 HG CYS 35 -15.023 5.528 2.972 267 HB2 CYS 35 2HB CYS 35 -15.105 3.342 5.602 268 HB3 CYS 35 1HB CYS 35 -13.634 3.806 4.753 269 H GLU 36 HN GLU 36 -12.814 1.455 2.694 270 HA GLU 36 HA GLU 36 -12.657 -0.634 4.763 271 HB2 GLU 36 2HB GLU 36 -11.974 -1.196 1.905 272 HB3 GLU 36 1HB GLU 36 -12.292 -2.342 3.198 273 HG2 GLU 36 2HG GLU 36 -14.376 -0.535 1.993 274 HG3 GLU 36 1HG GLU 36 -14.098 -2.204 1.500 275 H TRP 37 HN TRP 37 -10.635 -1.044 5.487 276 HA TRP 37 HA TRP 37 -8.496 0.653 4.530 277 HD1 TRP 37 HD1 TRP 37 -8.290 2.364 5.361 278 HE1 TRP 37 HE1 TRP 37 -8.550 4.226 7.124 279 HE3 TRP 37 HE3 TRP 37 -8.677 -0.536 9.552 280 HZ2 TRP 37 HZ2 TRP 37 -8.876 4.433 9.922 281 HZ3 TRP 37 HZ3 TRP 37 -8.962 0.571 11.732 282 HH2 TRP 37 HH2 TRP 37 -9.058 3.004 11.911 283 HB2 TRP 37 2HB TRP 37 -8.953 -0.986 6.977 284 HB3 TRP 37 1HB TRP 37 -7.293 -0.616 6.513 285 H VAL 38 HN VAL 38 -6.515 -0.007 3.852 286 HA VAL 38 HA VAL 38 -6.439 -2.558 2.482 287 HB VAL 38 HB VAL 38 -4.705 -0.108 2.489 288 HG11 VAL 38 1HG1 VAL 38 -3.065 -1.822 2.379 289 HG12 VAL 38 2HG1 VAL 38 -3.304 -1.236 0.733 290 HG13 VAL 38 3HG1 VAL 38 -4.033 -2.756 1.245 291 HG21 VAL 38 3HG2 VAL 38 -5.263 -0.064 0.109 292 HG22 VAL 38 1HG2 VAL 38 -6.687 -0.019 1.143 293 HG23 VAL 38 2HG2 VAL 38 -6.237 -1.516 0.328 294 H LYS 39 HN LYS 39 -4.552 -3.969 2.664 295 HA LYS 39 HA LYS 39 -3.925 -4.407 5.428 296 HB2 LYS 39 2HB LYS 39 -4.501 -6.301 4.017 297 HB3 LYS 39 1HB LYS 39 -3.144 -5.951 2.957 298 HG2 LYS 39 2HG LYS 39 -1.581 -6.490 4.713 299 HG3 LYS 39 1HG LYS 39 -2.904 -6.728 5.855 300 HD2 LYS 39 2HD LYS 39 -3.731 -8.594 4.508 301 HD3 LYS 39 1HD LYS 39 -2.421 -8.345 3.352 302 HE2 LYS 39 2HE LYS 39 -0.780 -8.860 5.062 303 HE3 LYS 39 1HE LYS 39 -2.055 -9.028 6.268 304 HZ1 LYS 39 3HZ LYS 39 -2.935 -10.901 5.010 305 HZ2 LYS 39 1HZ LYS 39 -1.328 -11.177 5.463 306 HZ3 LYS 39 2HZ LYS 39 -1.696 -10.744 3.870 307 H GLY 40 HN GLY 40 -2.388 -3.360 6.394 308 HA2 GLY 40 2HA GLY 40 -0.014 -2.546 4.906 309 HA3 GLY 40 1HA GLY 40 -0.487 -1.948 6.490 310 H VAL 41 HN VAL 41 -0.256 -5.295 5.443 311 HA VAL 41 HA VAL 41 1.943 -5.677 7.364 312 HB VAL 41 HB VAL 41 0.324 -7.984 6.399 313 HG11 VAL 41 1HG1 VAL 41 2.312 -8.361 7.749 314 HG12 VAL 41 2HG1 VAL 41 0.859 -8.871 8.608 315 HG13 VAL 41 3HG1 VAL 41 1.645 -7.349 9.031 316 HG21 VAL 41 3HG2 VAL 41 -0.571 -6.153 8.628 317 HG22 VAL 41 1HG2 VAL 41 -1.301 -7.703 8.208 318 HG23 VAL 41 2HG2 VAL 41 -1.378 -6.355 7.073 319 H HIS 42 HN HIS 42 1.328 -5.396 4.129 320 HA HIS 42 HA HIS 42 2.850 -7.614 3.162 321 HD1 HIS 42 HD1 HIS 42 2.497 -6.810 -0.902 322 HD2 HIS 42 HD2 HIS 42 0.522 -8.648 2.258 323 HE1 HIS 42 HE1 HIS 42 1.515 -8.921 -1.857 324 HE2 HIS 42 HE2 HIS 42 0.260 -9.976 0.053 325 HB2 HIS 42 2HB HIS 42 1.218 -5.576 2.029 326 HB3 HIS 42 1HB HIS 42 2.781 -5.556 1.213 327 H VAL 43 HN VAL 43 4.529 -7.434 4.564 328 HA VAL 43 HA VAL 43 6.324 -5.355 4.814 329 HB VAL 43 HB VAL 43 6.344 -7.191 6.338 330 HG11 VAL 43 1HG1 VAL 43 7.339 -8.879 4.049 331 HG12 VAL 43 2HG1 VAL 43 5.735 -8.963 4.777 332 HG13 VAL 43 3HG1 VAL 43 7.156 -9.407 5.722 333 HG21 VAL 43 3HG2 VAL 43 8.520 -5.908 5.676 334 HG22 VAL 43 1HG2 VAL 43 9.008 -7.468 5.018 335 HG23 VAL 43 2HG2 VAL 43 8.615 -7.318 6.730 336 H ALA 44 HN ALA 44 6.255 -4.713 2.488 337 HA ALA 44 HA ALA 44 8.217 -6.043 0.816 338 HB1 ALA 44 3HB ALA 44 6.050 -5.013 -0.050 339 HB2 ALA 44 1HB ALA 44 7.529 -4.617 -0.924 340 HB3 ALA 44 2HB ALA 44 6.832 -3.454 0.199 341 H GLU 45 HN GLU 45 9.452 -5.370 3.021 342 HA GLU 45 HA GLU 45 10.449 -2.843 3.456 343 HB2 GLU 45 2HB GLU 45 10.885 -4.811 4.903 344 HB3 GLU 45 1HB GLU 45 11.999 -5.430 3.693 345 HG2 GLU 45 2HG GLU 45 13.225 -4.376 5.471 346 HG3 GLU 45 1HG GLU 45 13.403 -3.439 3.989 347 H ASP 46 HN ASP 46 11.164 -5.077 0.927 348 HA ASP 46 HA ASP 46 13.595 -3.877 0.024 349 HB2 ASP 46 2HB ASP 46 12.930 -6.178 -0.586 350 HB3 ASP 46 1HB ASP 46 11.586 -5.530 -1.520 351 H VAL 47 HN VAL 47 10.206 -3.578 -0.988 352 HA VAL 47 HA VAL 47 10.648 -1.755 -3.074 353 HB VAL 47 HB VAL 47 8.202 -1.908 -1.314 354 HG11 VAL 47 1HG1 VAL 47 7.989 -1.312 -4.188 355 HG12 VAL 47 2HG1 VAL 47 8.762 -0.068 -3.208 356 HG13 VAL 47 3HG1 VAL 47 7.132 -0.612 -2.814 357 HG21 VAL 47 3HG2 VAL 47 8.768 -3.438 -3.849 358 HG22 VAL 47 1HG2 VAL 47 7.320 -3.542 -2.850 359 HG23 VAL 47 2HG2 VAL 47 8.865 -4.115 -2.228 360 H ALA 48 HN ALA 48 10.404 -1.380 0.334 361 HA ALA 48 HA ALA 48 10.199 1.472 0.479 362 HB1 ALA 48 3HB ALA 48 10.431 1.154 2.868 363 HB2 ALA 48 1HB ALA 48 10.881 -0.532 2.621 364 HB3 ALA 48 2HB ALA 48 9.254 0.014 2.217 365 H LYS 49 HN LYS 49 12.686 -0.873 1.504 366 HA LYS 49 HA LYS 49 14.708 1.005 1.906 367 HB2 LYS 49 2HB LYS 49 14.874 -1.911 1.126 368 HB3 LYS 49 1HB LYS 49 16.278 -0.944 1.556 369 HG2 LYS 49 2HG LYS 49 15.219 -0.511 3.766 370 HG3 LYS 49 1HG LYS 49 13.946 -1.647 3.322 371 HD2 LYS 49 2HD LYS 49 16.892 -2.252 3.581 372 HD3 LYS 49 1HD LYS 49 15.613 -2.762 4.684 373 HE2 LYS 49 2HE LYS 49 15.779 -4.660 3.445 374 HE3 LYS 49 1HE LYS 49 14.621 -3.787 2.444 375 HZ1 LYS 49 3HZ LYS 49 16.438 -3.057 1.034 376 HZ2 LYS 49 1HZ LYS 49 16.412 -4.745 1.128 377 HZ3 LYS 49 2HZ LYS 49 17.559 -3.867 2.006 378 H ASP 50 HN ASP 50 13.401 -0.437 -0.946 379 HA ASP 50 HA ASP 50 15.534 0.585 -2.638 380 HB2 ASP 50 2HB ASP 50 14.403 -1.713 -2.930 381 HB3 ASP 50 1HB ASP 50 13.035 -0.809 -3.582 382 H TYR 51 HN TYR 51 12.355 1.411 -1.535 383 HA TYR 51 HA TYR 51 11.674 3.105 -3.671 384 HD1 TYR 51 HD1 TYR 51 10.110 3.702 -4.561 385 HD2 TYR 51 HD2 TYR 51 8.211 1.810 -1.258 386 HE1 TYR 51 HE1 TYR 51 8.223 3.073 -6.007 387 HE2 TYR 51 HE2 TYR 51 6.318 1.187 -2.691 388 HH TYR 51 HH TYR 51 6.434 1.428 -6.090 389 HB2 TYR 51 2HB TYR 51 10.506 2.481 -1.105 390 HB3 TYR 51 1HB TYR 51 10.294 4.156 -1.530 391 H GLU 52 HN GLU 52 12.284 3.912 -0.313 392 HA GLU 52 HA GLU 52 13.057 6.582 -1.021 393 HB2 GLU 52 2HB GLU 52 12.990 7.077 1.321 394 HB3 GLU 52 1HB GLU 52 11.582 6.106 0.919 395 HG2 GLU 52 2HG GLU 52 12.749 4.113 1.782 396 HG3 GLU 52 1HG GLU 52 14.098 5.144 2.259 397 H ASP 53 HN ASP 53 14.542 3.854 0.681 398 HA ASP 53 HA ASP 53 17.077 5.148 0.913 399 HB2 ASP 53 2HB ASP 53 16.595 3.579 2.596 400 HB3 ASP 53 1HB ASP 53 16.072 2.365 1.441 401 H GLY 54 HN GLY 54 15.529 3.197 -1.499 402 HA2 GLY 54 2HA GLY 54 17.756 2.140 -2.825 403 HA3 GLY 54 1HA GLY 54 16.224 2.534 -3.591 404 H LEU 55 HN LEU 55 16.208 5.301 -3.104 405 HA LEU 55 HA LEU 55 18.095 6.160 -5.130 406 HG LEU 55 HG LEU 55 14.905 6.222 -5.505 407 HB2 LEU 55 2HB LEU 55 15.784 7.498 -3.736 408 HB3 LEU 55 1HB LEU 55 16.867 8.384 -4.796 409 HD11 LEU 55 1HD1 LEU 55 15.433 8.974 -6.616 410 HD12 LEU 55 2HD1 LEU 55 14.139 8.543 -5.499 411 HD13 LEU 55 3HD1 LEU 55 14.156 7.871 -7.129 412 HD21 LEU 55 3HD2 LEU 55 16.954 5.553 -6.591 413 HD22 LEU 55 1HD2 LEU 55 17.218 7.195 -7.179 414 HD23 LEU 55 2HD2 LEU 55 15.860 6.248 -7.786 415 H GLU 56 HN GLU 56 17.178 7.214 -1.857 416 HA GLU 56 HA GLU 56 19.649 8.714 -1.610 417 HB2 GLU 56 2HB GLU 56 17.236 8.413 0.150 418 HB3 GLU 56 1HB GLU 56 18.673 9.278 0.672 419 HG2 GLU 56 2HG GLU 56 18.422 10.803 -1.236 420 HG3 GLU 56 1HG GLU 56 16.949 9.951 -1.701 421 H TYR 57 HN TYR 57 20.602 6.389 -1.902 422 HA TYR 57 HA TYR 57 20.762 4.919 0.604 423 HD1 TYR 57 HD1 TYR 57 20.562 2.071 0.382 424 HD2 TYR 57 HD2 TYR 57 24.167 3.489 -1.377 425 HE1 TYR 57 HE1 TYR 57 21.792 0.208 1.415 426 HE2 TYR 57 HE2 TYR 57 25.406 1.630 -0.350 427 HH TYR 57 HH TYR 57 23.853 -1.044 1.087 428 HB2 TYR 57 2HB TYR 57 20.556 3.679 -1.518 429 HB3 TYR 57 1HB TYR 57 22.072 4.381 -2.071 430 HA ALA 1 HA ALA 1 -15.953 -13.005 -0.267 431 H1 ALA 1 1H ALA 1 -17.241 -12.985 2.336 432 H2 ALA 1 2H ALA 1 -15.894 -11.980 2.149 433 H3 ALA 1 3H ALA 1 -15.755 -13.641 1.858 434 HB1 ALA 1 3HB ALA 1 -18.756 -13.182 0.784 435 HB2 ALA 1 1HB ALA 1 -17.819 -14.397 -0.082 436 HB3 ALA 1 2HB ALA 1 -18.419 -12.974 -0.934 437 HA PRO 2 HA PRO 2 -18.562 -8.734 -0.113 438 HB2 PRO 2 1HB PRO 2 -19.019 -7.601 1.847 439 HB3 PRO 2 2HB PRO 2 -17.499 -8.091 2.606 440 HG2 PRO 2 2HG PRO 2 -18.969 -9.544 3.671 441 HG3 PRO 2 1HG PRO 2 -20.039 -9.637 2.261 442 HD2 PRO 2 2HD PRO 2 -17.529 -11.121 2.835 443 HD3 PRO 2 1HD PRO 2 -18.949 -11.618 1.895 444 HA PRO 3 HA PRO 3 -14.276 -7.767 -1.420 445 HB2 PRO 3 1HB PRO 3 -14.562 -7.038 -3.579 446 HB3 PRO 3 2HB PRO 3 -15.870 -5.937 -3.138 447 HG2 PRO 3 2HG PRO 3 -17.086 -7.635 -4.169 448 HG3 PRO 3 1HG PRO 3 -15.960 -8.891 -3.623 449 HD2 PRO 3 2HD PRO 3 -18.137 -7.509 -2.111 450 HD3 PRO 3 1HD PRO 3 -17.628 -9.209 -2.054 451 H GLY 4 HN GLY 4 -13.558 -6.649 0.379 452 HA2 GLY 4 2HA GLY 4 -14.629 -3.975 0.892 453 HA3 GLY 4 1HA GLY 4 -13.526 -4.868 1.930 454 H THR 5 HN THR 5 -11.328 -4.696 1.624 455 HA THR 5 HA THR 5 -10.485 -2.426 0.020 456 HB THR 5 HB THR 5 -9.670 -2.614 2.330 457 HG1 THR 5 HG1 THR 5 -7.489 -3.009 0.558 458 HG21 THR 5 3HG2 THR 5 -9.555 -5.052 2.496 459 HG22 THR 5 1HG2 THR 5 -8.001 -4.323 2.900 460 HG23 THR 5 2HG2 THR 5 -8.238 -5.078 1.324 461 H ALA 6 HN ALA 6 -8.359 -2.614 -1.145 462 HA ALA 6 HA ALA 6 -8.197 -5.189 -2.568 463 HB1 ALA 6 3HB ALA 6 -9.202 -3.507 -3.995 464 HB2 ALA 6 1HB ALA 6 -7.593 -3.921 -4.589 465 HB3 ALA 6 2HB ALA 6 -7.845 -2.415 -3.703 466 H ARG 7 HN ARG 7 -6.655 -5.004 -0.409 467 HA ARG 7 HA ARG 7 -4.241 -3.783 -0.330 468 HE ARG 7 HE ARG 7 -6.086 -9.664 1.376 469 HB2 ARG 7 2HB ARG 7 -3.383 -5.741 0.866 470 HB3 ARG 7 1HB ARG 7 -5.020 -5.349 1.377 471 HG2 ARG 7 2HG ARG 7 -5.883 -7.124 -0.090 472 HG3 ARG 7 1HG ARG 7 -4.226 -7.537 -0.535 473 HD2 ARG 7 2HD ARG 7 -3.731 -8.044 1.814 474 HD3 ARG 7 1HD ARG 7 -5.393 -7.645 2.243 475 HH11 ARG 7 1HH1 ARG 7 -2.752 -9.097 0.523 476 HH12 ARG 7 2HH1 ARG 7 -2.490 -10.713 -0.042 477 HH21 ARG 7 2HH2 ARG 7 -4.191 -12.243 0.019 478 HH22 ARG 7 1HH2 ARG 7 -5.745 -11.792 0.633 479 H ARG 8 HN ARG 8 -2.257 -3.862 -1.387 480 HA ARG 8 HA ARG 8 -2.097 -4.819 -3.975 481 HE ARG 8 HE ARG 8 1.522 -4.054 -6.559 482 HB2 ARG 8 2HB ARG 8 -0.503 -3.229 -2.763 483 HB3 ARG 8 1HB ARG 8 0.298 -4.671 -2.149 484 HG2 ARG 8 2HG ARG 8 1.475 -3.886 -4.080 485 HG3 ARG 8 1HG ARG 8 0.671 -5.403 -4.484 486 HD2 ARG 8 2HD ARG 8 -1.125 -4.180 -5.577 487 HD3 ARG 8 1HD ARG 8 -0.376 -2.649 -5.125 488 HH11 ARG 8 1HH1 ARG 8 -1.667 -2.771 -7.106 489 HH12 ARG 8 2HH1 ARG 8 -1.403 -2.481 -8.792 490 HH21 ARG 8 2HH2 ARG 8 0.616 -2.994 -9.746 491 HH22 ARG 8 1HH2 ARG 8 1.883 -3.675 -8.781 492 H LYS 9 HN LYS 9 -1.325 -6.684 -4.923 493 HA LYS 9 HA LYS 9 -0.906 -8.958 -3.089 494 HB2 LYS 9 2HB LYS 9 -3.196 -8.922 -4.192 495 HB3 LYS 9 1HB LYS 9 -2.370 -9.226 -5.716 496 HG2 LYS 9 2HG LYS 9 -3.217 -11.285 -4.794 497 HG3 LYS 9 1HG LYS 9 -1.452 -11.302 -4.790 498 HD2 LYS 9 2HD LYS 9 -1.381 -10.849 -2.446 499 HD3 LYS 9 1HD LYS 9 -3.116 -10.535 -2.397 500 HE2 LYS 9 2HE LYS 9 -2.569 -12.745 -1.493 501 HE3 LYS 9 1HE LYS 9 -3.573 -12.860 -2.938 502 HZ1 LYS 9 3HZ LYS 9 -1.783 -14.474 -2.980 503 HZ2 LYS 9 1HZ LYS 9 -0.629 -13.245 -2.840 504 HZ3 LYS 9 2HZ LYS 9 -1.589 -13.349 -4.229 505 H ARG 10 HN ARG 10 1.224 -7.537 -4.136 506 HA ARG 10 HA ARG 10 2.281 -9.381 -6.177 507 HE ARG 10 HE ARG 10 5.698 -6.220 -6.448 508 HB2 ARG 10 2HB ARG 10 3.840 -7.643 -6.826 509 HB3 ARG 10 1HB ARG 10 2.201 -7.008 -6.877 510 HG2 ARG 10 2HG ARG 10 2.543 -5.865 -4.773 511 HG3 ARG 10 1HG ARG 10 4.157 -6.567 -4.628 512 HD2 ARG 10 2HD ARG 10 3.280 -4.789 -6.899 513 HD3 ARG 10 1HD ARG 10 4.119 -4.211 -5.462 514 HH11 ARG 10 1HH1 ARG 10 4.422 -3.220 -7.677 515 HH12 ARG 10 2HH1 ARG 10 5.746 -2.952 -8.761 516 HH21 ARG 10 2HH2 ARG 10 7.463 -4.461 -8.871 517 HH22 ARG 10 1HH2 ARG 10 7.445 -5.875 -7.870 518 H LYS 11 HN LYS 11 2.742 -7.988 -3.029 519 HA LYS 11 HA LYS 11 4.343 -8.251 -1.417 520 HB2 LYS 11 2HB LYS 11 2.961 -10.424 -1.564 521 HB3 LYS 11 1HB LYS 11 4.407 -11.126 -2.280 522 HG2 LYS 11 2HG LYS 11 4.342 -11.602 0.077 523 HG3 LYS 11 1HG LYS 11 5.674 -10.500 -0.269 524 HD2 LYS 11 2HD LYS 11 4.386 -8.619 0.519 525 HD3 LYS 11 1HD LYS 11 2.964 -9.638 0.729 526 HE2 LYS 11 2HE LYS 11 5.563 -9.918 2.232 527 HE3 LYS 11 1HE LYS 11 4.090 -9.181 2.858 528 HZ1 LYS 11 3HZ LYS 11 4.358 -11.483 3.587 529 HZ2 LYS 11 1HZ LYS 11 4.336 -12.006 1.978 530 HZ3 LYS 11 2HZ LYS 11 2.962 -11.288 2.652 531 H ALA 12 HN ALA 12 5.784 -7.035 -2.964 532 HA ALA 12 HA ALA 12 7.748 -8.127 -4.559 533 HB1 ALA 12 3HB ALA 12 7.253 -5.717 -4.300 534 HB2 ALA 12 1HB ALA 12 8.978 -6.083 -4.195 535 HB3 ALA 12 2HB ALA 12 8.053 -5.764 -2.724 536 H ASP 13 HN ASP 13 7.474 -8.207 -1.122 537 HA ASP 13 HA ASP 13 10.250 -9.128 -0.846 538 HB2 ASP 13 2HB ASP 13 9.745 -7.224 0.546 539 HB3 ASP 13 1HB ASP 13 8.283 -7.998 1.142 540 H SER 14 HN SER 14 7.256 -9.723 0.977 541 HA SER 14 HA SER 14 6.211 -11.636 1.618 542 HG SER 14 HG SER 14 6.190 -14.531 -0.376 543 HB2 SER 14 2HB SER 14 6.418 -12.294 -0.780 544 HB3 SER 14 1HB SER 14 7.962 -13.053 -0.402 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 12.508 9.531 -3.010 2 H2 GLY 1 2H GLY 1 11.289 8.464 -3.493 3 H3 GLY 1 3H GLY 1 12.205 9.280 -4.655 4 HA2 GLY 1 1HA GLY 1 12.868 6.938 -4.407 5 HA3 GLY 1 2HA GLY 1 14.167 8.079 -4.096 6 H SER 2 HN SER 2 11.660 7.772 -1.733 7 HA SER 2 HA SER 2 13.138 5.822 -0.166 8 HG SER 2 HG SER 2 13.046 9.611 1.323 9 HB2 SER 2 2HB SER 2 13.192 7.364 1.820 10 HB3 SER 2 1HB SER 2 14.256 7.855 0.503 11 H GLN 3 HN GLN 3 10.550 8.257 0.114 12 HA GLN 3 HA GLN 3 8.889 6.269 1.479 13 HB2 GLN 3 2HB GLN 3 8.716 9.250 1.306 14 HB3 GLN 3 1HB GLN 3 7.442 8.270 2.006 15 HG2 GLN 3 2HG GLN 3 9.125 7.380 3.615 16 HG3 GLN 3 1HG GLN 3 10.275 8.553 2.976 17 HE21 GLN 3 2HE2 GLN 3 7.862 11.208 4.165 18 HE22 GLN 3 1HE2 GLN 3 8.247 10.612 2.591 19 H VAL 4 HN VAL 4 7.463 5.194 0.279 20 HA VAL 4 HA VAL 4 6.016 6.628 -1.815 21 HB VAL 4 HB VAL 4 7.328 3.955 -2.304 22 HG11 VAL 4 1HG1 VAL 4 5.271 4.135 -3.522 23 HG12 VAL 4 2HG1 VAL 4 6.604 4.376 -4.653 24 HG13 VAL 4 3HG1 VAL 4 5.682 5.760 -4.071 25 HG21 VAL 4 3HG2 VAL 4 8.990 5.730 -2.235 26 HG22 VAL 4 1HG2 VAL 4 8.042 6.684 -3.376 27 HG23 VAL 4 2HG2 VAL 4 8.765 5.159 -3.888 28 H PHE 5 HN PHE 5 6.344 3.437 -0.269 29 HA PHE 5 HA PHE 5 4.770 1.948 0.464 30 HD1 PHE 5 HD1 PHE 5 5.713 3.534 2.769 31 HD2 PHE 5 HD2 PHE 5 2.873 6.170 1.015 32 HE1 PHE 5 HE1 PHE 5 6.845 5.447 3.821 33 HE2 PHE 5 HE2 PHE 5 4.000 8.089 2.062 34 HZ PHE 5 HZ PHE 5 5.991 7.728 3.468 35 HB2 PHE 5 2HB PHE 5 2.599 3.907 0.766 36 HB3 PHE 5 1HB PHE 5 3.308 2.833 1.950 37 H GLU 6 HN GLU 6 2.117 1.575 0.099 38 HA GLU 6 HA GLU 6 1.578 2.040 -2.738 39 HB2 GLU 6 2HB GLU 6 2.739 -0.136 -2.580 40 HB3 GLU 6 1HB GLU 6 1.493 -0.704 -1.476 41 HG2 GLU 6 2HG GLU 6 1.179 -1.510 -3.774 42 HG3 GLU 6 1HG GLU 6 -0.178 -0.543 -3.198 43 H TYR 7 HN TYR 7 -0.460 2.563 -3.112 44 HA TYR 7 HA TYR 7 -2.396 2.335 -0.957 45 HD1 TYR 7 HD1 TYR 7 -0.363 4.602 -3.699 46 HD2 TYR 7 HD2 TYR 7 -4.387 3.555 -4.596 47 HE1 TYR 7 HE1 TYR 7 0.061 5.040 -6.080 48 HE2 TYR 7 HE2 TYR 7 -3.973 3.985 -6.981 49 HH TYR 7 HH TYR 7 -0.866 4.377 -8.268 50 HB2 TYR 7 2HB TYR 7 -3.718 3.905 -2.345 51 HB3 TYR 7 1HB TYR 7 -2.134 4.535 -1.943 52 H ALA 8 HN ALA 8 -3.373 0.354 -0.986 53 HA ALA 8 HA ALA 8 -4.079 -0.872 -3.536 54 HB1 ALA 8 3HB ALA 8 -3.243 -2.061 -1.342 55 HB2 ALA 8 1HB ALA 8 -4.452 -2.831 -2.371 56 HB3 ALA 8 2HB ALA 8 -4.950 -1.990 -0.906 57 H GLU 9 HN GLU 9 -5.326 1.307 -3.674 58 HA GLU 9 HA GLU 9 -8.032 1.075 -2.568 59 HB2 GLU 9 2HB GLU 9 -7.507 3.125 -1.869 60 HB3 GLU 9 1HB GLU 9 -6.123 3.230 -2.938 61 HG2 GLU 9 2HG GLU 9 -8.949 3.747 -3.785 62 HG3 GLU 9 1HG GLU 9 -7.835 4.990 -3.248 63 H VAL 10 HN VAL 10 -9.776 1.415 -3.694 64 HA VAL 10 HA VAL 10 -9.637 0.699 -6.474 65 HB VAL 10 HB VAL 10 -11.992 1.030 -4.676 66 HG11 VAL 10 1HG1 VAL 10 -12.139 1.125 -7.318 67 HG12 VAL 10 2HG1 VAL 10 -13.348 0.264 -6.369 68 HG13 VAL 10 3HG1 VAL 10 -12.042 -0.628 -7.147 69 HG21 VAL 10 3HG2 VAL 10 -10.926 -1.604 -5.577 70 HG22 VAL 10 1HG2 VAL 10 -11.905 -1.214 -4.163 71 HG23 VAL 10 2HG2 VAL 10 -10.201 -0.779 -4.197 72 H ASP 11 HN ASP 11 -10.669 3.309 -4.417 73 HA ASP 11 HA ASP 11 -10.687 5.094 -6.738 74 1HB ASP 11 1HB ASP 11 -12.847 5.089 -4.628 75 2HB ASP 11 2HB ASP 11 -13.030 4.434 -6.248 76 H GLU 12 HN GLU 12 -10.479 4.727 -3.226 77 HA GLU 12 HA GLU 12 -8.790 7.070 -3.081 78 HB2 GLU 12 2HB GLU 12 -11.504 7.018 -1.779 79 HB3 GLU 12 1HB GLU 12 -10.217 8.078 -1.223 80 HG2 GLU 12 2HG GLU 12 -10.133 9.132 -3.423 81 HG3 GLU 12 1HG GLU 12 -11.416 8.061 -3.984 82 H ILE 13 HN ILE 13 -8.072 7.488 -0.776 83 HA ILE 13 HA ILE 13 -8.060 5.034 0.840 84 HB ILE 13 HB ILE 13 -5.629 5.162 1.178 85 HG12 ILE 13 2HG1 ILE 13 -5.479 7.649 0.794 86 HG13 ILE 13 1HG1 ILE 13 -4.241 6.722 -0.048 87 HG21 ILE 13 1HG2 ILE 13 -6.764 4.886 -1.540 88 HG22 ILE 13 2HG2 ILE 13 -5.980 3.679 -0.523 89 HG23 ILE 13 3HG2 ILE 13 -5.021 4.880 -1.381 90 HD11 ILE 13 3HD1 ILE 13 -6.300 8.454 -1.107 91 HD12 ILE 13 1HD1 ILE 13 -6.311 6.862 -1.873 92 HD13 ILE 13 2HD1 ILE 13 -4.837 7.834 -1.873 93 H VAL 14 HN VAL 14 -6.355 5.858 2.873 94 HA VAL 14 HA VAL 14 -7.051 8.558 3.655 95 HB VAL 14 HB VAL 14 -8.003 6.209 5.296 96 HG11 VAL 14 1HG1 VAL 14 -8.956 7.902 6.791 97 HG12 VAL 14 2HG1 VAL 14 -8.208 9.173 5.824 98 HG13 VAL 14 3HG1 VAL 14 -7.198 8.026 6.704 99 HG21 VAL 14 3HG2 VAL 14 -10.251 7.147 4.870 100 HG22 VAL 14 1HG2 VAL 14 -9.450 6.584 3.403 101 HG23 VAL 14 2HG2 VAL 14 -9.526 8.309 3.759 102 H GLU 15 HN GLU 15 -5.934 5.511 5.117 103 HA GLU 15 HA GLU 15 -3.883 7.000 6.560 104 HB2 GLU 15 2HB GLU 15 -5.175 5.395 7.838 105 HB3 GLU 15 1HB GLU 15 -4.716 4.105 6.733 106 HG2 GLU 15 2HG GLU 15 -2.446 4.200 7.451 107 HG3 GLU 15 1HG GLU 15 -2.750 5.658 8.395 108 H LYS 16 HN LYS 16 -2.323 7.514 5.061 109 HA LYS 16 HA LYS 16 -1.079 5.294 3.599 110 HB2 LYS 16 2HB LYS 16 0.016 7.173 2.291 111 HB3 LYS 16 1HB LYS 16 -1.724 7.010 2.098 112 HG2 LYS 16 2HG LYS 16 -2.086 8.843 3.651 113 HG3 LYS 16 1HG LYS 16 -0.345 8.993 3.895 114 HD2 LYS 16 2HD LYS 16 -0.052 9.545 1.537 115 HD3 LYS 16 1HD LYS 16 -1.787 9.365 1.271 116 HE2 LYS 16 2HE LYS 16 -0.484 11.377 3.103 117 HE3 LYS 16 1HE LYS 16 -1.133 11.718 1.500 118 HZ1 LYS 16 3HZ LYS 16 -2.687 12.323 3.258 119 HZ2 LYS 16 1HZ LYS 16 -2.711 10.724 3.812 120 HZ3 LYS 16 2HZ LYS 16 -3.324 11.099 2.281 121 H ARG 17 HN ARG 17 0.295 4.445 5.195 122 HA ARG 17 HA ARG 17 2.675 5.984 5.715 123 HE ARG 17 HE ARG 17 4.483 6.048 10.448 124 HB2 ARG 17 2HB ARG 17 1.193 6.792 7.501 125 HB3 ARG 17 1HB ARG 17 0.937 5.138 8.037 126 HG2 ARG 17 2HG ARG 17 3.359 4.960 8.518 127 HG3 ARG 17 1HG ARG 17 3.533 6.664 8.095 128 HD2 ARG 17 2HD ARG 17 2.029 7.293 9.887 129 HD3 ARG 17 1HD ARG 17 1.738 5.597 10.273 130 HH11 ARG 17 1HH1 ARG 17 1.554 7.044 12.049 131 HH12 ARG 17 2HH1 ARG 17 2.324 7.299 13.579 132 HH21 ARG 17 2HH2 ARG 17 4.570 6.922 13.814 133 HH22 ARG 17 1HH2 ARG 17 5.506 6.379 12.462 134 H GLY 18 HN GLY 18 3.673 4.184 4.579 135 HA2 GLY 18 2HA GLY 18 4.134 1.967 6.399 136 HA3 GLY 18 1HA GLY 18 3.416 1.559 4.870 137 H LYS 19 HN LYS 19 4.920 0.425 3.916 138 HA LYS 19 HA LYS 19 7.670 1.436 3.785 139 HB2 LYS 19 2HB LYS 19 6.448 -1.280 3.520 140 HB3 LYS 19 1HB LYS 19 8.132 -0.973 3.116 141 HG2 LYS 19 2HG LYS 19 8.516 -0.215 5.428 142 HG3 LYS 19 1HG LYS 19 6.837 -0.605 5.810 143 HD2 LYS 19 2HD LYS 19 7.303 -2.949 5.084 144 HD3 LYS 19 1HD LYS 19 9.005 -2.507 4.942 145 HE2 LYS 19 2HE LYS 19 7.332 -2.384 7.450 146 HE3 LYS 19 1HE LYS 19 8.565 -3.589 7.081 147 HZ1 LYS 19 3HZ LYS 19 10.222 -1.823 7.056 148 HZ2 LYS 19 1HZ LYS 19 9.426 -1.886 8.547 149 HZ3 LYS 19 2HZ LYS 19 9.036 -0.678 7.430 150 H GLY 20 HN GLY 20 7.119 -0.954 1.468 151 HA2 GLY 20 2HA GLY 20 6.876 1.039 -0.646 152 HA3 GLY 20 1HA GLY 20 7.467 -0.614 -0.828 153 H LYS 21 HN LYS 21 5.701 -1.959 0.589 154 HA LYS 21 HA LYS 21 3.019 -1.404 -0.414 155 HB2 LYS 21 2HB LYS 21 4.583 -3.926 -0.940 156 HB3 LYS 21 1HB LYS 21 2.828 -3.864 -1.040 157 HG2 LYS 21 2HG LYS 21 3.013 -2.104 -2.754 158 HG3 LYS 21 1HG LYS 21 4.771 -2.254 -2.684 159 HD2 LYS 21 2HD LYS 21 2.882 -4.503 -3.375 160 HD3 LYS 21 1HD LYS 21 3.740 -3.514 -4.559 161 HE2 LYS 21 2HE LYS 21 5.103 -5.110 -2.402 162 HE3 LYS 21 1HE LYS 21 4.822 -5.714 -4.034 163 HZ1 LYS 21 3HZ LYS 21 6.143 -3.888 -4.899 164 HZ2 LYS 21 1HZ LYS 21 7.045 -4.797 -3.792 165 HZ3 LYS 21 2HZ LYS 21 6.406 -3.300 -3.336 166 H ASP 22 HN ASP 22 4.799 -1.874 2.231 167 HA ASP 22 HA ASP 22 3.154 -3.788 3.583 168 HB2 ASP 22 2HB ASP 22 5.687 -3.570 3.897 169 HB3 ASP 22 1HB ASP 22 5.322 -2.115 4.809 170 H VAL 23 HN VAL 23 2.498 -0.904 2.701 171 HA VAL 23 HA VAL 23 1.791 0.347 5.173 172 HB VAL 23 HB VAL 23 2.647 1.502 3.127 173 HG11 VAL 23 1HG1 VAL 23 1.331 0.401 1.434 174 HG12 VAL 23 2HG1 VAL 23 0.942 2.115 1.433 175 HG13 VAL 23 3HG1 VAL 23 -0.166 0.967 2.168 176 HG21 VAL 23 3HG2 VAL 23 0.074 2.779 3.789 177 HG22 VAL 23 1HG2 VAL 23 1.710 3.427 3.842 178 HG23 VAL 23 2HG2 VAL 23 1.132 2.375 5.135 179 H GLU 24 HN GLU 24 -0.330 1.058 5.637 180 HA GLU 24 HA GLU 24 -2.398 -0.761 4.604 181 HB2 GLU 24 2HB GLU 24 -3.558 -0.350 6.816 182 HB3 GLU 24 1HB GLU 24 -2.101 -1.326 6.879 183 HG2 GLU 24 2HG GLU 24 -0.840 0.680 7.593 184 HG3 GLU 24 1HG GLU 24 -2.357 1.578 7.627 185 H TYR 25 HN TYR 25 -3.135 0.604 3.016 186 HA TYR 25 HA TYR 25 -3.925 3.330 3.629 187 HD1 TYR 25 HD1 TYR 25 -3.746 4.856 0.052 188 HD2 TYR 25 HD2 TYR 25 -1.338 2.431 2.554 189 HE1 TYR 25 HE1 TYR 25 -1.830 6.311 -0.418 190 HE2 TYR 25 HE2 TYR 25 0.599 3.885 2.098 191 HH TYR 25 HH TYR 25 0.282 6.891 0.395 192 HB2 TYR 25 2HB TYR 25 -3.654 1.675 1.159 193 HB3 TYR 25 1HB TYR 25 -4.725 3.063 1.107 194 H LEU 26 HN LEU 26 -6.169 3.673 2.124 195 HA LEU 26 HA LEU 26 -8.163 1.844 3.261 196 HG LEU 26 HG LEU 26 -10.564 3.113 2.973 197 HB2 LEU 26 2HB LEU 26 -8.510 3.852 4.446 198 HB3 LEU 26 1HB LEU 26 -8.150 4.834 3.047 199 HD11 LEU 26 1HD1 LEU 26 -11.342 5.663 3.883 200 HD12 LEU 26 2HD1 LEU 26 -10.130 5.035 5.000 201 HD13 LEU 26 3HD1 LEU 26 -11.584 4.098 4.660 202 HD21 LEU 26 3HD2 LEU 26 -11.385 5.234 1.777 203 HD22 LEU 26 1HD2 LEU 26 -10.242 4.183 0.945 204 HD23 LEU 26 2HD2 LEU 26 -9.680 5.663 1.714 205 H VAL 27 HN VAL 27 -10.162 1.678 1.908 206 HA VAL 27 HA VAL 27 -9.719 2.662 -0.781 207 HB VAL 27 HB VAL 27 -9.646 0.771 -1.873 208 HG11 VAL 27 1HG1 VAL 27 -7.697 0.637 -0.592 209 HG12 VAL 27 2HG1 VAL 27 -8.370 -0.991 -0.591 210 HG13 VAL 27 3HG1 VAL 27 -8.572 0.044 0.819 211 HG21 VAL 27 3HG2 VAL 27 -11.750 -0.215 -1.365 212 HG22 VAL 27 1HG2 VAL 27 -11.250 -0.573 0.287 213 HG23 VAL 27 2HG2 VAL 27 -10.534 -1.454 -1.062 214 H ARG 28 HN ARG 28 -11.340 3.886 -1.213 215 HA ARG 28 HA ARG 28 -14.023 3.182 -0.347 216 HE ARG 28 HE ARG 28 -11.825 7.686 1.308 217 HB2 ARG 28 2HB ARG 28 -13.302 5.450 -2.177 218 HB3 ARG 28 1HB ARG 28 -14.699 5.315 -1.125 219 HG2 ARG 28 2HG ARG 28 -13.149 5.461 0.828 220 HG3 ARG 28 1HG ARG 28 -11.848 5.817 -0.308 221 HD2 ARG 28 2HD ARG 28 -13.157 7.762 -1.121 222 HD3 ARG 28 1HD ARG 28 -14.367 7.423 0.113 223 HH11 ARG 28 1HH1 ARG 28 -14.322 9.572 -0.216 224 HH12 ARG 28 2HH1 ARG 28 -13.950 11.017 0.664 225 HH21 ARG 28 2HH2 ARG 28 -12.247 11.023 2.194 226 HH22 ARG 28 1HH2 ARG 28 -11.327 9.583 2.477 227 H TRP 29 HN TRP 29 -13.976 1.232 -1.460 228 HA TRP 29 HA TRP 29 -13.529 0.374 -3.881 229 HD1 TRP 29 HD1 TRP 29 -13.588 -1.172 -5.121 230 HE1 TRP 29 HE1 TRP 29 -13.624 -3.708 -5.564 231 HE3 TRP 29 HE3 TRP 29 -16.961 -2.580 -1.542 232 HZ2 TRP 29 HZ2 TRP 29 -14.911 -6.001 -4.534 233 HZ3 TRP 29 HZ3 TRP 29 -17.539 -4.962 -1.338 234 HH2 TRP 29 HH2 TRP 29 -16.534 -6.636 -2.803 235 HB2 TRP 29 2HB TRP 29 -15.221 -0.391 -1.902 236 HB3 TRP 29 1HB TRP 29 -16.358 -0.070 -3.204 237 H LYS 30 HN LYS 30 -13.365 2.043 -5.349 238 HA LYS 30 HA LYS 30 -14.885 3.918 -6.375 239 HB2 LYS 30 2HB LYS 30 -12.952 3.071 -7.596 240 HB3 LYS 30 1HB LYS 30 -13.851 1.637 -8.065 241 HG2 LYS 30 2HG LYS 30 -13.839 3.043 -9.947 242 HG3 LYS 30 1HG LYS 30 -15.456 3.171 -9.254 243 HD2 LYS 30 2HD LYS 30 -14.794 5.260 -8.137 244 HD3 LYS 30 1HD LYS 30 -13.194 5.132 -8.874 245 HE2 LYS 30 2HE LYS 30 -14.226 5.235 -11.099 246 HE3 LYS 30 1HE LYS 30 -15.812 5.400 -10.348 247 HZ1 LYS 30 3HZ LYS 30 -15.082 7.471 -9.341 248 HZ2 LYS 30 1HZ LYS 30 -14.922 7.541 -11.024 249 HZ3 LYS 30 2HZ LYS 30 -13.557 7.310 -10.054 250 H ASP 31 HN ASP 31 -15.840 0.530 -6.629 251 HA ASP 31 HA ASP 31 -18.494 1.412 -7.565 252 HB2 ASP 31 2HB ASP 31 -17.098 -1.223 -8.102 253 HB3 ASP 31 1HB ASP 31 -18.737 -0.820 -8.607 254 H GLY 32 HN GLY 32 -18.267 1.629 -4.987 255 HA2 GLY 32 2HA GLY 32 -19.727 -0.683 -3.921 256 HA3 GLY 32 1HA GLY 32 -18.291 -0.130 -3.066 257 H GLY 33 HN GLY 33 -19.561 0.284 -1.215 258 HA2 GLY 33 2HA GLY 33 -20.809 2.923 -1.298 259 HA3 GLY 33 1HA GLY 33 -21.810 1.591 -0.744 260 H ASP 34 HN ASP 34 -18.442 1.457 -0.044 261 HA ASP 34 HA ASP 34 -18.733 2.688 2.573 262 HB2 ASP 34 2HB ASP 34 -18.014 -0.236 2.264 263 HB3 ASP 34 1HB ASP 34 -17.960 0.674 3.770 264 H CYS 35 HN CYS 35 -16.462 1.918 3.799 265 HA CYS 35 HA CYS 35 -14.252 2.094 1.915 266 HG CYS 35 HG CYS 35 -14.847 3.600 5.553 267 HB2 CYS 35 2HB CYS 35 -13.279 4.068 3.015 268 HB3 CYS 35 1HB CYS 35 -14.834 4.436 2.277 269 H GLU 36 HN GLU 36 -13.143 0.363 2.559 270 HA GLU 36 HA GLU 36 -12.738 -0.090 5.432 271 HB2 GLU 36 2HB GLU 36 -12.290 -1.926 3.075 272 HB3 GLU 36 1HB GLU 36 -12.003 -2.360 4.752 273 HG2 GLU 36 2HG GLU 36 -14.103 -3.264 4.064 274 HG3 GLU 36 1HG GLU 36 -14.393 -1.967 5.222 275 H TRP 37 HN TRP 37 -10.408 -1.541 5.439 276 HA TRP 37 HA TRP 37 -8.447 0.448 4.524 277 HD1 TRP 37 HD1 TRP 37 -8.654 2.230 5.497 278 HE1 TRP 37 HE1 TRP 37 -9.277 3.899 7.356 279 HE3 TRP 37 HE3 TRP 37 -8.385 -0.904 9.527 280 HZ2 TRP 37 HZ2 TRP 37 -9.610 3.887 10.161 281 HZ3 TRP 37 HZ3 TRP 37 -8.870 0.003 11.763 282 HH2 TRP 37 HH2 TRP 37 -9.469 2.349 12.071 283 HB2 TRP 37 2HB TRP 37 -8.529 -1.277 6.984 284 HB3 TRP 37 1HB TRP 37 -7.044 -0.512 6.431 285 H VAL 38 HN VAL 38 -6.428 -0.219 3.816 286 HA VAL 38 HA VAL 38 -6.395 -2.782 2.457 287 HB VAL 38 HB VAL 38 -4.515 -0.430 2.425 288 HG11 VAL 38 1HG1 VAL 38 -3.410 -1.521 0.506 289 HG12 VAL 38 2HG1 VAL 38 -4.358 -2.974 0.825 290 HG13 VAL 38 3HG1 VAL 38 -3.191 -2.400 2.017 291 HG21 VAL 38 3HG2 VAL 38 -6.468 -1.456 0.391 292 HG22 VAL 38 1HG2 VAL 38 -5.340 -0.127 0.131 293 HG23 VAL 38 2HG2 VAL 38 -6.614 0.020 1.341 294 H LYS 39 HN LYS 39 -4.378 -4.103 2.540 295 HA LYS 39 HA LYS 39 -3.733 -4.575 5.296 296 HB2 LYS 39 2HB LYS 39 -4.246 -6.347 3.522 297 HB3 LYS 39 1HB LYS 39 -2.603 -6.079 2.956 298 HG2 LYS 39 2HG LYS 39 -2.580 -7.974 4.384 299 HG3 LYS 39 1HG LYS 39 -1.803 -6.647 5.250 300 HD2 LYS 39 2HD LYS 39 -3.619 -6.357 6.680 301 HD3 LYS 39 1HD LYS 39 -4.729 -7.196 5.594 302 HE2 LYS 39 2HE LYS 39 -3.617 -9.310 6.072 303 HE3 LYS 39 1HE LYS 39 -2.473 -8.483 7.127 304 HZ1 LYS 39 3HZ LYS 39 -4.279 -7.882 8.590 305 HZ2 LYS 39 1HZ LYS 39 -4.270 -9.558 8.363 306 HZ3 LYS 39 2HZ LYS 39 -5.409 -8.602 7.558 307 H GLY 40 HN GLY 40 -2.286 -3.352 6.221 308 HA2 GLY 40 2HA GLY 40 0.147 -2.613 4.787 309 HA3 GLY 40 1HA GLY 40 -0.381 -1.938 6.320 310 H VAL 41 HN VAL 41 -0.358 -5.332 5.656 311 HA VAL 41 HA VAL 41 1.793 -5.698 7.621 312 HB VAL 41 HB VAL 41 0.113 -7.941 6.569 313 HG11 VAL 41 1HG1 VAL 41 2.074 -8.449 7.939 314 HG12 VAL 41 2HG1 VAL 41 0.579 -8.922 8.746 315 HG13 VAL 41 3HG1 VAL 41 1.421 -7.455 9.240 316 HG21 VAL 41 3HG2 VAL 41 -1.552 -6.352 7.227 317 HG22 VAL 41 1HG2 VAL 41 -0.693 -5.993 8.724 318 HG23 VAL 41 2HG2 VAL 41 -1.440 -7.573 8.494 319 H HIS 42 HN HIS 42 1.346 -5.503 4.348 320 HA HIS 42 HA HIS 42 2.843 -7.729 3.441 321 HD1 HIS 42 HD1 HIS 42 0.343 -5.828 0.110 322 HD2 HIS 42 HD2 HIS 42 1.632 -9.061 2.379 323 HE1 HIS 42 HE1 HIS 42 -1.075 -7.771 -0.623 324 HE2 HIS 42 HE2 HIS 42 -0.341 -9.693 0.832 325 HB2 HIS 42 2HB HIS 42 1.765 -5.233 2.275 326 HB3 HIS 42 1HB HIS 42 3.103 -5.993 1.412 327 H VAL 43 HN VAL 43 4.449 -7.621 5.028 328 HA VAL 43 HA VAL 43 6.330 -5.603 5.297 329 HB VAL 43 HB VAL 43 6.844 -8.538 5.693 330 HG11 VAL 43 1HG1 VAL 43 8.511 -7.773 7.326 331 HG12 VAL 43 2HG1 VAL 43 8.174 -6.102 6.878 332 HG13 VAL 43 3HG1 VAL 43 8.880 -7.205 5.699 333 HG21 VAL 43 3HG2 VAL 43 6.261 -8.012 8.084 334 HG22 VAL 43 1HG2 VAL 43 4.906 -7.991 6.956 335 HG23 VAL 43 2HG2 VAL 43 5.615 -6.474 7.509 336 H ALA 44 HN ALA 44 6.467 -5.070 2.955 337 HA ALA 44 HA ALA 44 8.479 -6.627 1.540 338 HB1 ALA 44 3HB ALA 44 8.083 -5.045 -0.310 339 HB2 ALA 44 1HB ALA 44 6.930 -4.177 0.705 340 HB3 ALA 44 2HB ALA 44 6.604 -5.842 0.221 341 H GLU 45 HN GLU 45 9.524 -5.822 3.773 342 HA GLU 45 HA GLU 45 10.573 -3.308 4.114 343 HB2 GLU 45 2HB GLU 45 12.245 -4.295 5.512 344 HB3 GLU 45 1HB GLU 45 10.770 -5.231 5.711 345 HG2 GLU 45 2HG GLU 45 13.128 -5.993 4.004 346 HG3 GLU 45 1HG GLU 45 12.732 -6.662 5.586 347 H ASP 46 HN ASP 46 11.413 -5.709 1.782 348 HA ASP 46 HA ASP 46 13.989 -4.747 1.100 349 HB2 ASP 46 2HB ASP 46 11.937 -6.250 -0.534 350 HB3 ASP 46 1HB ASP 46 13.580 -5.922 -1.077 351 H VAL 47 HN VAL 47 10.770 -4.093 -0.238 352 HA VAL 47 HA VAL 47 11.539 -2.330 -2.275 353 HB VAL 47 HB VAL 47 8.987 -2.228 -0.666 354 HG11 VAL 47 1HG1 VAL 47 9.786 -1.136 -3.348 355 HG12 VAL 47 2HG1 VAL 47 9.084 -0.287 -1.971 356 HG13 VAL 47 3HG1 VAL 47 8.098 -1.403 -2.911 357 HG21 VAL 47 3HG2 VAL 47 9.560 -3.795 -3.181 358 HG22 VAL 47 1HG2 VAL 47 8.037 -3.743 -2.296 359 HG23 VAL 47 2HG2 VAL 47 9.459 -4.484 -1.564 360 H ALA 48 HN ALA 48 11.189 -1.891 1.098 361 HA ALA 48 HA ALA 48 11.250 0.991 1.144 362 HB1 ALA 48 3HB ALA 48 11.269 -1.032 3.372 363 HB2 ALA 48 1HB ALA 48 9.861 -0.168 2.756 364 HB3 ALA 48 2HB ALA 48 11.149 0.715 3.574 365 H LYS 49 HN LYS 49 13.199 -1.622 2.574 366 HA LYS 49 HA LYS 49 15.399 -0.071 3.288 367 HB2 LYS 49 2HB LYS 49 15.089 -2.370 4.084 368 HB3 LYS 49 1HB LYS 49 15.324 -2.981 2.453 369 HG2 LYS 49 2HG LYS 49 17.622 -2.166 2.468 370 HG3 LYS 49 1HG LYS 49 17.389 -1.533 4.098 371 HD2 LYS 49 2HD LYS 49 17.187 -4.433 3.283 372 HD3 LYS 49 1HD LYS 49 18.544 -3.691 4.132 373 HE2 LYS 49 2HE LYS 49 15.712 -3.919 5.145 374 HE3 LYS 49 1HE LYS 49 17.090 -4.877 5.684 375 HZ1 LYS 49 3HZ LYS 49 18.134 -2.855 6.495 376 HZ2 LYS 49 1HZ LYS 49 16.616 -3.069 7.212 377 HZ3 LYS 49 2HZ LYS 49 16.816 -1.933 5.973 378 H ASP 50 HN ASP 50 14.369 -1.384 0.253 379 HA ASP 50 HA ASP 50 16.868 -0.701 -1.064 380 HB2 ASP 50 2HB ASP 50 15.499 -2.798 -1.608 381 HB3 ASP 50 1HB ASP 50 14.353 -1.712 -2.391 382 H TYR 51 HN TYR 51 13.665 0.541 -0.523 383 HA TYR 51 HA TYR 51 13.620 2.340 -2.669 384 HD1 TYR 51 HD1 TYR 51 12.397 3.380 -3.717 385 HD2 TYR 51 HD2 TYR 51 9.658 1.621 -0.980 386 HE1 TYR 51 HE1 TYR 51 10.715 3.229 -5.504 387 HE2 TYR 51 HE2 TYR 51 7.969 1.470 -2.756 388 HH TYR 51 HH TYR 51 8.699 1.901 -6.029 389 HB2 TYR 51 2HB TYR 51 11.961 1.876 -0.389 390 HB3 TYR 51 1HB TYR 51 12.122 3.580 -0.689 391 H GLU 52 HN GLU 52 13.791 3.080 0.749 392 HA GLU 52 HA GLU 52 15.023 5.614 0.271 393 HB2 GLU 52 2HB GLU 52 14.864 5.885 2.721 394 HB3 GLU 52 1HB GLU 52 13.331 5.449 1.979 395 HG2 GLU 52 2HG GLU 52 13.615 3.148 2.688 396 HG3 GLU 52 1HG GLU 52 15.180 3.547 3.394 397 H ASP 53 HN ASP 53 15.934 2.589 1.848 398 HA ASP 53 HA ASP 53 18.581 3.546 2.476 399 HB2 ASP 53 2HB ASP 53 16.952 1.153 3.047 400 HB3 ASP 53 1HB ASP 53 18.692 0.881 2.960 401 H GLY 54 HN GLY 54 17.065 1.794 -0.105 402 HA2 GLY 54 2HA GLY 54 19.511 0.640 -1.101 403 HA3 GLY 54 1HA GLY 54 17.957 0.652 -1.919 404 H LEU 55 HN LEU 55 17.344 3.214 -2.290 405 HA LEU 55 HA LEU 55 19.107 4.014 -4.365 406 HG LEU 55 HG LEU 55 15.964 3.538 -3.983 407 HB2 LEU 55 2HB LEU 55 16.899 5.596 -3.045 408 HB3 LEU 55 1HB LEU 55 17.653 5.967 -4.583 409 HD11 LEU 55 1HD1 LEU 55 14.371 4.552 -5.527 410 HD12 LEU 55 2HD1 LEU 55 15.423 5.956 -5.699 411 HD13 LEU 55 3HD1 LEU 55 14.673 5.602 -4.143 412 HD21 LEU 55 3HD2 LEU 55 17.710 2.997 -5.575 413 HD22 LEU 55 1HD2 LEU 55 17.305 4.420 -6.535 414 HD23 LEU 55 2HD2 LEU 55 16.151 3.094 -6.394 415 H GLU 56 HN GLU 56 18.248 5.602 -1.288 416 HA GLU 56 HA GLU 56 20.595 7.298 -1.498 417 HB2 GLU 56 2HB GLU 56 18.463 7.210 0.624 418 HB3 GLU 56 1HB GLU 56 19.710 8.437 0.476 419 HG2 GLU 56 2HG GLU 56 18.776 9.138 -1.662 420 HG3 GLU 56 1HG GLU 56 17.531 7.896 -1.529 421 H TYR 57 HN TYR 57 21.544 4.898 -1.351 422 HA TYR 57 HA TYR 57 21.949 3.955 1.334 423 HD1 TYR 57 HD1 TYR 57 22.245 0.951 1.449 424 HD2 TYR 57 HD2 TYR 57 25.522 2.877 -0.464 425 HE1 TYR 57 HE1 TYR 57 23.807 -0.524 2.648 426 HE2 TYR 57 HE2 TYR 57 27.091 1.406 0.729 427 HH TYR 57 HH TYR 57 27.154 0.045 2.765 428 HB2 TYR 57 2HB TYR 57 21.904 2.364 -0.506 429 HB3 TYR 57 1HB TYR 57 23.258 3.178 -1.280 430 HA ALA 1 HA ALA 1 -7.798 -9.140 6.929 431 H1 ALA 1 1H ALA 1 -9.317 -8.744 8.753 432 H2 ALA 1 2H ALA 1 -8.986 -10.395 8.591 433 H3 ALA 1 3H ALA 1 -10.464 -9.773 8.053 434 HB1 ALA 1 3HB ALA 1 -10.064 -10.759 5.775 435 HB2 ALA 1 1HB ALA 1 -8.545 -11.404 6.398 436 HB3 ALA 1 2HB ALA 1 -8.544 -10.376 4.966 437 HA PRO 2 HA PRO 2 -10.281 -5.323 6.262 438 HB2 PRO 2 1HB PRO 2 -8.642 -3.704 6.069 439 HB3 PRO 2 2HB PRO 2 -7.618 -4.719 5.047 440 HG2 PRO 2 2HG PRO 2 -6.498 -4.909 7.082 441 HG3 PRO 2 1HG PRO 2 -7.999 -4.788 8.018 442 HD2 PRO 2 2HD PRO 2 -6.814 -7.141 6.630 443 HD3 PRO 2 1HD PRO 2 -7.784 -7.074 8.114 444 HA PRO 3 HA PRO 3 -11.126 -7.054 2.109 445 HB2 PRO 3 1HB PRO 3 -13.407 -6.955 1.977 446 HB3 PRO 3 2HB PRO 3 -13.456 -5.247 2.426 447 HG2 PRO 3 2HG PRO 3 -14.236 -6.194 4.397 448 HG3 PRO 3 1HG PRO 3 -13.271 -7.666 4.177 449 HD2 PRO 3 2HD PRO 3 -12.426 -4.977 5.179 450 HD3 PRO 3 1HD PRO 3 -11.940 -6.591 5.736 451 H GLY 4 HN GLY 4 -11.168 -3.698 3.192 452 HA2 GLY 4 2HA GLY 4 -11.359 -2.446 0.693 453 HA3 GLY 4 1HA GLY 4 -10.606 -1.745 2.118 454 H THR 5 HN THR 5 -10.099 -3.405 -0.867 455 HA THR 5 HA THR 5 -7.309 -2.653 -0.864 456 HB THR 5 HB THR 5 -6.423 -4.862 -1.343 457 HG1 THR 5 HG1 THR 5 -8.190 -5.888 -2.268 458 HG21 THR 5 3HG2 THR 5 -6.487 -4.165 0.998 459 HG22 THR 5 1HG2 THR 5 -6.720 -5.907 0.857 460 HG23 THR 5 2HG2 THR 5 -8.100 -4.856 1.168 461 H ALA 6 HN ALA 6 -6.357 -2.644 -2.972 462 HA ALA 6 HA ALA 6 -7.949 -3.593 -5.198 463 HB1 ALA 6 3HB ALA 6 -8.895 -1.700 -5.805 464 HB2 ALA 6 1HB ALA 6 -7.344 -0.862 -5.789 465 HB3 ALA 6 2HB ALA 6 -8.297 -0.979 -4.312 466 H ARG 7 HN ARG 7 -5.520 -0.981 -5.168 467 HA ARG 7 HA ARG 7 -4.165 -1.830 -7.400 468 HE ARG 7 HE ARG 7 -5.146 2.541 -7.970 469 HB2 ARG 7 2HB ARG 7 -3.025 -0.345 -5.045 470 HB3 ARG 7 1HB ARG 7 -2.237 -0.499 -6.602 471 HG2 ARG 7 2HG ARG 7 -4.888 0.834 -6.093 472 HG3 ARG 7 1HG ARG 7 -3.351 1.648 -6.395 473 HD2 ARG 7 2HD ARG 7 -3.235 0.608 -8.605 474 HD3 ARG 7 1HD ARG 7 -4.765 -0.213 -8.303 475 HH11 ARG 7 1HH1 ARG 7 -4.446 0.233 -10.482 476 HH12 ARG 7 2HH1 ARG 7 -5.211 1.161 -11.728 477 HH21 ARG 7 2HH2 ARG 7 -6.185 3.171 -11.228 478 HH22 ARG 7 1HH2 ARG 7 -6.158 3.771 -9.604 479 H ARG 8 HN ARG 8 -2.036 -1.920 -4.576 480 HA ARG 8 HA ARG 8 -0.570 -3.532 -3.899 481 HE ARG 8 HE ARG 8 -3.201 -5.426 -0.285 482 HB2 ARG 8 2HB ARG 8 -2.976 -5.128 -4.704 483 HB3 ARG 8 1HB ARG 8 -1.504 -5.956 -4.218 484 HG2 ARG 8 2HG ARG 8 -1.622 -5.122 -2.038 485 HG3 ARG 8 1HG ARG 8 -2.776 -3.863 -2.492 486 HD2 ARG 8 2HD ARG 8 -4.535 -5.395 -2.704 487 HD3 ARG 8 1HD ARG 8 -3.441 -6.777 -2.757 488 HH11 ARG 8 1HH1 ARG 8 -5.341 -7.523 -2.062 489 HH12 ARG 8 2HH1 ARG 8 -6.031 -8.235 -0.642 490 HH21 ARG 8 2HH2 ARG 8 -5.321 -7.573 1.434 491 HH22 ARG 8 1HH2 ARG 8 -4.099 -6.356 1.581 492 H LYS 9 HN LYS 9 0.917 -5.236 -4.706 493 HA LYS 9 HA LYS 9 0.940 -5.490 -7.630 494 HB2 LYS 9 2HB LYS 9 3.391 -4.742 -6.024 495 HB3 LYS 9 1HB LYS 9 3.273 -4.887 -7.771 496 HG2 LYS 9 2HG LYS 9 1.741 -2.867 -6.158 497 HG3 LYS 9 1HG LYS 9 3.298 -2.550 -6.925 498 HD2 LYS 9 2HD LYS 9 2.334 -3.065 -9.110 499 HD3 LYS 9 1HD LYS 9 0.780 -3.410 -8.351 500 HE2 LYS 9 2HE LYS 9 0.794 -1.175 -9.314 501 HE3 LYS 9 1HE LYS 9 0.654 -1.100 -7.557 502 HZ1 LYS 9 3HZ LYS 9 2.226 0.531 -8.376 503 HZ2 LYS 9 1HZ LYS 9 3.148 -0.681 -9.115 504 HZ3 LYS 9 2HZ LYS 9 3.022 -0.623 -7.429 505 H ARG 10 HN ARG 10 3.428 -6.788 -7.814 506 HA ARG 10 HA ARG 10 2.841 -9.429 -7.487 507 HE ARG 10 HE ARG 10 8.175 -7.035 -6.201 508 HB2 ARG 10 2HB ARG 10 5.231 -9.881 -7.651 509 HB3 ARG 10 1HB ARG 10 4.775 -8.586 -8.751 510 HG2 ARG 10 2HG ARG 10 5.688 -6.931 -7.276 511 HG3 ARG 10 1HG ARG 10 6.002 -8.147 -6.034 512 HD2 ARG 10 2HD ARG 10 7.562 -9.272 -7.585 513 HD3 ARG 10 1HD ARG 10 7.286 -7.990 -8.762 514 HH11 ARG 10 1HH1 ARG 10 9.177 -8.263 -9.303 515 HH12 ARG 10 2HH1 ARG 10 10.747 -7.538 -9.227 516 HH21 ARG 10 2HH2 ARG 10 11.354 -6.297 -7.400 517 HH22 ARG 10 1HH2 ARG 10 10.241 -6.078 -6.090 518 H LYS 11 HN LYS 11 3.912 -7.195 -5.065 519 HA LYS 11 HA LYS 11 3.858 -7.349 -2.791 520 1HB LYS 11 1HB LYS 11 3.091 -9.305 -1.640 521 2HB LYS 11 2HB LYS 11 3.326 -10.309 -3.061 522 1HG LYS 11 2HG LYS 11 0.808 -6.613 0.597 523 2HG LYS 11 1HG LYS 11 1.485 -5.883 2.055 524 1HD LYS 11 2HD LYS 11 3.022 -6.567 -0.444 525 2HD LYS 11 1HD LYS 11 2.481 -4.950 0.013 526 1HE LYS 11 1HE LYS 11 4.352 -6.673 1.634 527 2HE LYS 11 2HE LYS 11 3.874 -5.014 1.994 528 1HZ LYS 11 1HZ LYS 11 0.169 -11.739 -0.383 529 2HZ LYS 11 2HZ LYS 11 0.129 -13.065 -1.431 530 3HZ LYS 11 3HZ LYS 11 -1.035 -11.845 -1.567 531 H ALA 12 HN ALA 12 5.925 -6.865 -2.444 532 HA ALA 12 HA ALA 12 7.966 -8.941 -2.711 533 HB1 ALA 12 3HB ALA 12 8.205 -6.550 -3.628 534 HB2 ALA 12 1HB ALA 12 9.566 -7.245 -2.747 535 HB3 ALA 12 2HB ALA 12 8.495 -6.095 -1.948 536 H ASP 13 HN ASP 13 5.963 -8.958 -0.564 537 HA ASP 13 HA ASP 13 7.687 -8.500 1.774 538 HB2 ASP 13 2HB ASP 13 5.609 -8.523 3.104 539 HB3 ASP 13 1HB ASP 13 5.573 -7.277 1.860 540 H SER 14 HN SER 14 8.255 -10.697 0.287 541 HA SER 14 HA SER 14 8.683 -12.907 0.500 542 HG SER 14 HG SER 14 9.316 -14.492 3.006 543 HB2 SER 14 2HB SER 14 9.197 -12.413 2.832 544 HB3 SER 14 1HB SER 14 7.489 -12.521 3.254 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 9.097 3.382 -5.418 2 H2 GLY 1 2H GLY 1 9.027 2.796 -7.003 3 H3 GLY 1 3H GLY 1 8.933 4.460 -6.713 4 HA2 GLY 1 1HA GLY 1 11.298 2.768 -6.111 5 HA3 GLY 1 2HA GLY 1 11.127 3.762 -7.548 6 H SER 2 HN SER 2 10.044 4.656 -4.308 7 HA SER 2 HA SER 2 12.241 6.090 -3.425 8 HG SER 2 HG SER 2 10.863 9.324 -3.892 9 HB2 SER 2 2HB SER 2 12.128 7.472 -5.382 10 HB3 SER 2 1HB SER 2 10.398 7.732 -5.165 11 H GLN 3 HN GLN 3 8.749 5.908 -3.656 12 HA GLN 3 HA GLN 3 8.389 7.250 -1.116 13 HB2 GLN 3 2HB GLN 3 6.437 5.968 -2.994 14 HB3 GLN 3 1HB GLN 3 5.977 6.788 -1.514 15 HG2 GLN 3 2HG GLN 3 7.392 8.051 -3.852 16 HG3 GLN 3 1HG GLN 3 5.672 8.192 -3.494 17 HE21 GLN 3 2HE2 GLN 3 8.428 10.386 -1.477 18 HE22 GLN 3 1HE2 GLN 3 8.887 9.106 -2.542 19 H VAL 4 HN VAL 4 7.917 6.262 0.799 20 HA VAL 4 HA VAL 4 8.370 3.386 0.875 21 HB VAL 4 HB VAL 4 7.956 5.058 3.326 22 HG11 VAL 4 1HG1 VAL 4 8.177 2.583 3.439 23 HG12 VAL 4 2HG1 VAL 4 9.408 3.454 4.351 24 HG13 VAL 4 3HG1 VAL 4 9.806 2.745 2.787 25 HG21 VAL 4 3HG2 VAL 4 9.524 6.382 2.089 26 HG22 VAL 4 1HG2 VAL 4 10.467 4.953 1.665 27 HG23 VAL 4 2HG2 VAL 4 10.412 5.509 3.337 28 H PHE 5 HN PHE 5 5.990 3.878 -0.286 29 HA PHE 5 HA PHE 5 4.197 2.390 1.253 30 HD1 PHE 5 HD1 PHE 5 5.011 6.293 2.937 31 HD2 PHE 5 HD2 PHE 5 2.578 5.639 -0.492 32 HE1 PHE 5 HE1 PHE 5 5.373 8.624 2.242 33 HE2 PHE 5 HE2 PHE 5 2.934 7.970 -1.195 34 HZ PHE 5 HZ PHE 5 4.334 9.465 0.173 35 HB2 PHE 5 2HB PHE 5 2.496 4.197 1.702 36 HB3 PHE 5 1HB PHE 5 3.942 4.278 2.695 37 H GLU 6 HN GLU 6 2.314 1.866 0.100 38 HA GLU 6 HA GLU 6 1.970 3.142 -2.527 39 HB2 GLU 6 2HB GLU 6 3.147 1.047 -2.899 40 HB3 GLU 6 1HB GLU 6 1.948 0.175 -1.951 41 HG2 GLU 6 2HG GLU 6 1.542 -0.182 -4.288 42 HG3 GLU 6 1HG GLU 6 0.234 0.780 -3.605 43 H TYR 7 HN TYR 7 -0.165 3.334 -3.245 44 HA TYR 7 HA TYR 7 -2.124 3.016 -1.157 45 HD1 TYR 7 HD1 TYR 7 -4.350 3.766 -4.720 46 HD2 TYR 7 HD2 TYR 7 -0.344 5.111 -4.227 47 HE1 TYR 7 HE1 TYR 7 -4.123 3.966 -7.159 48 HE2 TYR 7 HE2 TYR 7 -0.106 5.313 -6.666 49 HH TYR 7 HH TYR 7 -2.755 5.192 -8.785 50 HB2 TYR 7 2HB TYR 7 -3.554 4.385 -2.567 51 HB3 TYR 7 1HB TYR 7 -1.987 5.140 -2.351 52 H ALA 8 HN ALA 8 -3.011 1.116 -0.943 53 HA ALA 8 HA ALA 8 -3.639 -0.535 -3.268 54 HB1 ALA 8 3HB ALA 8 -2.669 -1.679 -1.380 55 HB2 ALA 8 1HB ALA 8 -4.352 -2.186 -1.523 56 HB3 ALA 8 2HB ALA 8 -3.885 -1.012 -0.292 57 H GLU 9 HN GLU 9 -5.061 1.670 -3.538 58 HA GLU 9 HA GLU 9 -7.709 1.148 -2.425 59 HB2 GLU 9 2HB GLU 9 -7.467 3.223 -1.678 60 HB3 GLU 9 1HB GLU 9 -6.057 3.491 -2.678 61 HG2 GLU 9 2HG GLU 9 -8.882 3.787 -3.616 62 HG3 GLU 9 1HG GLU 9 -7.885 5.100 -3.029 63 H VAL 10 HN VAL 10 -9.512 1.423 -3.574 64 HA VAL 10 HA VAL 10 -9.235 0.748 -6.337 65 HB VAL 10 HB VAL 10 -11.667 0.862 -4.636 66 HG11 VAL 10 1HG1 VAL 10 -11.609 -0.784 -7.080 67 HG12 VAL 10 2HG1 VAL 10 -11.638 0.959 -7.333 68 HG13 VAL 10 3HG1 VAL 10 -12.920 0.183 -6.407 69 HG21 VAL 10 3HG2 VAL 10 -10.302 -0.824 -3.749 70 HG22 VAL 10 1HG2 VAL 10 -9.786 -1.354 -5.351 71 HG23 VAL 10 2HG2 VAL 10 -11.430 -1.672 -4.807 72 H ASP 11 HN ASP 11 -10.476 3.320 -4.353 73 HA ASP 11 HA ASP 11 -10.465 5.046 -6.711 74 HB2 ASP 11 2HB ASP 11 -12.800 4.262 -6.270 75 HB3 ASP 11 1HB ASP 11 -12.723 5.066 -4.711 76 H GLU 12 HN GLU 12 -10.432 4.802 -3.170 77 HA GLU 12 HA GLU 12 -8.840 7.210 -3.018 78 HB2 GLU 12 2HB GLU 12 -11.651 7.181 -1.949 79 HB3 GLU 12 1HB GLU 12 -10.425 8.279 -1.330 80 HG2 GLU 12 2HG GLU 12 -11.326 8.123 -4.197 81 HG3 GLU 12 1HG GLU 12 -11.870 9.315 -3.019 82 H ILE 13 HN ILE 13 -7.940 7.633 -0.910 83 HA ILE 13 HA ILE 13 -8.207 5.385 0.982 84 HB ILE 13 HB ILE 13 -5.836 5.246 1.344 85 HG12 ILE 13 2HG1 ILE 13 -5.406 7.726 1.180 86 HG13 ILE 13 1HG1 ILE 13 -4.220 6.751 0.320 87 HG21 ILE 13 1HG2 ILE 13 -6.901 5.106 -1.358 88 HG22 ILE 13 2HG2 ILE 13 -5.942 3.937 -0.455 89 HG23 ILE 13 3HG2 ILE 13 -5.153 5.266 -1.302 90 HD11 ILE 13 3HD1 ILE 13 -6.269 8.605 -0.727 91 HD12 ILE 13 1HD1 ILE 13 -5.881 7.183 -1.696 92 HD13 ILE 13 2HD1 ILE 13 -4.610 8.325 -1.256 93 H VAL 14 HN VAL 14 -6.526 6.238 2.951 94 HA VAL 14 HA VAL 14 -7.075 9.007 3.605 95 HB VAL 14 HB VAL 14 -8.171 6.751 5.293 96 HG11 VAL 14 1HG1 VAL 14 -7.183 8.402 6.753 97 HG12 VAL 14 2HG1 VAL 14 -8.940 8.541 6.823 98 HG13 VAL 14 3HG1 VAL 14 -8.000 9.705 5.888 99 HG21 VAL 14 3HG2 VAL 14 -10.324 7.863 4.931 100 HG22 VAL 14 1HG2 VAL 14 -9.591 7.362 3.407 101 HG23 VAL 14 2HG2 VAL 14 -9.534 9.055 3.900 102 H GLU 15 HN GLU 15 -6.025 5.929 5.031 103 HA GLU 15 HA GLU 15 -3.833 7.286 6.406 104 HB2 GLU 15 2HB GLU 15 -4.688 4.381 6.456 105 HB3 GLU 15 1HB GLU 15 -3.446 5.097 7.474 106 HG2 GLU 15 2HG GLU 15 -5.082 6.480 8.574 107 HG3 GLU 15 1HG GLU 15 -6.344 5.911 7.483 108 H LYS 16 HN LYS 16 -1.670 7.012 5.860 109 HA LYS 16 HA LYS 16 -0.970 5.038 3.843 110 HB2 LYS 16 2HB LYS 16 0.167 6.882 2.473 111 HB3 LYS 16 1HB LYS 16 -1.579 6.731 2.345 112 HG2 LYS 16 2HG LYS 16 -1.852 8.587 3.912 113 HG3 LYS 16 1HG LYS 16 -0.098 8.737 4.032 114 HD2 LYS 16 2HD LYS 16 0.050 9.286 1.678 115 HD3 LYS 16 1HD LYS 16 -1.685 9.031 1.483 116 HE2 LYS 16 2HE LYS 16 -0.407 11.124 3.240 117 HE3 LYS 16 1HE LYS 16 -1.102 11.415 1.646 118 HZ1 LYS 16 3HZ LYS 16 -2.654 11.997 3.397 119 HZ2 LYS 16 1HZ LYS 16 -2.581 10.428 4.026 120 HZ3 LYS 16 2HZ LYS 16 -3.251 10.696 2.496 121 H ARG 17 HN ARG 17 0.474 4.155 5.432 122 HA ARG 17 HA ARG 17 3.016 5.514 5.581 123 HE ARG 17 HE ARG 17 0.157 7.080 8.457 124 HB2 ARG 17 2HB ARG 17 3.177 5.469 8.030 125 HB3 ARG 17 1HB ARG 17 1.879 6.515 7.477 126 HG2 ARG 17 2HG ARG 17 0.311 4.573 7.906 127 HG3 ARG 17 1HG ARG 17 1.657 3.811 8.755 128 HD2 ARG 17 2HD ARG 17 0.294 4.950 10.361 129 HD3 ARG 17 1HD ARG 17 1.822 5.816 10.199 130 HH11 ARG 17 1HH1 ARG 17 0.010 6.303 11.848 131 HH12 ARG 17 2HH1 ARG 17 -0.959 7.678 12.255 132 HH21 ARG 17 2HH2 ARG 17 -1.603 9.154 10.627 133 HH22 ARG 17 1HH2 ARG 17 -1.123 8.898 8.983 134 H GLY 18 HN GLY 18 3.923 3.708 4.503 135 HA2 GLY 18 2HA GLY 18 4.275 1.402 6.242 136 HA3 GLY 18 1HA GLY 18 3.437 1.099 4.742 137 H LYS 19 HN LYS 19 4.709 -0.046 3.572 138 HA LYS 19 HA LYS 19 7.491 0.785 3.162 139 HB2 LYS 19 2HB LYS 19 6.147 -1.895 3.183 140 HB3 LYS 19 1HB LYS 19 7.811 -1.665 2.647 141 HG2 LYS 19 2HG LYS 19 8.369 -0.771 4.873 142 HG3 LYS 19 1HG LYS 19 6.714 -1.107 5.391 143 HD2 LYS 19 2HD LYS 19 7.045 -3.467 4.856 144 HD3 LYS 19 1HD LYS 19 8.709 -3.121 4.390 145 HE2 LYS 19 2HE LYS 19 7.515 -2.694 7.128 146 HE3 LYS 19 1HE LYS 19 8.584 -4.019 6.671 147 HZ1 LYS 19 3HZ LYS 19 9.794 -2.261 7.793 148 HZ2 LYS 19 1HZ LYS 19 9.291 -1.135 6.634 149 HZ3 LYS 19 2HZ LYS 19 10.317 -2.404 6.191 150 H GLY 20 HN GLY 20 6.800 -1.664 1.036 151 HA2 GLY 20 2HA GLY 20 6.289 0.213 -1.121 152 HA3 GLY 20 1HA GLY 20 6.784 -1.470 -1.284 153 H LYS 21 HN LYS 21 5.154 -2.678 0.391 154 HA LYS 21 HA LYS 21 2.412 -2.060 -0.413 155 HB2 LYS 21 2HB LYS 21 3.968 -4.275 -1.330 156 HB3 LYS 21 1HB LYS 21 2.661 -4.882 -0.321 157 HG2 LYS 21 2HG LYS 21 2.368 -3.077 -2.711 158 HG3 LYS 21 1HG LYS 21 1.992 -4.800 -2.652 159 HD2 LYS 21 2HD LYS 21 0.663 -2.690 -0.953 160 HD3 LYS 21 1HD LYS 21 -0.008 -3.342 -2.447 161 HE2 LYS 21 2HE LYS 21 -0.275 -5.489 -1.508 162 HE3 LYS 21 1HE LYS 21 0.750 -5.097 -0.128 163 HZ1 LYS 21 3HZ LYS 21 -0.901 -3.807 0.833 164 HZ2 LYS 21 1HZ LYS 21 -1.770 -5.116 0.204 165 HZ3 LYS 21 2HZ LYS 21 -1.766 -3.632 -0.610 166 H ASP 22 HN ASP 22 4.422 -2.360 2.125 167 HA ASP 22 HA ASP 22 2.769 -3.961 3.825 168 HB2 ASP 22 2HB ASP 22 5.342 -3.843 3.945 169 HB3 ASP 22 1HB ASP 22 5.093 -2.290 4.721 170 H VAL 23 HN VAL 23 2.278 -1.116 2.642 171 HA VAL 23 HA VAL 23 1.721 0.352 5.041 172 HB VAL 23 HB VAL 23 2.657 1.363 2.957 173 HG11 VAL 23 1HG1 VAL 23 0.875 2.038 1.280 174 HG12 VAL 23 2HG1 VAL 23 -0.123 0.768 1.966 175 HG13 VAL 23 3HG1 VAL 23 1.423 0.369 1.218 176 HG21 VAL 23 3HG2 VAL 23 1.829 3.368 3.564 177 HG22 VAL 23 1HG2 VAL 23 1.129 2.425 4.880 178 HG23 VAL 23 2HG2 VAL 23 0.152 2.828 3.469 179 H GLU 24 HN GLU 24 -0.333 1.210 5.509 180 HA GLU 24 HA GLU 24 -2.503 -0.573 4.643 181 HB2 GLU 24 2HB GLU 24 -3.606 0.217 6.815 182 HB3 GLU 24 1HB GLU 24 -2.264 -0.909 6.945 183 HG2 GLU 24 2HG GLU 24 -0.763 1.000 7.413 184 HG3 GLU 24 1HG GLU 24 -2.170 2.062 7.401 185 H TYR 25 HN TYR 25 -3.412 0.512 2.999 186 HA TYR 25 HA TYR 25 -4.045 3.348 3.328 187 HD1 TYR 25 HD1 TYR 25 -3.785 4.917 0.012 188 HD2 TYR 25 HD2 TYR 25 -1.245 2.338 2.216 189 HE1 TYR 25 HE1 TYR 25 -1.922 6.457 -0.381 190 HE2 TYR 25 HE2 TYR 25 0.634 3.874 1.833 191 HH TYR 25 HH TYR 25 0.221 7.020 0.534 192 HB2 TYR 25 2HB TYR 25 -3.516 1.601 0.980 193 HB3 TYR 25 1HB TYR 25 -4.645 2.932 0.766 194 H LEU 26 HN LEU 26 -6.174 4.074 2.768 195 HA LEU 26 HA LEU 26 -8.232 2.130 3.377 196 HG LEU 26 HG LEU 26 -10.563 3.376 3.129 197 HB2 LEU 26 2HB LEU 26 -8.473 4.164 4.578 198 HB3 LEU 26 1HB LEU 26 -8.175 5.129 3.148 199 HD11 LEU 26 1HD1 LEU 26 -10.261 5.812 4.839 200 HD12 LEU 26 2HD1 LEU 26 -10.923 4.235 5.266 201 HD13 LEU 26 3HD1 LEU 26 -11.827 5.312 4.202 202 HD21 LEU 26 3HD2 LEU 26 -9.778 6.027 1.992 203 HD22 LEU 26 1HD2 LEU 26 -11.460 5.494 2.022 204 HD23 LEU 26 2HD2 LEU 26 -10.253 4.548 1.153 205 H VAL 27 HN VAL 27 -10.144 1.954 1.966 206 HA VAL 27 HA VAL 27 -9.649 2.937 -0.712 207 HB VAL 27 HB VAL 27 -9.204 1.110 -1.720 208 HG11 VAL 27 1HG1 VAL 27 -7.747 0.886 0.222 209 HG12 VAL 27 2HG1 VAL 27 -8.118 -0.661 -0.537 210 HG13 VAL 27 3HG1 VAL 27 -8.932 -0.197 0.957 211 HG21 VAL 27 3HG2 VAL 27 -11.410 0.219 -1.826 212 HG22 VAL 27 1HG2 VAL 27 -11.308 -0.361 -0.165 213 HG23 VAL 27 2HG2 VAL 27 -10.322 -1.109 -1.419 214 H ARG 28 HN ARG 28 -11.308 4.107 -1.147 215 HA ARG 28 HA ARG 28 -13.991 3.320 -0.395 216 HE ARG 28 HE ARG 28 -17.350 6.775 -1.224 217 HB2 ARG 28 2HB ARG 28 -13.034 5.758 -0.680 218 HB3 ARG 28 1HB ARG 28 -13.332 5.451 -2.385 219 HG2 ARG 28 2HG ARG 28 -15.695 5.020 -1.887 220 HG3 ARG 28 1HG ARG 28 -15.387 5.400 -0.191 221 HD2 ARG 28 2HD ARG 28 -14.689 7.653 -0.817 222 HD3 ARG 28 1HD ARG 28 -14.964 7.275 -2.516 223 HH11 ARG 28 1HH1 ARG 28 -15.246 9.505 -1.712 224 HH12 ARG 28 2HH1 ARG 28 -16.527 10.669 -1.664 225 HH21 ARG 28 2HH2 ARG 28 -18.691 9.982 -1.349 226 HH22 ARG 28 1HH2 ARG 28 -19.049 8.298 -1.160 227 H TRP 29 HN TRP 29 -13.767 1.300 -1.378 228 HA TRP 29 HA TRP 29 -13.148 0.356 -3.726 229 HD1 TRP 29 HD1 TRP 29 -13.226 -1.136 -5.068 230 HE1 TRP 29 HE1 TRP 29 -13.532 -3.552 -5.902 231 HE3 TRP 29 HE3 TRP 29 -16.864 -2.659 -1.816 232 HZ2 TRP 29 HZ2 TRP 29 -15.111 -5.806 -5.265 233 HZ3 TRP 29 HZ3 TRP 29 -17.718 -4.958 -1.995 234 HH2 TRP 29 HH2 TRP 29 -16.859 -6.499 -3.683 235 HB2 TRP 29 2HB TRP 29 -14.640 -0.603 -1.833 236 HB3 TRP 29 1HB TRP 29 -15.970 -0.134 -2.880 237 H LYS 30 HN LYS 30 -13.025 1.935 -5.280 238 HA LYS 30 HA LYS 30 -14.631 3.651 -6.460 239 HB2 LYS 30 2HB LYS 30 -12.543 2.815 -7.500 240 HB3 LYS 30 1HB LYS 30 -13.412 1.396 -8.061 241 HG2 LYS 30 2HG LYS 30 -14.886 2.857 -9.391 242 HG3 LYS 30 1HG LYS 30 -13.926 4.246 -8.879 243 HD2 LYS 30 2HD LYS 30 -11.961 3.327 -9.949 244 HD3 LYS 30 1HD LYS 30 -12.844 1.860 -10.374 245 HE2 LYS 30 2HE LYS 30 -13.440 4.646 -11.362 246 HE3 LYS 30 1HE LYS 30 -12.665 3.361 -12.287 247 HZ1 LYS 30 3HZ LYS 30 -14.985 3.506 -12.855 248 HZ2 LYS 30 1HZ LYS 30 -15.443 3.337 -11.235 249 HZ3 LYS 30 2HZ LYS 30 -14.705 2.048 -12.045 250 H ASP 31 HN ASP 31 -15.295 0.196 -6.579 251 HA ASP 31 HA ASP 31 -17.969 0.799 -7.663 252 HB2 ASP 31 2HB ASP 31 -16.670 -0.510 -9.265 253 HB3 ASP 31 1HB ASP 31 -16.301 -1.703 -8.024 254 H GLY 32 HN GLY 32 -17.923 1.170 -5.112 255 HA2 GLY 32 2HA GLY 32 -19.217 -1.200 -3.976 256 HA3 GLY 32 1HA GLY 32 -17.846 -0.515 -3.105 257 H GLY 33 HN GLY 33 -19.570 -0.396 -1.420 258 HA2 GLY 33 2HA GLY 33 -21.073 2.135 -1.703 259 HA3 GLY 33 1HA GLY 33 -21.677 0.756 -0.795 260 H ASP 34 HN ASP 34 -19.258 0.054 0.503 261 HA ASP 34 HA ASP 34 -18.956 2.354 2.320 262 HB2 ASP 34 2HB ASP 34 -20.077 0.393 3.332 263 HB3 ASP 34 1HB ASP 34 -18.666 -0.592 2.953 264 H CYS 35 HN CYS 35 -16.840 2.413 3.494 265 HA CYS 35 HA CYS 35 -14.661 1.514 1.725 266 HG CYS 35 HG CYS 35 -16.212 4.920 3.733 267 HB2 CYS 35 2HB CYS 35 -13.413 3.525 2.417 268 HB3 CYS 35 1HB CYS 35 -14.924 3.934 1.611 269 H GLU 36 HN GLU 36 -12.826 0.669 2.637 270 HA GLU 36 HA GLU 36 -12.723 0.445 5.560 271 HB2 GLU 36 2HB GLU 36 -13.359 -1.679 3.773 272 HB3 GLU 36 1HB GLU 36 -11.760 -1.992 4.432 273 HG2 GLU 36 2HG GLU 36 -13.526 -3.031 5.760 274 HG3 GLU 36 1HG GLU 36 -12.619 -1.836 6.685 275 H TRP 37 HN TRP 37 -10.517 -0.778 6.099 276 HA TRP 37 HA TRP 37 -8.446 0.781 4.741 277 HD1 TRP 37 HD1 TRP 37 -8.916 2.795 5.860 278 HE1 TRP 37 HE1 TRP 37 -10.011 4.271 7.662 279 HE3 TRP 37 HE3 TRP 37 -8.766 -0.477 9.783 280 HZ2 TRP 37 HZ2 TRP 37 -10.717 4.073 10.388 281 HZ3 TRP 37 HZ3 TRP 37 -9.672 0.244 11.954 282 HH2 TRP 37 HH2 TRP 37 -10.626 2.472 12.248 283 HB2 TRP 37 2HB TRP 37 -8.332 -0.714 7.367 284 HB3 TRP 37 1HB TRP 37 -7.091 0.352 6.725 285 H VAL 38 HN VAL 38 -6.525 -0.140 3.998 286 HA VAL 38 HA VAL 38 -6.741 -2.942 3.228 287 HB VAL 38 HB VAL 38 -4.577 -0.939 2.560 288 HG11 VAL 38 1HG1 VAL 38 -5.104 -3.756 1.685 289 HG12 VAL 38 2HG1 VAL 38 -3.608 -3.046 2.293 290 HG13 VAL 38 3HG1 VAL 38 -4.185 -2.643 0.680 291 HG21 VAL 38 3HG2 VAL 38 -7.222 -1.162 1.580 292 HG22 VAL 38 1HG2 VAL 38 -6.126 -1.697 0.307 293 HG23 VAL 38 2HG2 VAL 38 -5.931 -0.098 1.020 294 H LYS 39 HN LYS 39 -4.856 -4.389 3.503 295 HA LYS 39 HA LYS 39 -3.951 -4.237 6.200 296 HB2 LYS 39 2HB LYS 39 -4.639 -6.378 5.247 297 HB3 LYS 39 1HB LYS 39 -3.352 -6.269 4.055 298 HG2 LYS 39 2HG LYS 39 -1.682 -6.433 5.800 299 HG3 LYS 39 1HG LYS 39 -2.945 -6.450 7.033 300 HD2 LYS 39 2HD LYS 39 -2.468 -8.529 4.899 301 HD3 LYS 39 1HD LYS 39 -2.185 -8.708 6.632 302 HE2 LYS 39 2HE LYS 39 -4.834 -8.349 5.241 303 HE3 LYS 39 1HE LYS 39 -4.253 -9.792 6.070 304 HZ1 LYS 39 3HZ LYS 39 -4.849 -7.176 7.346 305 HZ2 LYS 39 1HZ LYS 39 -4.262 -8.545 8.150 306 HZ3 LYS 39 2HZ LYS 39 -5.801 -8.570 7.448 307 H GLY 40 HN GLY 40 -2.408 -2.957 6.753 308 HA2 GLY 40 2HA GLY 40 -0.164 -2.465 4.985 309 HA3 GLY 40 1HA GLY 40 -0.489 -1.642 6.503 310 H VAL 41 HN VAL 41 -0.259 -5.100 5.834 311 HA VAL 41 HA VAL 41 2.053 -5.239 7.652 312 HB VAL 41 HB VAL 41 0.334 -7.611 7.037 313 HG11 VAL 41 1HG1 VAL 41 2.453 -7.975 8.164 314 HG12 VAL 41 2HG1 VAL 41 1.107 -8.344 9.240 315 HG13 VAL 41 3HG1 VAL 41 1.996 -6.834 9.429 316 HG21 VAL 41 3HG2 VAL 41 -0.237 -5.580 9.197 317 HG22 VAL 41 1HG2 VAL 41 -1.045 -7.136 9.011 318 HG23 VAL 41 2HG2 VAL 41 -1.234 -5.891 7.776 319 H HIS 42 HN HIS 42 1.241 -5.301 4.462 320 HA HIS 42 HA HIS 42 2.651 -7.606 3.593 321 HD1 HIS 42 HD1 HIS 42 2.640 -7.453 -0.222 322 HD2 HIS 42 HD2 HIS 42 -0.259 -8.256 2.644 323 HE1 HIS 42 HE1 HIS 42 1.461 -9.527 -1.021 324 HE2 HIS 42 HE2 HIS 42 -0.298 -9.988 0.724 325 HB2 HIS 42 2HB HIS 42 1.011 -5.604 2.425 326 HB3 HIS 42 1HB HIS 42 2.525 -5.677 1.515 327 H VAL 43 HN VAL 43 4.421 -7.343 4.922 328 HA VAL 43 HA VAL 43 6.312 -5.321 4.713 329 HB VAL 43 HB VAL 43 6.340 -6.850 6.560 330 HG11 VAL 43 1HG1 VAL 43 7.271 -8.995 4.666 331 HG12 VAL 43 2HG1 VAL 43 5.614 -8.841 5.247 332 HG13 VAL 43 3HG1 VAL 43 6.920 -9.158 6.386 333 HG21 VAL 43 3HG2 VAL 43 8.893 -7.266 5.021 334 HG22 VAL 43 1HG2 VAL 43 8.682 -7.208 6.770 335 HG23 VAL 43 2HG2 VAL 43 8.464 -5.747 5.806 336 H ALA 44 HN ALA 44 6.165 -5.049 2.361 337 HA ALA 44 HA ALA 44 7.927 -6.811 0.867 338 HB1 ALA 44 3HB ALA 44 7.348 -5.402 -1.062 339 HB2 ALA 44 1HB ALA 44 6.440 -4.326 -0.001 340 HB3 ALA 44 2HB ALA 44 5.902 -5.988 -0.241 341 H GLU 45 HN GLU 45 9.307 -5.875 2.868 342 HA GLU 45 HA GLU 45 10.473 -3.399 2.896 343 HB2 GLU 45 2HB GLU 45 10.910 -5.078 4.608 344 HB3 GLU 45 1HB GLU 45 11.795 -6.062 3.449 345 HG2 GLU 45 2HG GLU 45 13.474 -4.296 3.238 346 HG3 GLU 45 1HG GLU 45 12.589 -3.322 4.411 347 H ASP 46 HN ASP 46 10.934 -5.958 0.627 348 HA ASP 46 HA ASP 46 13.382 -5.032 -0.497 349 HB2 ASP 46 2HB ASP 46 12.552 -7.320 -0.845 350 HB3 ASP 46 1HB ASP 46 11.187 -6.685 -1.753 351 H VAL 47 HN VAL 47 9.979 -4.437 -1.200 352 HA VAL 47 HA VAL 47 10.425 -2.869 -3.518 353 HB VAL 47 HB VAL 47 8.104 -2.795 -1.578 354 HG11 VAL 47 1HG1 VAL 47 8.278 -0.782 -3.005 355 HG12 VAL 47 2HG1 VAL 47 6.844 -1.747 -3.359 356 HG13 VAL 47 3HG1 VAL 47 8.244 -1.821 -4.429 357 HG21 VAL 47 3HG2 VAL 47 8.487 -5.008 -2.577 358 HG22 VAL 47 1HG2 VAL 47 8.399 -4.286 -4.183 359 HG23 VAL 47 2HG2 VAL 47 6.981 -4.279 -3.135 360 H ALA 48 HN ALA 48 9.938 -2.092 -0.171 361 HA ALA 48 HA ALA 48 10.097 0.701 -0.213 362 HB1 ALA 48 3HB ALA 48 10.290 0.524 2.201 363 HB2 ALA 48 1HB ALA 48 10.580 -1.210 2.058 364 HB3 ALA 48 2HB ALA 48 9.020 -0.535 1.587 365 H LYS 49 HN LYS 49 12.451 -1.766 0.871 366 HA LYS 49 HA LYS 49 14.542 0.055 1.360 367 HB2 LYS 49 2HB LYS 49 14.544 -2.902 0.750 368 HB3 LYS 49 1HB LYS 49 16.019 -2.010 1.091 369 HG2 LYS 49 2HG LYS 49 13.663 -2.281 2.947 370 HG3 LYS 49 1HG LYS 49 15.189 -3.159 3.072 371 HD2 LYS 49 2HD LYS 49 16.365 -0.991 3.311 372 HD3 LYS 49 1HD LYS 49 14.799 -0.174 3.299 373 HE2 LYS 49 2HE LYS 49 14.141 -1.436 5.300 374 HE3 LYS 49 1HE LYS 49 15.719 -2.223 5.314 375 HZ1 LYS 49 3HZ LYS 49 16.746 -0.041 5.603 376 HZ2 LYS 49 1HZ LYS 49 15.671 -0.389 6.863 377 HZ3 LYS 49 2HZ LYS 49 15.219 0.686 5.638 378 H ASP 50 HN ASP 50 13.406 -1.553 -1.492 379 HA ASP 50 HA ASP 50 15.643 -0.590 -3.087 380 HB2 ASP 50 2HB ASP 50 14.541 -2.916 -3.318 381 HB3 ASP 50 1HB ASP 50 13.238 -2.061 -4.142 382 H TYR 51 HN TYR 51 12.596 0.481 -2.074 383 HA TYR 51 HA TYR 51 11.966 1.941 -4.421 384 HD1 TYR 51 HD1 TYR 51 10.987 0.425 -4.974 385 HD2 TYR 51 HD2 TYR 51 7.919 2.339 -2.725 386 HE1 TYR 51 HE1 TYR 51 9.295 -0.519 -6.481 387 HE2 TYR 51 HE2 TYR 51 6.224 1.398 -4.227 388 HH TYR 51 HH TYR 51 6.898 -1.073 -6.443 389 HB2 TYR 51 2HB TYR 51 10.642 1.438 -1.904 390 HB3 TYR 51 1HB TYR 51 10.345 3.035 -2.551 391 H GLU 52 HN GLU 52 12.503 2.870 -1.059 392 HA GLU 52 HA GLU 52 13.247 5.558 -1.842 393 HB2 GLU 52 2HB GLU 52 13.163 6.107 0.483 394 HB3 GLU 52 1HB GLU 52 11.774 5.084 0.136 395 HG2 GLU 52 2HG GLU 52 12.979 3.157 1.059 396 HG3 GLU 52 1HG GLU 52 14.346 4.206 1.433 397 H ASP 53 HN ASP 53 14.682 2.796 -0.172 398 HA ASP 53 HA ASP 53 17.270 4.052 0.008 399 HB2 ASP 53 2HB ASP 53 16.047 1.487 0.899 400 HB3 ASP 53 1HB ASP 53 17.803 1.545 0.735 401 H GLY 54 HN GLY 54 15.609 2.058 -2.255 402 HA2 GLY 54 2HA GLY 54 17.889 0.839 -3.455 403 HA3 GLY 54 1HA GLY 54 16.291 0.974 -4.171 404 H LEU 55 HN LEU 55 16.026 3.762 -4.174 405 HA LEU 55 HA LEU 55 17.569 4.403 -6.503 406 HG LEU 55 HG LEU 55 17.103 7.538 -6.183 407 HB2 LEU 55 2HB LEU 55 15.266 5.143 -6.318 408 HB3 LEU 55 1HB LEU 55 15.640 6.045 -4.861 409 HD11 LEU 55 1HD1 LEU 55 16.996 7.463 -8.626 410 HD12 LEU 55 2HD1 LEU 55 16.044 5.981 -8.538 411 HD13 LEU 55 3HD1 LEU 55 17.710 5.993 -7.961 412 HD21 LEU 55 3HD2 LEU 55 15.308 8.719 -7.349 413 HD22 LEU 55 1HD2 LEU 55 14.781 8.152 -5.764 414 HD23 LEU 55 2HD2 LEU 55 14.281 7.290 -7.220 415 H GLU 56 HN GLU 56 17.187 6.128 -3.402 416 HA GLU 56 HA GLU 56 19.741 7.439 -3.811 417 HB2 GLU 56 2HB GLU 56 17.723 7.698 -1.592 418 HB3 GLU 56 1HB GLU 56 19.172 8.677 -1.749 419 HG2 GLU 56 2HG GLU 56 18.342 9.565 -3.867 420 HG3 GLU 56 1HG GLU 56 16.886 8.584 -3.706 421 H TYR 57 HN TYR 57 20.538 5.042 -3.684 422 HA TYR 57 HA TYR 57 20.927 4.068 -0.990 423 HD1 TYR 57 HD1 TYR 57 20.966 1.065 -0.768 424 HD2 TYR 57 HD2 TYR 57 24.230 2.575 -3.041 425 HE1 TYR 57 HE1 TYR 57 22.473 -0.521 0.355 426 HE2 TYR 57 HE2 TYR 57 25.747 0.994 -1.925 427 HH TYR 57 HH TYR 57 24.632 -1.610 -0.052 428 HB2 TYR 57 2HB TYR 57 20.591 2.437 -2.748 429 HB3 TYR 57 1HB TYR 57 21.947 3.088 -3.662 430 HA ALA 1 HA ALA 1 -11.436 -8.555 2.253 431 H1 ALA 1 1H ALA 1 -13.202 -9.905 2.394 432 H2 ALA 1 2H ALA 1 -13.065 -10.478 0.811 433 H3 ALA 1 3H ALA 1 -13.757 -8.962 1.102 434 HB1 ALA 1 3HB ALA 1 -9.650 -9.579 0.949 435 HB2 ALA 1 1HB ALA 1 -10.837 -10.511 0.041 436 HB3 ALA 1 2HB ALA 1 -10.625 -10.798 1.767 437 HA PRO 2 HA PRO 2 -11.290 -7.122 -2.553 438 HB2 PRO 2 1HB PRO 2 -13.045 -7.444 -4.011 439 HB3 PRO 2 2HB PRO 2 -14.267 -7.284 -2.746 440 HG2 PRO 2 2HG PRO 2 -14.249 -9.597 -2.992 441 HG3 PRO 2 1HG PRO 2 -12.533 -9.624 -3.436 442 HD2 PRO 2 2HD PRO 2 -13.790 -9.555 -0.749 443 HD3 PRO 2 1HD PRO 2 -12.236 -10.243 -1.255 444 HA PRO 3 HA PRO 3 -14.179 -3.607 -0.982 445 HB2 PRO 3 1HB PRO 3 -16.197 -3.969 -0.025 446 HB3 PRO 3 2HB PRO 3 -15.433 -4.486 1.479 447 HG2 PRO 3 2HG PRO 3 -16.280 -6.534 0.893 448 HG3 PRO 3 1HG PRO 3 -16.363 -6.109 -0.826 449 HD2 PRO 3 2HD PRO 3 -14.022 -7.074 0.779 450 HD3 PRO 3 1HD PRO 3 -14.527 -7.534 -0.862 451 H GLY 4 HN GLY 4 -12.692 -2.210 -0.253 452 HA2 GLY 4 2HA GLY 4 -11.767 -0.988 1.581 453 HA3 GLY 4 1HA GLY 4 -11.833 -2.454 2.542 454 H THR 5 HN THR 5 -10.634 -2.973 -0.600 455 HA THR 5 HA THR 5 -7.879 -2.466 0.100 456 HB THR 5 HB THR 5 -8.815 -5.299 -0.372 457 HG1 THR 5 HG1 THR 5 -9.160 -4.704 1.762 458 HG21 THR 5 3HG2 THR 5 -6.035 -4.190 0.043 459 HG22 THR 5 1HG2 THR 5 -6.663 -4.912 -1.437 460 HG23 THR 5 2HG2 THR 5 -6.451 -5.903 0.006 461 H ALA 6 HN ALA 6 -6.388 -2.737 -1.639 462 HA ALA 6 HA ALA 6 -7.185 -3.566 -4.228 463 HB1 ALA 6 3HB ALA 6 -8.294 -1.199 -3.714 464 HB2 ALA 6 1HB ALA 6 -7.725 -1.658 -5.320 465 HB3 ALA 6 2HB ALA 6 -6.715 -0.654 -4.283 466 H ARG 7 HN ARG 7 -4.980 -4.233 -2.742 467 HA ARG 7 HA ARG 7 -2.654 -2.792 -2.964 468 HE ARG 7 HE ARG 7 -4.219 -8.505 -3.672 469 HB2 ARG 7 2HB ARG 7 -1.482 -5.008 -3.096 470 HB3 ARG 7 1HB ARG 7 -2.658 -4.882 -1.794 471 HG2 ARG 7 2HG ARG 7 -4.296 -6.067 -3.246 472 HG3 ARG 7 1HG ARG 7 -2.997 -6.316 -4.416 473 HD2 ARG 7 2HD ARG 7 -1.722 -7.566 -2.779 474 HD3 ARG 7 1HD ARG 7 -2.944 -7.248 -1.548 475 HH11 ARG 7 1HH1 ARG 7 -1.739 -9.222 -1.337 476 HH12 ARG 7 2HH1 ARG 7 -2.076 -10.920 -1.306 477 HH21 ARG 7 2HH2 ARG 7 -3.746 -11.784 -2.615 478 HH22 ARG 7 1HH2 ARG 7 -4.676 -10.740 -3.638 479 H ARG 8 HN ARG 8 -1.284 -2.169 -4.597 480 HA ARG 8 HA ARG 8 -1.768 -3.391 -7.233 481 HE ARG 8 HE ARG 8 -3.620 1.129 -7.346 482 HB2 ARG 8 2HB ARG 8 -1.645 -1.194 -8.311 483 HB3 ARG 8 1HB ARG 8 -3.004 -1.308 -7.202 484 HG2 ARG 8 2HG ARG 8 -2.073 0.154 -5.693 485 HG3 ARG 8 1HG ARG 8 -0.426 -0.162 -6.243 486 HD2 ARG 8 2HD ARG 8 -1.141 2.051 -6.932 487 HD3 ARG 8 1HD ARG 8 -0.907 1.009 -8.335 488 HH11 ARG 8 1HH1 ARG 8 -1.266 2.493 -9.528 489 HH12 ARG 8 2HH1 ARG 8 -2.455 3.160 -10.595 490 HH21 ARG 8 2HH2 ARG 8 -4.683 2.888 -10.149 491 HH22 ARG 8 1HH2 ARG 8 -5.188 2.008 -8.745 492 H LYS 9 HN LYS 9 0.318 -4.386 -6.082 493 HA LYS 9 HA LYS 9 2.521 -3.219 -7.544 494 HB2 LYS 9 2HB LYS 9 2.543 -3.634 -4.557 495 HB3 LYS 9 1HB LYS 9 4.026 -3.622 -5.496 496 HG2 LYS 9 2HG LYS 9 2.169 -1.337 -5.829 497 HG3 LYS 9 1HG LYS 9 3.079 -1.455 -4.325 498 HD2 LYS 9 2HD LYS 9 4.251 -0.095 -5.993 499 HD3 LYS 9 1HD LYS 9 5.166 -1.542 -5.571 500 HE2 LYS 9 2HE LYS 9 5.241 -1.167 -7.964 501 HE3 LYS 9 1HE LYS 9 4.343 -2.638 -7.609 502 HZ1 LYS 9 3HZ LYS 9 2.281 -1.309 -7.834 503 HZ2 LYS 9 1HZ LYS 9 3.175 -1.405 -9.267 504 HZ3 LYS 9 2HZ LYS 9 3.215 0.008 -8.340 505 H ARG 10 HN ARG 10 4.549 -4.825 -7.050 506 HA ARG 10 HA ARG 10 3.797 -7.321 -8.124 507 HE ARG 10 HE ARG 10 8.347 -5.729 -8.396 508 HB2 ARG 10 2HB ARG 10 6.186 -7.939 -7.450 509 HB3 ARG 10 1HB ARG 10 6.000 -6.579 -8.555 510 HG2 ARG 10 2HG ARG 10 6.558 -5.026 -6.960 511 HG3 ARG 10 1HG ARG 10 6.101 -6.082 -5.620 512 HD2 ARG 10 2HD ARG 10 8.497 -5.904 -5.663 513 HD3 ARG 10 1HD ARG 10 8.061 -7.525 -6.206 514 HH11 ARG 10 1HH1 ARG 10 10.146 -7.654 -6.120 515 HH12 ARG 10 2HH1 ARG 10 11.526 -7.818 -7.153 516 HH21 ARG 10 2HH2 ARG 10 11.533 -6.839 -9.225 517 HH22 ARG 10 1HH2 ARG 10 10.156 -5.934 -9.763 518 H LYS 11 HN LYS 11 4.176 -6.112 -4.895 519 HA LYS 11 HA LYS 11 3.603 -6.961 -2.872 520 HB2 LYS 11 2HB LYS 11 2.709 -9.466 -4.295 521 HB3 LYS 11 1HB LYS 11 2.236 -8.914 -2.693 522 HG2 LYS 11 2HG LYS 11 0.736 -7.412 -3.497 523 HG3 LYS 11 1HG LYS 11 1.648 -7.129 -4.984 524 HD2 LYS 11 2HD LYS 11 0.944 -9.255 -5.871 525 HD3 LYS 11 1HD LYS 11 0.132 -9.657 -4.357 526 HE2 LYS 11 2HE LYS 11 -1.490 -8.924 -6.002 527 HE3 LYS 11 1HE LYS 11 -1.390 -7.755 -4.687 528 HZ1 LYS 11 3HZ LYS 11 0.013 -6.365 -6.068 529 HZ2 LYS 11 1HZ LYS 11 -1.455 -6.674 -6.850 530 HZ3 LYS 11 2HZ LYS 11 -0.053 -7.492 -7.326 531 H ALA 12 HN ALA 12 6.160 -7.078 -3.666 532 HA ALA 12 HA ALA 12 7.689 -9.240 -3.887 533 HB1 ALA 12 3HB ALA 12 8.554 -6.970 -3.560 534 HB2 ALA 12 1HB ALA 12 9.415 -8.157 -2.578 535 HB3 ALA 12 2HB ALA 12 8.214 -7.100 -1.835 536 H ASP 13 HN ASP 13 5.884 -8.446 -0.986 537 HA ASP 13 HA ASP 13 6.817 -10.966 0.224 538 HB2 ASP 13 2HB ASP 13 7.457 -8.993 1.538 539 HB3 ASP 13 1HB ASP 13 5.771 -8.487 1.609 540 H SER 14 HN SER 14 5.149 -12.005 -1.095 541 HA SER 14 HA SER 14 2.383 -11.429 -0.545 542 HG SER 14 HG SER 14 4.594 -13.712 -2.627 543 HB2 SER 14 2HB SER 14 1.929 -13.391 -1.976 544 HB3 SER 14 1HB SER 14 3.048 -12.269 -2.749 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 8.271 2.199 -5.677 2 H2 GLY 1 2H GLY 1 8.101 1.324 -7.113 3 H3 GLY 1 3H GLY 1 8.144 3.013 -7.153 4 HA2 GLY 1 1HA GLY 1 10.394 1.275 -6.292 5 HA3 GLY 1 2HA GLY 1 10.247 2.008 -7.882 6 H SER 2 HN SER 2 9.385 3.517 -4.802 7 HA SER 2 HA SER 2 11.720 4.928 -4.304 8 HG SER 2 HG SER 2 10.667 8.199 -5.429 9 HB2 SER 2 2HB SER 2 11.489 5.976 -6.465 10 HB3 SER 2 1HB SER 2 9.815 6.407 -6.126 11 H GLN 3 HN GLN 3 8.212 4.956 -4.292 12 HA GLN 3 HA GLN 3 8.116 6.641 -1.947 13 HB2 GLN 3 2HB GLN 3 5.779 6.677 -2.275 14 HB3 GLN 3 1HB GLN 3 6.472 6.666 -3.893 15 HG2 GLN 3 2HG GLN 3 6.091 4.207 -3.967 16 HG3 GLN 3 1HG GLN 3 5.224 4.350 -2.439 17 HE21 GLN 3 2HE2 GLN 3 3.516 5.471 -5.943 18 HE22 GLN 3 1HE2 GLN 3 5.184 5.035 -5.839 19 H VAL 4 HN VAL 4 7.686 5.970 0.102 20 HA VAL 4 HA VAL 4 7.895 3.100 0.591 21 HB VAL 4 HB VAL 4 7.845 4.906 2.916 22 HG11 VAL 4 1HG1 VAL 4 8.399 2.729 3.434 23 HG12 VAL 4 2HG1 VAL 4 9.977 3.507 3.352 24 HG13 VAL 4 3HG1 VAL 4 9.401 2.533 1.999 25 HG21 VAL 4 3HG2 VAL 4 10.131 5.044 0.955 26 HG22 VAL 4 1HG2 VAL 4 10.178 5.662 2.606 27 HG23 VAL 4 2HG2 VAL 4 9.069 6.370 1.433 28 H PHE 5 HN PHE 5 5.500 3.808 -0.448 29 HA PHE 5 HA PHE 5 3.674 2.767 1.395 30 1HB PHE 5 2HB PHE 5 2.250 4.955 1.518 31 2HB PHE 5 1HB PHE 5 3.596 4.739 2.628 32 HD1 PHE 5 HD1 PHE 5 3.992 4.564 2.527 33 HD2 PHE 5 HD2 PHE 5 4.104 7.900 -0.112 34 HE1 PHE 5 HE1 PHE 5 5.942 5.454 3.739 35 HE2 PHE 5 HE2 PHE 5 6.053 8.795 1.093 36 HZ PHE 5 HZ PHE 5 5.447 9.506 -0.076 37 H GLU 6 HN GLU 6 2.380 1.692 0.039 38 HA GLU 6 HA GLU 6 1.694 2.918 -2.552 39 HB2 GLU 6 2HB GLU 6 2.988 0.864 -2.760 40 HB3 GLU 6 1HB GLU 6 1.819 0.001 -1.771 41 HG2 GLU 6 2HG GLU 6 1.524 -0.504 -4.124 42 HG3 GLU 6 1HG GLU 6 0.115 0.336 -3.477 43 H TYR 7 HN TYR 7 -0.394 3.311 -3.043 44 HA TYR 7 HA TYR 7 -2.392 2.761 -1.026 45 HD1 TYR 7 HD1 TYR 7 -4.449 3.825 -4.610 46 HD2 TYR 7 HD2 TYR 7 -0.536 5.259 -3.756 47 HE1 TYR 7 HE1 TYR 7 -4.108 4.294 -6.998 48 HE2 TYR 7 HE2 TYR 7 -0.183 5.733 -6.143 49 HH TYR 7 HH TYR 7 -2.705 5.748 -8.405 50 HB2 TYR 7 2HB TYR 7 -3.789 4.271 -2.357 51 HB3 TYR 7 1HB TYR 7 -2.242 5.001 -1.981 52 H ALA 8 HN ALA 8 -3.349 0.802 -1.090 53 HA ALA 8 HA ALA 8 -3.926 -0.420 -3.689 54 HB1 ALA 8 3HB ALA 8 -4.751 -1.657 -1.101 55 HB2 ALA 8 1HB ALA 8 -3.040 -1.628 -1.530 56 HB3 ALA 8 2HB ALA 8 -4.203 -2.427 -2.588 57 H GLU 9 HN GLU 9 -5.309 1.742 -3.719 58 HA GLU 9 HA GLU 9 -7.984 1.232 -2.648 59 HB2 GLU 9 2HB GLU 9 -7.691 3.264 -1.811 60 HB3 GLU 9 1HB GLU 9 -6.238 3.507 -2.755 61 HG2 GLU 9 2HG GLU 9 -9.024 4.012 -3.735 62 HG3 GLU 9 1HG GLU 9 -7.945 5.232 -3.086 63 H VAL 10 HN VAL 10 -9.778 1.627 -3.777 64 HA VAL 10 HA VAL 10 -9.539 1.044 -6.567 65 HB VAL 10 HB VAL 10 -11.923 1.162 -4.802 66 HG11 VAL 10 1HG1 VAL 10 -12.085 1.475 -7.439 67 HG12 VAL 10 2HG1 VAL 10 -13.273 0.536 -6.538 68 HG13 VAL 10 3HG1 VAL 10 -11.964 -0.282 -7.391 69 HG21 VAL 10 3HG2 VAL 10 -11.838 -1.307 -4.990 70 HG22 VAL 10 1HG2 VAL 10 -10.447 -0.610 -4.157 71 HG23 VAL 10 2HG2 VAL 10 -10.298 -1.145 -5.833 72 H ASP 11 HN ASP 11 -10.692 3.553 -4.459 73 HA ASP 11 HA ASP 11 -10.710 5.397 -6.733 74 1HB ASP 11 1HB ASP 11 -12.903 5.357 -4.659 75 2HB ASP 11 2HB ASP 11 -13.054 4.639 -6.257 76 H GLU 12 HN GLU 12 -10.606 4.959 -3.219 77 HA GLU 12 HA GLU 12 -8.944 7.305 -2.971 78 HB2 GLU 12 2HB GLU 12 -11.715 7.272 -1.788 79 HB3 GLU 12 1HB GLU 12 -10.441 8.321 -1.187 80 HG2 GLU 12 2HG GLU 12 -10.254 9.347 -3.406 81 HG3 GLU 12 1HG GLU 12 -11.562 8.313 -3.979 82 H ILE 13 HN ILE 13 -8.045 7.606 -0.852 83 HA ILE 13 HA ILE 13 -8.199 5.208 0.859 84 HB ILE 13 HB ILE 13 -5.782 5.295 1.258 85 HG12 ILE 13 2HG1 ILE 13 -5.659 7.839 0.955 86 HG13 ILE 13 1HG1 ILE 13 -4.334 6.925 0.247 87 HG21 ILE 13 1HG2 ILE 13 -6.868 5.094 -1.465 88 HG22 ILE 13 2HG2 ILE 13 -5.955 3.912 -0.522 89 HG23 ILE 13 3HG2 ILE 13 -5.120 5.223 -1.347 90 HD11 ILE 13 3HD1 ILE 13 -6.081 8.762 -1.009 91 HD12 ILE 13 1HD1 ILE 13 -6.363 7.167 -1.715 92 HD13 ILE 13 2HD1 ILE 13 -4.738 7.860 -1.711 93 H VAL 14 HN VAL 14 -6.543 6.056 2.887 94 HA VAL 14 HA VAL 14 -7.254 8.751 3.673 95 HB VAL 14 HB VAL 14 -8.216 6.358 5.252 96 HG11 VAL 14 1HG1 VAL 14 -9.012 7.959 6.922 97 HG12 VAL 14 2HG1 VAL 14 -8.264 9.278 6.022 98 HG13 VAL 14 3HG1 VAL 14 -7.258 8.031 6.759 99 HG21 VAL 14 3HG2 VAL 14 -9.694 6.991 3.430 100 HG22 VAL 14 1HG2 VAL 14 -9.687 8.667 3.982 101 HG23 VAL 14 2HG2 VAL 14 -10.423 7.413 4.981 102 H GLU 15 HN GLU 15 -5.851 5.664 4.657 103 HA GLU 15 HA GLU 15 -3.808 7.085 6.206 104 HB2 GLU 15 2HB GLU 15 -4.413 4.125 6.035 105 HB3 GLU 15 1HB GLU 15 -3.230 4.869 7.102 106 HG2 GLU 15 2HG GLU 15 -4.990 6.042 8.281 107 HG3 GLU 15 1HG GLU 15 -6.195 5.384 7.175 108 H LYS 16 HN LYS 16 -1.612 6.896 5.730 109 HA LYS 16 HA LYS 16 -0.780 5.211 3.528 110 HB2 LYS 16 2HB LYS 16 0.261 7.179 2.318 111 HB3 LYS 16 1HB LYS 16 -1.492 7.071 2.238 112 HG2 LYS 16 2HG LYS 16 -1.638 8.736 4.060 113 HG3 LYS 16 1HG LYS 16 0.118 8.899 4.001 114 HD2 LYS 16 2HD LYS 16 -0.003 9.659 1.699 115 HD3 LYS 16 1HD LYS 16 -1.751 9.417 1.690 116 HE2 LYS 16 2HE LYS 16 -1.968 11.099 3.475 117 HE3 LYS 16 1HE LYS 16 -0.226 11.364 3.417 118 HZ1 LYS 16 3HZ LYS 16 -1.435 13.031 2.146 119 HZ2 LYS 16 1HZ LYS 16 -2.112 11.825 1.169 120 HZ3 LYS 16 2HZ LYS 16 -0.444 12.106 1.134 121 H ARG 17 HN ARG 17 0.584 4.267 5.222 122 HA ARG 17 HA ARG 17 3.091 5.689 5.513 123 HE ARG 17 HE ARG 17 5.275 5.734 10.089 124 HB2 ARG 17 2HB ARG 17 1.885 6.591 7.416 125 HB3 ARG 17 1HB ARG 17 1.444 4.974 7.944 126 HG2 ARG 17 2HG ARG 17 3.823 4.471 8.318 127 HG3 ARG 17 1HG ARG 17 4.224 6.127 7.855 128 HD2 ARG 17 2HD ARG 17 2.871 6.974 9.705 129 HD3 ARG 17 1HD ARG 17 2.454 5.323 10.162 130 HH11 ARG 17 1HH1 ARG 17 2.416 6.232 12.012 131 HH12 ARG 17 2HH1 ARG 17 3.274 6.258 13.516 132 HH21 ARG 17 2HH2 ARG 17 5.550 5.993 13.545 133 HH22 ARG 17 1HH2 ARG 17 6.416 5.766 12.062 134 H GLY 18 HN GLY 18 3.924 3.870 4.305 135 HA2 GLY 18 2HA GLY 18 4.426 1.590 6.048 136 HA3 GLY 18 1HA GLY 18 3.534 1.254 4.584 137 H LYS 19 HN LYS 19 4.800 0.166 3.346 138 HA LYS 19 HA LYS 19 7.475 1.184 2.749 139 HB2 LYS 19 2HB LYS 19 6.417 -1.560 3.203 140 HB3 LYS 19 1HB LYS 19 7.943 -1.313 2.354 141 HG2 LYS 19 2HG LYS 19 9.034 -0.585 4.220 142 HG3 LYS 19 1HG LYS 19 7.560 0.023 4.977 143 HD2 LYS 19 2HD LYS 19 6.860 -2.183 5.534 144 HD3 LYS 19 1HD LYS 19 8.165 -2.899 4.588 145 HE2 LYS 19 2HE LYS 19 9.789 -1.821 6.118 146 HE3 LYS 19 1HE LYS 19 8.438 -1.234 7.087 147 HZ1 LYS 19 3HZ LYS 19 9.361 -3.247 8.026 148 HZ2 LYS 19 1HZ LYS 19 9.105 -4.081 6.577 149 HZ3 LYS 19 2HZ LYS 19 7.785 -3.535 7.483 150 H GLY 20 HN GLY 20 6.867 -1.508 0.866 151 HA2 GLY 20 2HA GLY 20 6.149 0.166 -1.396 152 HA3 GLY 20 1HA GLY 20 6.770 -1.481 -1.457 153 H LYS 21 HN LYS 21 5.256 -2.660 0.364 154 HA LYS 21 HA LYS 21 2.470 -2.369 -0.497 155 HB2 LYS 21 2HB LYS 21 3.997 -4.971 -0.334 156 HB3 LYS 21 1HB LYS 21 2.286 -4.811 -0.710 157 HG2 LYS 21 2HG LYS 21 2.745 -3.763 -2.778 158 HG3 LYS 21 1HG LYS 21 4.443 -3.532 -2.361 159 HD2 LYS 21 2HD LYS 21 4.718 -5.998 -2.331 160 HD3 LYS 21 1HD LYS 21 3.047 -6.156 -2.881 161 HE2 LYS 21 2HE LYS 21 4.599 -6.333 -4.752 162 HE3 LYS 21 1HE LYS 21 3.593 -4.891 -4.900 163 HZ1 LYS 21 3HZ LYS 21 5.895 -4.410 -5.425 164 HZ2 LYS 21 1HZ LYS 21 6.389 -4.955 -3.901 165 HZ3 LYS 21 2HZ LYS 21 5.425 -3.573 -4.035 166 H ASP 22 HN ASP 22 4.544 -2.351 2.071 167 HA ASP 22 HA ASP 22 2.953 -3.864 3.900 168 HB2 ASP 22 2HB ASP 22 5.503 -3.706 3.972 169 HB3 ASP 22 1HB ASP 22 5.249 -2.082 4.590 170 H VAL 23 HN VAL 23 2.426 -1.070 2.561 171 HA VAL 23 HA VAL 23 1.833 0.475 4.903 172 HB VAL 23 HB VAL 23 2.687 1.425 2.738 173 HG11 VAL 23 1HG1 VAL 23 -0.132 0.781 1.894 174 HG12 VAL 23 2HG1 VAL 23 1.377 0.346 1.098 175 HG13 VAL 23 3HG1 VAL 23 0.836 2.020 1.108 176 HG21 VAL 23 3HG2 VAL 23 1.318 2.538 4.701 177 HG22 VAL 23 1HG2 VAL 23 0.168 2.825 3.406 178 HG23 VAL 23 2HG2 VAL 23 1.810 3.449 3.274 179 H GLU 24 HN GLU 24 -0.205 1.116 5.521 180 HA GLU 24 HA GLU 24 -2.333 -0.682 4.586 181 HB2 GLU 24 2HB GLU 24 -3.406 -0.013 6.848 182 HB3 GLU 24 1HB GLU 24 -2.140 -1.226 6.818 183 HG2 GLU 24 2HG GLU 24 -0.504 0.477 7.478 184 HG3 GLU 24 1HG GLU 24 -1.791 1.681 7.522 185 H TYR 25 HN TYR 25 -3.086 0.675 2.969 186 HA TYR 25 HA TYR 25 -3.838 3.389 3.580 187 HD1 TYR 25 HD1 TYR 25 -3.889 5.071 0.303 188 HD2 TYR 25 HD2 TYR 25 -1.203 2.360 2.137 189 HE1 TYR 25 HE1 TYR 25 -2.026 6.604 -0.169 190 HE2 TYR 25 HE2 TYR 25 0.673 3.872 1.673 191 HH TYR 25 HH TYR 25 1.290 5.685 0.344 192 HB2 TYR 25 2HB TYR 25 -3.578 1.710 1.128 193 HB3 TYR 25 1HB TYR 25 -4.701 3.056 1.061 194 H LEU 26 HN LEU 26 -6.095 3.716 2.110 195 HA LEU 26 HA LEU 26 -8.075 1.846 3.186 196 HG LEU 26 HG LEU 26 -10.461 3.038 3.037 197 HB2 LEU 26 2HB LEU 26 -8.381 3.802 4.500 198 HB3 LEU 26 1HB LEU 26 -8.115 4.854 3.126 199 HD11 LEU 26 1HD1 LEU 26 -10.184 5.358 4.873 200 HD12 LEU 26 2HD1 LEU 26 -10.921 3.784 5.157 201 HD13 LEU 26 3HD1 LEU 26 -11.744 4.973 4.149 202 HD21 LEU 26 3HD2 LEU 26 -11.427 5.172 2.013 203 HD22 LEU 26 1HD2 LEU 26 -10.233 4.266 1.087 204 HD23 LEU 26 2HD2 LEU 26 -9.756 5.721 1.955 205 H VAL 27 HN VAL 27 -10.046 1.718 1.830 206 HA VAL 27 HA VAL 27 -9.589 2.844 -0.812 207 HB VAL 27 HB VAL 27 -9.609 0.972 -1.972 208 HG11 VAL 27 1HG1 VAL 27 -8.393 0.210 0.653 209 HG12 VAL 27 2HG1 VAL 27 -7.591 0.835 -0.789 210 HG13 VAL 27 3HG1 VAL 27 -8.252 -0.801 -0.784 211 HG21 VAL 27 3HG2 VAL 27 -11.687 -0.011 -1.328 212 HG22 VAL 27 1HG2 VAL 27 -11.056 -0.434 0.259 213 HG23 VAL 27 2HG2 VAL 27 -10.453 -1.261 -1.177 214 H ARG 28 HN ARG 28 -11.230 4.040 -1.305 215 HA ARG 28 HA ARG 28 -13.902 3.360 -0.382 216 HE ARG 28 HE ARG 28 -16.901 7.879 -1.978 217 HB2 ARG 28 2HB ARG 28 -12.956 5.761 -0.465 218 HB3 ARG 28 1HB ARG 28 -13.159 5.637 -2.207 219 HG2 ARG 28 2HG ARG 28 -15.533 5.330 -1.962 220 HG3 ARG 28 1HG ARG 28 -15.378 5.301 -0.205 221 HD2 ARG 28 2HD ARG 28 -14.649 7.596 -0.182 222 HD3 ARG 28 1HD ARG 28 -14.608 7.640 -1.943 223 HH11 ARG 28 1HH1 ARG 28 -15.845 7.118 1.259 224 HH12 ARG 28 2HH1 ARG 28 -17.365 7.521 1.983 225 HH21 ARG 28 2HH2 ARG 28 -19.102 8.248 0.685 226 HH22 ARG 28 1HH2 ARG 28 -18.901 8.405 -1.028 227 H TRP 29 HN TRP 29 -13.818 1.383 -1.509 228 HA TRP 29 HA TRP 29 -13.383 0.599 -3.957 229 HD1 TRP 29 HD1 TRP 29 -12.269 -0.722 -3.140 230 HE1 TRP 29 HE1 TRP 29 -11.585 -3.060 -2.310 231 HE3 TRP 29 HE3 TRP 29 -16.895 -2.555 -1.935 232 HZ2 TRP 29 HZ2 TRP 29 -12.833 -5.373 -1.281 233 HZ3 TRP 29 HZ3 TRP 29 -17.059 -4.840 -1.034 234 HH2 TRP 29 HH2 TRP 29 -15.069 -6.218 -0.716 235 HB2 TRP 29 2HB TRP 29 -15.672 0.093 -2.158 236 HB3 TRP 29 1HB TRP 29 -15.803 -0.509 -3.811 237 H LYS 30 HN LYS 30 -13.304 2.264 -5.400 238 HA LYS 30 HA LYS 30 -14.952 4.094 -6.347 239 HB2 LYS 30 2HB LYS 30 -12.921 3.240 -7.545 240 HB3 LYS 30 1HB LYS 30 -13.923 1.971 -8.232 241 HG2 LYS 30 2HG LYS 30 -15.323 3.664 -9.310 242 HG3 LYS 30 1HG LYS 30 -14.289 4.929 -8.643 243 HD2 LYS 30 2HD LYS 30 -12.384 4.044 -9.875 244 HD3 LYS 30 1HD LYS 30 -13.386 2.737 -10.509 245 HE2 LYS 30 2HE LYS 30 -13.121 4.512 -12.156 246 HE3 LYS 30 1HE LYS 30 -14.803 4.369 -11.646 247 HZ1 LYS 30 3HZ LYS 30 -14.096 6.678 -11.767 248 HZ2 LYS 30 1HZ LYS 30 -12.866 6.384 -10.643 249 HZ3 LYS 30 2HZ LYS 30 -14.487 6.255 -10.178 250 H ASP 31 HN ASP 31 -15.670 0.661 -6.655 251 HA ASP 31 HA ASP 31 -18.417 1.359 -7.457 252 HB2 ASP 31 2HB ASP 31 -16.846 -1.083 -8.317 253 HB3 ASP 31 1HB ASP 31 -18.518 -0.729 -8.748 254 H GLY 32 HN GLY 32 -17.930 1.305 -4.863 255 HA2 GLY 32 2HA GLY 32 -19.019 -1.286 -3.961 256 HA3 GLY 32 1HA GLY 32 -17.730 -0.475 -3.074 257 H GLY 33 HN GLY 33 -18.729 -0.026 -1.187 258 HA2 GLY 33 2HA GLY 33 -20.800 2.027 -1.282 259 HA3 GLY 33 1HA GLY 33 -21.221 0.524 -0.471 260 H ASP 34 HN ASP 34 -18.945 -0.107 0.880 261 HA ASP 34 HA ASP 34 -18.855 2.033 2.874 262 HB2 ASP 34 2HB ASP 34 -17.958 -0.851 3.074 263 HB3 ASP 34 1HB ASP 34 -17.997 0.309 4.398 264 H CYS 35 HN CYS 35 -16.625 1.884 4.170 265 HA CYS 35 HA CYS 35 -14.453 2.036 2.184 266 HG CYS 35 HG CYS 35 -14.792 5.969 2.424 267 HB2 CYS 35 2HB CYS 35 -14.904 3.867 4.549 268 HB3 CYS 35 1HB CYS 35 -13.515 3.924 3.469 269 H GLU 36 HN GLU 36 -13.219 0.313 2.575 270 HA GLU 36 HA GLU 36 -12.666 -0.463 5.349 271 HB2 GLU 36 2HB GLU 36 -12.248 -1.922 2.745 272 HB3 GLU 36 1HB GLU 36 -11.762 -2.551 4.308 273 HG2 GLU 36 2HG GLU 36 -13.848 -3.541 3.664 274 HG3 GLU 36 1HG GLU 36 -14.114 -2.470 5.038 275 H TRP 37 HN TRP 37 -10.306 -1.664 5.297 276 HA TRP 37 HA TRP 37 -8.432 0.431 4.417 277 HD1 TRP 37 HD1 TRP 37 -8.783 2.176 5.468 278 HE1 TRP 37 HE1 TRP 37 -9.467 3.742 7.396 279 HE3 TRP 37 HE3 TRP 37 -8.224 -1.062 9.384 280 HZ2 TRP 37 HZ2 TRP 37 -9.732 3.619 10.206 281 HZ3 TRP 37 HZ3 TRP 37 -8.711 -0.262 11.659 282 HH2 TRP 37 HH2 TRP 37 -9.450 2.031 12.059 283 HB2 TRP 37 2HB TRP 37 -8.418 -1.362 6.833 284 HB3 TRP 37 1HB TRP 37 -6.984 -0.499 6.297 285 H VAL 38 HN VAL 38 -6.357 -0.183 3.723 286 HA VAL 38 HA VAL 38 -6.309 -2.707 2.292 287 HB VAL 38 HB VAL 38 -4.415 -0.362 2.313 288 HG11 VAL 38 1HG1 VAL 38 -3.321 -1.402 0.377 289 HG12 VAL 38 2HG1 VAL 38 -4.298 -2.849 0.626 290 HG13 VAL 38 3HG1 VAL 38 -3.128 -2.349 1.848 291 HG21 VAL 38 3HG2 VAL 38 -5.251 0.046 0.058 292 HG22 VAL 38 1HG2 VAL 38 -6.538 0.117 1.261 293 HG23 VAL 38 2HG2 VAL 38 -6.365 -1.307 0.239 294 H LYS 39 HN LYS 39 -4.297 -4.035 2.356 295 HA LYS 39 HA LYS 39 -3.672 -4.576 5.100 296 HB2 LYS 39 2HB LYS 39 -4.123 -6.307 3.278 297 HB3 LYS 39 1HB LYS 39 -2.486 -5.980 2.724 298 HG2 LYS 39 2HG LYS 39 -2.484 -7.933 4.120 299 HG3 LYS 39 1HG LYS 39 -1.638 -6.624 4.950 300 HD2 LYS 39 2HD LYS 39 -3.516 -6.207 6.363 301 HD3 LYS 39 1HD LYS 39 -4.538 -7.293 5.420 302 HE2 LYS 39 2HE LYS 39 -2.119 -8.105 7.029 303 HE3 LYS 39 1HE LYS 39 -3.798 -8.322 7.521 304 HZ1 LYS 39 3HZ LYS 39 -2.976 -10.361 6.611 305 HZ2 LYS 39 1HZ LYS 39 -2.451 -9.590 5.197 306 HZ3 LYS 39 2HZ LYS 39 -4.105 -9.719 5.526 307 H GLY 40 HN GLY 40 -2.350 -3.135 5.992 308 HA2 GLY 40 2HA GLY 40 0.175 -2.519 4.644 309 HA3 GLY 40 1HA GLY 40 -0.471 -1.666 6.038 310 H VAL 41 HN VAL 41 -0.466 -5.118 5.924 311 HA VAL 41 HA VAL 41 1.630 -5.166 7.984 312 HB VAL 41 HB VAL 41 0.041 -7.598 7.352 313 HG11 VAL 41 1HG1 VAL 41 0.249 -7.937 9.781 314 HG12 VAL 41 2HG1 VAL 41 1.095 -6.394 9.906 315 HG13 VAL 41 3HG1 VAL 41 1.810 -7.721 8.989 316 HG21 VAL 41 3HG2 VAL 41 -1.728 -5.964 7.430 317 HG22 VAL 41 1HG2 VAL 41 -1.068 -5.258 8.904 318 HG23 VAL 41 2HG2 VAL 41 -1.746 -6.884 8.934 319 H HIS 42 HN HIS 42 1.272 -5.547 4.717 320 HA HIS 42 HA HIS 42 2.782 -7.940 4.340 321 HD1 HIS 42 HD1 HIS 42 1.516 -9.500 2.756 322 HD2 HIS 42 HD2 HIS 42 -0.649 -6.023 2.078 323 HE1 HIS 42 HE1 HIS 42 -0.858 -10.247 2.398 324 HE2 HIS 42 HE2 HIS 42 -2.128 -8.135 1.877 325 HB2 HIS 42 2HB HIS 42 1.990 -5.734 2.456 326 HB3 HIS 42 1HB HIS 42 2.887 -7.158 1.948 327 H VAL 43 HN VAL 43 4.400 -7.481 5.769 328 HA VAL 43 HA VAL 43 6.228 -5.405 5.610 329 HB VAL 43 HB VAL 43 6.098 -6.879 7.523 330 HG11 VAL 43 1HG1 VAL 43 5.804 -8.958 6.080 331 HG12 VAL 43 2HG1 VAL 43 6.781 -9.118 7.538 332 HG13 VAL 43 3HG1 VAL 43 7.564 -8.983 5.965 333 HG21 VAL 43 3HG2 VAL 43 8.123 -5.599 7.254 334 HG22 VAL 43 1HG2 VAL 43 8.815 -6.847 6.218 335 HG23 VAL 43 2HG2 VAL 43 8.515 -7.182 7.921 336 H ALA 44 HN ALA 44 6.263 -5.324 3.223 337 HA ALA 44 HA ALA 44 8.275 -7.054 2.037 338 HB1 ALA 44 3HB ALA 44 6.112 -6.352 0.854 339 HB2 ALA 44 1HB ALA 44 7.615 -6.232 -0.056 340 HB3 ALA 44 2HB ALA 44 6.892 -4.784 0.642 341 H GLU 45 HN GLU 45 9.367 -5.762 4.023 342 HA GLU 45 HA GLU 45 10.326 -3.210 3.844 343 HB2 GLU 45 2HB GLU 45 10.785 -4.658 5.749 344 HB3 GLU 45 1HB GLU 45 11.825 -5.672 4.758 345 HG2 GLU 45 2HG GLU 45 13.411 -3.880 4.508 346 HG3 GLU 45 1HG GLU 45 12.342 -2.771 5.366 347 H ASP 46 HN ASP 46 11.196 -5.962 1.945 348 HA ASP 46 HA ASP 46 13.613 -4.941 0.846 349 HB2 ASP 46 2HB ASP 46 11.675 -6.968 -0.287 350 HB3 ASP 46 1HB ASP 46 13.306 -6.675 -0.879 351 H VAL 47 HN VAL 47 10.251 -4.955 -0.307 352 HA VAL 47 HA VAL 47 10.666 -3.725 -2.762 353 HB VAL 47 HB VAL 47 8.282 -3.354 -0.944 354 HG11 VAL 47 1HG1 VAL 47 8.468 -3.114 -3.944 355 HG12 VAL 47 2HG1 VAL 47 8.454 -1.746 -2.830 356 HG13 VAL 47 3HG1 VAL 47 7.050 -2.810 -2.941 357 HG21 VAL 47 3HG2 VAL 47 8.669 -5.385 -3.139 358 HG22 VAL 47 1HG2 VAL 47 7.300 -5.249 -2.037 359 HG23 VAL 47 2HG2 VAL 47 8.882 -5.731 -1.424 360 H ALA 48 HN ALA 48 10.261 -2.325 0.394 361 HA ALA 48 HA ALA 48 10.254 0.425 -0.304 362 HB1 ALA 48 3HB ALA 48 10.773 0.657 2.199 363 HB2 ALA 48 1HB ALA 48 10.522 -1.088 2.263 364 HB3 ALA 48 2HB ALA 48 9.221 -0.026 1.721 365 H LYS 49 HN LYS 49 12.648 -1.577 1.437 366 HA LYS 49 HA LYS 49 14.727 0.284 1.373 367 HB2 LYS 49 2HB LYS 49 14.782 -1.734 2.776 368 HB3 LYS 49 1HB LYS 49 14.907 -2.739 1.339 369 HG2 LYS 49 2HG LYS 49 17.070 -2.504 2.378 370 HG3 LYS 49 1HG LYS 49 17.064 -1.689 0.812 371 HD2 LYS 49 2HD LYS 49 18.189 -0.317 2.471 372 HD3 LYS 49 1HD LYS 49 16.692 0.456 1.950 373 HE2 LYS 49 2HE LYS 49 16.943 0.636 4.356 374 HE3 LYS 49 1HE LYS 49 15.563 -0.386 3.954 375 HZ1 LYS 49 3HZ LYS 49 16.885 -1.335 5.740 376 HZ2 LYS 49 1HZ LYS 49 18.255 -1.357 4.748 377 HZ3 LYS 49 2HZ LYS 49 16.925 -2.334 4.376 378 H ASP 50 HN ASP 50 13.493 -1.892 -1.017 379 HA ASP 50 HA ASP 50 15.706 -1.395 -2.840 380 HB2 ASP 50 2HB ASP 50 14.533 -3.675 -2.502 381 HB3 ASP 50 1HB ASP 50 13.230 -2.986 -3.469 382 H TYR 51 HN TYR 51 12.511 -0.273 -2.152 383 HA TYR 51 HA TYR 51 11.925 0.713 -4.721 384 HD1 TYR 51 HD1 TYR 51 10.828 -0.823 -4.919 385 HD2 TYR 51 HD2 TYR 51 7.957 1.641 -2.966 386 HE1 TYR 51 HE1 TYR 51 9.024 -2.000 -6.094 387 HE2 TYR 51 HE2 TYR 51 6.147 0.467 -4.139 388 HH TYR 51 HH TYR 51 5.823 -0.859 -6.169 389 HB2 TYR 51 2HB TYR 51 10.656 0.892 -2.123 390 HB3 TYR 51 1HB TYR 51 10.391 2.290 -3.131 391 H GLU 52 HN GLU 52 12.455 2.459 -1.711 392 HA GLU 52 HA GLU 52 13.243 4.837 -3.119 393 HB2 GLU 52 2HB GLU 52 13.282 5.902 -0.948 394 HB3 GLU 52 1HB GLU 52 11.814 4.947 -1.109 395 HG2 GLU 52 2HG GLU 52 12.896 3.142 0.187 396 HG3 GLU 52 1HG GLU 52 14.294 4.190 0.417 397 H ASP 53 HN ASP 53 14.738 2.601 -0.821 398 HA ASP 53 HA ASP 53 17.288 3.891 -0.950 399 HB2 ASP 53 2HB ASP 53 16.089 1.606 0.469 400 HB3 ASP 53 1HB ASP 53 17.817 1.461 0.148 401 H GLY 54 HN GLY 54 15.820 1.064 -2.474 402 HA2 GLY 54 2HA GLY 54 18.050 -0.176 -3.531 403 HA3 GLY 54 1HA GLY 54 16.482 -0.139 -4.322 404 H LEU 55 HN LEU 55 16.264 2.580 -4.853 405 HA LEU 55 HA LEU 55 18.072 2.803 -7.099 406 HG LEU 55 HG LEU 55 16.148 2.912 -8.749 407 HB2 LEU 55 2HB LEU 55 15.702 4.403 -6.159 408 HB3 LEU 55 1HB LEU 55 16.706 4.933 -7.497 409 HD11 LEU 55 1HD1 LEU 55 14.472 2.221 -6.343 410 HD12 LEU 55 2HD1 LEU 55 15.883 1.346 -6.935 411 HD13 LEU 55 3HD1 LEU 55 14.404 1.389 -7.896 412 HD21 LEU 55 3HD2 LEU 55 13.769 3.379 -9.127 413 HD22 LEU 55 1HD2 LEU 55 14.724 4.858 -9.021 414 HD23 LEU 55 2HD2 LEU 55 13.733 4.348 -7.654 415 H GLU 56 HN GLU 56 17.131 4.940 -4.406 416 HA GLU 56 HA GLU 56 19.563 6.489 -4.772 417 HB2 GLU 56 2HB GLU 56 17.227 6.853 -2.913 418 HB3 GLU 56 1HB GLU 56 18.598 7.946 -3.003 419 HG2 GLU 56 2HG GLU 56 16.612 7.355 -5.185 420 HG3 GLU 56 1HG GLU 56 16.754 8.846 -4.254 421 H TYR 57 HN TYR 57 20.632 4.305 -4.145 422 HA TYR 57 HA TYR 57 20.748 3.864 -1.274 423 HD1 TYR 57 HD1 TYR 57 20.866 1.515 -0.190 424 HD2 TYR 57 HD2 TYR 57 24.230 1.668 -2.789 425 HE1 TYR 57 HE1 TYR 57 22.189 0.256 1.458 426 HE2 TYR 57 HE2 TYR 57 25.562 0.410 -1.150 427 HH TYR 57 HH TYR 57 24.171 -1.170 1.525 428 HB2 TYR 57 2HB TYR 57 20.712 1.918 -2.771 429 HB3 TYR 57 1HB TYR 57 22.191 2.476 -3.544 430 HA ALA 1 HA ALA 1 -10.220 -7.105 9.078 431 H1 ALA 1 1H ALA 1 -11.856 -9.481 8.411 432 H2 ALA 1 2H ALA 1 -12.149 -8.387 9.667 433 H3 ALA 1 3H ALA 1 -10.771 -9.367 9.703 434 HB1 ALA 1 3HB ALA 1 -9.907 -9.108 6.845 435 HB2 ALA 1 1HB ALA 1 -8.852 -8.940 8.249 436 HB3 ALA 1 2HB ALA 1 -8.949 -7.643 7.059 437 HA PRO 2 HA PRO 2 -13.205 -5.015 6.545 438 HB2 PRO 2 1HB PRO 2 -12.573 -3.176 7.801 439 HB3 PRO 2 2HB PRO 2 -11.940 -2.673 6.230 440 HG2 PRO 2 2HG PRO 2 -9.768 -3.297 6.764 441 HG3 PRO 2 1HG PRO 2 -10.349 -2.797 8.363 442 HD2 PRO 2 2HD PRO 2 -9.327 -5.281 7.818 443 HD3 PRO 2 1HD PRO 2 -10.488 -4.954 9.119 444 HA PRO 3 HA PRO 3 -11.434 -6.205 2.524 445 HB2 PRO 3 1HB PRO 3 -13.252 -6.998 1.395 446 HB3 PRO 3 2HB PRO 3 -14.172 -5.510 1.641 447 HG2 PRO 3 2HG PRO 3 -15.288 -6.909 3.120 448 HG3 PRO 3 1HG PRO 3 -13.828 -7.855 3.468 449 HD2 PRO 3 2HD PRO 3 -14.651 -5.177 4.525 450 HD3 PRO 3 1HD PRO 3 -13.884 -6.537 5.372 451 H GLY 4 HN GLY 4 -10.089 -4.372 2.302 452 HA2 GLY 4 2HA GLY 4 -11.211 -2.338 0.525 453 HA3 GLY 4 1HA GLY 4 -10.452 -1.774 2.009 454 H THR 5 HN THR 5 -9.934 -3.296 -1.082 455 HA THR 5 HA THR 5 -7.175 -2.426 -1.082 456 HB THR 5 HB THR 5 -6.904 -4.603 -0.056 457 HG1 THR 5 HG1 THR 5 -6.019 -3.829 1.275 458 1HG2 THR 5 1HG2 THR 5 -8.627 -5.805 -0.162 459 2HG2 THR 5 2HG2 THR 5 -7.812 -6.743 1.090 460 3HG2 THR 5 3HG2 THR 5 -7.514 -7.097 -0.612 461 H ALA 6 HN ALA 6 -6.223 -2.336 -3.145 462 HA ALA 6 HA ALA 6 -7.838 -3.189 -5.424 463 HB1 ALA 6 3HB ALA 6 -8.553 -0.893 -4.857 464 HB2 ALA 6 1HB ALA 6 -7.849 -1.034 -6.468 465 HB3 ALA 6 2HB ALA 6 -6.903 -0.351 -5.147 466 H ARG 7 HN ARG 7 -5.084 -0.920 -5.166 467 HA ARG 7 HA ARG 7 -3.761 -2.005 -7.378 468 HE ARG 7 HE ARG 7 -2.570 1.297 -8.099 469 HB2 ARG 7 2HB ARG 7 -3.318 0.259 -6.607 470 HB3 ARG 7 1HB ARG 7 -2.618 -0.359 -5.116 471 HG2 ARG 7 2HG ARG 7 -0.724 -1.176 -6.202 472 HG3 ARG 7 1HG ARG 7 -1.495 -1.116 -7.788 473 HD2 ARG 7 2HD ARG 7 -0.773 1.286 -6.112 474 HD3 ARG 7 1HD ARG 7 0.176 0.671 -7.464 475 HH11 ARG 7 1HH1 ARG 7 0.703 2.481 -7.923 476 HH12 ARG 7 2HH1 ARG 7 0.440 3.751 -9.071 477 HH21 ARG 7 2HH2 ARG 7 -1.620 4.029 -10.028 478 HH22 ARG 7 1HH2 ARG 7 -2.923 2.968 -9.609 479 H ARG 8 HN ARG 8 -1.590 -1.938 -4.630 480 HA ARG 8 HA ARG 8 -0.188 -3.555 -3.860 481 HE ARG 8 HE ARG 8 -2.304 -6.890 -1.928 482 HB2 ARG 8 2HB ARG 8 -2.925 -4.682 -3.760 483 HB3 ARG 8 1HB ARG 8 -1.610 -5.838 -3.574 484 HG2 ARG 8 2HG ARG 8 -0.803 -4.757 -1.641 485 HG3 ARG 8 1HG ARG 8 -1.800 -3.330 -1.932 486 HD2 ARG 8 2HD ARG 8 -2.682 -4.776 -0.131 487 HD3 ARG 8 1HD ARG 8 -3.807 -4.580 -1.473 488 HH11 ARG 8 1HH1 ARG 8 -4.676 -5.683 0.316 489 HH12 ARG 8 2HH1 ARG 8 -5.349 -7.244 0.646 490 HH21 ARG 8 2HH2 ARG 8 -4.503 -9.103 -0.389 491 HH22 ARG 8 1HH2 ARG 8 -3.187 -8.951 -1.504 492 H LYS 9 HN LYS 9 0.477 -6.002 -4.279 493 HA LYS 9 HA LYS 9 0.152 -6.792 -7.055 494 HB2 LYS 9 2HB LYS 9 2.944 -6.330 -6.028 495 HB3 LYS 9 1HB LYS 9 2.434 -6.660 -7.675 496 HG2 LYS 9 2HG LYS 9 1.334 -4.467 -7.762 497 HG3 LYS 9 1HG LYS 9 1.908 -4.134 -6.126 498 HD2 LYS 9 2HD LYS 9 4.231 -4.408 -6.924 499 HD3 LYS 9 1HD LYS 9 3.616 -4.642 -8.561 500 HE2 LYS 9 2HE LYS 9 4.348 -2.358 -8.290 501 HE3 LYS 9 1HE LYS 9 2.594 -2.402 -8.467 502 HZ1 LYS 9 3HZ LYS 9 2.406 -2.214 -6.048 503 HZ2 LYS 9 1HZ LYS 9 3.224 -0.892 -6.715 504 HZ3 LYS 9 2HZ LYS 9 4.088 -2.106 -5.918 505 H ARG 10 HN ARG 10 2.410 -8.526 -7.127 506 HA ARG 10 HA ARG 10 1.468 -10.888 -6.173 507 HE ARG 10 HE ARG 10 5.642 -12.291 -5.673 508 HB2 ARG 10 2HB ARG 10 3.719 -11.773 -6.353 509 HB3 ARG 10 1HB ARG 10 3.421 -10.645 -7.670 510 HG2 ARG 10 2HG ARG 10 4.709 -8.940 -6.580 511 HG3 ARG 10 1HG ARG 10 4.892 -9.940 -5.137 512 HD2 ARG 10 2HD ARG 10 5.970 -10.573 -7.885 513 HD3 ARG 10 1HD ARG 10 6.912 -9.977 -6.519 514 HH11 ARG 10 1HH1 ARG 10 7.991 -11.362 -8.069 515 HH12 ARG 10 2HH1 ARG 10 8.803 -12.892 -8.056 516 HH21 ARG 10 2HH2 ARG 10 8.072 -14.568 -6.678 517 HH22 ARG 10 1HH2 ARG 10 6.705 -14.311 -5.646 518 H LYS 11 HN LYS 11 3.090 -8.408 -4.366 519 HA LYS 11 HA LYS 11 3.162 -8.046 -2.115 520 1HB LYS 11 1HB LYS 11 2.178 -9.536 -0.523 521 2HB LYS 11 2HB LYS 11 2.165 -10.860 -1.676 522 1HG LYS 11 2HG LYS 11 0.233 -6.945 1.027 523 2HG LYS 11 1HG LYS 11 1.147 -6.132 2.301 524 1HD LYS 11 2HD LYS 11 2.359 -7.140 -0.262 525 2HD LYS 11 1HD LYS 11 1.796 -5.484 -0.025 526 1HE LYS 11 1HE LYS 11 3.911 -6.865 1.624 527 2HE LYS 11 2HE LYS 11 3.373 -5.197 1.809 528 1HZ LYS 11 1HZ LYS 11 -2.400 -11.404 -0.103 529 2HZ LYS 11 2HZ LYS 11 -1.140 -11.574 1.012 530 3HZ LYS 11 3HZ LYS 11 -1.568 -12.873 0.020 531 H ALA 12 HN ALA 12 5.286 -7.842 -1.955 532 HA ALA 12 HA ALA 12 6.993 -10.205 -1.838 533 HB1 ALA 12 3HB ALA 12 7.405 -7.805 -3.007 534 HB2 ALA 12 1HB ALA 12 8.699 -8.888 -2.493 535 HB3 ALA 12 2HB ALA 12 8.204 -7.552 -1.454 536 H ASP 13 HN ASP 13 5.408 -10.284 0.298 537 HA ASP 13 HA ASP 13 6.959 -9.123 2.512 538 HB2 ASP 13 2HB ASP 13 4.949 -9.471 3.893 539 HB3 ASP 13 1HB ASP 13 4.601 -8.459 2.495 540 H SER 14 HN SER 14 7.721 -11.491 1.037 541 HA SER 14 HA SER 14 8.474 -13.141 3.142 542 HG SER 14 HG SER 14 7.492 -15.480 3.696 543 HB2 SER 14 2HB SER 14 6.117 -13.805 3.238 544 HB3 SER 14 1HB SER 14 6.160 -14.243 1.530 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 7.970 1.341 -7.142 2 H2 GLY 1 2H GLY 1 7.910 3.031 -7.113 3 H3 GLY 1 3H GLY 1 8.285 2.174 -5.704 4 HA2 GLY 1 1HA GLY 1 10.358 1.435 -6.598 5 HA3 GLY 1 2HA GLY 1 9.953 2.137 -8.156 6 H SER 2 HN SER 2 9.299 3.701 -5.079 7 HA SER 2 HA SER 2 11.597 5.227 -4.793 8 HG SER 2 HG SER 2 8.702 7.160 -5.971 9 HB2 SER 2 2HB SER 2 10.894 7.398 -5.761 10 HB3 SER 2 1HB SER 2 11.143 6.159 -6.990 11 H GLN 3 HN GLN 3 8.114 5.110 -4.534 12 HA GLN 3 HA GLN 3 8.143 6.864 -2.237 13 HB2 GLN 3 2HB GLN 3 5.935 5.384 -3.621 14 HB3 GLN 3 1HB GLN 3 5.682 6.367 -2.191 15 HG2 GLN 3 2HG GLN 3 6.724 7.334 -4.846 16 HG3 GLN 3 1HG GLN 3 5.090 7.567 -4.225 17 HE21 GLN 3 2HE2 GLN 3 7.341 10.539 -3.619 18 HE22 GLN 3 1HE2 GLN 3 7.077 9.545 -5.008 19 H VAL 4 HN VAL 4 7.650 6.226 -0.152 20 HA VAL 4 HA VAL 4 8.325 3.472 0.455 21 HB VAL 4 HB VAL 4 9.408 5.306 1.707 22 HG11 VAL 4 1HG1 VAL 4 8.164 6.615 3.324 23 HG12 VAL 4 2HG1 VAL 4 6.663 5.825 2.846 24 HG13 VAL 4 3HG1 VAL 4 7.513 6.869 1.706 25 HG21 VAL 4 3HG2 VAL 4 8.107 4.256 3.993 26 HG22 VAL 4 1HG2 VAL 4 9.657 3.785 3.300 27 HG23 VAL 4 2HG2 VAL 4 8.177 2.980 2.777 28 H PHE 5 HN PHE 5 5.911 3.606 -0.812 29 HA PHE 5 HA PHE 5 4.198 2.281 0.972 30 HD1 PHE 5 HD1 PHE 5 4.879 6.294 1.921 31 HD2 PHE 5 HD2 PHE 5 2.469 5.226 -1.421 32 HE1 PHE 5 HE1 PHE 5 5.307 8.498 0.913 33 HE2 PHE 5 HE2 PHE 5 2.893 7.428 -2.435 34 HZ PHE 5 HZ PHE 5 4.313 9.067 -1.267 35 HB2 PHE 5 2HB PHE 5 2.337 4.060 0.835 36 HB3 PHE 5 1HB PHE 5 3.637 4.329 1.985 37 H GLU 6 HN GLU 6 1.882 2.174 -0.084 38 HA GLU 6 HA GLU 6 1.809 2.386 -2.952 39 HB2 GLU 6 2HB GLU 6 2.948 0.270 -2.798 40 HB3 GLU 6 1HB GLU 6 1.843 -0.303 -1.554 41 HG2 GLU 6 2HG GLU 6 1.319 -1.354 -3.647 42 HG3 GLU 6 1HG GLU 6 0.013 -0.257 -3.202 43 H TYR 7 HN TYR 7 -0.262 2.996 -3.447 44 HA TYR 7 HA TYR 7 -2.252 2.777 -1.376 45 HD1 TYR 7 HD1 TYR 7 -0.305 4.788 -4.385 46 HD2 TYR 7 HD2 TYR 7 -4.384 3.720 -4.958 47 HE1 TYR 7 HE1 TYR 7 -0.010 4.987 -6.818 48 HE2 TYR 7 HE2 TYR 7 -4.100 3.916 -7.392 49 HH TYR 7 HH TYR 7 -2.625 5.041 -8.989 50 HB2 TYR 7 2HB TYR 7 -3.585 4.268 -2.777 51 HB3 TYR 7 1HB TYR 7 -1.963 4.902 -2.536 52 H ALA 8 HN ALA 8 -3.194 0.860 -1.203 53 HA ALA 8 HA ALA 8 -4.007 -0.619 -3.585 54 HB1 ALA 8 3HB ALA 8 -4.496 -2.416 -2.115 55 HB2 ALA 8 1HB ALA 8 -4.550 -1.343 -0.719 56 HB3 ALA 8 2HB ALA 8 -3.011 -1.686 -1.499 57 H GLU 9 HN GLU 9 -5.303 1.559 -3.863 58 HA GLU 9 HA GLU 9 -7.955 1.276 -2.657 59 HB2 GLU 9 2HB GLU 9 -7.472 3.260 -1.799 60 HB3 GLU 9 1HB GLU 9 -6.106 3.495 -2.870 61 HG2 GLU 9 2HG GLU 9 -8.957 3.993 -3.612 62 HG3 GLU 9 1HG GLU 9 -7.861 5.222 -3.010 63 H VAL 10 HN VAL 10 -9.715 1.616 -3.734 64 HA VAL 10 HA VAL 10 -9.567 1.058 -6.542 65 HB VAL 10 HB VAL 10 -11.935 1.277 -4.748 66 HG11 VAL 10 1HG1 VAL 10 -11.966 -0.353 -7.221 67 HG12 VAL 10 2HG1 VAL 10 -12.004 1.398 -7.419 68 HG13 VAL 10 3HG1 VAL 10 -13.257 0.592 -6.481 69 HG21 VAL 10 3HG2 VAL 10 -11.842 -1.059 -4.443 70 HG22 VAL 10 1HG2 VAL 10 -10.211 -0.464 -4.160 71 HG23 VAL 10 2HG2 VAL 10 -10.612 -1.246 -5.690 72 H ASP 11 HN ASP 11 -10.587 3.571 -4.389 73 HA ASP 11 HA ASP 11 -10.601 5.455 -6.619 74 HB2 ASP 11 2HB ASP 11 -12.950 4.696 -6.177 75 HB3 ASP 11 1HB ASP 11 -12.819 5.396 -4.571 76 H GLU 12 HN GLU 12 -10.531 4.915 -3.123 77 HA GLU 12 HA GLU 12 -8.842 7.233 -2.788 78 HB2 GLU 12 2HB GLU 12 -11.637 7.166 -1.667 79 HB3 GLU 12 1HB GLU 12 -10.375 8.166 -0.959 80 HG2 GLU 12 2HG GLU 12 -11.318 8.330 -3.812 81 HG3 GLU 12 1HG GLU 12 -11.820 9.406 -2.509 82 H ILE 13 HN ILE 13 -8.075 7.505 -0.563 83 HA ILE 13 HA ILE 13 -8.232 5.032 1.025 84 HB ILE 13 HB ILE 13 -5.841 5.003 1.411 85 HG12 ILE 13 2HG1 ILE 13 -5.572 7.517 1.377 86 HG13 ILE 13 1HG1 ILE 13 -4.319 6.648 0.492 87 HG21 ILE 13 1HG2 ILE 13 -5.115 5.115 -1.169 88 HG22 ILE 13 2HG2 ILE 13 -6.865 5.076 -1.347 89 HG23 ILE 13 3HG2 ILE 13 -6.039 3.784 -0.478 90 HD11 ILE 13 3HD1 ILE 13 -6.291 7.137 -1.398 91 HD12 ILE 13 1HD1 ILE 13 -4.753 7.988 -1.219 92 HD13 ILE 13 2HD1 ILE 13 -6.204 8.619 -0.441 93 H VAL 14 HN VAL 14 -6.490 5.835 3.048 94 HA VAL 14 HA VAL 14 -7.306 8.454 3.998 95 HB VAL 14 HB VAL 14 -8.000 5.937 5.526 96 HG11 VAL 14 1HG1 VAL 14 -8.904 7.461 7.235 97 HG12 VAL 14 2HG1 VAL 14 -8.255 8.833 6.336 98 HG13 VAL 14 3HG1 VAL 14 -7.161 7.642 7.037 99 HG21 VAL 14 3HG2 VAL 14 -9.763 8.106 4.389 100 HG22 VAL 14 1HG2 VAL 14 -10.307 6.730 5.347 101 HG23 VAL 14 2HG2 VAL 14 -9.595 6.469 3.755 102 H GLU 15 HN GLU 15 -5.947 5.411 5.212 103 HA GLU 15 HA GLU 15 -3.735 6.901 6.427 104 HB2 GLU 15 2HB GLU 15 -4.897 5.109 7.724 105 HB3 GLU 15 1HB GLU 15 -4.339 3.935 6.539 106 HG2 GLU 15 2HG GLU 15 -2.948 3.906 8.525 107 HG3 GLU 15 1HG GLU 15 -2.028 4.430 7.116 108 H LYS 16 HN LYS 16 -1.665 6.863 5.581 109 HA LYS 16 HA LYS 16 -1.032 4.875 3.547 110 HB2 LYS 16 2HB LYS 16 -0.335 6.675 1.933 111 HB3 LYS 16 1HB LYS 16 -2.068 6.531 2.189 112 HG2 LYS 16 2HG LYS 16 -2.064 8.457 3.634 113 HG3 LYS 16 1HG LYS 16 -0.308 8.575 3.529 114 HD2 LYS 16 2HD LYS 16 -1.307 10.200 2.054 115 HD3 LYS 16 1HD LYS 16 -0.519 8.949 1.091 116 HE2 LYS 16 2HE LYS 16 -2.680 7.862 0.734 117 HE3 LYS 16 1HE LYS 16 -3.469 9.103 1.705 118 HZ1 LYS 16 3HZ LYS 16 -2.031 9.548 -0.857 119 HZ2 LYS 16 1HZ LYS 16 -2.749 10.759 0.083 120 HZ3 LYS 16 2HZ LYS 16 -3.708 9.569 -0.641 121 H ARG 17 HN ARG 17 0.585 4.307 5.265 122 HA ARG 17 HA ARG 17 3.054 5.751 4.821 123 HE ARG 17 HE ARG 17 5.940 6.703 8.914 124 HB2 ARG 17 2HB ARG 17 2.083 7.026 6.671 125 HB3 ARG 17 1HB ARG 17 1.905 5.550 7.609 126 HG2 ARG 17 2HG ARG 17 4.311 5.275 7.692 127 HG3 ARG 17 1HG ARG 17 4.526 6.703 6.677 128 HD2 ARG 17 2HD ARG 17 3.482 8.084 8.409 129 HD3 ARG 17 1HD ARG 17 3.272 6.657 9.422 130 HH11 ARG 17 1HH1 ARG 17 3.678 9.028 10.181 131 HH12 ARG 17 2HH1 ARG 17 4.850 9.817 11.181 132 HH21 ARG 17 2HH2 ARG 17 7.019 9.083 11.208 133 HH22 ARG 17 1HH2 ARG 17 7.492 7.735 10.229 134 H GLY 18 HN GLY 18 3.993 3.847 4.002 135 HA2 GLY 18 2HA GLY 18 4.643 1.911 6.078 136 HA3 GLY 18 1HA GLY 18 3.708 1.295 4.737 137 H LYS 19 HN LYS 19 4.963 0.077 3.595 138 HA LYS 19 HA LYS 19 7.650 1.002 2.881 139 HB2 LYS 19 2HB LYS 19 6.465 -1.719 3.309 140 HB3 LYS 19 1HB LYS 19 8.066 -1.480 2.613 141 HG2 LYS 19 2HG LYS 19 8.774 -0.327 4.648 142 HG3 LYS 19 1HG LYS 19 7.172 -0.599 5.345 143 HD2 LYS 19 2HD LYS 19 7.492 -2.999 5.133 144 HD3 LYS 19 1HD LYS 19 9.093 -2.728 4.448 145 HE2 LYS 19 2HE LYS 19 8.167 -1.979 7.220 146 HE3 LYS 19 1HE LYS 19 9.289 -3.274 6.805 147 HZ1 LYS 19 3HZ LYS 19 9.750 -0.371 6.394 148 HZ2 LYS 19 1HZ LYS 19 10.820 -1.601 5.941 149 HZ3 LYS 19 2HZ LYS 19 10.478 -1.338 7.576 150 H GLY 20 HN GLY 20 6.956 -1.705 1.100 151 HA2 GLY 20 2HA GLY 20 6.185 -0.125 -1.214 152 HA3 GLY 20 1HA GLY 20 6.820 -1.772 -1.224 153 H LYS 21 HN LYS 21 5.379 -2.863 0.717 154 HA LYS 21 HA LYS 21 2.561 -2.654 -0.066 155 HB2 LYS 21 2HB LYS 21 3.997 -5.268 0.380 156 HB3 LYS 21 1HB LYS 21 2.375 -5.031 -0.254 157 HG2 LYS 21 2HG LYS 21 4.849 -4.065 -1.656 158 HG3 LYS 21 1HG LYS 21 4.127 -5.651 -1.937 159 HD2 LYS 21 2HD LYS 21 2.107 -4.668 -2.745 160 HD3 LYS 21 1HD LYS 21 2.625 -3.057 -2.243 161 HE2 LYS 21 2HE LYS 21 2.830 -3.707 -4.732 162 HE3 LYS 21 1HE LYS 21 4.184 -2.886 -3.956 163 HZ1 LYS 21 3HZ LYS 21 4.028 -5.836 -4.166 164 HZ2 LYS 21 1HZ LYS 21 5.379 -4.887 -3.799 165 HZ3 LYS 21 2HZ LYS 21 4.742 -4.881 -5.365 166 H ASP 22 HN ASP 22 4.706 -2.385 2.431 167 HA ASP 22 HA ASP 22 3.198 -3.755 4.440 168 HB2 ASP 22 2HB ASP 22 5.753 -3.551 4.405 169 HB3 ASP 22 1HB ASP 22 5.495 -1.895 4.926 170 H VAL 23 HN VAL 23 2.548 -1.156 2.862 171 HA VAL 23 HA VAL 23 1.936 0.647 5.037 172 HB VAL 23 HB VAL 23 2.946 1.494 2.980 173 HG11 VAL 23 1HG1 VAL 23 0.711 1.322 1.218 174 HG12 VAL 23 2HG1 VAL 23 1.100 -0.294 1.794 175 HG13 VAL 23 3HG1 VAL 23 2.338 0.680 1.009 176 HG21 VAL 23 3HG2 VAL 23 1.233 2.777 4.377 177 HG22 VAL 23 1HG2 VAL 23 0.101 2.460 3.067 178 HG23 VAL 23 2HG2 VAL 23 1.572 3.387 2.761 179 H GLU 24 HN GLU 24 -0.147 1.293 5.533 180 HA GLU 24 HA GLU 24 -2.234 -0.540 4.584 181 HB2 GLU 24 2HB GLU 24 -3.508 0.316 6.610 182 HB3 GLU 24 1HB GLU 24 -2.137 -0.736 6.916 183 HG2 GLU 24 2HG GLU 24 -1.838 2.240 6.982 184 HG3 GLU 24 1HG GLU 24 -2.454 1.356 8.377 185 H TYR 25 HN TYR 25 -3.426 0.277 3.034 186 HA TYR 25 HA TYR 25 -4.092 3.127 3.098 187 HD1 TYR 25 HD1 TYR 25 -3.860 4.776 0.254 188 HD2 TYR 25 HD2 TYR 25 -1.187 1.744 1.536 189 HE1 TYR 25 HE1 TYR 25 -1.963 6.288 -0.096 190 HE2 TYR 25 HE2 TYR 25 0.719 3.248 1.183 191 HH TYR 25 HH TYR 25 1.355 5.216 0.186 192 HB2 TYR 25 2HB TYR 25 -3.549 1.246 0.854 193 HB3 TYR 25 1HB TYR 25 -4.660 2.583 0.592 194 H LEU 26 HN LEU 26 -6.225 3.722 2.676 195 HA LEU 26 HA LEU 26 -8.201 1.694 3.283 196 HG LEU 26 HG LEU 26 -10.568 2.906 3.097 197 HB2 LEU 26 2HB LEU 26 -8.503 3.673 4.556 198 HB3 LEU 26 1HB LEU 26 -8.214 4.699 3.169 199 HD11 LEU 26 1HD1 LEU 26 -11.661 3.807 4.790 200 HD12 LEU 26 2HD1 LEU 26 -11.332 5.430 4.184 201 HD13 LEU 26 3HD1 LEU 26 -10.175 4.637 5.253 202 HD21 LEU 26 3HD2 LEU 26 -11.514 5.018 2.015 203 HD22 LEU 26 1HD2 LEU 26 -10.309 4.098 1.119 204 HD23 LEU 26 2HD2 LEU 26 -9.845 5.569 1.969 205 H VAL 27 HN VAL 27 -10.156 1.561 1.883 206 HA VAL 27 HA VAL 27 -9.692 2.691 -0.746 207 HB VAL 27 HB VAL 27 -9.381 0.892 -1.874 208 HG11 VAL 27 1HG1 VAL 27 -7.765 0.540 -0.135 209 HG12 VAL 27 2HG1 VAL 27 -8.341 -1.013 -0.740 210 HG13 VAL 27 3HG1 VAL 27 -8.934 -0.391 0.800 211 HG21 VAL 27 3HG2 VAL 27 -10.537 -1.324 -1.521 212 HG22 VAL 27 1HG2 VAL 27 -11.597 0.039 -1.878 213 HG23 VAL 27 2HG2 VAL 27 -11.440 -0.545 -0.223 214 H ARG 28 HN ARG 28 -11.323 3.890 -1.187 215 HA ARG 28 HA ARG 28 -14.011 3.120 -0.372 216 HE ARG 28 HE ARG 28 -11.659 7.595 1.352 217 HB2 ARG 28 2HB ARG 28 -13.321 5.507 -2.056 218 HB3 ARG 28 1HB ARG 28 -14.696 5.294 -0.986 219 HG2 ARG 28 2HG ARG 28 -13.097 5.333 0.938 220 HG3 ARG 28 1HG ARG 28 -11.834 5.791 -0.206 221 HD2 ARG 28 2HD ARG 28 -13.316 7.724 -0.877 222 HD3 ARG 28 1HD ARG 28 -14.329 7.316 0.506 223 HH11 ARG 28 1HH1 ARG 28 -14.349 9.495 0.218 224 HH12 ARG 28 2HH1 ARG 28 -13.855 10.930 1.054 225 HH21 ARG 28 2HH2 ARG 28 -11.953 10.920 2.329 226 HH22 ARG 28 1HH2 ARG 28 -11.002 9.479 2.459 227 H TRP 29 HN TRP 29 -13.958 1.251 -1.598 228 HA TRP 29 HA TRP 29 -13.487 0.539 -4.068 229 HD1 TRP 29 HD1 TRP 29 -13.531 -0.943 -5.386 230 HE1 TRP 29 HE1 TRP 29 -13.519 -3.457 -5.931 231 HE3 TRP 29 HE3 TRP 29 -16.915 -2.546 -1.905 232 HZ2 TRP 29 HZ2 TRP 29 -14.777 -5.808 -5.010 233 HZ3 TRP 29 HZ3 TRP 29 -17.456 -4.944 -1.804 234 HH2 TRP 29 HH2 TRP 29 -16.409 -6.541 -3.325 235 HB2 TRP 29 2HB TRP 29 -15.232 -0.323 -2.155 236 HB3 TRP 29 1HB TRP 29 -16.324 0.056 -3.480 237 H LYS 30 HN LYS 30 -13.300 2.311 -5.419 238 HA LYS 30 HA LYS 30 -14.843 4.255 -6.294 239 HB2 LYS 30 2HB LYS 30 -13.962 4.088 -8.441 240 HB3 LYS 30 1HB LYS 30 -12.815 3.176 -7.476 241 HG2 LYS 30 2HG LYS 30 -14.087 1.096 -8.172 242 HG3 LYS 30 1HG LYS 30 -14.923 2.119 -9.337 243 HD2 LYS 30 2HD LYS 30 -11.933 2.097 -9.235 244 HD3 LYS 30 1HD LYS 30 -12.803 0.810 -10.073 245 HE2 LYS 30 2HE LYS 30 -12.134 2.633 -11.584 246 HE3 LYS 30 1HE LYS 30 -13.883 2.427 -11.511 247 HZ1 LYS 30 3HZ LYS 30 -14.150 4.375 -10.340 248 HZ2 LYS 30 1HZ LYS 30 -12.876 4.781 -11.376 249 HZ3 LYS 30 2HZ LYS 30 -12.560 4.392 -9.761 250 H ASP 31 HN ASP 31 -15.748 0.895 -6.825 251 HA ASP 31 HA ASP 31 -18.399 1.804 -7.745 252 HB2 ASP 31 2HB ASP 31 -17.027 -0.828 -8.357 253 HB3 ASP 31 1HB ASP 31 -18.611 -0.326 -8.939 254 H GLY 32 HN GLY 32 -18.224 1.894 -5.151 255 HA2 GLY 32 2HA GLY 32 -19.712 -0.456 -4.234 256 HA3 GLY 32 1HA GLY 32 -18.256 -0.012 -3.349 257 H GLY 33 HN GLY 33 -19.530 0.284 -1.475 258 HA2 GLY 33 2HA GLY 33 -20.808 2.931 -1.412 259 HA3 GLY 33 1HA GLY 33 -21.673 1.546 -0.760 260 H ASP 34 HN ASP 34 -19.635 0.189 0.519 261 HA ASP 34 HA ASP 34 -19.190 1.944 2.803 262 HB2 ASP 34 2HB ASP 34 -20.152 -0.271 3.215 263 HB3 ASP 34 1HB ASP 34 -18.747 -1.032 2.477 264 H CYS 35 HN CYS 35 -17.081 1.829 3.946 265 HA CYS 35 HA CYS 35 -14.861 1.699 2.012 266 HG CYS 35 HG CYS 35 -15.688 4.072 1.165 267 HB2 CYS 35 2HB CYS 35 -15.140 3.472 4.447 268 HB3 CYS 35 1HB CYS 35 -13.743 3.422 3.377 269 H GLU 36 HN GLU 36 -13.068 0.555 2.518 270 HA GLU 36 HA GLU 36 -12.895 -0.623 5.208 271 HB2 GLU 36 2HB GLU 36 -12.489 -2.057 2.579 272 HB3 GLU 36 1HB GLU 36 -12.117 -2.739 4.157 273 HG2 GLU 36 2HG GLU 36 -14.844 -1.861 3.236 274 HG3 GLU 36 1HG GLU 36 -14.262 -3.524 3.272 275 H TRP 37 HN TRP 37 -10.670 -1.579 5.607 276 HA TRP 37 HA TRP 37 -8.659 0.257 4.507 277 HD1 TRP 37 HD1 TRP 37 -9.280 2.101 5.396 278 HE1 TRP 37 HE1 TRP 37 -10.240 3.767 7.106 279 HE3 TRP 37 HE3 TRP 37 -8.812 -0.722 9.635 280 HZ2 TRP 37 HZ2 TRP 37 -10.733 3.873 9.882 281 HZ3 TRP 37 HZ3 TRP 37 -9.549 0.239 11.777 282 HH2 TRP 37 HH2 TRP 37 -10.489 2.488 11.897 283 HB2 TRP 37 2HB TRP 37 -8.749 -1.263 7.115 284 HB3 TRP 37 1HB TRP 37 -7.363 -0.327 6.572 285 H VAL 38 HN VAL 38 -6.656 -0.489 3.814 286 HA VAL 38 HA VAL 38 -6.642 -3.268 2.939 287 HB VAL 38 HB VAL 38 -4.642 -1.065 2.391 288 HG11 VAL 38 1HG1 VAL 38 -3.905 -2.582 0.556 289 HG12 VAL 38 2HG1 VAL 38 -4.930 -3.836 1.247 290 HG13 VAL 38 3HG1 VAL 38 -3.572 -3.196 2.171 291 HG21 VAL 38 3HG2 VAL 38 -5.786 -0.513 0.508 292 HG22 VAL 38 1HG2 VAL 38 -7.141 -1.039 1.505 293 HG23 VAL 38 2HG2 VAL 38 -6.452 -2.132 0.306 294 H LYS 39 HN LYS 39 -4.700 -4.602 3.216 295 HA LYS 39 HA LYS 39 -3.856 -4.520 5.952 296 HB2 LYS 39 2HB LYS 39 -4.431 -6.652 4.884 297 HB3 LYS 39 1HB LYS 39 -3.109 -6.439 3.743 298 HG2 LYS 39 2HG LYS 39 -1.546 -6.440 5.705 299 HG3 LYS 39 1HG LYS 39 -2.920 -6.905 6.708 300 HD2 LYS 39 2HD LYS 39 -3.247 -8.901 5.314 301 HD3 LYS 39 1HD LYS 39 -1.851 -8.438 4.338 302 HE2 LYS 39 2HE LYS 39 -0.450 -8.557 6.382 303 HE3 LYS 39 1HE LYS 39 -1.854 -9.147 7.269 304 HZ1 LYS 39 3HZ LYS 39 -1.944 -11.035 5.720 305 HZ2 LYS 39 1HZ LYS 39 -0.493 -10.985 6.588 306 HZ3 LYS 39 2HZ LYS 39 -0.530 -10.486 4.973 307 H GLY 40 HN GLY 40 -2.510 -2.857 6.317 308 HA2 GLY 40 2HA GLY 40 -0.155 -2.538 4.642 309 HA3 GLY 40 1HA GLY 40 -0.660 -1.463 5.933 310 H VAL 41 HN VAL 41 -0.105 -4.957 5.959 311 HA VAL 41 HA VAL 41 2.067 -4.510 7.908 312 HB VAL 41 HB VAL 41 0.739 -7.151 7.863 313 HG11 VAL 41 1HG1 VAL 41 1.721 -5.366 10.083 314 HG12 VAL 41 2HG1 VAL 41 2.613 -6.691 9.335 315 HG13 VAL 41 3HG1 VAL 41 1.155 -7.026 10.270 316 HG21 VAL 41 3HG2 VAL 41 -0.594 -4.751 9.128 317 HG22 VAL 41 1HG2 VAL 41 -1.066 -6.433 9.378 318 HG23 VAL 41 2HG2 VAL 41 -1.220 -5.701 7.781 319 H HIS 42 HN HIS 42 1.780 -5.013 4.833 320 HA HIS 42 HA HIS 42 3.234 -7.470 4.543 321 HD1 HIS 42 HD1 HIS 42 0.151 -8.008 2.552 322 HD2 HIS 42 HD2 HIS 42 4.162 -8.680 1.702 323 HE1 HIS 42 HE1 HIS 42 0.260 -10.347 1.633 324 HE2 HIS 42 HE2 HIS 42 2.703 -10.750 1.172 325 HB2 HIS 42 2HB HIS 42 1.527 -5.970 2.892 326 HB3 HIS 42 1HB HIS 42 3.112 -5.956 2.113 327 H VAL 43 HN VAL 43 4.928 -6.941 5.799 328 HA VAL 43 HA VAL 43 6.750 -4.888 5.360 329 HB VAL 43 HB VAL 43 6.830 -6.165 7.385 330 HG11 VAL 43 1HG1 VAL 43 7.752 -8.515 5.739 331 HG12 VAL 43 2HG1 VAL 43 6.137 -8.326 6.423 332 HG13 VAL 43 3HG1 VAL 43 7.535 -8.472 7.488 333 HG21 VAL 43 3HG2 VAL 43 9.398 -6.740 5.926 334 HG22 VAL 43 1HG2 VAL 43 9.174 -6.428 7.646 335 HG23 VAL 43 2HG2 VAL 43 8.936 -5.131 6.475 336 H ALA 44 HN ALA 44 6.633 -4.907 3.004 337 HA ALA 44 HA ALA 44 8.430 -6.807 1.732 338 HB1 ALA 44 3HB ALA 44 7.765 -5.762 -0.363 339 HB2 ALA 44 1HB ALA 44 6.894 -4.506 0.515 340 HB3 ALA 44 2HB ALA 44 6.333 -6.176 0.579 341 H GLU 45 HN GLU 45 9.791 -5.554 3.565 342 HA GLU 45 HA GLU 45 10.864 -3.067 3.249 343 HB2 GLU 45 2HB GLU 45 11.453 -4.507 5.122 344 HB3 GLU 45 1HB GLU 45 12.325 -5.592 4.048 345 HG2 GLU 45 2HG GLU 45 13.926 -3.823 3.550 346 HG3 GLU 45 1HG GLU 45 13.048 -2.725 4.613 347 H ASP 46 HN ASP 46 11.393 -5.880 1.317 348 HA ASP 46 HA ASP 46 13.715 -4.960 -0.058 349 HB2 ASP 46 2HB ASP 46 11.586 -6.885 -1.017 350 HB3 ASP 46 1HB ASP 46 13.199 -6.699 -1.696 351 H VAL 47 HN VAL 47 10.252 -4.924 -0.849 352 HA VAL 47 HA VAL 47 10.443 -3.613 -3.308 353 HB VAL 47 HB VAL 47 8.206 -3.448 -1.280 354 HG11 VAL 47 1HG1 VAL 47 8.198 -2.840 -4.234 355 HG12 VAL 47 2HG1 VAL 47 8.084 -1.652 -2.935 356 HG13 VAL 47 3HG1 VAL 47 6.791 -2.830 -3.171 357 HG21 VAL 47 3HG2 VAL 47 8.505 -5.248 -3.679 358 HG22 VAL 47 1HG2 VAL 47 7.179 -5.247 -2.516 359 HG23 VAL 47 2HG2 VAL 47 8.796 -5.739 -2.012 360 H ALA 48 HN ALA 48 10.033 -2.344 -0.096 361 HA ALA 48 HA ALA 48 9.978 0.406 -0.636 362 HB1 ALA 48 3HB ALA 48 9.047 -0.343 1.398 363 HB2 ALA 48 1HB ALA 48 10.477 0.602 1.813 364 HB3 ALA 48 2HB ALA 48 10.540 -1.161 1.860 365 H LYS 49 HN LYS 49 12.529 -1.599 0.856 366 HA LYS 49 HA LYS 49 14.515 0.354 0.889 367 HB2 LYS 49 2HB LYS 49 14.714 -2.651 0.678 368 HB3 LYS 49 1HB LYS 49 16.120 -1.613 0.862 369 HG2 LYS 49 2HG LYS 49 13.823 -1.731 2.806 370 HG3 LYS 49 1HG LYS 49 15.339 -2.617 2.980 371 HD2 LYS 49 2HD LYS 49 16.563 -0.482 2.982 372 HD3 LYS 49 1HD LYS 49 15.028 0.382 2.863 373 HE2 LYS 49 2HE LYS 49 14.322 -0.562 4.999 374 HE3 LYS 49 1HE LYS 49 15.835 -1.459 5.114 375 HZ1 LYS 49 3HZ LYS 49 15.562 1.500 5.085 376 HZ2 LYS 49 1HZ LYS 49 17.025 0.654 5.161 377 HZ3 LYS 49 2HZ LYS 49 15.920 0.548 6.437 378 H ASP 50 HN ASP 50 13.420 -1.774 -1.651 379 HA ASP 50 HA ASP 50 15.521 -0.845 -3.430 380 HB2 ASP 50 2HB ASP 50 15.035 -2.631 -4.801 381 HB3 ASP 50 1HB ASP 50 14.579 -3.278 -3.232 382 H TYR 51 HN TYR 51 12.277 -0.097 -2.620 383 HA TYR 51 HA TYR 51 11.508 0.984 -5.096 384 HD1 TYR 51 HD1 TYR 51 10.438 -0.439 -5.526 385 HD2 TYR 51 HD2 TYR 51 7.609 1.309 -2.861 386 HE1 TYR 51 HE1 TYR 51 8.635 -1.659 -6.645 387 HE2 TYR 51 HE2 TYR 51 5.800 0.086 -3.983 388 HH TYR 51 HH TYR 51 5.352 -0.960 -6.157 389 HB2 TYR 51 2HB TYR 51 10.373 0.928 -2.431 390 HB3 TYR 51 1HB TYR 51 9.949 2.350 -3.346 391 H GLU 52 HN GLU 52 12.242 2.471 -2.010 392 HA GLU 52 HA GLU 52 12.795 5.016 -3.295 393 HB2 GLU 52 2HB GLU 52 12.694 6.004 -1.121 394 HB3 GLU 52 1HB GLU 52 11.335 4.899 -1.274 395 HG2 GLU 52 2HG GLU 52 12.644 3.204 -0.025 396 HG3 GLU 52 1HG GLU 52 13.902 4.414 0.216 397 H ASP 53 HN ASP 53 14.371 2.766 -1.057 398 HA ASP 53 HA ASP 53 16.863 4.170 -1.124 399 HB2 ASP 53 2HB ASP 53 15.767 1.777 0.206 400 HB3 ASP 53 1HB ASP 53 17.503 1.735 -0.104 401 H GLY 54 HN GLY 54 15.376 1.778 -3.097 402 HA2 GLY 54 2HA GLY 54 17.719 0.530 -4.105 403 HA3 GLY 54 1HA GLY 54 16.144 0.546 -4.885 404 H LEU 55 HN LEU 55 15.796 3.287 -5.228 405 HA LEU 55 HA LEU 55 17.525 3.735 -7.494 406 HG LEU 55 HG LEU 55 14.457 3.304 -7.422 407 HB2 LEU 55 2HB LEU 55 15.247 5.340 -6.334 408 HB3 LEU 55 1HB LEU 55 16.124 5.796 -7.784 409 HD11 LEU 55 1HD1 LEU 55 13.142 5.349 -7.643 410 HD12 LEU 55 2HD1 LEU 55 12.988 4.327 -9.072 411 HD13 LEU 55 3HD1 LEU 55 14.019 5.758 -9.118 412 HD21 LEU 55 3HD2 LEU 55 14.880 2.931 -9.811 413 HD22 LEU 55 1HD2 LEU 55 16.363 2.859 -8.860 414 HD23 LEU 55 2HD2 LEU 55 15.999 4.294 -9.818 415 H GLU 56 HN GLU 56 16.595 5.812 -4.742 416 HA GLU 56 HA GLU 56 19.010 7.369 -5.049 417 HB2 GLU 56 2HB GLU 56 16.756 7.545 -3.062 418 HB3 GLU 56 1HB GLU 56 18.101 8.672 -3.129 419 HG2 GLU 56 2HG GLU 56 16.143 8.185 -5.361 420 HG3 GLU 56 1HG GLU 56 16.067 9.524 -4.218 421 H TYR 57 HN TYR 57 20.116 5.144 -4.625 422 HA TYR 57 HA TYR 57 20.355 4.461 -1.823 423 HD1 TYR 57 HD1 TYR 57 20.484 1.344 -1.551 424 HD2 TYR 57 HD2 TYR 57 23.979 3.264 -3.036 425 HE1 TYR 57 HE1 TYR 57 21.869 -0.029 -0.053 426 HE2 TYR 57 HE2 TYR 57 25.372 1.895 -1.544 427 HH TYR 57 HH TYR 57 24.162 -0.823 0.121 428 HB2 TYR 57 2HB TYR 57 20.377 2.693 -3.533 429 HB3 TYR 57 1HB TYR 57 21.831 3.393 -4.241 430 HA ALA 1 HA ALA 1 -15.966 -9.559 -0.552 431 H1 ALA 1 1H ALA 1 -17.299 -11.051 0.787 432 H2 ALA 1 2H ALA 1 -16.296 -10.785 2.123 433 H3 ALA 1 3H ALA 1 -15.683 -11.552 0.745 434 HB1 ALA 1 3HB ALA 1 -17.917 -8.691 0.626 435 HB2 ALA 1 1HB ALA 1 -16.645 -7.476 0.524 436 HB3 ALA 1 2HB ALA 1 -16.918 -8.340 2.036 437 HA PRO 2 HA PRO 2 -11.794 -8.900 0.803 438 HB2 PRO 2 1HB PRO 2 -11.296 -8.661 -1.436 439 HB3 PRO 2 2HB PRO 2 -11.070 -6.975 -0.952 440 HG2 PRO 2 2HG PRO 2 -13.168 -6.341 -1.722 441 HG3 PRO 2 1HG PRO 2 -12.774 -7.611 -2.895 442 HD2 PRO 2 2HD PRO 2 -15.028 -7.651 -1.383 443 HD3 PRO 2 1HD PRO 2 -14.206 -9.127 -1.925 444 HA PRO 3 HA PRO 3 -12.215 -5.412 3.555 445 HB2 PRO 3 1HB PRO 3 -10.944 -6.661 5.020 446 HB3 PRO 3 2HB PRO 3 -9.737 -5.434 4.619 447 HG2 PRO 3 2HG PRO 3 -8.662 -6.812 3.088 448 HG3 PRO 3 1HG PRO 3 -9.214 -8.019 4.262 449 HD2 PRO 3 2HD PRO 3 -9.837 -8.129 1.617 450 HD3 PRO 3 1HD PRO 3 -10.895 -8.770 2.889 451 H GLY 4 HN GLY 4 -12.285 -4.162 1.385 452 HA2 GLY 4 2HA GLY 4 -11.547 -2.436 0.058 453 HA3 GLY 4 1HA GLY 4 -10.853 -1.833 1.556 454 H THR 5 HN THR 5 -10.246 -3.274 -1.487 455 HA THR 5 HA THR 5 -7.418 -2.774 -1.227 456 HB THR 5 HB THR 5 -6.694 -5.022 -1.911 457 HG1 THR 5 HG1 THR 5 -8.637 -5.748 -2.868 458 HG21 THR 5 3HG2 THR 5 -7.039 -6.152 0.227 459 HG22 THR 5 1HG2 THR 5 -8.354 -5.041 0.611 460 HG23 THR 5 2HG2 THR 5 -6.703 -4.438 0.471 461 H ALA 6 HN ALA 6 -6.373 -2.482 -3.197 462 HA ALA 6 HA ALA 6 -7.856 -3.131 -5.636 463 HB1 ALA 6 3HB ALA 6 -8.582 -0.901 -5.108 464 HB2 ALA 6 1HB ALA 6 -7.547 -0.869 -6.533 465 HB3 ALA 6 2HB ALA 6 -6.912 -0.365 -4.969 466 H ARG 7 HN ARG 7 -5.146 -0.876 -5.337 467 HA ARG 7 HA ARG 7 -3.706 -1.935 -7.436 468 HE ARG 7 HE ARG 7 -1.402 0.599 -8.371 469 HB2 ARG 7 2HB ARG 7 -2.682 -0.391 -5.053 470 HB3 ARG 7 1HB ARG 7 -1.765 -0.683 -6.523 471 HG2 ARG 7 2HG ARG 7 -4.350 0.850 -6.323 472 HG3 ARG 7 1HG ARG 7 -2.739 1.540 -6.528 473 HD2 ARG 7 2HD ARG 7 -4.088 -0.335 -8.469 474 HD3 ARG 7 1HD ARG 7 -4.007 1.418 -8.642 475 HH11 ARG 7 1HH1 ARG 7 -4.032 -0.091 -10.545 476 HH12 ARG 7 2HH1 ARG 7 -3.001 -0.415 -11.899 477 HH21 ARG 7 2HH2 ARG 7 -0.727 -0.264 -11.672 478 HH22 ARG 7 1HH2 ARG 7 -0.033 0.176 -10.147 479 H ARG 8 HN ARG 8 -1.700 -2.002 -4.566 480 HA ARG 8 HA ARG 8 -0.357 -3.661 -3.774 481 HE ARG 8 HE ARG 8 -2.251 -7.045 -2.015 482 HB2 ARG 8 2HB ARG 8 -3.039 -4.957 -4.077 483 HB3 ARG 8 1HB ARG 8 -1.661 -5.938 -3.587 484 HG2 ARG 8 2HG ARG 8 -1.312 -4.558 -1.645 485 HG3 ARG 8 1HG ARG 8 -2.577 -3.446 -2.170 486 HD2 ARG 8 2HD ARG 8 -3.407 -4.930 -0.433 487 HD3 ARG 8 1HD ARG 8 -4.233 -5.233 -1.960 488 HH11 ARG 8 1HH1 ARG 8 -4.587 -6.214 0.430 489 HH12 ARG 8 2HH1 ARG 8 -4.652 -7.812 1.095 490 HH21 ARG 8 2HH2 ARG 8 -3.368 -9.484 0.195 491 HH22 ARG 8 1HH2 ARG 8 -2.329 -9.151 -1.151 492 H LYS 9 HN LYS 9 0.469 -6.000 -4.298 493 HA LYS 9 HA LYS 9 0.330 -6.618 -7.141 494 HB2 LYS 9 2HB LYS 9 2.959 -6.014 -5.773 495 HB3 LYS 9 1HB LYS 9 2.762 -6.554 -7.432 496 HG2 LYS 9 2HG LYS 9 1.626 -3.980 -6.377 497 HG3 LYS 9 1HG LYS 9 3.199 -4.117 -7.165 498 HD2 LYS 9 2HD LYS 9 0.581 -4.942 -8.418 499 HD3 LYS 9 1HD LYS 9 1.374 -3.389 -8.691 500 HE2 LYS 9 2HE LYS 9 3.335 -4.555 -9.584 501 HE3 LYS 9 1HE LYS 9 2.537 -6.104 -9.314 502 HZ1 LYS 9 3HZ LYS 9 2.332 -5.406 -11.610 503 HZ2 LYS 9 1HZ LYS 9 1.592 -3.959 -11.140 504 HZ3 LYS 9 2HZ LYS 9 0.810 -5.435 -10.875 505 H ARG 10 HN ARG 10 2.440 -8.420 -7.288 506 HA ARG 10 HA ARG 10 1.393 -10.766 -6.346 507 HE ARG 10 HE ARG 10 6.825 -8.648 -7.631 508 HB2 ARG 10 2HB ARG 10 3.718 -11.700 -6.612 509 HB3 ARG 10 1HB ARG 10 3.085 -10.846 -8.013 510 HG2 ARG 10 2HG ARG 10 4.411 -8.913 -7.505 511 HG3 ARG 10 1HG ARG 10 4.945 -9.628 -5.983 512 HD2 ARG 10 2HD ARG 10 6.130 -11.364 -7.164 513 HD3 ARG 10 1HD ARG 10 5.497 -10.795 -8.708 514 HH11 ARG 10 1HH1 ARG 10 7.646 -11.920 -8.493 515 HH12 ARG 10 2HH1 ARG 10 9.290 -11.541 -8.884 516 HH21 ARG 10 2HH2 ARG 10 10.053 -9.391 -8.685 517 HH22 ARG 10 1HH2 ARG 10 8.987 -8.137 -8.144 518 H LYS 11 HN LYS 11 3.214 -8.412 -4.586 519 HA LYS 11 HA LYS 11 3.461 -8.182 -2.319 520 HB2 LYS 11 2HB LYS 11 2.653 -11.064 -1.936 521 HB3 LYS 11 1HB LYS 11 2.632 -9.766 -0.755 522 HG2 LYS 11 2HG LYS 11 0.791 -10.120 -3.106 523 HG3 LYS 11 1HG LYS 11 0.388 -10.224 -1.393 524 HD2 LYS 11 2HD LYS 11 1.375 -7.737 -2.784 525 HD3 LYS 11 1HD LYS 11 -0.316 -8.090 -2.427 526 HE2 LYS 11 2HE LYS 11 0.282 -8.226 -0.021 527 HE3 LYS 11 1HE LYS 11 1.919 -7.722 -0.437 528 HZ1 LYS 11 3HZ LYS 11 0.685 -5.823 0.269 529 HZ2 LYS 11 1HZ LYS 11 -0.576 -6.157 -0.810 530 HZ3 LYS 11 2HZ LYS 11 0.938 -5.682 -1.397 531 H ALA 12 HN ALA 12 5.669 -7.988 -2.897 532 HA ALA 12 HA ALA 12 7.521 -9.964 -3.317 533 HB1 ALA 12 3HB ALA 12 7.934 -7.510 -3.434 534 HB2 ALA 12 1HB ALA 12 9.208 -8.415 -2.615 535 HB3 ALA 12 2HB ALA 12 8.036 -7.493 -1.674 536 H ASP 13 HN ASP 13 6.031 -9.015 -0.303 537 HA ASP 13 HA ASP 13 7.698 -10.972 1.130 538 HB2 ASP 13 2HB ASP 13 7.833 -8.721 2.064 539 HB3 ASP 13 1HB ASP 13 6.079 -8.650 2.202 540 H SER 14 HN SER 14 6.072 -12.407 -0.152 541 HA SER 14 HA SER 14 3.429 -12.618 0.928 542 HG SER 14 HG SER 14 2.785 -15.221 -1.323 543 HB2 SER 14 2HB SER 14 3.881 -13.292 -1.378 544 HB3 SER 14 1HB SER 14 5.008 -14.526 -0.816 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 8.332 4.357 -6.306 2 H2 GLY 1 2H GLY 1 8.730 3.254 -5.086 3 H3 GLY 1 3H GLY 1 8.431 2.705 -6.657 4 HA2 GLY 1 1HA GLY 1 10.817 2.749 -6.099 5 HA3 GLY 1 2HA GLY 1 10.391 3.722 -7.498 6 H SER 2 HN SER 2 9.606 4.759 -4.261 7 HA SER 2 HA SER 2 11.891 6.195 -3.594 8 HG SER 2 HG SER 2 9.616 8.737 -5.811 9 HB2 SER 2 2HB SER 2 11.285 8.485 -4.242 10 HB3 SER 2 1HB SER 2 11.509 7.457 -5.656 11 H GLN 3 HN GLN 3 8.387 6.089 -3.582 12 HA GLN 3 HA GLN 3 8.261 7.414 -1.009 13 HB2 GLN 3 2HB GLN 3 6.145 6.261 -2.790 14 HB3 GLN 3 1HB GLN 3 5.799 6.998 -1.238 15 HG2 GLN 3 2HG GLN 3 6.749 9.106 -2.045 16 HG3 GLN 3 1HG GLN 3 7.057 8.357 -3.611 17 HE21 GLN 3 2HE2 GLN 3 3.773 8.605 -4.752 18 HE22 GLN 3 1HE2 GLN 3 5.337 7.908 -4.978 19 H VAL 4 HN VAL 4 7.818 6.402 0.917 20 HA VAL 4 HA VAL 4 8.272 3.532 0.929 21 HB VAL 4 HB VAL 4 7.848 5.096 3.437 22 HG11 VAL 4 1HG1 VAL 4 8.176 2.695 3.569 23 HG12 VAL 4 2HG1 VAL 4 9.538 3.547 4.294 24 HG13 VAL 4 3HG1 VAL 4 9.695 2.839 2.687 25 HG21 VAL 4 3HG2 VAL 4 10.281 5.255 1.678 26 HG22 VAL 4 1HG2 VAL 4 10.324 5.613 3.404 27 HG23 VAL 4 2HG2 VAL 4 9.318 6.581 2.328 28 H PHE 5 HN PHE 5 5.910 3.952 -0.207 29 HA PHE 5 HA PHE 5 4.131 2.446 1.319 30 HD1 PHE 5 HD1 PHE 5 4.876 6.369 3.008 31 HD2 PHE 5 HD2 PHE 5 2.468 5.676 -0.430 32 HE1 PHE 5 HE1 PHE 5 5.200 8.708 2.315 33 HE2 PHE 5 HE2 PHE 5 2.787 8.013 -1.131 34 HZ PHE 5 HZ PHE 5 4.155 9.533 0.243 35 HB2 PHE 5 2HB PHE 5 2.402 4.231 1.767 36 HB3 PHE 5 1HB PHE 5 3.846 4.334 2.761 37 H GLU 6 HN GLU 6 2.365 1.812 0.092 38 HA GLU 6 HA GLU 6 1.972 3.131 -2.509 39 HB2 GLU 6 2HB GLU 6 3.254 1.081 -2.851 40 HB3 GLU 6 1HB GLU 6 2.042 0.151 -1.977 41 HG2 GLU 6 2HG GLU 6 1.885 -0.077 -4.429 42 HG3 GLU 6 1HG GLU 6 0.414 0.559 -3.694 43 H TYR 7 HN TYR 7 -0.153 3.282 -3.250 44 HA TYR 7 HA TYR 7 -2.176 2.855 -1.228 45 HD1 TYR 7 HD1 TYR 7 -4.017 3.314 -4.961 46 HD2 TYR 7 HD2 TYR 7 -0.460 5.456 -4.038 47 HE1 TYR 7 HE1 TYR 7 -3.581 3.612 -7.363 48 HE2 TYR 7 HE2 TYR 7 -0.014 5.762 -6.436 49 HH TYR 7 HH TYR 7 -2.337 5.107 -8.838 50 HB2 TYR 7 2HB TYR 7 -3.600 4.194 -2.704 51 HB3 TYR 7 1HB TYR 7 -2.095 5.013 -2.330 52 H ALA 8 HN ALA 8 -3.192 1.078 -1.075 53 HA ALA 8 HA ALA 8 -3.686 -0.561 -3.461 54 HB1 ALA 8 3HB ALA 8 -2.579 -1.698 -1.636 55 HB2 ALA 8 1HB ALA 8 -4.210 -2.341 -1.813 56 HB3 ALA 8 2HB ALA 8 -3.842 -1.202 -0.516 57 H GLU 9 HN GLU 9 -5.258 1.541 -3.627 58 HA GLU 9 HA GLU 9 -7.835 0.684 -2.534 59 HB2 GLU 9 2HB GLU 9 -8.333 2.791 -1.898 60 HB3 GLU 9 1HB GLU 9 -6.597 2.921 -1.840 61 HG2 GLU 9 2HG GLU 9 -8.333 3.797 -4.125 62 HG3 GLU 9 1HG GLU 9 -7.658 4.850 -2.892 63 H VAL 10 HN VAL 10 -9.702 1.409 -3.697 64 HA VAL 10 HA VAL 10 -9.228 0.900 -6.483 65 HB VAL 10 HB VAL 10 -11.816 0.729 -5.036 66 HG11 VAL 10 1HG1 VAL 10 -12.695 -0.341 -6.914 67 HG12 VAL 10 2HG1 VAL 10 -11.096 -0.686 -7.571 68 HG13 VAL 10 3HG1 VAL 10 -11.724 0.959 -7.601 69 HG21 VAL 10 3HG2 VAL 10 -9.637 -1.269 -5.445 70 HG22 VAL 10 1HG2 VAL 10 -11.309 -1.783 -5.231 71 HG23 VAL 10 2HG2 VAL 10 -10.503 -0.856 -3.965 72 H ASP 11 HN ASP 11 -10.195 3.417 -4.433 73 HA ASP 11 HA ASP 11 -10.548 5.129 -6.756 74 HB2 ASP 11 2HB ASP 11 -12.828 4.366 -6.271 75 HB3 ASP 11 1HB ASP 11 -12.663 4.910 -4.607 76 H GLU 12 HN GLU 12 -10.417 4.883 -3.229 77 HA GLU 12 HA GLU 12 -8.759 7.252 -3.105 78 HB2 GLU 12 2HB GLU 12 -11.520 7.233 -1.891 79 HB3 GLU 12 1HB GLU 12 -10.266 8.371 -1.419 80 HG2 GLU 12 2HG GLU 12 -10.174 9.210 -3.721 81 HG3 GLU 12 1HG GLU 12 -11.454 8.083 -4.170 82 H ILE 13 HN ILE 13 -8.062 7.733 -0.812 83 HA ILE 13 HA ILE 13 -8.295 5.393 0.948 84 HB ILE 13 HB ILE 13 -5.933 5.190 1.324 85 HG12 ILE 13 2HG1 ILE 13 -5.408 7.637 1.225 86 HG13 ILE 13 1HG1 ILE 13 -4.274 6.656 0.299 87 HG21 ILE 13 1HG2 ILE 13 -5.654 5.519 -1.554 88 HG22 ILE 13 2HG2 ILE 13 -7.122 4.681 -1.081 89 HG23 ILE 13 3HG2 ILE 13 -5.566 4.066 -0.559 90 HD11 ILE 13 3HD1 ILE 13 -4.662 8.347 -1.178 91 HD12 ILE 13 1HD1 ILE 13 -6.327 8.579 -0.643 92 HD13 ILE 13 2HD1 ILE 13 -5.917 7.207 -1.671 93 H VAL 14 HN VAL 14 -6.675 6.146 3.004 94 HA VAL 14 HA VAL 14 -7.240 8.918 3.698 95 HB VAL 14 HB VAL 14 -8.260 6.597 5.347 96 HG11 VAL 14 1HG1 VAL 14 -9.012 8.258 6.971 97 HG12 VAL 14 2HG1 VAL 14 -8.259 9.540 6.023 98 HG13 VAL 14 3HG1 VAL 14 -7.258 8.306 6.789 99 HG21 VAL 14 3HG2 VAL 14 -9.712 7.232 3.488 100 HG22 VAL 14 1HG2 VAL 14 -9.710 8.902 4.048 101 HG23 VAL 14 2HG2 VAL 14 -10.446 7.640 5.037 102 H GLU 15 HN GLU 15 -6.172 5.871 5.194 103 HA GLU 15 HA GLU 15 -3.937 7.319 6.416 104 HB2 GLU 15 2HB GLU 15 -3.571 5.340 7.771 105 HB3 GLU 15 1HB GLU 15 -5.265 5.798 7.848 106 HG2 GLU 15 2HG GLU 15 -4.358 3.742 5.890 107 HG3 GLU 15 1HG GLU 15 -4.609 3.310 7.579 108 H LYS 16 HN LYS 16 -1.816 6.996 5.849 109 HA LYS 16 HA LYS 16 -1.139 4.847 3.994 110 HB2 LYS 16 2HB LYS 16 -0.022 6.591 2.481 111 HB3 LYS 16 1HB LYS 16 -1.772 6.436 2.384 112 HG2 LYS 16 2HG LYS 16 -2.087 8.416 3.675 113 HG3 LYS 16 1HG LYS 16 -0.363 8.513 4.041 114 HD2 LYS 16 2HD LYS 16 0.099 8.832 1.638 115 HD3 LYS 16 1HD LYS 16 -1.638 8.810 1.321 116 HE2 LYS 16 2HE LYS 16 -1.944 10.785 2.685 117 HE3 LYS 16 1HE LYS 16 -0.237 10.779 3.127 118 HZ1 LYS 16 3HZ LYS 16 -1.335 11.195 0.398 119 HZ2 LYS 16 1HZ LYS 16 0.312 11.132 0.785 120 HZ3 LYS 16 2HZ LYS 16 -0.653 12.382 1.391 121 H ARG 17 HN ARG 17 0.406 4.046 5.453 122 HA ARG 17 HA ARG 17 2.882 5.509 5.619 123 HE ARG 17 HE ARG 17 3.698 6.917 9.323 124 HB2 ARG 17 2HB ARG 17 1.269 4.974 8.108 125 HB3 ARG 17 1HB ARG 17 3.000 5.288 8.142 126 HG2 ARG 17 2HG ARG 17 2.620 7.472 7.110 127 HG3 ARG 17 1HG ARG 17 0.884 7.154 7.091 128 HD2 ARG 17 2HD ARG 17 1.503 8.557 8.987 129 HD3 ARG 17 1HD ARG 17 0.876 7.000 9.522 130 HH11 ARG 17 1HH1 ARG 17 1.125 8.183 11.299 131 HH12 ARG 17 2HH1 ARG 17 2.068 8.186 12.751 132 HH21 ARG 17 2HH2 ARG 17 4.241 7.469 12.712 133 HH22 ARG 17 1HH2 ARG 17 4.948 6.917 11.231 134 H GLY 18 HN GLY 18 3.848 3.727 4.564 135 HA2 GLY 18 2HA GLY 18 4.272 1.453 6.329 136 HA3 GLY 18 1HA GLY 18 3.447 1.106 4.829 137 H LYS 19 HN LYS 19 4.753 -0.001 3.669 138 HA LYS 19 HA LYS 19 7.508 0.904 3.272 139 HB2 LYS 19 2HB LYS 19 6.237 -1.811 3.294 140 HB3 LYS 19 1HB LYS 19 7.882 -1.541 2.730 141 HG2 LYS 19 2HG LYS 19 8.490 -0.659 4.924 142 HG3 LYS 19 1HG LYS 19 6.845 -0.962 5.490 143 HD2 LYS 19 2HD LYS 19 7.103 -3.314 5.097 144 HD3 LYS 19 1HD LYS 19 8.702 -3.057 4.400 145 HE2 LYS 19 2HE LYS 19 9.495 -2.195 6.559 146 HE3 LYS 19 1HE LYS 19 7.897 -2.463 7.252 147 HZ1 LYS 19 3HZ LYS 19 9.679 -4.574 6.164 148 HZ2 LYS 19 1HZ LYS 19 8.154 -4.825 6.854 149 HZ3 LYS 19 2HZ LYS 19 9.428 -4.249 7.805 150 H GLY 20 HN GLY 20 6.935 -1.523 1.110 151 HA2 GLY 20 2HA GLY 20 6.325 0.375 -1.001 152 HA3 GLY 20 1HA GLY 20 6.936 -1.266 -1.206 153 H LYS 21 HN LYS 21 5.359 -2.605 0.440 154 HA LYS 21 HA LYS 21 2.614 -2.250 -0.543 155 HB2 LYS 21 2HB LYS 21 3.790 -4.976 -0.156 156 HB3 LYS 21 1HB LYS 21 2.441 -4.490 -1.166 157 HG2 LYS 21 2HG LYS 21 5.298 -3.756 -1.737 158 HG3 LYS 21 1HG LYS 21 4.503 -5.186 -2.393 159 HD2 LYS 21 2HD LYS 21 2.859 -3.790 -3.504 160 HD3 LYS 21 1HD LYS 21 3.575 -2.344 -2.793 161 HE2 LYS 21 2HE LYS 21 5.751 -3.218 -3.949 162 HE3 LYS 21 1HE LYS 21 4.619 -4.118 -4.954 163 HZ1 LYS 21 3HZ LYS 21 3.531 -2.031 -5.520 164 HZ2 LYS 21 1HZ LYS 21 5.167 -1.995 -5.949 165 HZ3 LYS 21 2HZ LYS 21 4.635 -1.174 -4.570 166 H ASP 22 HN ASP 22 4.554 -2.344 2.153 167 HA ASP 22 HA ASP 22 2.877 -3.945 3.828 168 HB2 ASP 22 2HB ASP 22 5.447 -3.785 4.015 169 HB3 ASP 22 1HB ASP 22 5.144 -2.236 4.782 170 H VAL 23 HN VAL 23 2.367 -1.124 2.610 171 HA VAL 23 HA VAL 23 1.740 0.353 4.996 172 HB VAL 23 HB VAL 23 2.701 1.369 2.919 173 HG11 VAL 23 1HG1 VAL 23 1.456 0.368 1.175 174 HG12 VAL 23 2HG1 VAL 23 0.931 2.047 1.228 175 HG13 VAL 23 3HG1 VAL 23 -0.085 0.795 1.915 176 HG21 VAL 23 3HG2 VAL 23 1.860 3.366 3.535 177 HG22 VAL 23 1HG2 VAL 23 1.158 2.409 4.838 178 HG23 VAL 23 2HG2 VAL 23 0.187 2.818 3.425 179 H GLU 24 HN GLU 24 -0.287 1.170 5.482 180 HA GLU 24 HA GLU 24 -2.484 -0.546 4.569 181 HB2 GLU 24 2HB GLU 24 -3.661 0.337 6.630 182 HB3 GLU 24 1HB GLU 24 -2.288 -0.715 6.928 183 HG2 GLU 24 2HG GLU 24 -0.889 1.234 7.384 184 HG3 GLU 24 1HG GLU 24 -2.266 2.291 7.076 185 H TYR 25 HN TYR 25 -3.722 0.384 3.077 186 HA TYR 25 HA TYR 25 -4.175 3.278 3.200 187 HD1 TYR 25 HD1 TYR 25 -3.846 4.802 -0.136 188 HD2 TYR 25 HD2 TYR 25 -1.340 2.269 2.173 189 HE1 TYR 25 HE1 TYR 25 -1.973 6.366 -0.428 190 HE2 TYR 25 HE2 TYR 25 0.526 3.824 1.894 191 HH TYR 25 HH TYR 25 1.220 5.586 0.300 192 HB2 TYR 25 2HB TYR 25 -3.569 1.480 0.913 193 HB3 TYR 25 1HB TYR 25 -4.708 2.791 0.634 194 H LEU 26 HN LEU 26 -6.279 3.995 2.703 195 HA LEU 26 HA LEU 26 -8.345 2.032 3.232 196 HG LEU 26 HG LEU 26 -10.660 3.321 2.935 197 HB2 LEU 26 2HB LEU 26 -8.625 4.010 4.502 198 HB3 LEU 26 1HB LEU 26 -8.267 5.037 3.131 199 HD11 LEU 26 1HD1 LEU 26 -11.116 4.031 5.100 200 HD12 LEU 26 2HD1 LEU 26 -11.958 5.200 4.082 201 HD13 LEU 26 3HD1 LEU 26 -10.414 5.623 4.820 202 HD21 LEU 26 3HD2 LEU 26 -11.527 5.501 1.937 203 HD22 LEU 26 1HD2 LEU 26 -10.293 4.607 1.047 204 HD23 LEU 26 2HD2 LEU 26 -9.844 6.028 1.988 205 H VAL 27 HN VAL 27 -10.236 1.870 1.850 206 HA VAL 27 HA VAL 27 -9.824 2.967 -0.792 207 HB VAL 27 HB VAL 27 -9.290 1.185 -1.825 208 HG11 VAL 27 1HG1 VAL 27 -8.574 -0.856 -0.640 209 HG12 VAL 27 2HG1 VAL 27 -9.311 -0.212 0.826 210 HG13 VAL 27 3HG1 VAL 27 -7.956 0.633 0.076 211 HG21 VAL 27 3HG2 VAL 27 -11.617 -0.255 -0.603 212 HG22 VAL 27 1HG2 VAL 27 -10.574 -0.949 -1.839 213 HG23 VAL 27 2HG2 VAL 27 -11.532 0.486 -2.196 214 H ARG 28 HN ARG 28 -11.458 4.141 -1.179 215 HA ARG 28 HA ARG 28 -14.126 3.350 -0.399 216 HE ARG 28 HE ARG 28 -15.614 6.895 -0.260 217 HB2 ARG 28 2HB ARG 28 -13.352 5.528 -2.320 218 HB3 ARG 28 1HB ARG 28 -14.851 5.402 -1.414 219 HG2 ARG 28 2HG ARG 28 -13.537 5.741 0.677 220 HG3 ARG 28 1HG ARG 28 -12.120 6.053 -0.327 221 HD2 ARG 28 2HD ARG 28 -13.203 8.132 0.379 222 HD3 ARG 28 1HD ARG 28 -13.255 7.935 -1.373 223 HH11 ARG 28 1HH1 ARG 28 -14.010 9.942 -0.778 224 HH12 ARG 28 2HH1 ARG 28 -15.482 10.848 -0.886 225 HH21 ARG 28 2HH2 ARG 28 -17.503 9.786 -0.664 226 HH22 ARG 28 1HH2 ARG 28 -17.561 8.076 -0.395 227 H TRP 29 HN TRP 29 -13.660 1.324 -1.434 228 HA TRP 29 HA TRP 29 -13.076 0.452 -3.787 229 HD1 TRP 29 HD1 TRP 29 -13.089 -1.027 -5.147 230 HE1 TRP 29 HE1 TRP 29 -13.208 -3.461 -5.975 231 HE3 TRP 29 HE3 TRP 29 -16.465 -2.867 -1.778 232 HZ2 TRP 29 HZ2 TRP 29 -14.555 -5.845 -5.292 233 HZ3 TRP 29 HZ3 TRP 29 -17.117 -5.235 -1.935 234 HH2 TRP 29 HH2 TRP 29 -16.182 -6.692 -3.657 235 HB2 TRP 29 2HB TRP 29 -14.447 -0.621 -1.864 236 HB3 TRP 29 1HB TRP 29 -15.834 -0.261 -2.883 237 H LYS 30 HN LYS 30 -13.102 2.014 -5.328 238 HA LYS 30 HA LYS 30 -14.852 3.638 -6.455 239 HB2 LYS 30 2HB LYS 30 -12.784 2.990 -7.597 240 HB3 LYS 30 1HB LYS 30 -13.518 1.470 -8.080 241 HG2 LYS 30 2HG LYS 30 -13.478 3.100 -9.901 242 HG3 LYS 30 1HG LYS 30 -15.122 2.641 -9.455 243 HD2 LYS 30 2HD LYS 30 -15.374 4.693 -8.178 244 HD3 LYS 30 1HD LYS 30 -13.704 5.140 -8.534 245 HE2 LYS 30 2HE LYS 30 -15.311 6.319 -9.974 246 HE3 LYS 30 1HE LYS 30 -14.215 5.291 -10.897 247 HZ1 LYS 30 3HZ LYS 30 -17.003 4.600 -10.138 248 HZ2 LYS 30 1HZ LYS 30 -15.952 3.617 -11.029 249 HZ3 LYS 30 2HZ LYS 30 -16.491 5.085 -11.676 250 H ASP 31 HN ASP 31 -15.319 0.147 -6.581 251 HA ASP 31 HA ASP 31 -18.037 0.600 -7.625 252 HB2 ASP 31 2HB ASP 31 -16.290 -1.858 -7.923 253 HB3 ASP 31 1HB ASP 31 -17.941 -1.702 -8.518 254 H GLY 32 HN GLY 32 -17.983 1.036 -5.089 255 HA2 GLY 32 2HA GLY 32 -19.200 -1.332 -3.885 256 HA3 GLY 32 1HA GLY 32 -17.814 -0.632 -3.055 257 H GLY 33 HN GLY 33 -18.794 0.089 -1.235 258 HA2 GLY 33 2HA GLY 33 -20.511 2.427 -1.552 259 HA3 GLY 33 1HA GLY 33 -21.183 1.077 -0.651 260 H ASP 34 HN ASP 34 -19.067 0.202 0.822 261 HA ASP 34 HA ASP 34 -18.741 2.413 2.697 262 HB2 ASP 34 2HB ASP 34 -18.073 -0.519 3.033 263 HB3 ASP 34 1HB ASP 34 -18.066 0.700 4.304 264 H CYS 35 HN CYS 35 -16.630 2.621 3.838 265 HA CYS 35 HA CYS 35 -14.390 2.157 1.982 266 HG CYS 35 HG CYS 35 -14.425 6.114 4.460 267 HB2 CYS 35 2HB CYS 35 -13.383 4.239 2.845 268 HB3 CYS 35 1HB CYS 35 -14.938 4.528 2.074 269 H GLU 36 HN GLU 36 -13.171 0.573 2.781 270 HA GLU 36 HA GLU 36 -12.675 0.512 5.679 271 HB2 GLU 36 2HB GLU 36 -12.863 -1.668 3.626 272 HB3 GLU 36 1HB GLU 36 -11.984 -1.925 5.123 273 HG2 GLU 36 2HG GLU 36 -14.889 -1.192 4.854 274 HG3 GLU 36 1HG GLU 36 -14.239 -2.766 5.307 275 H TRP 37 HN TRP 37 -10.487 -0.824 6.053 276 HA TRP 37 HA TRP 37 -8.438 0.695 4.613 277 HD1 TRP 37 HD1 TRP 37 -9.185 2.541 5.642 278 HE1 TRP 37 HE1 TRP 37 -9.936 4.169 7.490 279 HE3 TRP 37 HE3 TRP 37 -7.924 -0.244 9.742 280 HZ2 TRP 37 HZ2 TRP 37 -9.984 4.262 10.311 281 HZ3 TRP 37 HZ3 TRP 37 -8.354 0.689 11.978 282 HH2 TRP 37 HH2 TRP 37 -9.362 2.894 12.256 283 HB2 TRP 37 2HB TRP 37 -8.266 -0.794 7.237 284 HB3 TRP 37 1HB TRP 37 -6.995 0.190 6.526 285 H VAL 38 HN VAL 38 -6.574 -0.268 3.800 286 HA VAL 38 HA VAL 38 -6.900 -3.055 3.029 287 HB VAL 38 HB VAL 38 -4.715 -1.125 2.236 288 HG11 VAL 38 1HG1 VAL 38 -4.506 -2.779 0.319 289 HG12 VAL 38 2HG1 VAL 38 -5.503 -3.867 1.281 290 HG13 VAL 38 3HG1 VAL 38 -3.940 -3.329 1.894 291 HG21 VAL 38 3HG2 VAL 38 -6.918 -1.942 0.408 292 HG22 VAL 38 1HG2 VAL 38 -5.941 -0.475 0.408 293 HG23 VAL 38 2HG2 VAL 38 -7.229 -0.681 1.597 294 H LYS 39 HN LYS 39 -5.021 -4.542 3.193 295 HA LYS 39 HA LYS 39 -4.083 -4.563 5.866 296 HB2 LYS 39 2HB LYS 39 -4.676 -6.556 4.329 297 HB3 LYS 39 1HB LYS 39 -3.036 -6.378 3.723 298 HG2 LYS 39 2HG LYS 39 -3.033 -8.065 5.402 299 HG3 LYS 39 1HG LYS 39 -2.216 -6.644 6.059 300 HD2 LYS 39 2HD LYS 39 -4.196 -6.027 7.296 301 HD3 LYS 39 1HD LYS 39 -5.110 -7.340 6.552 302 HE2 LYS 39 2HE LYS 39 -3.578 -8.961 7.605 303 HE3 LYS 39 1HE LYS 39 -2.741 -7.627 8.397 304 HZ1 LYS 39 3HZ LYS 39 -5.592 -8.367 8.782 305 HZ2 LYS 39 1HZ LYS 39 -4.810 -7.062 9.526 306 HZ3 LYS 39 2HZ LYS 39 -4.337 -8.646 9.881 307 H GLY 40 HN GLY 40 -2.642 -3.114 6.470 308 HA2 GLY 40 2HA GLY 40 -0.362 -2.524 4.766 309 HA3 GLY 40 1HA GLY 40 -0.784 -1.690 6.249 310 H VAL 41 HN VAL 41 -0.353 -5.150 5.693 311 HA VAL 41 HA VAL 41 1.936 -5.084 7.553 312 HB VAL 41 HB VAL 41 0.349 -7.571 7.110 313 HG11 VAL 41 1HG1 VAL 41 2.492 -7.655 8.295 314 HG12 VAL 41 2HG1 VAL 41 1.145 -8.115 9.337 315 HG13 VAL 41 3HG1 VAL 41 1.869 -6.514 9.488 316 HG21 VAL 41 3HG2 VAL 41 -1.036 -6.986 9.100 317 HG22 VAL 41 1HG2 VAL 41 -1.370 -5.984 7.687 318 HG23 VAL 41 2HG2 VAL 41 -0.394 -5.346 9.010 319 H HIS 42 HN HIS 42 1.423 -5.140 4.415 320 HA HIS 42 HA HIS 42 2.766 -7.558 3.683 321 HD1 HIS 42 HD1 HIS 42 -0.037 -8.094 2.231 322 HD2 HIS 42 HD2 HIS 42 3.461 -7.777 0.014 323 HE1 HIS 42 HE1 HIS 42 -0.016 -10.103 0.720 324 HE2 HIS 42 HE2 HIS 42 2.180 -9.962 -0.507 325 HB2 HIS 42 2HB HIS 42 1.122 -5.745 2.341 326 HB3 HIS 42 1HB HIS 42 2.705 -5.610 1.565 327 H VAL 43 HN VAL 43 4.489 -7.335 5.001 328 HA VAL 43 HA VAL 43 6.440 -5.369 4.905 329 HB VAL 43 HB VAL 43 6.765 -8.310 5.489 330 HG11 VAL 43 1HG1 VAL 43 8.677 -7.071 6.965 331 HG12 VAL 43 2HG1 VAL 43 8.692 -6.096 5.494 332 HG13 VAL 43 3HG1 VAL 43 8.958 -7.835 5.401 333 HG21 VAL 43 3HG2 VAL 43 6.451 -7.765 7.778 334 HG22 VAL 43 1HG2 VAL 43 5.128 -7.017 6.885 335 HG23 VAL 43 2HG2 VAL 43 6.485 -6.035 7.439 336 H ALA 44 HN ALA 44 6.341 -4.985 2.541 337 HA ALA 44 HA ALA 44 8.091 -6.736 1.013 338 HB1 ALA 44 3HB ALA 44 6.012 -5.809 -0.021 339 HB2 ALA 44 1HB ALA 44 7.482 -5.414 -0.911 340 HB3 ALA 44 2HB ALA 44 6.719 -4.199 0.114 341 H GLU 45 HN GLU 45 9.414 -5.799 3.069 342 HA GLU 45 HA GLU 45 10.601 -3.366 3.190 343 HB2 GLU 45 2HB GLU 45 12.380 -4.337 4.377 344 HB3 GLU 45 1HB GLU 45 11.032 -5.431 4.644 345 HG2 GLU 45 2HG GLU 45 11.924 -6.948 2.938 346 HG3 GLU 45 1HG GLU 45 13.271 -5.844 2.669 347 H ASP 46 HN ASP 46 11.141 -5.831 0.825 348 HA ASP 46 HA ASP 46 13.523 -4.757 -0.323 349 HB2 ASP 46 2HB ASP 46 13.063 -6.225 -2.205 350 HB3 ASP 46 1HB ASP 46 12.765 -7.086 -0.697 351 H VAL 47 HN VAL 47 10.083 -4.437 -1.131 352 HA VAL 47 HA VAL 47 10.447 -2.790 -3.378 353 HB VAL 47 HB VAL 47 8.113 -2.777 -1.459 354 HG11 VAL 47 1HG1 VAL 47 8.152 -2.038 -4.376 355 HG12 VAL 47 2HG1 VAL 47 8.323 -0.859 -3.076 356 HG13 VAL 47 3HG1 VAL 47 6.844 -1.807 -3.216 357 HG21 VAL 47 3HG2 VAL 47 7.102 -4.444 -2.848 358 HG22 VAL 47 1HG2 VAL 47 8.700 -5.019 -2.380 359 HG23 VAL 47 2HG2 VAL 47 8.438 -4.369 -3.997 360 H ALA 48 HN ALA 48 10.135 -2.088 0.001 361 HA ALA 48 HA ALA 48 10.080 0.724 -0.031 362 HB1 ALA 48 3HB ALA 48 10.603 0.521 2.373 363 HB2 ALA 48 1HB ALA 48 10.811 -1.217 2.147 364 HB3 ALA 48 2HB ALA 48 9.237 -0.473 1.865 365 H LYS 49 HN LYS 49 12.673 -1.554 0.926 366 HA LYS 49 HA LYS 49 14.685 0.403 1.128 367 HB2 LYS 49 2HB LYS 49 14.875 -2.561 0.556 368 HB3 LYS 49 1HB LYS 49 16.266 -1.537 0.886 369 HG2 LYS 49 2HG LYS 49 13.998 -2.184 2.752 370 HG3 LYS 49 1HG LYS 49 15.683 -2.688 2.891 371 HD2 LYS 49 2HD LYS 49 15.759 -0.920 4.311 372 HD3 LYS 49 1HD LYS 49 16.040 -0.041 2.809 373 HE2 LYS 49 2HE LYS 49 13.547 0.308 2.681 374 HE3 LYS 49 1HE LYS 49 13.451 -0.340 4.316 375 HZ1 LYS 49 3HZ LYS 49 13.526 2.065 4.343 376 HZ2 LYS 49 1HZ LYS 49 14.988 2.064 3.489 377 HZ3 LYS 49 2HZ LYS 49 14.924 1.436 5.058 378 H ASP 50 HN ASP 50 13.316 -1.313 -1.537 379 HA ASP 50 HA ASP 50 15.355 -0.375 -3.387 380 HB2 ASP 50 2HB ASP 50 14.273 -2.728 -3.413 381 HB3 ASP 50 1HB ASP 50 12.878 -1.918 -4.131 382 H TYR 51 HN TYR 51 12.362 0.616 -2.112 383 HA TYR 51 HA TYR 51 11.482 2.060 -4.386 384 HD1 TYR 51 HD1 TYR 51 10.419 0.704 -4.948 385 HD2 TYR 51 HD2 TYR 51 7.613 2.212 -2.118 386 HE1 TYR 51 HE1 TYR 51 8.587 -0.298 -6.231 387 HE2 TYR 51 HE2 TYR 51 5.781 1.211 -3.400 388 HH TYR 51 HH TYR 51 6.291 -1.055 -5.883 389 HB2 TYR 51 2HB TYR 51 10.425 1.552 -1.734 390 HB3 TYR 51 1HB TYR 51 10.034 3.134 -2.360 391 H GLU 52 HN GLU 52 12.162 3.063 -1.087 392 HA GLU 52 HA GLU 52 12.797 5.747 -1.932 393 HB2 GLU 52 2HB GLU 52 12.882 6.295 0.406 394 HB3 GLU 52 1HB GLU 52 11.472 5.282 0.124 395 HG2 GLU 52 2HG GLU 52 12.726 3.338 0.951 396 HG3 GLU 52 1HG GLU 52 14.104 4.387 1.279 397 H ASP 53 HN ASP 53 14.448 3.073 -0.322 398 HA ASP 53 HA ASP 53 16.988 4.436 -0.352 399 HB2 ASP 53 2HB ASP 53 16.599 3.065 1.537 400 HB3 ASP 53 1HB ASP 53 16.078 1.708 0.550 401 H GLY 54 HN GLY 54 15.230 2.472 -2.528 402 HA2 GLY 54 2HA GLY 54 17.508 1.313 -3.852 403 HA3 GLY 54 1HA GLY 54 15.846 1.298 -4.425 404 H LEU 55 HN LEU 55 15.462 4.135 -4.318 405 HA LEU 55 HA LEU 55 16.763 4.838 -6.810 406 HG LEU 55 HG LEU 55 15.483 6.535 -8.125 407 HB2 LEU 55 2HB LEU 55 14.321 5.247 -6.311 408 HB3 LEU 55 1HB LEU 55 14.832 6.484 -5.180 409 HD11 LEU 55 1HD1 LEU 55 13.740 8.244 -8.303 410 HD12 LEU 55 2HD1 LEU 55 13.301 7.967 -6.617 411 HD13 LEU 55 3HD1 LEU 55 13.079 6.685 -7.808 412 HD21 LEU 55 3HD2 LEU 55 15.868 8.467 -5.859 413 HD22 LEU 55 1HD2 LEU 55 15.837 8.992 -7.543 414 HD23 LEU 55 2HD2 LEU 55 17.064 7.849 -6.998 415 H GLU 56 HN GLU 56 16.334 6.460 -3.660 416 HA GLU 56 HA GLU 56 18.655 8.125 -4.189 417 HB2 GLU 56 2HB GLU 56 16.796 8.076 -1.821 418 HB3 GLU 56 1HB GLU 56 18.047 9.271 -2.106 419 HG2 GLU 56 2HG GLU 56 16.891 9.991 -4.137 420 HG3 GLU 56 1HG GLU 56 15.629 8.798 -3.834 421 H TYR 57 HN TYR 57 19.802 5.878 -4.168 422 HA TYR 57 HA TYR 57 20.475 4.983 -1.483 423 HD1 TYR 57 HD1 TYR 57 20.586 1.945 -1.265 424 HD2 TYR 57 HD2 TYR 57 23.738 3.665 -3.547 425 HE1 TYR 57 HE1 TYR 57 22.201 0.475 -0.133 426 HE2 TYR 57 HE2 TYR 57 25.361 2.198 -2.423 427 HH TYR 57 HH TYR 57 24.436 -0.470 -0.547 428 HB2 TYR 57 2HB TYR 57 20.106 3.292 -3.219 429 HB3 TYR 57 1HB TYR 57 21.405 3.986 -4.185 430 HA ALA 1 HA ALA 1 -13.283 -6.699 7.160 431 H1 ALA 1 1H ALA 1 -14.906 -9.164 6.913 432 H2 ALA 1 2H ALA 1 -15.177 -7.915 8.020 433 H3 ALA 1 3H ALA 1 -13.764 -8.840 8.119 434 HB1 ALA 1 3HB ALA 1 -12.156 -7.463 5.142 435 HB2 ALA 1 1HB ALA 1 -13.138 -8.929 5.135 436 HB3 ALA 1 2HB ALA 1 -11.985 -8.646 6.439 437 HA PRO 2 HA PRO 2 -17.326 -5.582 5.139 438 HB2 PRO 2 1HB PRO 2 -17.786 -3.506 6.026 439 HB3 PRO 2 2HB PRO 2 -16.117 -2.950 5.854 440 HG2 PRO 2 2HG PRO 2 -16.191 -3.356 8.148 441 HG3 PRO 2 1HG PRO 2 -17.330 -4.703 7.962 442 HD2 PRO 2 2HD PRO 2 -14.372 -4.649 7.564 443 HD3 PRO 2 1HD PRO 2 -15.405 -5.947 8.198 444 HA PRO 3 HA PRO 3 -15.726 -4.857 1.080 445 HB2 PRO 3 1HB PRO 3 -17.529 -4.260 -0.218 446 HB3 PRO 3 2HB PRO 3 -17.971 -2.913 0.836 447 HG2 PRO 3 2HG PRO 3 -19.609 -4.445 1.439 448 HG3 PRO 3 1HG PRO 3 -18.547 -5.834 1.142 449 HD2 PRO 3 2HD PRO 3 -18.711 -4.044 3.519 450 HD3 PRO 3 1HD PRO 3 -18.337 -5.776 3.432 451 H GLY 4 HN GLY 4 -13.999 -3.643 0.662 452 HA2 GLY 4 2HA GLY 4 -13.721 -1.094 0.033 453 HA3 GLY 4 1HA GLY 4 -13.821 -0.949 1.780 454 H THR 5 HN THR 5 -12.087 -2.873 -0.663 455 HA THR 5 HA THR 5 -9.567 -2.161 0.566 456 HB THR 5 HB THR 5 -10.067 -4.080 1.909 457 HG1 THR 5 HG1 THR 5 -8.027 -4.515 1.555 458 HG21 THR 5 3HG2 THR 5 -10.581 -6.270 0.941 459 HG22 THR 5 1HG2 THR 5 -10.571 -5.562 -0.675 460 HG23 THR 5 2HG2 THR 5 -11.799 -5.075 0.494 461 H ALA 6 HN ALA 6 -7.730 -3.375 -0.601 462 HA ALA 6 HA ALA 6 -8.109 -4.254 -3.263 463 HB1 ALA 6 3HB ALA 6 -8.276 -2.317 -4.346 464 HB2 ALA 6 1HB ALA 6 -6.623 -1.962 -3.844 465 HB3 ALA 6 2HB ALA 6 -7.981 -1.402 -2.867 466 H ARG 7 HN ARG 7 -5.751 -3.811 -4.439 467 HA ARG 7 HA ARG 7 -3.717 -4.512 -2.432 468 HE ARG 7 HE ARG 7 -2.872 -6.744 -6.658 469 HB2 ARG 7 2HB ARG 7 -4.388 -6.567 -3.472 470 HB3 ARG 7 1HB ARG 7 -4.269 -5.857 -5.076 471 HG2 ARG 7 2HG ARG 7 -1.838 -5.626 -4.763 472 HG3 ARG 7 1HG ARG 7 -1.990 -6.421 -3.194 473 HD2 ARG 7 2HD ARG 7 -1.306 -8.047 -4.827 474 HD3 ARG 7 1HD ARG 7 -2.967 -8.387 -4.339 475 HH11 ARG 7 1HH1 ARG 7 -2.524 -10.027 -5.554 476 HH12 ARG 7 2HH1 ARG 7 -2.987 -10.724 -7.070 477 HH21 ARG 7 2HH2 ARG 7 -3.529 -9.372 -8.837 478 HH22 ARG 7 1HH2 ARG 7 -3.482 -7.649 -8.660 479 H ARG 8 HN ARG 8 -1.947 -3.266 -2.529 480 HA ARG 8 HA ARG 8 -1.591 -1.120 -4.180 481 HE ARG 8 HE ARG 8 0.282 -4.982 -0.539 482 HB2 ARG 8 2HB ARG 8 0.968 -1.597 -3.671 483 HB3 ARG 8 1HB ARG 8 -0.133 -1.038 -2.421 484 HG2 ARG 8 2HG ARG 8 -0.030 -3.945 -2.679 485 HG3 ARG 8 1HG ARG 8 1.510 -3.206 -2.245 486 HD2 ARG 8 2HD ARG 8 0.670 -2.320 -0.270 487 HD3 ARG 8 1HD ARG 8 -1.000 -2.428 -0.820 488 HH11 ARG 8 1HH1 ARG 8 -1.461 -2.458 1.107 489 HH12 ARG 8 2HH1 ARG 8 -2.067 -3.506 2.345 490 HH21 ARG 8 2HH2 ARG 8 -1.542 -5.732 2.328 491 HH22 ARG 8 1HH2 ARG 8 -0.525 -6.377 1.083 492 H LYS 9 HN LYS 9 0.288 -4.138 -4.551 493 HA LYS 9 HA LYS 9 -0.046 -4.081 -7.413 494 HB2 LYS 9 2HB LYS 9 2.681 -3.655 -6.175 495 HB3 LYS 9 1HB LYS 9 2.388 -3.968 -7.879 496 HG2 LYS 9 2HG LYS 9 0.923 -1.879 -7.835 497 HG3 LYS 9 1HG LYS 9 1.682 -1.536 -6.280 498 HD2 LYS 9 2HD LYS 9 2.874 -0.365 -8.017 499 HD3 LYS 9 1HD LYS 9 3.898 -1.656 -7.386 500 HE2 LYS 9 2HE LYS 9 3.351 -3.060 -9.285 501 HE3 LYS 9 1HE LYS 9 2.234 -1.840 -9.895 502 HZ1 LYS 9 3HZ LYS 9 4.355 -1.766 -11.049 503 HZ2 LYS 9 1HZ LYS 9 5.170 -1.496 -9.590 504 HZ3 LYS 9 2HZ LYS 9 4.098 -0.333 -10.188 505 H ARG 10 HN ARG 10 2.003 -5.801 -8.149 506 HA ARG 10 HA ARG 10 1.075 -8.302 -7.651 507 HE ARG 10 HE ARG 10 5.251 -9.724 -7.978 508 HB2 ARG 10 2HB ARG 10 3.292 -9.149 -8.300 509 HB3 ARG 10 1HB ARG 10 2.766 -7.832 -9.340 510 HG2 ARG 10 2HG ARG 10 4.232 -6.293 -8.260 511 HG3 ARG 10 1HG ARG 10 4.631 -7.472 -7.007 512 HD2 ARG 10 2HD ARG 10 5.270 -7.726 -9.946 513 HD3 ARG 10 1HD ARG 10 6.413 -7.287 -8.676 514 HH11 ARG 10 1HH1 ARG 10 7.342 -8.418 -10.438 515 HH12 ARG 10 2HH1 ARG 10 8.181 -9.910 -10.701 516 HH21 ARG 10 2HH2 ARG 10 7.615 -11.774 -9.493 517 HH22 ARG 10 1HH2 ARG 10 6.347 -11.693 -8.316 518 H LYS 11 HN LYS 11 3.082 -6.379 -5.564 519 HA LYS 11 HA LYS 11 3.593 -6.610 -3.357 520 HB2 LYS 11 2HB LYS 11 2.269 -9.321 -3.396 521 HB3 LYS 11 1HB LYS 11 2.597 -8.304 -2.001 522 HG2 LYS 11 2HG LYS 11 1.033 -6.608 -3.158 523 HG3 LYS 11 1HG LYS 11 0.498 -8.002 -4.100 524 HD2 LYS 11 2HD LYS 11 0.491 -7.804 -1.094 525 HD3 LYS 11 1HD LYS 11 -0.921 -7.636 -2.135 526 HE2 LYS 11 2HE LYS 11 0.809 -10.095 -1.890 527 HE3 LYS 11 1HE LYS 11 -0.781 -9.878 -1.160 528 HZ1 LYS 11 3HZ LYS 11 -0.217 -9.856 -4.077 529 HZ2 LYS 11 1HZ LYS 11 -1.741 -9.698 -3.358 530 HZ3 LYS 11 2HZ LYS 11 -0.888 -11.152 -3.221 531 H ALA 12 HN ALA 12 5.749 -6.734 -3.427 532 HA ALA 12 HA ALA 12 7.243 -8.857 -4.519 533 HB1 ALA 12 3HB ALA 12 8.097 -6.555 -4.173 534 HB2 ALA 12 1HB ALA 12 9.172 -7.802 -3.541 535 HB3 ALA 12 2HB ALA 12 8.154 -6.875 -2.439 536 H ASP 13 HN ASP 13 5.747 -8.430 -1.433 537 HA ASP 13 HA ASP 13 7.175 -10.780 -0.386 538 HB2 ASP 13 2HB ASP 13 7.410 -8.789 1.016 539 HB3 ASP 13 1HB ASP 13 5.659 -8.624 1.103 540 H SER 14 HN SER 14 5.446 -11.632 -2.104 541 HA SER 14 HA SER 14 2.779 -11.920 -1.089 542 HG SER 14 HG SER 14 1.862 -13.573 -3.981 543 HB2 SER 14 2HB SER 14 3.193 -11.905 -3.500 544 HB3 SER 14 1HB SER 14 4.191 -13.352 -3.353 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 8.505 2.474 -5.678 2 H2 GLY 1 2H GLY 1 8.266 1.688 -7.155 3 H3 GLY 1 3H GLY 1 8.172 3.374 -7.071 4 HA2 GLY 1 1HA GLY 1 10.625 1.791 -6.537 5 HA3 GLY 1 2HA GLY 1 10.269 2.587 -8.061 6 H SER 2 HN SER 2 9.525 3.908 -4.879 7 HA SER 2 HA SER 2 11.770 5.456 -4.423 8 HG SER 2 HG SER 2 12.003 8.194 -5.315 9 HB2 SER 2 2HB SER 2 11.444 6.554 -6.537 10 HB3 SER 2 1HB SER 2 9.744 6.848 -6.179 11 H GLN 3 HN GLN 3 8.283 5.236 -4.286 12 HA GLN 3 HA GLN 3 8.157 6.911 -1.931 13 HB2 GLN 3 2HB GLN 3 6.049 5.393 -3.423 14 HB3 GLN 3 1HB GLN 3 5.723 6.384 -2.014 15 HG2 GLN 3 2HG GLN 3 6.961 7.419 -4.554 16 HG3 GLN 3 1HG GLN 3 5.233 7.468 -4.205 17 HE21 GLN 3 2HE2 GLN 3 5.855 10.686 -3.019 18 HE22 GLN 3 1HE2 GLN 3 5.187 9.709 -4.277 19 H VAL 4 HN VAL 4 7.743 6.216 0.122 20 HA VAL 4 HA VAL 4 8.334 3.422 0.649 21 HB VAL 4 HB VAL 4 9.526 5.138 1.938 22 HG11 VAL 4 1HG1 VAL 4 7.818 6.864 1.973 23 HG12 VAL 4 2HG1 VAL 4 8.340 6.480 3.614 24 HG13 VAL 4 3HG1 VAL 4 6.803 5.862 3.011 25 HG21 VAL 4 3HG2 VAL 4 9.647 3.715 3.643 26 HG22 VAL 4 1HG2 VAL 4 8.284 2.854 2.929 27 HG23 VAL 4 2HG2 VAL 4 8.002 4.092 4.155 28 H PHE 5 HN PHE 5 5.931 3.635 -0.564 29 HA PHE 5 HA PHE 5 4.192 2.315 1.161 30 HD1 PHE 5 HD1 PHE 5 4.791 6.448 2.331 31 HD2 PHE 5 HD2 PHE 5 2.555 5.226 -1.078 32 HE1 PHE 5 HE1 PHE 5 5.105 8.674 1.332 33 HE2 PHE 5 HE2 PHE 5 2.866 7.450 -2.084 34 HZ PHE 5 HZ PHE 5 4.143 9.177 -0.878 35 HB2 PHE 5 2HB PHE 5 2.410 4.112 1.312 36 HB3 PHE 5 1HB PHE 5 3.825 4.366 2.321 37 H GLU 6 HN GLU 6 1.886 2.275 0.148 38 HA GLU 6 HA GLU 6 1.755 2.777 -2.674 39 HB2 GLU 6 2HB GLU 6 3.002 0.645 -2.533 40 HB3 GLU 6 1HB GLU 6 1.688 -0.065 -1.606 41 HG2 GLU 6 2HG GLU 6 1.487 0.944 -4.439 42 HG3 GLU 6 1HG GLU 6 1.693 -0.739 -3.963 43 H TYR 7 HN TYR 7 -0.334 3.311 -3.134 44 HA TYR 7 HA TYR 7 -2.301 2.931 -1.061 45 HD1 TYR 7 HD1 TYR 7 -0.430 5.034 -4.053 46 HD2 TYR 7 HD2 TYR 7 -4.557 4.109 -4.512 47 HE1 TYR 7 HE1 TYR 7 -0.228 5.364 -6.482 48 HE2 TYR 7 HE2 TYR 7 -4.367 4.434 -6.940 49 HH TYR 7 HH TYR 7 -1.379 4.675 -8.536 50 HB2 TYR 7 2HB TYR 7 -3.670 4.454 -2.362 51 HB3 TYR 7 1HB TYR 7 -2.067 5.127 -2.126 52 H ALA 8 HN ALA 8 -3.175 0.923 -1.016 53 HA ALA 8 HA ALA 8 -3.860 -0.387 -3.533 54 HB1 ALA 8 3HB ALA 8 -4.077 -2.337 -2.348 55 HB2 ALA 8 1HB ALA 8 -4.673 -1.516 -0.906 56 HB3 ALA 8 2HB ALA 8 -2.956 -1.471 -1.297 57 H GLU 9 HN GLU 9 -5.216 1.715 -3.734 58 HA GLU 9 HA GLU 9 -7.902 1.318 -2.612 59 HB2 GLU 9 2HB GLU 9 -7.479 3.352 -1.803 60 HB3 GLU 9 1HB GLU 9 -6.123 3.599 -2.884 61 HG2 GLU 9 2HG GLU 9 -8.985 3.963 -3.677 62 HG3 GLU 9 1HG GLU 9 -7.957 5.250 -3.071 63 H VAL 10 HN VAL 10 -9.659 1.610 -3.737 64 HA VAL 10 HA VAL 10 -9.466 1.000 -6.540 65 HB VAL 10 HB VAL 10 -11.860 1.217 -4.775 66 HG11 VAL 10 1HG1 VAL 10 -11.802 -0.364 -7.302 67 HG12 VAL 10 2HG1 VAL 10 -11.982 1.385 -7.402 68 HG13 VAL 10 3HG1 VAL 10 -13.164 0.430 -6.513 69 HG21 VAL 10 3HG2 VAL 10 -10.738 -1.377 -5.708 70 HG22 VAL 10 1HG2 VAL 10 -11.743 -1.029 -4.302 71 HG23 VAL 10 2HG2 VAL 10 -10.045 -0.571 -4.301 72 H ASP 11 HN ASP 11 -10.657 3.485 -4.410 73 HA ASP 11 HA ASP 11 -10.663 5.360 -6.656 74 HB2 ASP 11 2HB ASP 11 -12.999 4.559 -6.235 75 HB3 ASP 11 1HB ASP 11 -12.894 5.258 -4.627 76 H GLU 12 HN GLU 12 -10.576 4.861 -3.153 77 HA GLU 12 HA GLU 12 -8.978 7.248 -2.856 78 HB2 GLU 12 2HB GLU 12 -11.752 7.105 -1.691 79 HB3 GLU 12 1HB GLU 12 -10.514 8.169 -1.043 80 HG2 GLU 12 2HG GLU 12 -11.508 8.218 -3.883 81 HG3 GLU 12 1HG GLU 12 -12.054 9.296 -2.599 82 H ILE 13 HN ILE 13 -8.065 7.522 -0.747 83 HA ILE 13 HA ILE 13 -8.163 5.095 0.932 84 HB ILE 13 HB ILE 13 -5.754 5.224 1.342 85 HG12 ILE 13 2HG1 ILE 13 -5.651 7.757 1.123 86 HG13 ILE 13 1HG1 ILE 13 -4.328 6.888 0.351 87 HG21 ILE 13 1HG2 ILE 13 -6.687 5.181 -1.480 88 HG22 ILE 13 2HG2 ILE 13 -6.039 3.872 -0.491 89 HG23 ILE 13 3HG2 ILE 13 -4.966 5.102 -1.143 90 HD11 ILE 13 3HD1 ILE 13 -4.778 7.961 -1.528 91 HD12 ILE 13 1HD1 ILE 13 -6.192 8.720 -0.793 92 HD13 ILE 13 2HD1 ILE 13 -6.346 7.148 -1.586 93 H VAL 14 HN VAL 14 -6.485 5.986 2.956 94 HA VAL 14 HA VAL 14 -7.317 8.628 3.813 95 HB VAL 14 HB VAL 14 -8.056 6.160 5.402 96 HG11 VAL 14 1HG1 VAL 14 -8.963 7.715 7.061 97 HG12 VAL 14 2HG1 VAL 14 -8.355 9.077 6.120 98 HG13 VAL 14 3HG1 VAL 14 -7.225 7.940 6.857 99 HG21 VAL 14 3HG2 VAL 14 -10.355 6.972 5.151 100 HG22 VAL 14 1HG2 VAL 14 -9.612 6.636 3.588 101 HG23 VAL 14 2HG2 VAL 14 -9.773 8.301 4.147 102 H GLU 15 HN GLU 15 -5.799 5.585 4.768 103 HA GLU 15 HA GLU 15 -3.718 7.082 6.201 104 HB2 GLU 15 2HB GLU 15 -4.353 4.122 6.161 105 HB3 GLU 15 1HB GLU 15 -3.062 4.860 7.099 106 HG2 GLU 15 2HG GLU 15 -4.692 6.132 8.375 107 HG3 GLU 15 1HG GLU 15 -5.999 5.444 7.412 108 H LYS 16 HN LYS 16 -1.530 6.881 5.636 109 HA LYS 16 HA LYS 16 -0.809 5.154 3.424 110 HB2 LYS 16 2HB LYS 16 0.140 7.082 2.105 111 HB3 LYS 16 1HB LYS 16 -1.615 7.002 2.160 112 HG2 LYS 16 2HG LYS 16 -1.649 8.728 3.881 113 HG3 LYS 16 1HG LYS 16 0.112 8.808 3.839 114 HD2 LYS 16 2HD LYS 16 0.032 9.511 1.502 115 HD3 LYS 16 1HD LYS 16 -1.730 9.409 1.526 116 HE2 LYS 16 2HE LYS 16 -0.054 11.233 3.248 117 HE3 LYS 16 1HE LYS 16 -0.928 11.717 1.795 118 HZ1 LYS 16 3HZ LYS 16 -2.157 10.630 4.272 119 HZ2 LYS 16 1HZ LYS 16 -2.998 11.098 2.879 120 HZ3 LYS 16 2HZ LYS 16 -2.168 12.254 3.796 121 H ARG 17 HN ARG 17 0.600 4.312 5.231 122 HA ARG 17 HA ARG 17 3.155 5.695 5.202 123 HE ARG 17 HE ARG 17 3.188 8.143 8.565 124 HB2 ARG 17 2HB ARG 17 2.128 6.812 7.065 125 HB3 ARG 17 1HB ARG 17 1.606 5.283 7.759 126 HG2 ARG 17 2HG ARG 17 3.992 4.671 8.066 127 HG3 ARG 17 1HG ARG 17 4.430 6.289 7.509 128 HD2 ARG 17 2HD ARG 17 2.681 5.670 9.886 129 HD3 ARG 17 1HD ARG 17 4.384 6.120 9.965 130 HH11 ARG 17 1HH1 ARG 17 2.716 6.680 11.689 131 HH12 ARG 17 2HH1 ARG 17 2.133 8.134 12.427 132 HH21 ARG 17 2HH2 ARG 17 1.965 10.060 11.196 133 HH22 ARG 17 1HH2 ARG 17 2.421 10.065 9.525 134 H GLY 18 HN GLY 18 4.014 3.794 4.184 135 HA2 GLY 18 2HA GLY 18 4.543 1.684 6.119 136 HA3 GLY 18 1HA GLY 18 3.620 1.205 4.721 137 H LYS 19 HN LYS 19 4.857 -0.021 3.588 138 HA LYS 19 HA LYS 19 7.573 0.849 2.917 139 HB2 LYS 19 2HB LYS 19 6.319 -1.848 3.318 140 HB3 LYS 19 1HB LYS 19 7.899 -1.658 2.558 141 HG2 LYS 19 2HG LYS 19 8.797 -0.658 4.544 142 HG3 LYS 19 1HG LYS 19 7.203 -0.659 5.306 143 HD2 LYS 19 2HD LYS 19 7.153 -3.068 5.263 144 HD3 LYS 19 1HD LYS 19 8.700 -3.111 4.415 145 HE2 LYS 19 2HE LYS 19 8.254 -1.946 7.163 146 HE3 LYS 19 1HE LYS 19 8.917 -3.547 6.846 147 HZ1 LYS 19 3HZ LYS 19 10.663 -1.937 7.269 148 HZ2 LYS 19 1HZ LYS 19 10.125 -0.977 5.983 149 HZ3 LYS 19 2HZ LYS 19 10.764 -2.515 5.682 150 H GLY 20 HN GLY 20 6.783 -1.797 1.059 151 HA2 GLY 20 2HA GLY 20 6.117 -0.122 -1.217 152 HA3 GLY 20 1HA GLY 20 6.664 -1.799 -1.266 153 H LYS 21 HN LYS 21 5.143 -2.871 0.624 154 HA LYS 21 HA LYS 21 2.355 -2.441 -0.158 155 HB2 LYS 21 2HB LYS 21 4.003 -4.883 -0.467 156 HB3 LYS 21 1HB LYS 21 2.350 -5.115 0.092 157 HG2 LYS 21 2HG LYS 21 1.446 -4.185 -1.866 158 HG3 LYS 21 1HG LYS 21 2.996 -3.490 -2.347 159 HD2 LYS 21 2HD LYS 21 2.570 -6.454 -2.087 160 HD3 LYS 21 1HD LYS 21 2.236 -5.582 -3.584 161 HE2 LYS 21 2HE LYS 21 4.885 -5.639 -2.143 162 HE3 LYS 21 1HE LYS 21 4.479 -6.594 -3.568 163 HZ1 LYS 21 3HZ LYS 21 4.096 -4.489 -4.763 164 HZ2 LYS 21 1HZ LYS 21 5.694 -4.654 -4.230 165 HZ3 LYS 21 2HZ LYS 21 4.629 -3.633 -3.403 166 H ASP 22 HN ASP 22 4.507 -2.557 2.375 167 HA ASP 22 HA ASP 22 2.856 -3.903 4.276 168 HB2 ASP 22 2HB ASP 22 5.395 -3.867 4.354 169 HB3 ASP 22 1HB ASP 22 5.255 -2.195 4.858 170 H VAL 23 HN VAL 23 2.431 -1.156 2.843 171 HA VAL 23 HA VAL 23 1.885 0.556 5.079 172 HB VAL 23 HB VAL 23 2.831 1.404 2.984 173 HG11 VAL 23 1HG1 VAL 23 0.563 1.471 1.321 174 HG12 VAL 23 2HG1 VAL 23 0.740 -0.190 1.868 175 HG13 VAL 23 3HG1 VAL 23 2.077 0.614 1.060 176 HG21 VAL 23 3HG2 VAL 23 1.558 3.373 2.912 177 HG22 VAL 23 1HG2 VAL 23 1.301 2.728 4.529 178 HG23 VAL 23 2HG2 VAL 23 0.060 2.522 3.297 179 H GLU 24 HN GLU 24 -0.142 1.181 5.744 180 HA GLU 24 HA GLU 24 -2.302 -0.557 4.784 181 HB2 GLU 24 2HB GLU 24 -3.413 0.296 6.981 182 HB3 GLU 24 1HB GLU 24 -2.239 -1.007 7.024 183 HG2 GLU 24 2HG GLU 24 -0.493 0.632 7.628 184 HG3 GLU 24 1HG GLU 24 -1.727 1.892 7.659 185 H TYR 25 HN TYR 25 -3.172 0.592 3.162 186 HA TYR 25 HA TYR 25 -3.890 3.369 3.546 187 HD1 TYR 25 HD1 TYR 25 -3.882 5.009 0.529 188 HD2 TYR 25 HD2 TYR 25 -1.232 1.968 1.835 189 HE1 TYR 25 HE1 TYR 25 -1.980 6.422 -0.104 190 HE2 TYR 25 HE2 TYR 25 0.682 3.371 1.207 191 HH TYR 25 HH TYR 25 0.296 6.693 0.218 192 HB2 TYR 25 2HB TYR 25 -3.661 1.523 1.215 193 HB3 TYR 25 1HB TYR 25 -4.736 2.902 1.073 194 H LEU 26 HN LEU 26 -6.131 3.604 2.084 195 HA LEU 26 HA LEU 26 -8.124 1.797 3.246 196 HG LEU 26 HG LEU 26 -10.486 3.007 3.092 197 HB2 LEU 26 2HB LEU 26 -8.374 3.813 4.482 198 HB3 LEU 26 1HB LEU 26 -8.126 4.797 3.057 199 HD11 LEU 26 1HD1 LEU 26 -11.313 5.492 4.132 200 HD12 LEU 26 2HD1 LEU 26 -10.012 4.885 5.158 201 HD13 LEU 26 3HD1 LEU 26 -11.443 3.894 4.870 202 HD21 LEU 26 3HD2 LEU 26 -9.818 5.665 1.911 203 HD22 LEU 26 1HD2 LEU 26 -11.471 5.072 1.985 204 HD23 LEU 26 2HD2 LEU 26 -10.253 4.174 1.086 205 H VAL 27 HN VAL 27 -10.122 1.640 1.871 206 HA VAL 27 HA VAL 27 -9.677 2.729 -0.781 207 HB VAL 27 HB VAL 27 -9.476 0.902 -1.934 208 HG11 VAL 27 1HG1 VAL 27 -8.706 -0.186 0.755 209 HG12 VAL 27 2HG1 VAL 27 -7.676 0.685 -0.380 210 HG13 VAL 27 3HG1 VAL 27 -8.273 -0.923 -0.786 211 HG21 VAL 27 3HG2 VAL 27 -10.456 -1.380 -1.255 212 HG22 VAL 27 1HG2 VAL 27 -11.573 -0.118 -1.778 213 HG23 VAL 27 2HG2 VAL 27 -11.376 -0.463 -0.065 214 H ARG 28 HN ARG 28 -11.318 3.900 -1.256 215 HA ARG 28 HA ARG 28 -14.000 3.127 -0.421 216 HE ARG 28 HE ARG 28 -13.749 7.060 0.570 217 HB2 ARG 28 2HB ARG 28 -12.984 5.576 -0.558 218 HB3 ARG 28 1HB ARG 28 -13.443 5.415 -2.248 219 HG2 ARG 28 2HG ARG 28 -15.745 5.047 -1.642 220 HG3 ARG 28 1HG ARG 28 -15.326 5.076 0.072 221 HD2 ARG 28 2HD ARG 28 -15.021 7.367 -1.866 222 HD3 ARG 28 1HD ARG 28 -16.291 7.202 -0.655 223 HH11 ARG 28 1HH1 ARG 28 -15.948 9.314 -0.911 224 HH12 ARG 28 2HH1 ARG 28 -15.373 10.673 -0.005 225 HH21 ARG 28 2HH2 ARG 28 -13.683 10.404 1.521 226 HH22 ARG 28 1HH2 ARG 28 -12.980 8.841 1.772 227 H TRP 29 HN TRP 29 -13.869 1.198 -1.587 228 HA TRP 29 HA TRP 29 -13.355 0.440 -4.031 229 HD1 TRP 29 HD1 TRP 29 -13.350 -1.049 -5.332 230 HE1 TRP 29 HE1 TRP 29 -13.742 -3.391 -6.320 231 HE3 TRP 29 HE3 TRP 29 -17.243 -2.541 -2.371 232 HZ2 TRP 29 HZ2 TRP 29 -15.470 -5.582 -5.901 233 HZ3 TRP 29 HZ3 TRP 29 -18.207 -4.777 -2.730 234 HH2 TRP 29 HH2 TRP 29 -17.338 -6.264 -4.461 235 HB2 TRP 29 2HB TRP 29 -14.857 -0.606 -2.156 236 HB3 TRP 29 1HB TRP 29 -16.173 -0.051 -3.179 237 H LYS 30 HN LYS 30 -13.241 2.194 -5.433 238 HA LYS 30 HA LYS 30 -14.853 4.016 -6.414 239 HB2 LYS 30 2HB LYS 30 -12.839 3.266 -7.622 240 HB3 LYS 30 1HB LYS 30 -13.723 1.874 -8.226 241 HG2 LYS 30 2HG LYS 30 -15.307 3.473 -9.328 242 HG3 LYS 30 1HG LYS 30 -14.196 4.769 -8.881 243 HD2 LYS 30 2HD LYS 30 -13.518 2.375 -10.590 244 HD3 LYS 30 1HD LYS 30 -13.822 4.011 -11.180 245 HE2 LYS 30 2HE LYS 30 -11.911 4.802 -9.808 246 HE3 LYS 30 1HE LYS 30 -11.580 3.127 -9.372 247 HZ1 LYS 30 3HZ LYS 30 -10.184 3.870 -11.200 248 HZ2 LYS 30 1HZ LYS 30 -11.552 4.222 -12.131 249 HZ3 LYS 30 2HZ LYS 30 -11.210 2.623 -11.699 250 H ASP 31 HN ASP 31 -15.599 0.591 -6.805 251 HA ASP 31 HA ASP 31 -18.282 1.339 -7.776 252 HB2 ASP 31 2HB ASP 31 -16.981 0.060 -9.442 253 HB3 ASP 31 1HB ASP 31 -16.765 -1.236 -8.269 254 H GLY 32 HN GLY 32 -18.138 1.562 -5.200 255 HA2 GLY 32 2HA GLY 32 -19.554 -0.778 -4.168 256 HA3 GLY 32 1HA GLY 32 -18.100 -0.273 -3.312 257 H GLY 33 HN GLY 33 -19.633 -0.070 -1.506 258 HA2 GLY 33 2HA GLY 33 -20.574 2.687 -1.357 259 HA3 GLY 33 1HA GLY 33 -21.782 1.435 -1.110 260 H ASP 34 HN ASP 34 -18.419 1.258 -0.081 261 HA ASP 34 HA ASP 34 -19.177 1.774 2.686 262 HB2 ASP 34 2HB ASP 34 -17.808 -0.799 1.877 263 HB3 ASP 34 1HB ASP 34 -18.273 -0.319 3.507 264 H CYS 35 HN CYS 35 -16.901 0.983 3.963 265 HA CYS 35 HA CYS 35 -14.634 2.140 2.534 266 HG CYS 35 HG CYS 35 -16.253 2.012 6.105 267 HB2 CYS 35 2HB CYS 35 -14.121 3.673 4.400 268 HB3 CYS 35 1HB CYS 35 -15.653 4.064 3.626 269 H GLU 36 HN GLU 36 -13.101 0.652 2.718 270 HA GLU 36 HA GLU 36 -12.736 -0.676 5.325 271 HB2 GLU 36 2HB GLU 36 -12.239 -1.828 2.575 272 HB3 GLU 36 1HB GLU 36 -11.895 -2.642 4.094 273 HG2 GLU 36 2HG GLU 36 -14.621 -1.783 3.155 274 HG3 GLU 36 1HG GLU 36 -13.974 -3.420 3.069 275 H TRP 37 HN TRP 37 -10.406 -1.703 5.370 276 HA TRP 37 HA TRP 37 -8.529 0.386 4.487 277 HD1 TRP 37 HD1 TRP 37 -8.859 2.195 5.440 278 HE1 TRP 37 HE1 TRP 37 -9.683 3.843 7.237 279 HE3 TRP 37 HE3 TRP 37 -8.634 -0.877 9.520 280 HZ2 TRP 37 HZ2 TRP 37 -10.171 3.841 10.015 281 HZ3 TRP 37 HZ3 TRP 37 -9.297 0.026 11.711 282 HH2 TRP 37 HH2 TRP 37 -10.049 2.335 11.952 283 HB2 TRP 37 2HB TRP 37 -8.594 -1.283 6.992 284 HB3 TRP 37 1HB TRP 37 -7.149 -0.427 6.471 285 H VAL 38 HN VAL 38 -6.449 -0.223 3.840 286 HA VAL 38 HA VAL 38 -6.322 -2.844 2.598 287 HB VAL 38 HB VAL 38 -4.390 -0.538 2.476 288 HG11 VAL 38 1HG1 VAL 38 -3.357 -1.664 0.619 289 HG12 VAL 38 2HG1 VAL 38 -4.512 -2.989 0.744 290 HG13 VAL 38 3HG1 VAL 38 -3.339 -2.714 2.032 291 HG21 VAL 38 3HG2 VAL 38 -5.358 0.120 0.462 292 HG22 VAL 38 1HG2 VAL 38 -6.725 -0.213 1.524 293 HG23 VAL 38 2HG2 VAL 38 -6.247 -1.389 0.302 294 H LYS 39 HN LYS 39 -4.551 -4.277 2.870 295 HA LYS 39 HA LYS 39 -3.784 -4.546 5.589 296 HB2 LYS 39 2HB LYS 39 -4.284 -6.448 4.031 297 HB3 LYS 39 1HB LYS 39 -2.755 -6.116 3.231 298 HG2 LYS 39 2HG LYS 39 -2.392 -7.918 4.719 299 HG3 LYS 39 1HG LYS 39 -1.623 -6.499 5.433 300 HD2 LYS 39 2HD LYS 39 -3.439 -6.210 6.969 301 HD3 LYS 39 1HD LYS 39 -4.387 -7.460 6.162 302 HE2 LYS 39 2HE LYS 39 -1.770 -7.897 7.599 303 HE3 LYS 39 1HE LYS 39 -3.367 -8.269 8.247 304 HZ1 LYS 39 3HZ LYS 39 -3.684 -9.847 6.438 305 HZ2 LYS 39 1HZ LYS 39 -2.310 -10.238 7.344 306 HZ3 LYS 39 2HZ LYS 39 -2.144 -9.496 5.833 307 H GLY 40 HN GLY 40 -2.474 -2.963 6.285 308 HA2 GLY 40 2HA GLY 40 -0.016 -2.426 4.824 309 HA3 GLY 40 1HA GLY 40 -0.610 -1.511 6.196 310 H VAL 41 HN VAL 41 -0.165 -4.989 5.919 311 HA VAL 41 HA VAL 41 1.988 -4.811 7.925 312 HB VAL 41 HB VAL 41 0.503 -7.356 7.645 313 HG11 VAL 41 1HG1 VAL 41 0.941 -7.485 10.048 314 HG12 VAL 41 2HG1 VAL 41 1.617 -5.857 10.009 315 HG13 VAL 41 3HG1 VAL 41 2.412 -7.163 9.131 316 HG21 VAL 41 3HG2 VAL 41 -0.652 -4.993 9.133 317 HG22 VAL 41 1HG2 VAL 41 -1.236 -6.653 9.246 318 HG23 VAL 41 2HG2 VAL 41 -1.353 -5.780 7.719 319 H HIS 42 HN HIS 42 1.499 -5.252 4.759 320 HA HIS 42 HA HIS 42 2.988 -7.673 4.399 321 HD1 HIS 42 HD1 HIS 42 -0.602 -6.625 2.185 322 HD2 HIS 42 HD2 HIS 42 2.109 -9.663 3.017 323 HE1 HIS 42 HE1 HIS 42 -1.950 -8.748 2.186 324 HE2 HIS 42 HE2 HIS 42 -0.278 -10.580 2.630 325 HB2 HIS 42 2HB HIS 42 1.654 -5.751 2.569 326 HB3 HIS 42 1HB HIS 42 2.867 -6.848 1.917 327 H VAL 43 HN VAL 43 4.696 -7.192 5.562 328 HA VAL 43 HA VAL 43 6.501 -5.124 5.229 329 HB VAL 43 HB VAL 43 7.139 -7.969 5.987 330 HG11 VAL 43 1HG1 VAL 43 8.626 -5.417 6.576 331 HG12 VAL 43 2HG1 VAL 43 9.136 -6.666 5.447 332 HG13 VAL 43 3HG1 VAL 43 9.049 -7.019 7.171 333 HG21 VAL 43 3HG2 VAL 43 5.368 -7.062 7.378 334 HG22 VAL 43 1HG2 VAL 43 6.333 -5.623 7.702 335 HG23 VAL 43 2HG2 VAL 43 6.863 -7.193 8.301 336 H ALA 44 HN ALA 44 6.358 -4.885 2.880 337 HA ALA 44 HA ALA 44 8.048 -6.699 1.367 338 HB1 ALA 44 3HB ALA 44 6.639 -4.203 0.421 339 HB2 ALA 44 1HB ALA 44 5.935 -5.819 0.387 340 HB3 ALA 44 2HB ALA 44 7.363 -5.460 -0.580 341 H GLU 45 HN GLU 45 9.509 -5.701 3.285 342 HA GLU 45 HA GLU 45 10.724 -3.246 3.119 343 HB2 GLU 45 2HB GLU 45 11.226 -4.795 4.917 344 HB3 GLU 45 1HB GLU 45 11.971 -5.919 3.790 345 HG2 GLU 45 2HG GLU 45 13.733 -4.294 3.330 346 HG3 GLU 45 1HG GLU 45 12.985 -3.164 4.456 347 H ASP 46 HN ASP 46 11.018 -5.980 1.031 348 HA ASP 46 HA ASP 46 13.403 -5.171 -0.317 349 HB2 ASP 46 2HB ASP 46 11.148 -6.952 -1.262 350 HB3 ASP 46 1HB ASP 46 12.723 -6.802 -2.035 351 H VAL 47 HN VAL 47 9.937 -4.818 -1.015 352 HA VAL 47 HA VAL 47 10.248 -3.440 -3.452 353 HB VAL 47 HB VAL 47 7.990 -3.208 -1.447 354 HG11 VAL 47 1HG1 VAL 47 8.048 -1.389 -3.113 355 HG12 VAL 47 2HG1 VAL 47 6.646 -2.440 -3.309 356 HG13 VAL 47 3HG1 VAL 47 8.022 -2.593 -4.400 357 HG21 VAL 47 3HG2 VAL 47 6.883 -4.927 -2.723 358 HG22 VAL 47 1HG2 VAL 47 8.458 -5.520 -2.202 359 HG23 VAL 47 2HG2 VAL 47 8.222 -4.993 -3.869 360 H ALA 48 HN ALA 48 9.879 -2.344 -0.183 361 HA ALA 48 HA ALA 48 9.949 0.434 -0.529 362 HB1 ALA 48 3HB ALA 48 8.975 -0.493 1.438 363 HB2 ALA 48 1HB ALA 48 10.375 0.470 1.910 364 HB3 ALA 48 2HB ALA 48 10.489 -1.290 1.869 365 H LYS 49 HN LYS 49 12.410 -1.796 0.792 366 HA LYS 49 HA LYS 49 14.472 0.091 0.963 367 HB2 LYS 49 2HB LYS 49 14.451 -2.191 2.019 368 HB3 LYS 49 1HB LYS 49 14.792 -2.869 0.435 369 HG2 LYS 49 2HG LYS 49 16.602 -0.768 1.518 370 HG3 LYS 49 1HG LYS 49 16.710 -2.408 2.159 371 HD2 LYS 49 2HD LYS 49 16.903 -1.683 -0.765 372 HD3 LYS 49 1HD LYS 49 18.282 -1.980 0.292 373 HE2 LYS 49 2HE LYS 49 17.374 -4.255 0.733 374 HE3 LYS 49 1HE LYS 49 16.119 -3.941 -0.465 375 HZ1 LYS 49 3HZ LYS 49 19.042 -3.946 -0.993 376 HZ2 LYS 49 1HZ LYS 49 17.832 -3.657 -2.140 377 HZ3 LYS 49 2HZ LYS 49 17.962 -5.179 -1.414 378 H ASP 50 HN ASP 50 13.260 -1.816 -1.666 379 HA ASP 50 HA ASP 50 15.415 -0.992 -3.439 380 HB2 ASP 50 2HB ASP 50 14.344 -3.347 -3.385 381 HB3 ASP 50 1HB ASP 50 13.000 -2.597 -4.246 382 H TYR 51 HN TYR 51 12.292 0.022 -2.494 383 HA TYR 51 HA TYR 51 11.566 1.257 -4.925 384 HD1 TYR 51 HD1 TYR 51 10.538 -0.252 -5.338 385 HD2 TYR 51 HD2 TYR 51 7.621 1.704 -2.928 386 HE1 TYR 51 HE1 TYR 51 8.755 -1.343 -6.620 387 HE2 TYR 51 HE2 TYR 51 5.832 0.612 -4.208 388 HH TYR 51 HH TYR 51 6.427 -1.959 -6.379 389 HB2 TYR 51 2HB TYR 51 10.382 1.029 -2.298 390 HB3 TYR 51 1HB TYR 51 10.019 2.534 -3.103 391 H GLU 52 HN GLU 52 12.192 2.588 -1.724 392 HA GLU 52 HA GLU 52 12.843 5.173 -2.851 393 HB2 GLU 52 2HB GLU 52 12.811 5.997 -0.592 394 HB3 GLU 52 1HB GLU 52 11.407 4.967 -0.832 395 HG2 GLU 52 2HG GLU 52 12.566 3.134 0.300 396 HG3 GLU 52 1HG GLU 52 13.961 4.181 0.554 397 H ASP 53 HN ASP 53 14.397 2.681 -0.890 398 HA ASP 53 HA ASP 53 16.936 4.049 -0.912 399 HB2 ASP 53 2HB ASP 53 15.862 1.530 0.286 400 HB3 ASP 53 1HB ASP 53 17.610 1.730 0.147 401 H GLY 54 HN GLY 54 15.315 1.768 -2.905 402 HA2 GLY 54 2HA GLY 54 17.669 0.530 -3.986 403 HA3 GLY 54 1HA GLY 54 16.039 0.409 -4.629 404 H LEU 55 HN LEU 55 15.654 3.271 -4.864 405 HA LEU 55 HA LEU 55 16.935 3.635 -7.418 406 HG LEU 55 HG LEU 55 16.360 6.591 -7.774 407 HB2 LEU 55 2HB LEU 55 14.578 4.280 -7.000 408 HB3 LEU 55 1HB LEU 55 15.135 5.508 -5.880 409 HD11 LEU 55 1HD1 LEU 55 16.572 4.661 -9.231 410 HD12 LEU 55 2HD1 LEU 55 15.722 5.967 -10.055 411 HD13 LEU 55 3HD1 LEU 55 14.819 4.591 -9.420 412 HD21 LEU 55 3HD2 LEU 55 14.203 7.431 -7.045 413 HD22 LEU 55 1HD2 LEU 55 13.378 6.265 -8.080 414 HD23 LEU 55 2HD2 LEU 55 14.346 7.552 -8.799 415 H GLU 56 HN GLU 56 16.630 5.905 -4.687 416 HA GLU 56 HA GLU 56 19.178 7.096 -5.413 417 HB2 GLU 56 2HB GLU 56 17.151 7.882 -3.334 418 HB3 GLU 56 1HB GLU 56 18.603 8.793 -3.708 419 HG2 GLU 56 2HG GLU 56 17.775 9.079 -6.019 420 HG3 GLU 56 1HG GLU 56 16.286 8.260 -5.550 421 H TYR 57 HN TYR 57 20.082 4.869 -4.727 422 HA TYR 57 HA TYR 57 20.388 4.493 -1.882 423 HD1 TYR 57 HD1 TYR 57 20.139 1.401 -1.386 424 HD2 TYR 57 HD2 TYR 57 23.857 2.879 -2.831 425 HE1 TYR 57 HE1 TYR 57 21.321 0.054 0.298 426 HE2 TYR 57 HE2 TYR 57 25.050 1.535 -1.152 427 HH TYR 57 HH TYR 57 23.544 -0.923 0.644 428 HB2 TYR 57 2HB TYR 57 20.239 2.577 -3.464 429 HB3 TYR 57 1HB TYR 57 21.779 3.070 -4.160 430 HA ALA 1 HA ALA 1 -12.769 -11.081 2.177 431 H1 ALA 1 1H ALA 1 -14.774 -12.274 1.616 432 H2 ALA 1 2H ALA 1 -15.527 -10.841 1.128 433 H3 ALA 1 3H ALA 1 -15.101 -11.061 2.751 434 HB1 ALA 1 3HB ALA 1 -13.007 -12.013 -0.064 435 HB2 ALA 1 1HB ALA 1 -12.061 -10.526 -0.090 436 HB3 ALA 1 2HB ALA 1 -13.743 -10.510 -0.617 437 HA PRO 2 HA PRO 2 -13.905 -6.894 3.580 438 HB2 PRO 2 1HB PRO 2 -12.141 -6.346 4.981 439 HB3 PRO 2 2HB PRO 2 -10.927 -7.007 3.877 440 HG2 PRO 2 2HG PRO 2 -11.058 -8.725 5.451 441 HG3 PRO 2 1HG PRO 2 -12.784 -8.442 5.744 442 HD2 PRO 2 2HD PRO 2 -11.456 -9.959 3.557 443 HD3 PRO 2 1HD PRO 2 -13.046 -10.212 4.307 444 HA PRO 3 HA PRO 3 -12.716 -5.317 -0.535 445 HB2 PRO 3 1HB PRO 3 -14.946 -5.038 -1.010 446 HB3 PRO 3 2HB PRO 3 -14.595 -3.356 -0.594 447 HG2 PRO 3 2HG PRO 3 -15.448 -3.576 1.553 448 HG3 PRO 3 1HG PRO 3 -16.502 -4.708 0.685 449 HD2 PRO 3 2HD PRO 3 -15.037 -5.441 2.840 450 HD3 PRO 3 1HD PRO 3 -15.406 -6.559 1.512 451 H GLY 4 HN GLY 4 -10.820 -4.692 1.040 452 HA2 GLY 4 2HA GLY 4 -10.782 -1.745 1.181 453 HA3 GLY 4 1HA GLY 4 -10.118 -2.728 2.471 454 H THR 5 HN THR 5 -9.819 -3.322 -0.996 455 HA THR 5 HA THR 5 -7.064 -2.445 -1.024 456 HB THR 5 HB THR 5 -6.091 -4.581 -1.639 457 HG1 THR 5 HG1 THR 5 -7.322 -6.434 -1.728 458 HG21 THR 5 3HG2 THR 5 -6.186 -3.981 0.753 459 HG22 THR 5 1HG2 THR 5 -6.234 -5.726 0.501 460 HG23 THR 5 2HG2 THR 5 -7.714 -4.850 0.894 461 H ALA 6 HN ALA 6 -6.126 -2.342 -3.136 462 HA ALA 6 HA ALA 6 -7.693 -3.232 -5.394 463 HB1 ALA 6 3HB ALA 6 -8.799 -1.383 -5.829 464 HB2 ALA 6 1HB ALA 6 -7.295 -0.467 -5.900 465 HB3 ALA 6 2HB ALA 6 -8.138 -0.659 -4.365 466 H ARG 7 HN ARG 7 -5.479 -0.461 -5.246 467 HA ARG 7 HA ARG 7 -4.115 -0.942 -7.533 468 HE ARG 7 HE ARG 7 -0.315 1.039 -8.820 469 HB2 ARG 7 2HB ARG 7 -3.864 1.069 -6.112 470 HB3 ARG 7 1HB ARG 7 -2.829 0.145 -5.044 471 HG2 ARG 7 2HG ARG 7 -1.493 1.499 -6.522 472 HG3 ARG 7 1HG ARG 7 -1.250 -0.212 -6.885 473 HD2 ARG 7 2HD ARG 7 -2.847 -0.027 -8.743 474 HD3 ARG 7 1HD ARG 7 -3.046 1.689 -8.390 475 HH11 ARG 7 1HH1 ARG 7 -3.329 1.591 -10.472 476 HH12 ARG 7 2HH1 ARG 7 -2.576 2.096 -11.949 477 HH21 ARG 7 2HH2 ARG 7 -0.291 2.158 -12.112 478 HH22 ARG 7 1HH2 ARG 7 0.688 1.702 -10.759 479 H ARG 8 HN ARG 8 -1.920 -1.414 -4.784 480 HA ARG 8 HA ARG 8 -1.023 -3.832 -6.166 481 HE ARG 8 HE ARG 8 1.555 -3.824 -7.165 482 HB2 ARG 8 2HB ARG 8 0.387 -2.276 -4.005 483 HB3 ARG 8 1HB ARG 8 1.072 -3.547 -5.007 484 HG2 ARG 8 2HG ARG 8 0.343 -0.743 -5.765 485 HG3 ARG 8 1HG ARG 8 1.882 -1.583 -5.954 486 HD2 ARG 8 2HD ARG 8 -0.664 -2.129 -7.477 487 HD3 ARG 8 1HD ARG 8 0.771 -1.315 -8.099 488 HH11 ARG 8 1HH1 ARG 8 -0.432 -2.452 -9.673 489 HH12 ARG 8 2HH1 ARG 8 -0.198 -3.778 -10.764 490 HH21 ARG 8 2HH2 ARG 8 1.109 -5.557 -10.146 491 HH22 ARG 8 1HH2 ARG 8 1.870 -5.576 -8.591 492 H LYS 9 HN LYS 9 -1.594 -5.721 -5.454 493 HA LYS 9 HA LYS 9 -1.650 -6.265 -2.583 494 HB2 LYS 9 2HB LYS 9 -3.975 -5.614 -3.263 495 HB3 LYS 9 1HB LYS 9 -3.990 -6.990 -4.357 496 HG2 LYS 9 2HG LYS 9 -5.148 -7.488 -2.277 497 HG3 LYS 9 1HG LYS 9 -3.724 -8.509 -2.479 498 HD2 LYS 9 2HD LYS 9 -2.481 -7.231 -0.902 499 HD3 LYS 9 1HD LYS 9 -3.714 -5.969 -0.861 500 HE2 LYS 9 2HE LYS 9 -3.791 -7.420 1.125 501 HE3 LYS 9 1HE LYS 9 -5.282 -7.487 0.185 502 HZ1 LYS 9 3HZ LYS 9 -3.099 -9.500 0.137 503 HZ2 LYS 9 1HZ LYS 9 -4.501 -9.561 -0.808 504 HZ3 LYS 9 2HZ LYS 9 -4.607 -9.687 0.875 505 H ARG 10 HN ARG 10 0.349 -7.134 -4.186 506 HA ARG 10 HA ARG 10 -0.331 -9.919 -4.857 507 HE ARG 10 HE ARG 10 3.853 -9.708 -6.846 508 HB2 ARG 10 2HB ARG 10 1.676 -9.903 -6.279 509 HB3 ARG 10 1HB ARG 10 0.534 -8.653 -6.753 510 HG2 ARG 10 2HG ARG 10 1.873 -6.972 -5.618 511 HG3 ARG 10 1HG ARG 10 3.004 -8.217 -5.086 512 HD2 ARG 10 2HD ARG 10 2.394 -7.556 -7.965 513 HD3 ARG 10 1HD ARG 10 3.789 -6.958 -7.069 514 HH11 ARG 10 1HH1 ARG 10 3.952 -7.355 -9.410 515 HH12 ARG 10 2HH1 ARG 10 4.931 -8.336 -10.450 516 HH21 ARG 10 2HH2 ARG 10 5.606 -10.415 -9.767 517 HH22 ARG 10 1HH2 ARG 10 5.142 -11.010 -8.208 518 H LYS 11 HN LYS 11 1.484 -7.897 -2.764 519 HA LYS 11 HA LYS 11 2.807 -8.323 -0.976 520 HB2 LYS 11 2HB LYS 11 1.891 -11.165 -1.435 521 HB3 LYS 11 1HB LYS 11 2.830 -10.639 -0.047 522 HG2 LYS 11 2HG LYS 11 0.649 -10.685 0.736 523 HG3 LYS 11 1HG LYS 11 0.929 -8.981 0.379 524 HD2 LYS 11 2HD LYS 11 -1.260 -9.668 -0.413 525 HD3 LYS 11 1HD LYS 11 -0.224 -9.261 -1.777 526 HE2 LYS 11 2HE LYS 11 0.177 -11.591 -2.230 527 HE3 LYS 11 1HE LYS 11 -0.691 -12.063 -0.770 528 HZ1 LYS 11 3HZ LYS 11 -2.057 -12.341 -2.740 529 HZ2 LYS 11 1HZ LYS 11 -1.881 -10.703 -3.128 530 HZ3 LYS 11 2HZ LYS 11 -2.717 -11.157 -1.730 531 H ALA 12 HN ALA 12 4.754 -7.736 -1.849 532 HA ALA 12 HA ALA 12 6.273 -9.472 -3.546 533 HB1 ALA 12 3HB ALA 12 6.440 -6.999 -3.616 534 HB2 ALA 12 1HB ALA 12 8.000 -7.796 -3.410 535 HB3 ALA 12 2HB ALA 12 7.208 -7.039 -2.027 536 H ASP 13 HN ASP 13 5.972 -8.960 -0.140 537 HA ASP 13 HA ASP 13 8.278 -10.715 0.361 538 HB2 ASP 13 2HB ASP 13 8.533 -8.573 1.444 539 HB3 ASP 13 1HB ASP 13 6.919 -8.677 2.143 540 H SER 14 HN SER 14 4.864 -10.205 0.961 541 HA SER 14 HA SER 14 3.224 -11.552 1.778 542 HG SER 14 HG SER 14 3.753 -14.780 2.238 543 HB2 SER 14 2HB SER 14 3.950 -13.085 0.025 544 HB3 SER 14 1HB SER 14 5.218 -13.720 1.071 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 8.058 4.916 -7.331 2 H2 GLY 1 2H GLY 1 8.345 3.597 -6.311 3 H3 GLY 1 3H GLY 1 7.995 3.340 -7.945 4 HA2 GLY 1 1HA GLY 1 10.368 3.055 -7.465 5 HA3 GLY 1 2HA GLY 1 10.043 4.326 -8.632 6 H SER 2 HN SER 2 9.523 4.604 -5.156 7 HA SER 2 HA SER 2 11.832 5.643 -4.189 8 HG SER 2 HG SER 2 10.481 8.527 -6.639 9 HB2 SER 2 2HB SER 2 11.475 8.165 -4.461 10 HB3 SER 2 1HB SER 2 12.110 7.289 -5.850 11 H GLN 3 HN GLN 3 8.396 5.703 -4.212 12 HA GLN 3 HA GLN 3 8.209 7.153 -1.729 13 HB2 GLN 3 2HB GLN 3 6.209 5.863 -3.527 14 HB3 GLN 3 1HB GLN 3 5.755 6.470 -1.948 15 HG2 GLN 3 2HG GLN 3 5.251 8.090 -3.676 16 HG3 GLN 3 1HG GLN 3 6.499 8.702 -2.591 17 HE21 GLN 3 2HE2 GLN 3 8.144 9.670 -5.513 18 HE22 GLN 3 1HE2 GLN 3 7.225 10.168 -4.137 19 H VAL 4 HN VAL 4 7.703 6.312 0.243 20 HA VAL 4 HA VAL 4 8.337 3.504 0.586 21 HB VAL 4 HB VAL 4 9.396 5.251 2.019 22 HG11 VAL 4 1HG1 VAL 4 6.789 5.437 3.492 23 HG12 VAL 4 2HG1 VAL 4 7.216 6.574 2.216 24 HG13 VAL 4 3HG1 VAL 4 8.228 6.442 3.653 25 HG21 VAL 4 3HG2 VAL 4 8.433 3.925 4.218 26 HG22 VAL 4 1HG2 VAL 4 9.730 3.364 3.163 27 HG23 VAL 4 2HG2 VAL 4 8.080 2.810 2.898 28 H PHE 5 HN PHE 5 5.980 3.693 -0.695 29 HA PHE 5 HA PHE 5 4.253 2.220 0.949 30 1HB PHE 5 2HB PHE 5 2.370 4.027 0.887 31 2HB PHE 5 1HB PHE 5 3.591 4.090 2.149 32 HD1 PHE 5 HD1 PHE 5 3.298 4.584 2.514 33 HD2 PHE 5 HD2 PHE 5 4.485 6.668 -1.000 34 HE1 PHE 5 HE1 PHE 5 5.509 4.993 3.511 35 HE2 PHE 5 HE2 PHE 5 6.699 7.082 -0.011 36 HZ PHE 5 HZ PHE 5 4.573 9.231 -0.315 37 H GLU 6 HN GLU 6 1.963 2.138 -0.104 38 HA GLU 6 HA GLU 6 1.870 2.611 -2.945 39 HB2 GLU 6 2HB GLU 6 3.063 0.505 -2.952 40 HB3 GLU 6 1HB GLU 6 1.926 -0.202 -1.807 41 HG2 GLU 6 2HG GLU 6 1.385 -1.062 -3.942 42 HG3 GLU 6 1HG GLU 6 0.141 0.121 -3.543 43 H TYR 7 HN TYR 7 -0.242 3.069 -3.488 44 HA TYR 7 HA TYR 7 -2.204 2.775 -1.398 45 HD1 TYR 7 HD1 TYR 7 -4.350 3.529 -4.977 46 HD2 TYR 7 HD2 TYR 7 -0.385 4.962 -4.409 47 HE1 TYR 7 HE1 TYR 7 -4.084 3.740 -7.412 48 HE2 TYR 7 HE2 TYR 7 -0.108 5.177 -6.844 49 HH TYR 7 HH TYR 7 -1.066 4.254 -8.895 50 HB2 TYR 7 2HB TYR 7 -3.600 4.210 -2.799 51 HB3 TYR 7 1HB TYR 7 -2.007 4.909 -2.559 52 H ALA 8 HN ALA 8 -3.242 0.925 -1.208 53 HA ALA 8 HA ALA 8 -3.925 -0.633 -3.587 54 HB1 ALA 8 3HB ALA 8 -4.844 -1.578 -0.952 55 HB2 ALA 8 1HB ALA 8 -3.096 -1.431 -1.130 56 HB3 ALA 8 2HB ALA 8 -4.014 -2.446 -2.239 57 H GLU 9 HN GLU 9 -5.204 1.679 -3.705 58 HA GLU 9 HA GLU 9 -7.897 1.286 -2.655 59 HB2 GLU 9 2HB GLU 9 -7.479 3.303 -1.837 60 HB3 GLU 9 1HB GLU 9 -6.092 3.533 -2.882 61 HG2 GLU 9 2HG GLU 9 -8.933 3.975 -3.713 62 HG3 GLU 9 1HG GLU 9 -7.867 5.227 -3.103 63 H VAL 10 HN VAL 10 -9.660 1.631 -3.779 64 HA VAL 10 HA VAL 10 -9.461 1.012 -6.574 65 HB VAL 10 HB VAL 10 -11.849 1.234 -4.811 66 HG11 VAL 10 1HG1 VAL 10 -13.174 0.583 -6.556 67 HG12 VAL 10 2HG1 VAL 10 -11.888 -0.359 -7.307 68 HG13 VAL 10 3HG1 VAL 10 -11.914 1.395 -7.482 69 HG21 VAL 10 3HG2 VAL 10 -10.145 -0.532 -4.238 70 HG22 VAL 10 1HG2 VAL 10 -10.545 -1.287 -5.780 71 HG23 VAL 10 2HG2 VAL 10 -11.781 -1.109 -4.535 72 H ASP 11 HN ASP 11 -10.587 3.532 -4.467 73 HA ASP 11 HA ASP 11 -10.574 5.388 -6.726 74 1HB ASP 11 1HB ASP 11 -12.792 5.334 -4.679 75 2HB ASP 11 2HB ASP 11 -12.921 4.635 -6.286 76 H GLU 12 HN GLU 12 -10.517 4.916 -3.216 77 HA GLU 12 HA GLU 12 -8.817 7.226 -2.924 78 HB2 GLU 12 2HB GLU 12 -11.591 7.227 -1.736 79 HB3 GLU 12 1HB GLU 12 -10.308 8.300 -1.199 80 HG2 GLU 12 2HG GLU 12 -10.181 9.295 -3.409 81 HG3 GLU 12 1HG GLU 12 -11.420 8.185 -3.994 82 H ILE 13 HN ILE 13 -7.954 7.500 -0.783 83 HA ILE 13 HA ILE 13 -8.204 5.107 0.922 84 HB ILE 13 HB ILE 13 -5.828 5.024 1.324 85 HG12 ILE 13 2HG1 ILE 13 -5.499 7.532 1.315 86 HG13 ILE 13 1HG1 ILE 13 -4.252 6.653 0.440 87 HG21 ILE 13 1HG2 ILE 13 -6.040 3.821 -0.586 88 HG22 ILE 13 2HG2 ILE 13 -5.016 5.109 -1.218 89 HG23 ILE 13 3HG2 ILE 13 -6.756 5.162 -1.478 90 HD11 ILE 13 3HD1 ILE 13 -4.650 8.235 -1.109 91 HD12 ILE 13 1HD1 ILE 13 -6.297 8.523 -0.547 92 HD13 ILE 13 2HD1 ILE 13 -5.949 7.134 -1.575 93 H VAL 14 HN VAL 14 -6.506 5.948 2.964 94 HA VAL 14 HA VAL 14 -7.294 8.620 3.783 95 HB VAL 14 HB VAL 14 -8.085 6.200 5.414 96 HG11 VAL 14 1HG1 VAL 14 -8.414 9.140 6.012 97 HG12 VAL 14 2HG1 VAL 14 -7.298 8.037 6.819 98 HG13 VAL 14 3HG1 VAL 14 -9.038 7.810 6.989 99 HG21 VAL 14 3HG2 VAL 14 -9.768 8.275 4.013 100 HG22 VAL 14 1HG2 VAL 14 -10.382 7.009 5.078 101 HG23 VAL 14 2HG2 VAL 14 -9.601 6.581 3.556 102 H GLU 15 HN GLU 15 -6.018 5.592 5.106 103 HA GLU 15 HA GLU 15 -3.832 7.091 6.371 104 HB2 GLU 15 2HB GLU 15 -3.348 4.833 7.450 105 HB3 GLU 15 1HB GLU 15 -4.856 5.609 7.913 106 HG2 GLU 15 2HG GLU 15 -6.087 4.167 6.395 107 HG3 GLU 15 1HG GLU 15 -4.582 3.412 5.872 108 H LYS 16 HN LYS 16 -1.734 6.929 5.648 109 HA LYS 16 HA LYS 16 -1.039 4.780 3.805 110 HB2 LYS 16 2HB LYS 16 -0.202 6.423 2.106 111 HB3 LYS 16 1HB LYS 16 -1.952 6.375 2.283 112 HG2 LYS 16 2HG LYS 16 -1.731 8.366 3.811 113 HG3 LYS 16 1HG LYS 16 -0.051 8.471 3.281 114 HD2 LYS 16 2HD LYS 16 -0.827 8.653 0.949 115 HD3 LYS 16 1HD LYS 16 -2.497 8.622 1.522 116 HE2 LYS 16 2HE LYS 16 -2.026 10.652 2.861 117 HE3 LYS 16 1HE LYS 16 -0.409 10.703 2.161 118 HZ1 LYS 16 3HZ LYS 16 -1.436 10.913 -0.038 119 HZ2 LYS 16 1HZ LYS 16 -1.874 12.188 0.984 120 HZ3 LYS 16 2HZ LYS 16 -2.970 10.937 0.674 121 H ARG 17 HN ARG 17 0.553 4.149 5.374 122 HA ARG 17 HA ARG 17 3.016 5.656 5.190 123 HE ARG 17 HE ARG 17 3.550 8.414 7.538 124 HB2 ARG 17 2HB ARG 17 1.942 6.749 7.094 125 HB3 ARG 17 1HB ARG 17 1.707 5.193 7.876 126 HG2 ARG 17 2HG ARG 17 3.589 6.370 8.848 127 HG3 ARG 17 1HG ARG 17 4.126 4.900 8.034 128 HD2 ARG 17 2HD ARG 17 5.657 6.666 7.499 129 HD3 ARG 17 1HD ARG 17 4.721 6.281 6.056 130 HH11 ARG 17 1HH1 ARG 17 6.095 7.635 5.291 131 HH12 ARG 17 2HH1 ARG 17 6.185 9.237 4.637 132 HH21 ARG 17 2HH2 ARG 17 4.804 10.882 5.429 133 HH22 ARG 17 1HH2 ARG 17 3.663 10.529 6.684 134 H GLY 18 HN GLY 18 3.953 3.791 4.216 135 HA2 GLY 18 2HA GLY 18 4.542 1.701 6.161 136 HA3 GLY 18 1HA GLY 18 3.649 1.199 4.747 137 H LYS 19 HN LYS 19 4.951 -0.004 3.657 138 HA LYS 19 HA LYS 19 7.663 0.930 3.051 139 HB2 LYS 19 2HB LYS 19 6.455 -1.796 3.360 140 HB3 LYS 19 1HB LYS 19 8.062 -1.548 2.677 141 HG2 LYS 19 2HG LYS 19 8.823 -0.538 4.733 142 HG3 LYS 19 1HG LYS 19 7.201 -0.665 5.421 143 HD2 LYS 19 2HD LYS 19 7.314 -3.090 5.209 144 HD3 LYS 19 1HD LYS 19 8.942 -2.955 4.551 145 HE2 LYS 19 2HE LYS 19 8.053 -2.093 7.303 146 HE3 LYS 19 1HE LYS 19 9.010 -3.524 6.927 147 HZ1 LYS 19 3HZ LYS 19 9.838 -0.705 6.497 148 HZ2 LYS 19 1HZ LYS 19 10.753 -2.063 6.068 149 HZ3 LYS 19 2HZ LYS 19 10.422 -1.746 7.696 150 H GLY 20 HN GLY 20 6.951 -1.710 1.141 151 HA2 GLY 20 2HA GLY 20 6.263 0.018 -1.096 152 HA3 GLY 20 1HA GLY 20 6.874 -1.634 -1.199 153 H LYS 21 HN LYS 21 5.397 -2.849 0.625 154 HA LYS 21 HA LYS 21 2.593 -2.545 -0.205 155 HB2 LYS 21 2HB LYS 21 3.938 -5.222 0.172 156 HB3 LYS 21 1HB LYS 21 2.352 -4.899 -0.514 157 HG2 LYS 21 2HG LYS 21 4.989 -4.132 -1.747 158 HG3 LYS 21 1HG LYS 21 3.976 -5.492 -2.231 159 HD2 LYS 21 2HD LYS 21 2.348 -4.123 -3.147 160 HD3 LYS 21 1HD LYS 21 2.843 -2.725 -2.194 161 HE2 LYS 21 2HE LYS 21 5.001 -2.754 -3.517 162 HE3 LYS 21 1HE LYS 21 4.227 -3.930 -4.577 163 HZ1 LYS 21 3HZ LYS 21 3.316 -1.154 -4.060 164 HZ2 LYS 21 1HZ LYS 21 2.470 -2.284 -4.993 165 HZ3 LYS 21 2HZ LYS 21 3.992 -1.744 -5.494 166 H ASP 22 HN ASP 22 4.695 -2.508 2.375 167 HA ASP 22 HA ASP 22 3.065 -3.889 4.269 168 HB2 ASP 22 2HB ASP 22 5.599 -3.718 4.393 169 HB3 ASP 22 1HB ASP 22 5.358 -2.052 4.878 170 H VAL 23 HN VAL 23 2.578 -1.174 2.781 171 HA VAL 23 HA VAL 23 1.892 0.549 4.980 172 HB VAL 23 HB VAL 23 2.919 1.431 2.959 173 HG11 VAL 23 1HG1 VAL 23 2.355 0.607 0.975 174 HG12 VAL 23 2HG1 VAL 23 0.735 1.281 1.141 175 HG13 VAL 23 3HG1 VAL 23 1.074 -0.343 1.725 176 HG21 VAL 23 3HG2 VAL 23 1.195 2.712 4.328 177 HG22 VAL 23 1HG2 VAL 23 0.063 2.379 3.022 178 HG23 VAL 23 2HG2 VAL 23 1.525 3.317 2.707 179 H GLU 24 HN GLU 24 -0.167 1.194 5.480 180 HA GLU 24 HA GLU 24 -2.285 -0.596 4.519 181 HB2 GLU 24 2HB GLU 24 -3.477 0.453 6.618 182 HB3 GLU 24 1HB GLU 24 -2.359 -0.890 6.785 183 HG2 GLU 24 2HG GLU 24 -0.565 0.738 7.323 184 HG3 GLU 24 1HG GLU 24 -1.776 2.019 7.284 185 H TYR 25 HN TYR 25 -3.468 0.271 2.990 186 HA TYR 25 HA TYR 25 -4.082 3.134 3.088 187 HD1 TYR 25 HD1 TYR 25 -3.849 4.794 0.285 188 HD2 TYR 25 HD2 TYR 25 -1.205 1.699 1.461 189 HE1 TYR 25 HE1 TYR 25 -1.946 6.259 -0.215 190 HE2 TYR 25 HE2 TYR 25 0.708 3.156 0.973 191 HH TYR 25 HH TYR 25 1.219 5.113 -0.441 192 HB2 TYR 25 2HB TYR 25 -3.575 1.251 0.836 193 HB3 TYR 25 1HB TYR 25 -4.672 2.602 0.578 194 H LEU 26 HN LEU 26 -6.210 3.775 2.647 195 HA LEU 26 HA LEU 26 -8.234 1.786 3.235 196 HG LEU 26 HG LEU 26 -10.584 3.034 3.011 197 HB2 LEU 26 2HB LEU 26 -8.521 3.787 4.480 198 HB3 LEU 26 1HB LEU 26 -8.199 4.792 3.083 199 HD11 LEU 26 1HD1 LEU 26 -11.502 5.459 4.009 200 HD12 LEU 26 2HD1 LEU 26 -10.151 5.001 5.047 201 HD13 LEU 26 3HD1 LEU 26 -11.507 3.896 4.823 202 HD21 LEU 26 3HD2 LEU 26 -9.815 5.676 1.853 203 HD22 LEU 26 1HD2 LEU 26 -11.490 5.135 1.884 204 HD23 LEU 26 2HD2 LEU 26 -10.280 4.197 1.018 205 H VAL 27 HN VAL 27 -10.163 1.661 1.811 206 HA VAL 27 HA VAL 27 -9.648 2.770 -0.817 207 HB VAL 27 HB VAL 27 -9.325 0.968 -1.926 208 HG11 VAL 27 1HG1 VAL 27 -7.769 0.557 -0.155 209 HG12 VAL 27 2HG1 VAL 27 -8.381 -0.979 -0.765 210 HG13 VAL 27 3HG1 VAL 27 -8.992 -0.329 0.755 211 HG21 VAL 27 3HG2 VAL 27 -10.544 -1.210 -1.662 212 HG22 VAL 27 1HG2 VAL 27 -11.570 0.183 -1.997 213 HG23 VAL 27 2HG2 VAL 27 -11.456 -0.452 -0.358 214 H ARG 28 HN ARG 28 -11.248 4.028 -1.204 215 HA ARG 28 HA ARG 28 -13.961 3.360 -0.426 216 HE ARG 28 HE ARG 28 -17.096 6.508 0.161 217 HB2 ARG 28 2HB ARG 28 -12.814 5.754 -0.662 218 HB3 ARG 28 1HB ARG 28 -13.295 5.542 -2.340 219 HG2 ARG 28 2HG ARG 28 -15.102 6.668 -1.531 220 HG3 ARG 28 1HG ARG 28 -15.628 5.000 -1.295 221 HD2 ARG 28 2HD ARG 28 -15.013 5.078 1.027 222 HD3 ARG 28 1HD ARG 28 -14.284 6.670 0.822 223 HH11 ARG 28 1HH1 ARG 28 -14.728 7.169 2.637 224 HH12 ARG 28 2HH1 ARG 28 -15.805 8.139 3.584 225 HH21 ARG 28 2HH2 ARG 28 -17.954 8.487 2.886 226 HH22 ARG 28 1HH2 ARG 28 -18.515 7.783 1.407 227 H TRP 29 HN TRP 29 -13.824 1.367 -1.556 228 HA TRP 29 HA TRP 29 -13.340 0.574 -3.995 229 HD1 TRP 29 HD1 TRP 29 -13.470 -0.878 -5.380 230 HE1 TRP 29 HE1 TRP 29 -14.006 -3.166 -6.427 231 HE3 TRP 29 HE3 TRP 29 -17.247 -2.341 -2.257 232 HZ2 TRP 29 HZ2 TRP 29 -15.790 -5.307 -5.991 233 HZ3 TRP 29 HZ3 TRP 29 -18.315 -4.524 -2.641 234 HH2 TRP 29 HH2 TRP 29 -17.601 -5.975 -4.470 235 HB2 TRP 29 2HB TRP 29 -14.763 -0.491 -2.118 236 HB3 TRP 29 1HB TRP 29 -16.136 0.126 -3.024 237 H LYS 30 HN LYS 30 -13.230 2.282 -5.422 238 HA LYS 30 HA LYS 30 -14.833 4.135 -6.373 239 HB2 LYS 30 2HB LYS 30 -12.779 3.151 -7.520 240 HB3 LYS 30 1HB LYS 30 -13.885 2.060 -8.343 241 HG2 LYS 30 2HG LYS 30 -14.994 3.879 -9.420 242 HG3 LYS 30 1HG LYS 30 -14.099 5.059 -8.458 243 HD2 LYS 30 2HD LYS 30 -13.149 4.916 -10.681 244 HD3 LYS 30 1HD LYS 30 -12.004 4.278 -9.499 245 HE2 LYS 30 2HE LYS 30 -12.761 1.994 -10.056 246 HE3 LYS 30 1HE LYS 30 -13.820 2.671 -11.292 247 HZ1 LYS 30 3HZ LYS 30 -11.773 1.898 -12.271 248 HZ2 LYS 30 1HZ LYS 30 -10.858 2.867 -11.230 249 HZ3 LYS 30 2HZ LYS 30 -11.854 3.582 -12.394 250 H ASP 31 HN ASP 31 -15.617 0.723 -6.748 251 HA ASP 31 HA ASP 31 -18.304 1.495 -7.681 252 HB2 ASP 31 2HB ASP 31 -16.779 -1.057 -8.264 253 HB3 ASP 31 1HB ASP 31 -18.427 -0.716 -8.783 254 H GLY 32 HN GLY 32 -18.129 1.672 -5.105 255 HA2 GLY 32 2HA GLY 32 -19.466 -0.729 -4.086 256 HA3 GLY 32 1HA GLY 32 -18.045 -0.144 -3.225 257 H GLY 33 HN GLY 33 -19.586 -0.025 -1.428 258 HA2 GLY 33 2HA GLY 33 -20.689 2.674 -1.280 259 HA3 GLY 33 1HA GLY 33 -21.815 1.348 -1.027 260 H ASP 34 HN ASP 34 -18.488 1.122 -0.005 261 HA ASP 34 HA ASP 34 -19.224 1.729 2.761 262 HB2 ASP 34 2HB ASP 34 -17.870 -0.854 1.958 263 HB3 ASP 34 1HB ASP 34 -18.294 -0.357 3.593 264 H CYS 35 HN CYS 35 -17.076 1.236 4.148 265 HA CYS 35 HA CYS 35 -14.753 2.274 2.683 266 HG CYS 35 HG CYS 35 -17.162 5.215 4.290 267 HB2 CYS 35 2HB CYS 35 -15.744 3.360 5.328 268 HB3 CYS 35 1HB CYS 35 -14.275 3.859 4.497 269 H GLU 36 HN GLU 36 -13.251 0.751 2.895 270 HA GLU 36 HA GLU 36 -12.855 -0.455 5.555 271 HB2 GLU 36 2HB GLU 36 -12.522 -1.807 2.873 272 HB3 GLU 36 1HB GLU 36 -12.155 -2.533 4.431 273 HG2 GLU 36 2HG GLU 36 -14.269 -3.348 3.682 274 HG3 GLU 36 1HG GLU 36 -14.535 -2.280 5.059 275 H TRP 37 HN TRP 37 -10.599 -1.522 5.665 276 HA TRP 37 HA TRP 37 -8.642 0.357 4.529 277 HD1 TRP 37 HD1 TRP 37 -9.080 2.305 5.596 278 HE1 TRP 37 HE1 TRP 37 -10.140 3.811 7.395 279 HE3 TRP 37 HE3 TRP 37 -8.904 -0.921 9.558 280 HZ2 TRP 37 HZ2 TRP 37 -10.812 3.651 10.135 281 HZ3 TRP 37 HZ3 TRP 37 -9.776 -0.168 11.732 282 HH2 TRP 37 HH2 TRP 37 -10.709 2.070 12.013 283 HB2 TRP 37 2HB TRP 37 -8.548 -1.196 7.118 284 HB3 TRP 37 1HB TRP 37 -7.262 -0.166 6.513 285 H VAL 38 HN VAL 38 -6.642 -0.428 3.825 286 HA VAL 38 HA VAL 38 -6.704 -3.200 2.925 287 HB VAL 38 HB VAL 38 -4.709 -1.003 2.362 288 HG11 VAL 38 1HG1 VAL 38 -3.950 -2.498 0.536 289 HG12 VAL 38 2HG1 VAL 38 -4.972 -3.768 1.200 290 HG13 VAL 38 3HG1 VAL 38 -3.624 -3.134 2.143 291 HG21 VAL 38 3HG2 VAL 38 -5.815 -0.583 0.376 292 HG22 VAL 38 1HG2 VAL 38 -7.138 -0.855 1.507 293 HG23 VAL 38 2HG2 VAL 38 -6.647 -2.136 0.402 294 H LYS 39 HN LYS 39 -4.763 -4.563 3.156 295 HA LYS 39 HA LYS 39 -3.909 -4.555 5.885 296 HB2 LYS 39 2HB LYS 39 -4.480 -6.651 4.741 297 HB3 LYS 39 1HB LYS 39 -3.139 -6.406 3.630 298 HG2 LYS 39 2HG LYS 39 -1.570 -6.549 5.510 299 HG3 LYS 39 1HG LYS 39 -2.925 -6.837 6.603 300 HD2 LYS 39 2HD LYS 39 -2.098 -8.586 4.285 301 HD3 LYS 39 1HD LYS 39 -1.845 -8.935 5.997 302 HE2 LYS 39 2HE LYS 39 -4.516 -8.624 4.631 303 HE3 LYS 39 1HE LYS 39 -3.772 -10.150 5.102 304 HZ1 LYS 39 3HZ LYS 39 -5.406 -9.450 6.722 305 HZ2 LYS 39 1HZ LYS 39 -4.601 -7.979 6.953 306 HZ3 LYS 39 2HZ LYS 39 -3.862 -9.429 7.414 307 H GLY 40 HN GLY 40 -2.566 -2.913 6.318 308 HA2 GLY 40 2HA GLY 40 -0.200 -2.518 4.678 309 HA3 GLY 40 1HA GLY 40 -0.702 -1.515 6.029 310 H VAL 41 HN VAL 41 -0.129 -5.002 5.795 311 HA VAL 41 HA VAL 41 1.998 -4.717 7.822 312 HB VAL 41 HB VAL 41 0.580 -7.312 7.509 313 HG11 VAL 41 1HG1 VAL 41 2.523 -7.141 8.956 314 HG12 VAL 41 2HG1 VAL 41 1.074 -7.491 9.899 315 HG13 VAL 41 3HG1 VAL 41 1.740 -5.859 9.881 316 HG21 VAL 41 3HG2 VAL 41 -1.116 -6.649 9.186 317 HG22 VAL 41 1HG2 VAL 41 -1.292 -5.776 7.663 318 HG23 VAL 41 2HG2 VAL 41 -0.559 -4.980 9.056 319 H HIS 42 HN HIS 42 1.554 -5.225 4.654 320 HA HIS 42 HA HIS 42 3.113 -7.566 4.255 321 HD1 HIS 42 HD1 HIS 42 -0.059 -7.919 2.499 322 HD2 HIS 42 HD2 HIS 42 3.824 -8.726 1.265 323 HE1 HIS 42 HE1 HIS 42 -0.134 -10.232 1.520 324 HE2 HIS 42 HE2 HIS 42 2.254 -10.752 0.917 325 HB2 HIS 42 2HB HIS 42 1.428 -5.919 2.669 326 HB3 HIS 42 1HB HIS 42 3.008 -6.007 1.880 327 H VAL 43 HN VAL 43 4.768 -7.091 5.553 328 HA VAL 43 HA VAL 43 6.565 -4.994 5.340 329 HB VAL 43 HB VAL 43 7.113 -7.822 6.211 330 HG11 VAL 43 1HG1 VAL 43 9.243 -6.989 6.009 331 HG12 VAL 43 2HG1 VAL 43 8.851 -6.485 7.654 332 HG13 VAL 43 3HG1 VAL 43 8.741 -5.330 6.327 333 HG21 VAL 43 3HG2 VAL 43 5.292 -6.768 7.446 334 HG22 VAL 43 1HG2 VAL 43 6.327 -5.387 7.806 335 HG23 VAL 43 2HG2 VAL 43 6.715 -6.975 8.467 336 H ALA 44 HN ALA 44 6.427 -4.960 2.892 337 HA ALA 44 HA ALA 44 8.435 -6.643 1.641 338 HB1 ALA 44 3HB ALA 44 6.704 -4.463 0.470 339 HB2 ALA 44 1HB ALA 44 6.383 -6.196 0.391 340 HB3 ALA 44 2HB ALA 44 7.783 -5.519 -0.443 341 H GLU 45 HN GLU 45 9.669 -5.397 3.526 342 HA GLU 45 HA GLU 45 10.568 -2.813 3.308 343 HB2 GLU 45 2HB GLU 45 11.148 -4.192 5.209 344 HB3 GLU 45 1HB GLU 45 12.089 -5.271 4.189 345 HG2 GLU 45 2HG GLU 45 13.663 -3.461 3.726 346 HG3 GLU 45 1HG GLU 45 12.719 -2.381 4.753 347 H ASP 46 HN ASP 46 11.293 -5.534 1.323 348 HA ASP 46 HA ASP 46 13.682 -4.546 0.133 349 HB2 ASP 46 2HB ASP 46 12.924 -6.921 0.015 350 HB3 ASP 46 1HB ASP 46 11.632 -6.417 -1.071 351 H VAL 47 HN VAL 47 10.279 -4.447 -0.880 352 HA VAL 47 HA VAL 47 10.679 -3.044 -3.276 353 HB VAL 47 HB VAL 47 8.259 -2.909 -1.474 354 HG11 VAL 47 1HG1 VAL 47 8.781 -1.417 -3.692 355 HG12 VAL 47 2HG1 VAL 47 7.169 -1.833 -3.116 356 HG13 VAL 47 3HG1 VAL 47 7.929 -2.796 -4.383 357 HG21 VAL 47 3HG2 VAL 47 8.732 -4.792 -3.775 358 HG22 VAL 47 1HG2 VAL 47 7.388 -4.798 -2.634 359 HG23 VAL 47 2HG2 VAL 47 9.009 -5.223 -2.091 360 H ALA 48 HN ALA 48 10.444 -2.011 -0.007 361 HA ALA 48 HA ALA 48 10.216 0.815 -0.437 362 HB1 ALA 48 3HB ALA 48 10.837 -0.743 2.065 363 HB2 ALA 48 1HB ALA 48 9.229 -0.248 1.535 364 HB3 ALA 48 2HB ALA 48 10.425 0.971 1.982 365 H LYS 49 HN LYS 49 12.660 -1.302 1.030 366 HA LYS 49 HA LYS 49 14.714 0.576 1.161 367 HB2 LYS 49 2HB LYS 49 14.722 -1.676 2.267 368 HB3 LYS 49 1HB LYS 49 15.022 -2.399 0.692 369 HG2 LYS 49 2HG LYS 49 17.090 -2.242 1.884 370 HG3 LYS 49 1HG LYS 49 17.120 -1.095 0.542 371 HD2 LYS 49 2HD LYS 49 18.030 -0.089 2.570 372 HD3 LYS 49 1HD LYS 49 16.539 0.719 2.080 373 HE2 LYS 49 2HE LYS 49 15.289 -0.543 3.741 374 HE3 LYS 49 1HE LYS 49 16.749 -1.415 4.203 375 HZ1 LYS 49 3HZ LYS 49 17.721 0.674 4.930 376 HZ2 LYS 49 1HZ LYS 49 16.267 0.377 5.743 377 HZ3 LYS 49 2HZ LYS 49 16.319 1.509 4.488 378 H ASP 50 HN ASP 50 13.460 -1.359 -1.423 379 HA ASP 50 HA ASP 50 15.606 -0.620 -3.237 380 HB2 ASP 50 2HB ASP 50 14.476 -2.942 -3.130 381 HB3 ASP 50 1HB ASP 50 13.135 -2.171 -3.976 382 H TYR 51 HN TYR 51 12.392 0.353 -2.361 383 HA TYR 51 HA TYR 51 11.756 1.624 -4.789 384 HD1 TYR 51 HD1 TYR 51 10.204 2.068 -5.801 385 HD2 TYR 51 HD2 TYR 51 8.253 0.821 -2.228 386 HE1 TYR 51 HE1 TYR 51 8.323 1.208 -7.128 387 HE2 TYR 51 HE2 TYR 51 6.367 -0.033 -3.549 388 HH TYR 51 HH TYR 51 6.513 -0.410 -6.930 389 HB2 TYR 51 2HB TYR 51 10.547 1.507 -2.179 390 HB3 TYR 51 1HB TYR 51 10.357 3.074 -2.909 391 H GLU 52 HN GLU 52 12.384 3.027 -1.629 392 HA GLU 52 HA GLU 52 13.186 5.513 -2.810 393 HB2 GLU 52 2HB GLU 52 13.207 6.397 -0.559 394 HB3 GLU 52 1HB GLU 52 11.731 5.484 -0.830 395 HG2 GLU 52 2HG GLU 52 12.746 3.564 0.344 396 HG3 GLU 52 1HG GLU 52 14.161 4.557 0.683 397 H ASP 53 HN ASP 53 14.642 3.110 -0.656 398 HA ASP 53 HA ASP 53 17.204 4.374 -0.660 399 HB2 ASP 53 2HB ASP 53 16.012 1.913 0.477 400 HB3 ASP 53 1HB ASP 53 17.761 1.916 0.261 401 H GLY 54 HN GLY 54 15.618 2.081 -2.708 402 HA2 GLY 54 2HA GLY 54 17.894 0.795 -3.786 403 HA3 GLY 54 1HA GLY 54 16.326 0.923 -4.566 404 H LEU 55 HN LEU 55 16.050 3.619 -4.908 405 HA LEU 55 HA LEU 55 17.838 4.091 -7.107 406 HG LEU 55 HG LEU 55 14.637 3.917 -7.075 407 HB2 LEU 55 2HB LEU 55 15.616 5.744 -5.906 408 HB3 LEU 55 1HB LEU 55 16.539 6.237 -7.315 409 HD11 LEU 55 1HD1 LEU 55 13.450 5.020 -8.843 410 HD12 LEU 55 2HD1 LEU 55 14.723 6.227 -9.006 411 HD13 LEU 55 3HD1 LEU 55 13.734 6.182 -7.547 412 HD21 LEU 55 3HD2 LEU 55 16.531 3.063 -8.267 413 HD22 LEU 55 1HD2 LEU 55 16.619 4.515 -9.263 414 HD23 LEU 55 2HD2 LEU 55 15.254 3.412 -9.433 415 H GLU 56 HN GLU 56 16.980 6.098 -4.289 416 HA GLU 56 HA GLU 56 19.443 7.581 -4.529 417 HB2 GLU 56 2HB GLU 56 17.209 7.724 -2.518 418 HB3 GLU 56 1HB GLU 56 18.589 8.811 -2.535 419 HG2 GLU 56 2HG GLU 56 17.935 9.584 -4.765 420 HG3 GLU 56 1HG GLU 56 16.539 8.507 -4.720 421 H TYR 57 HN TYR 57 20.449 5.284 -4.240 422 HA TYR 57 HA TYR 57 20.737 4.496 -1.459 423 HD1 TYR 57 HD1 TYR 57 20.440 1.445 -1.280 424 HD2 TYR 57 HD2 TYR 57 24.158 2.888 -2.759 425 HE1 TYR 57 HE1 TYR 57 21.629 -0.125 0.194 426 HE2 TYR 57 HE2 TYR 57 25.358 1.321 -1.292 427 HH TYR 57 HH TYR 57 23.843 -1.246 0.289 428 HB2 TYR 57 2HB TYR 57 20.526 2.804 -3.271 429 HB3 TYR 57 1HB TYR 57 22.060 3.358 -3.930 430 HA ALA 1 HA ALA 1 -18.314 -7.700 3.696 431 H1 ALA 1 1H ALA 1 -18.690 -10.047 4.038 432 H2 ALA 1 2H ALA 1 -17.168 -10.414 3.395 433 H3 ALA 1 3H ALA 1 -18.360 -9.727 2.410 434 HB1 ALA 1 3HB ALA 1 -16.677 -7.366 5.439 435 HB2 ALA 1 1HB ALA 1 -16.044 -8.994 5.199 436 HB3 ALA 1 2HB ALA 1 -17.676 -8.768 5.827 437 HA PRO 2 HA PRO 2 -15.538 -7.453 0.031 438 HB2 PRO 2 1HB PRO 2 -16.456 -5.706 -1.164 439 HB3 PRO 2 2HB PRO 2 -16.686 -4.707 0.276 440 HG2 PRO 2 2HG PRO 2 -18.870 -5.434 -0.086 441 HG3 PRO 2 1HG PRO 2 -18.336 -6.997 -0.731 442 HD2 PRO 2 2HD PRO 2 -18.595 -6.102 2.100 443 HD3 PRO 2 1HD PRO 2 -18.854 -7.710 1.395 444 HA PRO 3 HA PRO 3 -12.486 -5.592 2.878 445 HB2 PRO 3 1HB PRO 3 -11.350 -7.593 2.863 446 HB3 PRO 3 2HB PRO 3 -10.324 -6.735 1.707 447 HG2 PRO 3 2HG PRO 3 -11.360 -7.713 -0.129 448 HG3 PRO 3 1HG PRO 3 -11.480 -9.039 1.045 449 HD2 PRO 3 2HD PRO 3 -13.644 -8.016 -0.221 450 HD3 PRO 3 1HD PRO 3 -13.722 -8.664 1.430 451 H GLY 4 HN GLY 4 -11.770 -3.579 2.584 452 HA2 GLY 4 2HA GLY 4 -11.746 -2.301 0.068 453 HA3 GLY 4 1HA GLY 4 -11.067 -1.646 1.552 454 H THR 5 HN THR 5 -10.421 -3.196 -1.437 455 HA THR 5 HA THR 5 -7.589 -2.740 -1.113 456 HB THR 5 HB THR 5 -7.795 -4.984 -0.169 457 HG1 THR 5 HG1 THR 5 -6.489 -4.130 0.261 458 1HG2 THR 5 1HG2 THR 5 -7.894 -7.294 1.116 459 2HG2 THR 5 2HG2 THR 5 -7.703 -7.943 -0.512 460 3HG2 THR 5 3HG2 THR 5 -8.875 -6.662 -0.207 461 H ALA 6 HN ALA 6 -6.447 -2.581 -3.003 462 HA ALA 6 HA ALA 6 -7.739 -3.246 -5.531 463 HB1 ALA 6 3HB ALA 6 -8.521 -1.009 -5.186 464 HB2 ALA 6 1HB ALA 6 -7.281 -0.977 -6.438 465 HB3 ALA 6 2HB ALA 6 -6.896 -0.457 -4.799 466 H ARG 7 HN ARG 7 -5.081 -0.970 -5.077 467 HA ARG 7 HA ARG 7 -3.348 -2.571 -6.707 468 HE ARG 7 HE ARG 7 -3.690 0.938 -8.227 469 HB2 ARG 7 2HB ARG 7 -3.550 0.108 -6.203 470 HB3 ARG 7 1HB ARG 7 -2.167 -0.326 -5.206 471 HG2 ARG 7 2HG ARG 7 -1.406 0.398 -7.367 472 HG3 ARG 7 1HG ARG 7 -1.090 -1.328 -7.182 473 HD2 ARG 7 2HD ARG 7 -1.974 -0.820 -9.404 474 HD3 ARG 7 1HD ARG 7 -3.083 -1.843 -8.491 475 HH11 ARG 7 1HH1 ARG 7 -4.069 -1.848 -10.278 476 HH12 ARG 7 2HH1 ARG 7 -5.516 -1.262 -11.028 477 HH21 ARG 7 2HH2 ARG 7 -6.384 0.768 -10.420 478 HH22 ARG 7 1HH2 ARG 7 -5.596 1.723 -9.208 479 H ARG 8 HN ARG 8 -0.869 -1.856 -5.246 480 HA ARG 8 HA ARG 8 0.574 -3.076 -3.942 481 HE ARG 8 HE ARG 8 0.191 -5.544 -0.512 482 HB2 ARG 8 2HB ARG 8 -0.212 -1.410 -2.388 483 HB3 ARG 8 1HB ARG 8 -1.646 -2.355 -2.029 484 HG2 ARG 8 2HG ARG 8 0.805 -3.823 -1.519 485 HG3 ARG 8 1HG ARG 8 0.694 -2.328 -0.587 486 HD2 ARG 8 2HD ARG 8 -0.731 -3.301 0.808 487 HD3 ARG 8 1HD ARG 8 -1.850 -3.578 -0.528 488 HH11 ARG 8 1HH1 ARG 8 -2.693 -4.587 1.184 489 HH12 ARG 8 2HH1 ARG 8 -3.096 -6.197 1.676 490 HH21 ARG 8 2HH2 ARG 8 -1.752 -7.950 1.073 491 HH22 ARG 8 1HH2 ARG 8 -0.332 -7.668 0.122 492 H LYS 9 HN LYS 9 -0.032 -5.072 -5.233 493 HA LYS 9 HA LYS 9 -0.818 -7.137 -3.325 494 HB2 LYS 9 2HB LYS 9 -2.877 -6.414 -4.546 495 HB3 LYS 9 1HB LYS 9 -2.134 -6.981 -6.035 496 HG2 LYS 9 2HG LYS 9 -3.634 -8.658 -5.232 497 HG3 LYS 9 1HG LYS 9 -1.981 -9.243 -5.036 498 HD2 LYS 9 2HD LYS 9 -2.031 -8.625 -2.678 499 HD3 LYS 9 1HD LYS 9 -3.669 -7.999 -2.867 500 HE2 LYS 9 2HE LYS 9 -2.838 -10.861 -3.333 501 HE3 LYS 9 1HE LYS 9 -3.614 -10.256 -1.870 502 HZ1 LYS 9 3HZ LYS 9 -5.522 -9.595 -3.226 503 HZ2 LYS 9 1HZ LYS 9 -5.232 -11.259 -3.330 504 HZ3 LYS 9 2HZ LYS 9 -4.780 -10.240 -4.602 505 H ARG 10 HN ARG 10 1.755 -6.773 -4.139 506 HA ARG 10 HA ARG 10 2.175 -8.941 -6.090 507 HE ARG 10 HE ARG 10 6.233 -7.322 -6.722 508 HB2 ARG 10 2HB ARG 10 4.292 -7.952 -6.666 509 HB3 ARG 10 1HB ARG 10 3.051 -6.712 -6.787 510 HG2 ARG 10 2HG ARG 10 3.726 -5.817 -4.620 511 HG3 ARG 10 1HG ARG 10 4.965 -7.066 -4.488 512 HD2 ARG 10 2HD ARG 10 4.809 -4.975 -6.658 513 HD3 ARG 10 1HD ARG 10 5.878 -4.913 -5.258 514 HH11 ARG 10 1HH1 ARG 10 6.989 -3.923 -6.738 515 HH12 ARG 10 2HH1 ARG 10 8.430 -4.114 -7.680 516 HH21 ARG 10 2HH2 ARG 10 9.079 -6.198 -8.376 517 HH22 ARG 10 1HH2 ARG 10 8.130 -7.587 -7.962 518 H LYS 11 HN LYS 11 2.801 -7.753 -2.902 519 HA LYS 11 HA LYS 11 3.917 -8.580 -1.109 520 1HB LYS 11 2HB LYS 11 3.349 -11.290 -2.284 521 2HB LYS 11 1HB LYS 11 3.470 -10.843 -0.589 522 1HG LYS 11 2HG LYS 11 5.156 -6.627 -2.169 523 2HG LYS 11 1HG LYS 11 3.561 -7.273 -2.554 524 1HD LYS 11 2HD LYS 11 2.616 -6.465 -0.615 525 2HD LYS 11 1HD LYS 11 4.156 -6.435 0.248 526 1HE LYS 11 1HE LYS 11 3.202 -4.186 -0.372 527 2HE LYS 11 2HE LYS 11 3.506 -4.611 -2.057 528 1HZ LYS 11 1HZ LYS 11 -1.600 -12.346 -2.683 529 2HZ LYS 11 2HZ LYS 11 -0.147 -12.390 -1.816 530 3HZ LYS 11 3HZ LYS 11 -0.137 -12.609 -3.494 531 H ALA 12 HN ALA 12 5.952 -7.752 -1.958 532 HA ALA 12 HA ALA 12 7.749 -9.490 -3.348 533 HB1 ALA 12 3HB ALA 12 7.896 -7.028 -3.474 534 HB2 ALA 12 1HB ALA 12 9.412 -7.771 -2.958 535 HB3 ALA 12 2HB ALA 12 8.362 -6.994 -1.773 536 H ASP 13 HN ASP 13 6.964 -8.817 -0.037 537 HA ASP 13 HA ASP 13 9.128 -10.593 0.863 538 HB2 ASP 13 2HB ASP 13 9.264 -8.358 1.825 539 HB3 ASP 13 1HB ASP 13 7.596 -8.462 2.387 540 H SER 14 HN SER 14 6.872 -11.729 -0.258 541 HA SER 14 HA SER 14 4.779 -12.371 1.454 542 HG SER 14 HG SER 14 5.170 -12.017 -1.375 543 HB2 SER 14 2HB SER 14 6.049 -14.057 -0.713 544 HB3 SER 14 1HB SER 14 4.485 -14.386 0.029 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 8.521 4.452 -6.668 2 H2 GLY 1 2H GLY 1 8.664 3.449 -5.313 3 H3 GLY 1 3H GLY 1 8.538 2.770 -6.856 4 HA2 GLY 1 1HA GLY 1 10.825 2.696 -6.010 5 HA3 GLY 1 2HA GLY 1 10.665 3.615 -7.499 6 H SER 2 HN SER 2 9.661 4.770 -4.329 7 HA SER 2 HA SER 2 11.964 6.163 -3.598 8 HG SER 2 HG SER 2 9.502 7.641 -6.081 9 HB2 SER 2 2HB SER 2 11.472 8.436 -4.296 10 HB3 SER 2 1HB SER 2 11.583 7.392 -5.711 11 H GLN 3 HN GLN 3 8.453 6.125 -3.664 12 HA GLN 3 HA GLN 3 8.309 7.429 -1.092 13 HB2 GLN 3 2HB GLN 3 5.987 7.520 -1.428 14 HB3 GLN 3 1HB GLN 3 6.661 7.702 -3.042 15 HG2 GLN 3 2HG GLN 3 5.684 5.081 -1.950 16 HG3 GLN 3 1HG GLN 3 4.676 6.194 -2.872 17 HE21 GLN 3 2HE2 GLN 3 6.049 5.401 -5.975 18 HE22 GLN 3 1HE2 GLN 3 5.073 6.492 -5.059 19 H VAL 4 HN VAL 4 7.780 6.437 0.819 20 HA VAL 4 HA VAL 4 8.295 3.583 0.889 21 HB VAL 4 HB VAL 4 7.693 5.128 3.367 22 HG11 VAL 4 1HG1 VAL 4 8.174 2.708 3.403 23 HG12 VAL 4 2HG1 VAL 4 9.327 3.653 4.339 24 HG13 VAL 4 3HG1 VAL 4 9.775 3.044 2.746 25 HG21 VAL 4 3HG2 VAL 4 9.127 6.697 2.302 26 HG22 VAL 4 1HG2 VAL 4 10.209 5.423 1.742 27 HG23 VAL 4 2HG2 VAL 4 10.116 5.806 3.461 28 H PHE 5 HN PHE 5 6.026 3.763 -0.362 29 HA PHE 5 HA PHE 5 4.227 2.262 1.113 30 HD1 PHE 5 HD1 PHE 5 2.470 5.555 -0.676 31 HD2 PHE 5 HD2 PHE 5 4.896 6.085 2.781 32 HE1 PHE 5 HE1 PHE 5 2.836 7.908 -1.298 33 HE2 PHE 5 HE2 PHE 5 5.266 8.438 2.166 34 HZ PHE 5 HZ PHE 5 4.235 9.352 0.124 35 HB2 PHE 5 2HB PHE 5 2.384 4.016 1.364 36 HB3 PHE 5 1HB PHE 5 3.712 4.105 2.510 37 H GLU 6 HN GLU 6 1.996 2.214 0.031 38 HA GLU 6 HA GLU 6 1.869 3.135 -2.699 39 HB2 GLU 6 2HB GLU 6 2.280 0.275 -1.937 40 HB3 GLU 6 1HB GLU 6 1.189 0.643 -3.266 41 HG2 GLU 6 2HG GLU 6 2.950 1.846 -4.413 42 HG3 GLU 6 1HG GLU 6 4.057 1.507 -3.084 43 H TYR 7 HN TYR 7 -0.281 3.193 -3.475 44 HA TYR 7 HA TYR 7 -2.224 2.961 -1.366 45 HD1 TYR 7 HD1 TYR 7 -0.653 4.772 -4.810 46 HD2 TYR 7 HD2 TYR 7 -4.690 3.435 -4.699 47 HE1 TYR 7 HE1 TYR 7 -0.690 4.698 -7.269 48 HE2 TYR 7 HE2 TYR 7 -4.739 3.356 -7.157 49 HH TYR 7 HH TYR 7 -1.916 3.610 -9.059 50 HB2 TYR 7 2HB TYR 7 -3.649 4.299 -2.724 51 HB3 TYR 7 1HB TYR 7 -2.045 5.007 -2.775 52 H ALA 8 HN ALA 8 -3.153 1.104 -1.042 53 HA ALA 8 HA ALA 8 -3.773 -0.679 -3.275 54 HB1 ALA 8 3HB ALA 8 -2.764 -1.400 -1.001 55 HB2 ALA 8 1HB ALA 8 -4.079 -2.365 -1.672 56 HB3 ALA 8 2HB ALA 8 -4.400 -1.205 -0.382 57 H GLU 9 HN GLU 9 -5.216 1.527 -3.614 58 HA GLU 9 HA GLU 9 -7.851 0.973 -2.484 59 HB2 GLU 9 2HB GLU 9 -7.671 3.046 -1.700 60 HB3 GLU 9 1HB GLU 9 -6.230 3.338 -2.647 61 HG2 GLU 9 2HG GLU 9 -9.030 3.651 -3.665 62 HG3 GLU 9 1HG GLU 9 -8.047 4.952 -3.029 63 H VAL 10 HN VAL 10 -9.659 1.475 -3.641 64 HA VAL 10 HA VAL 10 -9.386 0.742 -6.401 65 HB VAL 10 HB VAL 10 -11.813 0.882 -4.695 66 HG11 VAL 10 1HG1 VAL 10 -13.074 0.223 -6.472 67 HG12 VAL 10 2HG1 VAL 10 -11.775 -0.759 -7.144 68 HG13 VAL 10 3HG1 VAL 10 -11.780 0.985 -7.395 69 HG21 VAL 10 3HG2 VAL 10 -11.646 -1.508 -4.517 70 HG22 VAL 10 1HG2 VAL 10 -10.122 -0.790 -4.005 71 HG23 VAL 10 2HG2 VAL 10 -10.260 -1.527 -5.601 72 H ASP 11 HN ASP 11 -10.659 3.300 -4.399 73 HA ASP 11 HA ASP 11 -10.586 5.058 -6.742 74 HB2 ASP 11 2HB ASP 11 -12.935 4.352 -6.343 75 HB3 ASP 11 1HB ASP 11 -12.839 5.051 -4.735 76 H GLU 12 HN GLU 12 -10.538 4.774 -3.206 77 HA GLU 12 HA GLU 12 -8.922 7.157 -3.029 78 HB2 GLU 12 2HB GLU 12 -11.711 7.165 -1.888 79 HB3 GLU 12 1HB GLU 12 -10.461 8.303 -1.409 80 HG2 GLU 12 2HG GLU 12 -10.289 9.009 -3.792 81 HG3 GLU 12 1HG GLU 12 -11.681 7.984 -4.137 82 H ILE 13 HN ILE 13 -7.990 7.534 -0.945 83 HA ILE 13 HA ILE 13 -8.320 5.299 0.949 84 HB ILE 13 HB ILE 13 -5.957 5.103 1.308 85 HG12 ILE 13 2HG1 ILE 13 -5.484 7.581 1.190 86 HG13 ILE 13 1HG1 ILE 13 -4.302 6.593 0.342 87 HG21 ILE 13 1HG2 ILE 13 -6.053 3.828 -0.514 88 HG22 ILE 13 2HG2 ILE 13 -5.263 5.169 -1.341 89 HG23 ILE 13 3HG2 ILE 13 -7.013 5.009 -1.398 90 HD11 ILE 13 3HD1 ILE 13 -5.871 7.080 -1.714 91 HD12 ILE 13 1HD1 ILE 13 -4.641 8.234 -1.195 92 HD13 ILE 13 2HD1 ILE 13 -6.323 8.475 -0.733 93 H VAL 14 HN VAL 14 -6.612 6.132 2.924 94 HA VAL 14 HA VAL 14 -7.169 8.898 3.584 95 HB VAL 14 HB VAL 14 -8.244 6.637 5.278 96 HG11 VAL 14 1HG1 VAL 14 -8.132 9.591 5.894 97 HG12 VAL 14 2HG1 VAL 14 -7.209 8.325 6.704 98 HG13 VAL 14 3HG1 VAL 14 -8.965 8.371 6.855 99 HG21 VAL 14 3HG2 VAL 14 -9.622 8.958 3.929 100 HG22 VAL 14 1HG2 VAL 14 -10.399 7.742 4.943 101 HG23 VAL 14 2HG2 VAL 14 -9.675 7.275 3.404 102 H GLU 15 HN GLU 15 -6.122 5.850 5.091 103 HA GLU 15 HA GLU 15 -3.884 7.259 6.345 104 HB2 GLU 15 2HB GLU 15 -5.231 5.715 7.727 105 HB3 GLU 15 1HB GLU 15 -4.799 4.391 6.654 106 HG2 GLU 15 2HG GLU 15 -3.477 4.382 8.707 107 HG3 GLU 15 1HG GLU 15 -2.473 4.601 7.275 108 H LYS 16 HN LYS 16 -1.772 6.982 5.719 109 HA LYS 16 HA LYS 16 -1.104 4.807 3.888 110 HB2 LYS 16 2HB LYS 16 -0.033 6.510 2.315 111 HB3 LYS 16 1HB LYS 16 -1.789 6.401 2.280 112 HG2 LYS 16 2HG LYS 16 -1.952 8.386 3.677 113 HG3 LYS 16 1HG LYS 16 -0.193 8.481 3.766 114 HD2 LYS 16 2HD LYS 16 -0.908 10.043 2.117 115 HD3 LYS 16 1HD LYS 16 -0.170 8.684 1.267 116 HE2 LYS 16 2HE LYS 16 -2.355 7.778 0.754 117 HE3 LYS 16 1HE LYS 16 -3.133 9.051 1.694 118 HZ1 LYS 16 3HZ LYS 16 -3.192 9.523 -0.679 119 HZ2 LYS 16 1HZ LYS 16 -1.502 9.473 -0.753 120 HZ3 LYS 16 2HZ LYS 16 -2.274 10.682 0.142 121 H ARG 17 HN ARG 17 0.413 4.092 5.512 122 HA ARG 17 HA ARG 17 2.913 5.552 5.484 123 HE ARG 17 HE ARG 17 2.763 5.554 10.337 124 HB2 ARG 17 2HB ARG 17 3.123 5.620 7.943 125 HB3 ARG 17 1HB ARG 17 1.812 6.625 7.344 126 HG2 ARG 17 2HG ARG 17 0.281 4.660 7.870 127 HG3 ARG 17 1HG ARG 17 1.640 4.005 8.787 128 HD2 ARG 17 2HD ARG 17 0.376 6.708 9.217 129 HD3 ARG 17 1HD ARG 17 0.086 5.275 10.204 130 HH11 ARG 17 1HH1 ARG 17 0.134 7.784 10.834 131 HH12 ARG 17 2HH1 ARG 17 0.985 8.728 12.011 132 HH21 ARG 17 2HH2 ARG 17 3.121 8.162 12.611 133 HH22 ARG 17 1HH2 ARG 17 3.892 6.788 11.889 134 H GLY 18 HN GLY 18 3.861 3.724 4.491 135 HA2 GLY 18 2HA GLY 18 4.390 1.569 6.374 136 HA3 GLY 18 1HA GLY 18 3.536 1.114 4.924 137 H LYS 19 HN LYS 19 4.872 -0.060 3.827 138 HA LYS 19 HA LYS 19 7.621 0.851 3.382 139 HB2 LYS 19 2HB LYS 19 6.320 -1.849 3.377 140 HB3 LYS 19 1HB LYS 19 7.980 -1.589 2.851 141 HG2 LYS 19 2HG LYS 19 8.521 -0.708 5.082 142 HG3 LYS 19 1HG LYS 19 6.871 -1.079 5.598 143 HD2 LYS 19 2HD LYS 19 7.215 -3.413 5.072 144 HD3 LYS 19 1HD LYS 19 8.848 -3.061 4.509 145 HE2 LYS 19 2HE LYS 19 7.831 -2.644 7.321 146 HE3 LYS 19 1HE LYS 19 8.842 -3.987 6.792 147 HZ1 LYS 19 3HZ LYS 19 10.576 -2.404 6.217 148 HZ2 LYS 19 1HZ LYS 19 10.153 -2.258 7.848 149 HZ3 LYS 19 2HZ LYS 19 9.606 -1.117 6.727 150 H GLY 20 HN GLY 20 7.008 -1.595 1.239 151 HA2 GLY 20 2HA GLY 20 6.502 0.288 -0.913 152 HA3 GLY 20 1HA GLY 20 7.043 -1.382 -1.080 153 H LYS 21 HN LYS 21 5.396 -2.628 0.563 154 HA LYS 21 HA LYS 21 2.666 -2.094 -0.339 155 HB2 LYS 21 2HB LYS 21 4.225 -4.648 -0.592 156 HB3 LYS 21 1HB LYS 21 2.471 -4.680 -0.473 157 HG2 LYS 21 2HG LYS 21 2.708 -4.663 -2.733 158 HG3 LYS 21 1HG LYS 21 2.658 -2.925 -2.433 159 HD2 LYS 21 2HD LYS 21 5.040 -2.764 -2.566 160 HD3 LYS 21 1HD LYS 21 5.209 -4.520 -2.610 161 HE2 LYS 21 2HE LYS 21 3.936 -4.516 -4.754 162 HE3 LYS 21 1HE LYS 21 3.982 -2.754 -4.721 163 HZ1 LYS 21 3HZ LYS 21 6.392 -2.846 -4.771 164 HZ2 LYS 21 1HZ LYS 21 5.743 -3.670 -6.100 165 HZ3 LYS 21 2HZ LYS 21 6.355 -4.538 -4.784 166 H ASP 22 HN ASP 22 4.628 -2.333 2.279 167 HA ASP 22 HA ASP 22 2.961 -3.953 3.948 168 HB2 ASP 22 2HB ASP 22 5.526 -3.806 4.111 169 HB3 ASP 22 1HB ASP 22 5.246 -2.259 4.894 170 H VAL 23 HN VAL 23 2.455 -1.130 2.766 171 HA VAL 23 HA VAL 23 1.816 0.381 5.125 172 HB VAL 23 HB VAL 23 2.842 1.412 3.154 173 HG11 VAL 23 1HG1 VAL 23 0.713 -0.039 1.839 174 HG12 VAL 23 2HG1 VAL 23 2.172 0.676 1.164 175 HG13 VAL 23 3HG1 VAL 23 0.721 1.656 1.366 176 HG21 VAL 23 3HG2 VAL 23 0.043 2.477 3.423 177 HG22 VAL 23 1HG2 VAL 23 1.548 3.371 3.199 178 HG23 VAL 23 2HG2 VAL 23 1.211 2.582 4.739 179 H GLU 24 HN GLU 24 -0.262 1.202 5.533 180 HA GLU 24 HA GLU 24 -2.404 -0.564 4.578 181 HB2 GLU 24 2HB GLU 24 -3.647 0.320 6.612 182 HB3 GLU 24 1HB GLU 24 -2.277 -0.731 6.933 183 HG2 GLU 24 2HG GLU 24 -0.892 1.191 7.453 184 HG3 GLU 24 1HG GLU 24 -2.226 2.275 7.064 185 H TYR 25 HN TYR 25 -3.692 0.319 3.098 186 HA TYR 25 HA TYR 25 -4.158 3.210 3.157 187 HD1 TYR 25 HD1 TYR 25 -3.905 4.745 -0.010 188 HD2 TYR 25 HD2 TYR 25 -1.298 2.026 1.942 189 HE1 TYR 25 HE1 TYR 25 -2.034 6.272 -0.429 190 HE2 TYR 25 HE2 TYR 25 0.582 3.548 1.532 191 HH TYR 25 HH TYR 25 0.157 6.758 0.392 192 HB2 TYR 25 2HB TYR 25 -3.589 1.352 0.905 193 HB3 TYR 25 1HB TYR 25 -4.721 2.668 0.612 194 H LEU 26 HN LEU 26 -6.252 3.919 2.717 195 HA LEU 26 HA LEU 26 -8.326 1.979 3.292 196 HG LEU 26 HG LEU 26 -10.637 3.243 3.125 197 HB2 LEU 26 2HB LEU 26 -8.520 3.985 4.553 198 HB3 LEU 26 1HB LEU 26 -8.241 4.986 3.142 199 HD11 LEU 26 1HD1 LEU 26 -11.916 5.049 4.295 200 HD12 LEU 26 2HD1 LEU 26 -10.365 5.707 4.818 201 HD13 LEU 26 3HD1 LEU 26 -10.854 4.091 5.327 202 HD21 LEU 26 3HD2 LEU 26 -9.865 5.916 2.036 203 HD22 LEU 26 1HD2 LEU 26 -11.548 5.391 2.088 204 HD23 LEU 26 2HD2 LEU 26 -10.363 4.463 1.170 205 H VAL 27 HN VAL 27 -10.252 1.857 1.903 206 HA VAL 27 HA VAL 27 -9.793 2.908 -0.761 207 HB VAL 27 HB VAL 27 -9.316 1.094 -1.771 208 HG11 VAL 27 1HG1 VAL 27 -9.409 -0.420 0.815 209 HG12 VAL 27 2HG1 VAL 27 -8.079 0.619 0.304 210 HG13 VAL 27 3HG1 VAL 27 -8.474 -0.826 -0.625 211 HG21 VAL 27 3HG2 VAL 27 -11.677 -0.259 -0.501 212 HG22 VAL 27 1HG2 VAL 27 -10.653 -1.019 -1.716 213 HG23 VAL 27 2HG2 VAL 27 -11.572 0.430 -2.118 214 H ARG 28 HN ARG 28 -11.437 4.069 -1.261 215 HA ARG 28 HA ARG 28 -14.117 3.315 -0.431 216 HE ARG 28 HE ARG 28 -17.464 6.787 -0.909 217 HB2 ARG 28 2HB ARG 28 -13.187 5.756 -0.651 218 HB3 ARG 28 1HB ARG 28 -13.454 5.499 -2.371 219 HG2 ARG 28 2HG ARG 28 -15.816 5.062 -1.953 220 HG3 ARG 28 1HG ARG 28 -15.555 5.321 -0.227 221 HD2 ARG 28 2HD ARG 28 -14.867 7.621 -0.674 222 HD3 ARG 28 1HD ARG 28 -15.107 7.363 -2.401 223 HH11 ARG 28 1HH1 ARG 28 -15.555 9.383 -2.226 224 HH12 ARG 28 2HH1 ARG 28 -16.893 10.476 -2.350 225 HH21 ARG 28 2HH2 ARG 28 -18.984 9.813 -1.692 226 HH22 ARG 28 1HH2 ARG 28 -19.233 8.217 -1.066 227 H TRP 29 HN TRP 29 -13.910 1.319 -1.450 228 HA TRP 29 HA TRP 29 -13.307 0.382 -3.796 229 HD1 TRP 29 HD1 TRP 29 -13.410 -1.102 -5.156 230 HE1 TRP 29 HE1 TRP 29 -13.570 -3.577 -5.842 231 HE3 TRP 29 HE3 TRP 29 -16.859 -2.671 -1.726 232 HZ2 TRP 29 HZ2 TRP 29 -14.973 -5.889 -5.035 233 HZ3 TRP 29 HZ3 TRP 29 -17.558 -5.030 -1.750 234 HH2 TRP 29 HH2 TRP 29 -16.634 -6.605 -3.372 235 HB2 TRP 29 2HB TRP 29 -14.891 -0.511 -1.895 236 HB3 TRP 29 1HB TRP 29 -16.150 -0.101 -3.052 237 H LYS 30 HN LYS 30 -13.148 1.973 -5.338 238 HA LYS 30 HA LYS 30 -14.745 3.712 -6.514 239 HB2 LYS 30 2HB LYS 30 -12.662 2.893 -7.561 240 HB3 LYS 30 1HB LYS 30 -13.519 1.465 -8.120 241 HG2 LYS 30 2HG LYS 30 -13.253 3.110 -9.894 242 HG3 LYS 30 1HG LYS 30 -14.953 2.829 -9.514 243 HD2 LYS 30 2HD LYS 30 -14.990 4.868 -8.165 244 HD3 LYS 30 1HD LYS 30 -13.286 5.145 -8.536 245 HE2 LYS 30 2HE LYS 30 -13.830 5.324 -10.912 246 HE3 LYS 30 1HE LYS 30 -15.530 5.036 -10.548 247 HZ1 LYS 30 3HZ LYS 30 -15.055 7.390 -10.838 248 HZ2 LYS 30 1HZ LYS 30 -13.933 7.341 -9.572 249 HZ3 LYS 30 2HZ LYS 30 -15.573 7.070 -9.260 250 H ASP 31 HN ASP 31 -15.447 0.262 -6.648 251 HA ASP 31 HA ASP 31 -18.086 0.896 -7.799 252 HB2 ASP 31 2HB ASP 31 -16.771 -0.502 -9.315 253 HB3 ASP 31 1HB ASP 31 -16.475 -1.660 -8.021 254 H GLY 32 HN GLY 32 -18.021 1.339 -5.230 255 HA2 GLY 32 2HA GLY 32 -19.516 -0.881 -4.069 256 HA3 GLY 32 1HA GLY 32 -18.060 -0.373 -3.217 257 H GLY 33 HN GLY 33 -19.506 0.043 -1.439 258 HA2 GLY 33 2HA GLY 33 -20.422 2.807 -1.492 259 HA3 GLY 33 1HA GLY 33 -21.640 1.594 -1.125 260 H ASP 34 HN ASP 34 -18.308 1.236 -0.147 261 HA ASP 34 HA ASP 34 -18.923 2.097 2.575 262 HB2 ASP 34 2HB ASP 34 -17.867 -0.668 1.929 263 HB3 ASP 34 1HB ASP 34 -18.098 -0.003 3.544 264 H CYS 35 HN CYS 35 -16.818 1.697 3.968 265 HA CYS 35 HA CYS 35 -14.428 2.246 2.358 266 HG CYS 35 HG CYS 35 -16.807 4.979 2.663 267 HB2 CYS 35 2HB CYS 35 -15.392 3.924 4.682 268 HB3 CYS 35 1HB CYS 35 -13.797 4.063 3.952 269 H GLU 36 HN GLU 36 -12.762 1.039 2.981 270 HA GLU 36 HA GLU 36 -12.502 0.257 5.786 271 HB2 GLU 36 2HB GLU 36 -13.755 -1.548 4.598 272 HB3 GLU 36 1HB GLU 36 -12.372 -1.751 3.532 273 HG2 GLU 36 2HG GLU 36 -12.408 -3.431 5.293 274 HG3 GLU 36 1HG GLU 36 -10.984 -2.398 5.410 275 H TRP 37 HN TRP 37 -10.359 -0.754 6.231 276 HA TRP 37 HA TRP 37 -8.302 0.646 4.710 277 HD1 TRP 37 HD1 TRP 37 -8.908 2.580 5.831 278 HE1 TRP 37 HE1 TRP 37 -9.762 4.101 7.723 279 HE3 TRP 37 HE3 TRP 37 -8.023 -0.506 9.808 280 HZ2 TRP 37 HZ2 TRP 37 -10.024 4.003 10.532 281 HZ3 TRP 37 HZ3 TRP 37 -8.604 0.283 12.065 282 HH2 TRP 37 HH2 TRP 37 -9.583 2.492 12.418 283 HB2 TRP 37 2HB TRP 37 -8.075 -0.861 7.320 284 HB3 TRP 37 1HB TRP 37 -6.851 0.180 6.606 285 H VAL 38 HN VAL 38 -6.511 -0.344 3.824 286 HA VAL 38 HA VAL 38 -6.867 -3.151 3.136 287 HB VAL 38 HB VAL 38 -4.709 -1.249 2.206 288 HG11 VAL 38 1HG1 VAL 38 -3.895 -3.349 1.718 289 HG12 VAL 38 2HG1 VAL 38 -4.809 -2.988 0.254 290 HG13 VAL 38 3HG1 VAL 38 -5.502 -4.033 1.487 291 HG21 VAL 38 3HG2 VAL 38 -7.275 -0.813 1.696 292 HG22 VAL 38 1HG2 VAL 38 -6.977 -2.032 0.459 293 HG23 VAL 38 2HG2 VAL 38 -6.023 -0.549 0.483 294 H LYS 39 HN LYS 39 -4.978 -4.620 3.251 295 HA LYS 39 HA LYS 39 -3.960 -4.640 5.870 296 HB2 LYS 39 2HB LYS 39 -4.419 -6.719 4.728 297 HB3 LYS 39 1HB LYS 39 -3.251 -6.329 3.476 298 HG2 LYS 39 2HG LYS 39 -1.432 -6.535 5.028 299 HG3 LYS 39 1HG LYS 39 -2.553 -6.752 6.373 300 HD2 LYS 39 2HD LYS 39 -2.725 -8.619 4.059 301 HD3 LYS 39 1HD LYS 39 -1.394 -8.813 5.200 302 HE2 LYS 39 2HE LYS 39 -3.285 -10.217 5.820 303 HE3 LYS 39 1HE LYS 39 -2.990 -8.980 7.041 304 HZ1 LYS 39 3HZ LYS 39 -5.010 -8.661 4.898 305 HZ2 LYS 39 1HZ LYS 39 -4.842 -7.750 6.312 306 HZ3 LYS 39 2HZ LYS 39 -5.375 -9.352 6.398 307 H GLY 40 HN GLY 40 -2.497 -3.346 6.616 308 HA2 GLY 40 2HA GLY 40 -0.279 -2.503 4.908 309 HA3 GLY 40 1HA GLY 40 -0.739 -1.763 6.432 310 H VAL 41 HN VAL 41 -0.247 -5.173 5.735 311 HA VAL 41 HA VAL 41 2.021 -5.173 7.619 312 HB VAL 41 HB VAL 41 0.439 -7.637 7.032 313 HG11 VAL 41 1HG1 VAL 41 1.179 -8.251 9.288 314 HG12 VAL 41 2HG1 VAL 41 1.998 -6.696 9.430 315 HG13 VAL 41 3HG1 VAL 41 2.532 -7.866 8.224 316 HG21 VAL 41 3HG2 VAL 41 -0.312 -5.545 9.074 317 HG22 VAL 41 1HG2 VAL 41 -0.993 -7.170 8.992 318 HG23 VAL 41 2HG2 VAL 41 -1.262 -6.033 7.671 319 H HIS 42 HN HIS 42 1.418 -5.231 4.428 320 HA HIS 42 HA HIS 42 2.864 -7.561 3.650 321 HD1 HIS 42 HD1 HIS 42 3.354 -7.708 0.128 322 HD2 HIS 42 HD2 HIS 42 -0.198 -8.083 2.250 323 HE1 HIS 42 HE1 HIS 42 2.241 -9.770 -0.781 324 HE2 HIS 42 HE2 HIS 42 0.143 -10.035 0.587 325 HB2 HIS 42 2HB HIS 42 1.238 -5.639 2.357 326 HB3 HIS 42 1HB HIS 42 2.799 -5.658 1.531 327 H VAL 43 HN VAL 43 4.571 -7.287 5.020 328 HA VAL 43 HA VAL 43 6.468 -5.265 4.904 329 HB VAL 43 HB VAL 43 6.441 -6.812 6.729 330 HG11 VAL 43 1HG1 VAL 43 5.712 -8.795 5.476 331 HG12 VAL 43 2HG1 VAL 43 7.096 -9.135 6.513 332 HG13 VAL 43 3HG1 VAL 43 7.324 -8.934 4.778 333 HG21 VAL 43 3HG2 VAL 43 8.611 -5.733 5.983 334 HG22 VAL 43 1HG2 VAL 43 9.040 -7.301 5.299 335 HG23 VAL 43 2HG2 VAL 43 8.755 -7.143 7.032 336 H ALA 44 HN ALA 44 6.412 -4.952 2.557 337 HA ALA 44 HA ALA 44 8.237 -6.697 1.107 338 HB1 ALA 44 3HB ALA 44 6.796 -4.224 0.133 339 HB2 ALA 44 1HB ALA 44 6.182 -5.871 -0.021 340 HB3 ALA 44 2HB ALA 44 7.660 -5.399 -0.858 341 H GLU 45 HN GLU 45 9.501 -5.706 3.162 342 HA GLU 45 HA GLU 45 10.610 -3.232 3.288 343 HB2 GLU 45 2HB GLU 45 11.084 -5.013 4.900 344 HB3 GLU 45 1HB GLU 45 12.057 -5.854 3.701 345 HG2 GLU 45 2HG GLU 45 13.644 -4.019 3.672 346 HG3 GLU 45 1HG GLU 45 12.655 -3.130 4.831 347 H ASP 46 HN ASP 46 11.274 -5.715 0.966 348 HA ASP 46 HA ASP 46 13.678 -4.593 -0.091 349 HB2 ASP 46 2HB ASP 46 13.250 -6.063 -2.029 350 HB3 ASP 46 1HB ASP 46 13.118 -6.922 -0.498 351 H VAL 47 HN VAL 47 10.268 -4.385 -1.032 352 HA VAL 47 HA VAL 47 10.611 -2.782 -3.299 353 HB VAL 47 HB VAL 47 8.285 -2.808 -1.374 354 HG11 VAL 47 1HG1 VAL 47 8.360 -1.947 -4.262 355 HG12 VAL 47 2HG1 VAL 47 8.371 -0.839 -2.889 356 HG13 VAL 47 3HG1 VAL 47 6.977 -1.882 -3.170 357 HG21 VAL 47 3HG2 VAL 47 7.285 -4.438 -2.838 358 HG22 VAL 47 1HG2 VAL 47 8.869 -5.020 -2.330 359 HG23 VAL 47 2HG2 VAL 47 8.656 -4.342 -3.943 360 H ALA 48 HN ALA 48 10.121 -1.962 0.039 361 HA ALA 48 HA ALA 48 10.111 0.843 -0.087 362 HB1 ALA 48 3HB ALA 48 10.369 0.746 2.326 363 HB2 ALA 48 1HB ALA 48 10.752 -0.972 2.224 364 HB3 ALA 48 2HB ALA 48 9.148 -0.399 1.771 365 H LYS 49 HN LYS 49 12.619 -1.394 1.156 366 HA LYS 49 HA LYS 49 14.600 0.545 1.500 367 HB2 LYS 49 2HB LYS 49 14.606 -2.422 1.191 368 HB3 LYS 49 1HB LYS 49 16.139 -1.576 1.037 369 HG2 LYS 49 2HG LYS 49 15.597 -2.449 3.328 370 HG3 LYS 49 1HG LYS 49 16.011 -0.736 3.241 371 HD2 LYS 49 2HD LYS 49 13.622 -0.169 3.274 372 HD3 LYS 49 1HD LYS 49 13.224 -1.884 3.391 373 HE2 LYS 49 2HE LYS 49 14.402 -2.029 5.515 374 HE3 LYS 49 1HE LYS 49 14.850 -0.327 5.395 375 HZ1 LYS 49 3HZ LYS 49 12.066 -1.348 5.550 376 HZ2 LYS 49 1HZ LYS 49 12.531 0.278 5.512 377 HZ3 LYS 49 2HZ LYS 49 12.931 -0.685 6.844 378 H ASP 50 HN ASP 50 13.557 -1.229 -1.310 379 HA ASP 50 HA ASP 50 15.721 -0.113 -2.898 380 HB2 ASP 50 2HB ASP 50 15.291 -1.729 -4.463 381 HB3 ASP 50 1HB ASP 50 14.691 -2.538 -3.021 382 H TYR 51 HN TYR 51 12.492 0.607 -2.051 383 HA TYR 51 HA TYR 51 11.789 2.018 -4.381 384 HD1 TYR 51 HD1 TYR 51 10.775 0.589 -4.905 385 HD2 TYR 51 HD2 TYR 51 7.801 2.283 -2.369 386 HE1 TYR 51 HE1 TYR 51 9.022 -0.459 -6.264 387 HE2 TYR 51 HE2 TYR 51 6.046 1.234 -3.723 388 HH TYR 51 HH TYR 51 6.703 -1.163 -6.053 389 HB2 TYR 51 2HB TYR 51 10.589 1.602 -1.778 390 HB3 TYR 51 1HB TYR 51 10.222 3.158 -2.474 391 H GLU 52 HN GLU 52 12.460 3.047 -1.097 392 HA GLU 52 HA GLU 52 13.071 5.734 -1.998 393 HB2 GLU 52 2HB GLU 52 12.885 6.431 0.258 394 HB3 GLU 52 1HB GLU 52 11.587 5.275 -0.004 395 HG2 GLU 52 2HG GLU 52 12.959 3.532 1.067 396 HG3 GLU 52 1HG GLU 52 14.204 4.739 1.383 397 H ASP 53 HN ASP 53 14.591 3.175 -0.073 398 HA ASP 53 HA ASP 53 17.100 4.531 0.104 399 HB2 ASP 53 2HB ASP 53 15.939 1.995 1.047 400 HB3 ASP 53 1HB ASP 53 17.676 1.946 0.739 401 H GLY 54 HN GLY 54 15.614 2.475 -2.223 402 HA2 GLY 54 2HA GLY 54 17.946 1.363 -3.387 403 HA3 GLY 54 1HA GLY 54 16.384 1.534 -4.175 404 H LEU 55 HN LEU 55 16.093 4.299 -4.100 405 HA LEU 55 HA LEU 55 17.900 5.054 -6.224 406 HG LEU 55 HG LEU 55 14.795 4.713 -6.398 407 HB2 LEU 55 2HB LEU 55 15.568 6.469 -4.934 408 HB3 LEU 55 1HB LEU 55 16.530 7.173 -6.220 409 HD11 LEU 55 1HD1 LEU 55 14.643 7.385 -7.788 410 HD12 LEU 55 2HD1 LEU 55 13.606 6.852 -6.465 411 HD13 LEU 55 3HD1 LEU 55 13.545 6.023 -8.020 412 HD21 LEU 55 3HD2 LEU 55 16.823 4.356 -7.687 413 HD22 LEU 55 1HD2 LEU 55 16.620 5.921 -8.474 414 HD23 LEU 55 2HD2 LEU 55 15.451 4.633 -8.762 415 H GLU 56 HN GLU 56 16.903 6.645 -3.186 416 HA GLU 56 HA GLU 56 19.355 8.194 -3.179 417 HB2 GLU 56 2HB GLU 56 17.064 8.165 -1.225 418 HB3 GLU 56 1HB GLU 56 18.398 9.305 -1.209 419 HG2 GLU 56 2HG GLU 56 16.329 9.010 -3.374 420 HG3 GLU 56 1HG GLU 56 16.425 10.307 -2.184 421 H TYR 57 HN TYR 57 20.380 5.896 -3.020 422 HA TYR 57 HA TYR 57 20.437 4.765 -0.369 423 HD1 TYR 57 HD1 TYR 57 20.823 1.828 -0.291 424 HD2 TYR 57 HD2 TYR 57 24.227 3.799 -1.913 425 HE1 TYR 57 HE1 TYR 57 22.294 0.328 0.987 426 HE2 TYR 57 HE2 TYR 57 25.706 2.303 -0.641 427 HH TYR 57 HH TYR 57 24.628 -0.521 0.850 428 HB2 TYR 57 2HB TYR 57 20.641 3.274 -2.271 429 HB3 TYR 57 1HB TYR 57 22.045 4.159 -2.859 430 HA ALA 1 HA ALA 1 -14.383 -10.291 2.828 431 H1 ALA 1 1H ALA 1 -16.154 -10.548 5.188 432 H2 ALA 1 2H ALA 1 -14.463 -10.528 5.214 433 H3 ALA 1 3H ALA 1 -15.283 -11.804 4.463 434 HB1 ALA 1 3HB ALA 1 -17.391 -10.177 3.011 435 HB2 ALA 1 1HB ALA 1 -16.449 -11.507 2.338 436 HB3 ALA 1 2HB ALA 1 -16.426 -9.927 1.556 437 HA PRO 2 HA PRO 2 -14.553 -6.140 4.749 438 HB2 PRO 2 1HB PRO 2 -12.309 -6.347 5.232 439 HB3 PRO 2 2HB PRO 2 -12.164 -5.315 3.804 440 HG2 PRO 2 2HG PRO 2 -11.667 -7.104 2.405 441 HG3 PRO 2 1HG PRO 2 -10.903 -7.652 3.909 442 HD2 PRO 2 2HD PRO 2 -12.758 -9.123 2.583 443 HD3 PRO 2 1HD PRO 2 -12.571 -9.179 4.348 444 HA PRO 3 HA PRO 3 -16.022 -4.620 0.716 445 HB2 PRO 3 1HB PRO 3 -18.123 -4.494 1.665 446 HB3 PRO 3 2HB PRO 3 -17.720 -2.774 1.703 447 HG2 PRO 3 2HG PRO 3 -17.101 -2.840 3.944 448 HG3 PRO 3 1HG PRO 3 -18.400 -4.048 3.936 449 HD2 PRO 3 2HD PRO 3 -15.887 -4.589 4.815 450 HD3 PRO 3 1HD PRO 3 -16.928 -5.813 4.061 451 H GLY 4 HN GLY 4 -13.556 -3.848 1.067 452 HA2 GLY 4 2HA GLY 4 -13.320 -1.297 0.084 453 HA3 GLY 4 1HA GLY 4 -13.232 -1.103 1.828 454 H THR 5 HN THR 5 -11.769 -2.821 -0.898 455 HA THR 5 HA THR 5 -9.149 -2.413 0.264 456 HB THR 5 HB THR 5 -8.479 -4.778 0.085 457 HG1 THR 5 HG1 THR 5 -11.208 -5.078 -0.617 458 HG21 THR 5 3HG2 THR 5 -9.631 -5.590 2.083 459 HG22 THR 5 1HG2 THR 5 -10.868 -4.349 1.882 460 HG23 THR 5 2HG2 THR 5 -9.207 -3.887 2.253 461 H ALA 6 HN ALA 6 -7.402 -3.187 -1.202 462 HA ALA 6 HA ALA 6 -8.026 -3.712 -3.949 463 HB1 ALA 6 3HB ALA 6 -7.917 -0.999 -3.150 464 HB2 ALA 6 1HB ALA 6 -8.055 -1.654 -4.781 465 HB3 ALA 6 2HB ALA 6 -6.466 -1.331 -4.094 466 H ARG 7 HN ARG 7 -5.633 -2.887 -5.118 467 HA ARG 7 HA ARG 7 -3.448 -3.790 -3.448 468 HE ARG 7 HE ARG 7 -5.382 -8.253 -2.576 469 HB2 ARG 7 2HB ARG 7 -4.312 -5.400 -5.854 470 HB3 ARG 7 1HB ARG 7 -2.823 -5.649 -4.953 471 HG2 ARG 7 2HG ARG 7 -4.124 -6.192 -2.955 472 HG3 ARG 7 1HG ARG 7 -5.616 -5.948 -3.866 473 HD2 ARG 7 2HD ARG 7 -5.067 -7.774 -5.341 474 HD3 ARG 7 1HD ARG 7 -3.491 -7.965 -4.575 475 HH11 ARG 7 1HH1 ARG 7 -4.524 -9.851 -5.547 476 HH12 ARG 7 2HH1 ARG 7 -5.048 -11.413 -5.011 477 HH21 ARG 7 2HH2 ARG 7 -5.930 -11.671 -2.912 478 HH22 ARG 7 1HH2 ARG 7 -6.075 -10.304 -1.857 479 H ARG 8 HN ARG 8 -1.954 -2.328 -3.860 480 HA ARG 8 HA ARG 8 -1.784 -0.712 -6.111 481 HE ARG 8 HE ARG 8 0.793 -1.710 -0.603 482 HB2 ARG 8 2HB ARG 8 0.689 -0.468 -5.286 483 HB3 ARG 8 1HB ARG 8 -0.638 0.156 -4.318 484 HG2 ARG 8 2HG ARG 8 0.060 -2.618 -3.711 485 HG3 ARG 8 1HG ARG 8 1.359 -1.462 -3.405 486 HD2 ARG 8 2HD ARG 8 -0.126 -0.123 -2.031 487 HD3 ARG 8 1HD ARG 8 -1.463 -1.207 -2.378 488 HH11 ARG 8 1HH1 ARG 8 -2.126 -2.965 -2.082 489 HH12 ARG 8 2HH1 ARG 8 -2.296 -4.238 -0.929 490 HH21 ARG 8 2HH2 ARG 8 -0.794 -4.477 0.756 491 HH22 ARG 8 1HH2 ARG 8 0.537 -3.381 0.901 492 H LYS 9 HN LYS 9 0.066 -3.673 -5.342 493 HA LYS 9 HA LYS 9 0.449 -4.102 -8.183 494 HB2 LYS 9 2HB LYS 9 2.761 -3.744 -6.265 495 HB3 LYS 9 1HB LYS 9 2.922 -4.432 -7.875 496 HG2 LYS 9 2HG LYS 9 2.088 -2.331 -8.841 497 HG3 LYS 9 1HG LYS 9 1.990 -1.645 -7.217 498 HD2 LYS 9 2HD LYS 9 4.397 -1.935 -6.940 499 HD3 LYS 9 1HD LYS 9 4.505 -2.662 -8.546 500 HE2 LYS 9 2HE LYS 9 3.684 -0.564 -9.530 501 HE3 LYS 9 1HE LYS 9 3.624 0.156 -7.921 502 HZ1 LYS 9 3HZ LYS 9 5.636 0.800 -9.051 503 HZ2 LYS 9 1HZ LYS 9 6.059 -0.817 -9.316 504 HZ3 LYS 9 2HZ LYS 9 6.027 -0.197 -7.743 505 H ARG 10 HN ARG 10 2.160 -6.171 -8.246 506 HA ARG 10 HA ARG 10 0.705 -8.381 -7.434 507 HE ARG 10 HE ARG 10 6.565 -7.364 -7.850 508 HB2 ARG 10 2HB ARG 10 2.812 -9.651 -7.820 509 HB3 ARG 10 1HB ARG 10 2.432 -8.533 -9.127 510 HG2 ARG 10 2HG ARG 10 4.118 -7.054 -8.525 511 HG3 ARG 10 1HG ARG 10 4.247 -7.714 -6.896 512 HD2 ARG 10 2HD ARG 10 5.152 -9.805 -7.856 513 HD3 ARG 10 1HD ARG 10 5.089 -9.072 -9.458 514 HH11 ARG 10 1HH1 ARG 10 6.786 -10.630 -9.038 515 HH12 ARG 10 2HH1 ARG 10 8.519 -10.654 -9.026 516 HH21 ARG 10 2HH2 ARG 10 9.688 -8.810 -8.336 517 HH22 ARG 10 1HH2 ARG 10 8.843 -7.385 -7.828 518 H LYS 11 HN LYS 11 3.060 -6.478 -5.741 519 HA LYS 11 HA LYS 11 3.492 -6.312 -3.501 520 HB2 LYS 11 2HB LYS 11 2.027 -8.908 -3.045 521 HB3 LYS 11 1HB LYS 11 2.446 -7.682 -1.862 522 HG2 LYS 11 2HG LYS 11 0.903 -6.117 -3.004 523 HG3 LYS 11 1HG LYS 11 0.412 -7.442 -4.063 524 HD2 LYS 11 2HD LYS 11 -0.313 -8.728 -2.114 525 HD3 LYS 11 1HD LYS 11 0.181 -7.405 -1.057 526 HE2 LYS 11 2HE LYS 11 -1.459 -5.938 -2.104 527 HE3 LYS 11 1HE LYS 11 -1.928 -7.231 -3.208 528 HZ1 LYS 11 3HZ LYS 11 -2.183 -7.374 -0.253 529 HZ2 LYS 11 1HZ LYS 11 -2.746 -8.511 -1.372 530 HZ3 LYS 11 2HZ LYS 11 -3.445 -6.973 -1.304 531 H ALA 12 HN ALA 12 5.624 -6.562 -3.631 532 HA ALA 12 HA ALA 12 7.102 -8.725 -4.444 533 HB1 ALA 12 3HB ALA 12 8.071 -6.531 -4.020 534 HB2 ALA 12 1HB ALA 12 8.966 -7.788 -3.168 535 HB3 ALA 12 2HB ALA 12 7.844 -6.755 -2.285 536 H ASP 13 HN ASP 13 5.394 -8.328 -1.454 537 HA ASP 13 HA ASP 13 6.644 -10.775 -0.401 538 HB2 ASP 13 2HB ASP 13 6.802 -8.766 1.047 539 HB3 ASP 13 1HB ASP 13 5.044 -8.685 1.093 540 H SER 14 HN SER 14 4.876 -11.249 -2.372 541 HA SER 14 HA SER 14 2.205 -11.607 -1.388 542 HG SER 14 HG SER 14 4.413 -12.226 -4.367 543 HB2 SER 14 2HB SER 14 1.802 -12.747 -3.534 544 HB3 SER 14 1HB SER 14 2.623 -11.205 -3.775 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 8.264 4.548 -6.681 2 H2 GLY 1 2H GLY 1 8.457 3.568 -5.315 3 H3 GLY 1 3H GLY 1 8.339 2.867 -6.848 4 HA2 GLY 1 1HA GLY 1 10.634 2.877 -6.040 5 HA3 GLY 1 2HA GLY 1 10.425 3.790 -7.527 6 H SER 2 HN SER 2 9.464 4.865 -4.302 7 HA SER 2 HA SER 2 11.710 6.351 -3.623 8 HG SER 2 HG SER 2 9.387 8.883 -5.800 9 HB2 SER 2 2HB SER 2 11.056 8.630 -4.269 10 HB3 SER 2 1HB SER 2 11.321 7.610 -5.681 11 H GLN 3 HN GLN 3 8.214 6.146 -3.614 12 HA GLN 3 HA GLN 3 8.042 7.487 -1.058 13 HB2 GLN 3 2HB GLN 3 5.958 6.203 -2.790 14 HB3 GLN 3 1HB GLN 3 5.607 6.998 -1.268 15 HG2 GLN 3 2HG GLN 3 6.485 9.096 -2.180 16 HG3 GLN 3 1HG GLN 3 6.790 8.287 -3.716 17 HE21 GLN 3 2HE2 GLN 3 3.483 10.122 -3.612 18 HE22 GLN 3 1HE2 GLN 3 5.066 10.565 -3.083 19 H VAL 4 HN VAL 4 7.606 6.505 0.873 20 HA VAL 4 HA VAL 4 8.197 3.666 0.988 21 HB VAL 4 HB VAL 4 9.359 5.181 2.529 22 HG11 VAL 4 1HG1 VAL 4 8.173 6.265 4.360 23 HG12 VAL 4 2HG1 VAL 4 6.635 5.691 3.718 24 HG13 VAL 4 3HG1 VAL 4 7.596 6.849 2.799 25 HG21 VAL 4 3HG2 VAL 4 8.239 3.930 4.691 26 HG22 VAL 4 1HG2 VAL 4 9.465 3.238 3.629 27 HG23 VAL 4 2HG2 VAL 4 7.763 2.888 3.352 28 H PHE 5 HN PHE 5 5.819 3.955 -0.215 29 HA PHE 5 HA PHE 5 4.096 2.364 1.270 30 1HB PHE 5 2HB PHE 5 2.282 4.246 1.567 31 2HB PHE 5 1HB PHE 5 3.513 3.996 2.789 32 HD1 PHE 5 HD1 PHE 5 3.783 4.901 3.608 33 HD2 PHE 5 HD2 PHE 5 4.040 6.631 -0.272 34 HE1 PHE 5 HE1 PHE 5 6.198 5.251 3.927 35 HE2 PHE 5 HE2 PHE 5 6.455 6.981 0.040 36 HZ PHE 5 HZ PHE 5 4.818 9.438 1.322 37 H GLU 6 HN GLU 6 2.303 1.721 0.075 38 HA GLU 6 HA GLU 6 1.891 3.053 -2.522 39 HB2 GLU 6 2HB GLU 6 2.304 0.164 -1.907 40 HB3 GLU 6 1HB GLU 6 1.202 0.593 -3.207 41 HG2 GLU 6 2HG GLU 6 2.962 1.865 -4.295 42 HG3 GLU 6 1HG GLU 6 4.079 1.434 -3.001 43 H TYR 7 HN TYR 7 -0.216 3.222 -3.261 44 HA TYR 7 HA TYR 7 -2.220 2.794 -1.235 45 HD1 TYR 7 HD1 TYR 7 -4.014 3.268 -5.005 46 HD2 TYR 7 HD2 TYR 7 -0.518 5.456 -3.967 47 HE1 TYR 7 HE1 TYR 7 -3.529 3.613 -7.392 48 HE2 TYR 7 HE2 TYR 7 -0.021 5.805 -6.349 49 HH TYR 7 HH TYR 7 -0.529 4.790 -8.503 50 HB2 TYR 7 2HB TYR 7 -3.658 4.123 -2.710 51 HB3 TYR 7 1HB TYR 7 -2.173 4.957 -2.305 52 H ALA 8 HN ALA 8 -3.197 0.979 -1.093 53 HA ALA 8 HA ALA 8 -3.673 -0.616 -3.513 54 HB1 ALA 8 3HB ALA 8 -3.417 -1.254 -0.605 55 HB2 ALA 8 1HB ALA 8 -2.661 -2.028 -1.998 56 HB3 ALA 8 2HB ALA 8 -4.362 -2.318 -1.641 57 H GLU 9 HN GLU 9 -5.297 1.427 -3.640 58 HA GLU 9 HA GLU 9 -7.836 0.520 -2.496 59 HB2 GLU 9 2HB GLU 9 -8.429 2.635 -1.968 60 HB3 GLU 9 1HB GLU 9 -6.697 2.780 -1.833 61 HG2 GLU 9 2HG GLU 9 -8.368 3.624 -4.182 62 HG3 GLU 9 1HG GLU 9 -7.676 4.689 -2.963 63 H VAL 10 HN VAL 10 -9.729 1.190 -3.588 64 HA VAL 10 HA VAL 10 -9.435 0.486 -6.332 65 HB VAL 10 HB VAL 10 -11.871 0.712 -4.660 66 HG11 VAL 10 1HG1 VAL 10 -13.157 0.162 -6.441 67 HG12 VAL 10 2HG1 VAL 10 -11.936 -0.929 -7.092 68 HG13 VAL 10 3HG1 VAL 10 -11.808 0.805 -7.379 69 HG21 VAL 10 3HG2 VAL 10 -10.009 -1.512 -5.306 70 HG22 VAL 10 1HG2 VAL 10 -11.707 -1.863 -4.994 71 HG23 VAL 10 2HG2 VAL 10 -10.733 -1.064 -3.761 72 H ASP 11 HN ASP 11 -10.355 3.235 -4.450 73 HA ASP 11 HA ASP 11 -10.271 4.859 -6.853 74 HB2 ASP 11 2HB ASP 11 -12.588 4.418 -6.903 75 HB3 ASP 11 1HB ASP 11 -12.760 4.606 -5.166 76 H GLU 12 HN GLU 12 -10.452 4.707 -3.329 77 HA GLU 12 HA GLU 12 -8.812 7.097 -3.181 78 HB2 GLU 12 2HB GLU 12 -11.604 7.033 -2.052 79 HB3 GLU 12 1HB GLU 12 -10.382 8.174 -1.509 80 HG2 GLU 12 2HG GLU 12 -10.194 9.027 -3.810 81 HG3 GLU 12 1HG GLU 12 -11.475 7.922 -4.302 82 H ILE 13 HN ILE 13 -8.158 7.601 -0.901 83 HA ILE 13 HA ILE 13 -8.372 5.309 0.915 84 HB ILE 13 HB ILE 13 -6.006 5.089 1.279 85 HG12 ILE 13 2HG1 ILE 13 -5.477 7.536 1.133 86 HG13 ILE 13 1HG1 ILE 13 -4.346 6.543 0.219 87 HG21 ILE 13 1HG2 ILE 13 -7.195 4.509 -1.099 88 HG22 ILE 13 2HG2 ILE 13 -5.610 3.954 -0.596 89 HG23 ILE 13 3HG2 ILE 13 -5.761 5.381 -1.618 90 HD11 ILE 13 3HD1 ILE 13 -5.972 7.052 -1.761 91 HD12 ILE 13 1HD1 ILE 13 -4.752 8.230 -1.265 92 HD13 ILE 13 2HD1 ILE 13 -6.426 8.427 -0.749 93 H VAL 14 HN VAL 14 -6.700 6.114 2.905 94 HA VAL 14 HA VAL 14 -7.159 8.912 3.514 95 HB VAL 14 HB VAL 14 -8.371 6.707 5.190 96 HG11 VAL 14 1HG1 VAL 14 -7.283 8.289 6.677 97 HG12 VAL 14 2HG1 VAL 14 -9.034 8.486 6.765 98 HG13 VAL 14 3HG1 VAL 14 -8.062 9.638 5.848 99 HG21 VAL 14 3HG2 VAL 14 -10.456 7.867 4.811 100 HG22 VAL 14 1HG2 VAL 14 -9.692 7.511 3.262 101 HG23 VAL 14 2HG2 VAL 14 -9.621 9.143 3.925 102 H GLU 15 HN GLU 15 -6.153 5.802 4.901 103 HA GLU 15 HA GLU 15 -3.976 7.127 6.326 104 HB2 GLU 15 2HB GLU 15 -5.275 5.461 7.556 105 HB3 GLU 15 1HB GLU 15 -4.902 4.245 6.342 106 HG2 GLU 15 2HG GLU 15 -3.537 3.958 8.329 107 HG3 GLU 15 1HG GLU 15 -2.544 4.362 6.929 108 H LYS 16 HN LYS 16 -1.826 6.877 5.797 109 HA LYS 16 HA LYS 16 -1.072 4.925 3.779 110 HB2 LYS 16 2HB LYS 16 0.054 6.773 2.421 111 HB3 LYS 16 1HB LYS 16 -1.694 6.648 2.288 112 HG2 LYS 16 2HG LYS 16 -1.952 8.504 3.844 113 HG3 LYS 16 1HG LYS 16 -0.198 8.614 4.012 114 HD2 LYS 16 2HD LYS 16 -0.997 10.298 2.458 115 HD3 LYS 16 1HD LYS 16 -0.019 9.102 1.605 116 HE2 LYS 16 2HE LYS 16 -2.053 7.980 0.843 117 HE3 LYS 16 1HE LYS 16 -3.034 9.164 1.706 118 HZ1 LYS 16 3HZ LYS 16 -2.881 9.712 -0.632 119 HZ2 LYS 16 1HZ LYS 16 -1.190 9.746 -0.549 120 HZ3 LYS 16 2HZ LYS 16 -2.101 10.897 0.290 121 H ARG 17 HN ARG 17 0.360 4.062 5.380 122 HA ARG 17 HA ARG 17 2.840 5.507 5.677 123 HE ARG 17 HE ARG 17 2.901 7.871 7.607 124 HB2 ARG 17 2HB ARG 17 1.572 6.452 7.538 125 HB3 ARG 17 1HB ARG 17 1.205 4.837 8.129 126 HG2 ARG 17 2HG ARG 17 2.986 5.867 9.424 127 HG3 ARG 17 1HG ARG 17 3.575 4.446 8.557 128 HD2 ARG 17 2HD ARG 17 5.169 6.294 8.428 129 HD3 ARG 17 1HD ARG 17 4.535 5.878 6.836 130 HH11 ARG 17 1HH1 ARG 17 6.369 7.562 7.558 131 HH12 ARG 17 2HH1 ARG 17 6.645 9.252 7.303 132 HH21 ARG 17 2HH2 ARG 17 4.872 10.695 7.139 133 HH22 ARG 17 1HH2 ARG 17 3.252 10.098 7.269 134 H GLY 18 HN GLY 18 3.808 3.725 4.621 135 HA2 GLY 18 2HA GLY 18 4.179 1.432 6.364 136 HA3 GLY 18 1HA GLY 18 3.389 1.104 4.839 137 H LYS 19 HN LYS 19 4.730 0.032 3.670 138 HA LYS 19 HA LYS 19 7.481 0.986 3.348 139 HB2 LYS 19 2HB LYS 19 6.277 -1.758 3.385 140 HB3 LYS 19 1HB LYS 19 7.935 -1.455 2.862 141 HG2 LYS 19 2HG LYS 19 8.463 -0.526 5.050 142 HG3 LYS 19 1HG LYS 19 6.804 -0.826 5.576 143 HD2 LYS 19 2HD LYS 19 7.090 -3.184 5.278 144 HD3 LYS 19 1HD LYS 19 8.703 -2.943 4.601 145 HE2 LYS 19 2HE LYS 19 9.460 -2.008 6.731 146 HE3 LYS 19 1HE LYS 19 7.847 -2.223 7.408 147 HZ1 LYS 19 3HZ LYS 19 9.259 -4.005 8.111 148 HZ2 LYS 19 1HZ LYS 19 9.687 -4.371 6.516 149 HZ3 LYS 19 2HZ LYS 19 8.100 -4.624 7.047 150 H GLY 20 HN GLY 20 7.015 -1.494 1.224 151 HA2 GLY 20 2HA GLY 20 6.436 0.331 -0.957 152 HA3 GLY 20 1HA GLY 20 7.071 -1.306 -1.088 153 H LYS 21 HN LYS 21 5.441 -2.591 0.580 154 HA LYS 21 HA LYS 21 2.721 -2.235 -0.439 155 HB2 LYS 21 2HB LYS 21 4.448 -4.205 -1.330 156 HB3 LYS 21 1HB LYS 21 3.478 -5.034 -0.124 157 HG2 LYS 21 2HG LYS 21 2.277 -3.400 -2.332 158 HG3 LYS 21 1HG LYS 21 2.638 -5.121 -2.495 159 HD2 LYS 21 2HD LYS 21 0.461 -5.251 -1.797 160 HD3 LYS 21 1HD LYS 21 1.274 -5.257 -0.232 161 HE2 LYS 21 2HE LYS 21 0.922 -2.828 -0.061 162 HE3 LYS 21 1HE LYS 21 0.073 -2.854 -1.605 163 HZ1 LYS 21 3HZ LYS 21 -0.760 -4.235 0.888 164 HZ2 LYS 21 1HZ LYS 21 -1.553 -4.374 -0.600 165 HZ3 LYS 21 2HZ LYS 21 -1.500 -2.882 0.193 166 H ASP 22 HN ASP 22 4.625 -2.397 2.262 167 HA ASP 22 HA ASP 22 2.904 -3.956 3.917 168 HB2 ASP 22 2HB ASP 22 5.433 -3.808 4.203 169 HB3 ASP 22 1HB ASP 22 5.156 -2.195 4.830 170 H VAL 23 HN VAL 23 2.410 -1.148 2.636 171 HA VAL 23 HA VAL 23 1.680 0.335 4.986 172 HB VAL 23 HB VAL 23 2.650 1.338 2.887 173 HG11 VAL 23 1HG1 VAL 23 0.865 2.051 1.233 174 HG12 VAL 23 2HG1 VAL 23 -0.160 0.804 1.925 175 HG13 VAL 23 3HG1 VAL 23 1.364 0.363 1.154 176 HG21 VAL 23 3HG2 VAL 23 0.168 2.811 3.434 177 HG22 VAL 23 1HG2 VAL 23 1.850 3.329 3.555 178 HG23 VAL 23 2HG2 VAL 23 1.125 2.364 4.842 179 H GLU 24 HN GLU 24 -0.380 1.059 5.461 180 HA GLU 24 HA GLU 24 -2.498 -0.725 4.478 181 HB2 GLU 24 2HB GLU 24 -3.687 -0.009 6.621 182 HB3 GLU 24 1HB GLU 24 -2.308 -1.084 6.795 183 HG2 GLU 24 2HG GLU 24 -0.899 0.851 7.360 184 HG3 GLU 24 1HG GLU 24 -2.317 1.893 7.240 185 H TYR 25 HN TYR 25 -3.467 0.368 2.861 186 HA TYR 25 HA TYR 25 -4.118 3.196 3.219 187 HD1 TYR 25 HD1 TYR 25 -3.888 4.730 -0.197 188 HD2 TYR 25 HD2 TYR 25 -1.378 2.298 2.211 189 HE1 TYR 25 HE1 TYR 25 -2.042 6.304 -0.561 190 HE2 TYR 25 HE2 TYR 25 0.476 3.861 1.852 191 HH TYR 25 HH TYR 25 1.172 5.553 0.208 192 HB2 TYR 25 2HB TYR 25 -3.597 1.474 0.856 193 HB3 TYR 25 1HB TYR 25 -4.750 2.787 0.666 194 H LEU 26 HN LEU 26 -6.280 3.901 2.737 195 HA LEU 26 HA LEU 26 -8.285 1.878 3.332 196 HG LEU 26 HG LEU 26 -10.614 3.328 2.779 197 HB2 LEU 26 2HB LEU 26 -8.411 3.934 4.618 198 HB3 LEU 26 1HB LEU 26 -8.412 4.897 3.154 199 HD11 LEU 26 1HD1 LEU 26 -10.480 3.976 5.708 200 HD12 LEU 26 2HD1 LEU 26 -10.484 2.368 4.990 201 HD13 LEU 26 3HD1 LEU 26 -11.905 3.397 4.847 202 HD21 LEU 26 3HD2 LEU 26 -10.709 5.938 4.240 203 HD22 LEU 26 1HD2 LEU 26 -11.868 5.289 3.082 204 HD23 LEU 26 2HD2 LEU 26 -10.277 5.817 2.534 205 H VAL 27 HN VAL 27 -10.190 1.657 1.952 206 HA VAL 27 HA VAL 27 -9.780 2.774 -0.698 207 HB VAL 27 HB VAL 27 -9.296 0.974 -1.723 208 HG11 VAL 27 1HG1 VAL 27 -8.528 -1.007 -0.576 209 HG12 VAL 27 2HG1 VAL 27 -9.380 -0.501 0.882 210 HG13 VAL 27 3HG1 VAL 27 -8.025 0.454 0.277 211 HG21 VAL 27 3HG2 VAL 27 -11.619 -0.453 -0.450 212 HG22 VAL 27 1HG2 VAL 27 -10.631 -1.114 -1.752 213 HG23 VAL 27 2HG2 VAL 27 -11.597 0.336 -2.025 214 H ARG 28 HN ARG 28 -11.377 3.985 -1.093 215 HA ARG 28 HA ARG 28 -14.075 3.279 -0.318 216 HE ARG 28 HE ARG 28 -11.569 7.948 0.797 217 HB2 ARG 28 2HB ARG 28 -13.325 5.451 -2.246 218 HB3 ARG 28 1HB ARG 28 -14.708 5.396 -1.162 219 HG2 ARG 28 2HG ARG 28 -13.100 5.621 0.748 220 HG3 ARG 28 1HG ARG 28 -11.834 5.922 -0.443 221 HD2 ARG 28 2HD ARG 28 -13.213 7.813 -1.316 222 HD3 ARG 28 1HD ARG 28 -14.322 7.554 0.030 223 HH11 ARG 28 1HH1 ARG 28 -14.636 9.466 0.143 224 HH12 ARG 28 2HH1 ARG 28 -14.280 10.880 1.076 225 HH21 ARG 28 2HH2 ARG 28 -12.263 11.074 2.146 226 HH22 ARG 28 1HH2 ARG 28 -11.090 9.805 2.024 227 H TRP 29 HN TRP 29 -13.979 1.282 -1.349 228 HA TRP 29 HA TRP 29 -13.378 0.344 -3.705 229 HD1 TRP 29 HD1 TRP 29 -13.480 -1.131 -5.031 230 HE1 TRP 29 HE1 TRP 29 -13.595 -3.634 -5.622 231 HE3 TRP 29 HE3 TRP 29 -16.976 -2.613 -1.607 232 HZ2 TRP 29 HZ2 TRP 29 -14.987 -5.934 -4.752 233 HZ3 TRP 29 HZ3 TRP 29 -17.646 -4.980 -1.554 234 HH2 TRP 29 HH2 TRP 29 -16.672 -6.604 -3.094 235 HB2 TRP 29 2HB TRP 29 -15.086 -0.451 -1.817 236 HB3 TRP 29 1HB TRP 29 -16.249 -0.055 -3.076 237 H LYS 30 HN LYS 30 -13.123 1.886 -5.239 238 HA LYS 30 HA LYS 30 -14.513 3.758 -6.428 239 HB2 LYS 30 2HB LYS 30 -12.567 2.597 -7.470 240 HB3 LYS 30 1HB LYS 30 -13.664 1.373 -8.078 241 HG2 LYS 30 2HG LYS 30 -14.869 3.136 -9.329 242 HG3 LYS 30 1HG LYS 30 -13.653 4.297 -8.792 243 HD2 LYS 30 2HD LYS 30 -11.911 2.957 -9.892 244 HD3 LYS 30 1HD LYS 30 -13.145 1.827 -10.450 245 HE2 LYS 30 2HE LYS 30 -12.937 4.749 -11.169 246 HE3 LYS 30 1HE LYS 30 -12.544 3.387 -12.217 247 HZ1 LYS 30 3HZ LYS 30 -14.866 2.690 -12.096 248 HZ2 LYS 30 1HZ LYS 30 -14.730 4.257 -12.719 249 HZ3 LYS 30 2HZ LYS 30 -15.233 4.023 -11.120 250 H ASP 31 HN ASP 31 -15.594 0.400 -6.586 251 HA ASP 31 HA ASP 31 -18.186 1.341 -7.624 252 HB2 ASP 31 2HB ASP 31 -16.806 -1.309 -8.126 253 HB3 ASP 31 1HB ASP 31 -18.454 -0.934 -8.620 254 H GLY 32 HN GLY 32 -18.088 1.605 -5.075 255 HA2 GLY 32 2HA GLY 32 -19.650 -0.623 -4.009 256 HA3 GLY 32 1HA GLY 32 -18.181 -0.182 -3.143 257 H GLY 33 HN GLY 33 -19.629 0.191 -1.346 258 HA2 GLY 33 2HA GLY 33 -20.588 2.964 -1.373 259 HA3 GLY 33 1HA GLY 33 -21.694 1.701 -0.851 260 H ASP 34 HN ASP 34 -18.404 1.152 -0.094 261 HA ASP 34 HA ASP 34 -18.704 2.299 2.585 262 HB2 ASP 34 2HB ASP 34 -17.945 -0.567 1.981 263 HB3 ASP 34 1HB ASP 34 -17.786 0.191 3.564 264 H CYS 35 HN CYS 35 -16.495 1.825 3.813 265 HA CYS 35 HA CYS 35 -14.214 2.049 2.012 266 HG CYS 35 HG CYS 35 -15.177 6.123 2.185 267 HB2 CYS 35 2HB CYS 35 -14.828 4.161 4.090 268 HB3 CYS 35 1HB CYS 35 -13.405 4.105 3.055 269 H GLU 36 HN GLU 36 -12.962 0.454 2.749 270 HA GLU 36 HA GLU 36 -12.564 0.246 5.663 271 HB2 GLU 36 2HB GLU 36 -12.215 -2.016 3.706 272 HB3 GLU 36 1HB GLU 36 -12.269 -2.108 5.459 273 HG2 GLU 36 2HG GLU 36 -14.558 -1.421 3.633 274 HG3 GLU 36 1HG GLU 36 -14.332 -2.925 4.524 275 H TRP 37 HN TRP 37 -10.447 -0.777 6.247 276 HA TRP 37 HA TRP 37 -8.333 0.621 4.839 277 HD1 TRP 37 HD1 TRP 37 -8.788 2.490 5.863 278 HE1 TRP 37 HE1 TRP 37 -9.402 4.170 7.716 279 HE3 TRP 37 HE3 TRP 37 -8.025 -0.494 9.938 280 HZ2 TRP 37 HZ2 TRP 37 -9.539 4.219 10.539 281 HZ3 TRP 37 HZ3 TRP 37 -8.416 0.443 12.180 282 HH2 TRP 37 HH2 TRP 37 -9.156 2.752 12.472 283 HB2 TRP 37 2HB TRP 37 -8.333 -0.948 7.423 284 HB3 TRP 37 1HB TRP 37 -6.931 -0.110 6.769 285 H VAL 38 HN VAL 38 -6.543 -0.296 3.938 286 HA VAL 38 HA VAL 38 -6.804 -3.073 3.102 287 HB VAL 38 HB VAL 38 -4.738 -0.991 2.362 288 HG11 VAL 38 1HG1 VAL 38 -4.326 -2.606 0.443 289 HG12 VAL 38 2HG1 VAL 38 -5.193 -3.801 1.403 290 HG13 VAL 38 3HG1 VAL 38 -3.709 -3.079 2.023 291 HG21 VAL 38 3HG2 VAL 38 -6.864 -2.049 0.556 292 HG22 VAL 38 1HG2 VAL 38 -5.953 -0.546 0.443 293 HG23 VAL 38 2HG2 VAL 38 -7.213 -0.729 1.665 294 H LYS 39 HN LYS 39 -4.885 -4.509 3.202 295 HA LYS 39 HA LYS 39 -3.897 -4.541 5.862 296 HB2 LYS 39 2HB LYS 39 -4.518 -6.611 4.727 297 HB3 LYS 39 1HB LYS 39 -3.253 -6.345 3.536 298 HG2 LYS 39 2HG LYS 39 -1.558 -6.557 5.282 299 HG3 LYS 39 1HG LYS 39 -2.828 -6.823 6.478 300 HD2 LYS 39 2HD LYS 39 -3.551 -8.821 5.215 301 HD3 LYS 39 1HD LYS 39 -2.210 -8.570 4.097 302 HE2 LYS 39 2HE LYS 39 -0.621 -8.838 5.931 303 HE3 LYS 39 1HE LYS 39 -1.954 -9.065 7.061 304 HZ1 LYS 39 3HZ LYS 39 -1.009 -11.178 6.399 305 HZ2 LYS 39 1HZ LYS 39 -1.304 -10.838 4.768 306 HZ3 LYS 39 2HZ LYS 39 -2.598 -11.052 5.836 307 H GLY 40 HN GLY 40 -2.460 -3.119 6.439 308 HA2 GLY 40 2HA GLY 40 -0.170 -2.594 4.719 309 HA3 GLY 40 1HA GLY 40 -0.603 -1.684 6.158 310 H VAL 41 HN VAL 41 -0.130 -5.136 5.608 311 HA VAL 41 HA VAL 41 2.069 -5.088 7.570 312 HB VAL 41 HB VAL 41 0.525 -7.587 7.044 313 HG11 VAL 41 1HG1 VAL 41 2.538 -7.769 8.340 314 HG12 VAL 41 2HG1 VAL 41 1.151 -8.032 9.398 315 HG13 VAL 41 3HG1 VAL 41 2.003 -6.488 9.427 316 HG21 VAL 41 3HG2 VAL 41 -0.996 -7.047 8.923 317 HG22 VAL 41 1HG2 VAL 41 -1.236 -5.999 7.526 318 HG23 VAL 41 2HG2 VAL 41 -0.356 -5.404 8.933 319 H HIS 42 HN HIS 42 1.426 -5.320 4.370 320 HA HIS 42 HA HIS 42 2.952 -7.608 3.673 321 HD1 HIS 42 HD1 HIS 42 -0.184 -7.252 0.983 322 HD2 HIS 42 HD2 HIS 42 3.657 -8.796 1.350 323 HE1 HIS 42 HE1 HIS 42 -0.247 -9.488 -0.163 324 HE2 HIS 42 HE2 HIS 42 2.062 -10.446 0.155 325 HB2 HIS 42 2HB HIS 42 1.260 -5.786 2.329 326 HB3 HIS 42 1HB HIS 42 2.827 -5.728 1.525 327 H VAL 43 HN VAL 43 4.641 -7.289 5.006 328 HA VAL 43 HA VAL 43 6.458 -5.205 5.000 329 HB VAL 43 HB VAL 43 6.937 -8.126 5.560 330 HG11 VAL 43 1HG1 VAL 43 8.741 -6.824 7.100 331 HG12 VAL 43 2HG1 VAL 43 8.745 -5.812 5.654 332 HG13 VAL 43 3HG1 VAL 43 9.106 -7.532 5.526 333 HG21 VAL 43 3HG2 VAL 43 5.228 -7.148 6.975 334 HG22 VAL 43 1HG2 VAL 43 6.308 -5.818 7.395 335 HG23 VAL 43 2HG2 VAL 43 6.689 -7.461 7.909 336 H ALA 44 HN ALA 44 6.369 -4.831 2.597 337 HA ALA 44 HA ALA 44 8.286 -6.441 1.125 338 HB1 ALA 44 3HB ALA 44 6.710 -4.023 0.242 339 HB2 ALA 44 1HB ALA 44 6.242 -5.704 -0.021 340 HB3 ALA 44 2HB ALA 44 7.689 -5.058 -0.796 341 H GLU 45 HN GLU 45 9.562 -5.478 3.179 342 HA GLU 45 HA GLU 45 10.612 -2.945 3.258 343 HB2 GLU 45 2HB GLU 45 11.127 -4.579 4.970 344 HB3 GLU 45 1HB GLU 45 12.007 -5.568 3.814 345 HG2 GLU 45 2HG GLU 45 13.682 -3.822 3.572 346 HG3 GLU 45 1HG GLU 45 12.791 -2.800 4.699 347 H ASP 46 HN ASP 46 11.230 -5.478 0.997 348 HA ASP 46 HA ASP 46 13.635 -4.398 -0.117 349 HB2 ASP 46 2HB ASP 46 11.601 -6.279 -1.330 350 HB3 ASP 46 1HB ASP 46 13.198 -5.944 -1.990 351 H VAL 47 HN VAL 47 10.197 -4.163 -0.952 352 HA VAL 47 HA VAL 47 10.592 -2.638 -3.309 353 HB VAL 47 HB VAL 47 8.201 -2.759 -1.467 354 HG11 VAL 47 1HG1 VAL 47 8.196 -0.740 -2.877 355 HG12 VAL 47 2HG1 VAL 47 6.911 -1.862 -3.325 356 HG13 VAL 47 3HG1 VAL 47 8.371 -1.754 -4.310 357 HG21 VAL 47 3HG2 VAL 47 9.007 -4.890 -2.568 358 HG22 VAL 47 1HG2 VAL 47 8.565 -4.151 -4.105 359 HG23 VAL 47 2HG2 VAL 47 7.331 -4.437 -2.877 360 H ALA 48 HN ALA 48 10.103 -1.841 0.014 361 HA ALA 48 HA ALA 48 9.943 0.968 -0.145 362 HB1 ALA 48 3HB ALA 48 10.572 -0.815 2.194 363 HB2 ALA 48 1HB ALA 48 8.970 -0.259 1.709 364 HB3 ALA 48 2HB ALA 48 10.170 0.900 2.281 365 H LYS 49 HN LYS 49 12.464 -1.206 1.137 366 HA LYS 49 HA LYS 49 14.430 0.748 1.506 367 HB2 LYS 49 2HB LYS 49 14.578 -1.535 2.437 368 HB3 LYS 49 1HB LYS 49 14.799 -2.179 0.815 369 HG2 LYS 49 2HG LYS 49 16.937 -2.084 1.829 370 HG3 LYS 49 1HG LYS 49 16.871 -0.781 0.639 371 HD2 LYS 49 2HD LYS 49 17.888 0.055 2.653 372 HD3 LYS 49 1HD LYS 49 16.295 0.792 2.472 373 HE2 LYS 49 2HE LYS 49 15.367 -0.808 4.065 374 HE3 LYS 49 1HE LYS 49 16.947 -1.574 4.229 375 HZ1 LYS 49 3HZ LYS 49 16.546 -0.067 6.052 376 HZ2 LYS 49 1HZ LYS 49 16.272 1.218 4.986 377 HZ3 LYS 49 2HZ LYS 49 17.811 0.524 5.100 378 H ASP 50 HN ASP 50 13.352 -0.986 -1.295 379 HA ASP 50 HA ASP 50 15.524 0.035 -2.933 380 HB2 ASP 50 2HB ASP 50 14.554 -2.340 -3.102 381 HB3 ASP 50 1HB ASP 50 13.178 -1.583 -3.902 382 H TYR 51 HN TYR 51 12.280 0.797 -2.064 383 HA TYR 51 HA TYR 51 11.615 2.230 -4.391 384 HD1 TYR 51 HD1 TYR 51 10.625 0.714 -4.939 385 HD2 TYR 51 HD2 TYR 51 7.592 2.508 -2.548 386 HE1 TYR 51 HE1 TYR 51 8.903 -0.274 -6.383 387 HE2 TYR 51 HE2 TYR 51 5.868 1.519 -3.987 388 HH TYR 51 HH TYR 51 6.573 -0.874 -6.329 389 HB2 TYR 51 2HB TYR 51 10.340 1.762 -1.841 390 HB3 TYR 51 1HB TYR 51 9.980 3.328 -2.519 391 H GLU 52 HN GLU 52 12.039 3.345 -1.075 392 HA GLU 52 HA GLU 52 12.675 6.013 -1.979 393 HB2 GLU 52 2HB GLU 52 12.460 6.695 0.288 394 HB3 GLU 52 1HB GLU 52 11.167 5.547 -0.021 395 HG2 GLU 52 2HG GLU 52 12.498 3.786 1.060 396 HG3 GLU 52 1HG GLU 52 13.751 4.975 1.412 397 H ASP 53 HN ASP 53 14.220 3.474 -0.058 398 HA ASP 53 HA ASP 53 16.707 4.892 0.132 399 HB2 ASP 53 2HB ASP 53 15.688 2.222 1.002 400 HB3 ASP 53 1HB ASP 53 17.430 2.492 0.958 401 H GLY 54 HN GLY 54 15.270 2.746 -2.142 402 HA2 GLY 54 2HA GLY 54 17.776 1.862 -3.284 403 HA3 GLY 54 1HA GLY 54 16.168 1.548 -3.919 404 H LEU 55 HN LEU 55 15.400 4.361 -3.901 405 HA LEU 55 HA LEU 55 16.463 5.059 -6.475 406 HG LEU 55 HG LEU 55 13.688 7.512 -6.825 407 HB2 LEU 55 2HB LEU 55 14.074 5.429 -5.562 408 HB3 LEU 55 1HB LEU 55 14.745 6.840 -4.769 409 HD11 LEU 55 1HD1 LEU 55 16.681 7.556 -7.178 410 HD12 LEU 55 2HD1 LEU 55 15.760 8.666 -6.163 411 HD13 LEU 55 3HD1 LEU 55 15.517 8.660 -7.909 412 HD21 LEU 55 3HD2 LEU 55 14.402 6.675 -8.994 413 HD22 LEU 55 1HD2 LEU 55 13.806 5.358 -7.984 414 HD23 LEU 55 2HD2 LEU 55 15.540 5.577 -8.211 415 H GLU 56 HN GLU 56 16.206 7.038 -3.512 416 HA GLU 56 HA GLU 56 18.572 8.514 -4.326 417 HB2 GLU 56 2HB GLU 56 16.661 8.934 -2.041 418 HB3 GLU 56 1HB GLU 56 18.018 9.986 -2.404 419 HG2 GLU 56 2HG GLU 56 15.708 9.440 -4.252 420 HG3 GLU 56 1HG GLU 56 15.877 10.865 -3.226 421 H TYR 57 HN TYR 57 19.475 6.150 -3.879 422 HA TYR 57 HA TYR 57 20.148 5.598 -1.150 423 HD1 TYR 57 HD1 TYR 57 20.185 2.800 -0.588 424 HD2 TYR 57 HD2 TYR 57 23.531 3.941 -2.956 425 HE1 TYR 57 HE1 TYR 57 21.643 1.394 0.806 426 HE2 TYR 57 HE2 TYR 57 24.997 2.537 -1.569 427 HH TYR 57 HH TYR 57 23.804 0.249 0.640 428 HB2 TYR 57 2HB TYR 57 19.918 3.815 -2.852 429 HB3 TYR 57 1HB TYR 57 21.329 4.453 -3.690 430 HA ALA 1 HA ALA 1 -11.665 -9.949 0.054 431 H1 ALA 1 1H ALA 1 -12.482 -12.200 -0.040 432 H2 ALA 1 2H ALA 1 -14.064 -11.676 0.246 433 H3 ALA 1 3H ALA 1 -12.884 -11.492 1.445 434 HB1 ALA 1 3HB ALA 1 -14.003 -10.226 -1.831 435 HB2 ALA 1 1HB ALA 1 -12.391 -10.891 -2.098 436 HB3 ALA 1 2HB ALA 1 -12.623 -9.145 -2.023 437 HA PRO 2 HA PRO 2 -14.490 -7.753 2.940 438 HB2 PRO 2 1HB PRO 2 -13.028 -6.575 4.272 439 HB3 PRO 2 2HB PRO 2 -12.068 -6.015 2.897 440 HG2 PRO 2 2HG PRO 2 -10.660 -7.665 3.746 441 HG3 PRO 2 1HG PRO 2 -12.016 -8.664 4.296 442 HD2 PRO 2 2HD PRO 2 -10.860 -8.372 1.559 443 HD3 PRO 2 1HD PRO 2 -11.538 -9.810 2.353 444 HA PRO 3 HA PRO 3 -15.767 -4.660 0.022 445 HB2 PRO 3 1HB PRO 3 -17.830 -5.043 1.007 446 HB3 PRO 3 2HB PRO 3 -17.578 -3.362 1.495 447 HG2 PRO 3 2HG PRO 3 -16.927 -3.948 3.638 448 HG3 PRO 3 1HG PRO 3 -18.049 -5.278 3.304 449 HD2 PRO 3 2HD PRO 3 -15.380 -5.588 3.969 450 HD3 PRO 3 1HD PRO 3 -16.361 -6.800 3.121 451 H GLY 4 HN GLY 4 -13.330 -3.902 0.673 452 HA2 GLY 4 2HA GLY 4 -13.185 -1.198 0.439 453 HA3 GLY 4 1HA GLY 4 -13.254 -1.443 2.177 454 H THR 5 HN THR 5 -11.652 -3.311 -0.371 455 HA THR 5 HA THR 5 -9.040 -2.492 0.573 456 HB THR 5 HB THR 5 -8.229 -4.753 0.991 457 HG1 THR 5 HG1 THR 5 -10.168 -5.697 1.726 458 1HG2 THR 5 1HG2 THR 5 -8.784 -5.733 -0.695 459 2HG2 THR 5 2HG2 THR 5 -7.968 -7.218 -0.204 460 3HG2 THR 5 3HG2 THR 5 -7.044 -5.729 -0.409 461 H ALA 6 HN ALA 6 -7.282 -3.347 -0.763 462 HA ALA 6 HA ALA 6 -7.757 -4.695 -3.199 463 HB1 ALA 6 3HB ALA 6 -8.864 -2.610 -3.814 464 HB2 ALA 6 1HB ALA 6 -7.395 -2.844 -4.761 465 HB3 ALA 6 2HB ALA 6 -7.404 -1.706 -3.415 466 H ARG 7 HN ARG 7 -5.931 -5.031 -1.161 467 HA ARG 7 HA ARG 7 -3.480 -3.930 -1.105 468 HE ARG 7 HE ARG 7 -4.647 -7.360 1.265 469 HB2 ARG 7 2HB ARG 7 -2.555 -6.223 -0.735 470 HB3 ARG 7 1HB ARG 7 -3.965 -5.838 0.242 471 HG2 ARG 7 2HG ARG 7 -5.382 -7.096 -1.299 472 HG3 ARG 7 1HG ARG 7 -3.968 -7.479 -2.283 473 HD2 ARG 7 2HD ARG 7 -4.542 -9.340 -0.821 474 HD3 ARG 7 1HD ARG 7 -2.972 -8.664 -0.394 475 HH11 ARG 7 1HH1 ARG 7 -4.214 -10.734 0.517 476 HH12 ARG 7 2HH1 ARG 7 -4.697 -11.278 2.090 477 HH21 ARG 7 2HH2 ARG 7 -5.304 -9.761 3.694 478 HH22 ARG 7 1HH2 ARG 7 -5.282 -8.066 3.341 479 H ARG 8 HN ARG 8 -1.685 -3.668 -2.411 480 HA ARG 8 HA ARG 8 -1.802 -3.770 -5.137 481 HE ARG 8 HE ARG 8 1.714 -3.547 -7.945 482 HB2 ARG 8 2HB ARG 8 0.050 -2.747 -3.851 483 HB3 ARG 8 1HB ARG 8 0.675 -4.352 -3.509 484 HG2 ARG 8 2HG ARG 8 1.885 -3.243 -5.327 485 HG3 ARG 8 1HG ARG 8 1.101 -4.734 -5.854 486 HD2 ARG 8 2HD ARG 8 -0.752 -3.418 -6.779 487 HD3 ARG 8 1HD ARG 8 0.056 -1.935 -6.271 488 HH11 ARG 8 1HH1 ARG 8 -0.903 -1.252 -7.957 489 HH12 ARG 8 2HH1 ARG 8 -0.572 -0.684 -9.559 490 HH21 ARG 8 2HH2 ARG 8 1.173 -1.570 -10.753 491 HH22 ARG 8 1HH2 ARG 8 2.164 -2.808 -10.055 492 H LYS 9 HN LYS 9 -0.699 -6.342 -2.995 493 HA LYS 9 HA LYS 9 -0.966 -8.687 -3.250 494 HB2 LYS 9 2HB LYS 9 -2.795 -8.121 -4.911 495 HB3 LYS 9 1HB LYS 9 -1.569 -8.239 -6.166 496 HG2 LYS 9 2HG LYS 9 -1.115 -10.552 -5.489 497 HG3 LYS 9 1HG LYS 9 -2.388 -10.431 -4.274 498 HD2 LYS 9 2HD LYS 9 -4.019 -9.972 -6.062 499 HD3 LYS 9 1HD LYS 9 -2.736 -10.164 -7.259 500 HE2 LYS 9 2HE LYS 9 -2.398 -12.472 -6.535 501 HE3 LYS 9 1HE LYS 9 -3.662 -12.282 -5.320 502 HZ1 LYS 9 3HZ LYS 9 -4.534 -13.389 -7.253 503 HZ2 LYS 9 1HZ LYS 9 -4.023 -12.132 -8.265 504 HZ3 LYS 9 2HZ LYS 9 -5.243 -11.858 -7.125 505 H ARG 10 HN ARG 10 1.040 -6.675 -5.240 506 HA ARG 10 HA ARG 10 2.570 -8.518 -6.605 507 HE ARG 10 HE ARG 10 6.289 -6.176 -5.760 508 HB2 ARG 10 2HB ARG 10 4.317 -6.905 -6.680 509 HB3 ARG 10 1HB ARG 10 2.807 -6.005 -6.679 510 HG2 ARG 10 2HG ARG 10 3.072 -5.428 -4.380 511 HG3 ARG 10 1HG ARG 10 4.462 -6.505 -4.220 512 HD2 ARG 10 2HD ARG 10 4.370 -4.124 -6.065 513 HD3 ARG 10 1HD ARG 10 5.049 -4.088 -4.438 514 HH11 ARG 10 1HH1 ARG 10 6.015 -2.727 -6.127 515 HH12 ARG 10 2HH1 ARG 10 7.573 -2.550 -6.863 516 HH21 ARG 10 2HH2 ARG 10 8.896 -4.389 -7.205 517 HH22 ARG 10 1HH2 ARG 10 8.341 -5.958 -6.725 518 H LYS 11 HN LYS 11 2.537 -7.747 -3.209 519 HA LYS 11 HA LYS 11 3.767 -8.507 -1.422 520 HB2 LYS 11 2HB LYS 11 3.620 -10.932 -1.174 521 HB3 LYS 11 1HB LYS 11 2.115 -10.264 -1.794 522 HG2 LYS 11 2HG LYS 11 2.460 -11.135 -3.923 523 HG3 LYS 11 1HG LYS 11 4.187 -11.366 -3.654 524 HD2 LYS 11 2HD LYS 11 3.214 -13.515 -3.567 525 HD3 LYS 11 1HD LYS 11 3.556 -13.061 -1.897 526 HE2 LYS 11 2HE LYS 11 1.225 -12.408 -1.590 527 HE3 LYS 11 1HE LYS 11 0.878 -12.835 -3.265 528 HZ1 LYS 11 3HZ LYS 11 0.210 -14.606 -1.795 529 HZ2 LYS 11 1HZ LYS 11 1.765 -14.699 -1.131 530 HZ3 LYS 11 2HZ LYS 11 1.508 -15.127 -2.747 531 H ALA 12 HN ALA 12 5.618 -7.455 -2.960 532 HA ALA 12 HA ALA 12 7.588 -8.940 -4.147 533 HB1 ALA 12 3HB ALA 12 7.547 -6.481 -4.073 534 HB2 ALA 12 1HB ALA 12 9.124 -7.139 -3.632 535 HB3 ALA 12 2HB ALA 12 8.035 -6.543 -2.378 536 H ASP 13 HN ASP 13 6.837 -8.627 -0.778 537 HA ASP 13 HA ASP 13 9.165 -10.284 -0.082 538 HB2 ASP 13 2HB ASP 13 9.169 -8.148 1.081 539 HB3 ASP 13 1HB ASP 13 7.521 -8.413 1.651 540 H SER 14 HN SER 14 7.274 -11.732 -1.191 541 HA SER 14 HA SER 14 5.110 -12.596 0.314 542 HG SER 14 HG SER 14 4.137 -14.539 -0.673 543 HB2 SER 14 2HB SER 14 5.487 -13.212 -2.047 544 HB3 SER 14 1HB SER 14 6.820 -14.255 -1.553 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 8.872 1.898 -7.308 2 H2 GLY 1 2H GLY 1 8.864 3.589 -7.350 3 H3 GLY 1 3H GLY 1 8.892 2.780 -5.865 4 HA2 GLY 1 1HA GLY 1 11.086 1.897 -6.337 5 HA3 GLY 1 2HA GLY 1 11.052 2.697 -7.901 6 H SER 2 HN SER 2 9.948 3.994 -4.789 7 HA SER 2 HA SER 2 12.180 5.466 -4.071 8 HG SER 2 HG SER 2 9.838 8.095 -5.863 9 HB2 SER 2 2HB SER 2 11.651 7.726 -4.894 10 HB3 SER 2 1HB SER 2 11.980 6.617 -6.223 11 H GLN 3 HN GLN 3 8.696 5.260 -4.193 12 HA GLN 3 HA GLN 3 8.400 6.912 -1.846 13 HB2 GLN 3 2HB GLN 3 6.402 5.348 -3.439 14 HB3 GLN 3 1HB GLN 3 5.992 6.403 -2.099 15 HG2 GLN 3 2HG GLN 3 6.779 8.322 -3.313 16 HG3 GLN 3 1HG GLN 3 7.369 7.298 -4.621 17 HE21 GLN 3 2HE2 GLN 3 3.455 8.332 -4.363 18 HE22 GLN 3 1HE2 GLN 3 4.577 8.686 -3.097 19 H VAL 4 HN VAL 4 7.803 6.209 0.162 20 HA VAL 4 HA VAL 4 8.409 3.422 0.731 21 HB VAL 4 HB VAL 4 9.514 5.214 2.044 22 HG11 VAL 4 1HG1 VAL 4 6.744 5.742 3.115 23 HG12 VAL 4 2HG1 VAL 4 7.667 6.815 2.063 24 HG13 VAL 4 3HG1 VAL 4 8.240 6.473 3.695 25 HG21 VAL 4 3HG2 VAL 4 9.707 3.637 3.592 26 HG22 VAL 4 1HG2 VAL 4 8.224 2.878 3.016 27 HG23 VAL 4 2HG2 VAL 4 8.151 4.114 4.270 28 H PHE 5 HN PHE 5 5.984 3.841 -0.605 29 HA PHE 5 HA PHE 5 4.200 2.383 0.972 30 HD1 PHE 5 HD1 PHE 5 2.934 5.596 -1.027 31 HD2 PHE 5 HD2 PHE 5 4.785 6.315 2.736 32 HE1 PHE 5 HE1 PHE 5 3.439 7.902 -1.721 33 HE2 PHE 5 HE2 PHE 5 5.293 8.622 2.050 34 HZ PHE 5 HZ PHE 5 4.619 9.418 -0.181 35 HB2 PHE 5 2HB PHE 5 2.459 4.245 1.248 36 HB3 PHE 5 1HB PHE 5 3.830 4.272 2.345 37 H GLU 6 HN GLU 6 2.088 2.115 -0.073 38 HA GLU 6 HA GLU 6 1.811 3.098 -2.805 39 HB2 GLU 6 2HB GLU 6 2.414 0.318 -2.024 40 HB3 GLU 6 1HB GLU 6 1.049 0.492 -3.115 41 HG2 GLU 6 2HG GLU 6 3.113 0.102 -4.333 42 HG3 GLU 6 1HG GLU 6 2.427 1.679 -4.709 43 H TYR 7 HN TYR 7 -0.349 3.270 -3.457 44 HA TYR 7 HA TYR 7 -2.271 2.947 -1.333 45 HD1 TYR 7 HD1 TYR 7 -4.360 3.282 -4.953 46 HD2 TYR 7 HD2 TYR 7 -0.688 5.351 -4.382 47 HE1 TYR 7 HE1 TYR 7 -4.089 3.461 -7.391 48 HE2 TYR 7 HE2 TYR 7 -0.407 5.536 -6.817 49 HH TYR 7 HH TYR 7 -2.890 4.938 -9.006 50 HB2 TYR 7 2HB TYR 7 -3.766 4.226 -2.777 51 HB3 TYR 7 1HB TYR 7 -2.235 5.051 -2.544 52 H ALA 8 HN ALA 8 -3.216 1.132 -1.047 53 HA ALA 8 HA ALA 8 -3.750 -0.647 -3.309 54 HB1 ALA 8 3HB ALA 8 -3.983 -1.067 -0.323 55 HB2 ALA 8 1HB ALA 8 -2.665 -1.616 -1.357 56 HB3 ALA 8 2HB ALA 8 -4.276 -2.301 -1.544 57 H GLU 9 HN GLU 9 -5.284 1.632 -3.421 58 HA GLU 9 HA GLU 9 -7.902 0.742 -2.478 59 HB2 GLU 9 2HB GLU 9 -8.331 2.789 -1.694 60 HB3 GLU 9 1HB GLU 9 -6.603 2.989 -1.773 61 HG2 GLU 9 2HG GLU 9 -8.533 3.840 -3.907 62 HG3 GLU 9 1HG GLU 9 -7.847 4.898 -2.688 63 H VAL 10 HN VAL 10 -9.751 1.519 -3.691 64 HA VAL 10 HA VAL 10 -9.184 1.179 -6.486 65 HB VAL 10 HB VAL 10 -11.832 0.881 -5.199 66 HG11 VAL 10 1HG1 VAL 10 -10.746 -0.230 -7.775 67 HG12 VAL 10 2HG1 VAL 10 -11.801 1.175 -7.643 68 HG13 VAL 10 3HG1 VAL 10 -12.392 -0.417 -7.174 69 HG21 VAL 10 3HG2 VAL 10 -10.256 -0.623 -4.106 70 HG22 VAL 10 1HG2 VAL 10 -9.781 -1.261 -5.681 71 HG23 VAL 10 2HG2 VAL 10 -11.417 -1.520 -5.084 72 H ASP 11 HN ASP 11 -10.365 3.483 -4.276 73 HA ASP 11 HA ASP 11 -10.797 5.324 -6.503 74 HB2 ASP 11 2HB ASP 11 -13.004 4.308 -5.770 75 HB3 ASP 11 1HB ASP 11 -12.778 5.138 -4.238 76 H GLU 12 HN GLU 12 -10.527 4.911 -2.993 77 HA GLU 12 HA GLU 12 -8.926 7.307 -2.802 78 HB2 GLU 12 2HB GLU 12 -11.665 7.218 -1.544 79 HB3 GLU 12 1HB GLU 12 -10.422 8.373 -1.089 80 HG2 GLU 12 2HG GLU 12 -10.406 9.270 -3.350 81 HG3 GLU 12 1HG GLU 12 -11.623 8.089 -3.834 82 H ILE 13 HN ILE 13 -8.114 7.688 -0.570 83 HA ILE 13 HA ILE 13 -8.329 5.295 1.133 84 HB ILE 13 HB ILE 13 -5.949 5.170 1.506 85 HG12 ILE 13 2HG1 ILE 13 -5.517 7.640 1.432 86 HG13 ILE 13 1HG1 ILE 13 -4.351 6.706 0.497 87 HG21 ILE 13 1HG2 ILE 13 -5.630 5.516 -1.339 88 HG22 ILE 13 2HG2 ILE 13 -7.157 4.737 -0.945 89 HG23 ILE 13 3HG2 ILE 13 -5.651 4.041 -0.372 90 HD11 ILE 13 3HD1 ILE 13 -4.784 8.344 -1.003 91 HD12 ILE 13 1HD1 ILE 13 -6.421 8.612 -0.406 92 HD13 ILE 13 2HD1 ILE 13 -6.080 7.228 -1.446 93 H VAL 14 HN VAL 14 -6.617 6.072 3.156 94 HA VAL 14 HA VAL 14 -7.236 8.792 3.954 95 HB VAL 14 HB VAL 14 -8.203 6.428 5.572 96 HG11 VAL 14 1HG1 VAL 14 -7.240 8.114 7.037 97 HG12 VAL 14 2HG1 VAL 14 -8.997 8.099 7.192 98 HG13 VAL 14 3HG1 VAL 14 -8.205 9.368 6.258 99 HG21 VAL 14 3HG2 VAL 14 -10.412 7.498 5.299 100 HG22 VAL 14 1HG2 VAL 14 -9.707 6.994 3.764 101 HG23 VAL 14 2HG2 VAL 14 -9.676 8.694 4.231 102 H GLU 15 HN GLU 15 -6.026 5.677 5.151 103 HA GLU 15 HA GLU 15 -3.810 7.069 6.482 104 HB2 GLU 15 2HB GLU 15 -4.646 4.158 6.571 105 HB3 GLU 15 1HB GLU 15 -3.330 4.863 7.500 106 HG2 GLU 15 2HG GLU 15 -6.232 5.625 7.735 107 HG3 GLU 15 1HG GLU 15 -5.357 4.559 8.834 108 H LYS 16 HN LYS 16 -1.704 6.912 5.729 109 HA LYS 16 HA LYS 16 -1.075 4.896 3.722 110 HB2 LYS 16 2HB LYS 16 -0.188 6.716 2.170 111 HB3 LYS 16 1HB LYS 16 -1.935 6.536 2.256 112 HG2 LYS 16 2HG LYS 16 -2.065 8.449 3.756 113 HG3 LYS 16 1HG LYS 16 -0.309 8.614 3.706 114 HD2 LYS 16 2HD LYS 16 -0.425 9.014 1.287 115 HD3 LYS 16 1HD LYS 16 -2.183 8.870 1.353 116 HE2 LYS 16 2HE LYS 16 -2.277 10.793 2.869 117 HE3 LYS 16 1HE LYS 16 -0.521 10.937 2.791 118 HZ1 LYS 16 3HZ LYS 16 -0.700 11.367 0.420 119 HZ2 LYS 16 1HZ LYS 16 -1.605 12.494 1.299 120 HZ3 LYS 16 2HZ LYS 16 -2.383 11.227 0.494 121 H ARG 17 HN ARG 17 0.527 4.218 5.348 122 HA ARG 17 HA ARG 17 3.008 5.693 5.114 123 HE ARG 17 HE ARG 17 5.203 6.309 10.491 124 HB2 ARG 17 2HB ARG 17 2.019 6.845 7.006 125 HB3 ARG 17 1HB ARG 17 1.708 5.316 7.814 126 HG2 ARG 17 2HG ARG 17 4.076 4.920 8.063 127 HG3 ARG 17 1HG ARG 17 4.443 6.384 7.147 128 HD2 ARG 17 2HD ARG 17 3.288 7.714 8.875 129 HD3 ARG 17 1HD ARG 17 3.018 6.239 9.802 130 HH11 ARG 17 1HH1 ARG 17 4.771 8.477 7.800 131 HH12 ARG 17 2HH1 ARG 17 6.332 9.208 7.971 132 HH21 ARG 17 2HH2 ARG 17 7.747 8.522 9.637 133 HH22 ARG 17 1HH2 ARG 17 7.259 7.270 10.730 134 H GLY 18 HN GLY 18 4.010 3.844 4.201 135 HA2 GLY 18 2HA GLY 18 4.571 1.763 6.155 136 HA3 GLY 18 1HA GLY 18 3.689 1.248 4.745 137 H LYS 19 HN LYS 19 4.932 0.120 3.531 138 HA LYS 19 HA LYS 19 7.667 1.013 2.972 139 HB2 LYS 19 2HB LYS 19 6.414 -1.692 3.245 140 HB3 LYS 19 1HB LYS 19 8.044 -1.463 2.611 141 HG2 LYS 19 2HG LYS 19 8.775 -0.528 4.699 142 HG3 LYS 19 1HG LYS 19 7.129 -0.594 5.339 143 HD2 LYS 19 2HD LYS 19 7.123 -2.990 5.183 144 HD3 LYS 19 1HD LYS 19 8.715 -2.977 4.423 145 HE2 LYS 19 2HE LYS 19 9.700 -2.059 6.447 146 HE3 LYS 19 1HE LYS 19 8.110 -1.971 7.206 147 HZ1 LYS 19 3HZ LYS 19 9.364 -3.909 7.939 148 HZ2 LYS 19 1HZ LYS 19 9.467 -4.468 6.346 149 HZ3 LYS 19 2HZ LYS 19 7.962 -4.370 7.113 150 H GLY 20 HN GLY 20 7.023 -1.610 1.057 151 HA2 GLY 20 2HA GLY 20 6.483 0.055 -1.249 152 HA3 GLY 20 1HA GLY 20 6.966 -1.638 -1.250 153 H LYS 21 HN LYS 21 5.285 -2.655 0.528 154 HA LYS 21 HA LYS 21 2.567 -2.025 -0.316 155 HB2 LYS 21 2HB LYS 21 4.069 -4.436 -1.025 156 HB3 LYS 21 1HB LYS 21 2.505 -4.774 -0.292 157 HG2 LYS 21 2HG LYS 21 2.951 -2.971 -2.663 158 HG3 LYS 21 1HG LYS 21 2.405 -4.644 -2.747 159 HD2 LYS 21 2HD LYS 21 0.973 -2.349 -1.417 160 HD3 LYS 21 1HD LYS 21 0.507 -3.154 -2.917 161 HE2 LYS 21 2HE LYS 21 0.208 -5.256 -1.660 162 HE3 LYS 21 1HE LYS 21 0.603 -4.399 -0.171 163 HZ1 LYS 21 3HZ LYS 21 -1.787 -4.615 -0.480 164 HZ2 LYS 21 1HZ LYS 21 -1.693 -3.781 -1.950 165 HZ3 LYS 21 2HZ LYS 21 -1.322 -2.989 -0.502 166 H ASP 22 HN ASP 22 4.579 -2.388 2.235 167 HA ASP 22 HA ASP 22 2.868 -3.904 3.951 168 HB2 ASP 22 2HB ASP 22 5.371 -4.014 4.113 169 HB3 ASP 22 1HB ASP 22 5.317 -2.361 4.667 170 H VAL 23 HN VAL 23 2.468 -1.087 2.737 171 HA VAL 23 HA VAL 23 2.003 0.528 5.060 172 HB VAL 23 HB VAL 23 2.921 1.475 2.999 173 HG11 VAL 23 1HG1 VAL 23 0.669 0.023 1.868 174 HG12 VAL 23 2HG1 VAL 23 2.153 0.585 1.103 175 HG13 VAL 23 3HG1 VAL 23 0.780 1.675 1.275 176 HG21 VAL 23 3HG2 VAL 23 1.694 3.448 3.062 177 HG22 VAL 23 1HG2 VAL 23 1.307 2.697 4.607 178 HG23 VAL 23 2HG2 VAL 23 0.159 2.600 3.274 179 H GLU 24 HN GLU 24 0.015 1.461 5.556 180 HA GLU 24 HA GLU 24 -2.256 -0.278 4.951 181 HB2 GLU 24 2HB GLU 24 -1.951 1.930 7.007 182 HB3 GLU 24 1HB GLU 24 -3.399 0.965 6.780 183 HG2 GLU 24 2HG GLU 24 -2.196 -1.037 7.437 184 HG3 GLU 24 1HG GLU 24 -0.712 -0.101 7.617 185 H TYR 25 HN TYR 25 -3.818 0.425 3.589 186 HA TYR 25 HA TYR 25 -4.153 3.269 3.127 187 HD1 TYR 25 HD1 TYR 25 -3.922 4.673 0.157 188 HD2 TYR 25 HD2 TYR 25 -1.110 1.993 1.867 189 HE1 TYR 25 HE1 TYR 25 -2.133 6.274 -0.324 190 HE2 TYR 25 HE2 TYR 25 0.691 3.594 1.392 191 HH TYR 25 HH TYR 25 1.141 5.456 -0.162 192 HB2 TYR 25 2HB TYR 25 -3.367 1.234 1.121 193 HB3 TYR 25 1HB TYR 25 -4.562 2.427 0.624 194 H LEU 26 HN LEU 26 -6.234 3.868 2.747 195 HA LEU 26 HA LEU 26 -8.271 1.878 3.291 196 HG LEU 26 HG LEU 26 -10.594 3.116 3.165 197 HB2 LEU 26 2HB LEU 26 -8.488 3.842 4.617 198 HB3 LEU 26 1HB LEU 26 -8.230 4.891 3.238 199 HD11 LEU 26 1HD1 LEU 26 -10.274 5.401 5.051 200 HD12 LEU 26 2HD1 LEU 26 -10.997 3.818 5.328 201 HD13 LEU 26 3HD1 LEU 26 -11.849 5.018 4.358 202 HD21 LEU 26 3HD2 LEU 26 -11.550 5.266 2.196 203 HD22 LEU 26 1HD2 LEU 26 -10.333 4.404 1.254 204 HD23 LEU 26 2HD2 LEU 26 -9.883 5.840 2.176 205 H VAL 27 HN VAL 27 -10.201 1.771 1.943 206 HA VAL 27 HA VAL 27 -9.843 2.947 -0.668 207 HB VAL 27 HB VAL 27 -9.427 1.221 -1.842 208 HG11 VAL 27 1HG1 VAL 27 -8.288 -0.682 -0.774 209 HG12 VAL 27 2HG1 VAL 27 -8.873 -0.105 0.787 210 HG13 VAL 27 3HG1 VAL 27 -7.763 0.886 -0.159 211 HG21 VAL 27 3HG2 VAL 27 -10.445 -1.056 -1.601 212 HG22 VAL 27 1HG2 VAL 27 -11.600 0.253 -1.848 213 HG23 VAL 27 2HG2 VAL 27 -11.363 -0.417 -0.237 214 H ARG 28 HN ARG 28 -11.506 4.037 -1.074 215 HA ARG 28 HA ARG 28 -14.158 3.157 -0.300 216 HE ARG 28 HE ARG 28 -12.330 7.782 1.460 217 HB2 ARG 28 2HB ARG 28 -13.483 5.482 -2.091 218 HB3 ARG 28 1HB ARG 28 -14.931 5.260 -1.124 219 HG2 ARG 28 2HG ARG 28 -13.557 5.533 0.918 220 HG3 ARG 28 1HG ARG 28 -12.167 5.889 -0.111 221 HD2 ARG 28 2HD ARG 28 -13.468 7.771 -1.100 222 HD3 ARG 28 1HD ARG 28 -14.737 7.454 0.081 223 HH11 ARG 28 1HH1 ARG 28 -14.533 9.655 -0.484 224 HH12 ARG 28 2HH1 ARG 28 -14.156 11.152 0.302 225 HH21 ARG 28 2HH2 ARG 28 -12.617 11.204 1.998 226 HH22 ARG 28 1HH2 ARG 28 -11.828 9.745 2.499 227 H TRP 29 HN TRP 29 -13.525 1.222 -1.459 228 HA TRP 29 HA TRP 29 -12.891 0.559 -3.856 229 HD1 TRP 29 HD1 TRP 29 -13.204 -0.967 -5.541 230 HE1 TRP 29 HE1 TRP 29 -14.237 -2.873 -6.939 231 HE3 TRP 29 HE3 TRP 29 -16.892 -2.439 -2.317 232 HZ2 TRP 29 HZ2 TRP 29 -16.333 -4.753 -6.699 233 HZ3 TRP 29 HZ3 TRP 29 -18.364 -4.298 -2.974 234 HH2 TRP 29 HH2 TRP 29 -18.089 -5.429 -5.120 235 HB2 TRP 29 2HB TRP 29 -13.808 -1.013 -2.287 236 HB3 TRP 29 1HB TRP 29 -15.412 -0.320 -2.501 237 H LYS 30 HN LYS 30 -13.087 2.237 -5.282 238 HA LYS 30 HA LYS 30 -14.976 3.784 -6.251 239 HB2 LYS 30 2HB LYS 30 -12.817 3.342 -7.409 240 HB3 LYS 30 1HB LYS 30 -13.534 1.907 -8.127 241 HG2 LYS 30 2HG LYS 30 -15.161 3.263 -9.294 242 HG3 LYS 30 1HG LYS 30 -14.531 4.719 -8.522 243 HD2 LYS 30 2HD LYS 30 -12.375 4.371 -9.620 244 HD3 LYS 30 1HD LYS 30 -12.997 2.906 -10.385 245 HE2 LYS 30 2HE LYS 30 -13.035 4.839 -11.906 246 HE3 LYS 30 1HE LYS 30 -14.649 4.201 -11.594 247 HZ1 LYS 30 3HZ LYS 30 -13.457 6.577 -10.267 248 HZ2 LYS 30 1HZ LYS 30 -15.016 5.973 -10.005 249 HZ3 LYS 30 2HZ LYS 30 -14.601 6.620 -11.512 250 H ASP 31 HN ASP 31 -15.149 0.289 -6.691 251 HA ASP 31 HA ASP 31 -17.830 0.611 -7.861 252 HB2 ASP 31 2HB ASP 31 -16.169 -0.670 -9.215 253 HB3 ASP 31 1HB ASP 31 -16.055 -1.841 -7.905 254 H GLY 32 HN GLY 32 -17.929 1.105 -5.297 255 HA2 GLY 32 2HA GLY 32 -19.252 -1.242 -4.174 256 HA3 GLY 32 1HA GLY 32 -17.901 -0.580 -3.258 257 H GLY 33 HN GLY 33 -18.923 0.181 -1.505 258 HA2 GLY 33 2HA GLY 33 -20.599 2.539 -1.889 259 HA3 GLY 33 1HA GLY 33 -21.308 1.203 -0.989 260 H ASP 34 HN ASP 34 -19.173 0.311 0.474 261 HA ASP 34 HA ASP 34 -18.680 2.595 2.259 262 HB2 ASP 34 2HB ASP 34 -19.940 0.721 3.247 263 HB3 ASP 34 1HB ASP 34 -18.618 -0.374 2.855 264 H CYS 35 HN CYS 35 -16.577 2.515 3.468 265 HA CYS 35 HA CYS 35 -14.443 1.459 1.730 266 HG CYS 35 HG CYS 35 -13.670 5.552 3.809 267 HB2 CYS 35 2HB CYS 35 -13.081 3.408 2.350 268 HB3 CYS 35 1HB CYS 35 -14.574 3.890 1.550 269 H GLU 36 HN GLU 36 -12.767 0.416 2.657 270 HA GLU 36 HA GLU 36 -12.655 0.303 5.594 271 HB2 GLU 36 2HB GLU 36 -13.766 -1.725 4.496 272 HB3 GLU 36 1HB GLU 36 -12.182 -2.099 3.833 273 HG2 GLU 36 2HG GLU 36 -12.766 -3.339 5.906 274 HG3 GLU 36 1HG GLU 36 -11.260 -2.430 5.995 275 H TRP 37 HN TRP 37 -10.501 -0.692 6.316 276 HA TRP 37 HA TRP 37 -8.393 0.675 4.863 277 HD1 TRP 37 HD1 TRP 37 -9.074 2.571 5.934 278 HE1 TRP 37 HE1 TRP 37 -9.978 4.119 7.780 279 HE3 TRP 37 HE3 TRP 37 -8.262 -0.437 9.989 280 HZ2 TRP 37 HZ2 TRP 37 -10.305 4.072 10.582 281 HZ3 TRP 37 HZ3 TRP 37 -8.900 0.390 12.216 282 HH2 TRP 37 HH2 TRP 37 -9.899 2.600 12.505 283 HB2 TRP 37 2HB TRP 37 -8.280 -0.844 7.478 284 HB3 TRP 37 1HB TRP 37 -7.014 0.188 6.823 285 H VAL 38 HN VAL 38 -6.588 -0.286 3.974 286 HA VAL 38 HA VAL 38 -6.905 -3.089 3.266 287 HB VAL 38 HB VAL 38 -4.828 -1.076 2.375 288 HG11 VAL 38 1HG1 VAL 38 -5.393 -3.879 1.409 289 HG12 VAL 38 2HG1 VAL 38 -3.940 -3.325 2.241 290 HG13 VAL 38 3HG1 VAL 38 -4.307 -2.737 0.620 291 HG21 VAL 38 3HG2 VAL 38 -7.054 -2.214 0.718 292 HG22 VAL 38 1HG2 VAL 38 -6.063 -0.791 0.405 293 HG23 VAL 38 2HG2 VAL 38 -7.276 -0.760 1.687 294 H LYS 39 HN LYS 39 -5.200 -4.627 3.521 295 HA LYS 39 HA LYS 39 -4.102 -4.588 6.112 296 HB2 LYS 39 2HB LYS 39 -4.741 -6.667 4.965 297 HB3 LYS 39 1HB LYS 39 -3.447 -6.418 3.803 298 HG2 LYS 39 2HG LYS 39 -1.789 -6.654 5.556 299 HG3 LYS 39 1HG LYS 39 -3.066 -6.831 6.761 300 HD2 LYS 39 2HD LYS 39 -2.162 -9.006 6.151 301 HD3 LYS 39 1HD LYS 39 -3.841 -8.865 5.624 302 HE2 LYS 39 2HE LYS 39 -3.036 -8.279 3.359 303 HE3 LYS 39 1HE LYS 39 -1.381 -8.538 3.909 304 HZ1 LYS 39 3HZ LYS 39 -3.536 -10.577 3.796 305 HZ2 LYS 39 1HZ LYS 39 -1.991 -10.844 4.431 306 HZ3 LYS 39 2HZ LYS 39 -2.181 -10.490 2.788 307 H GLY 40 HN GLY 40 -2.627 -3.145 6.633 308 HA2 GLY 40 2HA GLY 40 -0.437 -2.588 4.798 309 HA3 GLY 40 1HA GLY 40 -0.791 -1.715 6.275 310 H VAL 41 HN VAL 41 -0.493 -5.193 5.916 311 HA VAL 41 HA VAL 41 1.896 -5.102 7.636 312 HB VAL 41 HB VAL 41 0.294 -7.599 7.271 313 HG11 VAL 41 1HG1 VAL 41 2.444 -7.684 8.423 314 HG12 VAL 41 2HG1 VAL 41 1.116 -8.082 9.512 315 HG13 VAL 41 3HG1 VAL 41 1.871 -6.490 9.588 316 HG21 VAL 41 3HG2 VAL 41 -0.407 -5.417 9.237 317 HG22 VAL 41 1HG2 VAL 41 -1.122 -7.028 9.182 318 HG23 VAL 41 2HG2 VAL 41 -1.376 -5.904 7.847 319 H HIS 42 HN HIS 42 1.226 -5.203 4.517 320 HA HIS 42 HA HIS 42 2.530 -7.605 3.694 321 HD1 HIS 42 HD1 HIS 42 -0.718 -7.358 2.296 322 HD2 HIS 42 HD2 HIS 42 2.819 -8.238 0.304 323 HE1 HIS 42 HE1 HIS 42 -1.219 -9.393 0.906 324 HE2 HIS 42 HE2 HIS 42 0.965 -9.968 -0.210 325 HB2 HIS 42 2HB HIS 42 1.022 -5.514 2.464 326 HB3 HIS 42 1HB HIS 42 2.537 -5.721 1.581 327 H VAL 43 HN VAL 43 4.288 -7.423 5.022 328 HA VAL 43 HA VAL 43 6.226 -5.458 5.005 329 HB VAL 43 HB VAL 43 6.620 -8.407 5.466 330 HG11 VAL 43 1HG1 VAL 43 8.328 -6.029 6.165 331 HG12 VAL 43 2HG1 VAL 43 8.765 -7.424 5.179 332 HG13 VAL 43 3HG1 VAL 43 8.517 -7.615 6.913 333 HG21 VAL 43 3HG2 VAL 43 5.973 -6.185 7.401 334 HG22 VAL 43 1HG2 VAL 43 6.328 -7.856 7.837 335 HG23 VAL 43 2HG2 VAL 43 4.886 -7.478 6.896 336 H ALA 44 HN ALA 44 6.213 -4.948 2.675 337 HA ALA 44 HA ALA 44 7.948 -6.658 1.089 338 HB1 ALA 44 3HB ALA 44 5.882 -5.605 0.105 339 HB2 ALA 44 1HB ALA 44 7.374 -5.294 -0.782 340 HB3 ALA 44 2HB ALA 44 6.693 -4.045 0.260 341 H GLU 45 HN GLU 45 9.268 -5.853 3.195 342 HA GLU 45 HA GLU 45 10.524 -3.413 3.312 343 HB2 GLU 45 2HB GLU 45 10.828 -5.162 5.005 344 HB3 GLU 45 1HB GLU 45 11.748 -6.126 3.859 345 HG2 GLU 45 2HG GLU 45 13.218 -5.007 5.418 346 HG3 GLU 45 1HG GLU 45 13.471 -4.399 3.782 347 H ASP 46 HN ASP 46 10.953 -5.977 1.049 348 HA ASP 46 HA ASP 46 13.446 -5.061 -0.017 349 HB2 ASP 46 2HB ASP 46 11.346 -6.849 -1.254 350 HB3 ASP 46 1HB ASP 46 12.986 -6.625 -1.856 351 H VAL 47 HN VAL 47 10.037 -4.740 -1.005 352 HA VAL 47 HA VAL 47 10.493 -3.311 -3.374 353 HB VAL 47 HB VAL 47 8.142 -3.122 -1.485 354 HG11 VAL 47 1HG1 VAL 47 8.254 -2.374 -4.403 355 HG12 VAL 47 2HG1 VAL 47 8.370 -1.209 -3.084 356 HG13 VAL 47 3HG1 VAL 47 6.900 -2.162 -3.294 357 HG21 VAL 47 3HG2 VAL 47 8.581 -5.386 -2.336 358 HG22 VAL 47 1HG2 VAL 47 8.516 -4.767 -3.986 359 HG23 VAL 47 2HG2 VAL 47 7.075 -4.722 -2.971 360 H ALA 48 HN ALA 48 9.946 -2.208 -0.124 361 HA ALA 48 HA ALA 48 10.134 0.567 -0.490 362 HB1 ALA 48 3HB ALA 48 8.975 -0.257 1.410 363 HB2 ALA 48 1HB ALA 48 10.404 0.598 1.988 364 HB3 ALA 48 2HB ALA 48 10.388 -1.165 1.949 365 H LYS 49 HN LYS 49 12.384 -1.732 1.057 366 HA LYS 49 HA LYS 49 14.495 0.045 1.410 367 HB2 LYS 49 2HB LYS 49 14.394 -2.205 2.429 368 HB3 LYS 49 1HB LYS 49 14.662 -2.925 0.847 369 HG2 LYS 49 2HG LYS 49 16.865 -2.016 0.728 370 HG3 LYS 49 1HG LYS 49 16.602 -1.056 2.186 371 HD2 LYS 49 2HD LYS 49 17.945 -3.061 2.638 372 HD3 LYS 49 1HD LYS 49 16.411 -3.086 3.512 373 HE2 LYS 49 2HE LYS 49 15.467 -4.558 1.794 374 HE3 LYS 49 1HE LYS 49 17.005 -4.534 0.932 375 HZ1 LYS 49 3HZ LYS 49 16.758 -6.524 2.288 376 HZ2 LYS 49 1HZ LYS 49 16.592 -5.581 3.681 377 HZ3 LYS 49 2HZ LYS 49 18.054 -5.582 2.831 378 H ASP 50 HN ASP 50 13.483 -1.793 -1.381 379 HA ASP 50 HA ASP 50 15.787 -0.888 -2.903 380 HB2 ASP 50 2HB ASP 50 15.326 -2.539 -4.420 381 HB3 ASP 50 1HB ASP 50 14.612 -3.245 -2.979 382 H TYR 51 HN TYR 51 12.523 0.014 -2.317 383 HA TYR 51 HA TYR 51 12.058 1.312 -4.757 384 HD1 TYR 51 HD1 TYR 51 11.019 -0.241 -5.145 385 HD2 TYR 51 HD2 TYR 51 8.012 2.038 -3.170 386 HE1 TYR 51 HE1 TYR 51 9.306 -1.283 -6.561 387 HE2 TYR 51 HE2 TYR 51 6.294 0.997 -4.586 388 HH TYR 51 HH TYR 51 6.906 -1.731 -6.519 389 HB2 TYR 51 2HB TYR 51 10.671 1.163 -2.225 390 HB3 TYR 51 1HB TYR 51 10.433 2.674 -3.066 391 H GLU 52 HN GLU 52 12.610 2.582 -1.533 392 HA GLU 52 HA GLU 52 13.418 5.147 -2.624 393 HB2 GLU 52 2HB GLU 52 13.209 6.022 -0.407 394 HB3 GLU 52 1HB GLU 52 11.803 5.017 -0.728 395 HG2 GLU 52 2HG GLU 52 12.875 3.181 0.526 396 HG3 GLU 52 1HG GLU 52 14.213 4.263 0.909 397 H ASP 53 HN ASP 53 14.683 2.684 -0.419 398 HA ASP 53 HA ASP 53 17.245 3.923 -0.182 399 HB2 ASP 53 2HB ASP 53 15.890 1.532 0.860 400 HB3 ASP 53 1HB ASP 53 17.632 1.345 0.641 401 H GLY 54 HN GLY 54 15.811 1.658 -2.378 402 HA2 GLY 54 2HA GLY 54 18.152 0.401 -3.327 403 HA3 GLY 54 1HA GLY 54 16.645 0.557 -4.216 404 H LEU 55 HN LEU 55 16.414 3.270 -4.509 405 HA LEU 55 HA LEU 55 18.328 3.766 -6.586 406 HG LEU 55 HG LEU 55 15.096 3.656 -6.537 407 HB2 LEU 55 2HB LEU 55 16.143 5.513 -5.449 408 HB3 LEU 55 1HB LEU 55 17.086 5.893 -6.879 409 HD11 LEU 55 1HD1 LEU 55 15.215 5.994 -8.436 410 HD12 LEU 55 2HD1 LEU 55 14.169 5.863 -7.023 411 HD13 LEU 55 3HD1 LEU 55 13.956 4.760 -8.382 412 HD21 LEU 55 3HD2 LEU 55 15.640 3.052 -8.871 413 HD22 LEU 55 1HD2 LEU 55 16.976 2.758 -7.756 414 HD23 LEU 55 2HD2 LEU 55 17.004 4.169 -8.816 415 H GLU 56 HN GLU 56 17.346 5.963 -3.961 416 HA GLU 56 HA GLU 56 19.915 7.238 -3.975 417 HB2 GLU 56 2HB GLU 56 17.487 7.567 -2.235 418 HB3 GLU 56 1HB GLU 56 18.953 8.506 -2.009 419 HG2 GLU 56 2HG GLU 56 18.722 9.373 -4.296 420 HG3 GLU 56 1HG GLU 56 17.216 8.471 -4.467 421 H TYR 57 HN TYR 57 20.782 4.909 -3.545 422 HA TYR 57 HA TYR 57 20.748 4.117 -0.766 423 HD1 TYR 57 HD1 TYR 57 20.894 1.492 -0.064 424 HD2 TYR 57 HD2 TYR 57 24.366 2.321 -2.378 425 HE1 TYR 57 HE1 TYR 57 22.219 0.043 1.416 426 HE2 TYR 57 HE2 TYR 57 25.701 0.875 -0.905 427 HH TYR 57 HH TYR 57 25.619 -0.009 1.375 428 HB2 TYR 57 2HB TYR 57 20.795 2.381 -2.459 429 HB3 TYR 57 1HB TYR 57 22.273 3.044 -3.146 430 HA ALA 1 HA ALA 1 -18.608 -6.133 6.944 431 H1 ALA 1 1H ALA 1 -20.074 -7.312 4.656 432 H2 ALA 1 2H ALA 1 -20.402 -5.817 5.376 433 H3 ALA 1 3H ALA 1 -20.621 -7.244 6.256 434 HB1 ALA 1 3HB ALA 1 -17.078 -8.020 6.680 435 HB2 ALA 1 1HB ALA 1 -18.101 -8.675 5.401 436 HB3 ALA 1 2HB ALA 1 -18.712 -8.567 7.053 437 HA PRO 2 HA PRO 2 -17.310 -3.922 3.061 438 HB2 PRO 2 1HB PRO 2 -17.123 -1.734 3.745 439 HB3 PRO 2 2HB PRO 2 -16.288 -2.165 5.241 440 HG2 PRO 2 2HG PRO 2 -18.405 -1.672 6.076 441 HG3 PRO 2 1HG PRO 2 -19.215 -2.247 4.607 442 HD2 PRO 2 2HD PRO 2 -18.124 -3.806 6.907 443 HD3 PRO 2 1HD PRO 2 -19.569 -4.108 5.921 444 HA PRO 3 HA PRO 3 -13.216 -5.732 3.824 445 HB2 PRO 3 1HB PRO 3 -13.802 -7.273 2.196 446 HB3 PRO 3 2HB PRO 3 -12.631 -6.316 1.281 447 HG2 PRO 3 2HG PRO 3 -14.279 -5.131 0.164 448 HG3 PRO 3 1HG PRO 3 -15.122 -6.673 0.383 449 HD2 PRO 3 2HD PRO 3 -16.050 -4.241 1.297 450 HD3 PRO 3 1HD PRO 3 -16.520 -5.814 1.971 451 H GLY 4 HN GLY 4 -13.970 -3.372 1.279 452 HA2 GLY 4 2HA GLY 4 -12.732 -1.655 0.377 453 HA3 GLY 4 1HA GLY 4 -12.243 -1.386 2.041 454 H THR 5 HN THR 5 -11.412 -2.976 -0.970 455 HA THR 5 HA THR 5 -8.601 -2.748 -0.315 456 HB THR 5 HB THR 5 -8.073 -5.098 -0.842 457 HG1 THR 5 HG1 THR 5 -10.284 -5.311 -1.933 458 HG21 THR 5 3HG2 THR 5 -8.313 -4.428 1.497 459 HG22 THR 5 1HG2 THR 5 -8.870 -6.085 1.258 460 HG23 THR 5 2HG2 THR 5 -10.041 -4.776 1.428 461 H ALA 6 HN ALA 6 -7.190 -3.107 -2.128 462 HA ALA 6 HA ALA 6 -8.428 -3.360 -4.756 463 HB1 ALA 6 3HB ALA 6 -7.858 -1.284 -5.575 464 HB2 ALA 6 1HB ALA 6 -6.634 -1.013 -4.335 465 HB3 ALA 6 2HB ALA 6 -8.345 -0.900 -3.926 466 H ARG 7 HN ARG 7 -5.447 -2.837 -2.920 467 HA ARG 7 HA ARG 7 -3.403 -3.859 -3.050 468 HE ARG 7 HE ARG 7 -6.414 -8.009 -2.423 469 HB2 ARG 7 2HB ARG 7 -4.432 -5.433 -5.412 470 HB3 ARG 7 1HB ARG 7 -3.076 -5.827 -4.365 471 HG2 ARG 7 2HG ARG 7 -4.564 -6.263 -2.522 472 HG3 ARG 7 1HG ARG 7 -5.953 -5.737 -3.478 473 HD2 ARG 7 2HD ARG 7 -5.560 -7.571 -5.049 474 HD3 ARG 7 1HD ARG 7 -4.174 -8.092 -4.096 475 HH11 ARG 7 1HH1 ARG 7 -5.195 -9.801 -5.148 476 HH12 ARG 7 2HH1 ARG 7 -6.033 -11.258 -4.730 477 HH21 ARG 7 2HH2 ARG 7 -7.354 -11.329 -2.860 478 HH22 ARG 7 1HH2 ARG 7 -7.519 -9.925 -1.860 479 H ARG 8 HN ARG 8 -1.798 -2.588 -3.733 480 HA ARG 8 HA ARG 8 -2.012 -1.064 -6.130 481 HE ARG 8 HE ARG 8 0.104 2.525 -7.058 482 HB2 ARG 8 2HB ARG 8 -0.683 -0.687 -3.829 483 HB3 ARG 8 1HB ARG 8 0.629 -1.319 -4.815 484 HG2 ARG 8 2HG ARG 8 -1.084 1.074 -5.449 485 HG3 ARG 8 1HG ARG 8 0.592 1.099 -4.900 486 HD2 ARG 8 2HD ARG 8 1.283 -0.064 -6.928 487 HD3 ARG 8 1HD ARG 8 -0.394 -0.134 -7.471 488 HH11 ARG 8 1HH1 ARG 8 1.523 0.003 -8.993 489 HH12 ARG 8 2HH1 ARG 8 2.048 1.080 -10.244 490 HH21 ARG 8 2HH2 ARG 8 1.630 3.327 -10.074 491 HH22 ARG 8 1HH2 ARG 8 0.787 3.952 -8.696 492 H LYS 9 HN LYS 9 0.272 -3.671 -5.173 493 HA LYS 9 HA LYS 9 0.529 -4.294 -8.030 494 HB2 LYS 9 2HB LYS 9 2.880 -4.175 -6.130 495 HB3 LYS 9 1HB LYS 9 2.932 -4.561 -7.843 496 HG2 LYS 9 2HG LYS 9 2.037 -2.256 -8.286 497 HG3 LYS 9 1HG LYS 9 2.303 -1.913 -6.576 498 HD2 LYS 9 2HD LYS 9 4.199 -1.128 -7.838 499 HD3 LYS 9 1HD LYS 9 4.689 -2.522 -6.875 500 HE2 LYS 9 2HE LYS 9 4.473 -3.960 -8.837 501 HE3 LYS 9 1HE LYS 9 3.950 -2.581 -9.799 502 HZ1 LYS 9 3HZ LYS 9 6.276 -3.040 -10.167 503 HZ2 LYS 9 1HZ LYS 9 6.607 -2.904 -8.513 504 HZ3 LYS 9 2HZ LYS 9 6.109 -1.547 -9.391 505 H ARG 10 HN ARG 10 2.320 -6.374 -7.887 506 HA ARG 10 HA ARG 10 0.824 -8.590 -7.356 507 HE ARG 10 HE ARG 10 6.611 -7.908 -6.044 508 HB2 ARG 10 2HB ARG 10 2.888 -9.864 -7.346 509 HB3 ARG 10 1HB ARG 10 2.985 -8.590 -8.556 510 HG2 ARG 10 2HG ARG 10 4.429 -7.293 -7.226 511 HG3 ARG 10 1HG ARG 10 4.107 -8.266 -5.787 512 HD2 ARG 10 2HD ARG 10 5.206 -10.183 -6.858 513 HD3 ARG 10 1HD ARG 10 5.537 -9.198 -8.281 514 HH11 ARG 10 1HH1 ARG 10 7.095 -10.795 -7.927 515 HH12 ARG 10 2HH1 ARG 10 8.792 -10.887 -7.592 516 HH21 ARG 10 2HH2 ARG 10 9.787 -9.307 -6.264 517 HH22 ARG 10 1HH2 ARG 10 8.845 -8.017 -5.594 518 H LYS 11 HN LYS 11 2.587 -6.632 -5.098 519 HA LYS 11 HA LYS 11 2.518 -6.549 -2.821 520 HB2 LYS 11 2HB LYS 11 0.830 -9.045 -2.818 521 HB3 LYS 11 1HB LYS 11 0.956 -7.825 -1.562 522 HG2 LYS 11 2HG LYS 11 0.010 -6.218 -3.346 523 HG3 LYS 11 1HG LYS 11 -0.491 -7.698 -4.168 524 HD2 LYS 11 2HD LYS 11 -1.117 -7.283 -1.275 525 HD3 LYS 11 1HD LYS 11 -2.124 -6.542 -2.520 526 HE2 LYS 11 2HE LYS 11 -3.080 -8.661 -1.868 527 HE3 LYS 11 1HE LYS 11 -2.473 -8.771 -3.517 528 HZ1 LYS 11 3HZ LYS 11 -1.969 -10.641 -1.818 529 HZ2 LYS 11 1HZ LYS 11 -0.743 -9.600 -1.295 530 HZ3 LYS 11 2HZ LYS 11 -0.767 -10.143 -2.897 531 H ALA 12 HN ALA 12 4.665 -6.960 -2.560 532 HA ALA 12 HA ALA 12 5.514 -9.765 -2.406 533 HB1 ALA 12 3HB ALA 12 6.697 -7.931 -3.828 534 HB2 ALA 12 1HB ALA 12 7.661 -9.093 -2.916 535 HB3 ALA 12 2HB ALA 12 7.415 -7.465 -2.284 536 H ASP 13 HN ASP 13 5.017 -10.447 -0.349 537 HA ASP 13 HA ASP 13 6.218 -8.888 1.845 538 HB2 ASP 13 2HB ASP 13 4.421 -9.704 3.319 539 HB3 ASP 13 1HB ASP 13 3.783 -8.759 1.975 540 H SER 14 HN SER 14 7.764 -10.686 0.576 541 HA SER 14 HA SER 14 9.164 -12.431 0.959 542 HG SER 14 HG SER 14 10.448 -11.548 3.511 543 HB2 SER 14 2HB SER 14 7.891 -12.407 3.705 544 HB3 SER 14 1HB SER 14 9.343 -13.309 3.268 Start of MODEL 16 1 H1 GLY 1 1H GLY 1 11.289 8.677 -3.213 2 H2 GLY 1 2H GLY 1 11.203 7.135 -3.902 3 H3 GLY 1 3H GLY 1 11.438 8.489 -4.887 4 HA2 GLY 1 1HA GLY 1 13.520 7.372 -4.668 5 HA3 GLY 1 2HA GLY 1 13.587 8.900 -3.805 6 H SER 2 HN SER 2 11.712 7.468 -1.765 7 HA SER 2 HA SER 2 13.317 5.447 -0.573 8 HG SER 2 HG SER 2 13.711 9.137 0.097 9 HB2 SER 2 2HB SER 2 13.934 6.747 1.473 10 HB3 SER 2 1HB SER 2 14.767 7.297 0.019 11 H GLN 3 HN GLN 3 11.101 8.088 0.274 12 HA GLN 3 HA GLN 3 9.461 6.182 1.785 13 HB2 GLN 3 2HB GLN 3 10.176 8.072 3.089 14 HB3 GLN 3 1HB GLN 3 9.615 9.174 1.848 15 HG2 GLN 3 2HG GLN 3 7.299 8.384 2.265 16 HG3 GLN 3 1HG GLN 3 7.928 7.428 3.607 17 HE21 GLN 3 2HE2 GLN 3 7.380 11.431 3.958 18 HE22 GLN 3 1HE2 GLN 3 7.213 10.616 2.443 19 H VAL 4 HN VAL 4 7.901 5.321 0.514 20 HA VAL 4 HA VAL 4 6.246 7.171 -1.028 21 HB VAL 4 HB VAL 4 7.429 4.660 -2.210 22 HG11 VAL 4 1HG1 VAL 4 5.165 5.087 -3.011 23 HG12 VAL 4 2HG1 VAL 4 6.345 5.383 -4.287 24 HG13 VAL 4 3HG1 VAL 4 5.611 6.741 -3.431 25 HG21 VAL 4 3HG2 VAL 4 9.090 6.416 -2.061 26 HG22 VAL 4 1HG2 VAL 4 7.981 7.567 -2.807 27 HG23 VAL 4 2HG2 VAL 4 8.595 6.201 -3.740 28 H PHE 5 HN PHE 5 6.620 3.697 -0.345 29 HA PHE 5 HA PHE 5 5.125 2.110 0.341 30 HD1 PHE 5 HD1 PHE 5 3.041 6.068 1.793 31 HD2 PHE 5 HD2 PHE 5 6.097 3.253 2.710 32 HE1 PHE 5 HE1 PHE 5 4.129 7.731 3.242 33 HE2 PHE 5 HE2 PHE 5 7.193 4.912 4.161 34 HZ PHE 5 HZ PHE 5 6.205 7.152 4.431 35 HB2 PHE 5 2HB PHE 5 2.903 3.979 0.922 36 HB3 PHE 5 1HB PHE 5 3.570 2.687 1.893 37 H GLU 6 HN GLU 6 2.209 2.231 0.005 38 HA GLU 6 HA GLU 6 1.803 2.875 -2.787 39 HB2 GLU 6 2HB GLU 6 1.995 0.047 -1.829 40 HB3 GLU 6 1HB GLU 6 0.920 0.455 -3.156 41 HG2 GLU 6 2HG GLU 6 2.735 1.302 -4.454 42 HG3 GLU 6 1HG GLU 6 3.853 1.092 -3.108 43 H TYR 7 HN TYR 7 -0.349 2.970 -3.418 44 HA TYR 7 HA TYR 7 -2.231 2.846 -1.215 45 HD1 TYR 7 HD1 TYR 7 -3.947 3.502 -5.059 46 HD2 TYR 7 HD2 TYR 7 -0.409 5.486 -3.778 47 HE1 TYR 7 HE1 TYR 7 -3.345 3.926 -7.405 48 HE2 TYR 7 HE2 TYR 7 0.204 5.917 -6.120 49 HH TYR 7 HH TYR 7 -0.255 5.026 -8.339 50 HB2 TYR 7 2HB TYR 7 -3.664 4.228 -2.738 51 HB3 TYR 7 1HB TYR 7 -2.182 5.003 -2.213 52 H ALA 8 HN ALA 8 -3.054 0.913 -1.046 53 HA ALA 8 HA ALA 8 -3.758 -0.614 -3.423 54 HB1 ALA 8 3HB ALA 8 -2.778 -2.008 -1.851 55 HB2 ALA 8 1HB ALA 8 -4.496 -2.292 -1.587 56 HB3 ALA 8 2HB ALA 8 -3.602 -1.237 -0.494 57 H GLU 9 HN GLU 9 -5.276 1.551 -3.507 58 HA GLU 9 HA GLU 9 -7.874 0.699 -2.463 59 HB2 GLU 9 2HB GLU 9 -8.362 2.810 -1.841 60 HB3 GLU 9 1HB GLU 9 -6.626 2.934 -1.762 61 HG2 GLU 9 2HG GLU 9 -8.345 3.820 -4.058 62 HG3 GLU 9 1HG GLU 9 -7.652 4.863 -2.828 63 H VAL 10 HN VAL 10 -9.734 1.550 -3.702 64 HA VAL 10 HA VAL 10 -9.164 1.062 -6.486 65 HB VAL 10 HB VAL 10 -11.802 0.792 -5.161 66 HG11 VAL 10 1HG1 VAL 10 -10.791 -0.416 -7.722 67 HG12 VAL 10 2HG1 VAL 10 -11.754 1.057 -7.638 68 HG13 VAL 10 3HG1 VAL 10 -12.439 -0.475 -7.100 69 HG21 VAL 10 3HG2 VAL 10 -10.326 -0.712 -4.042 70 HG22 VAL 10 1HG2 VAL 10 -9.658 -1.267 -5.578 71 HG23 VAL 10 2HG2 VAL 10 -11.323 -1.654 -5.152 72 H ASP 11 HN ASP 11 -10.212 3.487 -4.382 73 HA ASP 11 HA ASP 11 -10.685 5.232 -6.663 74 HB2 ASP 11 2HB ASP 11 -12.910 4.286 -5.949 75 HB3 ASP 11 1HB ASP 11 -12.680 5.087 -4.401 76 H GLU 12 HN GLU 12 -10.428 4.927 -3.146 77 HA GLU 12 HA GLU 12 -8.801 7.318 -3.028 78 HB2 GLU 12 2HB GLU 12 -11.530 7.234 -1.746 79 HB3 GLU 12 1HB GLU 12 -10.277 8.367 -1.262 80 HG2 GLU 12 2HG GLU 12 -11.381 8.154 -4.050 81 HG3 GLU 12 1HG GLU 12 -11.947 9.302 -2.838 82 H ILE 13 HN ILE 13 -8.078 7.760 -0.712 83 HA ILE 13 HA ILE 13 -8.251 5.372 0.984 84 HB ILE 13 HB ILE 13 -5.863 5.258 1.387 85 HG12 ILE 13 2HG1 ILE 13 -5.436 7.723 1.218 86 HG13 ILE 13 1HG1 ILE 13 -4.264 6.756 0.325 87 HG21 ILE 13 1HG2 ILE 13 -7.053 4.694 -1.032 88 HG22 ILE 13 2HG2 ILE 13 -5.513 4.076 -0.452 89 HG23 ILE 13 3HG2 ILE 13 -5.560 5.508 -1.480 90 HD11 ILE 13 3HD1 ILE 13 -5.983 7.198 -1.646 91 HD12 ILE 13 1HD1 ILE 13 -4.695 8.334 -1.238 92 HD13 ILE 13 2HD1 ILE 13 -6.336 8.618 -0.661 93 H VAL 14 HN VAL 14 -6.578 6.158 3.024 94 HA VAL 14 HA VAL 14 -7.183 8.901 3.760 95 HB VAL 14 HB VAL 14 -8.207 6.576 5.401 96 HG11 VAL 14 1HG1 VAL 14 -9.011 8.262 6.983 97 HG12 VAL 14 2HG1 VAL 14 -8.237 9.529 6.030 98 HG13 VAL 14 3HG1 VAL 14 -7.254 8.308 6.837 99 HG21 VAL 14 3HG2 VAL 14 -10.403 7.684 5.066 100 HG22 VAL 14 1HG2 VAL 14 -9.683 7.089 3.571 101 HG23 VAL 14 2HG2 VAL 14 -9.625 8.810 3.952 102 H GLU 15 HN GLU 15 -6.129 5.830 5.207 103 HA GLU 15 HA GLU 15 -3.915 7.233 6.503 104 HB2 GLU 15 2HB GLU 15 -5.288 5.596 7.792 105 HB3 GLU 15 1HB GLU 15 -4.722 4.324 6.717 106 HG2 GLU 15 2HG GLU 15 -3.480 4.307 8.790 107 HG3 GLU 15 1HG GLU 15 -2.427 4.730 7.441 108 H LYS 16 HN LYS 16 -1.805 7.014 5.861 109 HA LYS 16 HA LYS 16 -1.090 4.901 3.980 110 HB2 LYS 16 2HB LYS 16 -0.021 6.721 2.485 111 HB3 LYS 16 1HB LYS 16 -1.758 6.468 2.372 112 HG2 LYS 16 2HG LYS 16 -2.146 8.392 3.815 113 HG3 LYS 16 1HG LYS 16 -0.405 8.639 3.963 114 HD2 LYS 16 2HD LYS 16 -1.726 8.584 1.274 115 HD3 LYS 16 1HD LYS 16 -1.726 10.054 2.251 116 HE2 LYS 16 2HE LYS 16 0.699 10.029 2.329 117 HE3 LYS 16 1HE LYS 16 0.735 8.518 1.424 118 HZ1 LYS 16 3HZ LYS 16 -0.275 11.129 0.434 119 HZ2 LYS 16 1HZ LYS 16 -0.321 9.678 -0.437 120 HZ3 LYS 16 2HZ LYS 16 1.166 10.374 -0.029 121 H ARG 17 HN ARG 17 0.447 4.142 5.496 122 HA ARG 17 HA ARG 17 2.882 5.683 5.659 123 HE ARG 17 HE ARG 17 1.086 9.509 8.227 124 HB2 ARG 17 2HB ARG 17 1.291 5.087 8.152 125 HB3 ARG 17 1HB ARG 17 2.997 5.512 8.171 126 HG2 ARG 17 2HG ARG 17 2.443 7.655 7.083 127 HG3 ARG 17 1HG ARG 17 0.733 7.227 7.170 128 HD2 ARG 17 2HD ARG 17 0.861 7.130 9.596 129 HD3 ARG 17 1HD ARG 17 2.586 7.489 9.535 130 HH11 ARG 17 1HH1 ARG 17 1.934 8.311 11.385 131 HH12 ARG 17 2HH1 ARG 17 1.762 9.851 12.159 132 HH21 ARG 17 2HH2 ARG 17 1.148 11.688 10.936 133 HH22 ARG 17 1HH2 ARG 17 0.856 11.542 9.234 134 H GLY 18 HN GLY 18 3.848 3.884 4.589 135 HA2 GLY 18 2HA GLY 18 4.431 1.722 6.438 136 HA3 GLY 18 1HA GLY 18 3.637 1.264 4.960 137 H LYS 19 HN LYS 19 5.066 0.185 3.868 138 HA LYS 19 HA LYS 19 7.810 1.173 3.608 139 HB2 LYS 19 2HB LYS 19 6.527 -1.509 3.455 140 HB3 LYS 19 1HB LYS 19 8.121 -1.250 2.760 141 HG2 LYS 19 2HG LYS 19 9.017 -0.669 4.915 142 HG3 LYS 19 1HG LYS 19 7.404 -0.724 5.638 143 HD2 LYS 19 2HD LYS 19 7.253 -3.108 5.032 144 HD3 LYS 19 1HD LYS 19 8.904 -3.034 4.415 145 HE2 LYS 19 2HE LYS 19 8.041 -2.518 7.260 146 HE3 LYS 19 1HE LYS 19 8.848 -3.969 6.670 147 HZ1 LYS 19 3HZ LYS 19 9.994 -1.228 6.640 148 HZ2 LYS 19 1HZ LYS 19 10.769 -2.629 6.093 149 HZ3 LYS 19 2HZ LYS 19 10.401 -2.453 7.734 150 H GLY 20 HN GLY 20 6.338 -1.102 1.498 151 HA2 GLY 20 2HA GLY 20 6.230 0.819 -0.696 152 HA3 GLY 20 1HA GLY 20 6.968 -0.772 -0.895 153 H LYS 21 HN LYS 21 5.426 -2.313 0.553 154 HA LYS 21 HA LYS 21 2.684 -2.008 -0.418 155 HB2 LYS 21 2HB LYS 21 4.585 -4.221 -0.887 156 HB3 LYS 21 1HB LYS 21 2.947 -4.699 -0.462 157 HG2 LYS 21 2HG LYS 21 3.353 -2.659 -2.589 158 HG3 LYS 21 1HG LYS 21 3.647 -4.358 -2.957 159 HD2 LYS 21 2HD LYS 21 1.349 -3.678 -3.510 160 HD3 LYS 21 1HD LYS 21 1.384 -4.921 -2.258 161 HE2 LYS 21 2HE LYS 21 1.096 -3.192 -0.546 162 HE3 LYS 21 1HE LYS 21 1.041 -1.960 -1.806 163 HZ1 LYS 21 3HZ LYS 21 -0.879 -4.214 -1.589 164 HZ2 LYS 21 1HZ LYS 21 -0.967 -2.905 -2.660 165 HZ3 LYS 21 2HZ LYS 21 -1.167 -2.656 -0.998 166 H ASP 22 HN ASP 22 4.663 -2.358 2.247 167 HA ASP 22 HA ASP 22 2.897 -3.965 3.810 168 HB2 ASP 22 2HB ASP 22 5.370 -4.112 4.059 169 HB3 ASP 22 1HB ASP 22 5.338 -2.475 4.670 170 H VAL 23 HN VAL 23 2.563 -1.055 2.746 171 HA VAL 23 HA VAL 23 1.948 0.367 5.167 172 HB VAL 23 HB VAL 23 2.954 1.502 3.243 173 HG11 VAL 23 1HG1 VAL 23 2.254 0.750 1.252 174 HG12 VAL 23 2HG1 VAL 23 0.966 1.940 1.442 175 HG13 VAL 23 3HG1 VAL 23 0.681 0.258 1.874 176 HG21 VAL 23 3HG2 VAL 23 0.193 2.608 3.514 177 HG22 VAL 23 1HG2 VAL 23 1.739 3.456 3.481 178 HG23 VAL 23 2HG2 VAL 23 1.265 2.539 4.911 179 H GLU 24 HN GLU 24 -0.121 1.324 5.509 180 HA GLU 24 HA GLU 24 -2.305 -0.413 4.598 181 HB2 GLU 24 2HB GLU 24 -3.529 0.425 6.603 182 HB3 GLU 24 1HB GLU 24 -2.072 -0.478 6.991 183 HG2 GLU 24 2HG GLU 24 -0.875 1.646 7.323 184 HG3 GLU 24 1HG GLU 24 -2.376 2.515 7.004 185 H TYR 25 HN TYR 25 -3.723 0.431 3.240 186 HA TYR 25 HA TYR 25 -4.126 3.324 3.182 187 HD1 TYR 25 HD1 TYR 25 -3.752 4.803 -0.075 188 HD2 TYR 25 HD2 TYR 25 -1.218 2.244 2.185 189 HE1 TYR 25 HE1 TYR 25 -1.885 6.354 -0.436 190 HE2 TYR 25 HE2 TYR 25 0.661 3.799 1.827 191 HH TYR 25 HH TYR 25 0.223 6.930 0.445 192 HB2 TYR 25 2HB TYR 25 -3.442 1.468 0.968 193 HB3 TYR 25 1HB TYR 25 -4.581 2.764 0.623 194 H LEU 26 HN LEU 26 -6.231 3.991 2.706 195 HA LEU 26 HA LEU 26 -8.273 2.012 3.251 196 HG LEU 26 HG LEU 26 -10.610 3.290 3.019 197 HB2 LEU 26 2HB LEU 26 -8.538 3.993 4.524 198 HB3 LEU 26 1HB LEU 26 -8.211 5.018 3.144 199 HD11 LEU 26 1HD1 LEU 26 -10.262 5.551 4.914 200 HD12 LEU 26 2HD1 LEU 26 -11.136 4.034 5.121 201 HD13 LEU 26 3HD1 LEU 26 -11.820 5.317 4.124 202 HD21 LEU 26 3HD2 LEU 26 -10.273 4.534 1.092 203 HD22 LEU 26 1HD2 LEU 26 -9.811 5.976 1.995 204 HD23 LEU 26 2HD2 LEU 26 -11.490 5.446 1.984 205 H VAL 27 HN VAL 27 -10.185 1.874 1.902 206 HA VAL 27 HA VAL 27 -9.826 2.995 -0.732 207 HB VAL 27 HB VAL 27 -9.399 1.236 -1.854 208 HG11 VAL 27 1HG1 VAL 27 -9.011 -0.154 0.773 209 HG12 VAL 27 2HG1 VAL 27 -7.835 0.869 -0.054 210 HG13 VAL 27 3HG1 VAL 27 -8.330 -0.664 -0.773 211 HG21 VAL 27 3HG2 VAL 27 -10.511 -1.021 -1.575 212 HG22 VAL 27 1HG2 VAL 27 -11.566 0.329 -1.991 213 HG23 VAL 27 2HG2 VAL 27 -11.500 -0.258 -0.334 214 H ARG 28 HN ARG 28 -11.464 4.079 -1.191 215 HA ARG 28 HA ARG 28 -14.127 3.282 -0.360 216 HE ARG 28 HE ARG 28 -15.635 6.804 -0.247 217 HB2 ARG 28 2HB ARG 28 -13.380 5.526 -2.229 218 HB3 ARG 28 1HB ARG 28 -14.865 5.361 -1.305 219 HG2 ARG 28 2HG ARG 28 -13.520 5.647 0.776 220 HG3 ARG 28 1HG ARG 28 -12.125 6.006 -0.243 221 HD2 ARG 28 2HD ARG 28 -13.219 8.049 0.547 222 HD3 ARG 28 1HD ARG 28 -13.296 7.906 -1.209 223 HH11 ARG 28 1HH1 ARG 28 -14.043 9.897 -0.122 224 HH12 ARG 28 2HH1 ARG 28 -15.518 10.800 -0.033 225 HH21 ARG 28 2HH2 ARG 28 -17.535 9.709 -0.035 226 HH22 ARG 28 1HH2 ARG 28 -17.587 7.981 -0.130 227 H TRP 29 HN TRP 29 -13.516 1.287 -1.446 228 HA TRP 29 HA TRP 29 -12.885 0.545 -3.822 229 HD1 TRP 29 HD1 TRP 29 -13.133 -1.070 -5.414 230 HE1 TRP 29 HE1 TRP 29 -14.165 -2.997 -6.781 231 HE3 TRP 29 HE3 TRP 29 -16.947 -2.362 -2.258 232 HZ2 TRP 29 HZ2 TRP 29 -16.308 -4.817 -6.551 233 HZ3 TRP 29 HZ3 TRP 29 -18.441 -4.206 -2.907 234 HH2 TRP 29 HH2 TRP 29 -18.127 -5.407 -5.010 235 HB2 TRP 29 2HB TRP 29 -13.797 -0.978 -2.200 236 HB3 TRP 29 1HB TRP 29 -15.403 -0.297 -2.444 237 H LYS 30 HN LYS 30 -13.063 2.142 -5.312 238 HA LYS 30 HA LYS 30 -14.949 3.671 -6.337 239 HB2 LYS 30 2HB LYS 30 -12.820 3.188 -7.504 240 HB3 LYS 30 1HB LYS 30 -13.518 1.703 -8.125 241 HG2 LYS 30 2HG LYS 30 -15.160 2.953 -9.377 242 HG3 LYS 30 1HG LYS 30 -14.572 4.467 -8.685 243 HD2 LYS 30 2HD LYS 30 -12.378 4.064 -9.738 244 HD3 LYS 30 1HD LYS 30 -13.019 2.591 -10.469 245 HE2 LYS 30 2HE LYS 30 -14.676 3.905 -11.686 246 HE3 LYS 30 1HE LYS 30 -14.076 5.380 -10.929 247 HZ1 LYS 30 3HZ LYS 30 -11.941 5.017 -12.009 248 HZ2 LYS 30 1HZ LYS 30 -13.186 5.111 -13.153 249 HZ3 LYS 30 2HZ LYS 30 -12.526 3.609 -12.741 250 H ASP 31 HN ASP 31 -15.147 0.165 -6.624 251 HA ASP 31 HA ASP 31 -17.852 0.446 -7.755 252 HB2 ASP 31 2HB ASP 31 -15.990 -1.941 -7.826 253 HB3 ASP 31 1HB ASP 31 -17.599 -1.878 -8.539 254 H GLY 32 HN GLY 32 -17.921 0.985 -5.208 255 HA2 GLY 32 2HA GLY 32 -19.150 -1.378 -4.005 256 HA3 GLY 32 1HA GLY 32 -17.818 -0.633 -3.126 257 H GLY 33 HN GLY 33 -19.341 -0.303 -1.406 258 HA2 GLY 33 2HA GLY 33 -20.708 2.262 -1.705 259 HA3 GLY 33 1HA GLY 33 -21.688 0.894 -1.202 260 H ASP 34 HN ASP 34 -18.397 0.972 -0.184 261 HA ASP 34 HA ASP 34 -19.014 2.246 2.355 262 HB2 ASP 34 2HB ASP 34 -18.078 -0.627 2.187 263 HB3 ASP 34 1HB ASP 34 -18.209 0.316 3.669 264 H CYS 35 HN CYS 35 -16.839 1.714 3.809 265 HA CYS 35 HA CYS 35 -14.474 2.025 2.130 266 HG CYS 35 HG CYS 35 -16.398 5.689 2.667 267 HB2 CYS 35 2HB CYS 35 -15.218 4.058 4.244 268 HB3 CYS 35 1HB CYS 35 -13.756 4.063 3.265 269 H GLU 36 HN GLU 36 -12.671 1.169 3.018 270 HA GLU 36 HA GLU 36 -12.514 0.700 5.880 271 HB2 GLU 36 2HB GLU 36 -12.422 -1.569 3.884 272 HB3 GLU 36 1HB GLU 36 -12.021 -1.709 5.590 273 HG2 GLU 36 2HG GLU 36 -14.318 -1.051 6.163 274 HG3 GLU 36 1HG GLU 36 -14.707 -0.983 4.444 275 H TRP 37 HN TRP 37 -10.351 -0.600 6.294 276 HA TRP 37 HA TRP 37 -8.281 0.858 4.831 277 HD1 TRP 37 HD1 TRP 37 -8.858 2.751 5.952 278 HE1 TRP 37 HE1 TRP 37 -9.594 4.313 7.860 279 HE3 TRP 37 HE3 TRP 37 -7.895 -0.316 9.923 280 HZ2 TRP 37 HZ2 TRP 37 -9.748 4.251 10.677 281 HZ3 TRP 37 HZ3 TRP 37 -8.364 0.512 12.193 282 HH2 TRP 37 HH2 TRP 37 -9.271 2.749 12.561 283 HB2 TRP 37 2HB TRP 37 -8.102 -0.703 7.416 284 HB3 TRP 37 1HB TRP 37 -6.827 0.283 6.713 285 H VAL 38 HN VAL 38 -6.467 -0.155 3.953 286 HA VAL 38 HA VAL 38 -6.902 -2.923 3.164 287 HB VAL 38 HB VAL 38 -4.747 -0.968 2.323 288 HG11 VAL 38 1HG1 VAL 38 -4.383 -2.689 0.494 289 HG12 VAL 38 2HG1 VAL 38 -5.321 -3.801 1.482 290 HG13 VAL 38 3HG1 VAL 38 -3.812 -3.130 2.100 291 HG21 VAL 38 3HG2 VAL 38 -7.237 -0.683 1.616 292 HG22 VAL 38 1HG2 VAL 38 -6.893 -2.042 0.547 293 HG23 VAL 38 2HG2 VAL 38 -5.962 -0.551 0.404 294 H LYS 39 HN LYS 39 -5.124 -4.479 3.293 295 HA LYS 39 HA LYS 39 -4.110 -4.593 5.917 296 HB2 LYS 39 2HB LYS 39 -4.725 -6.612 4.698 297 HB3 LYS 39 1HB LYS 39 -3.465 -6.298 3.512 298 HG2 LYS 39 2HG LYS 39 -1.755 -6.639 5.181 299 HG3 LYS 39 1HG LYS 39 -2.983 -6.842 6.433 300 HD2 LYS 39 2HD LYS 39 -3.825 -8.829 5.303 301 HD3 LYS 39 1HD LYS 39 -2.637 -8.615 4.016 302 HE2 LYS 39 2HE LYS 39 -0.828 -8.938 5.610 303 HE3 LYS 39 1HE LYS 39 -1.995 -9.091 6.924 304 HZ1 LYS 39 3HZ LYS 39 -1.786 -10.920 4.593 305 HZ2 LYS 39 1HZ LYS 39 -2.870 -11.077 5.883 306 HZ3 LYS 39 2HZ LYS 39 -1.208 -11.248 6.148 307 H GLY 40 HN GLY 40 -2.654 -3.204 6.556 308 HA2 GLY 40 2HA GLY 40 -0.394 -2.532 4.867 309 HA3 GLY 40 1HA GLY 40 -0.785 -1.802 6.414 310 H VAL 41 HN VAL 41 -0.480 -5.243 5.720 311 HA VAL 41 HA VAL 41 1.874 -5.326 7.488 312 HB VAL 41 HB VAL 41 0.157 -7.724 6.972 313 HG11 VAL 41 1HG1 VAL 41 1.902 -6.872 9.277 314 HG12 VAL 41 2HG1 VAL 41 2.295 -8.072 8.046 315 HG13 VAL 41 3HG1 VAL 41 0.990 -8.379 9.191 316 HG21 VAL 41 3HG2 VAL 41 -1.168 -7.213 8.967 317 HG22 VAL 41 1HG2 VAL 41 -1.397 -5.991 7.717 318 HG23 VAL 41 2HG2 VAL 41 -0.363 -5.649 9.104 319 H HIS 42 HN HIS 42 1.115 -5.364 4.340 320 HA HIS 42 HA HIS 42 2.413 -7.701 3.415 321 HD1 HIS 42 HD1 HIS 42 2.042 -7.285 -0.533 322 HD2 HIS 42 HD2 HIS 42 -0.398 -8.148 2.717 323 HE1 HIS 42 HE1 HIS 42 0.611 -9.221 -1.260 324 HE2 HIS 42 HE2 HIS 42 -0.889 -9.696 0.705 325 HB2 HIS 42 2HB HIS 42 1.010 -5.452 2.280 326 HB3 HIS 42 1HB HIS 42 2.489 -5.774 1.370 327 H VAL 43 HN VAL 43 4.180 -7.612 4.756 328 HA VAL 43 HA VAL 43 6.146 -5.672 4.817 329 HB VAL 43 HB VAL 43 6.568 -8.638 5.107 330 HG11 VAL 43 1HG1 VAL 43 8.662 -7.443 4.846 331 HG12 VAL 43 2HG1 VAL 43 8.480 -7.990 6.512 332 HG13 VAL 43 3HG1 VAL 43 8.191 -6.300 6.103 333 HG21 VAL 43 3HG2 VAL 43 5.789 -6.546 7.133 334 HG22 VAL 43 1HG2 VAL 43 6.296 -8.187 7.533 335 HG23 VAL 43 2HG2 VAL 43 4.825 -7.922 6.599 336 H ALA 44 HN ALA 44 6.138 -5.024 2.554 337 HA ALA 44 HA ALA 44 7.789 -6.662 0.817 338 HB1 ALA 44 3HB ALA 44 5.800 -5.499 -0.105 339 HB2 ALA 44 1HB ALA 44 7.301 -5.029 -0.901 340 HB3 ALA 44 2HB ALA 44 6.560 -3.956 0.285 341 H GLU 45 HN GLU 45 9.208 -6.190 2.896 342 HA GLU 45 HA GLU 45 10.557 -3.832 3.297 343 HB2 GLU 45 2HB GLU 45 10.825 -5.786 4.748 344 HB3 GLU 45 1HB GLU 45 11.668 -6.642 3.463 345 HG2 GLU 45 2HG GLU 45 13.457 -4.972 3.538 346 HG3 GLU 45 1HG GLU 45 12.619 -4.145 4.849 347 H ASP 46 HN ASP 46 10.761 -6.018 0.643 348 HA ASP 46 HA ASP 46 13.302 -5.213 -0.343 349 HB2 ASP 46 2HB ASP 46 10.918 -6.335 -1.834 350 HB3 ASP 46 1HB ASP 46 12.553 -6.210 -2.475 351 H VAL 47 HN VAL 47 9.982 -4.232 -1.162 352 HA VAL 47 HA VAL 47 10.604 -2.341 -3.129 353 HB VAL 47 HB VAL 47 8.310 -2.216 -1.180 354 HG11 VAL 47 1HG1 VAL 47 7.172 -1.081 -3.103 355 HG12 VAL 47 2HG1 VAL 47 8.742 -1.009 -3.906 356 HG13 VAL 47 3HG1 VAL 47 8.491 -0.168 -2.377 357 HG21 VAL 47 3HG2 VAL 47 8.416 -3.593 -3.865 358 HG22 VAL 47 1HG2 VAL 47 7.030 -3.513 -2.779 359 HG23 VAL 47 2HG2 VAL 47 8.468 -4.415 -2.309 360 H ALA 48 HN ALA 48 10.723 -2.165 0.286 361 HA ALA 48 HA ALA 48 11.016 0.695 0.547 362 HB1 ALA 48 3HB ALA 48 11.280 0.119 2.969 363 HB2 ALA 48 1HB ALA 48 10.977 -1.560 2.528 364 HB3 ALA 48 2HB ALA 48 9.737 -0.338 2.251 365 H LYS 49 HN LYS 49 12.848 -2.192 1.500 366 HA LYS 49 HA LYS 49 15.235 -0.945 2.147 367 HB2 LYS 49 2HB LYS 49 14.735 -3.313 2.651 368 HB3 LYS 49 1HB LYS 49 14.870 -3.697 0.940 369 HG2 LYS 49 2HG LYS 49 17.223 -3.009 0.982 370 HG3 LYS 49 1HG LYS 49 17.081 -2.665 2.707 371 HD2 LYS 49 2HD LYS 49 16.606 -5.361 1.435 372 HD3 LYS 49 1HD LYS 49 18.100 -4.872 2.235 373 HE2 LYS 49 2HE LYS 49 15.395 -4.919 3.563 374 HE3 LYS 49 1HE LYS 49 16.572 -6.226 3.663 375 HZ1 LYS 49 3HZ LYS 49 17.044 -3.437 4.571 376 HZ2 LYS 49 1HZ LYS 49 18.119 -4.734 4.726 377 HZ3 LYS 49 2HZ LYS 49 16.662 -4.737 5.584 378 H ASP 50 HN ASP 50 13.866 -1.845 -0.921 379 HA ASP 50 HA ASP 50 16.302 -1.106 -2.320 380 HB2 ASP 50 2HB ASP 50 15.414 -2.087 -4.229 381 HB3 ASP 50 1HB ASP 50 14.760 -3.088 -2.942 382 H TYR 51 HN TYR 51 13.217 0.196 -1.438 383 HA TYR 51 HA TYR 51 13.064 2.200 -3.375 384 HD1 TYR 51 HD1 TYR 51 11.823 3.495 -4.125 385 HD2 TYR 51 HD2 TYR 51 9.296 1.578 -1.290 386 HE1 TYR 51 HE1 TYR 51 9.931 3.697 -5.682 387 HE2 TYR 51 HE2 TYR 51 7.398 1.779 -2.836 388 HH TYR 51 HH TYR 51 6.702 3.124 -4.739 389 HB2 TYR 51 2HB TYR 51 11.668 1.589 -0.981 390 HB3 TYR 51 1HB TYR 51 11.927 3.302 -1.075 391 H GLU 52 HN GLU 52 13.848 2.446 0.027 392 HA GLU 52 HA GLU 52 15.185 4.967 -0.393 393 HB2 GLU 52 2HB GLU 52 15.191 5.194 2.021 394 HB3 GLU 52 1HB GLU 52 13.584 4.779 1.446 395 HG2 GLU 52 2HG GLU 52 14.003 2.430 2.075 396 HG3 GLU 52 1HG GLU 52 15.565 2.914 2.729 397 H ASP 53 HN ASP 53 15.893 1.838 1.084 398 HA ASP 53 HA ASP 53 18.668 2.457 1.449 399 HB2 ASP 53 2HB ASP 53 17.799 1.051 3.088 400 HB3 ASP 53 1HB ASP 53 16.916 0.074 1.926 401 H GLY 54 HN GLY 54 16.851 1.489 -1.224 402 HA2 GLY 54 2HA GLY 54 18.992 -0.072 -2.437 403 HA3 GLY 54 1HA GLY 54 17.418 0.262 -3.143 404 H LEU 55 HN LEU 55 17.471 3.092 -2.774 405 HA LEU 55 HA LEU 55 19.160 3.795 -5.021 406 HG LEU 55 HG LEU 55 16.106 3.660 -4.797 407 HB2 LEU 55 2HB LEU 55 17.184 5.437 -3.431 408 HB3 LEU 55 1HB LEU 55 18.022 5.991 -4.868 409 HD11 LEU 55 1HD1 LEU 55 15.702 6.483 -5.778 410 HD12 LEU 55 2HD1 LEU 55 14.941 5.749 -4.365 411 HD13 LEU 55 3HD1 LEU 55 14.566 5.149 -5.981 412 HD21 LEU 55 3HD2 LEU 55 17.396 5.105 -7.109 413 HD22 LEU 55 1HD2 LEU 55 16.214 3.801 -7.228 414 HD23 LEU 55 2HD2 LEU 55 17.808 3.487 -6.542 415 H GLU 56 HN GLU 56 18.568 5.319 -1.845 416 HA GLU 56 HA GLU 56 21.229 6.484 -1.922 417 HB2 GLU 56 2HB GLU 56 18.943 6.810 0.005 418 HB3 GLU 56 1HB GLU 56 20.495 7.606 0.200 419 HG2 GLU 56 2HG GLU 56 18.900 9.123 -0.776 420 HG3 GLU 56 1HG GLU 56 20.166 8.746 -1.942 421 H TYR 57 HN TYR 57 21.788 4.001 -1.837 422 HA TYR 57 HA TYR 57 21.781 2.854 0.803 423 HD1 TYR 57 HD1 TYR 57 21.487 -0.049 0.824 424 HD2 TYR 57 HD2 TYR 57 25.238 1.129 -0.800 425 HE1 TYR 57 HE1 TYR 57 22.592 -1.844 2.089 426 HE2 TYR 57 HE2 TYR 57 26.353 -0.665 0.460 427 HH TYR 57 HH TYR 57 24.669 -3.184 1.952 428 HB2 TYR 57 2HB TYR 57 21.632 1.408 -1.163 429 HB3 TYR 57 1HB TYR 57 23.197 1.984 -1.726 430 HA ALA 1 HA ALA 1 -16.379 -10.149 -1.948 431 H1 ALA 1 1H ALA 1 -15.286 -8.962 -4.000 432 H2 ALA 1 2H ALA 1 -16.114 -10.429 -4.139 433 H3 ALA 1 3H ALA 1 -14.425 -10.418 -4.082 434 HB1 ALA 1 3HB ALA 1 -14.865 -11.521 -0.730 435 HB2 ALA 1 1HB ALA 1 -13.576 -11.246 -1.902 436 HB3 ALA 1 2HB ALA 1 -14.996 -12.185 -2.358 437 HA PRO 2 HA PRO 2 -12.484 -7.446 -0.440 438 HB2 PRO 2 1HB PRO 2 -10.896 -6.549 -1.846 439 HB3 PRO 2 2HB PRO 2 -12.078 -6.168 -3.104 440 HG2 PRO 2 2HG PRO 2 -11.071 -8.045 -4.042 441 HG3 PRO 2 1HG PRO 2 -10.766 -8.781 -2.458 442 HD2 PRO 2 2HD PRO 2 -13.270 -8.730 -4.075 443 HD3 PRO 2 1HD PRO 2 -12.634 -10.001 -3.013 444 HA PRO 3 HA PRO 3 -16.053 -4.603 -0.576 445 HB2 PRO 3 1HB PRO 3 -16.936 -4.918 1.483 446 HB3 PRO 3 2HB PRO 3 -15.522 -4.192 2.249 447 HG2 PRO 3 2HG PRO 3 -15.159 -6.337 2.978 448 HG3 PRO 3 1HG PRO 3 -16.096 -7.043 1.649 449 HD2 PRO 3 2HD PRO 3 -13.247 -6.115 1.677 450 HD3 PRO 3 1HD PRO 3 -13.953 -7.562 0.924 451 H GLY 4 HN GLY 4 -13.207 -3.997 1.502 452 HA2 GLY 4 2HA GLY 4 -12.997 -1.333 0.261 453 HA3 GLY 4 1HA GLY 4 -12.941 -1.501 2.008 454 H THR 5 HN THR 5 -11.383 -2.947 -0.849 455 HA THR 5 HA THR 5 -8.777 -2.287 0.208 456 HB THR 5 HB THR 5 -7.923 -4.622 0.011 457 HG1 THR 5 HG1 THR 5 -9.233 -6.175 -0.604 458 HG21 THR 5 3HG2 THR 5 -8.836 -5.409 2.148 459 HG22 THR 5 1HG2 THR 5 -10.133 -4.221 2.030 460 HG23 THR 5 2HG2 THR 5 -8.461 -3.686 2.204 461 H ALA 6 HN ALA 6 -7.018 -3.222 -1.318 462 HA ALA 6 HA ALA 6 -7.689 -3.825 -4.004 463 HB1 ALA 6 3HB ALA 6 -7.897 -1.101 -3.369 464 HB2 ALA 6 1HB ALA 6 -7.909 -1.838 -4.971 465 HB3 ALA 6 2HB ALA 6 -6.393 -1.275 -4.272 466 H ARG 7 HN ARG 7 -5.408 -2.605 -5.241 467 HA ARG 7 HA ARG 7 -3.060 -3.209 -3.706 468 HE ARG 7 HE ARG 7 -4.820 -7.174 -4.973 469 HB2 ARG 7 2HB ARG 7 -2.269 -5.066 -5.093 470 HB3 ARG 7 1HB ARG 7 -3.769 -5.483 -4.274 471 HG2 ARG 7 2HG ARG 7 -5.015 -5.049 -6.330 472 HG3 ARG 7 1HG ARG 7 -3.512 -4.630 -7.152 473 HD2 ARG 7 2HD ARG 7 -4.164 -6.915 -7.670 474 HD3 ARG 7 1HD ARG 7 -2.662 -6.890 -6.745 475 HH11 ARG 7 1HH1 ARG 7 -3.147 -8.953 -7.458 476 HH12 ARG 7 2HH1 ARG 7 -3.509 -10.502 -6.772 477 HH21 ARG 7 2HH2 ARG 7 -4.735 -10.648 -4.843 478 HH22 ARG 7 1HH2 ARG 7 -5.301 -9.209 -4.062 479 H ARG 8 HN ARG 8 -1.509 -1.863 -4.391 480 HA ARG 8 HA ARG 8 -1.882 -0.370 -6.819 481 HE ARG 8 HE ARG 8 1.610 1.364 -7.126 482 HB2 ARG 8 2HB ARG 8 -0.558 0.064 -4.402 483 HB3 ARG 8 1HB ARG 8 0.727 -0.037 -5.598 484 HG2 ARG 8 2HG ARG 8 -1.622 1.842 -5.609 485 HG3 ARG 8 1HG ARG 8 0.076 2.248 -5.360 486 HD2 ARG 8 2HD ARG 8 -0.998 1.013 -7.888 487 HD3 ARG 8 1HD ARG 8 -0.820 2.749 -7.650 488 HH11 ARG 8 1HH1 ARG 8 -0.428 2.559 -9.685 489 HH12 ARG 8 2HH1 ARG 8 0.874 2.739 -10.813 490 HH21 ARG 8 2HH2 ARG 8 3.012 2.193 -10.198 491 HH22 ARG 8 1HH2 ARG 8 3.331 1.604 -8.601 492 H LYS 9 HN LYS 9 0.227 -2.984 -5.750 493 HA LYS 9 HA LYS 9 1.068 -3.324 -8.533 494 HB2 LYS 9 2HB LYS 9 2.974 -3.401 -6.180 495 HB3 LYS 9 1HB LYS 9 3.388 -3.756 -7.850 496 HG2 LYS 9 2HG LYS 9 2.940 -1.469 -8.490 497 HG3 LYS 9 1HG LYS 9 2.406 -1.091 -6.850 498 HD2 LYS 9 2HD LYS 9 4.647 -1.625 -6.007 499 HD3 LYS 9 1HD LYS 9 5.175 -1.989 -7.649 500 HE2 LYS 9 2HE LYS 9 4.739 0.311 -8.314 501 HE3 LYS 9 1HE LYS 9 4.156 0.684 -6.691 502 HZ1 LYS 9 3HZ LYS 9 6.433 1.410 -6.986 503 HZ2 LYS 9 1HZ LYS 9 6.916 -0.158 -7.399 504 HZ3 LYS 9 2HZ LYS 9 6.365 0.174 -5.835 505 H ARG 10 HN ARG 10 2.687 -5.499 -8.313 506 HA ARG 10 HA ARG 10 0.965 -7.647 -8.045 507 HE ARG 10 HE ARG 10 6.791 -7.128 -6.823 508 HB2 ARG 10 2HB ARG 10 3.004 -9.047 -7.965 509 HB3 ARG 10 1HB ARG 10 3.083 -7.825 -9.229 510 HG2 ARG 10 2HG ARG 10 4.614 -6.522 -8.035 511 HG3 ARG 10 1HG ARG 10 4.283 -7.366 -6.518 512 HD2 ARG 10 2HD ARG 10 5.303 -9.397 -7.437 513 HD3 ARG 10 1HD ARG 10 5.626 -8.552 -8.951 514 HH11 ARG 10 1HH1 ARG 10 7.167 -10.095 -8.609 515 HH12 ARG 10 2HH1 ARG 10 8.876 -10.195 -8.336 516 HH21 ARG 10 2HH2 ARG 10 9.941 -8.576 -7.115 517 HH22 ARG 10 1HH2 ARG 10 9.041 -7.250 -6.459 518 H LYS 11 HN LYS 11 2.730 -5.900 -5.647 519 HA LYS 11 HA LYS 11 2.608 -5.918 -3.383 520 HB2 LYS 11 2HB LYS 11 0.815 -8.336 -3.583 521 HB3 LYS 11 1HB LYS 11 1.025 -7.275 -2.200 522 HG2 LYS 11 2HG LYS 11 0.189 -5.434 -3.848 523 HG3 LYS 11 1HG LYS 11 -0.481 -6.814 -4.721 524 HD2 LYS 11 2HD LYS 11 -0.960 -6.216 -1.808 525 HD3 LYS 11 1HD LYS 11 -2.076 -5.810 -3.114 526 HE2 LYS 11 2HE LYS 11 -2.199 -8.214 -3.694 527 HE3 LYS 11 1HE LYS 11 -1.171 -8.572 -2.308 528 HZ1 LYS 11 3HZ LYS 11 -2.875 -7.592 -0.870 529 HZ2 LYS 11 1HZ LYS 11 -3.474 -8.909 -1.747 530 HZ3 LYS 11 2HZ LYS 11 -3.868 -7.332 -2.214 531 H ALA 12 HN ALA 12 4.765 -6.388 -3.244 532 HA ALA 12 HA ALA 12 5.616 -9.170 -3.257 533 HB1 ALA 12 3HB ALA 12 6.880 -7.184 -4.326 534 HB2 ALA 12 1HB ALA 12 7.800 -8.395 -3.431 535 HB3 ALA 12 2HB ALA 12 7.414 -6.847 -2.678 536 H ASP 13 HN ASP 13 4.516 -9.837 -1.316 537 HA ASP 13 HA ASP 13 5.665 -8.714 1.150 538 HB2 ASP 13 2HB ASP 13 3.703 -9.673 2.308 539 HB3 ASP 13 1HB ASP 13 3.239 -8.523 1.058 540 H SER 14 HN SER 14 7.445 -9.872 1.560 541 HA SER 14 HA SER 14 8.079 -12.437 0.891 542 HG SER 14 HG SER 14 9.775 -13.345 2.210 543 HB2 SER 14 2HB SER 14 9.682 -10.900 1.916 544 HB3 SER 14 1HB SER 14 8.827 -11.009 3.454 Start of MODEL 17 1 H1 GLY 1 1H GLY 1 9.039 4.742 -6.612 2 H2 GLY 1 2H GLY 1 9.173 4.158 -8.195 3 H3 GLY 1 3H GLY 1 9.580 5.763 -7.849 4 HA2 GLY 1 1HA GLY 1 11.022 3.328 -6.941 5 HA3 GLY 1 2HA GLY 1 11.583 4.503 -8.122 6 H SER 2 HN SER 2 10.112 4.845 -4.863 7 HA SER 2 HA SER 2 12.326 5.542 -3.418 8 HG SER 2 HG SER 2 13.111 8.343 -2.964 9 HB2 SER 2 2HB SER 2 12.983 7.290 -4.798 10 HB3 SER 2 1HB SER 2 11.331 7.861 -5.031 11 H GLN 3 HN GLN 3 8.946 5.662 -3.842 12 HA GLN 3 HA GLN 3 8.460 7.005 -1.344 13 HB2 GLN 3 2HB GLN 3 6.628 5.670 -3.302 14 HB3 GLN 3 1HB GLN 3 6.070 6.439 -1.828 15 HG2 GLN 3 2HG GLN 3 6.895 8.576 -2.598 16 HG3 GLN 3 1HG GLN 3 7.565 7.824 -4.043 17 HE21 GLN 3 2HE2 GLN 3 4.553 7.715 -5.791 18 HE22 GLN 3 1HE2 GLN 3 6.195 7.188 -5.694 19 H VAL 4 HN VAL 4 7.860 6.060 0.549 20 HA VAL 4 HA VAL 4 8.409 3.202 0.715 21 HB VAL 4 HB VAL 4 9.630 4.857 2.173 22 HG11 VAL 4 1HG1 VAL 4 7.511 6.209 2.606 23 HG12 VAL 4 2HG1 VAL 4 8.598 5.941 3.966 24 HG13 VAL 4 3HG1 VAL 4 7.124 4.987 3.817 25 HG21 VAL 4 3HG2 VAL 4 8.084 2.585 3.347 26 HG22 VAL 4 1HG2 VAL 4 9.273 3.481 4.284 27 HG23 VAL 4 2HG2 VAL 4 9.762 2.617 2.827 28 H PHE 5 HN PHE 5 5.993 3.797 -0.449 29 HA PHE 5 HA PHE 5 4.188 2.309 1.109 30 1HB PHE 5 2HB PHE 5 2.513 4.273 1.393 31 2HB PHE 5 1HB PHE 5 3.833 4.120 2.545 32 HD1 PHE 5 HD1 PHE 5 3.776 4.575 2.985 33 HD2 PHE 5 HD2 PHE 5 4.569 6.932 -0.466 34 HE1 PHE 5 HE1 PHE 5 6.064 4.979 3.793 35 HE2 PHE 5 HE2 PHE 5 6.859 7.340 0.333 36 HZ PHE 5 HZ PHE 5 5.158 9.323 0.393 37 H GLU 6 HN GLU 6 2.208 1.913 0.012 38 HA GLU 6 HA GLU 6 1.906 3.082 -2.665 39 HB2 GLU 6 2HB GLU 6 2.296 0.240 -1.936 40 HB3 GLU 6 1HB GLU 6 1.055 0.573 -3.136 41 HG2 GLU 6 2HG GLU 6 3.271 0.077 -4.104 42 HG3 GLU 6 1HG GLU 6 2.617 1.647 -4.568 43 H TYR 7 HN TYR 7 -0.227 3.315 -3.391 44 HA TYR 7 HA TYR 7 -2.180 3.084 -1.296 45 HD1 TYR 7 HD1 TYR 7 -4.520 3.745 -4.738 46 HD2 TYR 7 HD2 TYR 7 -0.473 5.046 -4.551 47 HE1 TYR 7 HE1 TYR 7 -4.434 3.813 -7.194 48 HE2 TYR 7 HE2 TYR 7 -0.377 5.118 -7.007 49 HH TYR 7 HH TYR 7 -1.539 4.091 -8.926 50 HB2 TYR 7 2HB TYR 7 -3.584 4.478 -2.665 51 HB3 TYR 7 1HB TYR 7 -1.976 5.177 -2.584 52 H ALA 8 HN ALA 8 -3.050 1.168 -1.034 53 HA ALA 8 HA ALA 8 -3.707 -0.488 -3.352 54 HB1 ALA 8 3HB ALA 8 -2.942 -1.960 -1.791 55 HB2 ALA 8 1HB ALA 8 -4.624 -1.931 -1.270 56 HB3 ALA 8 2HB ALA 8 -3.428 -0.950 -0.429 57 H GLU 9 HN GLU 9 -5.136 1.696 -3.609 58 HA GLU 9 HA GLU 9 -7.779 1.145 -2.501 59 HB2 GLU 9 2HB GLU 9 -7.559 3.211 -1.708 60 HB3 GLU 9 1HB GLU 9 -6.140 3.506 -2.685 61 HG2 GLU 9 2HG GLU 9 -8.957 3.806 -3.657 62 HG3 GLU 9 1HG GLU 9 -7.982 5.112 -3.017 63 H VAL 10 HN VAL 10 -9.588 1.653 -3.691 64 HA VAL 10 HA VAL 10 -9.268 0.986 -6.472 65 HB VAL 10 HB VAL 10 -11.708 0.984 -4.777 66 HG11 VAL 10 1HG1 VAL 10 -11.661 -0.554 -7.280 67 HG12 VAL 10 2HG1 VAL 10 -11.657 1.196 -7.482 68 HG13 VAL 10 3HG1 VAL 10 -12.955 0.417 -6.582 69 HG21 VAL 10 3HG2 VAL 10 -10.239 -0.707 -4.005 70 HG22 VAL 10 1HG2 VAL 10 -9.850 -1.204 -5.652 71 HG23 VAL 10 2HG2 VAL 10 -11.455 -1.513 -4.994 72 H ASP 11 HN ASP 11 -10.597 3.430 -4.385 73 HA ASP 11 HA ASP 11 -10.632 5.263 -6.670 74 HB2 ASP 11 2HB ASP 11 -12.948 4.475 -6.220 75 HB3 ASP 11 1HB ASP 11 -12.822 5.130 -4.594 76 H GLU 12 HN GLU 12 -10.495 4.866 -3.146 77 HA GLU 12 HA GLU 12 -8.908 7.266 -2.928 78 HB2 GLU 12 2HB GLU 12 -11.693 7.180 -1.784 79 HB3 GLU 12 1HB GLU 12 -10.462 8.294 -1.205 80 HG2 GLU 12 2HG GLU 12 -10.283 9.261 -3.443 81 HG3 GLU 12 1HG GLU 12 -11.522 8.146 -4.019 82 H ILE 13 HN ILE 13 -8.013 7.627 -0.797 83 HA ILE 13 HA ILE 13 -8.248 5.309 1.005 84 HB ILE 13 HB ILE 13 -5.871 5.171 1.346 85 HG12 ILE 13 2HG1 ILE 13 -5.460 7.656 1.275 86 HG13 ILE 13 1HG1 ILE 13 -4.273 6.729 0.366 87 HG21 ILE 13 1HG2 ILE 13 -5.174 5.268 -1.283 88 HG22 ILE 13 2HG2 ILE 13 -6.928 5.147 -1.382 89 HG23 ILE 13 3HG2 ILE 13 -6.007 3.925 -0.507 90 HD11 ILE 13 3HD1 ILE 13 -6.359 8.595 -0.592 91 HD12 ILE 13 1HD1 ILE 13 -5.940 7.223 -1.622 92 HD13 ILE 13 2HD1 ILE 13 -4.695 8.375 -1.134 93 H VAL 14 HN VAL 14 -6.585 6.121 3.011 94 HA VAL 14 HA VAL 14 -7.165 8.875 3.705 95 HB VAL 14 HB VAL 14 -8.222 6.585 5.373 96 HG11 VAL 14 1HG1 VAL 14 -7.226 8.304 6.797 97 HG12 VAL 14 2HG1 VAL 14 -8.984 8.294 6.950 98 HG13 VAL 14 3HG1 VAL 14 -8.189 9.541 5.988 99 HG21 VAL 14 3HG2 VAL 14 -9.620 8.863 3.973 100 HG22 VAL 14 1HG2 VAL 14 -10.397 7.679 5.024 101 HG23 VAL 14 2HG2 VAL 14 -9.664 7.164 3.505 102 H GLU 15 HN GLU 15 -5.969 5.765 4.908 103 HA GLU 15 HA GLU 15 -3.821 7.159 6.340 104 HB2 GLU 15 2HB GLU 15 -5.046 5.503 7.639 105 HB3 GLU 15 1HB GLU 15 -4.727 4.274 6.422 106 HG2 GLU 15 2HG GLU 15 -3.278 3.991 8.343 107 HG3 GLU 15 1HG GLU 15 -2.342 4.402 6.906 108 H LYS 16 HN LYS 16 -1.669 6.916 5.769 109 HA LYS 16 HA LYS 16 -0.972 4.955 3.735 110 HB2 LYS 16 2HB LYS 16 0.138 6.797 2.370 111 HB3 LYS 16 1HB LYS 16 -1.616 6.705 2.291 112 HG2 LYS 16 2HG LYS 16 -1.832 8.561 3.801 113 HG3 LYS 16 1HG LYS 16 -0.087 8.597 4.065 114 HD2 LYS 16 2HD LYS 16 -1.413 9.036 1.392 115 HD3 LYS 16 1HD LYS 16 -0.911 10.333 2.478 116 HE2 LYS 16 2HE LYS 16 0.920 8.230 1.332 117 HE3 LYS 16 1HE LYS 16 0.738 9.863 0.695 118 HZ1 LYS 16 3HZ LYS 16 1.519 10.732 2.812 119 HZ2 LYS 16 1HZ LYS 16 2.665 9.690 2.133 120 HZ3 LYS 16 2HZ LYS 16 1.698 9.163 3.416 121 H ARG 17 HN ARG 17 0.462 4.079 5.364 122 HA ARG 17 HA ARG 17 3.010 5.451 5.501 123 HE ARG 17 HE ARG 17 5.454 5.904 9.828 124 HB2 ARG 17 2HB ARG 17 1.792 6.387 7.436 125 HB3 ARG 17 1HB ARG 17 1.538 4.760 8.050 126 HG2 ARG 17 2HG ARG 17 3.933 4.465 8.324 127 HG3 ARG 17 1HG ARG 17 4.220 6.070 7.650 128 HD2 ARG 17 2HD ARG 17 2.918 7.045 9.506 129 HD3 ARG 17 1HD ARG 17 2.724 5.431 10.190 130 HH11 ARG 17 1HH1 ARG 17 2.799 7.077 11.751 131 HH12 ARG 17 2HH1 ARG 17 3.801 7.531 13.090 132 HH21 ARG 17 2HH2 ARG 17 6.066 7.200 12.996 133 HH22 ARG 17 1HH2 ARG 17 6.782 6.498 11.585 134 H GLY 18 HN GLY 18 3.915 3.644 4.399 135 HA2 GLY 18 2HA GLY 18 4.285 1.336 6.135 136 HA3 GLY 18 1HA GLY 18 3.456 1.031 4.632 137 H LYS 19 HN LYS 19 4.733 -0.058 3.404 138 HA LYS 19 HA LYS 19 7.505 0.819 2.962 139 HB2 LYS 19 2HB LYS 19 6.254 -1.900 3.173 140 HB3 LYS 19 1HB LYS 19 7.900 -1.651 2.591 141 HG2 LYS 19 2HG LYS 19 8.538 -0.688 4.719 142 HG3 LYS 19 1HG LYS 19 6.880 -0.848 5.307 143 HD2 LYS 19 2HD LYS 19 7.030 -3.269 5.022 144 HD3 LYS 19 1HD LYS 19 8.695 -3.097 4.472 145 HE2 LYS 19 2HE LYS 19 7.644 -2.288 7.181 146 HE3 LYS 19 1HE LYS 19 8.570 -3.748 6.840 147 HZ1 LYS 19 3HZ LYS 19 9.537 -0.965 6.461 148 HZ2 LYS 19 1HZ LYS 19 10.427 -2.370 6.150 149 HZ3 LYS 19 2HZ LYS 19 9.970 -1.992 7.733 150 H GLY 20 HN GLY 20 6.885 -1.773 1.008 151 HA2 GLY 20 2HA GLY 20 6.394 -0.067 -1.282 152 HA3 GLY 20 1HA GLY 20 6.871 -1.765 -1.311 153 H LYS 21 HN LYS 21 5.177 -2.784 0.460 154 HA LYS 21 HA LYS 21 2.462 -2.147 -0.375 155 HB2 LYS 21 2HB LYS 21 3.743 -4.866 -0.634 156 HB3 LYS 21 1HB LYS 21 2.008 -4.590 -0.735 157 HG2 LYS 21 2HG LYS 21 2.442 -4.463 -2.943 158 HG3 LYS 21 1HG LYS 21 2.862 -2.798 -2.543 159 HD2 LYS 21 2HD LYS 21 5.213 -3.456 -2.301 160 HD3 LYS 21 1HD LYS 21 4.788 -5.114 -2.727 161 HE2 LYS 21 2HE LYS 21 5.716 -3.881 -4.636 162 HE3 LYS 21 1HE LYS 21 4.052 -4.389 -4.921 163 HZ1 LYS 21 3HZ LYS 21 4.878 -1.671 -4.052 164 HZ2 LYS 21 1HZ LYS 21 3.300 -2.169 -4.409 165 HZ3 LYS 21 2HZ LYS 21 4.464 -2.101 -5.635 166 H ASP 22 HN ASP 22 4.449 -2.436 2.168 167 HA ASP 22 HA ASP 22 2.813 -4.013 3.900 168 HB2 ASP 22 2HB ASP 22 5.317 -3.932 4.115 169 HB3 ASP 22 1HB ASP 22 5.124 -2.273 4.615 170 H VAL 23 HN VAL 23 2.308 -1.191 2.642 171 HA VAL 23 HA VAL 23 1.711 0.344 4.986 172 HB VAL 23 HB VAL 23 2.653 1.303 2.891 173 HG11 VAL 23 1HG1 VAL 23 0.774 1.855 1.191 174 HG12 VAL 23 2HG1 VAL 23 -0.016 0.432 1.837 175 HG13 VAL 23 3HG1 VAL 23 1.582 0.301 1.108 176 HG21 VAL 23 3HG2 VAL 23 1.149 2.440 4.718 177 HG22 VAL 23 1HG2 VAL 23 0.034 2.636 3.373 178 HG23 VAL 23 2HG2 VAL 23 1.655 3.327 3.282 179 H GLU 24 HN GLU 24 -0.343 1.156 5.459 180 HA GLU 24 HA GLU 24 -2.499 -0.640 4.590 181 HB2 GLU 24 2HB GLU 24 -3.644 0.169 6.719 182 HB3 GLU 24 1HB GLU 24 -2.282 -0.924 6.908 183 HG2 GLU 24 2HG GLU 24 -0.833 0.963 7.439 184 HG3 GLU 24 1HG GLU 24 -2.188 2.069 7.225 185 H TYR 25 HN TYR 25 -3.396 0.413 2.922 186 HA TYR 25 HA TYR 25 -4.050 3.249 3.202 187 HD1 TYR 25 HD1 TYR 25 -3.843 4.905 0.086 188 HD2 TYR 25 HD2 TYR 25 -1.195 2.157 1.933 189 HE1 TYR 25 HE1 TYR 25 -1.986 6.490 -0.210 190 HE2 TYR 25 HE2 TYR 25 0.668 3.727 1.650 191 HH TYR 25 HH TYR 25 0.187 6.984 0.767 192 HB2 TYR 25 2HB TYR 25 -3.467 1.472 0.894 193 HB3 TYR 25 1HB TYR 25 -4.624 2.774 0.640 194 H LEU 26 HN LEU 26 -6.186 3.944 2.722 195 HA LEU 26 HA LEU 26 -8.225 1.962 3.282 196 HG LEU 26 HG LEU 26 -10.562 3.193 3.104 197 HB2 LEU 26 2HB LEU 26 -8.463 3.961 4.551 198 HB3 LEU 26 1HB LEU 26 -8.191 4.970 3.147 199 HD11 LEU 26 1HD1 LEU 26 -10.895 3.990 5.273 200 HD12 LEU 26 2HD1 LEU 26 -11.843 5.069 4.248 201 HD13 LEU 26 3HD1 LEU 26 -10.279 5.590 4.872 202 HD21 LEU 26 3HD2 LEU 26 -11.501 5.319 2.061 203 HD22 LEU 26 1HD2 LEU 26 -10.274 4.431 1.155 204 HD23 LEU 26 2HD2 LEU 26 -9.833 5.892 2.042 205 H VAL 27 HN VAL 27 -10.144 1.818 1.892 206 HA VAL 27 HA VAL 27 -9.722 2.933 -0.743 207 HB VAL 27 HB VAL 27 -9.290 1.175 -1.861 208 HG11 VAL 27 1HG1 VAL 27 -8.837 -0.108 0.805 209 HG12 VAL 27 2HG1 VAL 27 -7.687 0.851 -0.126 210 HG13 VAL 27 3HG1 VAL 27 -8.217 -0.718 -0.728 211 HG21 VAL 27 3HG2 VAL 27 -11.490 0.251 -1.904 212 HG22 VAL 27 1HG2 VAL 27 -11.285 -0.427 -0.290 213 HG23 VAL 27 2HG2 VAL 27 -10.353 -1.069 -1.641 214 H ARG 28 HN ARG 28 -11.411 4.073 -1.123 215 HA ARG 28 HA ARG 28 -14.057 3.177 -0.353 216 HE ARG 28 HE ARG 28 -12.542 7.700 1.625 217 HB2 ARG 28 2HB ARG 28 -13.416 5.465 -2.183 218 HB3 ARG 28 1HB ARG 28 -14.841 5.263 -1.179 219 HG2 ARG 28 2HG ARG 28 -13.347 5.508 0.825 220 HG3 ARG 28 1HG ARG 28 -12.055 5.965 -0.287 221 HD2 ARG 28 2HD ARG 28 -13.374 7.847 -1.078 222 HD3 ARG 28 1HD ARG 28 -14.715 7.367 -0.041 223 HH11 ARG 28 1HH1 ARG 28 -14.370 9.670 -0.588 224 HH12 ARG 28 2HH1 ARG 28 -14.097 11.138 0.290 225 HH21 ARG 28 2HH2 ARG 28 -12.853 11.112 2.213 226 HH22 ARG 28 1HH2 ARG 28 -12.179 9.625 2.791 227 H TRP 29 HN TRP 29 -13.769 1.230 -1.457 228 HA TRP 29 HA TRP 29 -13.155 0.423 -3.850 229 HD1 TRP 29 HD1 TRP 29 -13.252 -0.979 -5.310 230 HE1 TRP 29 HE1 TRP 29 -13.453 -3.375 -6.228 231 HE3 TRP 29 HE3 TRP 29 -16.678 -2.841 -1.997 232 HZ2 TRP 29 HZ2 TRP 29 -14.875 -5.737 -5.632 233 HZ3 TRP 29 HZ3 TRP 29 -17.405 -5.179 -2.245 234 HH2 TRP 29 HH2 TRP 29 -16.522 -6.596 -4.025 235 HB2 TRP 29 2HB TRP 29 -14.609 -0.666 -1.996 236 HB3 TRP 29 1HB TRP 29 -15.958 -0.195 -3.018 237 H LYS 30 HN LYS 30 -13.092 2.090 -5.316 238 HA LYS 30 HA LYS 30 -14.774 3.813 -6.380 239 HB2 LYS 30 2HB LYS 30 -12.635 3.046 -7.451 240 HB3 LYS 30 1HB LYS 30 -13.542 1.736 -8.192 241 HG2 LYS 30 2HG LYS 30 -14.914 3.317 -9.401 242 HG3 LYS 30 1HG LYS 30 -14.105 4.665 -8.603 243 HD2 LYS 30 2HD LYS 30 -11.990 4.016 -9.643 244 HD3 LYS 30 1HD LYS 30 -12.791 2.652 -10.428 245 HE2 LYS 30 2HE LYS 30 -12.510 4.572 -11.942 246 HE3 LYS 30 1HE LYS 30 -14.206 4.162 -11.683 247 HZ1 LYS 30 3HZ LYS 30 -12.740 6.349 -10.306 248 HZ2 LYS 30 1HZ LYS 30 -14.376 5.969 -10.103 249 HZ3 LYS 30 2HZ LYS 30 -13.823 6.554 -11.590 250 H ASP 31 HN ASP 31 -15.319 0.347 -6.695 251 HA ASP 31 HA ASP 31 -18.004 0.925 -7.767 252 HB2 ASP 31 2HB ASP 31 -16.575 -0.287 -9.383 253 HB3 ASP 31 1HB ASP 31 -16.337 -1.567 -8.196 254 H GLY 32 HN GLY 32 -17.934 1.170 -5.182 255 HA2 GLY 32 2HA GLY 32 -19.158 -1.298 -4.164 256 HA3 GLY 32 1HA GLY 32 -17.851 -0.557 -3.243 257 H GLY 33 HN GLY 33 -18.934 0.044 -1.446 258 HA2 GLY 33 2HA GLY 33 -20.766 2.295 -1.745 259 HA3 GLY 33 1HA GLY 33 -21.396 0.876 -0.922 260 H ASP 34 HN ASP 34 -19.198 0.075 0.546 261 HA ASP 34 HA ASP 34 -19.092 2.206 2.542 262 HB2 ASP 34 2HB ASP 34 -18.273 -0.702 2.733 263 HB3 ASP 34 1HB ASP 34 -18.282 0.446 4.067 264 H CYS 35 HN CYS 35 -16.853 1.792 3.917 265 HA CYS 35 HA CYS 35 -14.595 1.762 2.066 266 HG CYS 35 HG CYS 35 -16.624 5.238 2.225 267 HB2 CYS 35 2HB CYS 35 -15.135 4.065 3.953 268 HB3 CYS 35 1HB CYS 35 -13.716 3.882 2.928 269 H GLU 36 HN GLU 36 -12.954 0.639 2.899 270 HA GLU 36 HA GLU 36 -12.670 0.509 5.822 271 HB2 GLU 36 2HB GLU 36 -12.495 -1.833 3.920 272 HB3 GLU 36 1HB GLU 36 -12.080 -1.891 5.626 273 HG2 GLU 36 2HG GLU 36 -14.364 -1.377 6.231 274 HG3 GLU 36 1HG GLU 36 -14.800 -1.219 4.530 275 H TRP 37 HN TRP 37 -10.456 -0.777 6.252 276 HA TRP 37 HA TRP 37 -8.432 0.757 4.795 277 HD1 TRP 37 HD1 TRP 37 -9.043 2.664 5.836 278 HE1 TRP 37 HE1 TRP 37 -9.853 4.263 7.683 279 HE3 TRP 37 HE3 TRP 37 -8.102 -0.267 9.917 280 HZ2 TRP 37 HZ2 TRP 37 -10.063 4.280 10.499 281 HZ3 TRP 37 HZ3 TRP 37 -8.634 0.614 12.151 282 HH2 TRP 37 HH2 TRP 37 -9.595 2.842 12.436 283 HB2 TRP 37 2HB TRP 37 -8.243 -0.727 7.423 284 HB3 TRP 37 1HB TRP 37 -6.978 0.265 6.713 285 H VAL 38 HN VAL 38 -6.522 -0.180 4.038 286 HA VAL 38 HA VAL 38 -6.789 -2.960 3.213 287 HB VAL 38 HB VAL 38 -4.781 -0.828 2.474 288 HG11 VAL 38 1HG1 VAL 38 -3.630 -2.936 2.382 289 HG12 VAL 38 2HG1 VAL 38 -4.003 -2.423 0.741 290 HG13 VAL 38 3HG1 VAL 38 -4.972 -3.677 1.509 291 HG21 VAL 38 3HG2 VAL 38 -5.887 -0.691 0.405 292 HG22 VAL 38 1HG2 VAL 38 -7.163 -0.707 1.621 293 HG23 VAL 38 2HG2 VAL 38 -6.798 -2.170 0.707 294 H LYS 39 HN LYS 39 -4.861 -4.401 3.382 295 HA LYS 39 HA LYS 39 -3.949 -4.366 6.083 296 HB2 LYS 39 2HB LYS 39 -4.627 -6.455 4.961 297 HB3 LYS 39 1HB LYS 39 -3.262 -6.290 3.867 298 HG2 LYS 39 2HG LYS 39 -1.715 -6.523 5.723 299 HG3 LYS 39 1HG LYS 39 -3.068 -6.627 6.853 300 HD2 LYS 39 2HD LYS 39 -3.844 -8.660 5.700 301 HD3 LYS 39 1HD LYS 39 -2.449 -8.565 4.623 302 HE2 LYS 39 2HE LYS 39 -0.952 -8.795 6.542 303 HE3 LYS 39 1HE LYS 39 -2.343 -8.878 7.622 304 HZ1 LYS 39 3HZ LYS 39 -1.693 -10.826 5.475 305 HZ2 LYS 39 1HZ LYS 39 -3.043 -10.903 6.491 306 HZ3 LYS 39 2HZ LYS 39 -1.489 -11.076 7.135 307 H GLY 40 HN GLY 40 -2.467 -2.979 6.633 308 HA2 GLY 40 2HA GLY 40 -0.176 -2.516 4.911 309 HA3 GLY 40 1HA GLY 40 -0.562 -1.628 6.378 310 H VAL 41 HN VAL 41 -0.215 -5.090 5.803 311 HA VAL 41 HA VAL 41 2.028 -5.121 7.716 312 HB VAL 41 HB VAL 41 0.422 -7.577 7.181 313 HG11 VAL 41 1HG1 VAL 41 2.455 -7.758 8.480 314 HG12 VAL 41 2HG1 VAL 41 1.053 -8.089 9.497 315 HG13 VAL 41 3HG1 VAL 41 1.873 -6.531 9.605 316 HG21 VAL 41 3HG2 VAL 41 -1.119 -7.040 9.015 317 HG22 VAL 41 1HG2 VAL 41 -1.286 -5.904 7.676 318 HG23 VAL 41 2HG2 VAL 41 -0.412 -5.428 9.131 319 H HIS 42 HN HIS 42 1.328 -5.310 4.517 320 HA HIS 42 HA HIS 42 2.802 -7.633 3.794 321 HD1 HIS 42 HD1 HIS 42 -0.555 -7.433 1.996 322 HD2 HIS 42 HD2 HIS 42 3.248 -8.650 0.849 323 HE1 HIS 42 HE1 HIS 42 -0.880 -9.628 0.815 324 HE2 HIS 42 HE2 HIS 42 1.427 -10.314 0.072 325 HB2 HIS 42 2HB HIS 42 1.148 -5.716 2.490 326 HB3 HIS 42 1HB HIS 42 2.672 -5.845 1.606 327 H VAL 43 HN VAL 43 4.531 -7.293 5.114 328 HA VAL 43 HA VAL 43 6.361 -5.228 5.002 329 HB VAL 43 HB VAL 43 6.958 -8.125 5.552 330 HG11 VAL 43 1HG1 VAL 43 8.427 -5.636 6.416 331 HG12 VAL 43 2HG1 VAL 43 8.964 -6.763 5.172 332 HG13 VAL 43 3HG1 VAL 43 8.840 -7.295 6.849 333 HG21 VAL 43 3HG2 VAL 43 6.062 -5.912 7.395 334 HG22 VAL 43 1HG2 VAL 43 6.627 -7.497 7.921 335 HG23 VAL 43 2HG2 VAL 43 5.155 -7.361 6.961 336 H ALA 44 HN ALA 44 6.360 -4.758 2.715 337 HA ALA 44 HA ALA 44 8.073 -6.460 1.099 338 HB1 ALA 44 3HB ALA 44 7.257 -5.361 -0.731 339 HB2 ALA 44 1HB ALA 44 7.126 -3.820 0.115 340 HB3 ALA 44 2HB ALA 44 5.917 -5.076 0.373 341 H GLU 45 HN GLU 45 9.431 -5.682 3.199 342 HA GLU 45 HA GLU 45 10.670 -3.242 3.345 343 HB2 GLU 45 2HB GLU 45 12.467 -4.319 4.528 344 HB3 GLU 45 1HB GLU 45 10.969 -5.131 4.958 345 HG2 GLU 45 2HG GLU 45 12.958 -6.122 2.928 346 HG3 GLU 45 1HG GLU 45 12.827 -6.691 4.592 347 H ASP 46 HN ASP 46 11.121 -5.768 1.043 348 HA ASP 46 HA ASP 46 13.590 -4.705 -0.036 349 HB2 ASP 46 2HB ASP 46 12.950 -7.117 -0.186 350 HB3 ASP 46 1HB ASP 46 11.652 -6.662 -1.284 351 H VAL 47 HN VAL 47 10.168 -4.678 -0.918 352 HA VAL 47 HA VAL 47 10.495 -3.198 -3.299 353 HB VAL 47 HB VAL 47 8.107 -3.243 -1.459 354 HG11 VAL 47 1HG1 VAL 47 8.334 -2.594 -4.400 355 HG12 VAL 47 2HG1 VAL 47 8.022 -1.444 -3.099 356 HG13 VAL 47 3HG1 VAL 47 6.829 -2.687 -3.484 357 HG21 VAL 47 3HG2 VAL 47 8.817 -5.507 -2.120 358 HG22 VAL 47 1HG2 VAL 47 8.731 -5.030 -3.816 359 HG23 VAL 47 2HG2 VAL 47 7.265 -5.071 -2.836 360 H ALA 48 HN ALA 48 10.364 -2.338 0.035 361 HA ALA 48 HA ALA 48 10.059 0.524 -0.431 362 HB1 ALA 48 3HB ALA 48 8.749 -0.428 1.350 363 HB2 ALA 48 1HB ALA 48 9.957 0.665 2.024 364 HB3 ALA 48 2HB ALA 48 10.197 -1.080 2.116 365 H LYS 49 HN LYS 49 12.342 -1.590 1.380 366 HA LYS 49 HA LYS 49 14.202 0.369 2.031 367 HB2 LYS 49 2HB LYS 49 14.296 -1.896 2.952 368 HB3 LYS 49 1HB LYS 49 14.735 -2.534 1.375 369 HG2 LYS 49 2HG LYS 49 16.826 -1.281 1.439 370 HG3 LYS 49 1HG LYS 49 16.383 -0.619 3.013 371 HD2 LYS 49 2HD LYS 49 17.921 -2.487 3.275 372 HD3 LYS 49 1HD LYS 49 16.339 -2.889 3.945 373 HE2 LYS 49 2HE LYS 49 15.785 -4.135 1.927 374 HE3 LYS 49 1HE LYS 49 17.340 -3.702 1.218 375 HZ1 LYS 49 3HZ LYS 49 16.956 -5.331 3.672 376 HZ2 LYS 49 1HZ LYS 49 18.446 -4.921 2.983 377 HZ3 LYS 49 2HZ LYS 49 17.377 -5.930 2.148 378 H ASP 50 HN ASP 50 14.007 -1.624 -0.864 379 HA ASP 50 HA ASP 50 16.299 -0.357 -2.061 380 HB2 ASP 50 2HB ASP 50 16.025 -2.621 -2.679 381 HB3 ASP 50 1HB ASP 50 14.310 -2.419 -2.995 382 H TYR 51 HN TYR 51 12.921 0.152 -1.834 383 HA TYR 51 HA TYR 51 12.372 1.604 -4.117 384 HD1 TYR 51 HD1 TYR 51 11.039 2.658 -4.952 385 HD2 TYR 51 HD2 TYR 51 8.535 0.972 -1.948 386 HE1 TYR 51 HE1 TYR 51 9.114 2.815 -6.466 387 HE2 TYR 51 HE2 TYR 51 6.614 1.134 -3.457 388 HH TYR 51 HH TYR 51 5.915 2.448 -5.423 389 HB2 TYR 51 2HB TYR 51 11.061 0.744 -1.917 390 HB3 TYR 51 1HB TYR 51 11.035 2.449 -1.647 391 H GLU 52 HN GLU 52 12.763 2.778 -0.821 392 HA GLU 52 HA GLU 52 13.332 5.426 -1.778 393 HB2 GLU 52 2HB GLU 52 13.090 6.155 0.492 394 HB3 GLU 52 1HB GLU 52 11.789 5.032 0.126 395 HG2 GLU 52 2HG GLU 52 13.038 3.247 1.265 396 HG3 GLU 52 1HG GLU 52 14.296 4.412 1.672 397 H ASP 53 HN ASP 53 14.911 2.997 0.243 398 HA ASP 53 HA ASP 53 17.337 4.504 0.490 399 HB2 ASP 53 2HB ASP 53 16.161 2.175 1.670 400 HB3 ASP 53 1HB ASP 53 17.800 1.791 1.144 401 H GLY 54 HN GLY 54 16.305 1.675 -1.391 402 HA2 GLY 54 2HA GLY 54 18.706 0.897 -2.499 403 HA3 GLY 54 1HA GLY 54 17.167 0.793 -3.337 404 H LEU 55 HN LEU 55 16.471 3.324 -3.843 405 HA LEU 55 HA LEU 55 18.218 4.038 -5.968 406 HG LEU 55 HG LEU 55 17.214 7.055 -6.150 407 HB2 LEU 55 2HB LEU 55 15.805 4.382 -6.105 408 HB3 LEU 55 1HB LEU 55 15.876 5.525 -4.777 409 HD11 LEU 55 1HD1 LEU 55 17.559 6.615 -8.520 410 HD12 LEU 55 2HD1 LEU 55 16.822 5.022 -8.342 411 HD13 LEU 55 3HD1 LEU 55 18.345 5.384 -7.529 412 HD21 LEU 55 3HD2 LEU 55 15.467 7.686 -7.741 413 HD22 LEU 55 1HD2 LEU 55 14.788 7.273 -6.167 414 HD23 LEU 55 2HD2 LEU 55 14.683 6.125 -7.501 415 H GLU 56 HN GLU 56 17.109 6.100 -3.280 416 HA GLU 56 HA GLU 56 19.463 7.746 -3.529 417 HB2 GLU 56 2HB GLU 56 17.226 7.874 -1.520 418 HB3 GLU 56 1HB GLU 56 18.451 9.107 -1.770 419 HG2 GLU 56 2HG GLU 56 17.619 9.460 -4.044 420 HG3 GLU 56 1HG GLU 56 16.378 8.239 -3.773 421 H TYR 57 HN TYR 57 20.708 5.629 -3.032 422 HA TYR 57 HA TYR 57 20.891 4.995 -0.211 423 HD1 TYR 57 HD1 TYR 57 21.216 2.347 0.507 424 HD2 TYR 57 HD2 TYR 57 24.641 3.577 -1.697 425 HE1 TYR 57 HE1 TYR 57 22.656 1.105 2.064 426 HE2 TYR 57 HE2 TYR 57 26.092 2.337 -0.146 427 HH TYR 57 HH TYR 57 26.045 1.481 2.130 428 HB2 TYR 57 2HB TYR 57 21.077 3.200 -1.875 429 HB3 TYR 57 1HB TYR 57 22.492 3.981 -2.571 430 HA ALA 1 HA ALA 1 -16.194 -10.143 -0.878 431 H1 ALA 1 1H ALA 1 -15.800 -11.662 1.631 432 H2 ALA 1 2H ALA 1 -15.046 -11.991 0.153 433 H3 ALA 1 3H ALA 1 -16.723 -12.156 0.301 434 HB1 ALA 1 3HB ALA 1 -17.246 -9.650 1.903 435 HB2 ALA 1 1HB ALA 1 -18.190 -10.183 0.511 436 HB3 ALA 1 2HB ALA 1 -17.458 -8.578 0.519 437 HA PRO 2 HA PRO 2 -12.273 -8.390 0.427 438 HB2 PRO 2 1HB PRO 2 -11.768 -8.144 -1.799 439 HB3 PRO 2 2HB PRO 2 -12.124 -6.446 -1.461 440 HG2 PRO 2 2HG PRO 2 -14.274 -6.592 -2.324 441 HG3 PRO 2 1HG PRO 2 -13.438 -7.754 -3.371 442 HD2 PRO 2 2HD PRO 2 -15.627 -8.416 -1.927 443 HD3 PRO 2 1HD PRO 2 -14.328 -9.577 -2.274 444 HA PRO 3 HA PRO 3 -14.296 -5.083 2.801 445 HB2 PRO 3 1HB PRO 3 -13.828 -6.319 4.691 446 HB3 PRO 3 2HB PRO 3 -12.567 -5.093 4.867 447 HG2 PRO 3 2HG PRO 3 -10.917 -6.485 4.019 448 HG3 PRO 3 1HG PRO 3 -11.955 -7.688 4.806 449 HD2 PRO 3 2HD PRO 3 -11.280 -7.775 2.161 450 HD3 PRO 3 1HD PRO 3 -12.782 -8.457 2.813 451 H GLY 4 HN GLY 4 -13.761 -3.462 1.257 452 HA2 GLY 4 2HA GLY 4 -12.602 -1.667 0.401 453 HA3 GLY 4 1HA GLY 4 -12.150 -1.403 2.077 454 H THR 5 HN THR 5 -11.216 -2.992 -0.913 455 HA THR 5 HA THR 5 -8.426 -2.569 -0.271 456 HB THR 5 HB THR 5 -8.743 -4.751 0.723 457 HG1 THR 5 HG1 THR 5 -8.407 -4.680 1.914 458 1HG2 THR 5 1HG2 THR 5 -8.999 -6.895 1.858 459 2HG2 THR 5 2HG2 THR 5 -8.749 -7.749 0.336 460 3HG2 THR 5 3HG2 THR 5 -9.858 -6.379 0.405 461 H ALA 6 HN ALA 6 -6.993 -2.974 -2.084 462 HA ALA 6 HA ALA 6 -8.238 -3.321 -4.697 463 HB1 ALA 6 3HB ALA 6 -8.211 -0.839 -4.020 464 HB2 ALA 6 1HB ALA 6 -7.579 -1.276 -5.607 465 HB3 ALA 6 2HB ALA 6 -6.471 -0.936 -4.282 466 H ARG 7 HN ARG 7 -5.246 -2.589 -2.944 467 HA ARG 7 HA ARG 7 -3.168 -3.511 -3.023 468 HE ARG 7 HE ARG 7 -5.374 -7.332 -4.671 469 HB2 ARG 7 2HB ARG 7 -4.422 -5.600 -4.811 470 HB3 ARG 7 1HB ARG 7 -2.873 -5.726 -3.987 471 HG2 ARG 7 2HG ARG 7 -4.063 -5.582 -1.821 472 HG3 ARG 7 1HG ARG 7 -5.592 -5.597 -2.704 473 HD2 ARG 7 2HD ARG 7 -3.494 -7.764 -2.678 474 HD3 ARG 7 1HD ARG 7 -5.080 -7.823 -1.911 475 HH11 ARG 7 1HH1 ARG 7 -4.499 -9.862 -2.444 476 HH12 ARG 7 2HH1 ARG 7 -5.021 -11.140 -3.489 477 HH21 ARG 7 2HH2 ARG 7 -5.911 -10.653 -5.544 478 HH22 ARG 7 1HH2 ARG 7 -6.064 -9.006 -6.056 479 H ARG 8 HN ARG 8 -1.627 -2.440 -4.063 480 HA ARG 8 HA ARG 8 -1.931 -1.512 -6.729 481 HE ARG 8 HE ARG 8 0.446 1.163 -7.287 482 HB2 ARG 8 2HB ARG 8 0.391 -1.536 -4.811 483 HB3 ARG 8 1HB ARG 8 0.545 -0.909 -6.446 484 HG2 ARG 8 2HG ARG 8 -1.378 0.100 -4.359 485 HG3 ARG 8 1HG ARG 8 0.141 0.868 -4.824 486 HD2 ARG 8 2HD ARG 8 -2.236 0.399 -6.621 487 HD3 ARG 8 1HD ARG 8 -1.758 1.941 -5.914 488 HH11 ARG 8 1HH1 ARG 8 -2.913 1.513 -8.135 489 HH12 ARG 8 2HH1 ARG 8 -2.588 1.933 -9.784 490 HH21 ARG 8 2HH2 ARG 8 -0.430 2.050 -10.534 491 HH22 ARG 8 1HH2 ARG 8 0.885 1.717 -9.458 492 H LYS 9 HN LYS 9 -0.034 -4.145 -5.278 493 HA LYS 9 HA LYS 9 0.058 -5.432 -7.881 494 HB2 LYS 9 2HB LYS 9 2.566 -4.963 -6.257 495 HB3 LYS 9 1HB LYS 9 2.459 -5.833 -7.781 496 HG2 LYS 9 2HG LYS 9 1.770 -3.762 -8.902 497 HG3 LYS 9 1HG LYS 9 1.931 -2.897 -7.371 498 HD2 LYS 9 2HD LYS 9 3.913 -2.583 -8.755 499 HD3 LYS 9 1HD LYS 9 4.308 -3.488 -7.292 500 HE2 LYS 9 2HE LYS 9 4.245 -5.572 -8.547 501 HE3 LYS 9 1HE LYS 9 3.789 -4.696 -10.008 502 HZ1 LYS 9 3HZ LYS 9 5.908 -3.533 -9.925 503 HZ2 LYS 9 1HZ LYS 9 6.148 -5.207 -9.982 504 HZ3 LYS 9 2HZ LYS 9 6.344 -4.375 -8.523 505 H ARG 10 HN ARG 10 1.703 -7.546 -7.288 506 HA ARG 10 HA ARG 10 0.091 -9.301 -5.888 507 HE ARG 10 HE ARG 10 3.693 -11.454 -4.901 508 HB2 ARG 10 2HB ARG 10 2.059 -10.777 -5.807 509 HB3 ARG 10 1HB ARG 10 1.875 -10.027 -7.389 510 HG2 ARG 10 2HG ARG 10 3.652 -8.540 -7.012 511 HG3 ARG 10 1HG ARG 10 3.681 -8.886 -5.280 512 HD2 ARG 10 2HD ARG 10 4.469 -10.734 -7.532 513 HD3 ARG 10 1HD ARG 10 5.538 -10.000 -6.337 514 HH11 ARG 10 1HH1 ARG 10 6.068 -12.110 -7.360 515 HH12 ARG 10 2HH1 ARG 10 6.375 -13.727 -6.817 516 HH21 ARG 10 2HH2 ARG 10 5.246 -14.564 -5.008 517 HH22 ARG 10 1HH2 ARG 10 4.086 -13.583 -4.178 518 H LYS 11 HN LYS 11 2.389 -7.000 -4.717 519 HA LYS 11 HA LYS 11 2.925 -6.284 -2.641 520 HB2 LYS 11 2HB LYS 11 0.737 -8.158 -1.732 521 HB3 LYS 11 1HB LYS 11 1.566 -7.005 -0.703 522 HG2 LYS 11 2HG LYS 11 0.759 -5.224 -2.337 523 HG3 LYS 11 1HG LYS 11 -0.332 -6.469 -2.950 524 HD2 LYS 11 2HD LYS 11 -1.298 -6.749 -0.744 525 HD3 LYS 11 1HD LYS 11 -0.159 -5.580 -0.074 526 HE2 LYS 11 2HE LYS 11 -1.119 -3.824 -1.449 527 HE3 LYS 11 1HE LYS 11 -2.216 -4.985 -2.192 528 HZ1 LYS 11 3HZ LYS 11 -3.371 -3.777 -0.498 529 HZ2 LYS 11 1HZ LYS 11 -2.191 -4.149 0.655 530 HZ3 LYS 11 2HZ LYS 11 -3.177 -5.372 0.028 531 H ALA 12 HN ALA 12 4.976 -7.081 -2.655 532 HA ALA 12 HA ALA 12 5.520 -9.817 -1.911 533 HB1 ALA 12 3HB ALA 12 6.859 -8.422 -3.576 534 HB2 ALA 12 1HB ALA 12 7.774 -9.362 -2.397 535 HB3 ALA 12 2HB ALA 12 7.563 -7.626 -2.165 536 H ASP 13 HN ASP 13 5.686 -10.500 0.146 537 HA ASP 13 HA ASP 13 6.540 -8.545 2.168 538 HB2 ASP 13 2HB ASP 13 5.035 -9.729 3.789 539 HB3 ASP 13 1HB ASP 13 4.194 -8.844 2.520 540 H SER 14 HN SER 14 8.473 -9.925 1.075 541 HA SER 14 HA SER 14 9.699 -11.272 3.169 542 HG SER 14 HG SER 14 9.989 -13.992 3.318 543 HB2 SER 14 2HB SER 14 8.103 -13.074 2.805 544 HB3 SER 14 1HB SER 14 8.520 -13.133 1.092 Start of MODEL 18 1 H1 GLY 1 1H GLY 1 9.276 4.022 -7.578 2 H2 GLY 1 2H GLY 1 9.339 5.698 -7.359 3 H3 GLY 1 3H GLY 1 9.073 4.681 -6.034 4 HA2 GLY 1 1HA GLY 1 11.295 3.708 -6.338 5 HA3 GLY 1 2HA GLY 1 11.556 4.843 -7.652 6 H SER 2 HN SER 2 10.001 5.413 -4.489 7 HA SER 2 HA SER 2 12.180 6.614 -3.231 8 HG SER 2 HG SER 2 9.632 9.208 -4.260 9 HB2 SER 2 2HB SER 2 11.620 9.012 -3.491 10 HB3 SER 2 1HB SER 2 12.149 8.259 -4.995 11 H GLN 3 HN GLN 3 8.689 6.489 -3.634 12 HA GLN 3 HA GLN 3 8.218 7.474 -0.960 13 HB2 GLN 3 2HB GLN 3 5.924 7.397 -1.512 14 HB3 GLN 3 1HB GLN 3 6.741 7.861 -2.998 15 HG2 GLN 3 2HG GLN 3 6.518 5.663 -3.899 16 HG3 GLN 3 1HG GLN 3 5.894 5.048 -2.370 17 HE21 GLN 3 2HE2 GLN 3 3.346 7.707 -4.101 18 HE22 GLN 3 1HE2 GLN 3 4.980 8.136 -3.747 19 H VAL 4 HN VAL 4 7.938 6.252 0.817 20 HA VAL 4 HA VAL 4 8.354 3.391 0.544 21 HB VAL 4 HB VAL 4 9.716 4.597 2.170 22 HG11 VAL 4 1HG1 VAL 4 7.898 6.277 2.738 23 HG12 VAL 4 2HG1 VAL 4 8.874 5.683 4.077 24 HG13 VAL 4 3HG1 VAL 4 7.250 5.053 3.828 25 HG21 VAL 4 3HG2 VAL 4 9.355 3.118 4.090 26 HG22 VAL 4 1HG2 VAL 4 9.246 2.248 2.560 27 HG23 VAL 4 2HG2 VAL 4 7.780 2.672 3.440 28 H PHE 5 HN PHE 5 6.100 3.391 -0.470 29 HA PHE 5 HA PHE 5 4.358 1.904 0.996 30 HD1 PHE 5 HD1 PHE 5 5.032 5.619 2.959 31 HD2 PHE 5 HD2 PHE 5 2.507 5.270 -0.450 32 HE1 PHE 5 HE1 PHE 5 5.329 8.016 2.499 33 HE2 PHE 5 HE2 PHE 5 2.800 7.668 -0.916 34 HZ PHE 5 HZ PHE 5 4.212 9.044 0.559 35 HB2 PHE 5 2HB PHE 5 2.517 3.595 1.497 36 HB3 PHE 5 1HB PHE 5 3.905 3.624 2.574 37 H GLU 6 HN GLU 6 2.173 1.735 0.029 38 HA GLU 6 HA GLU 6 1.878 2.956 -2.614 39 HB2 GLU 6 2HB GLU 6 3.024 0.828 -3.029 40 HB3 GLU 6 1HB GLU 6 1.779 -0.033 -2.129 41 HG2 GLU 6 2HG GLU 6 1.439 -0.273 -4.512 42 HG3 GLU 6 1HG GLU 6 0.118 0.645 -3.790 43 H TYR 7 HN TYR 7 -0.275 3.150 -3.297 44 HA TYR 7 HA TYR 7 -2.207 2.827 -1.181 45 HD1 TYR 7 HD1 TYR 7 -4.143 3.448 -4.943 46 HD2 TYR 7 HD2 TYR 7 -0.431 5.276 -3.952 47 HE1 TYR 7 HE1 TYR 7 -3.674 3.780 -7.334 48 HE2 TYR 7 HE2 TYR 7 0.048 5.612 -6.340 49 HH TYR 7 HH TYR 7 -0.621 4.625 -8.511 50 HB2 TYR 7 2HB TYR 7 -3.678 4.158 -2.679 51 HB3 TYR 7 1HB TYR 7 -2.175 4.967 -2.272 52 H ALA 8 HN ALA 8 -3.044 0.871 -0.989 53 HA ALA 8 HA ALA 8 -3.699 -0.672 -3.378 54 HB1 ALA 8 3HB ALA 8 -2.798 -1.445 -0.919 55 HB2 ALA 8 1HB ALA 8 -3.609 -2.504 -2.072 56 HB3 ALA 8 2HB ALA 8 -4.530 -1.742 -0.777 57 H GLU 9 HN GLU 9 -5.157 1.461 -3.580 58 HA GLU 9 HA GLU 9 -7.780 0.851 -2.452 59 HB2 GLU 9 2HB GLU 9 -7.650 2.930 -1.660 60 HB3 GLU 9 1HB GLU 9 -6.188 3.234 -2.572 61 HG2 GLU 9 2HG GLU 9 -8.961 3.530 -3.665 62 HG3 GLU 9 1HG GLU 9 -8.012 4.840 -2.995 63 H VAL 10 HN VAL 10 -9.598 1.521 -3.645 64 HA VAL 10 HA VAL 10 -9.314 0.690 -6.381 65 HB VAL 10 HB VAL 10 -11.738 0.906 -4.676 66 HG11 VAL 10 1HG1 VAL 10 -11.751 0.973 -7.370 67 HG12 VAL 10 2HG1 VAL 10 -13.033 0.226 -6.417 68 HG13 VAL 10 3HG1 VAL 10 -11.751 -0.769 -7.103 69 HG21 VAL 10 3HG2 VAL 10 -10.858 -0.918 -3.730 70 HG22 VAL 10 1HG2 VAL 10 -9.726 -1.171 -5.059 71 HG23 VAL 10 2HG2 VAL 10 -11.388 -1.737 -5.201 72 H ASP 11 HN ASP 11 -10.592 3.310 -4.448 73 HA ASP 11 HA ASP 11 -10.351 5.043 -6.788 74 HB2 ASP 11 2HB ASP 11 -12.672 4.563 -6.822 75 HB3 ASP 11 1HB ASP 11 -12.829 4.763 -5.089 76 H GLU 12 HN GLU 12 -10.437 4.751 -3.258 77 HA GLU 12 HA GLU 12 -8.880 7.169 -3.044 78 HB2 GLU 12 2HB GLU 12 -11.687 7.106 -1.944 79 HB3 GLU 12 1HB GLU 12 -10.473 8.272 -1.443 80 HG2 GLU 12 2HG GLU 12 -10.317 9.106 -3.726 81 HG3 GLU 12 1HG GLU 12 -11.513 7.922 -4.242 82 H ILE 13 HN ILE 13 -7.906 7.511 -1.020 83 HA ILE 13 HA ILE 13 -8.245 5.310 0.912 84 HB ILE 13 HB ILE 13 -5.885 5.127 1.276 85 HG12 ILE 13 2HG1 ILE 13 -5.421 7.603 1.135 86 HG13 ILE 13 1HG1 ILE 13 -4.231 6.612 0.301 87 HG21 ILE 13 1HG2 ILE 13 -5.220 5.194 -1.404 88 HG22 ILE 13 2HG2 ILE 13 -6.963 4.952 -1.403 89 HG23 ILE 13 3HG2 ILE 13 -5.920 3.835 -0.528 90 HD11 ILE 13 3HD1 ILE 13 -5.786 7.079 -1.766 91 HD12 ILE 13 1HD1 ILE 13 -4.568 8.245 -1.246 92 HD13 ILE 13 2HD1 ILE 13 -6.255 8.476 -0.798 93 H VAL 14 HN VAL 14 -6.643 6.116 2.920 94 HA VAL 14 HA VAL 14 -7.184 8.906 3.544 95 HB VAL 14 HB VAL 14 -8.225 6.649 5.269 96 HG11 VAL 14 1HG1 VAL 14 -7.244 8.408 6.647 97 HG12 VAL 14 2HG1 VAL 14 -9.000 8.403 6.796 98 HG13 VAL 14 3HG1 VAL 14 -8.205 9.621 5.800 99 HG21 VAL 14 3HG2 VAL 14 -10.409 7.649 4.886 100 HG22 VAL 14 1HG2 VAL 14 -9.653 7.210 3.355 101 HG23 VAL 14 2HG2 VAL 14 -9.679 8.895 3.874 102 H GLU 15 HN GLU 15 -5.966 5.815 4.775 103 HA GLU 15 HA GLU 15 -3.842 7.228 6.218 104 HB2 GLU 15 2HB GLU 15 -4.635 4.305 6.248 105 HB3 GLU 15 1HB GLU 15 -3.370 5.023 7.238 106 HG2 GLU 15 2HG GLU 15 -5.016 6.415 8.361 107 HG3 GLU 15 1HG GLU 15 -6.291 5.740 7.347 108 H LYS 16 HN LYS 16 -1.669 6.954 5.719 109 HA LYS 16 HA LYS 16 -0.936 5.080 3.623 110 HB2 LYS 16 2HB LYS 16 0.216 6.962 2.343 111 HB3 LYS 16 1HB LYS 16 -1.534 6.865 2.208 112 HG2 LYS 16 2HG LYS 16 -1.823 8.696 3.705 113 HG3 LYS 16 1HG LYS 16 -0.107 8.700 4.118 114 HD2 LYS 16 2HD LYS 16 -1.201 9.242 1.359 115 HD3 LYS 16 1HD LYS 16 -0.761 10.493 2.522 116 HE2 LYS 16 2HE LYS 16 1.537 9.650 2.555 117 HE3 LYS 16 1HE LYS 16 1.097 8.405 1.387 118 HZ1 LYS 16 3HZ LYS 16 1.002 11.336 0.920 119 HZ2 LYS 16 1HZ LYS 16 0.550 10.151 -0.201 120 HZ3 LYS 16 2HZ LYS 16 2.159 10.269 0.302 121 H ARG 17 HN ARG 17 0.409 4.168 5.327 122 HA ARG 17 HA ARG 17 2.979 5.486 5.549 123 HE ARG 17 HE ARG 17 2.690 3.933 10.147 124 HB2 ARG 17 2HB ARG 17 1.666 6.414 7.436 125 HB3 ARG 17 1HB ARG 17 1.412 4.781 8.032 126 HG2 ARG 17 2HG ARG 17 3.860 4.537 8.279 127 HG3 ARG 17 1HG ARG 17 4.039 6.229 7.800 128 HD2 ARG 17 2HD ARG 17 4.033 6.358 10.111 129 HD3 ARG 17 1HD ARG 17 2.352 6.694 9.692 130 HH11 ARG 17 1HH1 ARG 17 2.584 6.972 11.840 131 HH12 ARG 17 2HH1 ARG 17 2.004 6.280 13.318 132 HH21 ARG 17 2HH2 ARG 17 1.626 4.023 13.457 133 HH22 ARG 17 1HH2 ARG 17 1.923 3.007 12.087 134 H GLY 18 HN GLY 18 3.990 3.704 4.559 135 HA2 GLY 18 2HA GLY 18 4.115 1.346 6.268 136 HA3 GLY 18 1HA GLY 18 3.480 1.104 4.659 137 H LYS 19 HN LYS 19 4.868 0.055 3.551 138 HA LYS 19 HA LYS 19 7.724 0.748 3.651 139 HB2 LYS 19 2HB LYS 19 6.233 -1.817 3.358 140 HB3 LYS 19 1HB LYS 19 7.891 -1.688 2.771 141 HG2 LYS 19 2HG LYS 19 8.620 -1.050 5.032 142 HG3 LYS 19 1HG LYS 19 6.958 -1.245 5.599 143 HD2 LYS 19 2HD LYS 19 7.111 -3.601 4.634 144 HD3 LYS 19 1HD LYS 19 8.852 -3.333 4.581 145 HE2 LYS 19 2HE LYS 19 7.106 -3.158 7.034 146 HE3 LYS 19 1HE LYS 19 8.186 -4.491 6.631 147 HZ1 LYS 19 3HZ LYS 19 9.220 -3.016 8.216 148 HZ2 LYS 19 1HZ LYS 19 9.001 -1.690 7.188 149 HZ3 LYS 19 2HZ LYS 19 10.054 -2.939 6.747 150 H GLY 20 HN GLY 20 5.735 -1.131 1.573 151 HA2 GLY 20 2HA GLY 20 5.969 0.619 -0.706 152 HA3 GLY 20 1HA GLY 20 6.694 -0.985 -0.851 153 H LYS 21 HN LYS 21 5.185 -2.531 0.525 154 HA LYS 21 HA LYS 21 2.425 -2.253 -0.435 155 HB2 LYS 21 2HB LYS 21 4.295 -4.583 -0.632 156 HB3 LYS 21 1HB LYS 21 2.576 -4.889 -0.430 157 HG2 LYS 21 2HG LYS 21 2.908 -4.940 -2.733 158 HG3 LYS 21 1HG LYS 21 2.239 -3.338 -2.425 159 HD2 LYS 21 2HD LYS 21 4.857 -2.779 -2.213 160 HD3 LYS 21 1HD LYS 21 4.937 -4.133 -3.338 161 HE2 LYS 21 2HE LYS 21 3.339 -3.005 -4.808 162 HE3 LYS 21 1HE LYS 21 3.265 -1.646 -3.688 163 HZ1 LYS 21 3HZ LYS 21 5.604 -1.232 -4.080 164 HZ2 LYS 21 1HZ LYS 21 4.754 -1.209 -5.542 165 HZ3 LYS 21 2HZ LYS 21 5.696 -2.552 -5.132 166 H ASP 22 HN ASP 22 4.455 -2.495 2.234 167 HA ASP 22 HA ASP 22 2.717 -3.983 3.927 168 HB2 ASP 22 2HB ASP 22 5.266 -3.943 4.126 169 HB3 ASP 22 1HB ASP 22 5.074 -2.331 4.781 170 H VAL 23 HN VAL 23 2.333 -1.138 2.680 171 HA VAL 23 HA VAL 23 1.736 0.376 5.039 172 HB VAL 23 HB VAL 23 2.661 1.334 2.910 173 HG11 VAL 23 1HG1 VAL 23 0.814 2.049 1.287 174 HG12 VAL 23 2HG1 VAL 23 -0.152 0.763 1.992 175 HG13 VAL 23 3HG1 VAL 23 1.371 0.383 1.191 176 HG21 VAL 23 3HG2 VAL 23 1.978 3.308 3.671 177 HG22 VAL 23 1HG2 VAL 23 1.035 2.391 4.843 178 HG23 VAL 23 2HG2 VAL 23 0.284 2.939 3.352 179 H GLU 24 HN GLU 24 -0.320 1.188 5.537 180 HA GLU 24 HA GLU 24 -2.470 -0.613 4.681 181 HB2 GLU 24 2HB GLU 24 -3.545 0.443 6.869 182 HB3 GLU 24 1HB GLU 24 -2.474 -0.947 6.926 183 HG2 GLU 24 2HG GLU 24 -1.950 0.693 8.660 184 HG3 GLU 24 1HG GLU 24 -0.610 0.459 7.541 185 H TYR 25 HN TYR 25 -3.282 0.486 2.945 186 HA TYR 25 HA TYR 25 -4.001 3.303 3.258 187 HD1 TYR 25 HD1 TYR 25 -3.791 4.806 -0.124 188 HD2 TYR 25 HD2 TYR 25 -1.177 2.403 2.197 189 HE1 TYR 25 HE1 TYR 25 -1.979 6.402 -0.549 190 HE2 TYR 25 HE2 TYR 25 0.651 3.996 1.778 191 HH TYR 25 HH TYR 25 0.125 7.076 0.360 192 HB2 TYR 25 2HB TYR 25 -3.412 1.540 0.940 193 HB3 TYR 25 1HB TYR 25 -4.589 2.822 0.693 194 H LEU 26 HN LEU 26 -6.160 3.987 2.754 195 HA LEU 26 HA LEU 26 -8.167 1.969 3.317 196 HG LEU 26 HG LEU 26 -10.544 3.165 3.127 197 HB2 LEU 26 2HB LEU 26 -8.476 3.944 4.598 198 HB3 LEU 26 1HB LEU 26 -8.191 4.980 3.215 199 HD11 LEU 26 1HD1 LEU 26 -10.811 4.032 5.324 200 HD12 LEU 26 2HD1 LEU 26 -11.904 4.913 4.257 201 HD13 LEU 26 3HD1 LEU 26 -10.399 5.659 4.791 202 HD21 LEU 26 3HD2 LEU 26 -10.311 4.366 1.171 203 HD22 LEU 26 1HD2 LEU 26 -9.771 5.821 2.009 204 HD23 LEU 26 2HD2 LEU 26 -11.464 5.337 2.085 205 H VAL 27 HN VAL 27 -10.086 1.809 1.914 206 HA VAL 27 HA VAL 27 -9.632 2.910 -0.732 207 HB VAL 27 HB VAL 27 -9.232 1.124 -1.818 208 HG11 VAL 27 1HG1 VAL 27 -8.242 -0.808 -0.629 209 HG12 VAL 27 2HG1 VAL 27 -8.814 -0.096 0.880 210 HG13 VAL 27 3HG1 VAL 27 -7.633 0.764 -0.110 211 HG21 VAL 27 3HG2 VAL 27 -11.416 0.227 -1.919 212 HG22 VAL 27 1HG2 VAL 27 -11.309 -0.367 -0.267 213 HG23 VAL 27 2HG2 VAL 27 -10.341 -1.115 -1.530 214 H ARG 28 HN ARG 28 -11.303 4.063 -1.155 215 HA ARG 28 HA ARG 28 -13.965 3.234 -0.356 216 HE ARG 28 HE ARG 28 -15.481 6.471 0.285 217 HB2 ARG 28 2HB ARG 28 -13.272 5.516 -2.196 218 HB3 ARG 28 1HB ARG 28 -14.709 5.335 -1.201 219 HG2 ARG 28 2HG ARG 28 -11.961 5.678 -0.036 220 HG3 ARG 28 1HG ARG 28 -13.018 7.037 -0.423 221 HD2 ARG 28 2HD ARG 28 -13.746 4.760 1.419 222 HD3 ARG 28 1HD ARG 28 -13.134 6.324 1.955 223 HH11 ARG 28 1HH1 ARG 28 -14.265 6.176 3.536 224 HH12 ARG 28 2HH1 ARG 28 -15.704 6.801 4.269 225 HH21 ARG 28 2HH2 ARG 28 -17.473 7.439 2.967 226 HH22 ARG 28 1HH2 ARG 28 -17.380 7.298 1.243 227 H TRP 29 HN TRP 29 -13.863 1.271 -1.436 228 HA TRP 29 HA TRP 29 -13.259 0.405 -3.821 229 HD1 TRP 29 HD1 TRP 29 -13.221 -1.210 -5.030 230 HE1 TRP 29 HE1 TRP 29 -12.843 -3.758 -5.085 231 HE3 TRP 29 HE3 TRP 29 -16.350 -2.577 -1.228 232 HZ2 TRP 29 HZ2 TRP 29 -13.755 -6.043 -3.699 233 HZ3 TRP 29 HZ3 TRP 29 -16.543 -4.962 -0.655 234 HH2 TRP 29 HH2 TRP 29 -15.272 -6.659 -1.867 235 HB2 TRP 29 2HB TRP 29 -15.174 -0.298 -1.938 236 HB3 TRP 29 1HB TRP 29 -16.066 -0.207 -3.452 237 H LYS 30 HN LYS 30 -13.040 1.990 -5.317 238 HA LYS 30 HA LYS 30 -14.473 3.865 -6.447 239 HB2 LYS 30 2HB LYS 30 -12.484 2.766 -7.509 240 HB3 LYS 30 1HB LYS 30 -13.572 1.562 -8.185 241 HG2 LYS 30 2HG LYS 30 -14.749 3.305 -9.420 242 HG3 LYS 30 1HG LYS 30 -13.669 4.522 -8.733 243 HD2 LYS 30 2HD LYS 30 -12.949 3.934 -10.974 244 HD3 LYS 30 1HD LYS 30 -11.756 3.392 -9.793 245 HE2 LYS 30 2HE LYS 30 -12.639 1.128 -9.912 246 HE3 LYS 30 1HE LYS 30 -13.883 1.658 -11.046 247 HZ1 LYS 30 3HZ LYS 30 -10.952 1.722 -11.533 248 HZ2 LYS 30 1HZ LYS 30 -12.140 2.245 -12.620 249 HZ3 LYS 30 2HZ LYS 30 -12.041 0.610 -12.196 250 H ASP 31 HN ASP 31 -15.473 0.493 -6.682 251 HA ASP 31 HA ASP 31 -18.102 1.400 -7.659 252 HB2 ASP 31 2HB ASP 31 -16.724 -1.223 -8.292 253 HB3 ASP 31 1HB ASP 31 -18.321 -0.735 -8.850 254 H GLY 32 HN GLY 32 -17.950 1.499 -5.076 255 HA2 GLY 32 2HA GLY 32 -19.332 -0.922 -4.145 256 HA3 GLY 32 1HA GLY 32 -17.965 -0.312 -3.220 257 H GLY 33 HN GLY 33 -19.473 -0.171 -1.455 258 HA2 GLY 33 2HA GLY 33 -20.772 2.448 -1.415 259 HA3 GLY 33 1HA GLY 33 -21.768 1.048 -1.045 260 H ASP 34 HN ASP 34 -18.464 0.900 -0.104 261 HA ASP 34 HA ASP 34 -19.072 1.798 2.615 262 HB2 ASP 34 2HB ASP 34 -17.849 -0.892 1.956 263 HB3 ASP 34 1HB ASP 34 -18.050 -0.227 3.574 264 H CYS 35 HN CYS 35 -16.823 1.352 3.929 265 HA CYS 35 HA CYS 35 -14.527 2.032 2.284 266 HG CYS 35 HG CYS 35 -14.871 4.582 5.903 267 HB2 CYS 35 2HB CYS 35 -14.009 4.070 3.544 268 HB3 CYS 35 1HB CYS 35 -15.557 4.213 2.718 269 H GLU 36 HN GLU 36 -13.085 0.592 2.956 270 HA GLU 36 HA GLU 36 -12.718 0.239 5.855 271 HB2 GLU 36 2HB GLU 36 -12.895 -1.779 3.673 272 HB3 GLU 36 1HB GLU 36 -11.784 -2.093 4.995 273 HG2 GLU 36 2HG GLU 36 -14.731 -1.552 5.270 274 HG3 GLU 36 1HG GLU 36 -13.961 -3.136 5.353 275 H TRP 37 HN TRP 37 -10.442 -1.077 6.062 276 HA TRP 37 HA TRP 37 -8.486 0.675 4.746 277 HD1 TRP 37 HD1 TRP 37 -8.496 2.810 6.164 278 HE1 TRP 37 HE1 TRP 37 -9.785 4.100 7.980 279 HE3 TRP 37 HE3 TRP 37 -9.285 -1.012 9.464 280 HZ2 TRP 37 HZ2 TRP 37 -10.979 3.567 10.482 281 HZ3 TRP 37 HZ3 TRP 37 -10.509 -0.539 11.546 282 HH2 TRP 37 HH2 TRP 37 -11.338 1.703 12.043 283 HB2 TRP 37 2HB TRP 37 -8.214 -0.895 7.315 284 HB3 TRP 37 1HB TRP 37 -7.051 0.248 6.663 285 H VAL 38 HN VAL 38 -6.493 -0.178 4.051 286 HA VAL 38 HA VAL 38 -6.667 -2.909 3.060 287 HB VAL 38 HB VAL 38 -4.690 -0.681 2.559 288 HG11 VAL 38 1HG1 VAL 38 -3.449 -2.756 2.504 289 HG12 VAL 38 2HG1 VAL 38 -3.637 -2.111 0.883 290 HG13 VAL 38 3HG1 VAL 38 -4.639 -3.460 1.410 291 HG21 VAL 38 3HG2 VAL 38 -7.136 -0.999 1.521 292 HG22 VAL 38 1HG2 VAL 38 -6.197 -1.957 0.379 293 HG23 VAL 38 2HG2 VAL 38 -5.798 -0.258 0.641 294 H LYS 39 HN LYS 39 -4.752 -4.332 3.254 295 HA LYS 39 HA LYS 39 -3.937 -4.396 5.993 296 HB2 LYS 39 2HB LYS 39 -4.610 -6.456 4.824 297 HB3 LYS 39 1HB LYS 39 -3.239 -6.275 3.739 298 HG2 LYS 39 2HG LYS 39 -1.708 -6.544 5.619 299 HG3 LYS 39 1HG LYS 39 -3.081 -6.709 6.715 300 HD2 LYS 39 2HD LYS 39 -3.815 -8.697 5.451 301 HD3 LYS 39 1HD LYS 39 -2.388 -8.546 4.423 302 HE2 LYS 39 2HE LYS 39 -0.942 -8.874 6.350 303 HE3 LYS 39 1HE LYS 39 -2.347 -8.958 7.411 304 HZ1 LYS 39 3HZ LYS 39 -3.072 -10.937 6.190 305 HZ2 LYS 39 1HZ LYS 39 -1.552 -11.160 6.901 306 HZ3 LYS 39 2HZ LYS 39 -1.675 -10.869 5.239 307 H GLY 40 HN GLY 40 -2.468 -3.015 6.584 308 HA2 GLY 40 2HA GLY 40 -0.159 -2.490 4.918 309 HA3 GLY 40 1HA GLY 40 -0.551 -1.688 6.430 310 H VAL 41 HN VAL 41 -0.185 -5.123 5.673 311 HA VAL 41 HA VAL 41 2.072 -5.229 7.561 312 HB VAL 41 HB VAL 41 0.419 -7.650 7.004 313 HG11 VAL 41 1HG1 VAL 41 1.977 -6.687 9.396 314 HG12 VAL 41 2HG1 VAL 41 2.482 -7.911 8.230 315 HG13 VAL 41 3HG1 VAL 41 1.112 -8.221 9.296 316 HG21 VAL 41 3HG2 VAL 41 -0.317 -5.527 9.023 317 HG22 VAL 41 1HG2 VAL 41 -1.045 -7.128 8.914 318 HG23 VAL 41 2HG2 VAL 41 -1.250 -5.976 7.596 319 H HIS 42 HN HIS 42 1.313 -5.328 4.373 320 HA HIS 42 HA HIS 42 2.769 -7.633 3.551 321 HD1 HIS 42 HD1 HIS 42 0.074 -6.778 0.128 322 HD2 HIS 42 HD2 HIS 42 3.069 -9.058 1.890 323 HE1 HIS 42 HE1 HIS 42 -0.076 -9.041 -0.958 324 HE2 HIS 42 HE2 HIS 42 1.740 -10.407 0.128 325 HB2 HIS 42 2HB HIS 42 1.071 -5.762 2.315 326 HB3 HIS 42 1HB HIS 42 2.629 -5.627 1.498 327 H VAL 43 HN VAL 43 4.503 -7.379 4.865 328 HA VAL 43 HA VAL 43 6.328 -5.315 4.897 329 HB VAL 43 HB VAL 43 6.957 -8.236 5.239 330 HG11 VAL 43 1HG1 VAL 43 8.683 -6.051 5.164 331 HG12 VAL 43 2HG1 VAL 43 9.034 -7.661 5.789 332 HG13 VAL 43 3HG1 VAL 43 8.461 -6.398 6.879 333 HG21 VAL 43 3HG2 VAL 43 5.136 -7.552 6.697 334 HG22 VAL 43 1HG2 VAL 43 6.086 -6.179 7.266 335 HG23 VAL 43 2HG2 VAL 43 6.606 -7.824 7.632 336 H ALA 44 HN ALA 44 6.243 -4.756 2.565 337 HA ALA 44 HA ALA 44 8.089 -6.278 0.923 338 HB1 ALA 44 3HB ALA 44 7.422 -4.894 -0.897 339 HB2 ALA 44 1HB ALA 44 6.663 -3.734 0.191 340 HB3 ALA 44 2HB ALA 44 5.961 -5.338 -0.017 341 H GLU 45 HN GLU 45 9.367 -5.451 3.057 342 HA GLU 45 HA GLU 45 10.465 -2.964 3.289 343 HB2 GLU 45 2HB GLU 45 12.211 -3.909 4.531 344 HB3 GLU 45 1HB GLU 45 10.900 -5.063 4.712 345 HG2 GLU 45 2HG GLU 45 11.930 -6.479 2.982 346 HG3 GLU 45 1HG GLU 45 13.251 -5.323 2.845 347 H ASP 46 HN ASP 46 11.074 -5.341 0.862 348 HA ASP 46 HA ASP 46 13.482 -4.242 -0.191 349 HB2 ASP 46 2HB ASP 46 11.355 -5.850 -1.625 350 HB3 ASP 46 1HB ASP 46 13.008 -5.590 -2.173 351 H VAL 47 HN VAL 47 10.080 -3.882 -1.119 352 HA VAL 47 HA VAL 47 10.470 -2.125 -3.261 353 HB VAL 47 HB VAL 47 8.115 -2.177 -1.375 354 HG11 VAL 47 1HG1 VAL 47 8.632 -0.390 -3.351 355 HG12 VAL 47 2HG1 VAL 47 7.017 -0.844 -2.809 356 HG13 VAL 47 3HG1 VAL 47 7.723 -1.621 -4.228 357 HG21 VAL 47 3HG2 VAL 47 8.674 -4.409 -2.289 358 HG22 VAL 47 1HG2 VAL 47 8.520 -3.752 -3.915 359 HG23 VAL 47 2HG2 VAL 47 7.116 -3.806 -2.848 360 H ALA 48 HN ALA 48 10.419 -1.623 0.135 361 HA ALA 48 HA ALA 48 10.266 1.236 0.177 362 HB1 ALA 48 3HB ALA 48 9.346 -0.007 2.028 363 HB2 ALA 48 1HB ALA 48 10.708 0.962 2.589 364 HB3 ALA 48 2HB ALA 48 10.905 -0.771 2.329 365 H LYS 49 HN LYS 49 12.748 -1.110 1.208 366 HA LYS 49 HA LYS 49 14.835 0.728 1.434 367 HB2 LYS 49 2HB LYS 49 14.901 -1.627 2.268 368 HB3 LYS 49 1HB LYS 49 15.060 -2.177 0.605 369 HG2 LYS 49 2HG LYS 49 17.163 -0.859 0.436 370 HG3 LYS 49 1HG LYS 49 17.020 -0.501 2.158 371 HD2 LYS 49 2HD LYS 49 18.508 -2.359 1.910 372 HD3 LYS 49 1HD LYS 49 16.994 -2.961 2.590 373 HE2 LYS 49 2HE LYS 49 16.292 -3.700 0.363 374 HE3 LYS 49 1HE LYS 49 17.807 -3.100 -0.313 375 HZ1 LYS 49 3HZ LYS 49 17.949 -5.458 0.051 376 HZ2 LYS 49 1HZ LYS 49 17.512 -5.286 1.677 377 HZ3 LYS 49 2HZ LYS 49 18.990 -4.675 1.129 378 H ASP 50 HN ASP 50 13.362 -0.809 -1.287 379 HA ASP 50 HA ASP 50 15.423 0.074 -3.134 380 HB2 ASP 50 2HB ASP 50 14.206 -2.199 -3.249 381 HB3 ASP 50 1HB ASP 50 12.835 -1.281 -3.875 382 H TYR 51 HN TYR 51 12.325 1.044 -1.915 383 HA TYR 51 HA TYR 51 11.613 2.681 -4.088 384 HD1 TYR 51 HD1 TYR 51 10.021 3.346 -4.923 385 HD2 TYR 51 HD2 TYR 51 8.216 1.585 -1.496 386 HE1 TYR 51 HE1 TYR 51 8.029 2.813 -6.256 387 HE2 TYR 51 HE2 TYR 51 6.218 1.047 -2.823 388 HH TYR 51 HH TYR 51 5.097 1.804 -4.858 389 HB2 TYR 51 2HB TYR 51 10.527 2.197 -1.457 390 HB3 TYR 51 1HB TYR 51 10.364 3.862 -1.936 391 H GLU 52 HN GLU 52 12.369 3.594 -0.785 392 HA GLU 52 HA GLU 52 13.202 6.207 -1.596 393 HB2 GLU 52 2HB GLU 52 13.474 6.651 0.805 394 HB3 GLU 52 1HB GLU 52 11.894 5.984 0.423 395 HG2 GLU 52 2HG GLU 52 12.579 3.810 1.225 396 HG3 GLU 52 1HG GLU 52 14.210 4.407 1.519 397 H ASP 53 HN ASP 53 14.734 3.414 -0.064 398 HA ASP 53 HA ASP 53 17.325 4.666 -0.040 399 HB2 ASP 53 2HB ASP 53 16.170 2.080 0.861 400 HB3 ASP 53 1HB ASP 53 17.911 2.145 0.584 401 H GLY 54 HN GLY 54 15.523 2.794 -2.283 402 HA2 GLY 54 2HA GLY 54 17.765 1.620 -3.635 403 HA3 GLY 54 1HA GLY 54 16.117 1.706 -4.237 404 H LEU 55 HN LEU 55 15.731 4.469 -4.216 405 HA LEU 55 HA LEU 55 17.136 5.192 -6.609 406 HG LEU 55 HG LEU 55 16.451 8.339 -6.275 407 HB2 LEU 55 2HB LEU 55 14.796 5.811 -6.285 408 HB3 LEU 55 1HB LEU 55 15.228 6.772 -4.883 409 HD11 LEU 55 1HD1 LEU 55 15.656 6.570 -8.584 410 HD12 LEU 55 2HD1 LEU 55 17.287 6.774 -7.945 411 HD13 LEU 55 3HD1 LEU 55 16.463 8.133 -8.709 412 HD21 LEU 55 3HD2 LEU 55 14.593 9.279 -7.529 413 HD22 LEU 55 1HD2 LEU 55 14.041 8.678 -5.965 414 HD23 LEU 55 2HD2 LEU 55 13.727 7.745 -7.430 415 H GLU 56 HN GLU 56 16.816 6.882 -3.481 416 HA GLU 56 HA GLU 56 19.293 8.303 -3.993 417 HB2 GLU 56 2HB GLU 56 17.346 8.456 -1.703 418 HB3 GLU 56 1HB GLU 56 18.769 9.471 -1.860 419 HG2 GLU 56 2HG GLU 56 16.409 9.393 -3.725 420 HG3 GLU 56 1HG GLU 56 16.797 10.667 -2.570 421 H TYR 57 HN TYR 57 20.165 5.923 -3.937 422 HA TYR 57 HA TYR 57 20.703 4.906 -1.290 423 HD1 TYR 57 HD1 TYR 57 20.498 1.822 -1.393 424 HD2 TYR 57 HD2 TYR 57 24.029 3.515 -3.054 425 HE1 TYR 57 HE1 TYR 57 21.850 0.141 -0.214 426 HE2 TYR 57 HE2 TYR 57 25.393 1.838 -1.880 427 HH TYR 57 HH TYR 57 24.044 -0.911 -0.386 428 HB2 TYR 57 2HB TYR 57 20.361 3.392 -3.214 429 HB3 TYR 57 1HB TYR 57 21.812 4.041 -3.969 430 HA ALA 1 HA ALA 1 -14.890 -10.621 2.962 431 H1 ALA 1 1H ALA 1 -13.195 -11.441 1.772 432 H2 ALA 1 2H ALA 1 -12.000 -10.870 2.819 433 H3 ALA 1 3H ALA 1 -12.735 -9.812 1.720 434 HB1 ALA 1 3HB ALA 1 -13.687 -12.137 4.433 435 HB2 ALA 1 1HB ALA 1 -14.467 -10.852 5.355 436 HB3 ALA 1 2HB ALA 1 -12.731 -10.794 5.057 437 HA PRO 2 HA PRO 2 -13.103 -6.476 5.118 438 HB2 PRO 2 1HB PRO 2 -11.069 -5.533 4.566 439 HB3 PRO 2 2HB PRO 2 -11.189 -6.016 2.870 440 HG2 PRO 2 2HG PRO 2 -9.678 -7.607 3.639 441 HG3 PRO 2 1HG PRO 2 -10.400 -7.639 5.259 442 HD2 PRO 2 2HD PRO 2 -11.251 -9.040 2.777 443 HD3 PRO 2 1HD PRO 2 -11.409 -9.540 4.471 444 HA PRO 3 HA PRO 3 -16.003 -5.119 1.873 445 HB2 PRO 3 1HB PRO 3 -17.693 -5.349 3.425 446 HB3 PRO 3 2HB PRO 3 -17.534 -3.589 3.489 447 HG2 PRO 3 2HG PRO 3 -16.246 -3.649 5.422 448 HG3 PRO 3 1HG PRO 3 -17.292 -5.055 5.698 449 HD2 PRO 3 2HD PRO 3 -14.578 -5.203 5.715 450 HD3 PRO 3 1HD PRO 3 -15.615 -6.554 5.214 451 H GLY 4 HN GLY 4 -13.786 -3.979 1.359 452 HA2 GLY 4 2HA GLY 4 -13.916 -1.606 0.349 453 HA3 GLY 4 1HA GLY 4 -13.954 -1.120 2.036 454 H THR 5 HN THR 5 -12.023 -3.282 -0.041 455 HA THR 5 HA THR 5 -9.607 -1.878 0.714 456 HB THR 5 HB THR 5 -8.435 -3.756 1.628 457 HG1 THR 5 HG1 THR 5 -9.127 -5.591 0.753 458 HG21 THR 5 3HG2 THR 5 -11.162 -3.688 2.921 459 HG22 THR 5 1HG2 THR 5 -9.910 -2.468 3.163 460 HG23 THR 5 2HG2 THR 5 -9.635 -4.131 3.684 461 H ALA 6 HN ALA 6 -7.646 -3.051 -0.295 462 HA ALA 6 HA ALA 6 -8.021 -4.708 -2.559 463 HB1 ALA 6 3HB ALA 6 -9.004 -2.627 -3.461 464 HB2 ALA 6 1HB ALA 6 -7.568 -3.145 -4.344 465 HB3 ALA 6 2HB ALA 6 -7.464 -1.813 -3.194 466 H ARG 7 HN ARG 7 -6.362 -4.788 -0.362 467 HA ARG 7 HA ARG 7 -3.868 -3.746 -0.352 468 HE ARG 7 HE ARG 7 -2.342 -7.519 1.182 469 HB2 ARG 7 2HB ARG 7 -3.091 -5.780 0.714 470 HB3 ARG 7 1HB ARG 7 -4.709 -5.390 1.280 471 HG2 ARG 7 2HG ARG 7 -5.663 -7.069 -0.174 472 HG3 ARG 7 1HG ARG 7 -4.072 -7.420 -0.850 473 HD2 ARG 7 2HD ARG 7 -4.884 -7.793 2.031 474 HD3 ARG 7 1HD ARG 7 -4.737 -9.076 0.831 475 HH11 ARG 7 1HH1 ARG 7 -4.171 -10.268 2.288 476 HH12 ARG 7 2HH1 ARG 7 -2.796 -11.076 2.963 477 HH21 ARG 7 2HH2 ARG 7 -0.722 -10.111 2.840 478 HH22 ARG 7 1HH2 ARG 7 -0.524 -8.573 2.068 479 H ARG 8 HN ARG 8 -2.012 -3.833 -1.510 480 HA ARG 8 HA ARG 8 -1.993 -4.694 -4.150 481 HE ARG 8 HE ARG 8 1.590 -3.875 -6.838 482 HB2 ARG 8 2HB ARG 8 -0.373 -3.095 -3.011 483 HB3 ARG 8 1HB ARG 8 0.465 -4.517 -2.403 484 HG2 ARG 8 2HG ARG 8 1.568 -3.678 -4.378 485 HG3 ARG 8 1HG ARG 8 0.852 -5.257 -4.711 486 HD2 ARG 8 2HD ARG 8 -1.023 -4.211 -5.825 487 HD3 ARG 8 1HD ARG 8 -0.415 -2.610 -5.407 488 HH11 ARG 8 1HH1 ARG 8 -1.696 -2.852 -7.364 489 HH12 ARG 8 2HH1 ARG 8 -1.474 -2.568 -9.058 490 HH21 ARG 8 2HH2 ARG 8 0.566 -2.937 -10.028 491 HH22 ARG 8 1HH2 ARG 8 1.895 -3.501 -9.071 492 H LYS 9 HN LYS 9 -1.555 -6.592 -5.133 493 HA LYS 9 HA LYS 9 -0.948 -8.862 -3.352 494 HB2 LYS 9 2HB LYS 9 -2.388 -10.249 -4.475 495 HB3 LYS 9 1HB LYS 9 -3.234 -8.721 -4.622 496 HG2 LYS 9 2HG LYS 9 -1.929 -8.585 -6.910 497 HG3 LYS 9 1HG LYS 9 -1.825 -10.330 -6.698 498 HD2 LYS 9 2HD LYS 9 -4.353 -8.689 -6.721 499 HD3 LYS 9 1HD LYS 9 -3.777 -9.733 -8.021 500 HE2 LYS 9 2HE LYS 9 -4.602 -10.592 -5.249 501 HE3 LYS 9 1HE LYS 9 -5.495 -10.867 -6.743 502 HZ1 LYS 9 3HZ LYS 9 -4.260 -12.830 -6.048 503 HZ2 LYS 9 1HZ LYS 9 -2.807 -11.967 -6.126 504 HZ3 LYS 9 2HZ LYS 9 -3.696 -12.256 -7.536 505 H ARG 10 HN ARG 10 1.080 -7.247 -4.563 506 HA ARG 10 HA ARG 10 2.201 -9.019 -6.604 507 HE ARG 10 HE ARG 10 5.521 -6.203 -7.085 508 HB2 ARG 10 2HB ARG 10 3.735 -7.291 -7.136 509 HB3 ARG 10 1HB ARG 10 2.177 -6.508 -6.917 510 HG2 ARG 10 2HG ARG 10 2.819 -5.750 -4.722 511 HG3 ARG 10 1HG ARG 10 4.344 -6.629 -4.831 512 HD2 ARG 10 2HD ARG 10 3.461 -4.280 -6.499 513 HD3 ARG 10 1HD ARG 10 4.768 -4.322 -5.316 514 HH11 ARG 10 1HH1 ARG 10 4.477 -2.901 -7.451 515 HH12 ARG 10 2HH1 ARG 10 5.421 -2.624 -8.877 516 HH21 ARG 10 2HH2 ARG 10 6.728 -4.300 -9.732 517 HH22 ARG 10 1HH2 ARG 10 6.771 -5.849 -8.959 518 H LYS 11 HN LYS 11 2.463 -8.221 -3.276 519 HA LYS 11 HA LYS 11 4.014 -8.669 -1.656 520 HB2 LYS 11 2HB LYS 11 4.504 -11.194 -1.609 521 HB3 LYS 11 1HB LYS 11 2.837 -10.658 -1.472 522 HG2 LYS 11 2HG LYS 11 3.937 -11.364 -4.154 523 HG3 LYS 11 1HG LYS 11 3.467 -12.642 -3.035 524 HD2 LYS 11 2HD LYS 11 1.226 -11.676 -2.868 525 HD3 LYS 11 1HD LYS 11 1.693 -10.390 -3.981 526 HE2 LYS 11 2HE LYS 11 1.668 -13.337 -4.620 527 HE3 LYS 11 1HE LYS 11 0.427 -12.179 -5.096 528 HZ1 LYS 11 3HZ LYS 11 2.081 -10.986 -6.387 529 HZ2 LYS 11 1HZ LYS 11 1.989 -12.599 -6.890 530 HZ3 LYS 11 2HZ LYS 11 3.279 -12.088 -5.923 531 H ALA 12 HN ALA 12 5.565 -7.299 -3.052 532 HA ALA 12 HA ALA 12 7.642 -8.363 -4.538 533 HB1 ALA 12 3HB ALA 12 7.250 -5.960 -4.270 534 HB2 ALA 12 1HB ALA 12 8.921 -6.383 -3.890 535 HB3 ALA 12 2HB ALA 12 7.774 -6.068 -2.587 536 H ASP 13 HN ASP 13 7.070 -8.421 -1.121 537 HA ASP 13 HA ASP 13 9.673 -9.703 -0.658 538 HB2 ASP 13 2HB ASP 13 9.322 -7.698 0.675 539 HB3 ASP 13 1HB ASP 13 7.779 -8.315 1.259 540 H SER 14 HN SER 14 7.557 -11.126 -1.861 541 HA SER 14 HA SER 14 5.951 -12.593 -0.121 542 HG SER 14 HG SER 14 7.190 -14.233 -3.591 543 HB2 SER 14 2HB SER 14 5.826 -14.270 -1.945 544 HB3 SER 14 1HB SER 14 5.595 -12.622 -2.532 Start of MODEL 19 1 H1 GLY 1 1H GLY 1 8.790 5.873 -7.316 2 H2 GLY 1 2H GLY 1 8.588 4.869 -5.971 3 H3 GLY 1 3H GLY 1 8.675 4.197 -7.519 4 HA2 GLY 1 1HA GLY 1 10.762 3.849 -6.395 5 HA3 GLY 1 2HA GLY 1 10.964 4.950 -7.748 6 H SER 2 HN SER 2 9.618 5.629 -4.521 7 HA SER 2 HA SER 2 11.879 6.796 -3.391 8 HG SER 2 HG SER 2 9.931 9.870 -5.182 9 HB2 SER 2 2HB SER 2 11.445 9.187 -3.696 10 HB3 SER 2 1HB SER 2 11.786 8.387 -5.227 11 H GLN 3 HN GLN 3 8.382 6.724 -3.628 12 HA GLN 3 HA GLN 3 8.076 7.776 -0.950 13 HB2 GLN 3 2HB GLN 3 6.091 6.738 -2.940 14 HB3 GLN 3 1HB GLN 3 5.646 7.336 -1.353 15 HG2 GLN 3 2HG GLN 3 6.685 9.515 -1.972 16 HG3 GLN 3 1HG GLN 3 6.902 8.885 -3.604 17 HE21 GLN 3 2HE2 GLN 3 3.136 8.577 -3.729 18 HE22 GLN 3 1HE2 GLN 3 4.390 7.402 -3.569 19 H VAL 4 HN VAL 4 7.608 6.584 0.850 20 HA VAL 4 HA VAL 4 8.120 3.735 0.621 21 HB VAL 4 HB VAL 4 9.314 5.024 2.331 22 HG11 VAL 4 1HG1 VAL 4 6.809 5.272 3.940 23 HG12 VAL 4 2HG1 VAL 4 7.217 6.508 2.752 24 HG13 VAL 4 3HG1 VAL 4 8.326 6.158 4.077 25 HG21 VAL 4 3HG2 VAL 4 8.692 3.526 4.291 26 HG22 VAL 4 1HG2 VAL 4 9.146 2.728 2.784 27 HG23 VAL 4 2HG2 VAL 4 7.448 2.857 3.236 28 H PHE 5 HN PHE 5 5.988 3.451 -0.491 29 HA PHE 5 HA PHE 5 4.210 2.004 0.958 30 1HB PHE 5 2HB PHE 5 2.257 3.668 1.142 31 2HB PHE 5 1HB PHE 5 3.513 3.751 2.367 32 HD1 PHE 5 HD1 PHE 5 3.347 4.721 3.042 33 HD2 PHE 5 HD2 PHE 5 3.955 5.989 -0.974 34 HE1 PHE 5 HE1 PHE 5 5.782 4.614 3.381 35 HE2 PHE 5 HE2 PHE 5 6.390 5.882 -0.643 36 HZ PHE 5 HZ PHE 5 3.994 9.105 0.214 37 H GLU 6 HN GLU 6 1.851 2.085 -0.056 38 HA GLU 6 HA GLU 6 1.784 2.894 -2.827 39 HB2 GLU 6 2HB GLU 6 2.930 0.736 -2.989 40 HB3 GLU 6 1HB GLU 6 1.649 -0.033 -2.061 41 HG2 GLU 6 2HG GLU 6 1.357 -0.535 -4.385 42 HG3 GLU 6 1HG GLU 6 0.058 0.536 -3.860 43 H TYR 7 HN TYR 7 -0.358 2.994 -3.628 44 HA TYR 7 HA TYR 7 -2.364 2.887 -1.541 45 HD1 TYR 7 HD1 TYR 7 -0.581 4.993 -2.043 46 HD2 TYR 7 HD2 TYR 7 -2.695 5.251 -5.725 47 HE1 TYR 7 HE1 TYR 7 1.040 6.653 -2.849 48 HE2 TYR 7 HE2 TYR 7 -1.073 6.907 -6.544 49 HH TYR 7 HH TYR 7 1.874 7.551 -4.928 50 HB2 TYR 7 2HB TYR 7 -3.335 3.643 -4.179 51 HB3 TYR 7 1HB TYR 7 -3.434 4.491 -2.647 52 H ALA 8 HN ALA 8 -3.271 1.032 -1.158 53 HA ALA 8 HA ALA 8 -3.742 -0.843 -3.349 54 HB1 ALA 8 3HB ALA 8 -2.807 -1.957 -1.528 55 HB2 ALA 8 1HB ALA 8 -4.529 -2.304 -1.386 56 HB3 ALA 8 2HB ALA 8 -3.792 -1.077 -0.356 57 H GLU 9 HN GLU 9 -5.310 1.613 -3.203 58 HA GLU 9 HA GLU 9 -7.937 0.576 -2.440 59 1HB GLU 9 2HB GLU 9 -8.670 2.734 -2.134 60 2HB GLU 9 1HB GLU 9 -7.013 2.791 -1.584 61 1HG GLU 9 2HG GLU 9 -8.056 3.728 -4.243 62 2HG GLU 9 1HG GLU 9 -7.595 4.752 -2.887 63 H VAL 10 HN VAL 10 -9.732 1.604 -3.688 64 HA VAL 10 HA VAL 10 -9.208 0.929 -6.438 65 HB VAL 10 HB VAL 10 -11.808 0.751 -5.023 66 HG11 VAL 10 1HG1 VAL 10 -10.955 -0.463 -7.640 67 HG12 VAL 10 2HG1 VAL 10 -11.924 1.002 -7.486 68 HG13 VAL 10 3HG1 VAL 10 -12.559 -0.539 -6.913 69 HG21 VAL 10 3HG2 VAL 10 -11.258 -1.774 -5.246 70 HG22 VAL 10 1HG2 VAL 10 -10.540 -0.839 -3.931 71 HG23 VAL 10 2HG2 VAL 10 -9.594 -1.210 -5.372 72 H ASP 11 HN ASP 11 -10.169 3.453 -4.424 73 HA ASP 11 HA ASP 11 -10.562 5.155 -6.741 74 HB2 ASP 11 2HB ASP 11 -12.835 4.318 -6.152 75 HB3 ASP 11 1HB ASP 11 -12.647 5.030 -4.555 76 H GLU 12 HN GLU 12 -10.433 4.893 -3.222 77 HA GLU 12 HA GLU 12 -8.735 7.238 -3.085 78 HB2 GLU 12 2HB GLU 12 -11.489 7.204 -1.859 79 HB3 GLU 12 1HB GLU 12 -10.222 8.303 -1.325 80 HG2 GLU 12 2HG GLU 12 -10.090 9.225 -3.602 81 HG3 GLU 12 1HG GLU 12 -11.407 8.157 -4.089 82 H ILE 13 HN ILE 13 -8.050 7.673 -0.764 83 HA ILE 13 HA ILE 13 -8.260 5.316 0.968 84 HB ILE 13 HB ILE 13 -5.877 5.119 1.341 85 HG12 ILE 13 2HG1 ILE 13 -5.367 7.567 1.146 86 HG13 ILE 13 1HG1 ILE 13 -4.240 6.554 0.245 87 HG21 ILE 13 1HG2 ILE 13 -5.615 5.345 -1.541 88 HG22 ILE 13 2HG2 ILE 13 -7.104 4.558 -1.044 89 HG23 ILE 13 3HG2 ILE 13 -5.560 3.923 -0.501 90 HD11 ILE 13 3HD1 ILE 13 -5.951 7.033 -1.713 91 HD12 ILE 13 1HD1 ILE 13 -4.644 8.152 -1.315 92 HD13 ILE 13 2HD1 ILE 13 -6.278 8.464 -0.733 93 H VAL 14 HN VAL 14 -6.552 6.091 2.977 94 HA VAL 14 HA VAL 14 -7.039 8.875 3.633 95 HB VAL 14 HB VAL 14 -8.170 6.648 5.339 96 HG11 VAL 14 1HG1 VAL 14 -8.025 9.610 5.903 97 HG12 VAL 14 2HG1 VAL 14 -7.114 8.350 6.736 98 HG13 VAL 14 3HG1 VAL 14 -8.870 8.414 6.886 99 HG21 VAL 14 3HG2 VAL 14 -9.560 8.991 4.046 100 HG22 VAL 14 1HG2 VAL 14 -10.310 7.668 4.938 101 HG23 VAL 14 2HG2 VAL 14 -9.535 7.358 3.386 102 H GLU 15 HN GLU 15 -6.069 5.796 5.121 103 HA GLU 15 HA GLU 15 -3.837 7.134 6.439 104 HB2 GLU 15 2HB GLU 15 -4.823 4.276 6.580 105 HB3 GLU 15 1HB GLU 15 -3.466 4.907 7.503 106 HG2 GLU 15 2HG GLU 15 -6.318 5.853 7.696 107 HG3 GLU 15 1HG GLU 15 -5.498 4.793 8.841 108 H LYS 16 HN LYS 16 -1.732 6.934 5.788 109 HA LYS 16 HA LYS 16 -1.021 4.854 3.874 110 HB2 LYS 16 2HB LYS 16 0.017 6.641 2.373 111 HB3 LYS 16 1HB LYS 16 -1.732 6.478 2.318 112 HG2 LYS 16 2HG LYS 16 -1.895 8.389 3.900 113 HG3 LYS 16 1HG LYS 16 -0.146 8.588 3.766 114 HD2 LYS 16 2HD LYS 16 -0.380 8.940 1.349 115 HD3 LYS 16 1HD LYS 16 -2.129 8.758 1.497 116 HE2 LYS 16 2HE LYS 16 -0.427 10.905 2.759 117 HE3 LYS 16 1HE LYS 16 -1.541 11.106 1.408 118 HZ1 LYS 16 3HZ LYS 16 -3.367 10.504 2.878 119 HZ2 LYS 16 1HZ LYS 16 -2.533 11.851 3.473 120 HZ3 LYS 16 2HZ LYS 16 -2.296 10.330 4.174 121 H ARG 17 HN ARG 17 0.441 4.128 5.525 122 HA ARG 17 HA ARG 17 2.941 5.580 5.609 123 HE ARG 17 HE ARG 17 0.593 9.327 7.109 124 HB2 ARG 17 2HB ARG 17 1.361 5.120 8.144 125 HB3 ARG 17 1HB ARG 17 3.068 5.535 8.115 126 HG2 ARG 17 2HG ARG 17 2.276 7.620 8.358 127 HG3 ARG 17 1HG ARG 17 2.095 7.530 6.607 128 HD2 ARG 17 2HD ARG 17 -0.246 6.675 7.020 129 HD3 ARG 17 1HD ARG 17 -0.013 7.100 8.713 130 HH11 ARG 17 1HH1 ARG 17 -2.126 7.410 8.139 131 HH12 ARG 17 2HH1 ARG 17 -3.261 8.712 8.004 132 HH21 ARG 17 2HH2 ARG 17 -2.559 10.781 7.315 133 HH22 ARG 17 1HH2 ARG 17 -0.893 11.049 6.928 134 H GLY 18 HN GLY 18 3.951 3.759 4.690 135 HA2 GLY 18 2HA GLY 18 4.392 1.606 6.601 136 HA3 GLY 18 1HA GLY 18 3.646 1.145 5.088 137 H LYS 19 HN LYS 19 5.039 0.137 3.904 138 HA LYS 19 HA LYS 19 7.829 1.017 3.783 139 HB2 LYS 19 2HB LYS 19 6.459 -1.597 3.510 140 HB3 LYS 19 1HB LYS 19 8.025 -1.366 2.745 141 HG2 LYS 19 2HG LYS 19 9.049 -0.887 4.861 142 HG3 LYS 19 1HG LYS 19 7.478 -0.912 5.669 143 HD2 LYS 19 2HD LYS 19 7.226 -3.271 5.014 144 HD3 LYS 19 1HD LYS 19 8.843 -3.229 4.318 145 HE2 LYS 19 2HE LYS 19 9.786 -2.701 6.498 146 HE3 LYS 19 1HE LYS 19 8.170 -2.680 7.204 147 HZ1 LYS 19 3HZ LYS 19 9.305 -4.770 7.630 148 HZ2 LYS 19 1HZ LYS 19 9.481 -5.042 5.970 149 HZ3 LYS 19 2HZ LYS 19 7.939 -5.019 6.665 150 H GLY 20 HN GLY 20 5.848 -0.876 1.702 151 HA2 GLY 20 2HA GLY 20 5.838 1.053 -0.446 152 HA3 GLY 20 1HA GLY 20 6.671 -0.472 -0.749 153 H LYS 21 HN LYS 21 5.342 -2.231 0.562 154 HA LYS 21 HA LYS 21 2.546 -2.097 -0.332 155 HB2 LYS 21 2HB LYS 21 4.556 -3.909 -1.157 156 HB3 LYS 21 1HB LYS 21 3.454 -4.811 -0.125 157 HG2 LYS 21 2HG LYS 21 1.603 -3.750 -1.551 158 HG3 LYS 21 1HG LYS 21 2.897 -3.396 -2.697 159 HD2 LYS 21 2HD LYS 21 1.964 -5.470 -3.363 160 HD3 LYS 21 1HD LYS 21 3.501 -5.846 -2.580 161 HE2 LYS 21 2HE LYS 21 2.276 -6.333 -0.492 162 HE3 LYS 21 1HE LYS 21 0.758 -6.041 -1.339 163 HZ1 LYS 21 3HZ LYS 21 1.365 -7.856 -2.869 164 HZ2 LYS 21 1HZ LYS 21 1.191 -8.381 -1.269 165 HZ3 LYS 21 2HZ LYS 21 2.733 -8.174 -1.930 166 H ASP 22 HN ASP 22 4.678 -2.413 2.293 167 HA ASP 22 HA ASP 22 2.960 -3.983 3.939 168 HB2 ASP 22 2HB ASP 22 5.513 -3.913 4.083 169 HB3 ASP 22 1HB ASP 22 5.305 -2.351 4.851 170 H VAL 23 HN VAL 23 2.586 -1.068 2.837 171 HA VAL 23 HA VAL 23 1.916 0.336 5.256 172 HB VAL 23 HB VAL 23 2.942 1.500 3.355 173 HG11 VAL 23 1HG1 VAL 23 0.872 1.844 1.562 174 HG12 VAL 23 2HG1 VAL 23 0.823 0.124 1.938 175 HG13 VAL 23 3HG1 VAL 23 2.308 0.850 1.329 176 HG21 VAL 23 3HG2 VAL 23 0.155 2.547 3.559 177 HG22 VAL 23 1HG2 VAL 23 1.687 3.423 3.580 178 HG23 VAL 23 2HG2 VAL 23 1.186 2.485 4.989 179 H GLU 24 HN GLU 24 -0.203 1.235 5.565 180 HA GLU 24 HA GLU 24 -2.294 -0.553 4.527 181 HB2 GLU 24 2HB GLU 24 -3.595 0.156 6.559 182 HB3 GLU 24 1HB GLU 24 -2.175 -0.827 6.876 183 HG2 GLU 24 2HG GLU 24 -0.919 1.178 7.481 184 HG3 GLU 24 1HG GLU 24 -2.346 2.164 7.163 185 H TYR 25 HN TYR 25 -3.528 0.348 3.066 186 HA TYR 25 HA TYR 25 -4.079 3.215 3.190 187 HD1 TYR 25 HD1 TYR 25 -3.775 4.631 -0.218 188 HD2 TYR 25 HD2 TYR 25 -1.308 2.194 2.235 189 HE1 TYR 25 HE1 TYR 25 -1.898 6.165 -0.579 190 HE2 TYR 25 HE2 TYR 25 0.574 3.730 1.891 191 HH TYR 25 HH TYR 25 1.312 5.419 0.327 192 HB2 TYR 25 2HB TYR 25 -3.529 1.378 0.918 193 HB3 TYR 25 1HB TYR 25 -4.660 2.701 0.657 194 H LEU 26 HN LEU 26 -6.211 3.889 2.735 195 HA LEU 26 HA LEU 26 -8.221 1.881 3.353 196 HG LEU 26 HG LEU 26 -10.574 3.560 2.793 197 HB2 LEU 26 2HB LEU 26 -8.253 3.980 4.641 198 HB3 LEU 26 1HB LEU 26 -8.406 4.898 3.154 199 HD11 LEU 26 1HD1 LEU 26 -9.834 2.102 4.853 200 HD12 LEU 26 2HD1 LEU 26 -11.529 2.400 4.481 201 HD13 LEU 26 3HD1 LEU 26 -10.721 3.343 5.736 202 HD21 LEU 26 3HD2 LEU 26 -10.737 5.870 3.184 203 HD22 LEU 26 1HD2 LEU 26 -10.233 5.698 4.866 204 HD23 LEU 26 2HD2 LEU 26 -11.817 5.116 4.355 205 H VAL 27 HN VAL 27 -10.215 1.851 2.002 206 HA VAL 27 HA VAL 27 -9.739 2.911 -0.648 207 HB VAL 27 HB VAL 27 -9.472 1.085 -1.782 208 HG11 VAL 27 1HG1 VAL 27 -8.641 0.129 0.932 209 HG12 VAL 27 2HG1 VAL 27 -7.649 0.957 -0.268 210 HG13 VAL 27 3HG1 VAL 27 -8.208 -0.690 -0.567 211 HG21 VAL 27 3HG2 VAL 27 -11.656 0.093 -1.381 212 HG22 VAL 27 1HG2 VAL 27 -11.096 -0.539 0.168 213 HG23 VAL 27 2HG2 VAL 27 -10.404 -1.149 -1.335 214 H ARG 28 HN ARG 28 -11.384 4.065 -1.109 215 HA ARG 28 HA ARG 28 -14.061 3.269 -0.348 216 HE ARG 28 HE ARG 28 -12.387 7.891 1.369 217 HB2 ARG 28 2HB ARG 28 -13.335 5.465 -2.257 218 HB3 ARG 28 1HB ARG 28 -14.787 5.330 -1.281 219 HG2 ARG 28 2HG ARG 28 -13.361 5.644 0.745 220 HG3 ARG 28 1HG ARG 28 -12.011 5.996 -0.335 221 HD2 ARG 28 2HD ARG 28 -13.221 7.873 -1.281 222 HD3 ARG 28 1HD ARG 28 -14.628 7.494 -0.288 223 HH11 ARG 28 1HH1 ARG 28 -14.571 9.654 -0.690 224 HH12 ARG 28 2HH1 ARG 28 -14.422 11.133 0.198 225 HH21 ARG 28 2HH2 ARG 28 -13.063 11.237 2.039 226 HH22 ARG 28 1HH2 ARG 28 -12.182 9.835 2.549 227 H TRP 29 HN TRP 29 -13.602 1.257 -1.398 228 HA TRP 29 HA TRP 29 -13.058 0.408 -3.779 229 HD1 TRP 29 HD1 TRP 29 -13.050 -1.088 -5.107 230 HE1 TRP 29 HE1 TRP 29 -13.077 -3.556 -5.844 231 HE3 TRP 29 HE3 TRP 29 -16.341 -2.932 -1.657 232 HZ2 TRP 29 HZ2 TRP 29 -14.328 -5.965 -5.064 233 HZ3 TRP 29 HZ3 TRP 29 -16.902 -5.329 -1.722 234 HH2 TRP 29 HH2 TRP 29 -15.916 -6.812 -3.392 235 HB2 TRP 29 2HB TRP 29 -14.447 -0.645 -1.816 236 HB3 TRP 29 1HB TRP 29 -15.806 -0.327 -2.885 237 H LYS 30 HN LYS 30 -13.127 2.016 -5.284 238 HA LYS 30 HA LYS 30 -14.891 3.665 -6.329 239 HB2 LYS 30 2HB LYS 30 -12.792 2.928 -7.464 240 HB3 LYS 30 1HB LYS 30 -13.671 1.554 -8.109 241 HG2 LYS 30 2HG LYS 30 -15.126 3.016 -9.355 242 HG3 LYS 30 1HG LYS 30 -14.364 4.435 -8.633 243 HD2 LYS 30 2HD LYS 30 -12.222 3.777 -9.664 244 HD3 LYS 30 1HD LYS 30 -13.032 2.408 -10.429 245 HE2 LYS 30 2HE LYS 30 -13.684 5.321 -10.865 246 HE3 LYS 30 1HE LYS 30 -12.790 4.284 -11.977 247 HZ1 LYS 30 3HZ LYS 30 -15.104 4.500 -12.630 248 HZ2 LYS 30 1HZ LYS 30 -15.611 3.885 -11.137 249 HZ3 LYS 30 2HZ LYS 30 -14.753 2.899 -12.210 250 H ASP 31 HN ASP 31 -15.363 0.177 -6.550 251 HA ASP 31 HA ASP 31 -18.049 0.646 -7.668 252 HB2 ASP 31 2HB ASP 31 -16.323 -1.841 -7.760 253 HB3 ASP 31 1HB ASP 31 -17.964 -1.731 -8.393 254 H GLY 32 HN GLY 32 -18.021 1.202 -5.116 255 HA2 GLY 32 2HA GLY 32 -19.443 -1.032 -3.888 256 HA3 GLY 32 1HA GLY 32 -18.022 -0.432 -3.038 257 H GLY 33 HN GLY 33 -19.562 -0.020 -1.307 258 HA2 GLY 33 2HA GLY 33 -20.970 2.546 -1.716 259 HA3 GLY 33 1HA GLY 33 -21.590 1.277 -0.669 260 H ASP 34 HN ASP 34 -19.127 0.558 0.550 261 HA ASP 34 HA ASP 34 -18.605 2.976 2.148 262 HB2 ASP 34 2HB ASP 34 -18.509 0.071 2.995 263 HB3 ASP 34 1HB ASP 34 -18.119 1.443 4.028 264 H CYS 35 HN CYS 35 -16.415 2.642 3.420 265 HA CYS 35 HA CYS 35 -14.388 1.654 1.522 266 HG CYS 35 HG CYS 35 -15.072 5.731 3.262 267 HB2 CYS 35 2HB CYS 35 -12.956 3.564 2.150 268 HB3 CYS 35 1HB CYS 35 -14.459 4.089 1.400 269 H GLU 36 HN GLU 36 -12.888 0.330 2.368 270 HA GLU 36 HA GLU 36 -12.725 0.151 5.299 271 HB2 GLU 36 2HB GLU 36 -12.618 -1.962 3.172 272 HB3 GLU 36 1HB GLU 36 -11.916 -2.227 4.760 273 HG2 GLU 36 2HG GLU 36 -14.793 -1.565 4.176 274 HG3 GLU 36 1HG GLU 36 -14.158 -3.144 4.635 275 H TRP 37 HN TRP 37 -10.656 -0.751 6.100 276 HA TRP 37 HA TRP 37 -8.434 0.661 4.890 277 HD1 TRP 37 HD1 TRP 37 -8.506 2.675 6.092 278 HE1 TRP 37 HE1 TRP 37 -9.578 4.223 7.848 279 HE3 TRP 37 HE3 TRP 37 -9.380 -0.763 9.764 280 HZ2 TRP 37 HZ2 TRP 37 -10.652 4.008 10.453 281 HZ3 TRP 37 HZ3 TRP 37 -10.431 -0.014 11.859 282 HH2 TRP 37 HH2 TRP 37 -11.052 2.322 12.195 283 HB2 TRP 37 2HB TRP 37 -8.630 -0.939 7.452 284 HB3 TRP 37 1HB TRP 37 -7.212 -0.032 6.942 285 H VAL 38 HN VAL 38 -6.646 -0.240 3.994 286 HA VAL 38 HA VAL 38 -6.811 -3.057 3.290 287 HB VAL 38 HB VAL 38 -4.770 -0.972 2.508 288 HG11 VAL 38 1HG1 VAL 38 -4.155 -2.630 0.751 289 HG12 VAL 38 2HG1 VAL 38 -5.149 -3.814 1.589 290 HG13 VAL 38 3HG1 VAL 38 -3.736 -3.122 2.384 291 HG21 VAL 38 3HG2 VAL 38 -6.639 -2.143 0.550 292 HG22 VAL 38 1HG2 VAL 38 -5.997 -0.506 0.664 293 HG23 VAL 38 2HG2 VAL 38 -7.319 -1.013 1.717 294 H LYS 39 HN LYS 39 -4.915 -4.474 3.517 295 HA LYS 39 HA LYS 39 -3.954 -4.367 6.196 296 HB2 LYS 39 2HB LYS 39 -4.622 -6.490 5.234 297 HB3 LYS 39 1HB LYS 39 -3.394 -6.333 3.985 298 HG2 LYS 39 2HG LYS 39 -1.642 -6.499 5.651 299 HG3 LYS 39 1HG LYS 39 -2.850 -6.578 6.936 300 HD2 LYS 39 2HD LYS 39 -2.644 -8.569 4.681 301 HD3 LYS 39 1HD LYS 39 -1.906 -8.794 6.268 302 HE2 LYS 39 2HE LYS 39 -4.120 -8.628 7.310 303 HE3 LYS 39 1HE LYS 39 -4.850 -8.427 5.716 304 HZ1 LYS 39 3HZ LYS 39 -3.322 -10.815 6.603 305 HZ2 LYS 39 1HZ LYS 39 -4.094 -10.623 5.110 306 HZ3 LYS 39 2HZ LYS 39 -5.008 -10.712 6.530 307 H GLY 40 HN GLY 40 -2.430 -3.051 6.747 308 HA2 GLY 40 2HA GLY 40 -0.181 -2.516 4.999 309 HA3 GLY 40 1HA GLY 40 -0.508 -1.738 6.538 310 H VAL 41 HN VAL 41 -0.218 -5.172 5.743 311 HA VAL 41 HA VAL 41 2.084 -5.343 7.578 312 HB VAL 41 HB VAL 41 0.361 -7.702 6.924 313 HG11 VAL 41 1HG1 VAL 41 2.060 -6.975 9.304 314 HG12 VAL 41 2HG1 VAL 41 2.480 -8.111 8.021 315 HG13 VAL 41 3HG1 VAL 41 1.147 -8.473 9.118 316 HG21 VAL 41 3HG2 VAL 41 -1.018 -7.273 8.890 317 HG22 VAL 41 1HG2 VAL 41 -1.179 -5.964 7.719 318 HG23 VAL 41 2HG2 VAL 41 -0.182 -5.743 9.157 319 H HIS 42 HN HIS 42 1.166 -5.485 4.393 320 HA HIS 42 HA HIS 42 2.594 -7.705 3.447 321 HD1 HIS 42 HD1 HIS 42 -0.740 -6.495 0.917 322 HD2 HIS 42 HD2 HIS 42 2.399 -9.135 1.583 323 HE1 HIS 42 HE1 HIS 42 -1.512 -8.703 -0.006 324 HE2 HIS 42 HE2 HIS 42 0.375 -10.302 0.474 325 HB2 HIS 42 2HB HIS 42 1.044 -5.515 2.364 326 HB3 HIS 42 1HB HIS 42 2.474 -5.838 1.373 327 H VAL 43 HN VAL 43 4.392 -7.538 4.687 328 HA VAL 43 HA VAL 43 6.271 -5.520 4.729 329 HB VAL 43 HB VAL 43 6.370 -7.324 6.289 330 HG11 VAL 43 1HG1 VAL 43 7.031 -9.574 5.680 331 HG12 VAL 43 2HG1 VAL 43 7.147 -9.105 3.985 332 HG13 VAL 43 3HG1 VAL 43 5.581 -9.102 4.796 333 HG21 VAL 43 3HG2 VAL 43 8.528 -6.864 6.530 334 HG22 VAL 43 1HG2 VAL 43 8.634 -6.391 4.833 335 HG23 VAL 43 2HG2 VAL 43 8.911 -8.068 5.301 336 H ALA 44 HN ALA 44 6.076 -4.852 2.469 337 HA ALA 44 HA ALA 44 7.826 -6.268 0.643 338 HB1 ALA 44 3HB ALA 44 6.753 -5.218 -1.031 339 HB2 ALA 44 1HB ALA 44 6.747 -3.670 -0.182 340 HB3 ALA 44 2HB ALA 44 5.542 -4.895 0.206 341 H GLU 45 HN GLU 45 9.209 -5.543 2.753 342 HA GLU 45 HA GLU 45 10.320 -3.075 3.085 343 HB2 GLU 45 2HB GLU 45 10.898 -4.947 4.513 344 HB3 GLU 45 1HB GLU 45 11.718 -5.751 3.182 345 HG2 GLU 45 2HG GLU 45 13.371 -3.948 3.117 346 HG3 GLU 45 1HG GLU 45 12.553 -3.159 4.465 347 H ASP 46 HN ASP 46 10.776 -5.232 0.435 348 HA ASP 46 HA ASP 46 13.162 -4.051 -0.609 349 HB2 ASP 46 2HB ASP 46 12.475 -6.322 -1.234 350 HB3 ASP 46 1HB ASP 46 11.026 -5.681 -2.000 351 H VAL 47 HN VAL 47 9.709 -3.694 -1.336 352 HA VAL 47 HA VAL 47 9.919 -1.862 -3.417 353 HB VAL 47 HB VAL 47 7.764 -1.912 -1.317 354 HG11 VAL 47 1HG1 VAL 47 7.160 -1.357 -4.148 355 HG12 VAL 47 2HG1 VAL 47 8.095 -0.121 -3.308 356 HG13 VAL 47 3HG1 VAL 47 6.517 -0.607 -2.685 357 HG21 VAL 47 3HG2 VAL 47 8.175 -3.631 -3.744 358 HG22 VAL 47 1HG2 VAL 47 6.605 -3.435 -2.963 359 HG23 VAL 47 2HG2 VAL 47 7.953 -4.134 -2.069 360 H ALA 48 HN ALA 48 10.060 -1.465 0.002 361 HA ALA 48 HA ALA 48 10.070 1.394 0.136 362 HB1 ALA 48 3HB ALA 48 9.208 -0.050 1.954 363 HB2 ALA 48 1HB ALA 48 10.445 1.088 2.484 364 HB3 ALA 48 2HB ALA 48 10.855 -0.609 2.239 365 H LYS 49 HN LYS 49 12.468 -1.095 0.998 366 HA LYS 49 HA LYS 49 14.649 0.606 1.262 367 HB2 LYS 49 2HB LYS 49 14.715 -1.729 1.990 368 HB3 LYS 49 1HB LYS 49 14.605 -2.272 0.321 369 HG2 LYS 49 2HG LYS 49 16.772 -1.293 -0.165 370 HG3 LYS 49 1HG LYS 49 16.879 -0.678 1.485 371 HD2 LYS 49 2HD LYS 49 18.179 -2.729 1.227 372 HD3 LYS 49 1HD LYS 49 16.833 -2.971 2.343 373 HE2 LYS 49 2HE LYS 49 17.054 -4.866 0.832 374 HE3 LYS 49 1HE LYS 49 15.537 -4.014 0.548 375 HZ1 LYS 49 3HZ LYS 49 18.009 -3.705 -1.072 376 HZ2 LYS 49 1HZ LYS 49 16.534 -2.925 -1.355 377 HZ3 LYS 49 2HZ LYS 49 16.649 -4.604 -1.523 378 H ASP 50 HN ASP 50 13.113 -0.741 -1.554 379 HA ASP 50 HA ASP 50 15.197 0.323 -3.277 380 HB2 ASP 50 2HB ASP 50 14.381 -0.999 -4.983 381 HB3 ASP 50 1HB ASP 50 14.040 -1.969 -3.557 382 H TYR 51 HN TYR 51 12.069 1.163 -2.091 383 HA TYR 51 HA TYR 51 11.281 2.878 -4.161 384 HD1 TYR 51 HD1 TYR 51 9.637 3.607 -4.835 385 HD2 TYR 51 HD2 TYR 51 8.096 1.822 -1.294 386 HE1 TYR 51 HE1 TYR 51 7.536 3.103 -6.009 387 HE2 TYR 51 HE2 TYR 51 5.989 1.321 -2.456 388 HH TYR 51 HH TYR 51 4.716 2.172 -4.416 389 HB2 TYR 51 2HB TYR 51 10.422 2.364 -1.461 390 HB3 TYR 51 1HB TYR 51 10.258 4.048 -1.871 391 H GLU 52 HN GLU 52 12.417 3.586 -0.940 392 HA GLU 52 HA GLU 52 13.206 6.250 -1.624 393 HB2 GLU 52 2HB GLU 52 13.634 4.787 0.976 394 HB3 GLU 52 1HB GLU 52 13.731 6.522 0.719 395 HG2 GLU 52 2HG GLU 52 11.345 6.569 0.195 396 HG3 GLU 52 1HG GLU 52 11.253 4.833 0.480 397 H ASP 53 HN ASP 53 14.908 3.661 0.063 398 HA ASP 53 HA ASP 53 17.487 4.631 -0.288 399 HB2 ASP 53 2HB ASP 53 16.207 2.160 0.597 400 HB3 ASP 53 1HB ASP 53 17.789 1.889 -0.139 401 H GLY 54 HN GLY 54 15.624 2.351 -2.276 402 HA2 GLY 54 2HA GLY 54 17.599 1.551 -4.043 403 HA3 GLY 54 1HA GLY 54 15.903 1.712 -4.469 404 H LEU 55 HN LEU 55 15.669 4.508 -4.086 405 HA LEU 55 HA LEU 55 16.897 5.411 -6.548 406 HG LEU 55 HG LEU 55 16.257 8.463 -5.892 407 HB2 LEU 55 2HB LEU 55 14.573 5.966 -6.147 408 HB3 LEU 55 1HB LEU 55 14.986 6.750 -4.634 409 HD11 LEU 55 1HD1 LEU 55 15.096 7.115 -8.326 410 HD12 LEU 55 2HD1 LEU 55 16.795 7.096 -7.855 411 HD13 LEU 55 3HD1 LEU 55 16.021 8.616 -8.302 412 HD21 LEU 55 3HD2 LEU 55 13.921 8.837 -5.250 413 HD22 LEU 55 1HD2 LEU 55 13.393 8.138 -6.780 414 HD23 LEU 55 2HD2 LEU 55 14.319 9.639 -6.768 415 H GLU 56 HN GLU 56 16.705 6.708 -3.228 416 HA GLU 56 HA GLU 56 19.091 8.295 -3.705 417 HB2 GLU 56 2HB GLU 56 17.307 8.110 -1.287 418 HB3 GLU 56 1HB GLU 56 18.643 9.234 -1.468 419 HG2 GLU 56 2HG GLU 56 17.512 10.272 -3.366 420 HG3 GLU 56 1HG GLU 56 16.169 9.144 -3.181 421 H TYR 57 HN TYR 57 20.050 5.967 -3.966 422 HA TYR 57 HA TYR 57 20.773 4.686 -1.480 423 HD1 TYR 57 HD1 TYR 57 20.932 1.697 -1.712 424 HD2 TYR 57 HD2 TYR 57 23.987 3.696 -3.898 425 HE1 TYR 57 HE1 TYR 57 22.574 0.053 -0.909 426 HE2 TYR 57 HE2 TYR 57 25.638 2.055 -3.101 427 HH TYR 57 HH TYR 57 24.765 -0.850 -1.600 428 HB2 TYR 57 2HB TYR 57 20.383 3.315 -3.457 429 HB3 TYR 57 1HB TYR 57 21.654 4.168 -4.327 430 HA ALA 1 HA ALA 1 -11.069 -7.505 6.079 431 H1 ALA 1 1H ALA 1 -8.591 -5.936 5.658 432 H2 ALA 1 2H ALA 1 -8.682 -7.610 5.890 433 H3 ALA 1 3H ALA 1 -9.125 -6.557 7.139 434 HB1 ALA 1 3HB ALA 1 -10.709 -4.562 5.527 435 HB2 ALA 1 1HB ALA 1 -11.205 -5.275 7.063 436 HB3 ALA 1 2HB ALA 1 -12.249 -5.414 5.648 437 HA PRO 2 HA PRO 2 -9.365 -8.078 1.715 438 HB2 PRO 2 1HB PRO 2 -9.398 -10.329 1.665 439 HB3 PRO 2 2HB PRO 2 -11.160 -10.306 1.631 440 HG2 PRO 2 2HG PRO 2 -11.324 -10.708 3.865 441 HG3 PRO 2 1HG PRO 2 -9.648 -11.260 3.727 442 HD2 PRO 2 2HD PRO 2 -10.375 -9.259 5.385 443 HD3 PRO 2 1HD PRO 2 -8.795 -9.289 4.573 444 HA PRO 3 HA PRO 3 -13.985 -8.024 0.237 445 HB2 PRO 3 1HB PRO 3 -15.396 -9.302 1.498 446 HB3 PRO 3 2HB PRO 3 -15.867 -7.761 2.222 447 HG2 PRO 3 2HG PRO 3 -14.502 -8.061 4.066 448 HG3 PRO 3 1HG PRO 3 -14.899 -9.753 3.717 449 HD2 PRO 3 2HD PRO 3 -12.359 -8.901 3.883 450 HD3 PRO 3 1HD PRO 3 -12.845 -10.166 2.737 451 H GLY 4 HN GLY 4 -13.198 -5.976 -0.384 452 HA2 GLY 4 2HA GLY 4 -14.442 -3.755 -0.327 453 HA3 GLY 4 1HA GLY 4 -13.985 -3.737 1.371 454 H THR 5 HN THR 5 -11.377 -4.713 1.160 455 HA THR 5 HA THR 5 -10.030 -2.349 0.154 456 HB THR 5 HB THR 5 -8.118 -3.085 1.372 457 HG1 THR 5 HG1 THR 5 -8.947 -3.655 1.810 458 1HG2 THR 5 1HG2 THR 5 -6.508 -5.970 0.440 459 2HG2 THR 5 2HG2 THR 5 -8.167 -5.604 -0.034 460 3HG2 THR 5 3HG2 THR 5 -7.822 -7.036 0.935 461 H ALA 6 HN ALA 6 -7.790 -2.766 -0.865 462 HA ALA 6 HA ALA 6 -7.815 -5.042 -2.702 463 HB1 ALA 6 3HB ALA 6 -8.929 -3.212 -3.885 464 HB2 ALA 6 1HB ALA 6 -7.388 -3.628 -4.636 465 HB3 ALA 6 2HB ALA 6 -7.518 -2.188 -3.628 466 H ARG 7 HN ARG 7 -6.137 -5.174 -0.710 467 HA ARG 7 HA ARG 7 -3.724 -3.858 -0.669 468 HE ARG 7 HE ARG 7 -5.067 -9.671 -0.356 469 HB2 ARG 7 2HB ARG 7 -2.770 -5.940 0.259 470 HB3 ARG 7 1HB ARG 7 -4.315 -5.525 0.988 471 HG2 ARG 7 2HG ARG 7 -5.421 -7.153 -0.491 472 HG3 ARG 7 1HG ARG 7 -3.842 -7.604 -1.138 473 HD2 ARG 7 2HD ARG 7 -3.131 -8.284 1.110 474 HD3 ARG 7 1HD ARG 7 -4.721 -7.851 1.738 475 HH11 ARG 7 1HH1 ARG 7 -3.754 -9.560 2.868 476 HH12 ARG 7 2HH1 ARG 7 -4.079 -11.230 3.196 477 HH21 ARG 7 2HH2 ARG 7 -5.069 -12.543 1.600 478 HH22 ARG 7 1HH2 ARG 7 -5.498 -11.867 0.065 479 H ARG 8 HN ARG 8 -1.992 -3.679 -2.038 480 HA ARG 8 HA ARG 8 -2.050 -4.565 -4.648 481 HE ARG 8 HE ARG 8 1.374 -3.904 -7.541 482 HB2 ARG 8 2HB ARG 8 -0.504 -2.838 -3.675 483 HB3 ARG 8 1HB ARG 8 0.455 -4.155 -3.025 484 HG2 ARG 8 2HG ARG 8 1.387 -3.246 -5.099 485 HG3 ARG 8 1HG ARG 8 0.958 -4.950 -5.243 486 HD2 ARG 8 2HD ARG 8 -1.135 -4.327 -6.351 487 HD3 ARG 8 1HD ARG 8 -0.705 -2.623 -6.202 488 HH11 ARG 8 1HH1 ARG 8 -1.991 -3.151 -8.031 489 HH12 ARG 8 2HH1 ARG 8 -1.858 -3.082 -9.757 490 HH21 ARG 8 2HH2 ARG 8 0.160 -3.462 -10.771 491 HH22 ARG 8 1HH2 ARG 8 1.560 -3.818 -9.815 492 H LYS 9 HN LYS 9 -0.497 -6.142 -5.676 493 HA LYS 9 HA LYS 9 -0.071 -8.501 -3.985 494 1HB LYS 9 2HB LYS 9 -1.091 -10.014 -5.516 495 2HB LYS 9 1HB LYS 9 -2.247 -8.744 -5.151 496 1HG LYS 9 1HG LYS 9 -0.553 -8.480 -7.591 497 2HG LYS 9 2HG LYS 9 -2.186 -7.887 -7.278 498 1HD LYS 9 2HD LYS 9 -0.220 -4.318 -13.205 499 2HD LYS 9 1HD LYS 9 0.252 -3.301 -11.843 500 1HE LYS 9 2HE LYS 9 1.640 -5.281 -11.907 501 2HE LYS 9 1HE LYS 9 0.601 -5.325 -10.484 502 1HZ LYS 9 1HZ LYS 9 -0.496 -8.626 -9.613 503 2HZ LYS 9 2HZ LYS 9 -1.112 -9.324 -11.027 504 3HZ LYS 9 3HZ LYS 9 -0.336 -10.291 -9.876 505 H ARG 10 HN ARG 10 2.000 -6.862 -4.733 506 HA ARG 10 HA ARG 10 3.292 -8.240 -6.975 507 HE ARG 10 HE ARG 10 3.205 -3.613 -6.001 508 HB2 ARG 10 2HB ARG 10 4.797 -6.432 -7.130 509 HB3 ARG 10 1HB ARG 10 3.236 -5.690 -6.809 510 HG2 ARG 10 2HG ARG 10 3.841 -5.435 -4.456 511 HG3 ARG 10 1HG ARG 10 5.408 -6.182 -4.778 512 HD2 ARG 10 2HD ARG 10 5.661 -3.783 -4.733 513 HD3 ARG 10 1HD ARG 10 5.901 -4.365 -6.380 514 HH11 ARG 10 1HH1 ARG 10 6.391 -2.259 -6.373 515 HH12 ARG 10 2HH1 ARG 10 5.821 -0.770 -7.050 516 HH21 ARG 10 2HH2 ARG 10 3.576 -0.427 -7.344 517 HH22 ARG 10 1HH2 ARG 10 2.442 -1.655 -6.891 518 H LYS 11 HN LYS 11 3.599 -7.575 -3.546 519 HA LYS 11 HA LYS 11 4.959 -8.405 -1.916 520 HB2 LYS 11 2HB LYS 11 4.838 -10.860 -3.674 521 HB3 LYS 11 1HB LYS 11 5.336 -10.830 -1.990 522 HG2 LYS 11 2HG LYS 11 2.623 -9.887 -2.838 523 HG3 LYS 11 1HG LYS 11 2.962 -11.588 -2.519 524 HD2 LYS 11 2HD LYS 11 3.432 -9.340 -0.562 525 HD3 LYS 11 1HD LYS 11 2.024 -10.403 -0.561 526 HE2 LYS 11 2HE LYS 11 4.900 -11.204 -0.142 527 HE3 LYS 11 1HE LYS 11 3.625 -11.172 1.073 528 HZ1 LYS 11 3HZ LYS 11 3.710 -12.937 -1.314 529 HZ2 LYS 11 1HZ LYS 11 2.457 -12.892 -0.177 530 HZ3 LYS 11 2HZ LYS 11 4.000 -13.410 0.283 531 H ALA 12 HN ALA 12 6.735 -7.025 -2.378 532 HA ALA 12 HA ALA 12 8.838 -8.044 -4.098 533 HB1 ALA 12 3HB ALA 12 8.112 -5.572 -3.825 534 HB2 ALA 12 1HB ALA 12 9.827 -5.958 -3.959 535 HB3 ALA 12 2HB ALA 12 9.123 -5.617 -2.381 536 H ASP 13 HN ASP 13 8.035 -7.828 -0.730 537 HA ASP 13 HA ASP 13 10.476 -9.317 -0.076 538 HB2 ASP 13 2HB ASP 13 10.974 -7.081 0.623 539 HB3 ASP 13 1HB ASP 13 9.409 -6.903 1.412 540 H SER 14 HN SER 14 10.321 -10.521 1.949 541 HA SER 14 HA SER 14 7.868 -10.837 3.320 542 HG SER 14 HG SER 14 7.695 -14.081 2.946 543 HB2 SER 14 2HB SER 14 7.139 -11.914 1.256 544 HB3 SER 14 1HB SER 14 8.545 -12.979 1.290 Start of MODEL 20 1 H1 GLY 1 1H GLY 1 11.583 7.498 -3.671 2 H2 GLY 1 2H GLY 1 12.039 8.812 -4.633 3 H3 GLY 1 3H GLY 1 11.927 8.993 -2.956 4 HA2 GLY 1 1HA GLY 1 13.910 7.372 -4.452 5 HA3 GLY 1 2HA GLY 1 14.227 8.838 -3.536 6 H SER 2 HN SER 2 12.165 7.724 -1.514 7 HA SER 2 HA SER 2 13.596 5.476 -0.383 8 HG SER 2 HG SER 2 13.317 8.948 0.248 9 HB2 SER 2 2HB SER 2 13.973 6.657 1.789 10 HB3 SER 2 1HB SER 2 14.942 7.304 0.467 11 H GLN 3 HN GLN 3 11.289 8.042 0.498 12 HA GLN 3 HA GLN 3 9.554 6.016 1.702 13 HB2 GLN 3 2HB GLN 3 9.767 8.973 1.992 14 HB3 GLN 3 1HB GLN 3 8.295 8.148 2.466 15 HG2 GLN 3 2HG GLN 3 9.771 8.511 4.365 16 HG3 GLN 3 1HG GLN 3 9.545 6.793 4.045 17 HE21 GLN 3 2HE2 GLN 3 12.892 6.147 3.317 18 HE22 GLN 3 1HE2 GLN 3 11.262 5.581 3.256 19 H VAL 4 HN VAL 4 7.921 5.243 0.525 20 HA VAL 4 HA VAL 4 6.479 7.037 -1.262 21 HB VAL 4 HB VAL 4 7.674 4.434 -2.218 22 HG11 VAL 4 1HG1 VAL 4 6.727 5.058 -4.405 23 HG12 VAL 4 2HG1 VAL 4 5.920 6.432 -3.647 24 HG13 VAL 4 3HG1 VAL 4 5.482 4.786 -3.186 25 HG21 VAL 4 3HG2 VAL 4 8.958 5.842 -3.761 26 HG22 VAL 4 1HG2 VAL 4 9.330 6.212 -2.078 27 HG23 VAL 4 2HG2 VAL 4 8.280 7.283 -3.005 28 H PHE 5 HN PHE 5 6.706 3.620 -0.280 29 HA PHE 5 HA PHE 5 5.115 2.118 0.372 30 HD1 PHE 5 HD1 PHE 5 3.289 6.248 1.704 31 HD2 PHE 5 HD2 PHE 5 6.175 3.272 2.662 32 HE1 PHE 5 HE1 PHE 5 4.527 7.889 3.058 33 HE2 PHE 5 HE2 PHE 5 7.416 4.905 4.018 34 HZ PHE 5 HZ PHE 5 6.592 7.218 4.218 35 HB2 PHE 5 2HB PHE 5 3.006 4.133 0.892 36 HB3 PHE 5 1HB PHE 5 3.601 2.838 1.910 37 H GLU 6 HN GLU 6 2.271 2.183 0.005 38 HA GLU 6 HA GLU 6 1.856 2.850 -2.788 39 HB2 GLU 6 2HB GLU 6 2.866 0.709 -3.078 40 HB3 GLU 6 1HB GLU 6 1.901 0.006 -1.790 41 HG2 GLU 6 2HG GLU 6 0.406 1.153 -4.055 42 HG3 GLU 6 1HG GLU 6 1.355 -0.295 -4.391 43 H TYR 7 HN TYR 7 -0.270 3.212 -3.300 44 HA TYR 7 HA TYR 7 -2.146 3.038 -1.111 45 HD1 TYR 7 HD1 TYR 7 -4.134 3.564 -4.794 46 HD2 TYR 7 HD2 TYR 7 -0.472 5.576 -3.994 47 HE1 TYR 7 HE1 TYR 7 -3.809 3.916 -7.205 48 HE2 TYR 7 HE2 TYR 7 -0.133 5.928 -6.404 49 HH TYR 7 HH TYR 7 -2.601 5.398 -8.701 50 HB2 TYR 7 2HB TYR 7 -3.602 4.407 -2.563 51 HB3 TYR 7 1HB TYR 7 -2.059 5.163 -2.224 52 H ALA 8 HN ALA 8 -3.084 1.158 -0.860 53 HA ALA 8 HA ALA 8 -3.781 -0.472 -3.168 54 HB1 ALA 8 3HB ALA 8 -4.483 -2.127 -1.460 55 HB2 ALA 8 1HB ALA 8 -4.092 -0.956 -0.201 56 HB3 ALA 8 2HB ALA 8 -2.817 -1.592 -1.240 57 H GLU 9 HN GLU 9 -5.159 1.572 -3.641 58 HA GLU 9 HA GLU 9 -7.813 1.280 -2.458 59 HB2 GLU 9 2HB GLU 9 -7.494 3.388 -1.876 60 HB3 GLU 9 1HB GLU 9 -6.083 3.536 -2.902 61 HG2 GLU 9 2HG GLU 9 -8.896 3.773 -3.874 62 HG3 GLU 9 1HG GLU 9 -7.915 5.135 -3.357 63 H VAL 10 HN VAL 10 -9.589 1.467 -3.590 64 HA VAL 10 HA VAL 10 -9.327 0.547 -6.283 65 HB VAL 10 HB VAL 10 -11.757 0.842 -4.571 66 HG11 VAL 10 1HG1 VAL 10 -11.626 -0.888 -6.998 67 HG12 VAL 10 2HG1 VAL 10 -11.903 0.840 -7.191 68 HG13 VAL 10 3HG1 VAL 10 -13.026 -0.128 -6.240 69 HG21 VAL 10 3HG2 VAL 10 -11.491 -1.299 -3.866 70 HG22 VAL 10 1HG2 VAL 10 -9.796 -0.894 -4.131 71 HG23 VAL 10 2HG2 VAL 10 -10.686 -1.801 -5.354 72 H ASP 11 HN ASP 11 -10.584 3.214 -4.452 73 HA ASP 11 HA ASP 11 -10.454 4.920 -6.815 74 1HB ASP 11 2HB ASP 11 -12.767 4.366 -6.792 75 2HB ASP 11 1HB ASP 11 -12.899 4.635 -5.066 76 H GLU 12 HN GLU 12 -10.520 4.626 -3.296 77 HA GLU 12 HA GLU 12 -8.970 7.056 -3.085 78 HB2 GLU 12 2HB GLU 12 -11.726 6.849 -1.883 79 HB3 GLU 12 1HB GLU 12 -10.518 7.985 -1.297 80 HG2 GLU 12 2HG GLU 12 -10.400 8.978 -3.549 81 HG3 GLU 12 1HG GLU 12 -11.680 7.883 -4.071 82 H ILE 13 HN ILE 13 -8.082 7.413 -0.947 83 HA ILE 13 HA ILE 13 -8.155 5.047 0.808 84 HB ILE 13 HB ILE 13 -5.781 5.104 1.210 85 HG12 ILE 13 2HG1 ILE 13 -5.570 7.609 1.172 86 HG13 ILE 13 1HG1 ILE 13 -4.296 6.794 0.266 87 HG21 ILE 13 1HG2 ILE 13 -4.917 5.156 -1.288 88 HG22 ILE 13 2HG2 ILE 13 -6.643 5.195 -1.627 89 HG23 ILE 13 3HG2 ILE 13 -5.955 3.863 -0.699 90 HD11 ILE 13 3HD1 ILE 13 -6.068 7.165 -1.704 91 HD12 ILE 13 1HD1 ILE 13 -4.823 8.345 -1.279 92 HD13 ILE 13 2HD1 ILE 13 -6.468 8.541 -0.675 93 H VAL 14 HN VAL 14 -6.546 6.004 2.834 94 HA VAL 14 HA VAL 14 -7.434 8.658 3.601 95 HB VAL 14 HB VAL 14 -8.188 6.230 5.239 96 HG11 VAL 14 1HG1 VAL 14 -8.579 9.164 5.824 97 HG12 VAL 14 2HG1 VAL 14 -7.473 8.075 6.660 98 HG13 VAL 14 3HG1 VAL 14 -9.214 7.829 6.786 99 HG21 VAL 14 3HG2 VAL 14 -9.673 6.592 3.336 100 HG22 VAL 14 1HG2 VAL 14 -9.913 8.267 3.832 101 HG23 VAL 14 2HG2 VAL 14 -10.493 6.952 4.856 102 H GLU 15 HN GLU 15 -6.131 5.692 5.040 103 HA GLU 15 HA GLU 15 -4.037 7.245 6.358 104 HB2 GLU 15 2HB GLU 15 -4.822 4.332 6.556 105 HB3 GLU 15 1HB GLU 15 -3.474 5.045 7.431 106 HG2 GLU 15 2HG GLU 15 -6.374 5.807 7.703 107 HG3 GLU 15 1HG GLU 15 -5.428 4.858 8.849 108 H LYS 16 HN LYS 16 -1.850 6.980 5.926 109 HA LYS 16 HA LYS 16 -1.012 5.034 3.936 110 HB2 LYS 16 2HB LYS 16 0.100 6.859 2.568 111 HB3 LYS 16 1HB LYS 16 -1.651 6.765 2.447 112 HG2 LYS 16 2HG LYS 16 -1.865 8.623 4.014 113 HG3 LYS 16 1HG LYS 16 -0.107 8.721 4.134 114 HD2 LYS 16 2HD LYS 16 0.092 9.348 1.842 115 HD3 LYS 16 1HD LYS 16 -1.613 9.001 1.541 116 HE2 LYS 16 2HE LYS 16 -0.561 11.155 3.372 117 HE3 LYS 16 1HE LYS 16 -1.169 11.412 1.737 118 HZ1 LYS 16 3HZ LYS 16 -3.323 10.546 2.465 119 HZ2 LYS 16 1HZ LYS 16 -2.867 11.911 3.355 120 HZ3 LYS 16 2HZ LYS 16 -2.731 10.370 4.039 121 H ARG 17 HN ARG 17 0.457 4.152 5.446 122 HA ARG 17 HA ARG 17 2.855 5.703 5.878 123 HE ARG 17 HE ARG 17 5.300 6.145 9.900 124 HB2 ARG 17 2HB ARG 17 1.213 6.278 7.774 125 HB3 ARG 17 1HB ARG 17 1.513 4.645 8.352 126 HG2 ARG 17 2HG ARG 17 3.617 6.760 7.943 127 HG3 ARG 17 1HG ARG 17 2.902 6.310 9.491 128 HD2 ARG 17 2HD ARG 17 3.728 3.976 9.085 129 HD3 ARG 17 1HD ARG 17 4.600 4.598 7.684 130 HH11 ARG 17 1HH1 ARG 17 5.659 2.886 8.726 131 HH12 ARG 17 2HH1 ARG 17 7.163 2.618 9.544 132 HH21 ARG 17 2HH2 ARG 17 8.086 4.278 10.824 133 HH22 ARG 17 1HH2 ARG 17 7.283 5.805 10.978 134 H GLY 18 HN GLY 18 3.843 3.984 4.664 135 HA2 GLY 18 2HA GLY 18 4.385 1.688 6.359 136 HA3 GLY 18 1HA GLY 18 3.623 1.349 4.835 137 H LYS 19 HN LYS 19 5.074 0.279 3.789 138 HA LYS 19 HA LYS 19 7.813 1.293 3.568 139 HB2 LYS 19 2HB LYS 19 6.565 -1.408 3.410 140 HB3 LYS 19 1HB LYS 19 8.172 -1.128 2.741 141 HG2 LYS 19 2HG LYS 19 9.041 -0.557 4.890 142 HG3 LYS 19 1HG LYS 19 7.423 -0.547 5.598 143 HD2 LYS 19 2HD LYS 19 7.211 -2.941 5.160 144 HD3 LYS 19 1HD LYS 19 8.817 -2.954 4.430 145 HE2 LYS 19 2HE LYS 19 9.801 -2.283 6.560 146 HE3 LYS 19 1HE LYS 19 8.198 -2.222 7.291 147 HZ1 LYS 19 3HZ LYS 19 9.402 -4.284 7.796 148 HZ2 LYS 19 1HZ LYS 19 9.440 -4.664 6.147 149 HZ3 LYS 19 2HZ LYS 19 7.960 -4.576 6.961 150 H GLY 20 HN GLY 20 6.342 -1.003 1.469 151 HA2 GLY 20 2HA GLY 20 6.210 0.901 -0.738 152 HA3 GLY 20 1HA GLY 20 6.981 -0.675 -0.930 153 H LYS 21 HN LYS 21 5.485 -2.245 0.518 154 HA LYS 21 HA LYS 21 2.735 -2.029 -0.468 155 HB2 LYS 21 2HB LYS 21 4.716 -4.173 -0.899 156 HB3 LYS 21 1HB LYS 21 3.106 -4.716 -0.443 157 HG2 LYS 21 2HG LYS 21 3.816 -2.977 -2.797 158 HG3 LYS 21 1HG LYS 21 3.314 -4.664 -2.846 159 HD2 LYS 21 2HD LYS 21 1.666 -2.271 -2.052 160 HD3 LYS 21 1HD LYS 21 1.418 -3.346 -3.428 161 HE2 LYS 21 2HE LYS 21 0.831 -5.166 -1.967 162 HE3 LYS 21 1HE LYS 21 1.242 -4.209 -0.545 163 HZ1 LYS 21 3HZ LYS 21 -0.933 -3.552 -2.455 164 HZ2 LYS 21 1HZ LYS 21 -0.568 -2.722 -1.027 165 HZ3 LYS 21 2HZ LYS 21 -1.157 -4.305 -0.959 166 H ASP 22 HN ASP 22 4.718 -2.287 2.219 167 HA ASP 22 HA ASP 22 2.971 -3.914 3.790 168 HB2 ASP 22 2HB ASP 22 5.424 -4.083 4.078 169 HB3 ASP 22 1HB ASP 22 5.421 -2.422 4.626 170 H VAL 23 HN VAL 23 2.568 -1.043 2.704 171 HA VAL 23 HA VAL 23 1.996 0.420 5.102 172 HB VAL 23 HB VAL 23 2.908 1.491 3.085 173 HG11 VAL 23 1HG1 VAL 23 2.049 0.598 1.191 174 HG12 VAL 23 2HG1 VAL 23 0.926 1.943 1.355 175 HG13 VAL 23 3HG1 VAL 23 0.456 0.338 1.894 176 HG21 VAL 23 3HG2 VAL 23 1.302 2.552 4.844 177 HG22 VAL 23 1HG2 VAL 23 0.200 2.664 3.480 178 HG23 VAL 23 2HG2 VAL 23 1.771 3.460 3.409 179 H GLU 24 HN GLU 24 -0.058 1.340 5.526 180 HA GLU 24 HA GLU 24 -2.261 -0.442 4.745 181 HB2 GLU 24 2HB GLU 24 -3.374 0.419 6.837 182 HB3 GLU 24 1HB GLU 24 -1.951 -0.580 7.095 183 HG2 GLU 24 2HG GLU 24 -0.607 1.388 7.518 184 HG3 GLU 24 1HG GLU 24 -1.988 2.429 7.171 185 H TYR 25 HN TYR 25 -3.424 0.459 3.190 186 HA TYR 25 HA TYR 25 -4.020 3.322 3.325 187 HD1 TYR 25 HD1 TYR 25 -3.736 4.957 0.228 188 HD2 TYR 25 HD2 TYR 25 -1.085 2.224 2.103 189 HE1 TYR 25 HE1 TYR 25 -1.885 6.558 -0.055 190 HE2 TYR 25 HE2 TYR 25 0.770 3.810 1.831 191 HH TYR 25 HH TYR 25 1.403 5.699 0.541 192 HB2 TYR 25 2HB TYR 25 -3.339 1.524 1.059 193 HB3 TYR 25 1HB TYR 25 -4.499 2.813 0.761 194 H LEU 26 HN LEU 26 -6.149 3.961 2.703 195 HA LEU 26 HA LEU 26 -8.132 1.920 3.229 196 HG LEU 26 HG LEU 26 -10.517 2.981 2.855 197 HB2 LEU 26 2HB LEU 26 -8.552 3.980 4.337 198 HB3 LEU 26 1HB LEU 26 -8.263 4.894 2.878 199 HD11 LEU 26 1HD1 LEU 26 -11.768 3.967 4.388 200 HD12 LEU 26 2HD1 LEU 26 -11.399 5.566 3.743 201 HD13 LEU 26 3HD1 LEU 26 -10.320 4.819 4.922 202 HD21 LEU 26 3HD2 LEU 26 -11.509 4.981 1.596 203 HD22 LEU 26 1HD2 LEU 26 -10.245 4.033 0.816 204 HD23 LEU 26 2HD2 LEU 26 -9.854 5.583 1.561 205 H VAL 27 HN VAL 27 -9.939 1.587 1.772 206 HA VAL 27 HA VAL 27 -9.428 2.465 -0.953 207 HB VAL 27 HB VAL 27 -8.514 0.499 -1.427 208 HG11 VAL 27 1HG1 VAL 27 -9.915 -0.846 0.864 209 HG12 VAL 27 2HG1 VAL 27 -8.321 -0.098 0.940 210 HG13 VAL 27 3HG1 VAL 27 -8.588 -1.500 -0.089 211 HG21 VAL 27 3HG2 VAL 27 -10.745 0.322 -2.534 212 HG22 VAL 27 1HG2 VAL 27 -11.256 -0.710 -1.200 213 HG23 VAL 27 2HG2 VAL 27 -9.938 -1.220 -2.250 214 H ARG 28 HN ARG 28 -11.158 3.741 -1.113 215 HA ARG 28 HA ARG 28 -13.790 2.840 -0.365 216 HE ARG 28 HE ARG 28 -17.076 6.347 -0.079 217 HB2 ARG 28 2HB ARG 28 -12.817 5.308 -0.529 218 HB3 ARG 28 1HB ARG 28 -13.338 5.142 -2.200 219 HG2 ARG 28 2HG ARG 28 -15.612 4.736 -1.499 220 HG3 ARG 28 1HG ARG 28 -15.122 4.779 0.196 221 HD2 ARG 28 2HD ARG 28 -14.426 7.111 -0.067 222 HD3 ARG 28 1HD ARG 28 -14.910 7.066 -1.762 223 HH11 ARG 28 1HH1 ARG 28 -15.209 9.084 -1.154 224 HH12 ARG 28 2HH1 ARG 28 -16.497 10.219 -0.921 225 HH21 ARG 28 2HH2 ARG 28 -18.525 9.512 -0.134 226 HH22 ARG 28 1HH2 ARG 28 -18.781 7.838 0.230 227 H TRP 29 HN TRP 29 -13.827 0.935 -1.513 228 HA TRP 29 HA TRP 29 -13.339 0.129 -3.953 229 HD1 TRP 29 HD1 TRP 29 -13.115 -1.530 -4.909 230 HE1 TRP 29 HE1 TRP 29 -13.580 -3.860 -5.890 231 HE3 TRP 29 HE3 TRP 29 -17.580 -2.503 -2.612 232 HZ2 TRP 29 HZ2 TRP 29 -15.574 -5.851 -5.715 233 HZ3 TRP 29 HZ3 TRP 29 -18.701 -4.643 -3.075 234 HH2 TRP 29 HH2 TRP 29 -17.718 -6.282 -4.594 235 HB2 TRP 29 2HB TRP 29 -14.942 -0.791 -2.055 236 HB3 TRP 29 1HB TRP 29 -16.184 -0.248 -3.176 237 H LYS 30 HN LYS 30 -13.128 1.802 -5.390 238 HA LYS 30 HA LYS 30 -14.564 3.734 -6.397 239 HB2 LYS 30 2HB LYS 30 -13.857 3.297 -8.610 240 HB3 LYS 30 1HB LYS 30 -12.644 2.563 -7.575 241 HG2 LYS 30 2HG LYS 30 -13.906 0.377 -7.911 242 HG3 LYS 30 1HG LYS 30 -14.788 1.215 -9.182 243 HD2 LYS 30 2HD LYS 30 -12.802 1.591 -10.437 244 HD3 LYS 30 1HD LYS 30 -11.781 1.054 -9.103 245 HE2 LYS 30 2HE LYS 30 -11.918 -0.679 -10.785 246 HE3 LYS 30 1HE LYS 30 -12.733 -1.207 -9.314 247 HZ1 LYS 30 3HZ LYS 30 -14.026 -1.762 -11.265 248 HZ2 LYS 30 1HZ LYS 30 -14.060 -0.140 -11.747 249 HZ3 LYS 30 2HZ LYS 30 -14.853 -0.619 -10.332 250 H ASP 31 HN ASP 31 -15.687 0.401 -6.729 251 HA ASP 31 HA ASP 31 -18.295 1.449 -7.613 252 HB2 ASP 31 2HB ASP 31 -16.867 -1.089 -8.401 253 HB3 ASP 31 1HB ASP 31 -18.602 -0.889 -8.621 254 H GLY 32 HN GLY 32 -18.093 1.550 -5.054 255 HA2 GLY 32 2HA GLY 32 -19.572 -0.794 -4.072 256 HA3 GLY 32 1HA GLY 32 -18.180 -0.211 -3.166 257 H GLY 33 HN GLY 33 -19.246 0.390 -1.328 258 HA2 GLY 33 2HA GLY 33 -20.837 2.836 -1.559 259 HA3 GLY 33 1HA GLY 33 -21.569 1.468 -0.734 260 H ASP 34 HN ASP 34 -19.523 0.446 0.723 261 HA ASP 34 HA ASP 34 -19.118 2.548 2.703 262 HB2 ASP 34 2HB ASP 34 -18.670 -0.441 2.864 263 HB3 ASP 34 1HB ASP 34 -18.461 0.685 4.202 264 H CYS 35 HN CYS 35 -16.930 2.082 4.016 265 HA CYS 35 HA CYS 35 -14.753 1.938 2.037 266 HG CYS 35 HG CYS 35 -16.257 3.533 5.341 267 HB2 CYS 35 2HB CYS 35 -13.583 3.714 3.287 268 HB3 CYS 35 1HB CYS 35 -15.121 4.272 2.639 269 H GLU 36 HN GLU 36 -12.964 0.808 2.601 270 HA GLU 36 HA GLU 36 -12.764 -0.192 5.357 271 HB2 GLU 36 2HB GLU 36 -13.800 -1.929 3.916 272 HB3 GLU 36 1HB GLU 36 -12.382 -1.881 2.878 273 HG2 GLU 36 2HG GLU 36 -12.241 -3.771 4.351 274 HG3 GLU 36 1HG GLU 36 -10.995 -2.598 4.777 275 H TRP 37 HN TRP 37 -10.603 -0.964 5.923 276 HA TRP 37 HA TRP 37 -8.562 0.630 4.576 277 HD1 TRP 37 HD1 TRP 37 -9.224 2.512 5.413 278 HE1 TRP 37 HE1 TRP 37 -10.068 4.268 7.096 279 HE3 TRP 37 HE3 TRP 37 -8.426 -0.071 9.755 280 HZ2 TRP 37 HZ2 TRP 37 -10.355 4.525 9.891 281 HZ3 TRP 37 HZ3 TRP 37 -9.012 1.004 11.890 282 HH2 TRP 37 HH2 TRP 37 -9.956 3.254 11.955 283 HB2 TRP 37 2HB TRP 37 -8.573 -0.753 7.262 284 HB3 TRP 37 1HB TRP 37 -7.206 0.146 6.615 285 H VAL 38 HN VAL 38 -6.566 -0.224 3.926 286 HA VAL 38 HA VAL 38 -6.682 -3.025 3.165 287 HB VAL 38 HB VAL 38 -4.666 -0.885 2.468 288 HG11 VAL 38 1HG1 VAL 38 -4.840 -3.768 1.584 289 HG12 VAL 38 2HG1 VAL 38 -3.533 -3.011 2.494 290 HG13 VAL 38 3HG1 VAL 38 -3.816 -2.556 0.823 291 HG21 VAL 38 3HG2 VAL 38 -5.829 -1.747 0.148 292 HG22 VAL 38 1HG2 VAL 38 -6.303 -0.304 1.045 293 HG23 VAL 38 2HG2 VAL 38 -7.174 -1.817 1.285 294 H LYS 39 HN LYS 39 -4.810 -4.435 3.503 295 HA LYS 39 HA LYS 39 -3.964 -4.271 6.229 296 HB2 LYS 39 2HB LYS 39 -4.644 -6.407 5.129 297 HB3 LYS 39 1HB LYS 39 -3.182 -6.315 4.155 298 HG2 LYS 39 2HG LYS 39 -2.830 -7.823 5.989 299 HG3 LYS 39 1HG LYS 39 -1.837 -6.384 6.220 300 HD2 LYS 39 2HD LYS 39 -2.846 -6.987 8.320 301 HD3 LYS 39 1HD LYS 39 -3.575 -5.487 7.744 302 HE2 LYS 39 2HE LYS 39 -5.481 -6.779 6.869 303 HE3 LYS 39 1HE LYS 39 -4.755 -8.254 7.508 304 HZ1 LYS 39 3HZ LYS 39 -4.899 -7.278 9.738 305 HZ2 LYS 39 1HZ LYS 39 -6.422 -7.428 9.017 306 HZ3 LYS 39 2HZ LYS 39 -5.669 -5.916 9.096 307 H GLY 40 HN GLY 40 -2.391 -3.022 6.819 308 HA2 GLY 40 2HA GLY 40 -0.159 -2.457 5.065 309 HA3 GLY 40 1HA GLY 40 -0.456 -1.735 6.636 310 H VAL 41 HN VAL 41 -0.330 -5.188 5.933 311 HA VAL 41 HA VAL 41 2.069 -5.375 7.625 312 HB VAL 41 HB VAL 41 0.247 -7.685 7.047 313 HG11 VAL 41 1HG1 VAL 41 2.129 -7.051 9.315 314 HG12 VAL 41 2HG1 VAL 41 2.407 -8.199 8.004 315 HG13 VAL 41 3HG1 VAL 41 1.136 -8.504 9.189 316 HG21 VAL 41 3HG2 VAL 41 -1.035 -7.226 9.036 317 HG22 VAL 41 1HG2 VAL 41 -1.123 -5.828 7.964 318 HG23 VAL 41 2HG2 VAL 41 -0.066 -5.792 9.375 319 H HIS 42 HN HIS 42 1.161 -5.389 4.473 320 HA HIS 42 HA HIS 42 2.451 -7.682 3.455 321 HD1 HIS 42 HD1 HIS 42 1.961 -7.043 -0.496 322 HD2 HIS 42 HD2 HIS 42 -0.355 -8.117 2.782 323 HE1 HIS 42 HE1 HIS 42 0.482 -8.910 -1.300 324 HE2 HIS 42 HE2 HIS 42 -0.865 -9.588 0.718 325 HB2 HIS 42 2HB HIS 42 1.042 -5.382 2.439 326 HB3 HIS 42 1HB HIS 42 2.498 -5.675 1.485 327 H VAL 43 HN VAL 43 4.248 -7.613 4.788 328 HA VAL 43 HA VAL 43 6.194 -5.661 4.853 329 HB VAL 43 HB VAL 43 6.143 -7.456 6.449 330 HG11 VAL 43 1HG1 VAL 43 5.483 -9.192 4.717 331 HG12 VAL 43 2HG1 VAL 43 6.613 -9.707 5.967 332 HG13 VAL 43 3HG1 VAL 43 7.203 -9.326 4.350 333 HG21 VAL 43 3HG2 VAL 43 8.266 -6.307 6.128 334 HG22 VAL 43 1HG2 VAL 43 8.713 -7.457 4.869 335 HG23 VAL 43 2HG2 VAL 43 8.530 -8.001 6.535 336 H ALA 44 HN ALA 44 6.189 -5.002 2.598 337 HA ALA 44 HA ALA 44 7.874 -6.594 0.850 338 HB1 ALA 44 3HB ALA 44 7.498 -4.703 -0.757 339 HB2 ALA 44 1HB ALA 44 6.454 -3.963 0.455 340 HB3 ALA 44 2HB ALA 44 6.026 -5.525 -0.242 341 H GLU 45 HN GLU 45 9.232 -6.103 3.014 342 HA GLU 45 HA GLU 45 10.568 -3.741 3.438 343 HB2 GLU 45 2HB GLU 45 12.262 -5.009 4.564 344 HB3 GLU 45 1HB GLU 45 10.719 -5.798 4.859 345 HG2 GLU 45 2HG GLU 45 12.775 -6.665 2.839 346 HG3 GLU 45 1HG GLU 45 12.498 -7.405 4.415 347 H ASP 46 HN ASP 46 10.905 -5.995 0.853 348 HA ASP 46 HA ASP 46 13.484 -5.239 -0.041 349 HB2 ASP 46 2HB ASP 46 12.275 -7.279 -0.795 350 HB3 ASP 46 1HB ASP 46 11.161 -6.251 -1.690 351 H VAL 47 HN VAL 47 10.228 -4.168 -0.998 352 HA VAL 47 HA VAL 47 10.962 -2.303 -2.932 353 HB VAL 47 HB VAL 47 8.651 -2.107 -0.992 354 HG11 VAL 47 1HG1 VAL 47 7.751 -0.962 -3.243 355 HG12 VAL 47 2HG1 VAL 47 9.458 -0.527 -3.350 356 HG13 VAL 47 3HG1 VAL 47 8.516 -0.064 -1.934 357 HG21 VAL 47 3HG2 VAL 47 7.341 -3.209 -2.727 358 HG22 VAL 47 1HG2 VAL 47 8.686 -4.229 -2.217 359 HG23 VAL 47 2HG2 VAL 47 8.779 -3.345 -3.741 360 H ALA 48 HN ALA 48 10.800 -2.031 0.507 361 HA ALA 48 HA ALA 48 11.340 0.753 0.796 362 HB1 ALA 48 3HB ALA 48 11.514 0.212 3.184 363 HB2 ALA 48 1HB ALA 48 11.369 -1.500 2.788 364 HB3 ALA 48 2HB ALA 48 10.028 -0.403 2.459 365 H LYS 49 HN LYS 49 13.137 -2.173 1.736 366 HA LYS 49 HA LYS 49 15.548 -0.900 2.317 367 HB2 LYS 49 2HB LYS 49 14.954 -3.265 2.904 368 HB3 LYS 49 1HB LYS 49 15.222 -3.701 1.223 369 HG2 LYS 49 2HG LYS 49 17.407 -2.308 2.672 370 HG3 LYS 49 1HG LYS 49 17.091 -4.001 3.054 371 HD2 LYS 49 2HD LYS 49 17.606 -2.915 0.287 372 HD3 LYS 49 1HD LYS 49 18.806 -3.716 1.300 373 HE2 LYS 49 2HE LYS 49 16.293 -4.894 0.134 374 HE3 LYS 49 1HE LYS 49 17.960 -5.336 -0.229 375 HZ1 LYS 49 3HZ LYS 49 16.568 -5.745 2.362 376 HZ2 LYS 49 1HZ LYS 49 18.192 -6.117 2.061 377 HZ3 LYS 49 2HZ LYS 49 16.968 -6.947 1.241 378 H ASP 50 HN ASP 50 14.083 -1.846 -0.673 379 HA ASP 50 HA ASP 50 16.490 -1.270 -2.201 380 HB2 ASP 50 2HB ASP 50 14.871 -3.186 -2.745 381 HB3 ASP 50 1HB ASP 50 13.768 -1.938 -3.322 382 H TYR 51 HN TYR 51 13.503 0.196 -1.200 383 HA TYR 51 HA TYR 51 13.386 2.172 -3.181 384 HD1 TYR 51 HD1 TYR 51 12.125 3.580 -3.923 385 HD2 TYR 51 HD2 TYR 51 9.648 1.482 -1.172 386 HE1 TYR 51 HE1 TYR 51 10.247 3.737 -5.501 387 HE2 TYR 51 HE2 TYR 51 7.765 1.635 -2.740 388 HH TYR 51 HH TYR 51 8.132 2.537 -5.975 389 HB2 TYR 51 2HB TYR 51 11.954 1.649 -0.767 390 HB3 TYR 51 1HB TYR 51 12.248 3.354 -0.942 391 H GLU 52 HN GLU 52 14.050 2.586 0.238 392 HA GLU 52 HA GLU 52 15.480 5.022 -0.224 393 HB2 GLU 52 2HB GLU 52 15.527 5.264 2.164 394 HB3 GLU 52 1HB GLU 52 13.924 4.725 1.684 395 HG2 GLU 52 2HG GLU 52 14.532 2.426 2.310 396 HG3 GLU 52 1HG GLU 52 16.103 3.013 2.854 397 H ASP 53 HN ASP 53 16.229 1.840 1.116 398 HA ASP 53 HA ASP 53 19.016 2.435 1.452 399 HB2 ASP 53 2HB ASP 53 17.194 0.182 1.999 400 HB3 ASP 53 1HB ASP 53 18.873 -0.263 1.685 401 H GLY 54 HN GLY 54 17.045 1.082 -1.066 402 HA2 GLY 54 2HA GLY 54 19.205 -0.232 -2.433 403 HA3 GLY 54 1HA GLY 54 17.597 0.060 -3.071 404 H LEU 55 HN LEU 55 17.276 2.672 -3.193 405 HA LEU 55 HA LEU 55 18.895 3.464 -5.362 406 HG LEU 55 HG LEU 55 15.787 3.398 -4.700 407 HB2 LEU 55 2HB LEU 55 17.096 5.139 -3.609 408 HB3 LEU 55 1HB LEU 55 17.755 5.641 -5.154 409 HD11 LEU 55 1HD1 LEU 55 14.246 4.816 -5.942 410 HD12 LEU 55 2HD1 LEU 55 15.484 6.066 -6.069 411 HD13 LEU 55 3HD1 LEU 55 14.825 5.636 -4.491 412 HD21 LEU 55 3HD2 LEU 55 17.015 4.414 -7.260 413 HD22 LEU 55 1HD2 LEU 55 15.719 3.224 -7.140 414 HD23 LEU 55 2HD2 LEU 55 17.323 2.848 -6.508 415 H GLU 56 HN GLU 56 18.596 5.078 -2.191 416 HA GLU 56 HA GLU 56 21.222 6.258 -2.549 417 HB2 GLU 56 2HB GLU 56 19.352 6.546 -0.212 418 HB3 GLU 56 1HB GLU 56 20.725 7.570 -0.593 419 HG2 GLU 56 2HG GLU 56 18.196 7.310 -2.203 420 HG3 GLU 56 1HG GLU 56 18.641 8.664 -1.165 421 H TYR 57 HN TYR 57 21.812 3.780 -2.497 422 HA TYR 57 HA TYR 57 22.080 2.591 0.085 423 HD1 TYR 57 HD1 TYR 57 21.767 -0.366 -0.184 424 HD2 TYR 57 HD2 TYR 57 25.535 1.095 -1.513 425 HE1 TYR 57 HE1 TYR 57 22.891 -2.209 0.995 426 HE2 TYR 57 HE2 TYR 57 26.669 -0.744 -0.339 427 HH TYR 57 HH TYR 57 26.207 -2.265 1.578 428 HB2 TYR 57 2HB TYR 57 21.926 1.266 -2.001 429 HB3 TYR 57 1HB TYR 57 23.488 1.903 -2.503 430 HA ALA 1 HA ALA 1 -12.726 -11.314 1.825 431 H1 ALA 1 1H ALA 1 -14.420 -12.799 2.670 432 H2 ALA 1 2H ALA 1 -15.299 -11.492 3.281 433 H3 ALA 1 3H ALA 1 -13.773 -11.852 3.913 434 HB1 ALA 1 3HB ALA 1 -14.040 -10.319 0.018 435 HB2 ALA 1 1HB ALA 1 -15.519 -10.605 0.936 436 HB3 ALA 1 2HB ALA 1 -14.559 -11.969 0.363 437 HA PRO 2 HA PRO 2 -12.531 -7.322 3.751 438 HB2 PRO 2 1HB PRO 2 -10.254 -7.600 3.470 439 HB3 PRO 2 2HB PRO 2 -10.513 -6.261 2.345 440 HG2 PRO 2 2HG PRO 2 -10.506 -7.652 0.488 441 HG3 PRO 2 1HG PRO 2 -9.376 -8.535 1.532 442 HD2 PRO 2 2HD PRO 2 -11.671 -9.620 0.482 443 HD3 PRO 2 1HD PRO 2 -10.893 -10.191 1.971 444 HA PRO 3 HA PRO 3 -15.210 -5.166 0.769 445 HB2 PRO 3 1HB PRO 3 -16.810 -4.998 2.402 446 HB3 PRO 3 2HB PRO 3 -16.171 -3.358 2.566 447 HG2 PRO 3 2HG PRO 3 -14.867 -3.910 4.401 448 HG3 PRO 3 1HG PRO 3 -16.227 -5.021 4.650 449 HD2 PRO 3 2HD PRO 3 -13.665 -5.874 4.495 450 HD3 PRO 3 1HD PRO 3 -15.030 -6.850 3.915 451 H GLY 4 HN GLY 4 -12.726 -4.592 0.229 452 HA2 GLY 4 2HA GLY 4 -12.472 -2.143 -0.735 453 HA3 GLY 4 1HA GLY 4 -12.123 -1.827 0.957 454 H THR 5 HN THR 5 -10.961 -3.142 -2.005 455 HA THR 5 HA THR 5 -8.256 -3.122 -1.007 456 HB THR 5 HB THR 5 -7.730 -5.433 -1.749 457 HG1 THR 5 HG1 THR 5 -9.261 -6.704 -2.532 458 HG21 THR 5 3HG2 THR 5 -8.116 -4.955 0.625 459 HG22 THR 5 1HG2 THR 5 -8.671 -6.574 0.200 460 HG23 THR 5 2HG2 THR 5 -9.838 -5.268 0.409 461 H ALA 6 HN ALA 6 -6.663 -3.128 -2.635 462 HA ALA 6 HA ALA 6 -7.530 -3.271 -5.409 463 HB1 ALA 6 3HB ALA 6 -7.983 -0.954 -4.807 464 HB2 ALA 6 1HB ALA 6 -6.671 -1.062 -5.978 465 HB3 ALA 6 2HB ALA 6 -6.314 -0.757 -4.280 466 H ARG 7 HN ARG 7 -4.741 -2.093 -3.502 467 HA ARG 7 HA ARG 7 -2.510 -2.562 -3.617 468 HE ARG 7 HE ARG 7 -2.942 -6.796 -5.664 469 HB2 ARG 7 2HB ARG 7 -3.125 -4.847 -3.134 470 HB3 ARG 7 1HB ARG 7 -3.574 -5.129 -4.809 471 HG2 ARG 7 2HG ARG 7 -0.783 -4.296 -4.234 472 HG3 ARG 7 1HG ARG 7 -1.266 -5.943 -3.831 473 HD2 ARG 7 2HD ARG 7 -1.363 -4.607 -6.531 474 HD3 ARG 7 1HD ARG 7 -0.347 -5.956 -6.037 475 HH11 ARG 7 1HH1 ARG 7 -0.999 -5.670 -8.329 476 HH12 ARG 7 2HH1 ARG 7 -1.850 -6.604 -9.513 477 HH21 ARG 7 2HH2 ARG 7 -3.595 -7.944 -8.882 478 HH22 ARG 7 1HH2 ARG 7 -4.071 -8.028 -7.219 479 H ARG 8 HN ARG 8 -0.984 -1.749 -4.985 480 HA ARG 8 HA ARG 8 -1.471 -2.083 -7.870 481 HE ARG 8 HE ARG 8 0.804 2.746 -5.114 482 HB2 ARG 8 2HB ARG 8 -0.907 0.221 -8.300 483 HB3 ARG 8 1HB ARG 8 -2.231 0.152 -7.144 484 HG2 ARG 8 2HG ARG 8 -0.956 0.939 -5.421 485 HG3 ARG 8 1HG ARG 8 0.550 0.326 -6.108 486 HD2 ARG 8 2HD ARG 8 0.376 2.051 -7.882 487 HD3 ARG 8 1HD ARG 8 -1.039 2.700 -7.059 488 HH11 ARG 8 1HH1 ARG 8 0.876 3.849 -8.418 489 HH12 ARG 8 2HH1 ARG 8 2.020 5.111 -8.108 490 HH21 ARG 8 2HH2 ARG 8 2.835 5.429 -5.991 491 HH22 ARG 8 1HH2 ARG 8 2.309 4.407 -4.694 492 H LYS 9 HN LYS 9 0.362 -3.702 -6.549 493 HA LYS 9 HA LYS 9 2.746 -2.924 -7.944 494 HB2 LYS 9 2HB LYS 9 2.622 -3.027 -4.953 495 HB3 LYS 9 1HB LYS 9 4.108 -3.481 -5.779 496 HG2 LYS 9 2HG LYS 9 4.160 -1.288 -6.873 497 HG3 LYS 9 1HG LYS 9 2.689 -0.834 -6.010 498 HD2 LYS 9 2HD LYS 9 3.782 -0.873 -3.920 499 HD3 LYS 9 1HD LYS 9 5.180 -1.723 -4.582 500 HE2 LYS 9 2HE LYS 9 5.614 0.674 -4.159 501 HE3 LYS 9 1HE LYS 9 5.824 0.219 -5.849 502 HZ1 LYS 9 3HZ LYS 9 3.573 1.088 -6.276 503 HZ2 LYS 9 1HZ LYS 9 4.635 2.281 -5.717 504 HZ3 LYS 9 2HZ LYS 9 3.483 1.618 -4.673 505 H ARG 10 HN ARG 10 4.528 -4.743 -7.401 506 HA ARG 10 HA ARG 10 3.414 -7.184 -8.313 507 HE ARG 10 HE ARG 10 8.360 -5.289 -5.642 508 HB2 ARG 10 2HB ARG 10 5.758 -8.028 -7.867 509 HB3 ARG 10 1HB ARG 10 5.642 -6.644 -8.952 510 HG2 ARG 10 2HG ARG 10 6.663 -5.255 -7.517 511 HG3 ARG 10 1HG ARG 10 5.929 -6.004 -6.099 512 HD2 ARG 10 2HD ARG 10 7.496 -7.868 -6.265 513 HD3 ARG 10 1HD ARG 10 8.202 -7.164 -7.719 514 HH11 ARG 10 1HH1 ARG 10 9.694 -8.369 -6.568 515 HH12 ARG 10 2HH1 ARG 10 11.195 -8.114 -5.742 516 HH21 ARG 10 2HH2 ARG 10 11.560 -6.167 -4.596 517 HH22 ARG 10 1HH2 ARG 10 10.335 -4.943 -4.551 518 H LYS 11 HN LYS 11 4.186 -5.865 -5.213 519 HA LYS 11 HA LYS 11 3.641 -6.538 -3.117 520 1HB LYS 11 1HB LYS 11 2.275 -8.456 -2.694 521 2HB LYS 11 2HB LYS 11 2.651 -9.146 -4.267 522 1HG LYS 11 1HG LYS 11 -2.670 -8.072 -0.324 523 2HG LYS 11 2HG LYS 11 -1.242 -7.862 -1.341 524 1HD LYS 11 2HD LYS 11 -1.328 -6.201 0.460 525 2HD LYS 11 1HD LYS 11 -1.340 -7.503 1.649 526 1HE LYS 11 1HE LYS 11 0.859 -6.969 -0.344 527 2HE LYS 11 2HE LYS 11 0.851 -8.244 0.873 528 1HZ LYS 11 1HZ LYS 11 -1.369 -10.106 -6.213 529 2HZ LYS 11 2HZ LYS 11 -0.839 -11.494 -5.406 530 3HZ LYS 11 3HZ LYS 11 0.125 -10.797 -6.608 531 H ALA 12 HN ALA 12 6.048 -6.520 -3.320 532 HA ALA 12 HA ALA 12 7.779 -8.535 -3.717 533 HB1 ALA 12 3HB ALA 12 8.486 -6.329 -3.019 534 HB2 ALA 12 1HB ALA 12 9.225 -7.555 -1.990 535 HB3 ALA 12 2HB ALA 12 7.857 -6.614 -1.397 536 H ASP 13 HN ASP 13 5.513 -8.359 -1.057 537 HA ASP 13 HA ASP 13 6.660 -10.827 0.060 538 HB2 ASP 13 2HB ASP 13 6.506 -8.950 1.637 539 HB3 ASP 13 1HB ASP 13 4.776 -8.835 1.341 540 H SER 14 HN SER 14 3.819 -9.406 -1.356 541 HA SER 14 HA SER 14 1.765 -10.243 -1.904 542 HG SER 14 HG SER 14 1.780 -13.484 -3.494 543 HB2 SER 14 2HB SER 14 3.165 -11.497 -3.468 544 HB3 SER 14 1HB SER 14 3.427 -12.749 -2.254
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