NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
575938 | 2m80 | 19218 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 9 1HT MET 9 -14.551 -15.292 3.346 2 HA MET 9 HA MET 9 -16.481 -14.487 2.477 3 HB2 MET 9 2HB MET 9 -14.205 -12.734 1.530 4 HB3 MET 9 1HB MET 9 -15.871 -12.199 1.702 5 HG2 MET 9 2HG MET 9 -15.175 -11.514 3.717 6 HG3 MET 9 1HG MET 9 -15.443 -13.198 4.162 7 HE1 MET 9 2HE MET 9 -13.240 -10.591 2.879 8 HE2 MET 9 3HE MET 9 -11.835 -11.525 2.367 9 HE3 MET 9 1HE MET 9 -11.826 -10.701 3.926 10 H SER 10 H SER 10 -14.044 -14.591 -0.090 11 HA SER 10 HA SER 10 -14.175 -15.118 -2.290 12 HB2 SER 10 2HB SER 10 -15.997 -16.759 -1.368 13 HB3 SER 10 1HB SER 10 -17.116 -15.636 -2.141 14 HG SER 10 HG SER 10 -16.444 -16.259 -4.056 15 H ALA 11 H ALA 11 -17.312 -13.573 -1.467 16 HA ALA 11 HA ALA 11 -17.686 -12.122 -3.771 17 HB1 ALA 11 1HB ALA 11 -18.348 -10.928 -1.103 18 HB2 ALA 11 2HB ALA 11 -19.209 -12.339 -1.718 19 HB3 ALA 11 3HB ALA 11 -19.241 -10.823 -2.619 20 H PHE 12 H PHE 12 -15.612 -11.342 -1.042 21 HA PHE 12 HA PHE 12 -14.781 -8.859 -2.356 22 HB2 PHE 12 2HB PHE 12 -14.868 -9.801 0.436 23 HB3 PHE 12 1HB PHE 12 -13.432 -8.877 0.006 24 HD1 PHE 12 1HD PHE 12 -17.077 -8.775 0.368 25 HD2 PHE 12 2HD PHE 12 -13.566 -6.547 -0.538 26 HE1 PHE 12 1HE PHE 12 -18.345 -6.682 0.616 27 HE2 PHE 12 2HE PHE 12 -14.827 -4.451 -0.289 28 HZ PHE 12 HZ PHE 12 -17.220 -4.516 0.290 29 H VAL 13 H VAL 13 -13.588 -12.001 -1.310 30 HA VAL 13 HA VAL 13 -10.833 -11.518 -1.656 31 HB VAL 13 HB VAL 13 -12.313 -14.144 -1.939 32 HG11 VAL 13 1HG1 VAL 13 -9.400 -13.630 -1.328 33 HG12 VAL 13 2HG1 VAL 13 -10.028 -14.144 -2.894 34 HG13 VAL 13 3HG1 VAL 13 -10.184 -15.202 -1.491 35 HG21 VAL 13 3HG2 VAL 13 -10.915 -13.024 0.490 36 HG22 VAL 13 1HG2 VAL 13 -11.859 -14.510 0.385 37 HG23 VAL 13 2HG2 VAL 13 -12.656 -12.946 0.228 38 H THR 14 H THR 14 -13.270 -12.884 -3.868 39 HA THR 14 HA THR 14 -11.553 -13.379 -6.032 40 HB THR 14 HB THR 14 -14.486 -12.643 -6.143 41 HG1 THR 14 1HG THR 14 -13.212 -15.142 -5.726 42 HG21 THR 14 3HG2 THR 14 -13.550 -12.642 -8.349 43 HG22 THR 14 1HG2 THR 14 -14.533 -14.089 -8.135 44 HG23 THR 14 2HG2 THR 14 -12.774 -14.200 -8.064 45 H LYS 15 H LYS 15 -13.506 -10.512 -5.231 46 HA LYS 15 HA LYS 15 -12.864 -9.011 -7.525 47 HB2 LYS 15 2HB LYS 15 -13.851 -8.297 -4.784 48 HB3 LYS 15 1HB LYS 15 -13.410 -7.030 -5.921 49 HG2 LYS 15 2HG LYS 15 -14.999 -8.198 -7.552 50 HG3 LYS 15 1HG LYS 15 -15.602 -9.059 -6.134 51 HD2 LYS 15 2HD LYS 15 -15.694 -6.574 -5.172 52 HD3 LYS 15 1HD LYS 15 -15.874 -6.205 -6.889 53 HE2 LYS 15 2HE LYS 15 -17.708 -7.936 -6.944 54 HE3 LYS 15 1HE LYS 15 -17.613 -7.973 -5.183 55 HZ1 LYS 15 3HZ LYS 15 -19.315 -6.470 -5.697 56 HZ2 LYS 15 1HZ LYS 15 -18.420 -5.717 -6.921 57 HZ3 LYS 15 2HZ LYS 15 -17.994 -5.491 -5.300 58 H ALA 16 H ALA 16 -11.227 -9.406 -4.434 59 HA ALA 16 HA ALA 16 -9.363 -7.308 -4.680 60 HB1 ALA 16 1HB ALA 16 -9.859 -8.598 -2.589 61 HB2 ALA 16 2HB ALA 16 -8.144 -8.359 -2.921 62 HB3 ALA 16 3HB ALA 16 -8.897 -9.920 -3.251 63 H GLU 17 H GLU 17 -9.268 -10.690 -5.741 64 HA GLU 17 HA GLU 17 -6.595 -10.760 -6.592 65 HB2 GLU 17 2HB GLU 17 -8.981 -12.279 -7.658 66 HB3 GLU 17 1HB GLU 17 -7.302 -12.665 -8.012 67 HG2 GLU 17 2HG GLU 17 -6.874 -13.275 -5.765 68 HG3 GLU 17 1HG GLU 17 -8.411 -12.605 -5.221 69 H GLU 18 H GLU 18 -9.553 -9.799 -8.295 70 HA GLU 18 HA GLU 18 -8.333 -9.413 -10.823 71 HB2 GLU 18 2HB GLU 18 -10.885 -8.377 -9.601 72 HB3 GLU 18 1HB GLU 18 -10.392 -7.959 -11.238 73 HG2 GLU 18 2HG GLU 18 -10.374 -10.830 -10.586 74 HG3 GLU 18 1HG GLU 18 -11.956 -10.057 -10.624 75 H MET 19 H MET 19 -8.600 -7.413 -7.964 76 HA MET 19 HA MET 19 -7.983 -4.934 -9.206 77 HB2 MET 19 2HB MET 19 -8.911 -5.582 -6.773 78 HB3 MET 19 1HB MET 19 -7.212 -5.369 -6.372 79 HG2 MET 19 2HG MET 19 -8.412 -3.319 -5.999 80 HG3 MET 19 1HG MET 19 -7.280 -3.116 -7.335 81 HE1 MET 19 3HE MET 19 -7.714 -1.924 -9.110 82 HE2 MET 19 1HE MET 19 -9.233 -1.612 -9.951 83 HE3 MET 19 2HE MET 19 -8.409 -3.156 -10.164 84 H ILE 20 H ILE 20 -5.998 -7.333 -7.476 85 HA ILE 20 HA ILE 20 -3.567 -5.889 -7.816 86 HB ILE 20 HB ILE 20 -2.496 -8.055 -7.135 87 HG12 ILE 20 2HG1 ILE 20 -5.288 -9.003 -6.526 88 HG13 ILE 20 1HG1 ILE 20 -4.474 -9.435 -8.025 89 HG21 ILE 20 1HG2 ILE 20 -3.266 -6.196 -5.594 90 HG22 ILE 20 2HG2 ILE 20 -3.014 -7.780 -4.861 91 HG23 ILE 20 3HG2 ILE 20 -4.649 -7.225 -5.220 92 HD11 ILE 20 3HD1 ILE 20 -4.180 -11.219 -6.495 93 HD12 ILE 20 1HD1 ILE 20 -3.642 -10.122 -5.224 94 HD13 ILE 20 2HD1 ILE 20 -2.630 -10.391 -6.643 95 H LYS 21 H LYS 21 -5.417 -7.852 -9.909 96 HA LYS 21 HA LYS 21 -3.430 -9.106 -11.428 97 HB2 LYS 21 2HB LYS 21 -6.275 -8.384 -11.821 98 HB3 LYS 21 1HB LYS 21 -5.341 -8.678 -13.281 99 HG2 LYS 21 2HG LYS 21 -4.688 -10.881 -12.384 100 HG3 LYS 21 1HG LYS 21 -5.714 -10.584 -10.980 101 HD2 LYS 21 2HD LYS 21 -6.898 -11.959 -12.579 102 HD3 LYS 21 1HD LYS 21 -7.659 -10.370 -12.487 103 HE2 LYS 21 2HE LYS 21 -7.266 -9.961 -14.646 104 HE3 LYS 21 1HE LYS 21 -5.580 -10.452 -14.504 105 HZ1 LYS 21 3HZ LYS 21 -6.033 -12.542 -15.200 106 HZ2 LYS 21 1HZ LYS 21 -7.322 -11.768 -15.977 107 HZ3 LYS 21 2HZ LYS 21 -7.579 -12.579 -14.516 108 H SER 22 H SER 22 -5.292 -6.205 -12.367 109 HA SER 22 HA SER 22 -3.207 -5.441 -14.232 110 HB2 SER 22 2HB SER 22 -5.798 -5.265 -14.564 111 HB3 SER 22 1HB SER 22 -5.623 -3.757 -13.667 112 HG SER 22 HG SER 22 -4.884 -4.369 -16.237 113 H HIS 23 H HIS 23 -4.222 -4.631 -11.020 114 HA HIS 23 HA HIS 23 -2.321 -2.383 -11.024 115 HB2 HIS 23 2HB HIS 23 -4.918 -2.696 -9.520 116 HB3 HIS 23 1HB HIS 23 -3.703 -1.503 -9.075 117 HD1 HIS 23 1HD HIS 23 -5.890 -2.429 -12.033 118 HD2 HIS 23 2HD HIS 23 -3.858 0.834 -10.461 119 HE1 HIS 23 1HE HIS 23 -6.560 -0.470 -13.459 120 HE2 HIS 23 2HE HIS 23 -5.230 1.471 -12.557 121 HA PRO 24 HA PRO 24 -0.876 -5.725 -8.081 122 HB2 PRO 24 2HB PRO 24 1.674 -5.833 -8.996 123 HB3 PRO 24 1HB PRO 24 0.363 -6.794 -9.689 124 HG2 PRO 24 2HG PRO 24 1.553 -4.229 -10.671 125 HG3 PRO 24 1HG PRO 24 1.094 -5.674 -11.590 126 HD2 PRO 24 2HD PRO 24 -0.465 -3.462 -11.475 127 HD3 PRO 24 1HD PRO 24 -1.134 -5.099 -11.626 128 H TYR 25 H TYR 25 0.543 -2.663 -9.143 129 HA TYR 25 HA TYR 25 2.025 -2.363 -6.660 130 HB2 TYR 25 2HB TYR 25 1.849 -0.760 -9.207 131 HB3 TYR 25 1HB TYR 25 2.660 -0.143 -7.778 132 HD1 TYR 25 2HD TYR 25 2.788 -2.622 -10.471 133 HD2 TYR 25 1HD TYR 25 4.783 -1.073 -7.046 134 HE1 TYR 25 2HE TYR 25 4.839 -3.800 -11.139 135 HE2 TYR 25 1HE TYR 25 6.839 -2.246 -7.708 136 HH TYR 25 HH TYR 25 7.412 -3.421 -10.690 137 H PHE 26 H PHE 26 -0.181 -2.461 -5.566 138 HA PHE 26 HA PHE 26 -1.472 0.179 -5.550 139 HB2 PHE 26 2HB PHE 26 -2.548 -2.431 -5.650 140 HB3 PHE 26 1HB PHE 26 -2.931 -1.796 -4.054 141 HD1 PHE 26 2HD PHE 26 -2.748 -0.194 -7.424 142 HD2 PHE 26 1HD PHE 26 -5.124 -1.122 -4.016 143 HE1 PHE 26 2HE PHE 26 -4.618 1.086 -8.383 144 HE2 PHE 26 1HE PHE 26 -6.997 0.154 -4.971 145 HZ PHE 26 HZ PHE 26 -6.746 1.261 -7.156 146 H GLN 27 H GLN 27 -1.669 1.347 -3.701 147 HA GLN 27 HA GLN 27 -0.448 0.237 -1.260 148 HB2 GLN 27 2HB GLN 27 -0.063 2.923 -2.554 149 HB3 GLN 27 1HB GLN 27 0.189 2.717 -0.826 150 HG2 GLN 27 2HG GLN 27 2.310 2.463 -1.711 151 HG3 GLN 27 1HG GLN 27 1.764 0.802 -1.488 152 HE21 GLN 27 1HE2 GLN 27 3.633 0.610 -3.075 153 HE22 GLN 27 2HE2 GLN 27 3.218 0.634 -4.750 154 H LEU 28 H LEU 28 -1.935 0.033 0.269 155 HA LEU 28 HA LEU 28 -4.365 1.613 0.188 156 HB2 LEU 28 2HB LEU 28 -3.481 -0.882 1.471 157 HB3 LEU 28 1HB LEU 28 -4.559 0.093 2.452 158 HG LEU 28 HG LEU 28 -5.754 -1.615 1.133 159 HD11 LEU 28 1HD1 LEU 28 -7.254 0.012 1.596 160 HD12 LEU 28 2HD1 LEU 28 -7.203 0.223 -0.153 161 HD13 LEU 28 3HD1 LEU 28 -6.261 1.287 0.891 162 HD21 LEU 28 3HD2 LEU 28 -4.432 -1.820 -0.823 163 HD22 LEU 28 1HD2 LEU 28 -4.586 -0.102 -1.193 164 HD23 LEU 28 2HD2 LEU 28 -5.985 -1.165 -1.340 165 H SER 29 H SER 29 -3.894 3.674 0.803 166 HA SER 29 HA SER 29 -2.678 4.049 3.461 167 HB2 SER 29 2HB SER 29 -2.502 5.587 0.921 168 HB3 SER 29 1HB SER 29 -2.527 6.520 2.417 169 HG SER 29 HG SER 29 -0.544 4.974 1.364 170 H ALA 30 H ALA 30 -3.434 6.264 4.446 171 HA ALA 30 HA ALA 30 -6.358 6.151 4.580 172 HB1 ALA 30 1HB ALA 30 -4.499 6.243 6.554 173 HB2 ALA 30 2HB ALA 30 -6.177 6.753 6.743 174 HB3 ALA 30 3HB ALA 30 -4.922 7.947 6.409 175 H SER 31 H SER 31 -7.175 8.555 5.317 176 HA SER 31 HA SER 31 -6.618 10.208 2.965 177 HB2 SER 31 2HB SER 31 -8.658 11.445 3.635 178 HB3 SER 31 1HB SER 31 -8.963 9.720 3.435 179 HG SER 31 HG SER 31 -9.466 11.188 5.552 180 H TRP 32 H TRP 32 -6.514 10.364 6.504 181 HA TRP 32 HA TRP 32 -4.602 12.536 6.342 182 HB2 TRP 32 2HB TRP 32 -6.976 13.522 6.446 183 HB3 TRP 32 1HB TRP 32 -7.019 12.923 8.100 184 HD1 TRP 32 HD TRP 32 -5.426 14.128 9.887 185 HE1 TRP 32 1HE TRP 32 -4.302 16.441 9.887 186 HE3 TRP 32 3HE TRP 32 -5.877 15.254 4.919 187 HZ2 TRP 32 2HZ TRP 32 -3.688 18.475 8.032 188 HZ3 TRP 32 3HZ TRP 32 -4.994 17.406 4.115 189 HH2 TRP 32 HH TRP 32 -3.923 18.982 5.641 190 H CYS 33 H CYS 33 -3.423 10.553 7.090 191 HA CYS 33 HA CYS 33 -3.617 10.316 10.024 192 HB2 CYS 33 2HB CYS 33 -3.995 8.267 8.137 193 HB3 CYS 33 1HB CYS 33 -2.395 7.991 8.815 194 HG CYS 33 HG CYS 33 -4.965 7.357 10.177 195 HA PRO 34 HA PRO 34 0.584 11.624 10.370 196 HB2 PRO 34 2HB PRO 34 0.927 9.349 12.259 197 HB3 PRO 34 1HB PRO 34 1.267 11.067 12.491 198 HG2 PRO 34 2HG PRO 34 -0.871 9.951 13.611 199 HG3 PRO 34 1HG PRO 34 -0.953 11.584 12.924 200 HD2 PRO 34 2HD PRO 34 -1.972 9.004 11.809 201 HD3 PRO 34 1HD PRO 34 -2.690 10.626 11.741 202 H ASP 35 H ASP 35 -0.154 8.255 9.706 203 HA ASP 35 HA ASP 35 2.574 7.674 8.888 204 HB2 ASP 35 2HB ASP 35 0.078 5.966 8.816 205 HB3 ASP 35 1HB ASP 35 1.688 5.415 8.373 206 H CYS 36 H CYS 36 -0.630 8.112 7.429 207 HA CYS 36 HA CYS 36 0.021 7.444 4.793 208 HB2 CYS 36 2HB CYS 36 -2.292 7.760 5.494 209 HB3 CYS 36 1HB CYS 36 -1.991 9.469 5.797 210 HG CYS 36 HG CYS 36 -2.963 8.476 3.259 211 H VAL 37 H VAL 37 0.234 10.552 6.500 212 HA VAL 37 HA VAL 37 0.969 12.182 4.372 213 HB VAL 37 HB VAL 37 2.055 13.657 6.032 214 HG11 VAL 37 1HG1 VAL 37 -0.619 12.532 6.852 215 HG12 VAL 37 2HG1 VAL 37 -0.331 13.830 5.693 216 HG13 VAL 37 3HG1 VAL 37 0.043 14.072 7.400 217 HG21 VAL 37 3HG2 VAL 37 1.967 11.198 7.640 218 HG22 VAL 37 1HG2 VAL 37 1.499 12.668 8.494 219 HG23 VAL 37 2HG2 VAL 37 3.078 12.564 7.716 220 H TYR 38 H TYR 38 2.915 9.910 6.219 221 HA TYR 38 HA TYR 38 5.452 10.823 5.306 222 HB2 TYR 38 2HB TYR 38 4.919 9.322 7.336 223 HB3 TYR 38 1HB TYR 38 4.871 7.999 6.176 224 HD1 TYR 38 2HD TYR 38 7.117 10.884 7.003 225 HD2 TYR 38 1HD TYR 38 6.809 6.766 5.970 226 HE1 TYR 38 2HE TYR 38 9.560 10.664 7.172 227 HE2 TYR 38 1HE TYR 38 9.251 6.537 6.138 228 HH TYR 38 HH TYR 38 11.304 8.381 5.885 229 H ALA 39 H ALA 39 3.513 7.949 4.400 230 HA ALA 39 HA ALA 39 5.138 7.118 2.275 231 HB1 ALA 39 1HB ALA 39 2.990 6.050 3.482 232 HB2 ALA 39 2HB ALA 39 3.602 5.500 1.923 233 HB3 ALA 39 3HB ALA 39 2.241 6.620 1.991 234 H ASN 40 H ASN 40 2.460 9.429 2.345 235 HA ASN 40 HA ASN 40 2.365 9.756 -0.496 236 HB2 ASN 40 2HB ASN 40 1.015 10.968 1.849 237 HB3 ASN 40 1HB ASN 40 1.126 11.973 0.408 238 HD21 ASN 40 1HD2 ASN 40 -1.197 11.825 0.374 239 HD22 ASN 40 2HD2 ASN 40 -1.954 10.443 -0.332 240 H SER 41 H SER 41 4.050 11.298 2.159 241 HA SER 41 HA SER 41 4.847 13.637 0.817 242 HB2 SER 41 2HB SER 41 5.027 13.582 3.203 243 HB3 SER 41 1HB SER 41 6.051 12.148 3.156 244 HG SER 41 HG SER 41 6.705 14.770 2.297 245 H ILE 42 H ILE 42 6.511 10.527 1.305 246 HA ILE 42 HA ILE 42 8.838 11.199 -0.147 247 HB ILE 42 HB ILE 42 7.719 8.421 0.238 248 HG12 ILE 42 2HG1 ILE 42 7.880 9.617 2.395 249 HG13 ILE 42 1HG1 ILE 42 9.050 8.309 2.287 250 HG21 ILE 42 1HG2 ILE 42 9.453 8.144 -1.237 251 HG22 ILE 42 2HG2 ILE 42 10.315 8.021 0.298 252 HG23 ILE 42 3HG2 ILE 42 10.349 9.529 -0.615 253 HD11 ILE 42 3HD1 ILE 42 10.827 9.860 1.873 254 HD12 ILE 42 1HD1 ILE 42 9.940 10.376 3.307 255 HD13 ILE 42 2HD1 ILE 42 9.687 11.201 1.770 256 H TRP 43 H TRP 43 5.812 9.620 -1.115 257 HA TRP 43 HA TRP 43 6.639 8.986 -3.750 258 HB2 TRP 43 2HB TRP 43 4.139 8.916 -2.212 259 HB3 TRP 43 1HB TRP 43 3.909 9.221 -3.930 260 HD1 TRP 43 HD TRP 43 2.962 6.905 -4.637 261 HE1 TRP 43 1HE TRP 43 3.903 4.510 -4.667 262 HE3 TRP 43 3HE TRP 43 7.222 7.658 -1.902 263 HZ2 TRP 43 2HZ TRP 43 6.149 3.125 -3.673 264 HZ3 TRP 43 3HZ TRP 43 8.709 5.744 -1.489 265 HH2 TRP 43 HH TRP 43 8.181 3.525 -2.356 266 H ASN 44 H ASN 44 5.043 11.795 -2.327 267 HA ASN 44 HA ASN 44 4.518 13.094 -4.817 268 HB2 ASN 44 2HB ASN 44 4.307 13.807 -1.940 269 HB3 ASN 44 1HB ASN 44 4.433 15.139 -3.082 270 HD21 ASN 44 1HD2 ASN 44 2.362 15.878 -2.801 271 HD22 ASN 44 2HD2 ASN 44 0.968 14.998 -3.316 272 H LYS 45 H LYS 45 7.227 13.031 -2.595 273 HA LYS 45 HA LYS 45 8.532 15.312 -3.775 274 HB2 LYS 45 2HB LYS 45 8.729 14.234 -1.338 275 HB3 LYS 45 1HB LYS 45 10.045 13.360 -2.111 276 HG2 LYS 45 2HG LYS 45 11.378 15.153 -2.130 277 HG3 LYS 45 1HG LYS 45 10.078 16.233 -2.639 278 HD2 LYS 45 2HD LYS 45 10.398 17.070 -0.551 279 HD3 LYS 45 1HD LYS 45 9.276 15.775 -0.133 280 HE2 LYS 45 2HE LYS 45 10.866 15.222 1.364 281 HE3 LYS 45 1HE LYS 45 11.620 14.440 -0.023 282 HZ1 LYS 45 3HZ LYS 45 12.903 16.157 1.507 283 HZ2 LYS 45 1HZ LYS 45 12.245 17.261 0.406 284 HZ3 LYS 45 2HZ LYS 45 13.235 16.004 -0.143 285 H LEU 46 H LEU 46 8.630 11.815 -4.112 286 HA LEU 46 HA LEU 46 11.006 11.842 -5.734 287 HB2 LEU 46 2HB LEU 46 9.074 9.744 -4.846 288 HB3 LEU 46 1HB LEU 46 10.174 9.398 -6.165 289 HG LEU 46 HG LEU 46 11.083 10.309 -3.437 290 HD11 LEU 46 1HD1 LEU 46 9.849 7.962 -3.827 291 HD12 LEU 46 2HD1 LEU 46 11.186 8.176 -2.697 292 HD13 LEU 46 3HD1 LEU 46 11.488 7.515 -4.303 293 HD21 LEU 46 3HD2 LEU 46 13.206 10.120 -4.184 294 HD22 LEU 46 1HD2 LEU 46 12.457 10.412 -5.754 295 HD23 LEU 46 2HD2 LEU 46 12.828 8.764 -5.246 296 H ASN 47 H ASN 47 7.784 12.601 -6.373 297 HA ASN 47 HA ASN 47 6.535 12.819 -8.253 298 HB2 ASN 47 2HB ASN 47 8.463 14.291 -8.795 299 HB3 ASN 47 1HB ASN 47 9.242 12.929 -9.590 300 HD21 ASN 47 1HD2 ASN 47 8.985 12.833 -11.707 301 HD22 ASN 47 2HD2 ASN 47 7.679 13.519 -12.604 302 H VAL 48 H VAL 48 6.695 10.222 -7.448 303 HA VAL 48 HA VAL 48 6.846 8.759 -10.002 304 HB VAL 48 HB VAL 48 7.334 6.699 -8.622 305 HG11 VAL 48 1HG1 VAL 48 9.092 7.631 -9.908 306 HG12 VAL 48 2HG1 VAL 48 9.759 7.297 -8.310 307 HG13 VAL 48 3HG1 VAL 48 9.329 8.947 -8.761 308 HG21 VAL 48 3HG2 VAL 48 8.227 6.950 -6.399 309 HG22 VAL 48 1HG2 VAL 48 6.618 7.672 -6.453 310 HG23 VAL 48 2HG2 VAL 48 8.048 8.703 -6.481 311 H GLN 49 H GLN 49 4.538 10.060 -9.229 312 HA GLN 49 HA GLN 49 2.802 8.054 -8.004 313 HB2 GLN 49 2HB GLN 49 1.105 9.793 -7.952 314 HB3 GLN 49 1HB GLN 49 2.606 10.389 -7.259 315 HG2 GLN 49 2HG GLN 49 3.060 11.367 -9.588 316 HG3 GLN 49 1HG GLN 49 1.348 11.076 -9.887 317 HE21 GLN 49 1HE2 GLN 49 0.594 13.117 -9.945 318 HE22 GLN 49 2HE2 GLN 49 0.689 14.232 -8.630 319 H ASP 50 H ASP 50 3.991 7.971 -10.844 320 HA ASP 50 HA ASP 50 1.454 7.665 -12.304 321 HB2 ASP 50 2HB ASP 50 4.217 8.418 -13.204 322 HB3 ASP 50 1HB ASP 50 3.090 7.677 -14.337 323 H LYS 51 H LYS 51 4.676 6.217 -11.853 324 HA LYS 51 HA LYS 51 4.087 3.813 -13.242 325 HB2 LYS 51 2HB LYS 51 6.189 4.334 -11.131 326 HB3 LYS 51 1HB LYS 51 6.143 2.946 -12.207 327 HG2 LYS 51 2HG LYS 51 6.137 4.838 -14.058 328 HG3 LYS 51 1HG LYS 51 6.906 5.757 -12.762 329 HD2 LYS 51 2HD LYS 51 8.220 3.337 -12.680 330 HD3 LYS 51 1HD LYS 51 7.962 3.592 -14.407 331 HE2 LYS 51 2HE LYS 51 8.854 5.980 -13.933 332 HE3 LYS 51 1HE LYS 51 9.489 5.268 -12.450 333 HZ1 LYS 51 3HZ LYS 51 11.086 5.271 -14.315 334 HZ2 LYS 51 1HZ LYS 51 10.063 4.230 -15.173 335 HZ3 LYS 51 2HZ LYS 51 10.767 3.719 -13.721 336 H VAL 52 H VAL 52 3.413 4.906 -10.025 337 HA VAL 52 HA VAL 52 2.521 2.205 -9.265 338 HB VAL 52 HB VAL 52 4.347 3.121 -7.853 339 HG11 VAL 52 1HG1 VAL 52 2.463 5.105 -6.673 340 HG12 VAL 52 2HG1 VAL 52 3.337 5.524 -8.146 341 HG13 VAL 52 3HG1 VAL 52 4.227 5.091 -6.688 342 HG21 VAL 52 3HG2 VAL 52 3.455 2.407 -5.825 343 HG22 VAL 52 1HG2 VAL 52 2.446 1.601 -7.024 344 HG23 VAL 52 2HG2 VAL 52 1.851 3.040 -6.196 345 H PHE 53 H PHE 53 0.554 2.127 -7.921 346 HA PHE 53 HA PHE 53 -1.232 4.400 -8.437 347 HB2 PHE 53 2HB PHE 53 -1.801 1.438 -8.561 348 HB3 PHE 53 1HB PHE 53 -3.080 2.639 -8.427 349 HD1 PHE 53 1HD PHE 53 -0.159 1.711 -10.541 350 HD2 PHE 53 2HD PHE 53 -3.971 3.595 -10.336 351 HE1 PHE 53 1HE PHE 53 -0.150 1.989 -12.985 352 HE2 PHE 53 2HE PHE 53 -3.968 3.875 -12.780 353 HZ PHE 53 HZ PHE 53 -2.056 3.071 -14.108 354 H VAL 54 H VAL 54 -1.567 5.402 -6.624 355 HA VAL 54 HA VAL 54 -1.790 3.892 -4.107 356 HB VAL 54 HB VAL 54 -1.388 6.871 -4.364 357 HG11 VAL 54 1HG1 VAL 54 -2.243 5.642 -2.215 358 HG12 VAL 54 2HG1 VAL 54 -1.029 6.914 -2.096 359 HG13 VAL 54 3HG1 VAL 54 -0.540 5.221 -2.029 360 HG21 VAL 54 3HG2 VAL 54 0.617 6.295 -5.252 361 HG22 VAL 54 1HG2 VAL 54 0.572 4.664 -4.581 362 HG23 VAL 54 2HG2 VAL 54 1.028 6.027 -3.559 363 H PHE 55 H PHE 55 -3.660 3.866 -2.992 364 HA PHE 55 HA PHE 55 -5.793 5.720 -3.813 365 HB2 PHE 55 2HB PHE 55 -6.008 3.275 -4.621 366 HB3 PHE 55 1HB PHE 55 -6.367 2.900 -2.939 367 HD1 PHE 55 1HD PHE 55 -7.475 4.944 -5.824 368 HD2 PHE 55 2HD PHE 55 -8.509 3.235 -2.065 369 HE1 PHE 55 1HE PHE 55 -9.828 5.557 -6.196 370 HE2 PHE 55 2HE PHE 55 -10.864 3.844 -2.432 371 HZ PHE 55 HZ PHE 55 -11.526 5.006 -4.500 372 H ASP 56 H ASP 56 -6.800 6.769 -2.222 373 HA ASP 56 HA ASP 56 -6.000 6.195 0.528 374 HB2 ASP 56 2HB ASP 56 -7.241 8.579 -0.824 375 HB3 ASP 56 1HB ASP 56 -7.252 8.425 0.927 376 H ILE 57 H ILE 57 -7.427 5.733 2.166 377 HA ILE 57 HA ILE 57 -10.247 5.377 1.425 378 HB ILE 57 HB ILE 57 -10.233 3.306 2.916 379 HG12 ILE 57 2HG1 ILE 57 -7.295 3.268 2.204 380 HG13 ILE 57 1HG1 ILE 57 -7.890 3.762 3.786 381 HG21 ILE 57 1HG2 ILE 57 -8.637 2.740 0.486 382 HG22 ILE 57 2HG2 ILE 57 -10.164 3.599 0.279 383 HG23 ILE 57 3HG2 ILE 57 -10.141 2.014 1.054 384 HD11 ILE 57 3HD1 ILE 57 -8.648 1.113 2.633 385 HD12 ILE 57 1HD1 ILE 57 -8.607 1.628 4.319 386 HD13 ILE 57 2HD1 ILE 57 -7.100 1.341 3.447 387 H GLY 58 H GLY 58 -10.495 7.410 2.527 388 HA2 GLY 58 2HA GLY 58 -10.478 7.110 5.468 389 HA3 GLY 58 1HA GLY 58 -10.142 8.630 4.661 390 H SER 59 H SER 59 -12.291 8.329 2.684 391 HA SER 59 HA SER 59 -14.381 9.578 4.090 392 HB2 SER 59 2HB SER 59 -14.154 8.425 1.322 393 HB3 SER 59 1HB SER 59 -15.698 9.039 1.913 394 HG SER 59 HG SER 59 -14.645 10.713 0.897 395 H LEU 60 H LEU 60 -13.904 6.239 3.097 396 HA LEU 60 HA LEU 60 -16.456 5.226 3.571 397 HB2 LEU 60 2HB LEU 60 -15.182 3.047 4.045 398 HB3 LEU 60 1HB LEU 60 -15.041 3.774 2.458 399 HG LEU 60 HG LEU 60 -12.946 4.638 4.316 400 HD11 LEU 60 1HD1 LEU 60 -13.275 1.730 3.636 401 HD12 LEU 60 2HD1 LEU 60 -13.025 2.466 5.220 402 HD13 LEU 60 3HD1 LEU 60 -11.714 2.446 4.040 403 HD21 LEU 60 3HD2 LEU 60 -11.974 5.027 2.360 404 HD22 LEU 60 1HD2 LEU 60 -13.378 4.350 1.539 405 HD23 LEU 60 2HD2 LEU 60 -12.020 3.310 1.965 406 HA PRO 61 HA PRO 61 -16.769 5.880 7.990 407 HB2 PRO 61 2HB PRO 61 -19.161 4.166 7.677 408 HB3 PRO 61 1HB PRO 61 -19.031 5.807 8.317 409 HG2 PRO 61 2HG PRO 61 -20.124 5.334 5.928 410 HG3 PRO 61 1HG PRO 61 -19.128 6.774 6.216 411 HD2 PRO 61 2HD PRO 61 -18.408 4.212 4.838 412 HD3 PRO 61 1HD PRO 61 -17.998 5.883 4.397 413 H ARG 62 H ARG 62 -17.599 4.269 9.844 414 HA ARG 62 HA ARG 62 -15.620 2.301 10.111 415 HB2 ARG 62 2HB ARG 62 -16.747 1.650 12.165 416 HB3 ARG 62 1HB ARG 62 -16.683 3.400 12.030 417 HG2 ARG 62 2HG ARG 62 -19.129 2.260 10.927 418 HG3 ARG 62 1HG ARG 62 -18.902 1.907 12.640 419 HD2 ARG 62 2HD ARG 62 -18.593 4.677 11.519 420 HD3 ARG 62 1HD ARG 62 -20.156 4.045 12.031 421 HE ARG 62 HE ARG 62 -18.537 3.621 14.180 422 HH11 ARG 62 1HH1 ARG 62 -19.364 6.441 12.270 423 HH12 ARG 62 2HH1 ARG 62 -19.156 7.547 13.584 424 HH21 ARG 62 1HH2 ARG 62 -18.266 5.095 15.916 425 HH22 ARG 62 2HH2 ARG 62 -18.534 6.785 15.650 426 H ASN 63 H ASN 63 -18.911 2.096 8.895 427 HA ASN 63 HA ASN 63 -19.218 -0.700 9.029 428 HB2 ASN 63 2HB ASN 63 -20.978 1.136 8.519 429 HB3 ASN 63 1HB ASN 63 -20.450 0.969 6.847 430 HD21 ASN 63 1HD2 ASN 63 -21.169 -1.239 9.545 431 HD22 ASN 63 2HD2 ASN 63 -22.205 -2.278 8.634 432 H GLU 64 H GLU 64 -18.059 1.390 6.378 433 HA GLU 64 HA GLU 64 -17.490 -0.813 4.648 434 HB2 GLU 64 2HB GLU 64 -17.215 2.111 4.560 435 HB3 GLU 64 1HB GLU 64 -15.975 1.241 3.667 436 HG2 GLU 64 2HG GLU 64 -17.815 1.801 2.215 437 HG3 GLU 64 1HG GLU 64 -17.711 0.055 2.416 438 H GLN 65 H GLN 65 -15.642 1.044 6.990 439 HA GLN 65 HA GLN 65 -13.055 0.292 6.280 440 HB2 GLN 65 2HB GLN 65 -14.030 1.896 8.169 441 HB3 GLN 65 1HB GLN 65 -13.738 0.482 9.173 442 HG2 GLN 65 2HG GLN 65 -11.397 0.470 8.476 443 HG3 GLN 65 1HG GLN 65 -11.694 1.887 7.469 444 HE21 GLN 65 1HE2 GLN 65 -11.325 3.805 8.345 445 HE22 GLN 65 2HE2 GLN 65 -11.179 4.132 10.035 446 H GLU 66 H GLU 66 -15.368 -1.335 8.446 447 HA GLU 66 HA GLU 66 -13.732 -3.419 9.310 448 HB2 GLU 66 2HB GLU 66 -16.099 -2.781 10.084 449 HB3 GLU 66 1HB GLU 66 -16.669 -3.777 8.751 450 HG2 GLU 66 2HG GLU 66 -16.681 -5.375 10.330 451 HG3 GLU 66 1HG GLU 66 -14.977 -5.507 9.898 452 H LYS 67 H LYS 67 -15.910 -3.302 6.492 453 HA LYS 67 HA LYS 67 -15.469 -5.891 5.546 454 HB2 LYS 67 2HB LYS 67 -16.451 -3.348 4.368 455 HB3 LYS 67 1HB LYS 67 -15.912 -4.581 3.236 456 HG2 LYS 67 2HG LYS 67 -17.744 -5.453 5.388 457 HG3 LYS 67 1HG LYS 67 -18.415 -4.420 4.125 458 HD2 LYS 67 2HD LYS 67 -18.374 -6.066 2.616 459 HD3 LYS 67 1HD LYS 67 -16.732 -6.540 3.058 460 HE2 LYS 67 2HE LYS 67 -19.157 -7.252 4.695 461 HE3 LYS 67 1HE LYS 67 -18.520 -8.284 3.415 462 HZ1 LYS 67 3HZ LYS 67 -17.724 -8.874 5.665 463 HZ2 LYS 67 1HZ LYS 67 -16.938 -7.379 5.761 464 HZ3 LYS 67 2HZ LYS 67 -16.469 -8.509 4.593 465 H TRP 68 H TRP 68 -13.787 -2.861 4.702 466 HA TRP 68 HA TRP 68 -11.984 -3.998 2.863 467 HB2 TRP 68 2HB TRP 68 -12.544 -1.454 3.643 468 HB3 TRP 68 1HB TRP 68 -10.995 -1.703 4.442 469 HD1 TRP 68 HD TRP 68 -8.861 -2.201 2.830 470 HE1 TRP 68 1HE TRP 68 -8.419 -1.537 0.384 471 HE3 TRP 68 3HE TRP 68 -13.644 -1.071 1.414 472 HZ2 TRP 68 2HZ TRP 68 -9.898 -0.646 -1.849 473 HZ3 TRP 68 3HZ TRP 68 -14.043 -0.322 -0.896 474 HH2 TRP 68 HH TRP 68 -12.207 -0.114 -2.492 475 H ARG 69 H ARG 69 -11.804 -3.543 6.369 476 HA ARG 69 HA ARG 69 -9.121 -4.223 6.760 477 HB2 ARG 69 2HB ARG 69 -11.466 -3.850 8.402 478 HB3 ARG 69 1HB ARG 69 -10.542 -5.233 8.972 479 HG2 ARG 69 2HG ARG 69 -9.408 -3.693 10.127 480 HG3 ARG 69 1HG ARG 69 -8.561 -3.436 8.600 481 HD2 ARG 69 2HD ARG 69 -10.639 -1.801 8.210 482 HD3 ARG 69 1HD ARG 69 -10.580 -1.752 9.971 483 HE ARG 69 HE ARG 69 -8.757 -0.521 8.159 484 HH11 ARG 69 1HH1 ARG 69 -8.976 -1.993 11.335 485 HH12 ARG 69 2HH1 ARG 69 -7.628 -1.114 11.970 486 HH21 ARG 69 1HH2 ARG 69 -6.980 0.636 9.009 487 HH22 ARG 69 2HH2 ARG 69 -6.498 0.382 10.652 488 H ILE 70 H ILE 70 -12.009 -6.314 6.919 489 HA ILE 70 HA ILE 70 -10.593 -8.720 7.357 490 HB ILE 70 HB ILE 70 -13.313 -8.427 6.071 491 HG12 ILE 70 2HG1 ILE 70 -13.185 -7.260 8.249 492 HG13 ILE 70 1HG1 ILE 70 -14.236 -8.669 8.322 493 HG21 ILE 70 1HG2 ILE 70 -11.713 -10.713 7.031 494 HG22 ILE 70 2HG2 ILE 70 -12.944 -10.637 5.771 495 HG23 ILE 70 3HG2 ILE 70 -13.422 -10.723 7.466 496 HD11 ILE 70 3HD1 ILE 70 -12.755 -8.374 10.294 497 HD12 ILE 70 1HD1 ILE 70 -11.373 -8.662 9.237 498 HD13 ILE 70 2HD1 ILE 70 -12.576 -9.928 9.481 499 H ALA 71 H ALA 71 -11.724 -7.123 4.400 500 HA ALA 71 HA ALA 71 -11.162 -9.167 2.572 501 HB1 ALA 71 1HB ALA 71 -11.698 -7.672 0.966 502 HB2 ALA 71 2HB ALA 71 -10.687 -6.402 1.653 503 HB3 ALA 71 3HB ALA 71 -12.275 -6.733 2.343 504 H PHE 72 H PHE 72 -9.127 -6.382 3.510 505 HA PHE 72 HA PHE 72 -6.884 -7.103 1.988 506 HB2 PHE 72 2HB PHE 72 -7.554 -4.994 3.658 507 HB3 PHE 72 1HB PHE 72 -6.206 -5.762 4.490 508 HD1 PHE 72 2HD PHE 72 -6.920 -5.245 0.861 509 HD2 PHE 72 1HD PHE 72 -4.326 -4.490 4.151 510 HE1 PHE 72 2HE PHE 72 -5.337 -4.120 -0.649 511 HE2 PHE 72 1HE PHE 72 -2.744 -3.362 2.645 512 HZ PHE 72 HZ PHE 72 -3.246 -3.177 0.244 513 H GLN 73 H GLN 73 -7.893 -8.054 5.232 514 HA GLN 73 HA GLN 73 -5.505 -9.275 6.066 515 HB2 GLN 73 2HB GLN 73 -8.347 -9.380 6.876 516 HB3 GLN 73 1HB GLN 73 -7.374 -10.775 7.324 517 HG2 GLN 73 2HG GLN 73 -5.755 -8.719 8.066 518 HG3 GLN 73 1HG GLN 73 -7.357 -8.050 8.374 519 HE21 GLN 73 1HE2 GLN 73 -7.736 -8.218 10.473 520 HE22 GLN 73 2HE2 GLN 73 -7.478 -9.627 11.438 521 H LYS 74 H LYS 74 -8.120 -10.407 4.014 522 HA LYS 74 HA LYS 74 -7.233 -13.139 3.970 523 HB2 LYS 74 2HB LYS 74 -9.571 -11.804 3.316 524 HB3 LYS 74 1HB LYS 74 -8.932 -12.297 1.759 525 HG2 LYS 74 2HG LYS 74 -10.319 -14.056 2.393 526 HG3 LYS 74 1HG LYS 74 -8.696 -14.625 2.789 527 HD2 LYS 74 2HD LYS 74 -9.027 -14.386 5.069 528 HD3 LYS 74 1HD LYS 74 -10.319 -13.202 4.861 529 HE2 LYS 74 2HE LYS 74 -11.677 -15.095 3.841 530 HE3 LYS 74 1HE LYS 74 -10.436 -16.182 4.461 531 HZ1 LYS 74 3HZ LYS 74 -10.968 -14.821 6.660 532 HZ2 LYS 74 1HZ LYS 74 -11.835 -16.206 6.221 533 HZ3 LYS 74 2HZ LYS 74 -12.474 -14.673 5.904 534 H VAL 75 H VAL 75 -6.650 -10.250 2.089 535 HA VAL 75 HA VAL 75 -5.535 -11.602 -0.179 536 HB VAL 75 HB VAL 75 -5.192 -8.701 0.605 537 HG11 VAL 75 1HG1 VAL 75 -5.115 -8.712 -2.075 538 HG12 VAL 75 2HG1 VAL 75 -4.442 -10.312 -1.759 539 HG13 VAL 75 3HG1 VAL 75 -3.676 -8.881 -1.069 540 HG21 VAL 75 3HG2 VAL 75 -7.168 -8.156 -0.424 541 HG22 VAL 75 1HG2 VAL 75 -7.592 -9.724 0.260 542 HG23 VAL 75 2HG2 VAL 75 -7.162 -9.595 -1.444 543 H VAL 76 H VAL 76 -4.195 -9.822 2.598 544 HA VAL 76 HA VAL 76 -1.678 -11.254 2.170 545 HB VAL 76 HB VAL 76 -0.436 -9.169 2.889 546 HG11 VAL 76 1HG1 VAL 76 -0.296 -9.923 0.630 547 HG12 VAL 76 2HG1 VAL 76 -0.527 -8.175 0.599 548 HG13 VAL 76 3HG1 VAL 76 -1.880 -9.249 0.247 549 HG21 VAL 76 3HG2 VAL 76 -2.139 -7.793 3.781 550 HG22 VAL 76 1HG2 VAL 76 -3.135 -7.957 2.334 551 HG23 VAL 76 2HG2 VAL 76 -1.642 -7.023 2.276 552 H GLY 77 H GLY 77 -3.584 -9.291 4.450 553 HA2 GLY 77 2HA GLY 77 -4.065 -10.282 6.634 554 HA3 GLY 77 1HA GLY 77 -2.425 -10.909 6.634 555 H SER 78 H SER 78 -3.748 -7.665 5.938 556 HA SER 78 HA SER 78 -2.164 -6.625 8.182 557 HB2 SER 78 2HB SER 78 -2.229 -5.654 5.332 558 HB3 SER 78 1HB SER 78 -1.814 -4.562 6.653 559 HG SER 78 HG SER 78 -0.409 -6.732 5.618 560 H ARG 79 H ARG 79 -3.734 -6.098 9.588 561 HA ARG 79 HA ARG 79 -6.154 -4.765 8.633 562 HB2 ARG 79 2HB ARG 79 -6.104 -6.717 10.326 563 HB3 ARG 79 1HB ARG 79 -5.578 -5.512 11.493 564 HG2 ARG 79 2HG ARG 79 -7.659 -4.196 10.773 565 HG3 ARG 79 1HG ARG 79 -8.197 -5.716 10.055 566 HD2 ARG 79 2HD ARG 79 -9.119 -5.952 12.118 567 HD3 ARG 79 1HD ARG 79 -7.531 -6.643 12.448 568 HE ARG 79 HE ARG 79 -7.120 -4.084 13.070 569 HH11 ARG 79 1HH1 ARG 79 -9.752 -6.235 13.939 570 HH12 ARG 79 2HH1 ARG 79 -10.066 -5.441 15.444 571 HH21 ARG 79 1HH2 ARG 79 -7.539 -3.049 15.063 572 HH22 ARG 79 2HH2 ARG 79 -8.811 -3.634 16.081 573 H ASN 80 H ASN 80 -3.760 -3.276 8.431 574 HA ASN 80 HA ASN 80 -4.493 -0.966 10.019 575 HB2 ASN 80 2HB ASN 80 -2.864 -2.233 11.441 576 HB3 ASN 80 1HB ASN 80 -1.668 -2.046 10.162 577 HD21 ASN 80 1HD2 ASN 80 -3.995 0.040 11.877 578 HD22 ASN 80 2HD2 ASN 80 -2.869 1.313 12.186 579 H LEU 81 H LEU 81 -3.743 0.996 9.158 580 HA LEU 81 HA LEU 81 -2.499 0.787 6.491 581 HB2 LEU 81 2HB LEU 81 -4.255 3.076 7.326 582 HB3 LEU 81 1HB LEU 81 -3.823 2.560 5.708 583 HG LEU 81 HG LEU 81 -5.610 0.972 7.547 584 HD11 LEU 81 1HD1 LEU 81 -6.356 2.849 5.311 585 HD12 LEU 81 2HD1 LEU 81 -6.648 3.108 7.030 586 HD13 LEU 81 3HD1 LEU 81 -7.466 1.793 6.186 587 HD21 LEU 81 3HD2 LEU 81 -4.658 0.661 4.735 588 HD22 LEU 81 1HD2 LEU 81 -6.256 0.062 5.185 589 HD23 LEU 81 2HD2 LEU 81 -4.822 -0.547 6.010 590 HA PRO 82 HA PRO 82 -1.962 2.452 4.985 591 HB2 PRO 82 2HB PRO 82 0.351 3.107 3.819 592 HB3 PRO 82 1HB PRO 82 -0.753 4.345 4.432 593 HG2 PRO 82 2HG PRO 82 1.732 3.238 5.685 594 HG3 PRO 82 1HG PRO 82 1.192 4.923 5.573 595 HD2 PRO 82 2HD PRO 82 0.860 3.362 7.802 596 HD3 PRO 82 1HD PRO 82 -0.193 4.727 7.385 597 H THR 83 H THR 83 -0.763 1.203 3.173 598 HA THR 83 HA THR 83 1.010 -0.896 4.128 599 HB THR 83 HB THR 83 -1.724 -1.484 2.968 600 HG1 THR 83 1HG THR 83 -2.050 -1.240 5.079 601 HG21 THR 83 3HG2 THR 83 0.669 -3.146 3.144 602 HG22 THR 83 1HG2 THR 83 -0.777 -3.327 2.153 603 HG23 THR 83 2HG2 THR 83 -0.784 -3.871 3.831 604 H ILE 84 H ILE 84 2.207 -1.878 2.483 605 HA ILE 84 HA ILE 84 1.803 -0.754 -0.212 606 HB ILE 84 HB ILE 84 4.438 -1.605 1.001 607 HG12 ILE 84 2HG1 ILE 84 4.800 0.998 0.605 608 HG13 ILE 84 1HG1 ILE 84 3.053 1.039 0.813 609 HG21 ILE 84 1HG2 ILE 84 4.981 -1.812 -1.166 610 HG22 ILE 84 2HG2 ILE 84 5.021 -0.049 -1.155 611 HG23 ILE 84 3HG2 ILE 84 3.576 -0.894 -1.709 612 HD11 ILE 84 3HD1 ILE 84 4.707 -0.388 2.833 613 HD12 ILE 84 1HD1 ILE 84 3.169 0.453 3.021 614 HD13 ILE 84 2HD1 ILE 84 4.663 1.373 2.844 615 H VAL 85 H VAL 85 0.972 -2.253 -1.502 616 HA VAL 85 HA VAL 85 1.855 -5.049 -1.202 617 HB VAL 85 HB VAL 85 -0.652 -4.058 -2.570 618 HG11 VAL 85 1HG1 VAL 85 0.084 -6.848 -1.697 619 HG12 VAL 85 2HG1 VAL 85 0.265 -6.238 -3.342 620 HG13 VAL 85 3HG1 VAL 85 -1.338 -6.354 -2.616 621 HG21 VAL 85 3HG2 VAL 85 -0.258 -3.930 0.102 622 HG22 VAL 85 1HG2 VAL 85 -0.882 -5.572 -0.054 623 HG23 VAL 85 2HG2 VAL 85 -1.826 -4.208 -0.653 624 H VAL 86 H VAL 86 3.287 -5.685 -2.678 625 HA VAL 86 HA VAL 86 3.200 -4.449 -5.353 626 HB VAL 86 HB VAL 86 5.616 -5.803 -4.157 627 HG11 VAL 86 1HG1 VAL 86 6.835 -4.770 -5.891 628 HG12 VAL 86 2HG1 VAL 86 5.494 -3.703 -6.303 629 HG13 VAL 86 3HG1 VAL 86 5.389 -5.426 -6.658 630 HG21 VAL 86 3HG2 VAL 86 5.057 -3.977 -2.674 631 HG22 VAL 86 1HG2 VAL 86 4.869 -2.881 -4.042 632 HG23 VAL 86 2HG2 VAL 86 6.460 -3.530 -3.645 633 H ASN 87 H ASN 87 3.267 -5.724 -7.166 634 HA ASN 87 HA ASN 87 2.557 -7.504 -8.397 635 HB2 ASN 87 2HB ASN 87 4.073 -9.573 -8.029 636 HB3 ASN 87 1HB ASN 87 4.804 -8.076 -8.584 637 HD21 ASN 87 1HD2 ASN 87 4.722 -10.461 -6.160 638 HD22 ASN 87 2HD2 ASN 87 5.915 -9.773 -5.116 639 H GLY 88 H GLY 88 0.859 -7.145 -6.248 640 HA2 GLY 88 2HA GLY 88 -0.908 -8.204 -5.248 641 HA3 GLY 88 1HA GLY 88 -0.476 -9.626 -6.171 642 H LYS 89 H LYS 89 1.397 -7.946 -3.655 643 HA LYS 89 HA LYS 89 0.781 -9.713 -1.581 644 HB2 LYS 89 2HB LYS 89 2.957 -10.935 -1.455 645 HB3 LYS 89 1HB LYS 89 1.918 -11.430 -2.781 646 HG2 LYS 89 2HG LYS 89 3.291 -10.479 -4.384 647 HG3 LYS 89 1HG LYS 89 4.070 -9.400 -3.225 648 HD2 LYS 89 2HD LYS 89 5.734 -10.887 -3.143 649 HD3 LYS 89 1HD LYS 89 4.628 -11.938 -2.259 650 HE2 LYS 89 2HE LYS 89 3.968 -12.266 -4.957 651 HE3 LYS 89 1HE LYS 89 5.730 -12.241 -4.909 652 HZ1 LYS 89 3HZ LYS 89 5.119 -14.465 -4.607 653 HZ2 LYS 89 1HZ LYS 89 3.890 -14.087 -3.506 654 HZ3 LYS 89 2HZ LYS 89 5.512 -13.925 -3.054 655 H PHE 90 H PHE 90 1.530 -8.996 0.313 656 HA PHE 90 HA PHE 90 2.442 -6.409 0.629 657 HB2 PHE 90 2HB PHE 90 1.390 -8.020 2.354 658 HB3 PHE 90 1HB PHE 90 3.039 -8.553 2.658 659 HD1 PHE 90 1HD PHE 90 4.750 -6.703 3.255 660 HD2 PHE 90 2HD PHE 90 0.530 -6.211 3.499 661 HE1 PHE 90 1HE PHE 90 5.060 -4.843 4.830 662 HE2 PHE 90 2HE PHE 90 0.837 -4.349 5.075 663 HZ PHE 90 HZ PHE 90 3.101 -3.663 5.741 664 H TRP 91 H TRP 91 4.281 -5.574 -0.073 665 HA TRP 91 HA TRP 91 6.741 -7.172 0.164 666 HB2 TRP 91 2HB TRP 91 5.754 -6.143 -2.115 667 HB3 TRP 91 1HB TRP 91 6.721 -4.773 -1.577 668 HD1 TRP 91 HD TRP 91 8.866 -4.843 -2.978 669 HE1 TRP 91 1HE TRP 91 10.617 -6.632 -3.571 670 HE3 TRP 91 3HE TRP 91 6.624 -8.922 -0.853 671 HZ2 TRP 91 2HZ TRP 91 11.001 -9.404 -3.190 672 HZ3 TRP 91 3HZ TRP 91 7.751 -11.103 -1.012 673 HH2 TRP 91 HH TRP 91 9.894 -11.337 -2.157 674 H GLY 92 H GLY 92 5.175 -4.240 1.166 675 HA2 GLY 92 2HA GLY 92 7.481 -3.629 2.837 676 HA3 GLY 92 1HA GLY 92 7.018 -2.392 1.681 677 H THR 93 H THR 93 7.052 -2.365 4.624 678 HA THR 93 HA THR 93 4.211 -1.737 5.100 679 HB THR 93 HB THR 93 4.903 -3.640 6.464 680 HG1 THR 93 1HG THR 93 3.507 -2.512 7.626 681 HG21 THR 93 3HG2 THR 93 6.679 -2.236 8.270 682 HG22 THR 93 1HG2 THR 93 7.376 -2.453 6.664 683 HG23 THR 93 2HG2 THR 93 6.808 -3.851 7.575 684 H GLU 94 H GLU 94 4.068 -0.158 7.102 685 HA GLU 94 HA GLU 94 5.152 2.304 6.291 686 HB2 GLU 94 2HB GLU 94 3.086 1.716 7.805 687 HB3 GLU 94 1HB GLU 94 4.256 1.872 9.108 688 HG2 GLU 94 2HG GLU 94 4.275 4.074 7.174 689 HG3 GLU 94 1HG GLU 94 2.784 3.905 8.097 690 H SER 95 H SER 95 6.395 -0.157 8.422 691 HA SER 95 HA SER 95 8.331 1.575 9.686 692 HB2 SER 95 2HB SER 95 8.316 -1.446 9.748 693 HB3 SER 95 1HB SER 95 9.028 -0.340 10.923 694 HG SER 95 HG SER 95 6.821 0.380 11.325 695 H GLN 96 H GLN 96 8.306 -0.794 7.068 696 HA GLN 96 HA GLN 96 11.058 -1.105 6.723 697 HB2 GLN 96 2HB GLN 96 8.919 -2.178 5.522 698 HB3 GLN 96 1HB GLN 96 9.371 -1.013 4.283 699 HG2 GLN 96 2HG GLN 96 11.570 -1.967 4.119 700 HG3 GLN 96 1HG GLN 96 11.234 -3.060 5.460 701 HE21 GLN 96 1HE2 GLN 96 9.888 -2.141 2.305 702 HE22 GLN 96 2HE2 GLN 96 9.477 -3.749 1.822 703 H LEU 97 H LEU 97 8.923 1.494 5.711 704 HA LEU 97 HA LEU 97 10.658 2.720 3.848 705 HB2 LEU 97 2HB LEU 97 8.626 4.136 5.570 706 HB3 LEU 97 1HB LEU 97 9.244 4.649 4.011 707 HG LEU 97 HG LEU 97 7.500 2.227 4.479 708 HD11 LEU 97 1HD1 LEU 97 5.673 3.449 3.938 709 HD12 LEU 97 2HD1 LEU 97 6.575 4.543 2.890 710 HD13 LEU 97 3HD1 LEU 97 6.637 4.748 4.640 711 HD21 LEU 97 3HD2 LEU 97 8.685 1.674 2.581 712 HD22 LEU 97 1HD2 LEU 97 8.864 3.353 2.072 713 HD23 LEU 97 2HD2 LEU 97 7.310 2.537 1.891 714 H HIS 98 H HIS 98 10.105 3.341 7.314 715 HA HIS 98 HA HIS 98 12.148 5.343 7.467 716 HB2 HIS 98 2HB HIS 98 10.080 5.019 9.000 717 HB3 HIS 98 1HB HIS 98 11.085 3.849 9.848 718 HD1 HIS 98 1HD HIS 98 11.305 5.216 11.982 719 HD2 HIS 98 2HD HIS 98 12.576 7.255 8.590 720 HE1 HIS 98 1HE HIS 98 12.463 7.279 12.832 721 HE2 HIS 98 2HE HIS 98 13.146 8.541 10.761 722 H ARG 99 H ARG 99 12.015 1.870 8.005 723 HA ARG 99 HA ARG 99 14.472 1.619 9.380 724 HB2 ARG 99 2HB ARG 99 12.703 -0.285 7.885 725 HB3 ARG 99 1HB ARG 99 14.290 -0.805 8.424 726 HG2 ARG 99 2HG ARG 99 12.048 0.201 10.163 727 HG3 ARG 99 1HG ARG 99 12.613 -1.464 10.023 728 HD2 ARG 99 2HD ARG 99 13.832 -0.946 11.843 729 HD3 ARG 99 1HD ARG 99 14.920 -0.209 10.668 730 HE ARG 99 HE ARG 99 12.907 1.615 11.529 731 HH11 ARG 99 1HH1 ARG 99 15.954 0.171 12.492 732 HH12 ARG 99 2HH1 ARG 99 16.398 1.496 13.513 733 HH21 ARG 99 1HH2 ARG 99 13.505 3.358 12.876 734 HH22 ARG 99 2HH2 ARG 99 15.009 3.303 13.731 735 H PHE 100 H PHE 100 13.628 1.548 5.949 736 HA PHE 100 HA PHE 100 16.290 0.838 5.121 737 HB2 PHE 100 2HB PHE 100 13.730 1.458 3.748 738 HB3 PHE 100 1HB PHE 100 15.212 1.730 2.837 739 HD1 PHE 100 2HD PHE 100 16.968 -0.363 3.342 740 HD2 PHE 100 1HD PHE 100 12.718 -0.521 3.236 741 HE1 PHE 100 2HE PHE 100 17.076 -2.756 2.789 742 HE2 PHE 100 1HE PHE 100 12.819 -2.916 2.683 743 HZ PHE 100 HZ PHE 100 14.999 -4.036 2.458 744 H GLU 101 H GLU 101 14.361 3.825 5.155 745 HA GLU 101 HA GLU 101 16.189 5.499 3.869 746 HB2 GLU 101 2HB GLU 101 13.701 5.838 4.873 747 HB3 GLU 101 1HB GLU 101 14.642 6.683 6.093 748 HG2 GLU 101 2HG GLU 101 15.460 8.239 4.546 749 HG3 GLU 101 1HG GLU 101 14.978 7.250 3.169 750 H ALA 102 H ALA 102 15.898 4.593 7.269 751 HA ALA 102 HA ALA 102 17.801 6.346 8.348 752 HB1 ALA 102 1HB ALA 102 17.984 4.595 10.175 753 HB2 ALA 102 2HB ALA 102 16.827 3.643 9.244 754 HB3 ALA 102 3HB ALA 102 16.370 5.231 9.859 755 H LYS 103 H LYS 103 18.161 3.097 6.962 756 HA LYS 103 HA LYS 103 20.966 2.936 7.513 757 HB2 LYS 103 2HB LYS 103 19.032 1.310 5.895 758 HB3 LYS 103 1HB LYS 103 20.760 1.018 5.774 759 HG2 LYS 103 2HG LYS 103 20.516 0.970 8.433 760 HG3 LYS 103 1HG LYS 103 18.889 0.450 7.986 761 HD2 LYS 103 2HD LYS 103 21.425 -0.806 6.943 762 HD3 LYS 103 1HD LYS 103 20.501 -1.421 8.314 763 HE2 LYS 103 2HE LYS 103 18.505 -1.409 6.667 764 HE3 LYS 103 1HE LYS 103 19.744 -1.319 5.417 765 HZ1 LYS 103 3HZ LYS 103 19.112 -3.512 7.254 766 HZ2 LYS 103 1HZ LYS 103 20.719 -3.330 6.757 767 HZ3 LYS 103 2HZ LYS 103 19.500 -3.563 5.609 768 H GLY 104 H GLY 104 19.005 4.120 4.870 769 HA2 GLY 104 2HA GLY 104 19.729 5.609 3.212 770 HA3 GLY 104 1HA GLY 104 21.393 5.193 3.593 771 H THR 105 H THR 105 18.994 2.710 3.051 772 HA THR 105 HA THR 105 20.198 2.157 0.417 773 HB THR 105 HB THR 105 20.013 -0.230 0.867 774 HG1 THR 105 1HG THR 105 18.991 0.566 3.393 775 HG21 THR 105 3HG2 THR 105 22.078 0.044 1.635 776 HG22 THR 105 1HG2 THR 105 21.361 -0.086 3.241 777 HG23 THR 105 2HG2 THR 105 21.651 1.501 2.531 778 H LEU 106 H LEU 106 17.609 3.530 1.352 779 HA LEU 106 HA LEU 106 15.454 1.847 0.566 780 HB2 LEU 106 2HB LEU 106 15.637 4.226 1.864 781 HB3 LEU 106 1HB LEU 106 15.102 4.761 0.282 782 HG LEU 106 HG LEU 106 13.662 2.602 1.805 783 HD11 LEU 106 1HD1 LEU 106 13.916 4.918 2.975 784 HD12 LEU 106 2HD1 LEU 106 12.345 4.121 2.907 785 HD13 LEU 106 3HD1 LEU 106 12.720 5.428 1.785 786 HD21 LEU 106 3HD2 LEU 106 12.256 4.432 -0.017 787 HD22 LEU 106 1HD2 LEU 106 12.104 2.687 0.187 788 HD23 LEU 106 2HD2 LEU 106 13.419 3.351 -0.781 789 H GLU 107 H GLU 107 17.333 4.355 -1.100 790 HA GLU 107 HA GLU 107 15.898 4.472 -3.486 791 HB2 GLU 107 2HB GLU 107 17.800 5.975 -2.733 792 HB3 GLU 107 1HB GLU 107 18.900 4.720 -3.287 793 HG2 GLU 107 2HG GLU 107 17.779 4.909 -5.541 794 HG3 GLU 107 1HG GLU 107 16.984 6.354 -4.925 795 H GLU 108 H GLU 108 18.727 2.441 -2.692 796 HA GLU 108 HA GLU 108 18.868 1.073 -5.134 797 HB2 GLU 108 2HB GLU 108 20.403 1.106 -2.917 798 HB3 GLU 108 1HB GLU 108 19.584 -0.433 -2.683 799 HG2 GLU 108 2HG GLU 108 20.394 -0.426 -5.352 800 HG3 GLU 108 1HG GLU 108 21.748 0.246 -4.445 801 H GLU 109 H GLU 109 17.033 0.395 -2.189 802 HA GLU 109 HA GLU 109 16.046 -2.139 -2.937 803 HB2 GLU 109 2HB GLU 109 15.999 -1.152 -0.628 804 HB3 GLU 109 1HB GLU 109 14.685 -0.110 -1.158 805 HG2 GLU 109 2HG GLU 109 14.093 -2.846 -1.795 806 HG3 GLU 109 1HG GLU 109 14.506 -2.690 -0.089 807 H LEU 110 H LEU 110 14.817 1.147 -3.454 808 HA LEU 110 HA LEU 110 12.329 0.407 -4.578 809 HB2 LEU 110 2HB LEU 110 13.981 2.891 -4.547 810 HB3 LEU 110 1HB LEU 110 12.626 2.792 -5.653 811 HG LEU 110 HG LEU 110 12.216 2.195 -2.747 812 HD11 LEU 110 1HD1 LEU 110 11.558 4.634 -2.534 813 HD12 LEU 110 2HD1 LEU 110 12.479 4.909 -4.013 814 HD13 LEU 110 3HD1 LEU 110 13.286 4.284 -2.575 815 HD21 LEU 110 3HD2 LEU 110 10.432 1.705 -4.362 816 HD22 LEU 110 1HD2 LEU 110 10.441 3.393 -4.872 817 HD23 LEU 110 2HD2 LEU 110 9.967 2.971 -3.227 818 H THR 111 H THR 111 15.549 0.704 -5.932 819 HA THR 111 HA THR 111 14.659 0.664 -8.670 820 HB THR 111 HB THR 111 17.445 0.034 -7.693 821 HG1 THR 111 1HG THR 111 16.300 2.591 -8.151 822 HG21 THR 111 3HG2 THR 111 18.119 0.241 -9.795 823 HG22 THR 111 1HG2 THR 111 17.181 1.714 -10.035 824 HG23 THR 111 2HG2 THR 111 16.419 0.139 -10.252 825 H LYS 112 H LYS 112 15.606 -1.706 -6.265 826 HA LYS 112 HA LYS 112 16.155 -3.893 -7.922 827 HB2 LYS 112 2HB LYS 112 16.472 -3.655 -5.382 828 HB3 LYS 112 1HB LYS 112 14.788 -4.143 -5.251 829 HG2 LYS 112 2HG LYS 112 16.639 -5.830 -6.854 830 HG3 LYS 112 1HG LYS 112 16.736 -5.892 -5.093 831 HD2 LYS 112 2HD LYS 112 14.750 -6.951 -4.893 832 HD3 LYS 112 1HD LYS 112 14.017 -6.043 -6.217 833 HE2 LYS 112 2HE LYS 112 15.451 -7.433 -7.776 834 HE3 LYS 112 1HE LYS 112 15.810 -8.452 -6.384 835 HZ1 LYS 112 3HZ LYS 112 14.014 -9.548 -7.180 836 HZ2 LYS 112 1HZ LYS 112 13.330 -8.177 -7.897 837 HZ3 LYS 112 2HZ LYS 112 13.179 -8.425 -6.231 838 H ILE 113 H ILE 113 13.073 -2.778 -6.544 839 HA ILE 113 HA ILE 113 11.511 -4.918 -7.548 840 HB ILE 113 HB ILE 113 9.551 -3.420 -7.156 841 HG12 ILE 113 2HG1 ILE 113 11.574 -1.457 -6.065 842 HG13 ILE 113 1HG1 ILE 113 10.834 -1.292 -7.653 843 HG21 ILE 113 1HG2 ILE 113 10.846 -4.854 -5.406 844 HG22 ILE 113 2HG2 ILE 113 9.586 -3.739 -4.877 845 HG23 ILE 113 3HG2 ILE 113 11.283 -3.284 -4.729 846 HD11 ILE 113 3HD1 ILE 113 9.069 -1.591 -5.284 847 HD12 ILE 113 1HD1 ILE 113 8.801 -0.719 -6.794 848 HD13 ILE 113 2HD1 ILE 113 9.872 -0.047 -5.565 849 H GLY 114 H GLY 114 12.726 -2.019 -9.024 850 HA2 GLY 114 2HA GLY 114 12.838 -1.798 -11.391 851 HA3 GLY 114 1HA GLY 114 11.390 -2.784 -11.524 852 H LEU 115 H LEU 115 11.545 -0.188 -9.189 853 HA LEU 115 HA LEU 115 9.342 1.133 -10.531 854 HB2 LEU 115 2HB LEU 115 9.897 0.744 -7.917 855 HB3 LEU 115 1HB LEU 115 10.559 2.351 -8.124 856 HG LEU 115 HG LEU 115 8.344 3.103 -8.987 857 HD11 LEU 115 1HD1 LEU 115 7.213 1.271 -9.798 858 HD12 LEU 115 2HD1 LEU 115 6.445 1.480 -8.224 859 HD13 LEU 115 3HD1 LEU 115 7.684 0.244 -8.444 860 HD21 LEU 115 3HD2 LEU 115 7.807 1.911 -6.324 861 HD22 LEU 115 1HD2 LEU 115 7.585 3.567 -6.892 862 HD23 LEU 115 2HD2 LEU 115 9.197 2.984 -6.480 863 H LEU 116 H LEU 116 12.665 1.934 -9.539 864 HA LEU 116 HA LEU 116 12.544 4.316 -11.263 865 HB2 LEU 116 2HB LEU 116 14.270 3.634 -8.892 866 HB3 LEU 116 1HB LEU 116 14.655 4.956 -9.979 867 HG LEU 116 HG LEU 116 12.215 5.739 -9.445 868 HD11 LEU 116 1HD1 LEU 116 11.180 4.259 -8.107 869 HD12 LEU 116 2HD1 LEU 116 12.049 5.107 -6.829 870 HD13 LEU 116 3HD1 LEU 116 12.691 3.600 -7.480 871 HD21 LEU 116 3HD2 LEU 116 14.729 6.071 -7.901 872 HD22 LEU 116 1HD2 LEU 116 13.242 6.721 -7.210 873 HD23 LEU 116 2HD2 LEU 116 13.780 7.256 -8.801 874 HA PRO 117 HA PRO 117 15.215 2.510 -14.269 875 HB2 PRO 117 2HB PRO 117 16.588 5.144 -14.318 876 HB3 PRO 117 1HB PRO 117 15.861 4.230 -15.644 877 HG2 PRO 117 2HG PRO 117 14.649 6.380 -14.669 878 HG3 PRO 117 1HG PRO 117 13.711 4.947 -15.131 879 HD2 PRO 117 2HD PRO 117 14.507 5.894 -12.403 880 HD3 PRO 117 1HD PRO 117 12.978 5.170 -12.943 Start of MODEL 2 1 H MET 9 1HT MET 9 -19.528 -13.804 2.057 2 HA MET 9 HA MET 9 -17.792 -12.371 1.860 3 HB2 MET 9 2HB MET 9 -17.594 -14.642 3.419 4 HB3 MET 9 1HB MET 9 -16.024 -14.566 2.628 5 HG2 MET 9 2HG MET 9 -15.969 -13.430 4.763 6 HG3 MET 9 1HG MET 9 -15.708 -12.295 3.442 7 HE1 MET 9 2HE MET 9 -17.498 -9.716 5.390 8 HE2 MET 9 3HE MET 9 -15.982 -10.392 4.799 9 HE3 MET 9 1HE MET 9 -16.632 -10.911 6.353 10 H SER 10 H SER 10 -17.049 -15.371 0.142 11 HA SER 10 HA SER 10 -14.577 -14.694 -0.933 12 HB2 SER 10 2HB SER 10 -16.607 -16.273 -2.498 13 HB3 SER 10 1HB SER 10 -14.856 -16.475 -2.444 14 HG SER 10 HG SER 10 -15.039 -17.280 -0.361 15 H ALA 11 H ALA 11 -17.788 -13.678 -1.906 16 HA ALA 11 HA ALA 11 -17.389 -12.830 -4.498 17 HB1 ALA 11 1HB ALA 11 -18.971 -11.273 -2.461 18 HB2 ALA 11 2HB ALA 11 -19.546 -12.756 -3.224 19 HB3 ALA 11 3HB ALA 11 -19.217 -11.326 -4.205 20 H PHE 12 H PHE 12 -16.365 -11.264 -1.514 21 HA PHE 12 HA PHE 12 -15.351 -8.952 -2.958 22 HB2 PHE 12 2HB PHE 12 -16.088 -9.523 -0.230 23 HB3 PHE 12 1HB PHE 12 -14.452 -8.876 -0.287 24 HD1 PHE 12 2HD PHE 12 -17.711 -8.172 -1.988 25 HD2 PHE 12 1HD PHE 12 -14.305 -6.620 0.042 26 HE1 PHE 12 2HE PHE 12 -18.619 -5.895 -2.210 27 HE2 PHE 12 1HE PHE 12 -15.209 -4.343 -0.177 28 HZ PHE 12 HZ PHE 12 -17.367 -3.978 -1.304 29 H VAL 13 H VAL 13 -14.121 -11.839 -1.336 30 HA VAL 13 HA VAL 13 -11.385 -11.104 -1.367 31 HB VAL 13 HB VAL 13 -12.455 -13.928 -1.435 32 HG11 VAL 13 1HG1 VAL 13 -10.289 -14.014 0.140 33 HG12 VAL 13 2HG1 VAL 13 -9.822 -12.687 -0.923 34 HG13 VAL 13 3HG1 VAL 13 -10.226 -14.264 -1.603 35 HG21 VAL 13 3HG2 VAL 13 -12.504 -11.887 0.704 36 HG22 VAL 13 1HG2 VAL 13 -11.971 -13.502 1.175 37 HG23 VAL 13 2HG2 VAL 13 -13.556 -13.276 0.435 38 H THR 14 H THR 14 -13.306 -13.132 -3.588 39 HA THR 14 HA THR 14 -11.180 -13.672 -5.373 40 HB THR 14 HB THR 14 -14.068 -13.593 -6.214 41 HG1 THR 14 1HG THR 14 -14.496 -15.335 -5.079 42 HG21 THR 14 3HG2 THR 14 -12.034 -14.269 -7.721 43 HG22 THR 14 1HG2 THR 14 -13.549 -15.169 -7.773 44 HG23 THR 14 2HG2 THR 14 -12.183 -15.795 -6.850 45 H LYS 15 H LYS 15 -13.703 -11.161 -5.376 46 HA LYS 15 HA LYS 15 -13.086 -10.042 -7.874 47 HB2 LYS 15 2HB LYS 15 -14.685 -9.298 -5.559 48 HB3 LYS 15 1HB LYS 15 -13.937 -7.901 -6.318 49 HG2 LYS 15 2HG LYS 15 -16.034 -8.131 -7.338 50 HG3 LYS 15 1HG LYS 15 -14.870 -8.754 -8.508 51 HD2 LYS 15 2HD LYS 15 -15.368 -11.057 -7.569 52 HD3 LYS 15 1HD LYS 15 -16.721 -10.312 -6.716 53 HE2 LYS 15 2HE LYS 15 -17.601 -11.211 -8.721 54 HE3 LYS 15 1HE LYS 15 -17.520 -9.465 -8.944 55 HZ1 LYS 15 3HZ LYS 15 -16.461 -9.947 -10.829 56 HZ2 LYS 15 1HZ LYS 15 -16.172 -11.552 -10.382 57 HZ3 LYS 15 2HZ LYS 15 -15.119 -10.331 -9.876 58 H ALA 16 H ALA 16 -11.713 -9.489 -4.678 59 HA ALA 16 HA ALA 16 -10.162 -7.220 -5.282 60 HB1 ALA 16 1HB ALA 16 -9.247 -7.456 -3.201 61 HB2 ALA 16 2HB ALA 16 -9.134 -9.211 -3.327 62 HB3 ALA 16 3HB ALA 16 -10.690 -8.451 -3.000 63 H GLU 17 H GLU 17 -9.454 -10.688 -5.505 64 HA GLU 17 HA GLU 17 -6.748 -10.538 -6.167 65 HB2 GLU 17 2HB GLU 17 -8.878 -12.541 -6.381 66 HB3 GLU 17 1HB GLU 17 -7.635 -12.701 -7.614 67 HG2 GLU 17 2HG GLU 17 -6.780 -12.350 -4.792 68 HG3 GLU 17 1HG GLU 17 -7.439 -13.908 -5.287 69 H GLU 18 H GLU 18 -9.616 -10.311 -8.230 70 HA GLU 18 HA GLU 18 -8.252 -10.303 -10.701 71 HB2 GLU 18 2HB GLU 18 -10.967 -9.448 -9.786 72 HB3 GLU 18 1HB GLU 18 -10.421 -8.980 -11.390 73 HG2 GLU 18 2HG GLU 18 -10.266 -11.837 -10.523 74 HG3 GLU 18 1HG GLU 18 -11.789 -11.152 -11.085 75 H MET 19 H MET 19 -9.073 -7.730 -8.424 76 HA MET 19 HA MET 19 -8.407 -5.574 -10.142 77 HB2 MET 19 2HB MET 19 -8.621 -5.786 -7.142 78 HB3 MET 19 1HB MET 19 -8.212 -4.284 -7.957 79 HG2 MET 19 2HG MET 19 -10.699 -5.817 -8.626 80 HG3 MET 19 1HG MET 19 -10.641 -4.654 -7.303 81 HE1 MET 19 3HE MET 19 -10.705 -1.518 -8.265 82 HE2 MET 19 1HE MET 19 -11.530 -2.827 -7.419 83 HE3 MET 19 2HE MET 19 -12.264 -2.098 -8.847 84 H ILE 20 H ILE 20 -6.560 -7.298 -7.629 85 HA ILE 20 HA ILE 20 -4.216 -5.724 -7.940 86 HB ILE 20 HB ILE 20 -3.112 -7.496 -6.621 87 HG12 ILE 20 2HG1 ILE 20 -5.823 -8.813 -6.469 88 HG13 ILE 20 1HG1 ILE 20 -4.545 -9.373 -7.541 89 HG21 ILE 20 1HG2 ILE 20 -3.944 -6.707 -4.674 90 HG22 ILE 20 2HG2 ILE 20 -5.617 -7.000 -5.143 91 HG23 ILE 20 3HG2 ILE 20 -4.761 -5.589 -5.766 92 HD11 ILE 20 3HD1 ILE 20 -3.783 -10.625 -5.891 93 HD12 ILE 20 1HD1 ILE 20 -4.961 -9.933 -4.775 94 HD13 ILE 20 2HD1 ILE 20 -3.393 -9.157 -4.995 95 H LYS 21 H LYS 21 -5.574 -8.224 -9.805 96 HA LYS 21 HA LYS 21 -3.310 -9.580 -10.728 97 HB2 LYS 21 2HB LYS 21 -6.048 -9.630 -11.225 98 HB3 LYS 21 1HB LYS 21 -5.335 -9.213 -12.777 99 HG2 LYS 21 2HG LYS 21 -4.267 -11.224 -12.987 100 HG3 LYS 21 1HG LYS 21 -4.169 -11.480 -11.244 101 HD2 LYS 21 2HD LYS 21 -6.889 -11.397 -12.390 102 HD3 LYS 21 1HD LYS 21 -5.893 -12.779 -12.856 103 HE2 LYS 21 2HE LYS 21 -5.400 -13.024 -10.354 104 HE3 LYS 21 1HE LYS 21 -6.764 -11.933 -10.109 105 HZ1 LYS 21 3HZ LYS 21 -7.917 -13.661 -11.705 106 HZ2 LYS 21 1HZ LYS 21 -7.833 -13.920 -10.034 107 HZ3 LYS 21 2HZ LYS 21 -6.740 -14.695 -11.066 108 H SER 22 H SER 22 -5.111 -6.960 -12.367 109 HA SER 22 HA SER 22 -2.886 -6.481 -14.161 110 HB2 SER 22 2HB SER 22 -5.473 -6.319 -14.659 111 HB3 SER 22 1HB SER 22 -5.278 -4.684 -14.033 112 HG SER 22 HG SER 22 -3.856 -5.851 -16.200 113 H HIS 23 H HIS 23 -3.784 -5.441 -11.078 114 HA HIS 23 HA HIS 23 -2.070 -3.069 -11.350 115 HB2 HIS 23 2HB HIS 23 -4.595 -3.402 -9.739 116 HB3 HIS 23 1HB HIS 23 -3.426 -2.130 -9.401 117 HD1 HIS 23 1HD HIS 23 -5.961 -3.206 -11.936 118 HD2 HIS 23 2HD HIS 23 -3.396 -0.018 -11.219 119 HE1 HIS 23 1HE HIS 23 -6.672 -1.397 -13.535 120 HE2 HIS 23 2HE HIS 23 -5.074 0.505 -13.116 121 HA PRO 24 HA PRO 24 -0.252 -6.009 -8.243 122 HB2 PRO 24 2HB PRO 24 2.277 -5.923 -9.216 123 HB3 PRO 24 1HB PRO 24 1.050 -7.037 -9.831 124 HG2 PRO 24 2HG PRO 24 1.988 -4.434 -10.970 125 HG3 PRO 24 1HG PRO 24 1.618 -5.954 -11.802 126 HD2 PRO 24 2HD PRO 24 -0.098 -3.847 -11.720 127 HD3 PRO 24 1HD PRO 24 -0.634 -5.535 -11.834 128 H TYR 25 H TYR 25 0.711 -2.842 -9.438 129 HA TYR 25 HA TYR 25 2.277 -2.299 -7.033 130 HB2 TYR 25 2HB TYR 25 2.031 -1.100 -9.730 131 HB3 TYR 25 1HB TYR 25 2.310 0.037 -8.417 132 HD1 TYR 25 1HD TYR 25 3.667 -3.400 -8.426 133 HD2 TYR 25 2HD TYR 25 4.486 0.718 -9.131 134 HE1 TYR 25 1HE TYR 25 6.074 -3.896 -8.506 135 HE2 TYR 25 2HE TYR 25 6.893 0.231 -9.213 136 HH TYR 25 HH TYR 25 8.145 -2.839 -9.543 137 H PHE 26 H PHE 26 0.192 -2.543 -5.770 138 HA PHE 26 HA PHE 26 -1.399 -0.067 -5.835 139 HB2 PHE 26 2HB PHE 26 -2.144 -2.812 -5.582 140 HB3 PHE 26 1HB PHE 26 -2.562 -1.989 -4.082 141 HD1 PHE 26 2HD PHE 26 -3.865 0.256 -4.343 142 HD2 PHE 26 1HD PHE 26 -3.597 -2.726 -7.368 143 HE1 PHE 26 2HE PHE 26 -5.895 1.153 -5.406 144 HE2 PHE 26 1HE PHE 26 -5.623 -1.831 -8.435 145 HZ PHE 26 HZ PHE 26 -6.777 0.109 -7.454 146 H GLN 27 H GLN 27 -1.388 1.302 -4.146 147 HA GLN 27 HA GLN 27 -0.086 0.431 -1.649 148 HB2 GLN 27 2HB GLN 27 0.819 2.417 -3.467 149 HB3 GLN 27 1HB GLN 27 0.251 3.249 -2.028 150 HG2 GLN 27 2HG GLN 27 1.690 1.365 -0.839 151 HG3 GLN 27 1HG GLN 27 2.538 1.405 -2.384 152 HE21 GLN 27 1HE2 GLN 27 4.340 2.127 -1.037 153 HE22 GLN 27 2HE2 GLN 27 4.477 3.805 -0.655 154 H LEU 28 H LEU 28 -1.691 0.326 -0.193 155 HA LEU 28 HA LEU 28 -3.919 2.196 -0.313 156 HB2 LEU 28 2HB LEU 28 -3.349 -0.289 1.271 157 HB3 LEU 28 1HB LEU 28 -4.670 0.774 1.715 158 HG LEU 28 HG LEU 28 -5.536 -1.041 0.399 159 HD11 LEU 28 1HD1 LEU 28 -6.194 1.477 -0.011 160 HD12 LEU 28 2HD1 LEU 28 -6.869 0.180 -0.995 161 HD13 LEU 28 3HD1 LEU 28 -5.532 1.149 -1.611 162 HD21 LEU 28 3HD2 LEU 28 -3.690 -0.206 -1.831 163 HD22 LEU 28 1HD2 LEU 28 -4.794 -1.580 -1.807 164 HD23 LEU 28 2HD2 LEU 28 -3.381 -1.565 -0.750 165 H SER 29 H SER 29 -4.311 3.828 1.107 166 HA SER 29 HA SER 29 -2.523 4.110 3.428 167 HB2 SER 29 2HB SER 29 -3.089 6.137 1.279 168 HB3 SER 29 1HB SER 29 -2.616 6.646 2.899 169 HG SER 29 HG SER 29 -0.744 6.440 1.768 170 H ALA 30 H ALA 30 -3.340 5.987 4.881 171 HA ALA 30 HA ALA 30 -6.183 5.506 5.384 172 HB1 ALA 30 1HB ALA 30 -5.725 5.697 7.569 173 HB2 ALA 30 2HB ALA 30 -4.711 7.120 7.333 174 HB3 ALA 30 3HB ALA 30 -4.043 5.507 7.076 175 H SER 31 H SER 31 -7.236 7.530 6.557 176 HA SER 31 HA SER 31 -7.399 9.577 4.549 177 HB2 SER 31 2HB SER 31 -8.748 9.497 7.261 178 HB3 SER 31 1HB SER 31 -9.217 10.483 5.876 179 HG SER 31 HG SER 31 -10.468 8.537 6.134 180 H TRP 32 H TRP 32 -5.278 10.464 4.616 181 HA TRP 32 HA TRP 32 -3.687 11.975 5.197 182 HB2 TRP 32 2HB TRP 32 -6.179 13.157 5.747 183 HB3 TRP 32 1HB TRP 32 -5.158 13.544 7.125 184 HD1 TRP 32 HD TRP 32 -4.570 16.016 6.683 185 HE1 TRP 32 1HE TRP 32 -3.433 17.305 4.769 186 HE3 TRP 32 3HE TRP 32 -4.299 12.264 3.203 187 HZ2 TRP 32 2HZ TRP 32 -2.540 16.808 2.143 188 HZ3 TRP 32 3HZ TRP 32 -3.284 12.762 1.017 189 HH2 TRP 32 HH TRP 32 -2.425 14.988 0.500 190 H CYS 33 H CYS 33 -3.467 9.637 6.590 191 HA CYS 33 HA CYS 33 -3.318 9.982 9.411 192 HB2 CYS 33 2HB CYS 33 -2.898 7.862 7.521 193 HB3 CYS 33 1HB CYS 33 -1.537 7.920 8.633 194 HG CYS 33 HG CYS 33 -4.117 7.941 10.172 195 HA PRO 34 HA PRO 34 0.580 11.985 9.958 196 HB2 PRO 34 2HB PRO 34 1.542 10.740 12.185 197 HB3 PRO 34 1HB PRO 34 0.242 11.935 12.222 198 HG2 PRO 34 2HG PRO 34 0.077 8.951 12.299 199 HG3 PRO 34 1HG PRO 34 -0.844 10.150 13.226 200 HD2 PRO 34 2HD PRO 34 -1.864 8.887 11.060 201 HD3 PRO 34 1HD PRO 34 -2.311 10.548 11.498 202 H ASP 35 H ASP 35 0.617 8.439 9.991 203 HA ASP 35 HA ASP 35 3.456 8.378 9.365 204 HB2 ASP 35 2HB ASP 35 1.791 6.619 10.695 205 HB3 ASP 35 1HB ASP 35 2.021 5.840 9.133 206 H CYS 36 H CYS 36 0.371 7.933 7.762 207 HA CYS 36 HA CYS 36 1.388 6.809 5.354 208 HB2 CYS 36 2HB CYS 36 -1.165 8.393 5.694 209 HB3 CYS 36 1HB CYS 36 -0.805 7.213 4.438 210 HG CYS 36 HG CYS 36 -0.894 5.363 6.355 211 H VAL 37 H VAL 37 0.634 10.110 6.395 212 HA VAL 37 HA VAL 37 0.978 11.441 3.985 213 HB VAL 37 HB VAL 37 0.092 12.513 6.015 214 HG11 VAL 37 1HG1 VAL 37 1.247 12.859 7.920 215 HG12 VAL 37 2HG1 VAL 37 2.769 13.146 7.075 216 HG13 VAL 37 3HG1 VAL 37 2.202 11.498 7.336 217 HG21 VAL 37 3HG2 VAL 37 1.037 14.688 5.636 218 HG22 VAL 37 1HG2 VAL 37 0.951 13.833 4.095 219 HG23 VAL 37 2HG2 VAL 37 2.494 13.982 4.938 220 H TYR 38 H TYR 38 3.414 10.219 6.222 221 HA TYR 38 HA TYR 38 5.647 11.633 5.288 222 HB2 TYR 38 2HB TYR 38 5.589 10.194 7.341 223 HB3 TYR 38 1HB TYR 38 5.636 8.779 6.294 224 HD1 TYR 38 1HD TYR 38 7.556 11.739 7.411 225 HD2 TYR 38 2HD TYR 38 7.687 8.028 5.330 226 HE1 TYR 38 1HE TYR 38 10.014 11.838 7.399 227 HE2 TYR 38 2HE TYR 38 10.143 8.119 5.313 228 HH TYR 38 HH TYR 38 11.963 9.150 6.426 229 H ALA 39 H ALA 39 4.394 8.446 4.282 230 HA ALA 39 HA ALA 39 6.304 7.911 2.304 231 HB1 ALA 39 1HB ALA 39 5.083 6.068 1.824 232 HB2 ALA 39 2HB ALA 39 3.554 6.945 1.810 233 HB3 ALA 39 3HB ALA 39 4.289 6.486 3.344 234 H ASN 40 H ASN 40 3.311 9.779 2.167 235 HA ASN 40 HA ASN 40 3.345 10.084 -0.679 236 HB2 ASN 40 2HB ASN 40 1.670 11.014 1.558 237 HB3 ASN 40 1HB ASN 40 1.793 12.148 0.215 238 HD21 ASN 40 1HD2 ASN 40 -0.113 11.960 -0.769 239 HD22 ASN 40 2HD2 ASN 40 -0.774 10.486 -1.379 240 H SER 41 H SER 41 4.621 11.850 2.056 241 HA SER 41 HA SER 41 5.167 14.281 0.767 242 HB2 SER 41 2HB SER 41 5.460 13.290 3.336 243 HB3 SER 41 1HB SER 41 7.122 13.566 2.815 244 HG SER 41 HG SER 41 6.716 15.682 2.577 245 H ILE 42 H ILE 42 7.144 11.362 1.210 246 HA ILE 42 HA ILE 42 9.464 12.399 -0.044 247 HB ILE 42 HB ILE 42 8.698 9.485 0.146 248 HG12 ILE 42 2HG1 ILE 42 8.540 10.560 2.360 249 HG13 ILE 42 1HG1 ILE 42 9.896 9.444 2.282 250 HG21 ILE 42 1HG2 ILE 42 10.820 8.972 -0.432 251 HG22 ILE 42 2HG2 ILE 42 11.499 10.380 0.382 252 HG23 ILE 42 3HG2 ILE 42 10.760 10.552 -1.208 253 HD11 ILE 42 3HD1 ILE 42 11.198 11.654 1.635 254 HD12 ILE 42 1HD1 ILE 42 10.905 11.193 3.313 255 HD13 ILE 42 2HD1 ILE 42 9.872 12.392 2.534 256 H TRP 43 H TRP 43 6.857 10.279 -1.262 257 HA TRP 43 HA TRP 43 7.894 10.055 -3.880 258 HB2 TRP 43 2HB TRP 43 5.299 9.432 -2.565 259 HB3 TRP 43 1HB TRP 43 5.289 9.587 -4.318 260 HD1 TRP 43 HD TRP 43 8.561 8.244 -3.363 261 HE1 TRP 43 1HE TRP 43 8.650 5.695 -3.668 262 HE3 TRP 43 3HE TRP 43 3.555 7.301 -3.916 263 HZ2 TRP 43 2HZ TRP 43 6.853 3.564 -4.085 264 HZ3 TRP 43 3HZ TRP 43 2.832 4.974 -4.261 265 HH2 TRP 43 HH TRP 43 4.447 3.146 -4.345 266 H ASN 44 H ASN 44 5.882 12.475 -2.342 267 HA ASN 44 HA ASN 44 4.954 13.726 -4.720 268 HB2 ASN 44 2HB ASN 44 3.864 14.020 -2.516 269 HB3 ASN 44 1HB ASN 44 5.272 14.916 -1.955 270 HD21 ASN 44 1HD2 ASN 44 4.661 16.961 -1.759 271 HD22 ASN 44 2HD2 ASN 44 3.823 17.881 -2.956 272 H LYS 45 H LYS 45 7.827 14.137 -2.723 273 HA LYS 45 HA LYS 45 8.682 16.511 -4.121 274 HB2 LYS 45 2HB LYS 45 9.190 15.661 -1.645 275 HB3 LYS 45 1HB LYS 45 10.571 14.924 -2.447 276 HG2 LYS 45 2HG LYS 45 11.524 16.954 -2.973 277 HG3 LYS 45 1HG LYS 45 9.986 17.814 -2.905 278 HD2 LYS 45 2HD LYS 45 11.230 18.491 -1.001 279 HD3 LYS 45 1HD LYS 45 9.983 17.385 -0.420 280 HE2 LYS 45 2HE LYS 45 11.595 15.577 -0.318 281 HE3 LYS 45 1HE LYS 45 12.843 16.620 -1.000 282 HZ1 LYS 45 3HZ LYS 45 11.540 17.588 1.415 283 HZ2 LYS 45 1HZ LYS 45 13.166 17.664 0.955 284 HZ3 LYS 45 2HZ LYS 45 12.538 16.234 1.604 285 H LEU 46 H LEU 46 9.301 13.054 -4.274 286 HA LEU 46 HA LEU 46 11.544 13.329 -6.051 287 HB2 LEU 46 2HB LEU 46 10.007 11.034 -4.920 288 HB3 LEU 46 1HB LEU 46 11.031 10.765 -6.317 289 HG LEU 46 HG LEU 46 12.064 11.991 -3.765 290 HD11 LEU 46 1HD1 LEU 46 12.136 9.090 -4.587 291 HD12 LEU 46 2HD1 LEU 46 11.143 9.764 -3.294 292 HD13 LEU 46 3HD1 LEU 46 12.903 9.794 -3.163 293 HD21 LEU 46 3HD2 LEU 46 13.230 11.100 -6.346 294 HD22 LEU 46 1HD2 LEU 46 14.165 10.792 -4.882 295 HD23 LEU 46 2HD2 LEU 46 13.690 12.440 -5.295 296 H ASN 47 H ASN 47 8.222 13.597 -6.519 297 HA ASN 47 HA ASN 47 6.841 13.520 -8.318 298 HB2 ASN 47 2HB ASN 47 8.489 15.242 -9.030 299 HB3 ASN 47 1HB ASN 47 9.413 13.983 -9.836 300 HD21 ASN 47 1HD2 ASN 47 5.988 14.943 -9.675 301 HD22 ASN 47 2HD2 ASN 47 5.738 14.944 -11.384 302 H VAL 48 H VAL 48 7.514 11.007 -7.420 303 HA VAL 48 HA VAL 48 7.592 9.469 -9.932 304 HB VAL 48 HB VAL 48 8.709 7.616 -8.666 305 HG11 VAL 48 1HG1 VAL 48 10.953 9.068 -8.454 306 HG12 VAL 48 2HG1 VAL 48 9.967 10.181 -9.401 307 HG13 VAL 48 3HG1 VAL 48 10.273 8.551 -9.997 308 HG21 VAL 48 3HG2 VAL 48 8.219 8.202 -6.405 309 HG22 VAL 48 1HG2 VAL 48 9.025 9.761 -6.575 310 HG23 VAL 48 2HG2 VAL 48 9.969 8.273 -6.610 311 H GLN 49 H GLN 49 5.310 10.451 -8.409 312 HA GLN 49 HA GLN 49 4.178 7.973 -7.313 313 HB2 GLN 49 2HB GLN 49 4.164 10.232 -6.043 314 HB3 GLN 49 1HB GLN 49 2.881 10.684 -7.157 315 HG2 GLN 49 2HG GLN 49 1.379 9.240 -6.237 316 HG3 GLN 49 1HG GLN 49 2.620 8.109 -5.701 317 HE21 GLN 49 1HE2 GLN 49 2.260 11.591 -5.130 318 HE22 GLN 49 2HE2 GLN 49 2.203 11.476 -3.409 319 H ASP 50 H ASP 50 4.527 8.532 -10.194 320 HA ASP 50 HA ASP 50 1.707 8.564 -11.048 321 HB2 ASP 50 2HB ASP 50 4.210 9.286 -12.589 322 HB3 ASP 50 1HB ASP 50 2.610 9.155 -13.310 323 H LYS 51 H LYS 51 4.840 6.966 -11.510 324 HA LYS 51 HA LYS 51 3.904 4.995 -13.318 325 HB2 LYS 51 2HB LYS 51 6.288 4.935 -11.457 326 HB3 LYS 51 1HB LYS 51 6.002 3.795 -12.764 327 HG2 LYS 51 2HG LYS 51 6.579 5.290 -14.386 328 HG3 LYS 51 1HG LYS 51 6.061 6.688 -13.440 329 HD2 LYS 51 2HD LYS 51 8.016 6.613 -12.095 330 HD3 LYS 51 1HD LYS 51 8.466 5.025 -12.717 331 HE2 LYS 51 2HE LYS 51 8.190 7.252 -14.667 332 HE3 LYS 51 1HE LYS 51 9.590 7.267 -13.596 333 HZ1 LYS 51 3HZ LYS 51 10.189 5.073 -14.377 334 HZ2 LYS 51 1HZ LYS 51 10.047 6.129 -15.692 335 HZ3 LYS 51 2HZ LYS 51 8.820 5.009 -15.370 336 H VAL 52 H VAL 52 3.721 5.297 -9.861 337 HA VAL 52 HA VAL 52 2.933 2.489 -9.555 338 HB VAL 52 HB VAL 52 3.325 4.534 -7.363 339 HG11 VAL 52 1HG1 VAL 52 3.002 1.552 -7.415 340 HG12 VAL 52 2HG1 VAL 52 2.102 2.751 -6.485 341 HG13 VAL 52 3HG1 VAL 52 3.770 2.375 -6.058 342 HG21 VAL 52 3HG2 VAL 52 5.512 3.018 -7.124 343 HG22 VAL 52 1HG2 VAL 52 5.478 4.500 -8.080 344 HG23 VAL 52 2HG2 VAL 52 5.309 2.935 -8.875 345 H PHE 53 H PHE 53 0.967 2.019 -8.265 346 HA PHE 53 HA PHE 53 -1.111 4.043 -8.702 347 HB2 PHE 53 2HB PHE 53 -1.167 1.689 -9.861 348 HB3 PHE 53 1HB PHE 53 -1.720 1.131 -8.287 349 HD1 PHE 53 1HD PHE 53 -3.695 2.645 -7.275 350 HD2 PHE 53 2HD PHE 53 -2.763 2.233 -11.409 351 HE1 PHE 53 1HE PHE 53 -5.995 3.297 -7.859 352 HE2 PHE 53 2HE PHE 53 -5.061 2.885 -11.996 353 HZ PHE 53 HZ PHE 53 -6.680 3.417 -10.220 354 H VAL 54 H VAL 54 -1.544 5.052 -6.918 355 HA VAL 54 HA VAL 54 -1.542 3.607 -4.351 356 HB VAL 54 HB VAL 54 -1.401 6.601 -4.704 357 HG11 VAL 54 1HG1 VAL 54 -2.050 5.263 -2.484 358 HG12 VAL 54 2HG1 VAL 54 -1.129 6.765 -2.461 359 HG13 VAL 54 3HG1 VAL 54 -0.294 5.216 -2.335 360 HG21 VAL 54 3HG2 VAL 54 1.066 6.182 -4.039 361 HG22 VAL 54 1HG2 VAL 54 0.582 5.957 -5.720 362 HG23 VAL 54 2HG2 VAL 54 0.788 4.559 -4.668 363 H PHE 55 H PHE 55 -3.331 3.616 -3.055 364 HA PHE 55 HA PHE 55 -5.698 5.084 -4.018 365 HB2 PHE 55 2HB PHE 55 -5.371 2.301 -3.929 366 HB3 PHE 55 1HB PHE 55 -6.387 2.688 -2.546 367 HD1 PHE 55 1HD PHE 55 -6.197 4.172 -5.965 368 HD2 PHE 55 2HD PHE 55 -8.554 2.111 -3.080 369 HE1 PHE 55 1HE PHE 55 -8.153 4.332 -7.450 370 HE2 PHE 55 2HE PHE 55 -10.511 2.268 -4.561 371 HZ PHE 55 HZ PHE 55 -10.313 3.380 -6.750 372 H ASP 56 H ASP 56 -6.936 6.113 -2.526 373 HA ASP 56 HA ASP 56 -5.891 6.193 0.217 374 HB2 ASP 56 2HB ASP 56 -6.591 8.224 -1.556 375 HB3 ASP 56 1HB ASP 56 -7.936 8.167 -0.422 376 H ILE 57 H ILE 57 -7.045 5.444 1.893 377 HA ILE 57 HA ILE 57 -9.670 4.292 1.374 378 HB ILE 57 HB ILE 57 -8.036 4.189 3.916 379 HG12 ILE 57 2HG1 ILE 57 -8.285 2.064 1.779 380 HG13 ILE 57 1HG1 ILE 57 -6.936 3.189 1.875 381 HG21 ILE 57 1HG2 ILE 57 -9.964 2.055 3.302 382 HG22 ILE 57 2HG2 ILE 57 -10.677 3.633 3.636 383 HG23 ILE 57 3HG2 ILE 57 -9.619 2.874 4.824 384 HD11 ILE 57 3HD1 ILE 57 -6.390 1.028 2.848 385 HD12 ILE 57 1HD1 ILE 57 -7.713 1.208 4.000 386 HD13 ILE 57 2HD1 ILE 57 -6.338 2.311 4.057 387 H GLY 58 H GLY 58 -10.447 6.576 1.054 388 HA2 GLY 58 2HA GLY 58 -11.318 7.693 3.646 389 HA3 GLY 58 1HA GLY 58 -10.839 8.716 2.304 390 H SER 59 H SER 59 -12.132 7.319 0.205 391 HA SER 59 HA SER 59 -14.674 8.463 0.237 392 HB2 SER 59 2HB SER 59 -15.114 7.199 -1.798 393 HB3 SER 59 1HB SER 59 -13.458 7.802 -1.825 394 HG SER 59 HG SER 59 -12.738 5.740 -1.262 395 H LEU 60 H LEU 60 -13.615 5.268 1.221 396 HA LEU 60 HA LEU 60 -16.281 4.234 1.516 397 HB2 LEU 60 2HB LEU 60 -15.145 2.280 2.526 398 HB3 LEU 60 1HB LEU 60 -14.559 2.690 0.927 399 HG LEU 60 HG LEU 60 -12.980 3.939 3.041 400 HD11 LEU 60 1HD1 LEU 60 -11.902 1.506 3.343 401 HD12 LEU 60 2HD1 LEU 60 -13.600 1.058 3.194 402 HD13 LEU 60 3HD1 LEU 60 -13.093 2.182 4.454 403 HD21 LEU 60 3HD2 LEU 60 -12.555 2.377 0.534 404 HD22 LEU 60 1HD2 LEU 60 -11.221 2.551 1.673 405 HD23 LEU 60 2HD2 LEU 60 -11.973 3.983 0.973 406 HA PRO 61 HA PRO 61 -16.833 6.013 5.587 407 HB2 PRO 61 2HB PRO 61 -19.292 5.007 6.058 408 HB3 PRO 61 1HB PRO 61 -19.023 6.326 4.913 409 HG2 PRO 61 2HG PRO 61 -19.374 3.398 4.378 410 HG3 PRO 61 1HG PRO 61 -20.099 4.781 3.537 411 HD2 PRO 61 2HD PRO 61 -17.935 3.442 2.585 412 HD3 PRO 61 1HD PRO 61 -18.207 5.170 2.287 413 H ARG 62 H ARG 62 -17.852 5.014 7.744 414 HA ARG 62 HA ARG 62 -16.068 3.053 8.634 415 HB2 ARG 62 2HB ARG 62 -18.550 4.276 9.756 416 HB3 ARG 62 1HB ARG 62 -17.895 2.844 10.538 417 HG2 ARG 62 2HG ARG 62 -16.442 4.103 11.628 418 HG3 ARG 62 1HG ARG 62 -15.738 4.620 10.095 419 HD2 ARG 62 2HD ARG 62 -16.442 6.679 10.555 420 HD3 ARG 62 1HD ARG 62 -18.093 6.100 10.344 421 HE ARG 62 HE ARG 62 -18.384 6.206 12.610 422 HH11 ARG 62 1HH1 ARG 62 -14.948 6.387 11.928 423 HH12 ARG 62 2HH1 ARG 62 -14.522 6.777 13.559 424 HH21 ARG 62 1HH2 ARG 62 -17.807 6.717 14.760 425 HH22 ARG 62 2HH2 ARG 62 -16.141 6.963 15.164 426 H ASN 63 H ASN 63 -19.357 2.758 7.374 427 HA ASN 63 HA ASN 63 -19.779 0.056 8.074 428 HB2 ASN 63 2HB ASN 63 -21.057 2.014 6.272 429 HB3 ASN 63 1HB ASN 63 -21.262 0.330 5.801 430 HD21 ASN 63 1HD2 ASN 63 -23.505 0.524 6.237 431 HD22 ASN 63 2HD2 ASN 63 -24.099 0.486 7.858 432 H GLU 64 H GLU 64 -18.590 1.521 5.050 433 HA GLU 64 HA GLU 64 -18.148 -0.946 3.725 434 HB2 GLU 64 2HB GLU 64 -18.411 1.194 2.541 435 HB3 GLU 64 1HB GLU 64 -16.891 1.758 3.219 436 HG2 GLU 64 2HG GLU 64 -15.626 0.380 1.877 437 HG3 GLU 64 1HG GLU 64 -16.944 -0.760 1.623 438 H GLN 65 H GLN 65 -16.121 1.128 5.729 439 HA GLN 65 HA GLN 65 -13.633 -0.035 5.272 440 HB2 GLN 65 2HB GLN 65 -14.118 2.064 6.576 441 HB3 GLN 65 1HB GLN 65 -14.601 1.041 7.921 442 HG2 GLN 65 2HG GLN 65 -12.446 0.303 8.309 443 HG3 GLN 65 1HG GLN 65 -11.903 0.712 6.682 444 HE21 GLN 65 1HE2 GLN 65 -12.760 1.997 9.825 445 HE22 GLN 65 2HE2 GLN 65 -11.929 3.501 9.650 446 H GLU 66 H GLU 66 -16.317 -1.139 7.255 447 HA GLU 66 HA GLU 66 -14.997 -2.995 8.869 448 HB2 GLU 66 2HB GLU 66 -17.649 -2.254 8.415 449 HB3 GLU 66 1HB GLU 66 -17.595 -3.964 8.004 450 HG2 GLU 66 2HG GLU 66 -16.228 -3.258 10.499 451 HG3 GLU 66 1HG GLU 66 -17.967 -2.977 10.499 452 H LYS 67 H LYS 67 -16.573 -3.534 5.703 453 HA LYS 67 HA LYS 67 -15.751 -6.243 5.504 454 HB2 LYS 67 2HB LYS 67 -17.296 -4.416 3.944 455 HB3 LYS 67 1HB LYS 67 -16.089 -5.147 2.896 456 HG2 LYS 67 2HG LYS 67 -17.893 -6.580 2.699 457 HG3 LYS 67 1HG LYS 67 -16.881 -7.383 3.903 458 HD2 LYS 67 2HD LYS 67 -18.262 -6.553 5.692 459 HD3 LYS 67 1HD LYS 67 -19.201 -5.571 4.567 460 HE2 LYS 67 2HE LYS 67 -20.467 -7.309 3.917 461 HE3 LYS 67 1HE LYS 67 -19.097 -8.418 3.886 462 HZ1 LYS 67 3HZ LYS 67 -19.461 -9.073 6.004 463 HZ2 LYS 67 1HZ LYS 67 -21.048 -8.606 5.654 464 HZ3 LYS 67 2HZ LYS 67 -20.029 -7.566 6.515 465 H TRP 68 H TRP 68 -14.236 -3.199 4.678 466 HA TRP 68 HA TRP 68 -12.275 -4.097 2.900 467 HB2 TRP 68 2HB TRP 68 -12.810 -1.697 3.403 468 HB3 TRP 68 1HB TRP 68 -11.950 -1.876 4.928 469 HD1 TRP 68 HD TRP 68 -9.518 -1.094 4.834 470 HE1 TRP 68 1HE TRP 68 -7.730 -0.823 3.003 471 HE3 TRP 68 3HE TRP 68 -12.142 -2.931 0.846 472 HZ2 TRP 68 2HZ TRP 68 -7.465 -1.317 0.237 473 HZ3 TRP 68 3HZ TRP 68 -11.047 -2.995 -1.357 474 HH2 TRP 68 HH TRP 68 -8.757 -2.203 -1.653 475 H ARG 69 H ARG 69 -12.017 -3.620 6.443 476 HA ARG 69 HA ARG 69 -9.415 -4.601 6.712 477 HB2 ARG 69 2HB ARG 69 -9.993 -5.012 9.100 478 HB3 ARG 69 1HB ARG 69 -10.406 -3.399 8.539 479 HG2 ARG 69 2HG ARG 69 -12.688 -3.834 8.581 480 HG3 ARG 69 1HG ARG 69 -12.454 -5.582 8.560 481 HD2 ARG 69 2HD ARG 69 -12.322 -5.691 10.784 482 HD3 ARG 69 1HD ARG 69 -11.205 -4.328 10.864 483 HE ARG 69 HE ARG 69 -13.547 -3.110 10.391 484 HH11 ARG 69 1HH1 ARG 69 -12.626 -5.538 12.747 485 HH12 ARG 69 2HH1 ARG 69 -13.797 -5.025 13.910 486 HH21 ARG 69 1HH2 ARG 69 -15.076 -2.436 11.933 487 HH22 ARG 69 2HH2 ARG 69 -15.189 -3.264 13.450 488 H ILE 70 H ILE 70 -12.499 -6.311 6.635 489 HA ILE 70 HA ILE 70 -11.451 -8.837 7.417 490 HB ILE 70 HB ILE 70 -13.941 -8.342 5.776 491 HG12 ILE 70 2HG1 ILE 70 -13.859 -8.686 8.768 492 HG13 ILE 70 1HG1 ILE 70 -13.708 -7.095 8.033 493 HG21 ILE 70 1HG2 ILE 70 -14.681 -10.484 6.597 494 HG22 ILE 70 2HG2 ILE 70 -13.245 -10.637 7.608 495 HG23 ILE 70 3HG2 ILE 70 -13.095 -10.677 5.852 496 HD11 ILE 70 3HD1 ILE 70 -15.991 -8.790 7.203 497 HD12 ILE 70 1HD1 ILE 70 -15.880 -7.039 7.379 498 HD13 ILE 70 2HD1 ILE 70 -16.028 -8.061 8.809 499 H ALA 71 H ALA 71 -12.196 -7.396 4.246 500 HA ALA 71 HA ALA 71 -11.468 -9.622 2.685 501 HB1 ALA 71 1HB ALA 71 -11.902 -8.320 0.888 502 HB2 ALA 71 2HB ALA 71 -11.010 -6.942 1.528 503 HB3 ALA 71 3HB ALA 71 -12.639 -7.281 2.110 504 H PHE 72 H PHE 72 -9.589 -6.723 3.591 505 HA PHE 72 HA PHE 72 -7.223 -7.366 2.266 506 HB2 PHE 72 2HB PHE 72 -8.033 -5.279 3.811 507 HB3 PHE 72 1HB PHE 72 -6.894 -6.065 4.898 508 HD1 PHE 72 2HD PHE 72 -7.160 -4.892 1.363 509 HD2 PHE 72 1HD PHE 72 -4.658 -5.520 4.752 510 HE1 PHE 72 2HE PHE 72 -5.291 -3.814 0.180 511 HE2 PHE 72 1HE PHE 72 -2.788 -4.442 3.573 512 HZ PHE 72 HZ PHE 72 -3.102 -3.589 1.285 513 H GLN 73 H GLN 73 -8.249 -8.214 5.571 514 HA GLN 73 HA GLN 73 -5.881 -9.566 6.297 515 HB2 GLN 73 2HB GLN 73 -8.114 -8.825 7.639 516 HB3 GLN 73 1HB GLN 73 -8.413 -10.548 7.461 517 HG2 GLN 73 2HG GLN 73 -5.743 -9.690 8.429 518 HG3 GLN 73 1HG GLN 73 -7.112 -9.554 9.529 519 HE21 GLN 73 1HE2 GLN 73 -8.541 -11.622 9.479 520 HE22 GLN 73 2HE2 GLN 73 -7.672 -13.109 9.614 521 H LYS 74 H LYS 74 -8.625 -10.525 4.382 522 HA LYS 74 HA LYS 74 -8.077 -13.347 4.553 523 HB2 LYS 74 2HB LYS 74 -10.269 -11.823 3.843 524 HB3 LYS 74 1HB LYS 74 -9.711 -12.453 2.302 525 HG2 LYS 74 2HG LYS 74 -10.352 -14.555 2.780 526 HG3 LYS 74 1HG LYS 74 -9.859 -14.434 4.468 527 HD2 LYS 74 2HD LYS 74 -12.156 -12.753 3.783 528 HD3 LYS 74 1HD LYS 74 -12.448 -14.479 3.565 529 HE2 LYS 74 2HE LYS 74 -11.147 -13.528 6.078 530 HE3 LYS 74 1HE LYS 74 -12.884 -13.314 5.881 531 HZ1 LYS 74 3HZ LYS 74 -11.336 -15.778 6.189 532 HZ2 LYS 74 1HZ LYS 74 -12.716 -15.844 5.211 533 HZ3 LYS 74 2HZ LYS 74 -12.847 -15.365 6.826 534 H VAL 75 H VAL 75 -7.257 -10.692 2.407 535 HA VAL 75 HA VAL 75 -6.219 -12.439 0.350 536 HB VAL 75 HB VAL 75 -5.866 -9.445 0.565 537 HG11 VAL 75 1HG1 VAL 75 -5.477 -11.452 -1.631 538 HG12 VAL 75 2HG1 VAL 75 -4.350 -10.238 -1.026 539 HG13 VAL 75 3HG1 VAL 75 -5.749 -9.746 -1.981 540 HG21 VAL 75 3HG2 VAL 75 -8.075 -9.291 0.262 541 HG22 VAL 75 1HG2 VAL 75 -8.232 -11.022 -0.037 542 HG23 VAL 75 2HG2 VAL 75 -7.799 -9.935 -1.355 543 H VAL 76 H VAL 76 -4.861 -10.210 2.788 544 HA VAL 76 HA VAL 76 -2.264 -11.517 2.335 545 HB VAL 76 HB VAL 76 -1.251 -9.369 3.282 546 HG11 VAL 76 1HG1 VAL 76 -0.818 -9.847 1.042 547 HG12 VAL 76 2HG1 VAL 76 -1.499 -8.221 1.003 548 HG13 VAL 76 3HG1 VAL 76 -2.498 -9.606 0.565 549 HG21 VAL 76 3HG2 VAL 76 -2.547 -7.321 2.916 550 HG22 VAL 76 1HG2 VAL 76 -3.302 -8.358 4.124 551 HG23 VAL 76 2HG2 VAL 76 -3.957 -8.290 2.488 552 H GLY 77 H GLY 77 -4.373 -10.046 4.780 553 HA2 GLY 77 2HA GLY 77 -4.710 -11.016 6.923 554 HA3 GLY 77 1HA GLY 77 -3.158 -11.822 6.773 555 H SER 78 H SER 78 -3.832 -8.388 6.217 556 HA SER 78 HA SER 78 -2.124 -7.765 8.534 557 HB2 SER 78 2HB SER 78 -2.323 -5.909 6.184 558 HB3 SER 78 1HB SER 78 -1.019 -6.089 7.357 559 HG SER 78 HG SER 78 -1.182 -7.173 4.970 560 H ARG 79 H ARG 79 -3.431 -7.049 10.096 561 HA ARG 79 HA ARG 79 -5.757 -5.415 9.414 562 HB2 ARG 79 2HB ARG 79 -4.887 -6.632 12.048 563 HB3 ARG 79 1HB ARG 79 -6.347 -5.679 11.825 564 HG2 ARG 79 2HG ARG 79 -7.307 -7.326 10.407 565 HG3 ARG 79 1HG ARG 79 -5.786 -8.213 10.307 566 HD2 ARG 79 2HD ARG 79 -6.039 -9.157 12.361 567 HD3 ARG 79 1HD ARG 79 -6.913 -7.769 13.011 568 HE ARG 79 HE ARG 79 -8.657 -8.833 11.229 569 HH11 ARG 79 1HH1 ARG 79 -6.876 -10.178 13.933 570 HH12 ARG 79 2HH1 ARG 79 -8.076 -11.374 14.284 571 HH21 ARG 79 1HH2 ARG 79 -10.235 -10.412 11.707 572 HH22 ARG 79 2HH2 ARG 79 -9.979 -11.508 13.024 573 H ASN 80 H ASN 80 -3.362 -4.140 8.902 574 HA ASN 80 HA ASN 80 -3.519 -1.897 10.759 575 HB2 ASN 80 2HB ASN 80 -1.652 -3.522 11.470 576 HB3 ASN 80 1HB ASN 80 -0.809 -2.993 10.018 577 HD21 ASN 80 1HD2 ASN 80 -2.508 -1.621 12.823 578 HD22 ASN 80 2HD2 ASN 80 -1.387 -0.330 13.078 579 H LEU 81 H LEU 81 -2.521 0.065 9.916 580 HA LEU 81 HA LEU 81 -1.944 0.044 7.041 581 HB2 LEU 81 2HB LEU 81 -4.003 1.774 8.407 582 HB3 LEU 81 1HB LEU 81 -3.369 2.114 6.807 583 HG LEU 81 HG LEU 81 -4.614 -0.550 7.380 584 HD11 LEU 81 1HD1 LEU 81 -6.140 1.333 8.127 585 HD12 LEU 81 2HD1 LEU 81 -6.783 0.220 6.919 586 HD13 LEU 81 3HD1 LEU 81 -6.204 1.813 6.430 587 HD21 LEU 81 3HD2 LEU 81 -5.158 -0.405 4.983 588 HD22 LEU 81 1HD2 LEU 81 -3.425 -0.289 5.291 589 HD23 LEU 81 2HD2 LEU 81 -4.352 1.162 4.910 590 HA PRO 82 HA PRO 82 -1.780 1.870 5.551 591 HB2 PRO 82 2HB PRO 82 0.362 2.631 4.113 592 HB3 PRO 82 1HB PRO 82 -0.722 3.802 4.871 593 HG2 PRO 82 2HG PRO 82 1.949 2.821 5.795 594 HG3 PRO 82 1HG PRO 82 1.301 4.470 5.800 595 HD2 PRO 82 2HD PRO 82 1.348 2.851 8.007 596 HD3 PRO 82 1HD PRO 82 0.159 4.145 7.760 597 H THR 83 H THR 83 -1.128 0.529 3.680 598 HA THR 83 HA THR 83 0.875 -1.519 4.311 599 HB THR 83 HB THR 83 -0.873 -3.159 3.243 600 HG1 THR 83 1HG THR 83 -2.478 -1.703 2.755 601 HG21 THR 83 3HG2 THR 83 -2.043 -3.332 5.568 602 HG22 THR 83 1HG2 THR 83 -0.794 -2.187 6.054 603 HG23 THR 83 2HG2 THR 83 -0.342 -3.755 5.385 604 H ILE 84 H ILE 84 2.112 -2.102 2.620 605 HA ILE 84 HA ILE 84 1.366 -1.072 -0.039 606 HB ILE 84 HB ILE 84 4.148 -1.761 0.910 607 HG12 ILE 84 2HG1 ILE 84 3.082 1.040 0.601 608 HG13 ILE 84 1HG1 ILE 84 2.948 0.177 2.129 609 HG21 ILE 84 1HG2 ILE 84 3.013 -0.564 -1.579 610 HG22 ILE 84 2HG2 ILE 84 4.243 -1.814 -1.388 611 HG23 ILE 84 3HG2 ILE 84 4.642 -0.129 -1.058 612 HD11 ILE 84 3HD1 ILE 84 5.377 -0.064 2.201 613 HD12 ILE 84 1HD1 ILE 84 4.886 1.628 2.115 614 HD13 ILE 84 2HD1 ILE 84 5.504 0.814 0.678 615 H VAL 85 H VAL 85 0.650 -2.603 -1.375 616 HA VAL 85 HA VAL 85 1.759 -5.322 -1.130 617 HB VAL 85 HB VAL 85 -0.302 -6.017 -2.451 618 HG11 VAL 85 1HG1 VAL 85 0.094 -6.266 0.043 619 HG12 VAL 85 2HG1 VAL 85 -1.581 -6.325 -0.502 620 HG13 VAL 85 3HG1 VAL 85 -0.949 -4.859 0.245 621 HG21 VAL 85 3HG2 VAL 85 -0.731 -3.419 -2.890 622 HG22 VAL 85 1HG2 VAL 85 -1.704 -3.614 -1.435 623 HG23 VAL 85 2HG2 VAL 85 -2.034 -4.605 -2.854 624 H VAL 86 H VAL 86 3.182 -5.862 -2.629 625 HA VAL 86 HA VAL 86 2.955 -4.645 -5.305 626 HB VAL 86 HB VAL 86 4.992 -3.974 -4.079 627 HG11 VAL 86 1HG1 VAL 86 5.078 -6.477 -3.087 628 HG12 VAL 86 2HG1 VAL 86 6.465 -5.390 -3.127 629 HG13 VAL 86 3HG1 VAL 86 6.267 -6.612 -4.383 630 HG21 VAL 86 3HG2 VAL 86 4.936 -4.126 -6.547 631 HG22 VAL 86 1HG2 VAL 86 5.609 -5.752 -6.433 632 HG23 VAL 86 2HG2 VAL 86 6.547 -4.368 -5.871 633 H ASN 87 H ASN 87 2.614 -5.958 -6.980 634 HA ASN 87 HA ASN 87 2.257 -7.823 -8.219 635 HB2 ASN 87 2HB ASN 87 4.690 -8.572 -6.646 636 HB3 ASN 87 1HB ASN 87 3.892 -9.804 -7.618 637 HD21 ASN 87 1HD2 ASN 87 4.790 -10.051 -9.530 638 HD22 ASN 87 2HD2 ASN 87 5.498 -8.803 -10.491 639 H GLY 88 H GLY 88 0.549 -7.459 -6.046 640 HA2 GLY 88 2HA GLY 88 -1.103 -8.567 -4.903 641 HA3 GLY 88 1HA GLY 88 -0.696 -9.968 -5.875 642 H LYS 89 H LYS 89 1.130 -8.180 -3.407 643 HA LYS 89 HA LYS 89 0.848 -10.122 -1.397 644 HB2 LYS 89 2HB LYS 89 3.252 -10.912 -1.405 645 HB3 LYS 89 1HB LYS 89 2.223 -11.581 -2.663 646 HG2 LYS 89 2HG LYS 89 3.168 -10.039 -4.284 647 HG3 LYS 89 1HG LYS 89 4.170 -9.310 -3.027 648 HD2 LYS 89 2HD LYS 89 5.632 -11.045 -3.003 649 HD3 LYS 89 1HD LYS 89 4.385 -12.242 -3.355 650 HE2 LYS 89 2HE LYS 89 5.269 -12.305 -5.410 651 HE3 LYS 89 1HE LYS 89 4.444 -10.767 -5.660 652 HZ1 LYS 89 3HZ LYS 89 6.531 -10.142 -6.215 653 HZ2 LYS 89 1HZ LYS 89 7.280 -11.307 -5.243 654 HZ3 LYS 89 2HZ LYS 89 6.670 -9.891 -4.549 655 H PHE 90 H PHE 90 1.401 -9.278 0.507 656 HA PHE 90 HA PHE 90 2.219 -6.565 0.665 657 HB2 PHE 90 2HB PHE 90 0.697 -7.620 2.308 658 HB3 PHE 90 1HB PHE 90 2.027 -8.615 2.884 659 HD1 PHE 90 2HD PHE 90 0.751 -5.162 2.658 660 HD2 PHE 90 1HD PHE 90 3.622 -7.769 4.410 661 HE1 PHE 90 2HE PHE 90 1.368 -3.402 4.262 662 HE2 PHE 90 1HE PHE 90 4.242 -6.012 6.017 663 HZ PHE 90 HZ PHE 90 3.114 -3.825 5.943 664 H TRP 91 H TRP 91 4.244 -5.993 0.139 665 HA TRP 91 HA TRP 91 6.455 -7.493 1.387 666 HB2 TRP 91 2HB TRP 91 6.035 -6.704 -1.419 667 HB3 TRP 91 1HB TRP 91 7.640 -6.350 -0.791 668 HD1 TRP 91 HD TRP 91 5.399 -9.486 -0.242 669 HE1 TRP 91 1HE TRP 91 6.777 -11.561 -0.885 670 HE3 TRP 91 3HE TRP 91 9.684 -7.171 -1.816 671 HZ2 TRP 91 2HZ TRP 91 9.337 -12.143 -1.923 672 HZ3 TRP 91 3HZ TRP 91 11.548 -8.562 -2.620 673 HH2 TRP 91 HH TRP 91 11.375 -10.997 -2.671 674 H GLY 92 H GLY 92 4.867 -4.601 1.521 675 HA2 GLY 92 2HA GLY 92 7.261 -3.291 2.588 676 HA3 GLY 92 1HA GLY 92 6.334 -2.437 1.371 677 H THR 93 H THR 93 6.938 -2.120 4.365 678 HA THR 93 HA THR 93 4.156 -1.585 5.192 679 HB THR 93 HB THR 93 5.150 -3.440 6.484 680 HG1 THR 93 1HG THR 93 3.897 -2.600 7.930 681 HG21 THR 93 3HG2 THR 93 7.526 -2.357 6.365 682 HG22 THR 93 1HG2 THR 93 7.041 -3.325 7.757 683 HG23 THR 93 2HG2 THR 93 7.005 -1.564 7.851 684 H GLU 94 H GLU 94 4.279 0.005 7.231 685 HA GLU 94 HA GLU 94 5.147 2.490 6.214 686 HB2 GLU 94 2HB GLU 94 4.595 3.350 8.525 687 HB3 GLU 94 1HB GLU 94 3.290 2.545 7.674 688 HG2 GLU 94 2HG GLU 94 3.009 1.172 9.382 689 HG3 GLU 94 1HG GLU 94 4.665 0.593 9.215 690 H SER 95 H SER 95 6.528 0.347 8.688 691 HA SER 95 HA SER 95 8.613 2.107 9.462 692 HB2 SER 95 2HB SER 95 8.031 -0.790 9.872 693 HB3 SER 95 1HB SER 95 9.675 -0.225 10.166 694 HG SER 95 HG SER 95 8.205 -0.145 12.010 695 H GLN 96 H GLN 96 8.272 -0.166 6.834 696 HA GLN 96 HA GLN 96 10.942 -0.602 6.168 697 HB2 GLN 96 2HB GLN 96 9.070 -1.808 5.139 698 HB3 GLN 96 1HB GLN 96 8.563 -0.335 4.324 699 HG2 GLN 96 2HG GLN 96 11.307 -0.849 3.723 700 HG3 GLN 96 1HG GLN 96 10.356 -2.300 3.417 701 HE21 GLN 96 1HE2 GLN 96 7.989 -1.299 2.549 702 HE22 GLN 96 2HE2 GLN 96 8.214 -0.427 1.077 703 H LEU 97 H LEU 97 8.851 2.152 5.500 704 HA LEU 97 HA LEU 97 10.597 3.411 3.631 705 HB2 LEU 97 2HB LEU 97 8.555 4.830 5.328 706 HB3 LEU 97 1HB LEU 97 9.137 5.274 3.735 707 HG LEU 97 HG LEU 97 7.578 2.745 4.194 708 HD11 LEU 97 1HD1 LEU 97 5.727 4.338 3.130 709 HD12 LEU 97 2HD1 LEU 97 6.616 5.539 4.064 710 HD13 LEU 97 3HD1 LEU 97 5.921 4.133 4.869 711 HD21 LEU 97 3HD2 LEU 97 8.579 4.279 1.867 712 HD22 LEU 97 1HD2 LEU 97 6.986 3.536 1.713 713 HD23 LEU 97 2HD2 LEU 97 8.391 2.538 2.086 714 H HIS 98 H HIS 98 10.164 3.656 7.134 715 HA HIS 98 HA HIS 98 12.038 5.827 7.390 716 HB2 HIS 98 2HB HIS 98 10.447 4.157 9.293 717 HB3 HIS 98 1HB HIS 98 11.812 5.076 9.908 718 HD1 HIS 98 1HD HIS 98 8.456 5.435 10.038 719 HD2 HIS 98 2HD HIS 98 11.375 7.910 8.413 720 HE1 HIS 98 1HE HIS 98 7.435 7.731 9.978 721 HE2 HIS 98 2HE HIS 98 9.210 9.210 8.974 722 H ARG 99 H ARG 99 12.086 2.353 8.209 723 HA ARG 99 HA ARG 99 14.651 2.257 9.289 724 HB2 ARG 99 2HB ARG 99 12.806 0.261 8.095 725 HB3 ARG 99 1HB ARG 99 14.488 -0.208 8.284 726 HG2 ARG 99 2HG ARG 99 14.290 0.471 10.703 727 HG3 ARG 99 1HG ARG 99 12.552 0.611 10.429 728 HD2 ARG 99 2HD ARG 99 13.934 -1.904 9.623 729 HD3 ARG 99 1HD ARG 99 13.624 -1.619 11.334 730 HE ARG 99 HE ARG 99 11.322 -1.232 9.653 731 HH11 ARG 99 1HH1 ARG 99 13.187 -3.587 11.458 732 HH12 ARG 99 2HH1 ARG 99 11.850 -4.663 11.672 733 HH21 ARG 99 1HH2 ARG 99 9.565 -2.662 9.938 734 HH22 ARG 99 2HH2 ARG 99 9.796 -4.139 10.809 735 H PHE 100 H PHE 100 13.648 1.608 5.940 736 HA PHE 100 HA PHE 100 16.216 1.040 4.950 737 HB2 PHE 100 2HB PHE 100 13.645 1.888 3.660 738 HB3 PHE 100 1HB PHE 100 15.121 1.811 2.705 739 HD1 PHE 100 2HD PHE 100 13.347 -0.324 5.218 740 HD2 PHE 100 1HD PHE 100 15.449 -0.118 1.521 741 HE1 PHE 100 2HE PHE 100 13.020 -2.740 4.902 742 HE2 PHE 100 1HE PHE 100 15.124 -2.535 1.200 743 HZ PHE 100 HZ PHE 100 13.909 -3.849 2.889 744 H GLU 101 H GLU 101 14.453 4.100 5.230 745 HA GLU 101 HA GLU 101 16.238 5.696 3.751 746 HB2 GLU 101 2HB GLU 101 13.851 6.187 4.826 747 HB3 GLU 101 1HB GLU 101 14.842 6.873 6.104 748 HG2 GLU 101 2HG GLU 101 15.746 8.500 4.691 749 HG3 GLU 101 1HG GLU 101 15.241 7.644 3.236 750 H ALA 102 H ALA 102 16.068 4.952 7.205 751 HA ALA 102 HA ALA 102 18.207 6.552 8.059 752 HB1 ALA 102 1HB ALA 102 16.909 5.796 9.806 753 HB2 ALA 102 2HB ALA 102 18.311 4.734 9.936 754 HB3 ALA 102 3HB ALA 102 16.831 4.148 9.177 755 H LYS 103 H LYS 103 18.128 3.205 6.883 756 HA LYS 103 HA LYS 103 20.918 2.751 7.322 757 HB2 LYS 103 2HB LYS 103 18.763 1.266 5.840 758 HB3 LYS 103 1HB LYS 103 20.439 0.748 5.793 759 HG2 LYS 103 2HG LYS 103 19.252 1.232 8.457 760 HG3 LYS 103 1HG LYS 103 18.704 -0.187 7.564 761 HD2 LYS 103 2HD LYS 103 20.495 -1.148 8.553 762 HD3 LYS 103 1HD LYS 103 21.358 -0.415 7.203 763 HE2 LYS 103 2HE LYS 103 22.361 1.139 8.506 764 HE3 LYS 103 1HE LYS 103 20.965 1.303 9.571 765 HZ1 LYS 103 3HZ LYS 103 22.374 0.254 10.978 766 HZ2 LYS 103 1HZ LYS 103 23.237 -0.521 9.746 767 HZ3 LYS 103 2HZ LYS 103 21.737 -1.127 10.240 768 H GLY 104 H GLY 104 18.978 3.974 4.681 769 HA2 GLY 104 2HA GLY 104 19.828 5.295 2.924 770 HA3 GLY 104 1HA GLY 104 21.427 4.628 3.226 771 H THR 105 H THR 105 18.615 2.571 2.957 772 HA THR 105 HA THR 105 19.606 1.623 0.346 773 HB THR 105 HB THR 105 18.792 -0.609 0.960 774 HG1 THR 105 1HG THR 105 17.611 -0.928 2.667 775 HG21 THR 105 3HG2 THR 105 20.640 0.634 2.974 776 HG22 THR 105 1HG2 THR 105 21.067 -0.280 1.527 777 HG23 THR 105 2HG2 THR 105 20.303 -1.095 2.893 778 H LEU 106 H LEU 106 17.380 3.612 1.216 779 HA LEU 106 HA LEU 106 14.919 2.415 0.431 780 HB2 LEU 106 2HB LEU 106 15.517 4.688 1.717 781 HB3 LEU 106 1HB LEU 106 15.300 5.340 0.103 782 HG LEU 106 HG LEU 106 13.107 3.592 0.709 783 HD11 LEU 106 1HD1 LEU 106 12.121 4.919 2.553 784 HD12 LEU 106 2HD1 LEU 106 13.679 5.719 2.761 785 HD13 LEU 106 3HD1 LEU 106 13.536 3.982 3.034 786 HD21 LEU 106 3HD2 LEU 106 12.578 5.155 -0.852 787 HD22 LEU 106 1HD2 LEU 106 13.570 6.405 -0.102 788 HD23 LEU 106 2HD2 LEU 106 11.993 6.003 0.579 789 H GLU 107 H GLU 107 17.200 4.586 -1.257 790 HA GLU 107 HA GLU 107 15.854 4.794 -3.676 791 HB2 GLU 107 2HB GLU 107 18.716 5.019 -2.864 792 HB3 GLU 107 1HB GLU 107 18.338 4.955 -4.578 793 HG2 GLU 107 2HG GLU 107 18.279 7.200 -4.276 794 HG3 GLU 107 1HG GLU 107 16.598 6.822 -3.905 795 H GLU 108 H GLU 108 18.117 2.292 -2.574 796 HA GLU 108 HA GLU 108 18.237 0.885 -5.025 797 HB2 GLU 108 2HB GLU 108 19.830 0.638 -3.069 798 HB3 GLU 108 1HB GLU 108 18.591 -0.337 -2.288 799 HG2 GLU 108 2HG GLU 108 18.665 -1.703 -4.508 800 HG3 GLU 108 1HG GLU 108 20.242 -0.946 -4.698 801 H GLU 109 H GLU 109 16.170 0.518 -2.151 802 HA GLU 109 HA GLU 109 14.822 -1.805 -2.875 803 HB2 GLU 109 2HB GLU 109 14.616 0.022 -0.810 804 HB3 GLU 109 1HB GLU 109 13.079 0.203 -1.646 805 HG2 GLU 109 2HG GLU 109 14.203 -2.395 -0.624 806 HG3 GLU 109 1HG GLU 109 12.969 -1.424 0.175 807 H LEU 110 H LEU 110 14.036 1.572 -3.674 808 HA LEU 110 HA LEU 110 11.693 1.005 -5.137 809 HB2 LEU 110 2HB LEU 110 13.545 3.333 -4.924 810 HB3 LEU 110 1HB LEU 110 12.388 3.305 -6.241 811 HG LEU 110 HG LEU 110 10.608 2.909 -4.418 812 HD11 LEU 110 1HD1 LEU 110 12.419 2.455 -2.679 813 HD12 LEU 110 2HD1 LEU 110 11.090 3.512 -2.208 814 HD13 LEU 110 3HD1 LEU 110 12.654 4.202 -2.643 815 HD21 LEU 110 3HD2 LEU 110 10.923 5.493 -3.781 816 HD22 LEU 110 1HD2 LEU 110 10.315 4.950 -5.344 817 HD23 LEU 110 2HD2 LEU 110 12.012 5.398 -5.165 818 H THR 111 H THR 111 15.088 1.293 -6.126 819 HA THR 111 HA THR 111 14.559 1.054 -8.917 820 HB THR 111 HB THR 111 17.124 0.495 -7.412 821 HG1 THR 111 1HG THR 111 17.392 2.573 -7.341 822 HG21 THR 111 3HG2 THR 111 17.779 1.550 -9.864 823 HG22 THR 111 1HG2 THR 111 16.479 0.418 -10.238 824 HG23 THR 111 2HG2 THR 111 17.917 -0.141 -9.386 825 H LYS 112 H LYS 112 15.245 -1.247 -6.335 826 HA LYS 112 HA LYS 112 15.788 -3.512 -7.891 827 HB2 LYS 112 2HB LYS 112 15.830 -3.040 -5.256 828 HB3 LYS 112 1HB LYS 112 14.286 -3.872 -5.346 829 HG2 LYS 112 2HG LYS 112 15.409 -5.777 -5.229 830 HG3 LYS 112 1HG LYS 112 16.020 -5.444 -6.850 831 HD2 LYS 112 2HD LYS 112 17.688 -3.925 -5.335 832 HD3 LYS 112 1HD LYS 112 17.369 -5.274 -4.243 833 HE2 LYS 112 2HE LYS 112 17.894 -6.767 -6.267 834 HE3 LYS 112 1HE LYS 112 18.599 -5.316 -6.980 835 HZ1 LYS 112 3HZ LYS 112 20.305 -6.558 -5.885 836 HZ2 LYS 112 1HZ LYS 112 19.419 -6.628 -4.444 837 HZ3 LYS 112 2HZ LYS 112 20.032 -5.146 -4.989 838 H ILE 113 H ILE 113 12.696 -2.457 -6.453 839 HA ILE 113 HA ILE 113 11.130 -4.533 -7.518 840 HB ILE 113 HB ILE 113 9.179 -3.005 -7.137 841 HG12 ILE 113 2HG1 ILE 113 11.014 -1.098 -5.748 842 HG13 ILE 113 1HG1 ILE 113 10.814 -0.944 -7.490 843 HG21 ILE 113 1HG2 ILE 113 9.418 -4.259 -5.284 844 HG22 ILE 113 2HG2 ILE 113 9.924 -2.731 -4.562 845 HG23 ILE 113 3HG2 ILE 113 11.135 -3.885 -5.119 846 HD11 ILE 113 3HD1 ILE 113 8.480 -1.019 -5.612 847 HD12 ILE 113 1HD1 ILE 113 8.525 -0.479 -7.289 848 HD13 ILE 113 2HD1 ILE 113 9.318 0.474 -6.036 849 H GLY 114 H GLY 114 12.329 -1.619 -8.991 850 HA2 GLY 114 2HA GLY 114 12.423 -1.581 -11.419 851 HA3 GLY 114 1HA GLY 114 10.826 -2.312 -11.436 852 H LEU 115 H LEU 115 11.387 0.202 -9.125 853 HA LEU 115 HA LEU 115 9.412 1.871 -10.384 854 HB2 LEU 115 2HB LEU 115 10.137 1.478 -7.809 855 HB3 LEU 115 1HB LEU 115 11.030 2.946 -8.152 856 HG LEU 115 HG LEU 115 8.085 2.744 -8.716 857 HD11 LEU 115 1HD1 LEU 115 7.957 4.026 -6.458 858 HD12 LEU 115 2HD1 LEU 115 9.479 3.203 -6.115 859 HD13 LEU 115 3HD1 LEU 115 8.028 2.264 -6.462 860 HD21 LEU 115 3HD2 LEU 115 8.158 4.973 -9.075 861 HD22 LEU 115 1HD2 LEU 115 9.846 4.630 -9.452 862 HD23 LEU 115 2HD2 LEU 115 9.406 5.243 -7.860 863 H LEU 116 H LEU 116 12.874 2.184 -9.621 864 HA LEU 116 HA LEU 116 13.039 4.428 -11.521 865 HB2 LEU 116 2HB LEU 116 14.925 3.681 -9.286 866 HB3 LEU 116 1HB LEU 116 15.106 5.058 -10.356 867 HG LEU 116 HG LEU 116 12.557 4.930 -8.863 868 HD11 LEU 116 1HD1 LEU 116 15.125 5.632 -7.449 869 HD12 LEU 116 2HD1 LEU 116 14.212 4.146 -7.190 870 HD13 LEU 116 3HD1 LEU 116 13.490 5.705 -6.790 871 HD21 LEU 116 3HD2 LEU 116 14.483 6.966 -9.857 872 HD22 LEU 116 1HD2 LEU 116 13.439 7.387 -8.499 873 HD23 LEU 116 2HD2 LEU 116 12.730 6.884 -10.032 874 HA PRO 117 HA PRO 117 15.109 1.645 -14.330 875 HB2 PRO 117 2HB PRO 117 16.257 4.189 -15.362 876 HB3 PRO 117 1HB PRO 117 15.402 2.909 -16.228 877 HG2 PRO 117 2HG PRO 117 14.196 5.219 -15.698 878 HG3 PRO 117 1HG PRO 117 13.313 3.687 -15.583 879 HD2 PRO 117 2HD PRO 117 14.428 5.401 -13.400 880 HD3 PRO 117 1HD PRO 117 12.903 4.493 -13.453 Start of MODEL 3 1 H MET 9 1HT MET 9 -18.885 -15.306 1.429 2 HA MET 9 HA MET 9 -17.151 -13.856 1.312 3 HB2 MET 9 2HB MET 9 -16.859 -16.358 2.468 4 HB3 MET 9 1HB MET 9 -15.347 -16.131 1.600 5 HG2 MET 9 2HG MET 9 -16.220 -13.814 3.171 6 HG3 MET 9 1HG MET 9 -15.836 -15.254 4.112 7 HE1 MET 9 2HE MET 9 -13.705 -16.435 4.192 8 HE2 MET 9 3HE MET 9 -13.410 -15.049 5.242 9 HE3 MET 9 1HE MET 9 -12.169 -15.574 4.105 10 H SER 10 H SER 10 -16.665 -16.517 -0.956 11 HA SER 10 HA SER 10 -14.251 -15.799 -2.099 12 HB2 SER 10 2HB SER 10 -15.147 -16.897 -4.198 13 HB3 SER 10 1HB SER 10 -15.244 -17.879 -2.736 14 HG SER 10 HG SER 10 -17.189 -17.461 -4.305 15 H ALA 11 H ALA 11 -17.451 -14.444 -2.650 16 HA ALA 11 HA ALA 11 -17.064 -13.008 -4.973 17 HB1 ALA 11 1HB ALA 11 -18.746 -12.507 -2.553 18 HB2 ALA 11 2HB ALA 11 -19.238 -12.964 -4.183 19 HB3 ALA 11 3HB ALA 11 -18.686 -11.322 -3.856 20 H PHE 12 H PHE 12 -16.010 -12.217 -1.706 21 HA PHE 12 HA PHE 12 -15.032 -9.612 -2.483 22 HB2 PHE 12 2HB PHE 12 -15.136 -11.176 0.068 23 HB3 PHE 12 1HB PHE 12 -14.009 -9.830 -0.068 24 HD1 PHE 12 1HD PHE 12 -17.609 -10.678 -0.506 25 HD2 PHE 12 2HD PHE 12 -14.721 -7.676 0.376 26 HE1 PHE 12 1HE PHE 12 -19.418 -9.104 0.047 27 HE2 PHE 12 2HE PHE 12 -16.526 -6.101 0.931 28 HZ PHE 12 HZ PHE 12 -18.877 -6.813 0.767 29 H VAL 13 H VAL 13 -13.699 -12.799 -1.720 30 HA VAL 13 HA VAL 13 -10.985 -12.139 -1.696 31 HB VAL 13 HB VAL 13 -12.139 -14.741 -2.714 32 HG11 VAL 13 1HG1 VAL 13 -9.536 -14.308 -1.276 33 HG12 VAL 13 2HG1 VAL 13 -9.671 -14.238 -3.033 34 HG13 VAL 13 3HG1 VAL 13 -10.070 -15.728 -2.178 35 HG21 VAL 13 3HG2 VAL 13 -11.734 -13.728 0.082 36 HG22 VAL 13 1HG2 VAL 13 -11.731 -15.453 -0.284 37 HG23 VAL 13 2HG2 VAL 13 -13.162 -14.482 -0.628 38 H THR 14 H THR 14 -13.040 -13.203 -4.398 39 HA THR 14 HA THR 14 -11.057 -13.188 -6.382 40 HB THR 14 HB THR 14 -13.994 -12.594 -6.786 41 HG1 THR 14 1HG THR 14 -14.276 -14.810 -6.886 42 HG21 THR 14 3HG2 THR 14 -13.665 -12.824 -8.959 43 HG22 THR 14 1HG2 THR 14 -12.777 -14.329 -8.723 44 HG23 THR 14 2HG2 THR 14 -11.928 -12.785 -8.645 45 H LYS 15 H LYS 15 -13.256 -10.629 -5.266 46 HA LYS 15 HA LYS 15 -12.613 -8.700 -7.195 47 HB2 LYS 15 2HB LYS 15 -13.677 -8.552 -4.395 48 HB3 LYS 15 1HB LYS 15 -13.250 -7.075 -5.248 49 HG2 LYS 15 2HG LYS 15 -14.899 -7.399 -6.874 50 HG3 LYS 15 1HG LYS 15 -15.108 -9.098 -6.447 51 HD2 LYS 15 2HD LYS 15 -16.106 -8.485 -4.333 52 HD3 LYS 15 1HD LYS 15 -15.797 -6.776 -4.648 53 HE2 LYS 15 2HE LYS 15 -17.559 -6.580 -6.037 54 HE3 LYS 15 1HE LYS 15 -17.308 -8.175 -6.744 55 HZ1 LYS 15 3HZ LYS 15 -18.352 -7.909 -3.998 56 HZ2 LYS 15 1HZ LYS 15 -18.526 -9.195 -5.085 57 HZ3 LYS 15 2HZ LYS 15 -19.391 -7.761 -5.325 58 H ALA 16 H ALA 16 -11.078 -9.519 -4.125 59 HA ALA 16 HA ALA 16 -9.255 -7.370 -4.019 60 HB1 ALA 16 1HB ALA 16 -9.815 -8.913 -2.126 61 HB2 ALA 16 2HB ALA 16 -8.092 -8.617 -2.348 62 HB3 ALA 16 3HB ALA 16 -8.803 -10.133 -2.900 63 H GLU 17 H GLU 17 -8.996 -10.628 -5.407 64 HA GLU 17 HA GLU 17 -6.295 -10.436 -6.196 65 HB2 GLU 17 2HB GLU 17 -8.569 -12.137 -7.221 66 HB3 GLU 17 1HB GLU 17 -6.916 -12.291 -7.803 67 HG2 GLU 17 2HG GLU 17 -6.640 -12.400 -5.063 68 HG3 GLU 17 1HG GLU 17 -8.133 -13.285 -5.366 69 H GLU 18 H GLU 18 -9.318 -9.663 -7.887 70 HA GLU 18 HA GLU 18 -8.188 -9.080 -10.398 71 HB2 GLU 18 2HB GLU 18 -10.706 -8.140 -9.033 72 HB3 GLU 18 1HB GLU 18 -10.280 -7.626 -10.660 73 HG2 GLU 18 2HG GLU 18 -10.502 -9.784 -11.527 74 HG3 GLU 18 1HG GLU 18 -10.455 -10.525 -9.928 75 H MET 19 H MET 19 -8.615 -7.125 -7.489 76 HA MET 19 HA MET 19 -7.969 -4.625 -8.629 77 HB2 MET 19 2HB MET 19 -8.220 -5.727 -5.895 78 HB3 MET 19 1HB MET 19 -7.207 -4.298 -6.057 79 HG2 MET 19 2HG MET 19 -9.899 -4.294 -7.320 80 HG3 MET 19 1HG MET 19 -9.774 -4.104 -5.571 81 HE1 MET 19 3HE MET 19 -10.461 -2.231 -4.964 82 HE2 MET 19 1HE MET 19 -10.819 -0.997 -6.173 83 HE3 MET 19 2HE MET 19 -9.526 -0.735 -5.003 84 H ILE 20 H ILE 20 -5.948 -6.958 -6.827 85 HA ILE 20 HA ILE 20 -3.559 -5.451 -7.136 86 HB ILE 20 HB ILE 20 -2.425 -7.515 -6.372 87 HG12 ILE 20 2HG1 ILE 20 -5.186 -8.704 -6.108 88 HG13 ILE 20 1HG1 ILE 20 -4.104 -9.083 -7.443 89 HG21 ILE 20 1HG2 ILE 20 -4.778 -6.518 -4.797 90 HG22 ILE 20 2HG2 ILE 20 -3.100 -5.978 -4.704 91 HG23 ILE 20 3HG2 ILE 20 -3.544 -7.584 -4.125 92 HD11 ILE 20 3HD1 ILE 20 -4.041 -10.787 -5.705 93 HD12 ILE 20 1HD1 ILE 20 -3.532 -9.573 -4.531 94 HD13 ILE 20 2HD1 ILE 20 -2.478 -9.988 -5.883 95 H LYS 21 H LYS 21 -5.308 -7.474 -9.253 96 HA LYS 21 HA LYS 21 -3.259 -8.663 -10.740 97 HB2 LYS 21 2HB LYS 21 -6.000 -8.683 -10.813 98 HB3 LYS 21 1HB LYS 21 -5.604 -7.809 -12.287 99 HG2 LYS 21 2HG LYS 21 -3.890 -10.048 -12.171 100 HG3 LYS 21 1HG LYS 21 -5.513 -10.613 -11.772 101 HD2 LYS 21 2HD LYS 21 -6.274 -10.270 -13.860 102 HD3 LYS 21 1HD LYS 21 -5.405 -8.744 -14.032 103 HE2 LYS 21 2HE LYS 21 -4.018 -9.813 -15.410 104 HE3 LYS 21 1HE LYS 21 -3.405 -10.666 -13.995 105 HZ1 LYS 21 3HZ LYS 21 -5.553 -11.578 -15.831 106 HZ2 LYS 21 1HZ LYS 21 -5.146 -12.363 -14.389 107 HZ3 LYS 21 2HZ LYS 21 -4.015 -12.259 -15.643 108 H SER 22 H SER 22 -5.190 -5.801 -11.672 109 HA SER 22 HA SER 22 -3.141 -4.994 -13.557 110 HB2 SER 22 2HB SER 22 -5.503 -4.793 -14.198 111 HB3 SER 22 1HB SER 22 -5.781 -3.687 -12.855 112 HG SER 22 HG SER 22 -3.976 -3.225 -15.001 113 H HIS 23 H HIS 23 -4.129 -4.221 -10.332 114 HA HIS 23 HA HIS 23 -2.240 -1.959 -10.330 115 HB2 HIS 23 2HB HIS 23 -4.737 -2.359 -8.674 116 HB3 HIS 23 1HB HIS 23 -3.545 -1.108 -8.353 117 HD1 HIS 23 1HD HIS 23 -3.483 -1.007 -11.802 118 HD2 HIS 23 2HD HIS 23 -6.404 0.035 -9.033 119 HE1 HIS 23 1HE HIS 23 -4.998 0.605 -12.996 120 HE2 HIS 23 2HE HIS 23 -6.705 1.289 -11.273 121 HA PRO 24 HA PRO 24 -0.684 -5.372 -7.504 122 HB2 PRO 24 2HB PRO 24 1.824 -5.483 -8.530 123 HB3 PRO 24 1HB PRO 24 0.479 -6.426 -9.182 124 HG2 PRO 24 2HG PRO 24 1.638 -3.846 -10.170 125 HG3 PRO 24 1HG PRO 24 1.144 -5.279 -11.092 126 HD2 PRO 24 2HD PRO 24 -0.412 -3.075 -10.893 127 HD3 PRO 24 1HD PRO 24 -1.086 -4.712 -11.026 128 H TYR 25 H TYR 25 0.634 -2.287 -8.573 129 HA TYR 25 HA TYR 25 2.226 -2.020 -6.140 130 HB2 TYR 25 2HB TYR 25 2.086 -0.578 -8.760 131 HB3 TYR 25 1HB TYR 25 2.730 0.266 -7.358 132 HD1 TYR 25 1HD TYR 25 3.150 -3.335 -8.231 133 HD2 TYR 25 2HD TYR 25 4.997 0.487 -7.898 134 HE1 TYR 25 1HE TYR 25 5.346 -4.368 -8.623 135 HE2 TYR 25 2HE TYR 25 7.194 -0.538 -8.289 136 HH TYR 25 HH TYR 25 8.043 -2.692 -9.474 137 H PHE 26 H PHE 26 0.024 -2.073 -5.000 138 HA PHE 26 HA PHE 26 -1.208 0.598 -4.967 139 HB2 PHE 26 2HB PHE 26 -2.550 -1.616 -5.372 140 HB3 PHE 26 1HB PHE 26 -2.431 -1.785 -3.625 141 HD1 PHE 26 2HD PHE 26 -3.017 0.532 -2.346 142 HD2 PHE 26 1HD PHE 26 -4.471 -0.660 -6.164 143 HE1 PHE 26 2HE PHE 26 -4.950 2.026 -2.072 144 HE2 PHE 26 1HE PHE 26 -6.408 0.832 -5.895 145 HZ PHE 26 HZ PHE 26 -6.650 2.177 -3.847 146 H GLN 27 H GLN 27 -0.945 1.879 -3.266 147 HA GLN 27 HA GLN 27 0.074 0.695 -0.768 148 HB2 GLN 27 2HB GLN 27 1.435 2.459 -2.310 149 HB3 GLN 27 1HB GLN 27 0.563 3.571 -1.262 150 HG2 GLN 27 2HG GLN 27 1.914 1.308 0.063 151 HG3 GLN 27 1HG GLN 27 2.952 2.533 -0.662 152 HE21 GLN 27 1HE2 GLN 27 3.693 3.671 1.015 153 HE22 GLN 27 2HE2 GLN 27 2.714 4.414 2.228 154 H LEU 28 H LEU 28 -1.608 0.564 0.574 155 HA LEU 28 HA LEU 28 -3.665 2.621 0.594 156 HB2 LEU 28 2HB LEU 28 -3.385 -0.134 1.632 157 HB3 LEU 28 1HB LEU 28 -4.366 0.945 2.600 158 HG LEU 28 HG LEU 28 -4.993 0.952 -0.279 159 HD11 LEU 28 1HD1 LEU 28 -4.742 -1.331 -0.324 160 HD12 LEU 28 2HD1 LEU 28 -6.417 -1.182 0.205 161 HD13 LEU 28 3HD1 LEU 28 -5.149 -1.520 1.382 162 HD21 LEU 28 3HD2 LEU 28 -7.316 0.592 0.910 163 HD22 LEU 28 1HD2 LEU 28 -6.516 2.163 0.926 164 HD23 LEU 28 2HD2 LEU 28 -6.413 1.108 2.333 165 H SER 29 H SER 29 -3.675 4.289 1.968 166 HA SER 29 HA SER 29 -2.289 4.046 4.541 167 HB2 SER 29 2HB SER 29 -0.952 5.256 2.606 168 HB3 SER 29 1HB SER 29 -1.991 6.615 3.038 169 HG SER 29 HG SER 29 0.121 5.516 4.394 170 H ALA 30 H ALA 30 -2.727 6.288 5.797 171 HA ALA 30 HA ALA 30 -5.442 7.242 5.301 172 HB1 ALA 30 1HB ALA 30 -5.033 6.523 8.116 173 HB2 ALA 30 2HB ALA 30 -5.139 5.149 7.014 174 HB3 ALA 30 3HB ALA 30 -6.451 6.324 7.087 175 H SER 31 H SER 31 -5.999 9.149 6.531 176 HA SER 31 HA SER 31 -3.683 10.821 7.015 177 HB2 SER 31 2HB SER 31 -6.618 11.300 6.690 178 HB3 SER 31 1HB SER 31 -5.649 12.524 7.511 179 HG SER 31 HG SER 31 -4.411 12.753 5.680 180 H TRP 32 H TRP 32 -3.462 9.028 8.893 181 HA TRP 32 HA TRP 32 -4.393 10.371 11.340 182 HB2 TRP 32 2HB TRP 32 -4.465 7.465 10.632 183 HB3 TRP 32 1HB TRP 32 -4.177 7.918 12.307 184 HD1 TRP 32 HD TRP 32 -6.204 10.344 12.556 185 HE1 TRP 32 1HE TRP 32 -8.737 9.892 12.549 186 HE3 TRP 32 3HE TRP 32 -6.210 5.771 10.264 187 HZ2 TRP 32 2HZ TRP 32 -10.505 7.866 11.687 188 HZ3 TRP 32 3HZ TRP 32 -8.365 4.645 9.887 189 HH2 TRP 32 HH TRP 32 -10.467 5.672 10.585 190 H CYS 33 H CYS 33 -1.952 8.183 9.950 191 HA CYS 33 HA CYS 33 -0.034 9.126 11.974 192 HB2 CYS 33 2HB CYS 33 -0.661 6.536 11.149 193 HB3 CYS 33 1HB CYS 33 0.873 6.881 10.358 194 HG CYS 33 HG CYS 33 1.886 6.277 12.498 195 HA PRO 34 HA PRO 34 2.388 11.376 9.048 196 HB2 PRO 34 2HB PRO 34 4.780 9.970 10.106 197 HB3 PRO 34 1HB PRO 34 4.446 11.703 10.000 198 HG2 PRO 34 2HG PRO 34 4.339 10.442 12.340 199 HG3 PRO 34 1HG PRO 34 3.159 11.703 11.933 200 HD2 PRO 34 2HD PRO 34 2.836 8.727 11.912 201 HD3 PRO 34 1HD PRO 34 1.695 9.981 12.441 202 H ASP 35 H ASP 35 2.584 7.912 9.169 203 HA ASP 35 HA ASP 35 4.378 7.308 7.158 204 HB2 ASP 35 2HB ASP 35 1.784 5.926 7.863 205 HB3 ASP 35 1HB ASP 35 3.005 5.247 6.793 206 H CYS 36 H CYS 36 0.937 8.169 6.834 207 HA CYS 36 HA CYS 36 0.719 7.748 4.072 208 HB2 CYS 36 2HB CYS 36 -1.234 8.084 5.499 209 HB3 CYS 36 1HB CYS 36 -0.750 9.747 5.805 210 HG CYS 36 HG CYS 36 -2.509 8.979 3.629 211 H VAL 37 H VAL 37 1.221 10.846 5.783 212 HA VAL 37 HA VAL 37 1.710 12.371 3.477 213 HB VAL 37 HB VAL 37 2.792 14.024 4.980 214 HG11 VAL 37 1HG1 VAL 37 0.805 14.751 5.839 215 HG12 VAL 37 2HG1 VAL 37 0.341 13.152 6.419 216 HG13 VAL 37 3HG1 VAL 37 0.212 13.538 4.703 217 HG21 VAL 37 3HG2 VAL 37 3.875 12.489 6.534 218 HG22 VAL 37 1HG2 VAL 37 2.302 11.955 7.122 219 HG23 VAL 37 2HG2 VAL 37 2.828 13.614 7.397 220 H TYR 38 H TYR 38 3.837 10.349 5.402 221 HA TYR 38 HA TYR 38 6.272 11.318 4.251 222 HB2 TYR 38 2HB TYR 38 5.909 10.056 6.494 223 HB3 TYR 38 1HB TYR 38 5.976 8.605 5.504 224 HD1 TYR 38 2HD TYR 38 7.940 11.791 5.781 225 HD2 TYR 38 1HD TYR 38 8.014 7.543 5.517 226 HE1 TYR 38 2HE TYR 38 10.396 11.831 5.899 227 HE2 TYR 38 1HE TYR 38 10.468 7.571 5.638 228 HH TYR 38 HH TYR 38 12.314 10.247 5.129 229 H ALA 39 H ALA 39 3.968 8.787 3.462 230 HA ALA 39 HA ALA 39 5.644 7.428 1.586 231 HB1 ALA 39 1HB ALA 39 2.710 7.247 1.264 232 HB2 ALA 39 2HB ALA 39 3.368 6.725 2.815 233 HB3 ALA 39 3HB ALA 39 3.930 5.976 1.322 234 H ASN 40 H ASN 40 3.132 9.919 1.324 235 HA ASN 40 HA ASN 40 3.255 10.024 -1.534 236 HB2 ASN 40 2HB ASN 40 1.783 11.448 0.600 237 HB3 ASN 40 1HB ASN 40 2.066 12.362 -0.879 238 HD21 ASN 40 1HD2 ASN 40 -0.358 11.067 0.408 239 HD22 ASN 40 2HD2 ASN 40 -1.074 10.159 -0.874 240 H SER 41 H SER 41 4.915 11.618 1.092 241 HA SER 41 HA SER 41 5.849 13.860 -0.315 242 HB2 SER 41 2HB SER 41 7.467 14.125 1.469 243 HB3 SER 41 1HB SER 41 5.930 13.616 2.163 244 HG SER 41 HG SER 41 7.707 12.449 3.022 245 H ILE 42 H ILE 42 7.334 10.665 0.228 246 HA ILE 42 HA ILE 42 9.689 11.216 -1.250 247 HB ILE 42 HB ILE 42 8.472 8.498 -0.744 248 HG12 ILE 42 2HG1 ILE 42 8.747 9.789 1.354 249 HG13 ILE 42 1HG1 ILE 42 9.831 8.408 1.276 250 HG21 ILE 42 1HG2 ILE 42 11.216 9.431 -1.531 251 HG22 ILE 42 2HG2 ILE 42 10.172 8.265 -2.344 252 HG23 ILE 42 3HG2 ILE 42 10.934 7.847 -0.810 253 HD11 ILE 42 3HD1 ILE 42 10.610 11.244 0.652 254 HD12 ILE 42 1HD1 ILE 42 11.681 9.846 0.710 255 HD13 ILE 42 2HD1 ILE 42 10.901 10.421 2.184 256 H TRP 43 H TRP 43 6.628 9.621 -2.117 257 HA TRP 43 HA TRP 43 7.367 8.898 -4.738 258 HB2 TRP 43 2HB TRP 43 4.867 9.048 -3.188 259 HB3 TRP 43 1HB TRP 43 4.662 9.245 -4.925 260 HD1 TRP 43 HD TRP 43 4.375 7.060 -6.219 261 HE1 TRP 43 1HE TRP 43 4.921 4.582 -5.799 262 HE3 TRP 43 3HE TRP 43 6.824 7.502 -1.750 263 HZ2 TRP 43 2HZ TRP 43 6.213 3.018 -3.842 264 HZ3 TRP 43 3HZ TRP 43 7.681 5.464 -0.671 265 HH2 TRP 43 HH TRP 43 7.382 3.269 -1.698 266 H ASN 44 H ASN 44 5.907 11.836 -3.420 267 HA ASN 44 HA ASN 44 5.394 13.077 -5.925 268 HB2 ASN 44 2HB ASN 44 4.396 13.649 -3.626 269 HB3 ASN 44 1HB ASN 44 5.874 14.560 -3.347 270 HD21 ASN 44 1HD2 ASN 44 4.427 16.392 -3.148 271 HD22 ASN 44 2HD2 ASN 44 3.893 17.206 -4.575 272 H LYS 45 H LYS 45 8.191 12.950 -3.809 273 HA LYS 45 HA LYS 45 9.606 15.046 -5.191 274 HB2 LYS 45 2HB LYS 45 9.831 14.154 -2.696 275 HB3 LYS 45 1HB LYS 45 11.018 13.089 -3.437 276 HG2 LYS 45 2HG LYS 45 11.331 15.883 -4.218 277 HG3 LYS 45 1HG LYS 45 11.493 15.612 -2.482 278 HD2 LYS 45 2HD LYS 45 12.925 13.823 -4.404 279 HD3 LYS 45 1HD LYS 45 13.580 15.420 -4.039 280 HE2 LYS 45 2HE LYS 45 13.216 14.678 -1.556 281 HE3 LYS 45 1HE LYS 45 13.224 13.056 -2.245 282 HZ1 LYS 45 3HZ LYS 45 15.427 13.291 -1.862 283 HZ2 LYS 45 1HZ LYS 45 15.404 14.977 -1.991 284 HZ3 LYS 45 2HZ LYS 45 15.395 14.022 -3.387 285 H LEU 46 H LEU 46 9.412 11.549 -5.321 286 HA LEU 46 HA LEU 46 11.733 11.266 -6.993 287 HB2 LEU 46 2HB LEU 46 9.631 9.417 -5.953 288 HB3 LEU 46 1HB LEU 46 10.647 8.896 -7.284 289 HG LEU 46 HG LEU 46 11.860 9.923 -4.734 290 HD11 LEU 46 1HD1 LEU 46 11.379 7.009 -5.220 291 HD12 LEU 46 2HD1 LEU 46 10.166 8.000 -4.408 292 HD13 LEU 46 3HD1 LEU 46 11.782 7.839 -3.719 293 HD21 LEU 46 3HD2 LEU 46 13.815 9.137 -5.550 294 HD22 LEU 46 1HD2 LEU 46 13.001 9.346 -7.101 295 HD23 LEU 46 2HD2 LEU 46 13.057 7.755 -6.343 296 H ASN 47 H ASN 47 8.600 12.320 -7.594 297 HA ASN 47 HA ASN 47 7.347 12.630 -9.453 298 HB2 ASN 47 2HB ASN 47 9.415 13.780 -10.166 299 HB3 ASN 47 1HB ASN 47 10.000 12.270 -10.854 300 HD21 ASN 47 1HD2 ASN 47 10.092 12.895 -12.959 301 HD22 ASN 47 2HD2 ASN 47 8.706 13.336 -13.892 302 H VAL 48 H VAL 48 7.099 10.120 -8.495 303 HA VAL 48 HA VAL 48 6.778 8.541 -10.950 304 HB VAL 48 HB VAL 48 7.341 6.467 -9.667 305 HG11 VAL 48 1HG1 VAL 48 9.520 8.522 -9.999 306 HG12 VAL 48 2HG1 VAL 48 8.953 7.368 -11.204 307 HG13 VAL 48 3HG1 VAL 48 9.796 6.796 -9.765 308 HG21 VAL 48 3HG2 VAL 48 9.000 7.166 -7.677 309 HG22 VAL 48 1HG2 VAL 48 7.296 6.788 -7.430 310 HG23 VAL 48 2HG2 VAL 48 7.819 8.469 -7.548 311 H GLN 49 H GLN 49 4.877 10.153 -9.463 312 HA GLN 49 HA GLN 49 3.225 8.411 -7.898 313 HB2 GLN 49 2HB GLN 49 3.437 11.027 -7.851 314 HB3 GLN 49 1HB GLN 49 2.204 10.952 -9.102 315 HG2 GLN 49 2HG GLN 49 1.314 9.253 -7.070 316 HG3 GLN 49 1HG GLN 49 1.946 10.681 -6.255 317 HE21 GLN 49 1HE2 GLN 49 0.142 10.095 -9.266 318 HE22 GLN 49 2HE2 GLN 49 -1.107 11.241 -8.935 319 H ASP 50 H ASP 50 3.467 9.198 -11.272 320 HA ASP 50 HA ASP 50 0.816 8.272 -11.944 321 HB2 ASP 50 2HB ASP 50 3.118 9.429 -13.402 322 HB3 ASP 50 1HB ASP 50 2.130 8.302 -14.324 323 H LYS 51 H LYS 51 4.120 7.017 -12.157 324 HA LYS 51 HA LYS 51 3.475 4.617 -13.508 325 HB2 LYS 51 2HB LYS 51 5.812 5.456 -11.807 326 HB3 LYS 51 1HB LYS 51 5.713 3.850 -12.516 327 HG2 LYS 51 2HG LYS 51 5.557 4.883 -14.754 328 HG3 LYS 51 1HG LYS 51 5.752 6.469 -14.007 329 HD2 LYS 51 2HD LYS 51 7.904 5.475 -12.986 330 HD3 LYS 51 1HD LYS 51 7.734 4.230 -14.225 331 HE2 LYS 51 2HE LYS 51 8.296 5.638 -15.903 332 HE3 LYS 51 1HE LYS 51 7.478 7.014 -15.163 333 HZ1 LYS 51 3HZ LYS 51 9.318 7.320 -13.681 334 HZ2 LYS 51 1HZ LYS 51 9.915 7.255 -15.263 335 HZ3 LYS 51 2HZ LYS 51 10.080 5.918 -14.241 336 H VAL 52 H VAL 52 3.059 5.587 -10.220 337 HA VAL 52 HA VAL 52 2.490 2.799 -9.435 338 HB VAL 52 HB VAL 52 3.201 5.067 -7.565 339 HG11 VAL 52 1HG1 VAL 52 3.812 2.932 -6.159 340 HG12 VAL 52 2HG1 VAL 52 2.642 2.162 -7.230 341 HG13 VAL 52 3HG1 VAL 52 2.157 3.531 -6.229 342 HG21 VAL 52 3HG2 VAL 52 4.946 3.784 -9.335 343 HG22 VAL 52 1HG2 VAL 52 5.233 3.035 -7.764 344 HG23 VAL 52 2HG2 VAL 52 5.374 4.783 -7.945 345 H PHE 53 H PHE 53 0.738 2.615 -7.744 346 HA PHE 53 HA PHE 53 -1.281 4.725 -8.074 347 HB2 PHE 53 2HB PHE 53 -1.480 1.808 -8.515 348 HB3 PHE 53 1HB PHE 53 -2.805 2.522 -7.602 349 HD1 PHE 53 1HD PHE 53 -0.791 3.423 -10.625 350 HD2 PHE 53 2HD PHE 53 -4.643 3.061 -8.848 351 HE1 PHE 53 1HE PHE 53 -1.827 4.184 -12.723 352 HE2 PHE 53 2HE PHE 53 -5.683 3.822 -10.943 353 HZ PHE 53 HZ PHE 53 -4.277 4.382 -12.884 354 H VAL 54 H VAL 54 -1.471 5.720 -6.229 355 HA VAL 54 HA VAL 54 -1.481 4.162 -3.722 356 HB VAL 54 HB VAL 54 -0.645 7.052 -3.989 357 HG11 VAL 54 1HG1 VAL 54 -1.391 6.641 -1.790 358 HG12 VAL 54 2HG1 VAL 54 0.368 6.560 -1.724 359 HG13 VAL 54 3HG1 VAL 54 -0.581 5.076 -1.725 360 HG21 VAL 54 3HG2 VAL 54 0.902 4.552 -4.321 361 HG22 VAL 54 1HG2 VAL 54 1.644 5.814 -3.337 362 HG23 VAL 54 2HG2 VAL 54 1.172 6.157 -5.001 363 H PHE 55 H PHE 55 -3.187 4.401 -2.381 364 HA PHE 55 HA PHE 55 -5.080 6.589 -2.892 365 HB2 PHE 55 2HB PHE 55 -5.650 4.135 -3.782 366 HB3 PHE 55 1HB PHE 55 -6.195 3.937 -2.120 367 HD1 PHE 55 2HD PHE 55 -6.466 6.496 -4.835 368 HD2 PHE 55 1HD PHE 55 -8.419 4.308 -1.749 369 HE1 PHE 55 2HE PHE 55 -8.592 7.592 -5.407 370 HE2 PHE 55 1HE PHE 55 -10.548 5.400 -2.318 371 HZ PHE 55 HZ PHE 55 -10.637 7.044 -4.149 372 H ASP 56 H ASP 56 -5.728 7.633 -1.121 373 HA ASP 56 HA ASP 56 -4.920 6.555 1.482 374 HB2 ASP 56 2HB ASP 56 -5.707 9.376 0.717 375 HB3 ASP 56 1HB ASP 56 -5.140 8.862 2.303 376 H ILE 57 H ILE 57 -6.329 6.599 3.273 377 HA ILE 57 HA ILE 57 -9.186 6.762 2.596 378 HB ILE 57 HB ILE 57 -9.624 4.907 4.123 379 HG12 ILE 57 2HG1 ILE 57 -6.802 4.071 4.350 380 HG13 ILE 57 1HG1 ILE 57 -7.219 5.498 5.291 381 HG21 ILE 57 1HG2 ILE 57 -8.785 3.125 2.769 382 HG22 ILE 57 2HG2 ILE 57 -7.463 4.133 2.177 383 HG23 ILE 57 3HG2 ILE 57 -9.127 4.502 1.723 384 HD11 ILE 57 3HD1 ILE 57 -7.459 3.552 6.660 385 HD12 ILE 57 1HD1 ILE 57 -8.496 2.782 5.459 386 HD13 ILE 57 2HD1 ILE 57 -9.062 4.208 6.327 387 H GLY 58 H GLY 58 -9.642 6.044 5.552 388 HA2 GLY 58 2HA GLY 58 -9.324 7.157 7.650 389 HA3 GLY 58 1HA GLY 58 -8.827 8.591 6.768 390 H SER 59 H SER 59 -11.566 7.039 5.433 391 HA SER 59 HA SER 59 -13.479 8.553 7.020 392 HB2 SER 59 2HB SER 59 -13.095 9.019 4.053 393 HB3 SER 59 1HB SER 59 -14.439 9.645 5.003 394 HG SER 59 HG SER 59 -11.961 10.640 4.721 395 H LEU 60 H LEU 60 -13.005 5.715 6.599 396 HA LEU 60 HA LEU 60 -15.274 4.884 4.946 397 HB2 LEU 60 2HB LEU 60 -13.489 2.974 6.399 398 HB3 LEU 60 1HB LEU 60 -14.393 2.731 4.920 399 HG LEU 60 HG LEU 60 -12.340 4.787 4.644 400 HD11 LEU 60 1HD1 LEU 60 -11.061 3.537 6.199 401 HD12 LEU 60 2HD1 LEU 60 -10.481 3.092 4.596 402 HD13 LEU 60 3HD1 LEU 60 -11.553 2.006 5.479 403 HD21 LEU 60 3HD2 LEU 60 -11.812 3.483 2.648 404 HD22 LEU 60 1HD2 LEU 60 -13.543 3.793 2.771 405 HD23 LEU 60 2HD2 LEU 60 -12.900 2.204 3.189 406 HA PRO 61 HA PRO 61 -17.769 4.780 8.680 407 HB2 PRO 61 2HB PRO 61 -19.683 3.467 6.841 408 HB3 PRO 61 1HB PRO 61 -19.891 4.917 7.827 409 HG2 PRO 61 2HG PRO 61 -19.623 5.082 5.180 410 HG3 PRO 61 1HG PRO 61 -18.884 6.289 6.251 411 HD2 PRO 61 2HD PRO 61 -17.613 3.969 4.845 412 HD3 PRO 61 1HD PRO 61 -17.008 5.626 5.058 413 H ARG 62 H ARG 62 -19.510 2.906 9.365 414 HA ARG 62 HA ARG 62 -17.864 0.632 9.949 415 HB2 ARG 62 2HB ARG 62 -20.546 1.594 10.790 416 HB3 ARG 62 1HB ARG 62 -20.215 -0.124 10.960 417 HG2 ARG 62 2HG ARG 62 -17.987 1.336 11.971 418 HG3 ARG 62 1HG ARG 62 -19.465 1.985 12.680 419 HD2 ARG 62 2HD ARG 62 -19.164 0.304 14.154 420 HD3 ARG 62 1HD ARG 62 -19.969 -0.644 12.905 421 HE ARG 62 HE ARG 62 -17.099 -0.529 12.644 422 HH11 ARG 62 1HH1 ARG 62 -19.791 -2.255 14.080 423 HH12 ARG 62 2HH1 ARG 62 -18.903 -3.727 14.271 424 HH21 ARG 62 1HH2 ARG 62 -15.937 -2.482 12.906 425 HH22 ARG 62 2HH2 ARG 62 -16.723 -3.855 13.609 426 H ASN 63 H ASN 63 -19.476 1.291 7.185 427 HA ASN 63 HA ASN 63 -20.337 -1.490 6.752 428 HB2 ASN 63 2HB ASN 63 -21.639 0.903 6.161 429 HB3 ASN 63 1HB ASN 63 -20.993 0.377 4.609 430 HD21 ASN 63 1HD2 ASN 63 -23.343 0.233 4.143 431 HD22 ASN 63 2HD2 ASN 63 -24.151 -1.246 4.523 432 H GLU 64 H GLU 64 -18.374 1.130 5.435 433 HA GLU 64 HA GLU 64 -17.421 -0.359 3.192 434 HB2 GLU 64 2HB GLU 64 -17.540 2.161 3.374 435 HB3 GLU 64 1HB GLU 64 -16.142 2.075 4.435 436 HG2 GLU 64 2HG GLU 64 -14.981 2.361 2.548 437 HG3 GLU 64 1HG GLU 64 -15.253 0.636 2.331 438 H GLN 65 H GLN 65 -16.171 0.346 6.431 439 HA GLN 65 HA GLN 65 -13.583 -0.668 6.089 440 HB2 GLN 65 2HB GLN 65 -15.350 -0.169 8.440 441 HB3 GLN 65 1HB GLN 65 -13.898 -1.132 8.674 442 HG2 GLN 65 2HG GLN 65 -12.964 1.011 7.250 443 HG3 GLN 65 1HG GLN 65 -14.206 1.732 8.270 444 HE21 GLN 65 1HE2 GLN 65 -11.739 2.578 8.703 445 HE22 GLN 65 2HE2 GLN 65 -11.079 1.910 10.153 446 H GLU 66 H GLU 66 -16.600 -2.309 6.963 447 HA GLU 66 HA GLU 66 -15.470 -4.782 7.682 448 HB2 GLU 66 2HB GLU 66 -18.188 -3.927 6.748 449 HB3 GLU 66 1HB GLU 66 -17.817 -5.639 6.903 450 HG2 GLU 66 2HG GLU 66 -17.115 -5.153 9.272 451 HG3 GLU 66 1HG GLU 66 -17.807 -3.546 9.058 452 H LYS 67 H LYS 67 -16.354 -3.441 4.544 453 HA LYS 67 HA LYS 67 -16.161 -5.827 3.050 454 HB2 LYS 67 2HB LYS 67 -15.807 -2.939 2.246 455 HB3 LYS 67 1HB LYS 67 -15.814 -4.269 1.097 456 HG2 LYS 67 2HG LYS 67 -18.073 -4.736 1.473 457 HG3 LYS 67 1HG LYS 67 -18.100 -3.827 2.986 458 HD2 LYS 67 2HD LYS 67 -17.398 -1.859 1.314 459 HD3 LYS 67 1HD LYS 67 -18.304 -2.876 0.190 460 HE2 LYS 67 2HE LYS 67 -19.737 -2.653 2.663 461 HE3 LYS 67 1HE LYS 67 -19.312 -1.044 2.083 462 HZ1 LYS 67 3HZ LYS 67 -20.198 -2.105 -0.168 463 HZ2 LYS 67 1HZ LYS 67 -21.223 -1.337 0.937 464 HZ3 LYS 67 2HZ LYS 67 -21.111 -3.024 0.920 465 H TRP 68 H TRP 68 -13.774 -3.199 3.504 466 HA TRP 68 HA TRP 68 -11.707 -4.563 2.110 467 HB2 TRP 68 2HB TRP 68 -11.907 -2.087 3.731 468 HB3 TRP 68 1HB TRP 68 -10.307 -2.809 3.591 469 HD1 TRP 68 HD TRP 68 -8.963 -2.042 1.559 470 HE1 TRP 68 1HE TRP 68 -9.507 -0.967 -0.716 471 HE3 TRP 68 3HE TRP 68 -14.069 -2.068 1.842 472 HZ2 TRP 68 2HZ TRP 68 -11.797 -0.230 -2.194 473 HZ3 TRP 68 3HZ TRP 68 -15.360 -1.159 -0.042 474 HH2 TRP 68 HH TRP 68 -14.246 -0.257 -2.019 475 H ARG 69 H ARG 69 -12.622 -4.366 5.508 476 HA ARG 69 HA ARG 69 -10.360 -5.436 6.696 477 HB2 ARG 69 2HB ARG 69 -12.159 -4.506 8.011 478 HB3 ARG 69 1HB ARG 69 -13.265 -5.758 7.462 479 HG2 ARG 69 2HG ARG 69 -12.511 -7.259 8.953 480 HG3 ARG 69 1HG ARG 69 -10.833 -6.740 8.790 481 HD2 ARG 69 2HD ARG 69 -11.102 -5.852 10.830 482 HD3 ARG 69 1HD ARG 69 -11.987 -4.576 10.000 483 HE ARG 69 HE ARG 69 -13.093 -6.692 11.644 484 HH11 ARG 69 1HH1 ARG 69 -13.742 -4.148 9.321 485 HH12 ARG 69 2HH1 ARG 69 -15.418 -4.034 9.731 486 HH21 ARG 69 1HH2 ARG 69 -15.310 -6.537 12.170 487 HH22 ARG 69 2HH2 ARG 69 -16.309 -5.391 11.342 488 H ILE 70 H ILE 70 -13.163 -7.172 5.332 489 HA ILE 70 HA ILE 70 -12.147 -9.757 5.977 490 HB ILE 70 HB ILE 70 -14.191 -9.093 3.854 491 HG12 ILE 70 2HG1 ILE 70 -14.922 -10.006 6.610 492 HG13 ILE 70 1HG1 ILE 70 -14.547 -8.306 6.351 493 HG21 ILE 70 1HG2 ILE 70 -14.970 -11.457 4.640 494 HG22 ILE 70 2HG2 ILE 70 -13.300 -11.609 5.188 495 HG23 ILE 70 3HG2 ILE 70 -13.646 -11.298 3.487 496 HD11 ILE 70 3HD1 ILE 70 -16.806 -9.925 5.271 497 HD12 ILE 70 1HD1 ILE 70 -16.269 -8.470 4.432 498 HD13 ILE 70 2HD1 ILE 70 -16.835 -8.368 6.098 499 H ALA 71 H ALA 71 -12.331 -7.953 2.898 500 HA ALA 71 HA ALA 71 -11.106 -9.836 1.264 501 HB1 ALA 71 1HB ALA 71 -10.748 -6.871 0.920 502 HB2 ALA 71 2HB ALA 71 -12.262 -7.702 0.568 503 HB3 ALA 71 3HB ALA 71 -10.799 -8.119 -0.323 504 H PHE 72 H PHE 72 -9.518 -7.060 2.880 505 HA PHE 72 HA PHE 72 -6.907 -7.721 2.083 506 HB2 PHE 72 2HB PHE 72 -8.117 -5.689 3.599 507 HB3 PHE 72 1HB PHE 72 -6.928 -6.425 4.667 508 HD1 PHE 72 1HD PHE 72 -7.065 -5.501 1.042 509 HD2 PHE 72 2HD PHE 72 -4.935 -5.304 4.724 510 HE1 PHE 72 1HE PHE 72 -5.284 -4.211 -0.061 511 HE2 PHE 72 2HE PHE 72 -3.153 -4.012 3.625 512 HZ PHE 72 HZ PHE 72 -3.325 -3.464 1.232 513 H GLN 73 H GLN 73 -8.724 -8.593 5.016 514 HA GLN 73 HA GLN 73 -6.591 -9.904 6.325 515 HB2 GLN 73 2HB GLN 73 -8.734 -9.139 7.386 516 HB3 GLN 73 1HB GLN 73 -9.534 -10.508 6.628 517 HG2 GLN 73 2HG GLN 73 -8.473 -12.049 7.978 518 HG3 GLN 73 1HG GLN 73 -7.145 -10.955 8.356 519 HE21 GLN 73 1HE2 GLN 73 -7.426 -11.384 10.573 520 HE22 GLN 73 2HE2 GLN 73 -8.720 -10.673 11.469 521 H LYS 74 H LYS 74 -8.783 -10.936 3.807 522 HA LYS 74 HA LYS 74 -8.221 -13.741 4.137 523 HB2 LYS 74 2HB LYS 74 -10.213 -12.274 2.899 524 HB3 LYS 74 1HB LYS 74 -9.298 -12.926 1.553 525 HG2 LYS 74 2HG LYS 74 -10.174 -14.709 3.786 526 HG3 LYS 74 1HG LYS 74 -11.294 -14.262 2.500 527 HD2 LYS 74 2HD LYS 74 -10.330 -15.657 1.042 528 HD3 LYS 74 1HD LYS 74 -8.709 -15.115 1.474 529 HE2 LYS 74 2HE LYS 74 -8.364 -16.882 2.797 530 HE3 LYS 74 1HE LYS 74 -9.937 -16.707 3.571 531 HZ1 LYS 74 3HZ LYS 74 -10.882 -18.202 2.191 532 HZ2 LYS 74 1HZ LYS 74 -9.296 -18.770 2.042 533 HZ3 LYS 74 2HZ LYS 74 -9.947 -17.759 0.854 534 H VAL 75 H VAL 75 -6.959 -11.087 2.222 535 HA VAL 75 HA VAL 75 -5.438 -12.861 0.505 536 HB VAL 75 HB VAL 75 -5.326 -9.845 0.634 537 HG11 VAL 75 1HG1 VAL 75 -4.662 -10.465 -1.886 538 HG12 VAL 75 2HG1 VAL 75 -4.053 -11.903 -1.068 539 HG13 VAL 75 3HG1 VAL 75 -3.476 -10.307 -0.592 540 HG21 VAL 75 3HG2 VAL 75 -6.775 -11.303 -1.517 541 HG22 VAL 75 1HG2 VAL 75 -7.048 -9.688 -0.862 542 HG23 VAL 75 2HG2 VAL 75 -7.568 -11.107 0.044 543 H VAL 76 H VAL 76 -4.718 -10.377 2.971 544 HA VAL 76 HA VAL 76 -2.013 -11.514 3.146 545 HB VAL 76 HB VAL 76 -1.975 -9.189 2.428 546 HG11 VAL 76 1HG1 VAL 76 -2.608 -7.592 4.523 547 HG12 VAL 76 2HG1 VAL 76 -3.842 -8.840 4.668 548 HG13 VAL 76 3HG1 VAL 76 -3.685 -7.932 3.167 549 HG21 VAL 76 3HG2 VAL 76 -0.074 -9.856 3.662 550 HG22 VAL 76 1HG2 VAL 76 -0.933 -9.737 5.196 551 HG23 VAL 76 2HG2 VAL 76 -0.534 -8.276 4.294 552 H GLY 77 H GLY 77 -4.843 -10.566 5.010 553 HA2 GLY 77 2HA GLY 77 -5.494 -11.307 7.106 554 HA3 GLY 77 1HA GLY 77 -4.013 -12.246 7.192 555 H SER 78 H SER 78 -4.197 -8.774 6.612 556 HA SER 78 HA SER 78 -3.347 -8.201 9.342 557 HB2 SER 78 2HB SER 78 -1.396 -8.558 7.516 558 HB3 SER 78 1HB SER 78 -1.750 -6.853 7.230 559 HG SER 78 HG SER 78 -0.174 -7.040 8.825 560 H ARG 79 H ARG 79 -5.245 -7.078 9.687 561 HA ARG 79 HA ARG 79 -5.931 -4.884 7.887 562 HB2 ARG 79 2HB ARG 79 -7.476 -6.665 9.330 563 HB3 ARG 79 1HB ARG 79 -7.580 -5.193 10.286 564 HG2 ARG 79 2HG ARG 79 -7.981 -4.950 7.361 565 HG3 ARG 79 1HG ARG 79 -9.255 -5.725 8.305 566 HD2 ARG 79 2HD ARG 79 -9.710 -3.809 9.512 567 HD3 ARG 79 1HD ARG 79 -8.104 -3.137 9.242 568 HE ARG 79 HE ARG 79 -9.665 -3.370 6.843 569 HH11 ARG 79 1HH1 ARG 79 -8.981 -1.334 9.615 570 HH12 ARG 79 2HH1 ARG 79 -9.468 0.122 8.816 571 HH21 ARG 79 1HH2 ARG 79 -10.302 -1.441 5.802 572 HH22 ARG 79 2HH2 ARG 79 -10.216 0.062 6.655 573 H ASN 80 H ASN 80 -3.523 -4.550 9.264 574 HA ASN 80 HA ASN 80 -4.187 -2.459 11.231 575 HB2 ASN 80 2HB ASN 80 -2.854 -4.390 12.103 576 HB3 ASN 80 1HB ASN 80 -1.578 -3.973 10.964 577 HD21 ASN 80 1HD2 ASN 80 -3.634 -2.203 13.272 578 HD22 ASN 80 2HD2 ASN 80 -2.334 -1.353 14.028 579 H LEU 81 H LEU 81 -4.446 -0.796 9.731 580 HA LEU 81 HA LEU 81 -2.629 -0.212 7.650 581 HB2 LEU 81 2HB LEU 81 -3.739 2.009 7.592 582 HB3 LEU 81 1HB LEU 81 -4.856 0.660 7.543 583 HG LEU 81 HG LEU 81 -4.981 1.079 10.149 584 HD11 LEU 81 1HD1 LEU 81 -3.758 3.560 9.056 585 HD12 LEU 81 2HD1 LEU 81 -3.509 2.765 10.610 586 HD13 LEU 81 3HD1 LEU 81 -4.974 3.704 10.323 587 HD21 LEU 81 3HD2 LEU 81 -6.438 3.159 8.642 588 HD22 LEU 81 1HD2 LEU 81 -7.038 1.923 9.748 589 HD23 LEU 81 2HD2 LEU 81 -6.644 1.499 8.083 590 HA PRO 82 HA PRO 82 -1.955 1.755 6.601 591 HB2 PRO 82 2HB PRO 82 0.479 2.423 5.681 592 HB3 PRO 82 1HB PRO 82 -0.567 3.594 6.491 593 HG2 PRO 82 2HG PRO 82 1.761 2.061 7.580 594 HG3 PRO 82 1HG PRO 82 1.332 3.763 7.821 595 HD2 PRO 82 2HD PRO 82 0.796 1.786 9.637 596 HD3 PRO 82 1HD PRO 82 -0.158 3.275 9.491 597 H THR 83 H THR 83 -1.058 0.709 4.594 598 HA THR 83 HA THR 83 0.625 -1.624 5.045 599 HB THR 83 HB THR 83 -1.231 -2.933 3.678 600 HG1 THR 83 1HG THR 83 -2.632 -1.087 3.609 601 HG21 THR 83 3HG2 THR 83 -1.899 -2.570 6.554 602 HG22 THR 83 1HG2 THR 83 -0.358 -3.295 6.098 603 HG23 THR 83 2HG2 THR 83 -1.870 -4.038 5.576 604 H ILE 84 H ILE 84 1.879 -2.098 3.316 605 HA ILE 84 HA ILE 84 1.281 -0.703 0.789 606 HB ILE 84 HB ILE 84 3.990 -1.633 1.744 607 HG12 ILE 84 2HG1 ILE 84 3.417 1.261 1.559 608 HG13 ILE 84 1HG1 ILE 84 2.606 0.419 2.873 609 HG21 ILE 84 1HG2 ILE 84 4.852 -0.917 -0.200 610 HG22 ILE 84 2HG2 ILE 84 3.781 0.482 -0.281 611 HG23 ILE 84 3HG2 ILE 84 3.205 -1.102 -0.800 612 HD11 ILE 84 3HD1 ILE 84 5.498 -0.083 2.522 613 HD12 ILE 84 1HD1 ILE 84 4.533 0.034 3.994 614 HD13 ILE 84 2HD1 ILE 84 5.009 1.497 3.132 615 H VAL 85 H VAL 85 0.453 -2.052 -0.669 616 HA VAL 85 HA VAL 85 1.319 -4.860 -0.713 617 HB VAL 85 HB VAL 85 -0.995 -3.655 -2.230 618 HG11 VAL 85 1HG1 VAL 85 -0.816 -6.504 -1.378 619 HG12 VAL 85 2HG1 VAL 85 0.127 -5.965 -2.768 620 HG13 VAL 85 3HG1 VAL 85 -1.628 -5.791 -2.770 621 HG21 VAL 85 3HG2 VAL 85 -1.825 -3.292 -0.150 622 HG22 VAL 85 1HG2 VAL 85 -0.786 -4.506 0.598 623 HG23 VAL 85 2HG2 VAL 85 -2.231 -5.003 -0.283 624 H VAL 86 H VAL 86 2.858 -5.382 -2.122 625 HA VAL 86 HA VAL 86 2.935 -3.982 -4.718 626 HB VAL 86 HB VAL 86 5.370 -5.005 -3.253 627 HG11 VAL 86 1HG1 VAL 86 5.296 -4.734 -5.822 628 HG12 VAL 86 2HG1 VAL 86 6.652 -4.041 -4.935 629 HG13 VAL 86 3HG1 VAL 86 5.336 -3.004 -5.485 630 HG21 VAL 86 3HG2 VAL 86 5.701 -2.345 -3.208 631 HG22 VAL 86 1HG2 VAL 86 4.955 -3.245 -1.888 632 HG23 VAL 86 2HG2 VAL 86 3.944 -2.420 -3.075 633 H ASN 87 H ASN 87 2.955 -5.239 -6.482 634 HA ASN 87 HA ASN 87 2.927 -7.069 -7.823 635 HB2 ASN 87 2HB ASN 87 5.265 -7.281 -6.489 636 HB3 ASN 87 1HB ASN 87 4.489 -8.772 -5.965 637 HD21 ASN 87 1HD2 ASN 87 5.176 -10.414 -7.135 638 HD22 ASN 87 2HD2 ASN 87 5.449 -10.404 -8.841 639 H GLY 88 H GLY 88 0.864 -6.722 -5.820 640 HA2 GLY 88 2HA GLY 88 -0.998 -7.848 -5.089 641 HA3 GLY 88 1HA GLY 88 -0.473 -9.189 -6.089 642 H LYS 89 H LYS 89 1.083 -7.690 -3.278 643 HA LYS 89 HA LYS 89 0.386 -9.653 -1.412 644 HB2 LYS 89 2HB LYS 89 2.695 -10.715 -1.221 645 HB3 LYS 89 1HB LYS 89 1.690 -11.250 -2.561 646 HG2 LYS 89 2HG LYS 89 2.950 -10.022 -4.129 647 HG3 LYS 89 1HG LYS 89 3.773 -9.107 -2.864 648 HD2 LYS 89 2HD LYS 89 5.161 -10.864 -2.316 649 HD3 LYS 89 1HD LYS 89 4.035 -12.080 -2.923 650 HE2 LYS 89 2HE LYS 89 4.533 -10.909 -5.226 651 HE3 LYS 89 1HE LYS 89 6.004 -10.398 -4.401 652 HZ1 LYS 89 3HZ LYS 89 6.827 -12.481 -4.390 653 HZ2 LYS 89 1HZ LYS 89 5.789 -12.694 -5.709 654 HZ3 LYS 89 2HZ LYS 89 5.320 -13.218 -4.171 655 H PHE 90 H PHE 90 0.927 -9.004 0.592 656 HA PHE 90 HA PHE 90 1.835 -6.397 1.047 657 HB2 PHE 90 2HB PHE 90 0.424 -7.802 2.599 658 HB3 PHE 90 1HB PHE 90 1.895 -8.644 3.069 659 HD1 PHE 90 2HD PHE 90 0.468 -5.208 2.849 660 HD2 PHE 90 1HD PHE 90 3.121 -7.862 4.858 661 HE1 PHE 90 2HE PHE 90 0.907 -3.486 4.546 662 HE2 PHE 90 1HE PHE 90 3.561 -6.142 6.559 663 HZ PHE 90 HZ PHE 90 2.452 -3.949 6.403 664 H TRP 91 H TRP 91 3.803 -5.808 0.356 665 HA TRP 91 HA TRP 91 6.107 -7.408 1.250 666 HB2 TRP 91 2HB TRP 91 5.436 -6.536 -1.328 667 HB3 TRP 91 1HB TRP 91 6.759 -5.492 -0.817 668 HD1 TRP 91 HD TRP 91 5.971 -9.138 -1.646 669 HE1 TRP 91 1HE TRP 91 8.185 -10.414 -1.949 670 HE3 TRP 91 3HE TRP 91 9.219 -5.508 -0.091 671 HZ2 TRP 91 2HZ TRP 91 10.942 -9.945 -1.580 672 HZ3 TRP 91 3HZ TRP 91 11.629 -6.003 -0.096 673 HH2 TRP 91 HH TRP 91 12.470 -8.177 -0.823 674 H GLY 92 H GLY 92 4.621 -4.244 1.316 675 HA2 GLY 92 2HA GLY 92 7.024 -3.189 2.664 676 HA3 GLY 92 1HA GLY 92 5.841 -2.199 1.836 677 H THR 93 H THR 93 6.951 -2.368 4.666 678 HA THR 93 HA THR 93 4.346 -2.394 6.047 679 HB THR 93 HB THR 93 6.753 -2.731 7.716 680 HG1 THR 93 1HG THR 93 7.460 -4.487 6.845 681 HG21 THR 93 3HG2 THR 93 4.971 -4.842 8.101 682 HG22 THR 93 1HG2 THR 93 3.974 -3.414 7.823 683 HG23 THR 93 2HG2 THR 93 5.184 -3.408 9.107 684 H GLU 94 H GLU 94 4.774 -1.188 8.323 685 HA GLU 94 HA GLU 94 5.124 1.552 7.634 686 HB2 GLU 94 2HB GLU 94 3.540 0.760 9.374 687 HB3 GLU 94 1HB GLU 94 4.906 0.285 10.374 688 HG2 GLU 94 2HG GLU 94 5.108 3.040 9.527 689 HG3 GLU 94 1HG GLU 94 3.602 2.725 10.383 690 H SER 95 H SER 95 7.034 -0.776 9.509 691 HA SER 95 HA SER 95 9.060 1.069 10.259 692 HB2 SER 95 2HB SER 95 8.736 -1.896 10.378 693 HB3 SER 95 1HB SER 95 10.356 -1.226 10.569 694 HG SER 95 HG SER 95 9.057 -1.496 12.540 695 H GLN 96 H GLN 96 8.644 -1.051 7.469 696 HA GLN 96 HA GLN 96 11.230 -1.164 6.503 697 HB2 GLN 96 2HB GLN 96 9.356 -2.382 5.492 698 HB3 GLN 96 1HB GLN 96 8.693 -0.871 4.882 699 HG2 GLN 96 2HG GLN 96 10.124 -0.783 3.158 700 HG3 GLN 96 1HG GLN 96 11.475 -1.397 4.109 701 HE21 GLN 96 1HE2 GLN 96 12.003 -3.512 3.981 702 HE22 GLN 96 2HE2 GLN 96 11.164 -4.667 3.008 703 H LEU 97 H LEU 97 8.928 1.501 6.286 704 HA LEU 97 HA LEU 97 10.307 3.070 4.405 705 HB2 LEU 97 2HB LEU 97 8.633 4.139 6.675 706 HB3 LEU 97 1HB LEU 97 8.949 4.905 5.130 707 HG LEU 97 HG LEU 97 7.376 2.351 5.443 708 HD11 LEU 97 1HD1 LEU 97 6.139 4.062 6.545 709 HD12 LEU 97 2HD1 LEU 97 5.406 3.808 4.961 710 HD13 LEU 97 3HD1 LEU 97 6.445 5.206 5.237 711 HD21 LEU 97 3HD2 LEU 97 6.955 2.438 3.191 712 HD22 LEU 97 1HD2 LEU 97 8.597 3.078 3.236 713 HD23 LEU 97 2HD2 LEU 97 7.228 4.178 3.094 714 H HIS 98 H HIS 98 10.320 3.293 7.975 715 HA HIS 98 HA HIS 98 12.418 5.230 7.999 716 HB2 HIS 98 2HB HIS 98 10.676 3.994 9.939 717 HB3 HIS 98 1HB HIS 98 12.335 4.006 10.530 718 HD1 HIS 98 1HD HIS 98 13.105 6.131 11.568 719 HD2 HIS 98 2HD HIS 98 9.779 6.696 9.141 720 HE1 HIS 98 1HE HIS 98 12.438 8.535 11.889 721 HE2 HIS 98 2HE HIS 98 10.401 8.843 10.441 722 H ARG 99 H ARG 99 12.306 1.719 8.254 723 HA ARG 99 HA ARG 99 14.905 1.291 9.224 724 HB2 ARG 99 2HB ARG 99 12.920 -0.361 7.733 725 HB3 ARG 99 1HB ARG 99 14.574 -0.941 7.833 726 HG2 ARG 99 2HG ARG 99 13.839 -0.150 10.434 727 HG3 ARG 99 1HG ARG 99 12.492 -1.083 9.779 728 HD2 ARG 99 2HD ARG 99 15.379 -1.958 9.885 729 HD3 ARG 99 1HD ARG 99 14.089 -2.521 10.943 730 HE ARG 99 HE ARG 99 14.620 -3.370 8.249 731 HH11 ARG 99 1HH1 ARG 99 12.161 -3.103 10.727 732 HH12 ARG 99 2HH1 ARG 99 11.188 -4.376 10.073 733 HH21 ARG 99 1HH2 ARG 99 13.330 -5.051 7.391 734 HH22 ARG 99 2HH2 ARG 99 11.851 -5.481 8.180 735 H PHE 100 H PHE 100 13.687 1.606 5.919 736 HA PHE 100 HA PHE 100 16.264 1.135 4.731 737 HB2 PHE 100 2HB PHE 100 13.548 1.855 3.722 738 HB3 PHE 100 1HB PHE 100 14.933 2.163 2.681 739 HD1 PHE 100 2HD PHE 100 14.098 -0.636 5.006 740 HD2 PHE 100 1HD PHE 100 15.014 0.570 1.027 741 HE1 PHE 100 2HE PHE 100 14.101 -2.991 4.296 742 HE2 PHE 100 1HE PHE 100 15.016 -1.783 0.313 743 HZ PHE 100 HZ PHE 100 14.560 -3.567 1.947 744 H GLU 101 H GLU 101 14.249 4.016 5.314 745 HA GLU 101 HA GLU 101 15.933 5.870 4.045 746 HB2 GLU 101 2HB GLU 101 13.501 6.032 5.229 747 HB3 GLU 101 1HB GLU 101 14.503 6.799 6.454 748 HG2 GLU 101 2HG GLU 101 14.488 7.602 3.559 749 HG3 GLU 101 1HG GLU 101 13.494 8.355 4.803 750 H ALA 102 H ALA 102 15.824 4.693 7.364 751 HA ALA 102 HA ALA 102 17.658 6.364 8.585 752 HB1 ALA 102 1HB ALA 102 18.164 4.213 9.985 753 HB2 ALA 102 2HB ALA 102 16.821 3.540 9.059 754 HB3 ALA 102 3HB ALA 102 16.572 4.970 10.060 755 H LYS 103 H LYS 103 18.288 3.374 6.758 756 HA LYS 103 HA LYS 103 21.138 3.638 7.117 757 HB2 LYS 103 2HB LYS 103 21.209 1.640 5.602 758 HB3 LYS 103 1HB LYS 103 20.329 1.411 7.097 759 HG2 LYS 103 2HG LYS 103 18.231 1.585 5.940 760 HG3 LYS 103 1HG LYS 103 19.057 1.991 4.433 761 HD2 LYS 103 2HD LYS 103 19.589 -0.150 4.006 762 HD3 LYS 103 1HD LYS 103 19.977 -0.493 5.693 763 HE2 LYS 103 2HE LYS 103 17.449 -0.443 6.090 764 HE3 LYS 103 1HE LYS 103 17.298 -0.538 4.336 765 HZ1 LYS 103 3HZ LYS 103 18.816 -2.558 4.543 766 HZ2 LYS 103 1HZ LYS 103 17.210 -2.734 5.047 767 HZ3 LYS 103 2HZ LYS 103 18.439 -2.533 6.193 768 H GLY 104 H GLY 104 18.769 4.129 4.557 769 HA2 GLY 104 2HA GLY 104 19.129 5.931 2.984 770 HA3 GLY 104 1HA GLY 104 20.842 5.558 3.022 771 H THR 105 H THR 105 18.231 3.189 2.735 772 HA THR 105 HA THR 105 19.206 2.584 0.017 773 HB THR 105 HB THR 105 18.364 0.251 0.451 774 HG1 THR 105 1HG THR 105 17.363 -0.134 2.234 775 HG21 THR 105 3HG2 THR 105 20.188 -0.398 2.032 776 HG22 THR 105 1HG2 THR 105 20.552 1.317 2.211 777 HG23 THR 105 2HG2 THR 105 20.705 0.544 0.634 778 H LEU 106 H LEU 106 16.918 4.361 1.081 779 HA LEU 106 HA LEU 106 14.465 3.185 0.345 780 HB2 LEU 106 2HB LEU 106 15.168 5.513 1.533 781 HB3 LEU 106 1HB LEU 106 14.780 6.098 -0.072 782 HG LEU 106 HG LEU 106 12.851 6.316 1.362 783 HD11 LEU 106 1HD1 LEU 106 12.521 4.075 -0.625 784 HD12 LEU 106 2HD1 LEU 106 12.394 5.803 -0.953 785 HD13 LEU 106 3HD1 LEU 106 11.206 5.010 0.082 786 HD21 LEU 106 3HD2 LEU 106 13.541 3.538 2.100 787 HD22 LEU 106 1HD2 LEU 106 11.825 3.928 1.996 788 HD23 LEU 106 2HD2 LEU 106 12.874 4.844 3.078 789 H GLU 107 H GLU 107 16.634 5.363 -1.479 790 HA GLU 107 HA GLU 107 15.117 5.285 -3.870 791 HB2 GLU 107 2HB GLU 107 17.380 6.658 -2.962 792 HB3 GLU 107 1HB GLU 107 17.944 5.728 -4.344 793 HG2 GLU 107 2HG GLU 107 16.551 6.824 -5.821 794 HG3 GLU 107 1HG GLU 107 15.435 7.331 -4.555 795 H GLU 108 H GLU 108 17.809 3.349 -2.671 796 HA GLU 108 HA GLU 108 18.354 1.926 -5.038 797 HB2 GLU 108 2HB GLU 108 19.837 2.020 -3.039 798 HB3 GLU 108 1HB GLU 108 18.707 0.974 -2.190 799 HG2 GLU 108 2HG GLU 108 19.084 -0.736 -3.974 800 HG3 GLU 108 1HG GLU 108 20.360 0.301 -4.610 801 H GLU 109 H GLU 109 16.094 1.322 -2.378 802 HA GLU 109 HA GLU 109 15.282 -1.260 -3.082 803 HB2 GLU 109 2HB GLU 109 14.714 0.004 -0.961 804 HB3 GLU 109 1HB GLU 109 13.477 0.844 -1.885 805 HG2 GLU 109 2HG GLU 109 13.340 -2.055 -2.155 806 HG3 GLU 109 1HG GLU 109 13.147 -1.499 -0.495 807 H LEU 110 H LEU 110 13.883 1.883 -4.019 808 HA LEU 110 HA LEU 110 11.803 0.896 -5.611 809 HB2 LEU 110 2HB LEU 110 13.245 3.486 -5.390 810 HB3 LEU 110 1HB LEU 110 12.294 3.224 -6.839 811 HG LEU 110 HG LEU 110 10.967 4.433 -5.244 812 HD11 LEU 110 1HD1 LEU 110 10.103 2.271 -6.558 813 HD12 LEU 110 2HD1 LEU 110 9.060 3.259 -5.535 814 HD13 LEU 110 3HD1 LEU 110 9.751 1.764 -4.905 815 HD21 LEU 110 3HD2 LEU 110 10.827 2.289 -3.238 816 HD22 LEU 110 1HD2 LEU 110 10.870 4.039 -3.033 817 HD23 LEU 110 2HD2 LEU 110 12.364 3.148 -3.313 818 H THR 111 H THR 111 15.204 1.335 -6.296 819 HA THR 111 HA THR 111 14.937 0.992 -9.137 820 HB THR 111 HB THR 111 17.394 0.843 -7.375 821 HG1 THR 111 1HG THR 111 16.648 2.889 -7.236 822 HG21 THR 111 3HG2 THR 111 18.365 0.066 -9.235 823 HG22 THR 111 1HG2 THR 111 18.269 1.745 -9.765 824 HG23 THR 111 2HG2 THR 111 17.040 0.588 -10.274 825 H LYS 112 H LYS 112 15.610 -1.066 -6.364 826 HA LYS 112 HA LYS 112 16.561 -3.342 -7.686 827 HB2 LYS 112 2HB LYS 112 16.533 -2.905 -5.190 828 HB3 LYS 112 1HB LYS 112 14.839 -3.369 -5.205 829 HG2 LYS 112 2HG LYS 112 16.552 -5.330 -6.503 830 HG3 LYS 112 1HG LYS 112 16.984 -5.044 -4.816 831 HD2 LYS 112 2HD LYS 112 15.354 -6.489 -4.313 832 HD3 LYS 112 1HD LYS 112 14.237 -5.189 -4.730 833 HE2 LYS 112 2HE LYS 112 14.883 -6.305 -7.175 834 HE3 LYS 112 1HE LYS 112 14.783 -7.698 -6.101 835 HZ1 LYS 112 3HZ LYS 112 12.571 -7.378 -5.737 836 HZ2 LYS 112 1HZ LYS 112 12.673 -6.747 -7.304 837 HZ3 LYS 112 2HZ LYS 112 12.639 -5.703 -5.974 838 H ILE 113 H ILE 113 13.230 -2.438 -6.815 839 HA ILE 113 HA ILE 113 12.001 -4.767 -7.829 840 HB ILE 113 HB ILE 113 9.896 -3.461 -7.832 841 HG12 ILE 113 2HG1 ILE 113 11.683 -1.174 -6.969 842 HG13 ILE 113 1HG1 ILE 113 10.819 -1.282 -8.498 843 HG21 ILE 113 1HG2 ILE 113 11.663 -3.365 -5.404 844 HG22 ILE 113 2HG2 ILE 113 10.419 -4.546 -5.812 845 HG23 ILE 113 3HG2 ILE 113 9.961 -2.905 -5.358 846 HD11 ILE 113 3HD1 ILE 113 9.651 0.186 -7.004 847 HD12 ILE 113 1HD1 ILE 113 9.604 -1.060 -5.758 848 HD13 ILE 113 2HD1 ILE 113 8.693 -1.275 -7.251 849 H GLY 114 H GLY 114 13.130 -1.874 -9.393 850 HA2 GLY 114 2HA GLY 114 13.590 -1.914 -11.747 851 HA3 GLY 114 1HA GLY 114 12.206 -2.974 -11.961 852 H LEU 115 H LEU 115 11.945 -0.191 -9.876 853 HA LEU 115 HA LEU 115 9.808 0.873 -11.458 854 HB2 LEU 115 2HB LEU 115 10.267 0.990 -8.864 855 HB3 LEU 115 1HB LEU 115 11.130 2.452 -9.292 856 HG LEU 115 HG LEU 115 8.487 2.372 -10.500 857 HD11 LEU 115 1HD1 LEU 115 8.318 1.078 -8.213 858 HD12 LEU 115 2HD1 LEU 115 7.098 2.259 -8.690 859 HD13 LEU 115 3HD1 LEU 115 8.364 2.711 -7.547 860 HD21 LEU 115 3HD2 LEU 115 9.981 4.263 -8.696 861 HD22 LEU 115 1HD2 LEU 115 8.367 4.590 -9.330 862 HD23 LEU 115 2HD2 LEU 115 9.727 4.397 -10.436 863 H LEU 116 H LEU 116 13.119 1.908 -10.719 864 HA LEU 116 HA LEU 116 12.947 4.197 -12.464 865 HB2 LEU 116 2HB LEU 116 14.722 3.260 -10.420 866 HB3 LEU 116 1HB LEU 116 15.655 3.607 -11.863 867 HG LEU 116 HG LEU 116 14.810 5.890 -11.906 868 HD11 LEU 116 1HD1 LEU 116 12.624 5.735 -11.071 869 HD12 LEU 116 2HD1 LEU 116 13.507 6.667 -9.862 870 HD13 LEU 116 3HD1 LEU 116 13.158 4.963 -9.577 871 HD21 LEU 116 3HD2 LEU 116 16.805 5.696 -10.689 872 HD22 LEU 116 1HD2 LEU 116 16.002 4.915 -9.327 873 HD23 LEU 116 2HD2 LEU 116 15.736 6.630 -9.642 874 HA PRO 117 HA PRO 117 15.837 1.640 -15.295 875 HB2 PRO 117 2HB PRO 117 16.550 -0.872 -14.625 876 HB3 PRO 117 1HB PRO 117 17.419 0.544 -14.023 877 HG2 PRO 117 2HG PRO 117 15.365 -1.144 -12.658 878 HG3 PRO 117 1HG PRO 117 16.863 -0.457 -12.006 879 HD2 PRO 117 2HD PRO 117 14.382 0.633 -11.604 880 HD3 PRO 117 1HD PRO 117 15.888 1.570 -11.580 Start of MODEL 4 1 H MET 9 1HT MET 9 -17.244 -16.711 1.529 2 HA MET 9 HA MET 9 -15.009 -15.651 3.112 3 HB2 MET 9 2HB MET 9 -16.808 -17.526 4.037 4 HB3 MET 9 1HB MET 9 -15.554 -18.522 3.309 5 HG2 MET 9 2HG MET 9 -14.128 -16.661 4.748 6 HG3 MET 9 1HG MET 9 -15.524 -16.984 5.773 7 HE1 MET 9 2HE MET 9 -12.104 -17.866 6.197 8 HE2 MET 9 3HE MET 9 -12.244 -17.956 4.441 9 HE3 MET 9 1HE MET 9 -11.813 -19.394 5.366 10 H SER 10 H SER 10 -15.533 -15.819 0.213 11 HA SER 10 HA SER 10 -13.081 -16.923 -0.635 12 HB2 SER 10 2HB SER 10 -14.147 -18.682 -2.181 13 HB3 SER 10 1HB SER 10 -13.999 -19.106 -0.476 14 HG SER 10 HG SER 10 -16.206 -18.972 -1.973 15 H ALA 11 H ALA 11 -16.418 -16.351 -1.716 16 HA ALA 11 HA ALA 11 -15.869 -15.570 -4.337 17 HB1 ALA 11 1HB ALA 11 -18.112 -14.424 -2.688 18 HB2 ALA 11 2HB ALA 11 -18.135 -16.060 -3.343 19 HB3 ALA 11 3HB ALA 11 -18.061 -14.677 -4.432 20 H PHE 12 H PHE 12 -15.758 -13.699 -1.359 21 HA PHE 12 HA PHE 12 -15.306 -11.204 -2.745 22 HB2 PHE 12 2HB PHE 12 -16.089 -11.970 -0.122 23 HB3 PHE 12 1HB PHE 12 -14.600 -11.045 0.027 24 HD1 PHE 12 1HD PHE 12 -14.775 -9.002 -1.975 25 HD2 PHE 12 2HD PHE 12 -17.866 -10.647 0.445 26 HE1 PHE 12 1HE PHE 12 -16.056 -6.912 -2.192 27 HE2 PHE 12 2HE PHE 12 -19.151 -8.562 0.231 28 HZ PHE 12 HZ PHE 12 -18.246 -6.689 -1.089 29 H VAL 13 H VAL 13 -13.393 -13.596 -0.979 30 HA VAL 13 HA VAL 13 -10.988 -12.178 -0.829 31 HB VAL 13 HB VAL 13 -11.202 -15.174 -1.167 32 HG11 VAL 13 1HG1 VAL 13 -8.963 -13.672 -1.119 33 HG12 VAL 13 2HG1 VAL 13 -9.051 -15.322 -0.500 34 HG13 VAL 13 3HG1 VAL 13 -9.186 -13.955 0.606 35 HG21 VAL 13 3HG2 VAL 13 -12.665 -14.753 0.607 36 HG22 VAL 13 1HG2 VAL 13 -11.672 -13.437 1.237 37 HG23 VAL 13 2HG2 VAL 13 -11.131 -15.108 1.401 38 H THR 14 H THR 14 -12.076 -14.522 -3.300 39 HA THR 14 HA THR 14 -9.819 -14.318 -4.957 40 HB THR 14 HB THR 14 -12.630 -14.857 -5.925 41 HG1 THR 14 1HG THR 14 -12.435 -16.896 -5.211 42 HG21 THR 14 3HG2 THR 14 -10.195 -16.291 -6.860 43 HG22 THR 14 1HG2 THR 14 -10.572 -14.695 -7.510 44 HG23 THR 14 2HG2 THR 14 -11.731 -16.014 -7.683 45 H LYS 15 H LYS 15 -12.743 -12.352 -4.743 46 HA LYS 15 HA LYS 15 -12.508 -10.909 -7.121 47 HB2 LYS 15 2HB LYS 15 -13.993 -10.663 -4.649 48 HB3 LYS 15 1HB LYS 15 -13.460 -9.085 -5.215 49 HG2 LYS 15 2HG LYS 15 -14.410 -9.898 -7.505 50 HG3 LYS 15 1HG LYS 15 -15.316 -11.030 -6.501 51 HD2 LYS 15 2HD LYS 15 -15.349 -8.232 -5.579 52 HD3 LYS 15 1HD LYS 15 -16.152 -8.527 -7.124 53 HE2 LYS 15 2HE LYS 15 -17.124 -10.587 -5.680 54 HE3 LYS 15 1HE LYS 15 -16.890 -9.395 -4.401 55 HZ1 LYS 15 3HZ LYS 15 -18.735 -9.355 -6.669 56 HZ2 LYS 15 1HZ LYS 15 -18.100 -7.871 -6.161 57 HZ3 LYS 15 2HZ LYS 15 -18.969 -8.834 -5.078 58 H ALA 16 H ALA 16 -11.036 -10.340 -3.955 59 HA ALA 16 HA ALA 16 -9.807 -7.873 -4.559 60 HB1 ALA 16 1HB ALA 16 -8.402 -8.288 -2.608 61 HB2 ALA 16 2HB ALA 16 -8.926 -9.973 -2.577 62 HB3 ALA 16 3HB ALA 16 -10.087 -8.683 -2.265 63 H GLU 17 H GLU 17 -8.769 -11.222 -4.988 64 HA GLU 17 HA GLU 17 -6.091 -10.705 -5.695 65 HB2 GLU 17 2HB GLU 17 -7.775 -12.979 -5.506 66 HB3 GLU 17 1HB GLU 17 -7.072 -12.988 -7.119 67 HG2 GLU 17 2HG GLU 17 -5.229 -12.435 -4.882 68 HG3 GLU 17 1HG GLU 17 -5.881 -14.069 -4.989 69 H GLU 18 H GLU 18 -9.067 -10.720 -7.580 70 HA GLU 18 HA GLU 18 -7.867 -10.638 -10.139 71 HB2 GLU 18 2HB GLU 18 -10.526 -9.415 -9.403 72 HB3 GLU 18 1HB GLU 18 -10.015 -10.001 -10.979 73 HG2 GLU 18 2HG GLU 18 -9.750 -12.228 -9.399 74 HG3 GLU 18 1HG GLU 18 -11.177 -11.440 -8.730 75 H MET 19 H MET 19 -8.799 -8.112 -7.842 76 HA MET 19 HA MET 19 -8.353 -5.906 -9.545 77 HB2 MET 19 2HB MET 19 -8.947 -6.335 -6.744 78 HB3 MET 19 1HB MET 19 -7.760 -5.053 -6.942 79 HG2 MET 19 2HG MET 19 -9.417 -4.179 -8.752 80 HG3 MET 19 1HG MET 19 -10.580 -5.184 -7.892 81 HE1 MET 19 3HE MET 19 -8.332 -1.573 -6.144 82 HE2 MET 19 1HE MET 19 -7.968 -2.405 -7.657 83 HE3 MET 19 2HE MET 19 -7.551 -3.153 -6.114 84 H ILE 20 H ILE 20 -6.224 -7.565 -7.226 85 HA ILE 20 HA ILE 20 -4.008 -5.843 -7.693 86 HB ILE 20 HB ILE 20 -2.705 -7.554 -6.470 87 HG12 ILE 20 2HG1 ILE 20 -5.323 -9.013 -6.129 88 HG13 ILE 20 1HG1 ILE 20 -4.081 -9.512 -7.273 89 HG21 ILE 20 1HG2 ILE 20 -3.710 -5.807 -5.202 90 HG22 ILE 20 2HG2 ILE 20 -3.928 -7.313 -4.312 91 HG23 ILE 20 3HG2 ILE 20 -5.274 -6.625 -5.220 92 HD11 ILE 20 3HD1 ILE 20 -4.212 -9.823 -4.364 93 HD12 ILE 20 1HD1 ILE 20 -2.638 -9.339 -4.995 94 HD13 ILE 20 2HD1 ILE 20 -3.407 -10.813 -5.582 95 H LYS 21 H LYS 21 -5.363 -8.421 -9.463 96 HA LYS 21 HA LYS 21 -3.092 -9.621 -10.579 97 HB2 LYS 21 2HB LYS 21 -5.777 -10.016 -10.782 98 HB3 LYS 21 1HB LYS 21 -5.424 -9.313 -12.357 99 HG2 LYS 21 2HG LYS 21 -3.603 -11.053 -12.581 100 HG3 LYS 21 1HG LYS 21 -4.295 -11.823 -11.151 101 HD2 LYS 21 2HD LYS 21 -6.505 -11.427 -12.721 102 HD3 LYS 21 1HD LYS 21 -5.259 -11.774 -13.921 103 HE2 LYS 21 2HE LYS 21 -6.170 -13.495 -11.625 104 HE3 LYS 21 1HE LYS 21 -6.237 -13.853 -13.349 105 HZ1 LYS 21 3HZ LYS 21 -3.632 -13.544 -13.069 106 HZ2 LYS 21 1HZ LYS 21 -4.397 -15.031 -12.814 107 HZ3 LYS 21 2HZ LYS 21 -3.992 -14.051 -11.496 108 H SER 22 H SER 22 -5.212 -7.153 -12.070 109 HA SER 22 HA SER 22 -3.176 -6.493 -14.020 110 HB2 SER 22 2HB SER 22 -6.013 -5.613 -13.560 111 HB3 SER 22 1HB SER 22 -4.962 -4.693 -14.636 112 HG SER 22 HG SER 22 -5.505 -7.473 -14.865 113 H HIS 23 H HIS 23 -4.137 -5.420 -10.910 114 HA HIS 23 HA HIS 23 -2.442 -3.032 -11.218 115 HB2 HIS 23 2HB HIS 23 -4.836 -3.328 -9.390 116 HB3 HIS 23 1HB HIS 23 -3.805 -1.908 -9.516 117 HD1 HIS 23 1HD HIS 23 -3.664 -1.487 -12.509 118 HD2 HIS 23 2HD HIS 23 -7.160 -2.549 -10.527 119 HE1 HIS 23 1HE HIS 23 -5.539 -0.731 -14.003 120 HE2 HIS 23 2HE HIS 23 -7.645 -1.440 -12.814 121 HA PRO 24 HA PRO 24 -0.734 -6.050 -8.029 122 HB2 PRO 24 2HB PRO 24 1.820 -5.979 -9.008 123 HB3 PRO 24 1HB PRO 24 0.605 -7.158 -9.511 124 HG2 PRO 24 2HG PRO 24 1.472 -4.632 -10.863 125 HG3 PRO 24 1HG PRO 24 1.125 -6.220 -11.571 126 HD2 PRO 24 2HD PRO 24 -0.647 -4.196 -11.678 127 HD3 PRO 24 1HD PRO 24 -1.158 -5.887 -11.518 128 H TYR 25 H TYR 25 0.199 -2.906 -9.254 129 HA TYR 25 HA TYR 25 1.808 -2.345 -6.885 130 HB2 TYR 25 2HB TYR 25 1.455 -1.073 -9.559 131 HB3 TYR 25 1HB TYR 25 1.933 -0.040 -8.218 132 HD1 TYR 25 1HD TYR 25 3.969 -0.923 -6.800 133 HD2 TYR 25 2HD TYR 25 3.104 -2.149 -10.783 134 HE1 TYR 25 1HE TYR 25 6.308 -1.622 -7.087 135 HE2 TYR 25 2HE TYR 25 5.442 -2.852 -11.080 136 HH TYR 25 HH TYR 25 7.693 -2.252 -10.051 137 H PHE 26 H PHE 26 -0.215 -2.594 -5.583 138 HA PHE 26 HA PHE 26 -1.802 -0.115 -5.599 139 HB2 PHE 26 2HB PHE 26 -2.840 -2.545 -5.906 140 HB3 PHE 26 1HB PHE 26 -2.768 -2.531 -4.147 141 HD1 PHE 26 2HD PHE 26 -3.894 -0.601 -2.926 142 HD2 PHE 26 1HD PHE 26 -4.573 -1.474 -7.037 143 HE1 PHE 26 2HE PHE 26 -5.984 0.693 -2.852 144 HE2 PHE 26 1HE PHE 26 -6.663 -0.177 -6.969 145 HZ PHE 26 HZ PHE 26 -7.372 0.907 -4.876 146 H GLN 27 H GLN 27 -2.015 1.073 -3.753 147 HA GLN 27 HA GLN 27 -0.641 0.092 -1.341 148 HB2 GLN 27 2HB GLN 27 -0.086 2.470 -2.942 149 HB3 GLN 27 1HB GLN 27 -0.369 2.849 -1.248 150 HG2 GLN 27 2HG GLN 27 1.339 0.600 -1.331 151 HG3 GLN 27 1HG GLN 27 1.960 1.782 -2.482 152 HE21 GLN 27 1HE2 GLN 27 3.336 3.193 -1.666 153 HE22 GLN 27 2HE2 GLN 27 3.401 3.720 -0.022 154 H LEU 28 H LEU 28 -1.714 0.347 0.542 155 HA LEU 28 HA LEU 28 -4.303 1.746 0.434 156 HB2 LEU 28 2HB LEU 28 -3.348 -0.708 1.810 157 HB3 LEU 28 1HB LEU 28 -4.530 0.271 2.657 158 HG LEU 28 HG LEU 28 -5.624 0.056 0.135 159 HD11 LEU 28 1HD1 LEU 28 -5.561 -2.597 0.053 160 HD12 LEU 28 2HD1 LEU 28 -3.947 -2.320 0.706 161 HD13 LEU 28 3HD1 LEU 28 -4.412 -1.599 -0.835 162 HD21 LEU 28 3HD2 LEU 28 -6.344 -2.025 2.110 163 HD22 LEU 28 1HD2 LEU 28 -7.364 -0.880 1.238 164 HD23 LEU 28 2HD2 LEU 28 -6.442 -0.348 2.644 165 H SER 29 H SER 29 -4.615 3.509 1.646 166 HA SER 29 HA SER 29 -2.670 4.079 3.788 167 HB2 SER 29 2HB SER 29 -3.965 5.880 1.760 168 HB3 SER 29 1HB SER 29 -3.366 6.534 3.283 169 HG SER 29 HG SER 29 -1.330 6.026 2.721 170 H ALA 30 H ALA 30 -3.428 5.217 5.653 171 HA ALA 30 HA ALA 30 -5.957 4.309 6.588 172 HB1 ALA 30 1HB ALA 30 -5.054 6.292 8.342 173 HB2 ALA 30 2HB ALA 30 -3.604 5.518 7.706 174 HB3 ALA 30 3HB ALA 30 -4.847 4.547 8.493 175 H SER 31 H SER 31 -4.741 7.489 5.592 176 HA SER 31 HA SER 31 -5.794 9.401 4.964 177 HB2 SER 31 2HB SER 31 -8.352 7.784 4.923 178 HB3 SER 31 1HB SER 31 -8.042 9.303 4.085 179 HG SER 31 HG SER 31 -6.850 6.781 3.583 180 H TRP 32 H TRP 32 -5.456 8.762 7.750 181 HA TRP 32 HA TRP 32 -7.156 10.779 8.867 182 HB2 TRP 32 2HB TRP 32 -8.242 9.487 10.564 183 HB3 TRP 32 1HB TRP 32 -8.588 8.724 9.020 184 HD1 TRP 32 HD TRP 32 -7.669 6.267 8.637 185 HE1 TRP 32 1HE TRP 32 -6.641 4.513 10.218 186 HE3 TRP 32 3HE TRP 32 -6.720 9.261 12.669 187 HZ2 TRP 32 2HZ TRP 32 -5.574 4.411 12.831 188 HZ3 TRP 32 3HZ TRP 32 -5.696 8.260 14.669 189 HH2 TRP 32 HH TRP 32 -5.136 5.885 14.747 190 H CYS 33 H CYS 33 -4.766 8.223 9.469 191 HA CYS 33 HA CYS 33 -3.660 9.787 11.680 192 HB2 CYS 33 2HB CYS 33 -2.333 7.807 12.199 193 HB3 CYS 33 1HB CYS 33 -4.030 7.377 12.051 194 HG CYS 33 HG CYS 33 -2.734 6.812 9.439 195 HA PRO 34 HA PRO 34 -0.349 11.604 9.391 196 HB2 PRO 34 2HB PRO 34 1.377 10.748 11.660 197 HB3 PRO 34 1HB PRO 34 1.169 12.352 10.949 198 HG2 PRO 34 2HG PRO 34 0.057 11.780 13.284 199 HG3 PRO 34 1HG PRO 34 -0.829 12.736 12.078 200 HD2 PRO 34 2HD PRO 34 -1.142 9.849 12.810 201 HD3 PRO 34 1HD PRO 34 -2.386 11.058 12.431 202 H ASP 35 H ASP 35 -0.148 8.336 10.586 203 HA ASP 35 HA ASP 35 2.279 7.451 9.633 204 HB2 ASP 35 2HB ASP 35 0.170 6.240 10.818 205 HB3 ASP 35 1HB ASP 35 -0.015 5.628 9.178 206 H CYS 36 H CYS 36 -0.750 7.903 7.858 207 HA CYS 36 HA CYS 36 0.272 6.811 5.412 208 HB2 CYS 36 2HB CYS 36 -1.805 7.487 4.421 209 HB3 CYS 36 1HB CYS 36 -2.157 6.841 6.018 210 HG CYS 36 HG CYS 36 -3.389 9.195 5.346 211 H VAL 37 H VAL 37 -0.061 10.040 6.777 212 HA VAL 37 HA VAL 37 0.501 11.533 4.477 213 HB VAL 37 HB VAL 37 1.286 12.315 7.286 214 HG11 VAL 37 1HG1 VAL 37 1.126 14.569 6.504 215 HG12 VAL 37 2HG1 VAL 37 0.478 14.042 4.952 216 HG13 VAL 37 3HG1 VAL 37 2.151 13.682 5.378 217 HG21 VAL 37 3HG2 VAL 37 -0.999 11.713 7.448 218 HG22 VAL 37 1HG2 VAL 37 -1.385 12.460 5.897 219 HG23 VAL 37 2HG2 VAL 37 -0.973 13.468 7.284 220 H TYR 38 H TYR 38 2.660 9.927 6.768 221 HA TYR 38 HA TYR 38 5.074 11.135 6.025 222 HB2 TYR 38 2HB TYR 38 4.860 9.667 7.987 223 HB3 TYR 38 1HB TYR 38 4.615 8.282 6.930 224 HD1 TYR 38 2HD TYR 38 7.076 10.738 8.145 225 HD2 TYR 38 1HD TYR 38 6.476 7.226 5.816 226 HE1 TYR 38 2HE TYR 38 9.505 10.366 8.090 227 HE2 TYR 38 1HE TYR 38 8.905 6.846 5.756 228 HH TYR 38 HH TYR 38 11.142 9.105 6.436 229 H ALA 39 H ALA 39 3.618 8.110 4.801 230 HA ALA 39 HA ALA 39 5.575 7.579 2.855 231 HB1 ALA 39 1HB ALA 39 3.481 6.344 1.771 232 HB2 ALA 39 2HB ALA 39 2.819 6.627 3.381 233 HB3 ALA 39 3HB ALA 39 4.318 5.719 3.193 234 H ASN 40 H ASN 40 2.690 9.596 2.757 235 HA ASN 40 HA ASN 40 2.737 9.986 -0.076 236 HB2 ASN 40 2HB ASN 40 1.185 11.075 2.213 237 HB3 ASN 40 1HB ASN 40 1.273 12.068 0.760 238 HD21 ASN 40 1HD2 ASN 40 -0.573 11.846 -0.279 239 HD22 ASN 40 2HD2 ASN 40 -1.360 10.349 -0.633 240 H SER 41 H SER 41 4.208 11.543 2.683 241 HA SER 41 HA SER 41 4.845 14.000 1.470 242 HB2 SER 41 2HB SER 41 4.920 13.599 3.919 243 HB3 SER 41 1HB SER 41 6.339 12.578 3.686 244 HG SER 41 HG SER 41 6.120 15.346 3.090 245 H ILE 42 H ILE 42 6.743 11.015 1.866 246 HA ILE 42 HA ILE 42 9.039 11.945 0.505 247 HB ILE 42 HB ILE 42 8.153 9.065 0.717 248 HG12 ILE 42 2HG1 ILE 42 8.096 10.085 2.940 249 HG13 ILE 42 1HG1 ILE 42 9.458 8.981 2.810 250 HG21 ILE 42 1HG2 ILE 42 10.201 10.018 -0.712 251 HG22 ILE 42 2HG2 ILE 42 10.253 8.461 0.113 252 HG23 ILE 42 3HG2 ILE 42 10.996 9.876 0.855 253 HD11 ILE 42 3HD1 ILE 42 10.320 10.826 3.926 254 HD12 ILE 42 1HD1 ILE 42 9.468 11.970 2.888 255 HD13 ILE 42 2HD1 ILE 42 10.842 11.061 2.258 256 H TRP 43 H TRP 43 6.166 10.175 -0.573 257 HA TRP 43 HA TRP 43 7.033 9.721 -3.226 258 HB2 TRP 43 2HB TRP 43 4.374 9.679 -1.843 259 HB3 TRP 43 1HB TRP 43 4.440 9.577 -3.600 260 HD1 TRP 43 HD TRP 43 6.646 7.825 -0.927 261 HE1 TRP 43 1HE TRP 43 6.600 5.297 -1.392 262 HE3 TRP 43 3HE TRP 43 3.394 7.777 -4.880 263 HZ2 TRP 43 2HZ TRP 43 5.358 3.517 -3.190 264 HZ3 TRP 43 3HZ TRP 43 2.833 5.615 -5.912 265 HH2 TRP 43 HH TRP 43 3.796 3.531 -5.083 266 H ASN 44 H ASN 44 5.306 12.390 -1.688 267 HA ASN 44 HA ASN 44 4.531 13.764 -4.018 268 HB2 ASN 44 2HB ASN 44 3.693 14.222 -1.695 269 HB3 ASN 44 1HB ASN 44 5.233 15.001 -1.346 270 HD21 ASN 44 1HD2 ASN 44 2.245 15.211 -3.115 271 HD22 ASN 44 2HD2 ASN 44 2.384 16.878 -3.546 272 H LYS 45 H LYS 45 7.524 13.794 -2.152 273 HA LYS 45 HA LYS 45 8.672 15.926 -3.731 274 HB2 LYS 45 2HB LYS 45 9.134 15.484 -1.257 275 HB3 LYS 45 1HB LYS 45 10.137 14.143 -1.793 276 HG2 LYS 45 2HG LYS 45 11.472 15.763 -3.135 277 HG3 LYS 45 1HG LYS 45 10.530 17.066 -2.405 278 HD2 LYS 45 2HD LYS 45 12.050 15.042 -0.770 279 HD3 LYS 45 1HD LYS 45 12.776 16.547 -1.335 280 HE2 LYS 45 2HE LYS 45 10.171 16.683 0.100 281 HE3 LYS 45 1HE LYS 45 11.627 16.363 1.040 282 HZ1 LYS 45 3HZ LYS 45 10.772 18.804 0.501 283 HZ2 LYS 45 1HZ LYS 45 11.759 18.576 -0.854 284 HZ3 LYS 45 2HZ LYS 45 12.411 18.441 0.701 285 H LEU 46 H LEU 46 8.773 12.407 -3.650 286 HA LEU 46 HA LEU 46 11.039 12.239 -5.415 287 HB2 LEU 46 2HB LEU 46 9.148 10.249 -4.224 288 HB3 LEU 46 1HB LEU 46 10.188 9.773 -5.551 289 HG LEU 46 HG LEU 46 11.275 10.975 -3.013 290 HD11 LEU 46 1HD1 LEU 46 9.884 8.763 -2.833 291 HD12 LEU 46 2HD1 LEU 46 11.438 8.914 -2.015 292 HD13 LEU 46 3HD1 LEU 46 11.328 8.043 -3.544 293 HD21 LEU 46 3HD2 LEU 46 12.728 11.005 -5.008 294 HD22 LEU 46 1HD2 LEU 46 12.549 9.255 -5.143 295 HD23 LEU 46 2HD2 LEU 46 13.352 9.954 -3.737 296 H ASN 47 H ASN 47 7.783 12.948 -5.948 297 HA ASN 47 HA ASN 47 6.400 12.896 -7.757 298 HB2 ASN 47 2HB ASN 47 8.215 14.464 -8.457 299 HB3 ASN 47 1HB ASN 47 9.014 13.117 -9.257 300 HD21 ASN 47 1HD2 ASN 47 5.685 14.376 -9.101 301 HD22 ASN 47 2HD2 ASN 47 5.440 14.399 -10.809 302 H VAL 48 H VAL 48 6.814 10.342 -6.827 303 HA VAL 48 HA VAL 48 7.004 8.763 -9.313 304 HB VAL 48 HB VAL 48 7.670 6.820 -7.927 305 HG11 VAL 48 1HG1 VAL 48 9.260 8.634 -8.984 306 HG12 VAL 48 2HG1 VAL 48 9.896 7.317 -7.999 307 HG13 VAL 48 3HG1 VAL 48 9.677 8.918 -7.294 308 HG21 VAL 48 3HG2 VAL 48 7.246 6.920 -5.742 309 HG22 VAL 48 1HG2 VAL 48 7.108 8.677 -5.764 310 HG23 VAL 48 2HG2 VAL 48 8.692 7.920 -5.608 311 H GLN 49 H GLN 49 4.618 10.015 -8.451 312 HA GLN 49 HA GLN 49 2.999 7.836 -7.348 313 HB2 GLN 49 2HB GLN 49 2.976 10.393 -6.615 314 HB3 GLN 49 1HB GLN 49 1.846 10.523 -7.957 315 HG2 GLN 49 2HG GLN 49 0.215 9.419 -6.869 316 HG3 GLN 49 1HG GLN 49 1.337 8.327 -6.062 317 HE21 GLN 49 1HE2 GLN 49 -0.749 10.873 -5.635 318 HE22 GLN 49 2HE2 GLN 49 -0.188 11.432 -4.100 319 H ASP 50 H ASP 50 4.044 7.745 -10.072 320 HA ASP 50 HA ASP 50 1.506 7.756 -11.571 321 HB2 ASP 50 2HB ASP 50 4.270 8.558 -12.403 322 HB3 ASP 50 1HB ASP 50 3.191 7.850 -13.600 323 H LYS 51 H LYS 51 4.708 6.208 -11.350 324 HA LYS 51 HA LYS 51 4.092 3.958 -12.922 325 HB2 LYS 51 2HB LYS 51 6.155 4.429 -10.774 326 HB3 LYS 51 1HB LYS 51 6.051 2.912 -11.659 327 HG2 LYS 51 2HG LYS 51 7.551 3.915 -13.000 328 HG3 LYS 51 1HG LYS 51 6.110 4.631 -13.721 329 HD2 LYS 51 2HD LYS 51 6.764 6.272 -11.543 330 HD3 LYS 51 1HD LYS 51 8.296 5.905 -12.337 331 HE2 LYS 51 2HE LYS 51 6.092 6.583 -14.160 332 HE3 LYS 51 1HE LYS 51 6.587 7.889 -13.087 333 HZ1 LYS 51 3HZ LYS 51 8.739 6.444 -14.410 334 HZ2 LYS 51 1HZ LYS 51 8.566 8.103 -14.116 335 HZ3 LYS 51 2HZ LYS 51 7.758 7.386 -15.416 336 H VAL 52 H VAL 52 3.348 4.730 -9.610 337 HA VAL 52 HA VAL 52 2.258 2.018 -9.219 338 HB VAL 52 HB VAL 52 3.205 3.958 -7.097 339 HG11 VAL 52 1HG1 VAL 52 1.518 2.731 -6.073 340 HG12 VAL 52 2HG1 VAL 52 2.979 1.834 -5.662 341 HG13 VAL 52 3HG1 VAL 52 1.922 1.254 -6.949 342 HG21 VAL 52 3HG2 VAL 52 5.202 2.915 -7.012 343 HG22 VAL 52 1HG2 VAL 52 4.828 2.496 -8.684 344 HG23 VAL 52 2HG2 VAL 52 4.517 1.336 -7.393 345 H PHE 53 H PHE 53 0.213 1.885 -8.074 346 HA PHE 53 HA PHE 53 -1.361 4.358 -8.230 347 HB2 PHE 53 2HB PHE 53 -1.818 1.846 -9.479 348 HB3 PHE 53 1HB PHE 53 -3.046 2.036 -8.233 349 HD1 PHE 53 2HD PHE 53 -3.882 4.699 -8.210 350 HD2 PHE 53 1HD PHE 53 -2.566 2.422 -11.559 351 HE1 PHE 53 2HE PHE 53 -5.175 6.160 -9.710 352 HE2 PHE 53 1HE PHE 53 -3.857 3.879 -13.060 353 HZ PHE 53 HZ PHE 53 -5.165 5.749 -12.138 354 H VAL 54 H VAL 54 -1.672 5.107 -6.287 355 HA VAL 54 HA VAL 54 -2.096 3.253 -4.044 356 HB VAL 54 HB VAL 54 -0.199 4.769 -3.750 357 HG11 VAL 54 1HG1 VAL 54 -1.725 6.653 -5.017 358 HG12 VAL 54 2HG1 VAL 54 -0.227 6.973 -4.146 359 HG13 VAL 54 3HG1 VAL 54 -1.779 7.191 -3.340 360 HG21 VAL 54 3HG2 VAL 54 -2.094 5.899 -1.797 361 HG22 VAL 54 1HG2 VAL 54 -0.573 5.043 -1.545 362 HG23 VAL 54 2HG2 VAL 54 -2.042 4.140 -1.899 363 H PHE 55 H PHE 55 -3.870 3.412 -2.730 364 HA PHE 55 HA PHE 55 -5.912 5.398 -3.474 365 HB2 PHE 55 2HB PHE 55 -6.252 2.900 -4.212 366 HB3 PHE 55 1HB PHE 55 -6.721 2.674 -2.530 367 HD1 PHE 55 2HD PHE 55 -7.362 5.325 -5.088 368 HD2 PHE 55 1HD PHE 55 -8.997 2.564 -2.293 369 HE1 PHE 55 2HE PHE 55 -9.623 6.139 -5.615 370 HE2 PHE 55 1HE PHE 55 -11.261 3.372 -2.816 371 HZ PHE 55 HZ PHE 55 -11.576 5.162 -4.477 372 H ASP 56 H ASP 56 -6.611 6.597 -1.857 373 HA ASP 56 HA ASP 56 -5.800 5.946 0.860 374 HB2 ASP 56 2HB ASP 56 -6.919 8.420 -0.448 375 HB3 ASP 56 1HB ASP 56 -6.740 8.290 1.297 376 H ILE 57 H ILE 57 -7.115 5.132 2.359 377 HA ILE 57 HA ILE 57 -9.882 4.595 1.740 378 HB ILE 57 HB ILE 57 -8.480 4.108 4.372 379 HG12 ILE 57 2HG1 ILE 57 -8.771 2.083 2.157 380 HG13 ILE 57 1HG1 ILE 57 -7.350 3.115 2.282 381 HG21 ILE 57 1HG2 ILE 57 -10.740 3.787 4.744 382 HG22 ILE 57 2HG2 ILE 57 -10.195 2.164 4.324 383 HG23 ILE 57 3HG2 ILE 57 -11.026 3.152 3.123 384 HD11 ILE 57 3HD1 ILE 57 -7.600 2.081 4.817 385 HD12 ILE 57 1HD1 ILE 57 -6.497 1.518 3.560 386 HD13 ILE 57 2HD1 ILE 57 -8.063 0.737 3.773 387 H GLY 58 H GLY 58 -9.993 7.139 1.583 388 HA2 GLY 58 2HA GLY 58 -11.123 8.058 4.149 389 HA3 GLY 58 1HA GLY 58 -10.095 9.109 3.185 390 H SER 59 H SER 59 -12.188 7.025 1.411 391 HA SER 59 HA SER 59 -14.152 9.191 1.080 392 HB2 SER 59 2HB SER 59 -14.217 8.726 -1.342 393 HB3 SER 59 1HB SER 59 -12.614 9.251 -0.826 394 HG SER 59 HG SER 59 -11.837 7.387 -1.418 395 H LEU 60 H LEU 60 -13.887 6.261 2.302 396 HA LEU 60 HA LEU 60 -16.344 5.175 1.100 397 HB2 LEU 60 2HB LEU 60 -14.431 3.706 2.903 398 HB3 LEU 60 1HB LEU 60 -15.676 3.027 1.876 399 HG LEU 60 HG LEU 60 -13.673 2.514 0.791 400 HD11 LEU 60 1HD1 LEU 60 -14.049 3.341 -1.276 401 HD12 LEU 60 2HD1 LEU 60 -14.122 5.012 -0.718 402 HD13 LEU 60 3HD1 LEU 60 -15.511 3.948 -0.500 403 HD21 LEU 60 3HD2 LEU 60 -12.524 5.192 0.557 404 HD22 LEU 60 1HD2 LEU 60 -11.752 3.654 0.936 405 HD23 LEU 60 2HD2 LEU 60 -12.569 4.566 2.205 406 HA PRO 61 HA PRO 61 -18.449 6.296 4.882 407 HB2 PRO 61 2HB PRO 61 -20.721 4.857 4.466 408 HB3 PRO 61 1HB PRO 61 -20.381 6.375 3.629 409 HG2 PRO 61 2HG PRO 61 -20.018 3.561 2.674 410 HG3 PRO 61 1HG PRO 61 -20.687 4.956 1.810 411 HD2 PRO 61 2HD PRO 61 -18.154 4.101 1.428 412 HD3 PRO 61 1HD PRO 61 -18.601 5.816 1.322 413 H ARG 62 H ARG 62 -19.966 4.847 6.485 414 HA ARG 62 HA ARG 62 -18.154 2.939 7.619 415 HB2 ARG 62 2HB ARG 62 -20.121 4.562 8.647 416 HB3 ARG 62 1HB ARG 62 -20.863 2.972 8.739 417 HG2 ARG 62 2HG ARG 62 -18.088 3.409 9.773 418 HG3 ARG 62 1HG ARG 62 -19.494 3.846 10.744 419 HD2 ARG 62 2HD ARG 62 -20.151 1.335 9.888 420 HD3 ARG 62 1HD ARG 62 -18.404 1.208 10.082 421 HE ARG 62 HE ARG 62 -19.256 2.393 12.388 422 HH11 ARG 62 1HH1 ARG 62 -20.055 -0.582 10.715 423 HH12 ARG 62 2HH1 ARG 62 -20.473 -1.429 12.164 424 HH21 ARG 62 1HH2 ARG 62 -19.809 1.261 14.297 425 HH22 ARG 62 2HH2 ARG 62 -20.334 -0.385 14.194 426 H ASN 63 H ASN 63 -20.021 2.489 5.023 427 HA ASN 63 HA ASN 63 -20.812 -0.240 5.794 428 HB2 ASN 63 2HB ASN 63 -22.384 1.719 4.649 429 HB3 ASN 63 1HB ASN 63 -21.891 0.762 3.256 430 HD21 ASN 63 1HD2 ASN 63 -23.149 0.379 6.550 431 HD22 ASN 63 2HD2 ASN 63 -24.183 -0.954 6.183 432 H GLU 64 H GLU 64 -19.336 1.703 3.200 433 HA GLU 64 HA GLU 64 -18.501 -0.644 1.744 434 HB2 GLU 64 2HB GLU 64 -19.116 1.483 0.616 435 HB3 GLU 64 1HB GLU 64 -17.703 2.244 1.333 436 HG2 GLU 64 2HG GLU 64 -16.759 1.705 -0.630 437 HG3 GLU 64 1HG GLU 64 -16.530 0.142 0.151 438 H GLN 65 H GLN 65 -16.936 1.827 3.771 439 HA GLN 65 HA GLN 65 -14.289 0.983 3.425 440 HB2 GLN 65 2HB GLN 65 -15.244 3.089 4.622 441 HB3 GLN 65 1HB GLN 65 -15.245 2.069 6.054 442 HG2 GLN 65 2HG GLN 65 -12.944 1.915 6.110 443 HG3 GLN 65 1HG GLN 65 -12.772 2.314 4.403 444 HE21 GLN 65 1HE2 GLN 65 -12.746 3.489 7.577 445 HE22 GLN 65 2HE2 GLN 65 -12.609 5.171 7.212 446 H GLU 66 H GLU 66 -16.826 -0.277 5.520 447 HA GLU 66 HA GLU 66 -15.148 -1.846 7.180 448 HB2 GLU 66 2HB GLU 66 -18.013 -1.494 6.778 449 HB3 GLU 66 1HB GLU 66 -17.588 -3.169 7.112 450 HG2 GLU 66 2HG GLU 66 -16.378 -1.100 8.844 451 HG3 GLU 66 1HG GLU 66 -18.104 -1.403 9.025 452 H LYS 67 H LYS 67 -17.245 -2.839 4.451 453 HA LYS 67 HA LYS 67 -16.355 -5.489 4.342 454 HB2 LYS 67 2HB LYS 67 -18.044 -3.790 2.772 455 HB3 LYS 67 1HB LYS 67 -16.967 -4.669 1.694 456 HG2 LYS 67 2HG LYS 67 -18.718 -6.126 1.828 457 HG3 LYS 67 1HG LYS 67 -17.693 -6.729 3.131 458 HD2 LYS 67 2HD LYS 67 -19.114 -4.985 4.545 459 HD3 LYS 67 1HD LYS 67 -20.288 -5.280 3.261 460 HE2 LYS 67 2HE LYS 67 -20.641 -6.780 5.162 461 HE3 LYS 67 1HE LYS 67 -20.201 -7.670 3.705 462 HZ1 LYS 67 3HZ LYS 67 -19.070 -8.214 5.969 463 HZ2 LYS 67 1HZ LYS 67 -18.084 -6.891 5.592 464 HZ3 LYS 67 2HZ LYS 67 -18.156 -8.219 4.546 465 H TRP 68 H TRP 68 -14.948 -2.555 3.021 466 HA TRP 68 HA TRP 68 -13.106 -3.882 1.297 467 HB2 TRP 68 2HB TRP 68 -13.625 -1.103 2.135 468 HB3 TRP 68 1HB TRP 68 -11.951 -1.454 1.716 469 HD1 TRP 68 HD TRP 68 -14.613 0.083 0.088 470 HE1 TRP 68 1HE TRP 68 -14.716 -0.392 -2.439 471 HE3 TRP 68 3HE TRP 68 -11.581 -4.030 -0.087 472 HZ2 TRP 68 2HZ TRP 68 -13.650 -2.262 -4.265 473 HZ3 TRP 68 3HZ TRP 68 -11.174 -5.103 -2.264 474 HH2 TRP 68 HH TRP 68 -12.188 -4.236 -4.308 475 H ARG 69 H ARG 69 -12.687 -2.247 4.459 476 HA ARG 69 HA ARG 69 -9.989 -2.793 4.794 477 HB2 ARG 69 2HB ARG 69 -10.294 -2.434 7.163 478 HB3 ARG 69 1HB ARG 69 -11.277 -1.286 6.267 479 HG2 ARG 69 2HG ARG 69 -13.270 -2.456 6.780 480 HG3 ARG 69 1HG ARG 69 -12.378 -3.843 7.400 481 HD2 ARG 69 2HD ARG 69 -12.619 -2.937 9.421 482 HD3 ARG 69 1HD ARG 69 -11.435 -1.734 8.914 483 HE ARG 69 HE ARG 69 -14.303 -1.381 9.153 484 HH11 ARG 69 1HH1 ARG 69 -11.268 -0.073 7.979 485 HH12 ARG 69 2HH1 ARG 69 -11.880 1.536 7.825 486 HH21 ARG 69 1HH2 ARG 69 -15.106 0.738 8.928 487 HH22 ARG 69 2HH2 ARG 69 -14.062 1.996 8.363 488 H ILE 70 H ILE 70 -12.771 -4.848 5.624 489 HA ILE 70 HA ILE 70 -11.315 -6.861 6.942 490 HB ILE 70 HB ILE 70 -13.869 -7.223 5.364 491 HG12 ILE 70 2HG1 ILE 70 -13.795 -6.899 8.340 492 HG13 ILE 70 1HG1 ILE 70 -13.687 -5.458 7.334 493 HG21 ILE 70 1HG2 ILE 70 -12.672 -8.862 7.596 494 HG22 ILE 70 2HG2 ILE 70 -12.753 -9.323 5.897 495 HG23 ILE 70 3HG2 ILE 70 -14.235 -9.148 6.833 496 HD11 ILE 70 3HD1 ILE 70 -15.804 -6.011 6.286 497 HD12 ILE 70 1HD1 ILE 70 -15.975 -5.917 8.039 498 HD13 ILE 70 2HD1 ILE 70 -15.905 -7.489 7.242 499 H ALA 71 H ALA 71 -12.533 -6.836 3.572 500 HA ALA 71 HA ALA 71 -11.292 -9.200 2.757 501 HB1 ALA 71 1HB ALA 71 -12.831 -8.570 1.210 502 HB2 ALA 71 2HB ALA 71 -11.391 -7.923 0.424 503 HB3 ALA 71 3HB ALA 71 -12.440 -6.854 1.354 504 H PHE 72 H PHE 72 -10.107 -5.844 2.524 505 HA PHE 72 HA PHE 72 -7.711 -6.479 1.184 506 HB2 PHE 72 2HB PHE 72 -8.824 -4.117 2.548 507 HB3 PHE 72 1HB PHE 72 -7.066 -4.198 2.535 508 HD1 PHE 72 1HD PHE 72 -6.416 -5.333 -0.038 509 HD2 PHE 72 2HD PHE 72 -9.483 -2.562 0.986 510 HE1 PHE 72 1HE PHE 72 -6.392 -4.460 -2.339 511 HE2 PHE 72 2HE PHE 72 -9.463 -1.686 -1.313 512 HZ PHE 72 HZ PHE 72 -7.917 -2.635 -2.978 513 H GLN 73 H GLN 73 -8.298 -5.870 4.665 514 HA GLN 73 HA GLN 73 -5.672 -6.299 5.529 515 HB2 GLN 73 2HB GLN 73 -8.322 -6.601 6.926 516 HB3 GLN 73 1HB GLN 73 -6.798 -6.899 7.752 517 HG2 GLN 73 2HG GLN 73 -6.089 -4.624 7.346 518 HG3 GLN 73 1HG GLN 73 -7.547 -4.310 6.410 519 HE21 GLN 73 1HE2 GLN 73 -6.137 -3.888 9.342 520 HE22 GLN 73 2HE2 GLN 73 -7.548 -3.675 10.317 521 H LYS 74 H LYS 74 -8.128 -8.593 4.597 522 HA LYS 74 HA LYS 74 -6.822 -10.840 5.851 523 HB2 LYS 74 2HB LYS 74 -9.375 -10.363 4.949 524 HB3 LYS 74 1HB LYS 74 -8.732 -11.428 3.713 525 HG2 LYS 74 2HG LYS 74 -7.937 -12.776 5.881 526 HG3 LYS 74 1HG LYS 74 -9.358 -11.972 6.550 527 HD2 LYS 74 2HD LYS 74 -10.483 -13.719 5.696 528 HD3 LYS 74 1HD LYS 74 -10.315 -12.867 4.161 529 HE2 LYS 74 2HE LYS 74 -8.375 -14.930 5.208 530 HE3 LYS 74 1HE LYS 74 -9.663 -15.263 4.052 531 HZ1 LYS 74 3HZ LYS 74 -7.914 -14.899 2.654 532 HZ2 LYS 74 1HZ LYS 74 -7.165 -13.773 3.671 533 HZ3 LYS 74 2HZ LYS 74 -8.513 -13.322 2.754 534 H VAL 75 H VAL 75 -6.855 -9.318 2.682 535 HA VAL 75 HA VAL 75 -5.460 -11.526 1.430 536 HB VAL 75 HB VAL 75 -6.032 -8.780 0.308 537 HG11 VAL 75 1HG1 VAL 75 -4.730 -11.213 -0.768 538 HG12 VAL 75 2HG1 VAL 75 -4.448 -9.513 -1.142 539 HG13 VAL 75 3HG1 VAL 75 -5.830 -10.351 -1.843 540 HG21 VAL 75 3HG2 VAL 75 -8.092 -9.441 -0.276 541 HG22 VAL 75 1HG2 VAL 75 -7.892 -10.677 0.967 542 HG23 VAL 75 2HG2 VAL 75 -7.552 -11.060 -0.719 543 H VAL 76 H VAL 76 -4.646 -8.138 2.244 544 HA VAL 76 HA VAL 76 -1.853 -8.936 2.506 545 HB VAL 76 HB VAL 76 -1.128 -6.892 1.172 546 HG11 VAL 76 1HG1 VAL 76 -0.787 -8.186 -0.689 547 HG12 VAL 76 2HG1 VAL 76 -2.411 -8.870 -0.647 548 HG13 VAL 76 3HG1 VAL 76 -1.193 -9.425 0.499 549 HG21 VAL 76 3HG2 VAL 76 -4.003 -7.081 0.305 550 HG22 VAL 76 1HG2 VAL 76 -2.761 -6.336 -0.701 551 HG23 VAL 76 2HG2 VAL 76 -3.123 -5.669 0.890 552 H GLY 77 H GLY 77 -4.279 -6.377 2.882 553 HA2 GLY 77 2HA GLY 77 -2.917 -4.416 4.183 554 HA3 GLY 77 1HA GLY 77 -4.567 -4.854 4.581 555 H SER 78 H SER 78 -3.908 -7.504 5.592 556 HA SER 78 HA SER 78 -3.391 -8.521 7.553 557 HB2 SER 78 2HB SER 78 -1.062 -7.921 6.759 558 HB3 SER 78 1HB SER 78 -1.144 -6.515 7.820 559 HG SER 78 HG SER 78 -0.987 -9.234 8.458 560 H ARG 79 H ARG 79 -2.439 -7.594 9.989 561 HA ARG 79 HA ARG 79 -4.689 -5.940 10.848 562 HB2 ARG 79 2HB ARG 79 -3.961 -8.213 11.901 563 HB3 ARG 79 1HB ARG 79 -2.724 -7.253 12.701 564 HG2 ARG 79 2HG ARG 79 -4.935 -5.787 13.248 565 HG3 ARG 79 1HG ARG 79 -5.610 -7.417 13.205 566 HD2 ARG 79 2HD ARG 79 -4.844 -7.732 15.267 567 HD3 ARG 79 1HD ARG 79 -3.204 -7.620 14.630 568 HE ARG 79 HE ARG 79 -4.307 -5.043 15.109 569 HH11 ARG 79 1HH1 ARG 79 -2.862 -7.786 16.743 570 HH12 ARG 79 2HH1 ARG 79 -2.277 -6.841 18.069 571 HH21 ARG 79 1HH2 ARG 79 -3.535 -3.809 16.869 572 HH22 ARG 79 2HH2 ARG 79 -2.659 -4.590 18.142 573 H ASN 80 H ASN 80 -2.677 -4.572 9.444 574 HA ASN 80 HA ASN 80 -1.973 -2.550 11.363 575 HB2 ASN 80 2HB ASN 80 -0.107 -4.316 11.469 576 HB3 ASN 80 1HB ASN 80 0.318 -3.794 9.843 577 HD21 ASN 80 1HD2 ASN 80 0.488 -3.091 13.191 578 HD22 ASN 80 2HD2 ASN 80 1.401 -1.630 13.064 579 H LEU 81 H LEU 81 -2.056 -0.597 10.391 580 HA LEU 81 HA LEU 81 -1.618 -0.449 7.486 581 HB2 LEU 81 2HB LEU 81 -3.968 0.559 9.057 582 HB3 LEU 81 1HB LEU 81 -3.492 1.355 7.569 583 HG LEU 81 HG LEU 81 -4.090 -1.595 7.689 584 HD11 LEU 81 1HD1 LEU 81 -6.268 -0.615 6.501 585 HD12 LEU 81 2HD1 LEU 81 -5.935 0.716 7.609 586 HD13 LEU 81 3HD1 LEU 81 -6.179 -0.913 8.236 587 HD21 LEU 81 3HD2 LEU 81 -4.106 0.363 5.395 588 HD22 LEU 81 1HD2 LEU 81 -4.361 -1.379 5.301 589 HD23 LEU 81 2HD2 LEU 81 -2.785 -0.743 5.770 590 HA PRO 82 HA PRO 82 -1.968 1.403 6.017 591 HB2 PRO 82 2HB PRO 82 -0.080 2.581 4.488 592 HB3 PRO 82 1HB PRO 82 -1.363 3.497 5.284 593 HG2 PRO 82 2HG PRO 82 1.489 3.123 6.102 594 HG3 PRO 82 1HG PRO 82 0.493 4.589 6.149 595 HD2 PRO 82 2HD PRO 82 0.990 3.029 8.336 596 HD3 PRO 82 1HD PRO 82 -0.470 4.017 8.147 597 H THR 83 H THR 83 -0.900 0.466 3.933 598 HA THR 83 HA THR 83 1.387 -1.256 4.524 599 HB THR 83 HB THR 83 -0.451 -2.648 5.181 600 HG1 THR 83 1HG THR 83 -0.144 -4.349 3.793 601 HG21 THR 83 3HG2 THR 83 -1.908 -3.085 2.813 602 HG22 THR 83 1HG2 THR 83 -1.876 -1.344 3.094 603 HG23 THR 83 2HG2 THR 83 -2.478 -2.429 4.348 604 H ILE 84 H ILE 84 2.361 -2.224 2.632 605 HA ILE 84 HA ILE 84 1.667 -0.822 0.132 606 HB ILE 84 HB ILE 84 4.431 -1.748 0.913 607 HG12 ILE 84 2HG1 ILE 84 4.429 1.039 0.801 608 HG13 ILE 84 1HG1 ILE 84 2.957 0.643 1.681 609 HG21 ILE 84 1HG2 ILE 84 4.055 -1.618 -1.485 610 HG22 ILE 84 2HG2 ILE 84 5.155 -0.344 -0.958 611 HG23 ILE 84 3HG2 ILE 84 3.472 0.038 -1.320 612 HD11 ILE 84 3HD1 ILE 84 5.564 -0.606 2.436 613 HD12 ILE 84 1HD1 ILE 84 4.117 -0.361 3.413 614 HD13 ILE 84 2HD1 ILE 84 5.138 1.013 2.990 615 H VAL 85 H VAL 85 0.822 -2.171 -1.312 616 HA VAL 85 HA VAL 85 1.601 -5.005 -1.289 617 HB VAL 85 HB VAL 85 -0.683 -3.755 -2.820 618 HG11 VAL 85 1HG1 VAL 85 -1.441 -6.278 -2.394 619 HG12 VAL 85 2HG1 VAL 85 0.307 -6.512 -2.400 620 HG13 VAL 85 3HG1 VAL 85 -0.489 -5.788 -3.797 621 HG21 VAL 85 3HG2 VAL 85 -0.850 -5.140 -0.146 622 HG22 VAL 85 1HG2 VAL 85 -2.169 -4.396 -1.052 623 HG23 VAL 85 2HG2 VAL 85 -0.895 -3.390 -0.365 624 H VAL 86 H VAL 86 3.080 -5.646 -2.712 625 HA VAL 86 HA VAL 86 3.230 -4.280 -5.322 626 HB VAL 86 HB VAL 86 5.600 -5.438 -3.846 627 HG11 VAL 86 1HG1 VAL 86 6.127 -5.443 -6.113 628 HG12 VAL 86 2HG1 VAL 86 6.790 -3.912 -5.547 629 HG13 VAL 86 3HG1 VAL 86 5.259 -3.940 -6.420 630 HG21 VAL 86 3HG2 VAL 86 6.253 -3.025 -3.534 631 HG22 VAL 86 1HG2 VAL 86 4.891 -3.571 -2.556 632 HG23 VAL 86 2HG2 VAL 86 4.606 -2.598 -3.998 633 H ASN 87 H ASN 87 3.161 -5.553 -7.076 634 HA ASN 87 HA ASN 87 3.002 -7.393 -8.398 635 HB2 ASN 87 2HB ASN 87 5.195 -7.944 -6.592 636 HB3 ASN 87 1HB ASN 87 4.354 -9.431 -7.012 637 HD21 ASN 87 1HD2 ASN 87 4.951 -10.396 -8.820 638 HD22 ASN 87 2HD2 ASN 87 5.799 -9.654 -10.128 639 H GLY 88 H GLY 88 1.010 -6.912 -6.318 640 HA2 GLY 88 2HA GLY 88 -0.896 -7.929 -5.536 641 HA3 GLY 88 1HA GLY 88 -0.489 -9.289 -6.569 642 H LYS 89 H LYS 89 1.262 -7.922 -3.806 643 HA LYS 89 HA LYS 89 0.516 -9.890 -1.954 644 HB2 LYS 89 2HB LYS 89 2.815 -11.009 -1.840 645 HB3 LYS 89 1HB LYS 89 1.739 -11.515 -3.133 646 HG2 LYS 89 2HG LYS 89 2.971 -10.377 -4.762 647 HG3 LYS 89 1HG LYS 89 3.818 -9.399 -3.564 648 HD2 LYS 89 2HD LYS 89 4.812 -11.584 -2.717 649 HD3 LYS 89 1HD LYS 89 4.195 -12.312 -4.202 650 HE2 LYS 89 2HE LYS 89 5.805 -9.816 -4.406 651 HE3 LYS 89 1HE LYS 89 6.645 -11.326 -4.054 652 HZ1 LYS 89 3HZ LYS 89 4.730 -11.295 -6.272 653 HZ2 LYS 89 1HZ LYS 89 6.160 -12.183 -6.093 654 HZ3 LYS 89 2HZ LYS 89 6.228 -10.544 -6.503 655 H PHE 90 H PHE 90 1.127 -9.318 0.052 656 HA PHE 90 HA PHE 90 2.089 -6.751 0.563 657 HB2 PHE 90 2HB PHE 90 0.755 -7.873 2.221 658 HB3 PHE 90 1HB PHE 90 1.933 -9.172 2.368 659 HD1 PHE 90 2HD PHE 90 1.261 -5.631 3.124 660 HD2 PHE 90 1HD PHE 90 3.843 -8.953 3.766 661 HE1 PHE 90 2HE PHE 90 2.354 -4.423 4.967 662 HE2 PHE 90 1HE PHE 90 4.938 -7.749 5.610 663 HZ PHE 90 HZ PHE 90 4.194 -5.482 6.212 664 H TRP 91 H TRP 91 4.055 -6.051 0.005 665 HA TRP 91 HA TRP 91 6.364 -7.664 0.849 666 HB2 TRP 91 2HB TRP 91 5.655 -6.791 -1.838 667 HB3 TRP 91 1HB TRP 91 7.274 -6.278 -1.369 668 HD1 TRP 91 HD TRP 91 5.260 -9.605 -1.129 669 HE1 TRP 91 1HE TRP 91 6.845 -11.532 -1.762 670 HE3 TRP 91 3HE TRP 91 9.524 -6.912 -1.991 671 HZ2 TRP 91 2HZ TRP 91 9.537 -11.869 -2.530 672 HZ3 TRP 91 3HZ TRP 91 11.559 -8.115 -2.671 673 HH2 TRP 91 HH TRP 91 11.565 -10.542 -2.933 674 H GLY 92 H GLY 92 4.807 -4.891 1.482 675 HA2 GLY 92 2HA GLY 92 7.276 -3.606 2.365 676 HA3 GLY 92 1HA GLY 92 6.214 -2.668 1.333 677 H THR 93 H THR 93 7.122 -2.493 4.225 678 HA THR 93 HA THR 93 4.439 -2.067 5.356 679 HB THR 93 HB THR 93 6.564 -2.677 7.308 680 HG1 THR 93 1HG THR 93 7.180 -4.341 6.125 681 HG21 THR 93 3HG2 THR 93 3.679 -3.049 7.042 682 HG22 THR 93 1HG2 THR 93 4.670 -2.765 8.476 683 HG23 THR 93 2HG2 THR 93 4.527 -4.391 7.809 684 H GLU 94 H GLU 94 4.740 -0.698 7.497 685 HA GLU 94 HA GLU 94 5.691 1.841 6.702 686 HB2 GLU 94 2HB GLU 94 3.836 1.492 8.308 687 HB3 GLU 94 1HB GLU 94 4.992 0.876 9.482 688 HG2 GLU 94 2HG GLU 94 6.089 3.285 8.847 689 HG3 GLU 94 1HG GLU 94 4.370 3.630 8.708 690 H SER 95 H SER 95 6.954 -0.586 8.972 691 HA SER 95 HA SER 95 9.177 0.886 9.861 692 HB2 SER 95 2HB SER 95 8.111 -1.432 10.663 693 HB3 SER 95 1HB SER 95 9.411 -2.079 9.663 694 HG SER 95 HG SER 95 9.843 -1.600 11.996 695 H GLN 96 H GLN 96 8.748 -1.248 7.082 696 HA GLN 96 HA GLN 96 11.405 -1.549 6.316 697 HB2 GLN 96 2HB GLN 96 9.370 -2.676 5.312 698 HB3 GLN 96 1HB GLN 96 9.110 -1.201 4.390 699 HG2 GLN 96 2HG GLN 96 10.789 -1.632 2.961 700 HG3 GLN 96 1HG GLN 96 11.816 -2.330 4.212 701 HE21 GLN 96 1HE2 GLN 96 9.858 -2.967 1.563 702 HE22 GLN 96 2HE2 GLN 96 9.744 -4.681 1.734 703 H LEU 97 H LEU 97 9.205 1.160 5.822 704 HA LEU 97 HA LEU 97 10.800 2.552 3.937 705 HB2 LEU 97 2HB LEU 97 8.906 3.830 5.902 706 HB3 LEU 97 1HB LEU 97 9.395 4.439 4.333 707 HG LEU 97 HG LEU 97 7.710 1.969 4.755 708 HD11 LEU 97 1HD1 LEU 97 6.043 3.664 3.567 709 HD12 LEU 97 2HD1 LEU 97 7.025 4.835 4.447 710 HD13 LEU 97 3HD1 LEU 97 6.188 3.551 5.321 711 HD21 LEU 97 3HD2 LEU 97 8.888 3.305 2.380 712 HD22 LEU 97 1HD2 LEU 97 7.254 2.657 2.228 713 HD23 LEU 97 2HD2 LEU 97 8.583 1.595 2.687 714 H HIS 98 H HIS 98 10.404 3.006 7.455 715 HA HIS 98 HA HIS 98 12.401 4.985 7.696 716 HB2 HIS 98 2HB HIS 98 10.955 3.197 9.608 717 HB3 HIS 98 1HB HIS 98 12.375 4.068 10.171 718 HD1 HIS 98 1HD HIS 98 11.580 6.020 11.461 719 HD2 HIS 98 2HD HIS 98 9.295 5.397 8.045 720 HE1 HIS 98 1HE HIS 98 9.909 7.900 11.418 721 HE2 HIS 98 2HE HIS 98 8.470 7.441 9.401 722 H ARG 99 H ARG 99 12.511 1.457 7.865 723 HA ARG 99 HA ARG 99 15.156 1.275 8.868 724 HB2 ARG 99 2HB ARG 99 13.268 -0.638 7.557 725 HB3 ARG 99 1HB ARG 99 14.948 -1.096 7.780 726 HG2 ARG 99 2HG ARG 99 14.764 -0.846 10.162 727 HG3 ARG 99 1HG ARG 99 13.136 -0.189 10.004 728 HD2 ARG 99 2HD ARG 99 13.078 -2.524 10.698 729 HD3 ARG 99 1HD ARG 99 12.350 -2.318 9.108 730 HE ARG 99 HE ARG 99 15.001 -2.977 8.674 731 HH11 ARG 99 1HH1 ARG 99 12.225 -4.468 10.202 732 HH12 ARG 99 2HH1 ARG 99 12.736 -6.080 9.837 733 HH21 ARG 99 1HH2 ARG 99 15.665 -5.113 8.195 734 HH22 ARG 99 2HH2 ARG 99 14.684 -6.446 8.702 735 H PHE 100 H PHE 100 13.825 1.243 5.586 736 HA PHE 100 HA PHE 100 16.374 0.762 4.357 737 HB2 PHE 100 2HB PHE 100 13.614 1.304 3.383 738 HB3 PHE 100 1HB PHE 100 14.947 1.641 2.284 739 HD1 PHE 100 1HD PHE 100 13.795 -1.066 4.588 740 HD2 PHE 100 2HD PHE 100 15.626 -0.043 0.884 741 HE1 PHE 100 1HE PHE 100 13.898 -3.448 3.985 742 HE2 PHE 100 2HE PHE 100 15.730 -2.423 0.278 743 HZ PHE 100 HZ PHE 100 14.867 -4.129 1.826 744 H GLU 101 H GLU 101 14.284 3.625 4.735 745 HA GLU 101 HA GLU 101 15.915 5.410 3.300 746 HB2 GLU 101 2HB GLU 101 13.465 5.614 4.409 747 HB3 GLU 101 1HB GLU 101 14.403 6.502 5.604 748 HG2 GLU 101 2HG GLU 101 15.198 8.025 3.913 749 HG3 GLU 101 1HG GLU 101 14.401 7.090 2.650 750 H ALA 102 H ALA 102 15.832 4.579 6.735 751 HA ALA 102 HA ALA 102 17.738 6.445 7.621 752 HB1 ALA 102 1HB ALA 102 17.998 4.920 9.578 753 HB2 ALA 102 2HB ALA 102 16.952 3.762 8.753 754 HB3 ALA 102 3HB ALA 102 16.325 5.346 9.212 755 H LYS 103 H LYS 103 18.100 3.088 6.496 756 HA LYS 103 HA LYS 103 20.917 3.005 6.927 757 HB2 LYS 103 2HB LYS 103 18.982 1.265 5.417 758 HB3 LYS 103 1HB LYS 103 20.712 0.964 5.386 759 HG2 LYS 103 2HG LYS 103 20.516 1.004 7.968 760 HG3 LYS 103 1HG LYS 103 18.798 0.737 7.662 761 HD2 LYS 103 2HD LYS 103 20.763 -0.986 6.242 762 HD3 LYS 103 1HD LYS 103 20.487 -1.279 7.959 763 HE2 LYS 103 2HE LYS 103 18.118 -1.563 7.568 764 HE3 LYS 103 1HE LYS 103 18.319 -1.147 5.867 765 HZ1 LYS 103 3HZ LYS 103 19.218 -3.161 5.381 766 HZ2 LYS 103 1HZ LYS 103 18.229 -3.631 6.671 767 HZ3 LYS 103 2HZ LYS 103 19.883 -3.386 6.920 768 H GLY 104 H GLY 104 18.862 4.025 4.293 769 HA2 GLY 104 2HA GLY 104 19.552 5.441 2.545 770 HA3 GLY 104 1HA GLY 104 21.217 4.975 2.853 771 H THR 105 H THR 105 18.683 2.584 2.543 772 HA THR 105 HA THR 105 19.835 1.781 -0.053 773 HB THR 105 HB THR 105 19.359 -0.512 0.488 774 HG1 THR 105 1HG THR 105 18.025 0.563 2.736 775 HG21 THR 105 3HG2 THR 105 20.372 0.045 3.139 776 HG22 THR 105 1HG2 THR 105 21.217 0.954 1.887 777 HG23 THR 105 2HG2 THR 105 21.126 -0.804 1.790 778 H LEU 106 H LEU 106 17.339 3.482 0.844 779 HA LEU 106 HA LEU 106 15.080 2.049 -0.135 780 HB2 LEU 106 2HB LEU 106 15.315 4.248 1.357 781 HB3 LEU 106 1HB LEU 106 15.125 5.023 -0.204 782 HG LEU 106 HG LEU 106 13.089 3.086 -0.072 783 HD11 LEU 106 1HD1 LEU 106 13.677 4.305 2.561 784 HD12 LEU 106 2HD1 LEU 106 12.934 2.755 2.164 785 HD13 LEU 106 3HD1 LEU 106 11.989 4.240 2.059 786 HD21 LEU 106 3HD2 LEU 106 11.764 5.358 0.361 787 HD22 LEU 106 1HD2 LEU 106 12.479 4.956 -1.199 788 HD23 LEU 106 2HD2 LEU 106 13.326 6.037 -0.094 789 H GLU 107 H GLU 107 17.076 4.653 -1.558 790 HA GLU 107 HA GLU 107 15.773 4.714 -4.045 791 HB2 GLU 107 2HB GLU 107 18.436 5.635 -3.044 792 HB3 GLU 107 1HB GLU 107 18.132 5.632 -4.776 793 HG2 GLU 107 2HG GLU 107 16.413 7.203 -4.600 794 HG3 GLU 107 1HG GLU 107 16.241 6.947 -2.864 795 H GLU 108 H GLU 108 18.642 2.894 -2.976 796 HA GLU 108 HA GLU 108 19.257 1.768 -5.480 797 HB2 GLU 108 2HB GLU 108 20.665 1.823 -3.310 798 HB3 GLU 108 1HB GLU 108 19.799 0.355 -2.881 799 HG2 GLU 108 2HG GLU 108 21.712 -0.468 -3.860 800 HG3 GLU 108 1HG GLU 108 20.567 -0.492 -5.198 801 H GLU 109 H GLU 109 17.386 0.426 -2.752 802 HA GLU 109 HA GLU 109 16.721 -1.997 -4.019 803 HB2 GLU 109 2HB GLU 109 16.457 -1.239 -1.526 804 HB3 GLU 109 1HB GLU 109 14.862 -0.719 -2.053 805 HG2 GLU 109 2HG GLU 109 14.455 -2.843 -1.262 806 HG3 GLU 109 1HG GLU 109 14.641 -3.115 -2.992 807 H LEU 110 H LEU 110 15.142 1.165 -4.014 808 HA LEU 110 HA LEU 110 12.699 0.491 -5.158 809 HB2 LEU 110 2HB LEU 110 14.372 2.953 -5.089 810 HB3 LEU 110 1HB LEU 110 13.042 2.907 -6.230 811 HG LEU 110 HG LEU 110 12.660 2.365 -3.291 812 HD11 LEU 110 1HD1 LEU 110 12.566 4.984 -4.772 813 HD12 LEU 110 2HD1 LEU 110 13.556 4.564 -3.375 814 HD13 LEU 110 3HD1 LEU 110 11.807 4.722 -3.203 815 HD21 LEU 110 3HD2 LEU 110 10.337 2.895 -3.779 816 HD22 LEU 110 1HD2 LEU 110 10.899 1.574 -4.801 817 HD23 LEU 110 2HD2 LEU 110 10.745 3.200 -5.468 818 H THR 111 H THR 111 15.765 1.331 -6.769 819 HA THR 111 HA THR 111 14.775 1.140 -9.410 820 HB THR 111 HB THR 111 17.622 0.699 -8.482 821 HG1 THR 111 1HG THR 111 17.867 2.870 -8.575 822 HG21 THR 111 3HG2 THR 111 17.754 2.068 -10.824 823 HG22 THR 111 1HG2 THR 111 16.395 0.981 -11.119 824 HG23 THR 111 2HG2 THR 111 17.966 0.326 -10.652 825 H LYS 112 H LYS 112 15.983 -1.255 -7.144 826 HA LYS 112 HA LYS 112 16.456 -3.371 -8.941 827 HB2 LYS 112 2HB LYS 112 16.737 -2.986 -6.239 828 HB3 LYS 112 1HB LYS 112 15.402 -4.122 -6.303 829 HG2 LYS 112 2HG LYS 112 17.865 -4.671 -7.889 830 HG3 LYS 112 1HG LYS 112 17.862 -4.964 -6.149 831 HD2 LYS 112 2HD LYS 112 16.271 -6.637 -6.300 832 HD3 LYS 112 1HD LYS 112 15.645 -6.044 -7.841 833 HE2 LYS 112 2HE LYS 112 18.275 -6.664 -8.408 834 HE3 LYS 112 1HE LYS 112 17.787 -7.941 -7.295 835 HZ1 LYS 112 3HZ LYS 112 15.851 -8.348 -8.745 836 HZ2 LYS 112 1HZ LYS 112 17.324 -8.614 -9.533 837 HZ3 LYS 112 2HZ LYS 112 16.445 -7.202 -9.841 838 H ILE 113 H ILE 113 13.527 -2.126 -7.474 839 HA ILE 113 HA ILE 113 11.920 -4.394 -8.275 840 HB ILE 113 HB ILE 113 10.544 -1.883 -7.529 841 HG12 ILE 113 2HG1 ILE 113 12.256 -3.417 -5.556 842 HG13 ILE 113 1HG1 ILE 113 12.412 -1.719 -5.994 843 HG21 ILE 113 1HG2 ILE 113 9.174 -3.433 -6.235 844 HG22 ILE 113 2HG2 ILE 113 10.283 -4.746 -6.628 845 HG23 ILE 113 3HG2 ILE 113 9.348 -3.966 -7.906 846 HD11 ILE 113 3HD1 ILE 113 10.494 -3.041 -4.179 847 HD12 ILE 113 1HD1 ILE 113 9.907 -1.669 -5.117 848 HD13 ILE 113 2HD1 ILE 113 11.294 -1.474 -4.047 849 H GLY 114 H GLY 114 12.745 -1.251 -9.557 850 HA2 GLY 114 2HA GLY 114 12.540 -0.912 -11.945 851 HA3 GLY 114 1HA GLY 114 11.052 -1.842 -11.900 852 H LEU 115 H LEU 115 11.581 0.476 -9.377 853 HA LEU 115 HA LEU 115 9.381 2.085 -10.426 854 HB2 LEU 115 2HB LEU 115 9.878 1.175 -7.927 855 HB3 LEU 115 1HB LEU 115 10.600 2.770 -7.822 856 HG LEU 115 HG LEU 115 7.841 2.566 -8.925 857 HD11 LEU 115 1HD1 LEU 115 7.227 2.895 -6.354 858 HD12 LEU 115 2HD1 LEU 115 8.630 1.843 -6.165 859 HD13 LEU 115 3HD1 LEU 115 7.254 1.312 -7.132 860 HD21 LEU 115 3HD2 LEU 115 8.601 4.746 -8.923 861 HD22 LEU 115 1HD2 LEU 115 9.488 4.549 -7.410 862 HD23 LEU 115 2HD2 LEU 115 7.728 4.661 -7.393 863 H LEU 116 H LEU 116 12.721 2.502 -9.266 864 HA LEU 116 HA LEU 116 12.763 5.255 -10.244 865 HB2 LEU 116 2HB LEU 116 14.525 3.603 -8.488 866 HB3 LEU 116 1HB LEU 116 15.218 4.987 -9.309 867 HG LEU 116 HG LEU 116 12.816 5.141 -7.487 868 HD11 LEU 116 1HD1 LEU 116 14.835 6.432 -6.197 869 HD12 LEU 116 2HD1 LEU 116 15.690 5.066 -6.913 870 HD13 LEU 116 3HD1 LEU 116 14.310 4.784 -5.854 871 HD21 LEU 116 3HD2 LEU 116 13.213 6.902 -9.305 872 HD22 LEU 116 1HD2 LEU 116 14.613 7.385 -8.346 873 HD23 LEU 116 2HD2 LEU 116 12.996 7.466 -7.648 874 HA PRO 117 HA PRO 117 14.916 4.419 -14.002 875 HB2 PRO 117 2HB PRO 117 16.769 6.414 -14.113 876 HB3 PRO 117 1HB PRO 117 15.046 6.674 -14.402 877 HG2 PRO 117 2HG PRO 117 16.649 7.168 -11.924 878 HG3 PRO 117 1HG PRO 117 15.391 8.176 -12.664 879 HD2 PRO 117 2HD PRO 117 14.912 6.592 -10.528 880 HD3 PRO 117 1HD PRO 117 13.679 6.921 -11.761 Start of MODEL 5 1 H MET 9 1HT MET 9 -15.900 -16.970 2.688 2 HA MET 9 HA MET 9 -14.163 -15.266 2.608 3 HB2 MET 9 2HB MET 9 -13.536 -18.191 2.226 4 HB3 MET 9 1HB MET 9 -12.308 -17.017 2.679 5 HG2 MET 9 2HG MET 9 -13.022 -16.892 4.797 6 HG3 MET 9 1HG MET 9 -14.723 -16.968 4.342 7 HE1 MET 9 2HE MET 9 -12.010 -18.331 6.040 8 HE2 MET 9 3HE MET 9 -12.319 -20.043 6.324 9 HE3 MET 9 1HE MET 9 -13.386 -18.827 7.026 10 H SER 10 H SER 10 -13.702 -17.687 0.037 11 HA SER 10 HA SER 10 -11.701 -16.296 -1.348 12 HB2 SER 10 2HB SER 10 -12.431 -17.769 -3.310 13 HB3 SER 10 1HB SER 10 -11.930 -18.602 -1.838 14 HG SER 10 HG SER 10 -13.846 -19.442 -1.748 15 H ALA 11 H ALA 11 -15.181 -16.002 -1.435 16 HA ALA 11 HA ALA 11 -15.706 -14.841 -3.849 17 HB1 ALA 11 1HB ALA 11 -16.881 -14.539 -1.147 18 HB2 ALA 11 2HB ALA 11 -17.626 -15.069 -2.655 19 HB3 ALA 11 3HB ALA 11 -17.340 -13.353 -2.367 20 H PHE 12 H PHE 12 -14.215 -13.305 -1.049 21 HA PHE 12 HA PHE 12 -14.071 -10.748 -2.428 22 HB2 PHE 12 2HB PHE 12 -13.596 -11.683 0.358 23 HB3 PHE 12 1HB PHE 12 -12.719 -10.256 -0.184 24 HD1 PHE 12 2HD PHE 12 -14.552 -8.804 -1.812 25 HD2 PHE 12 1HD PHE 12 -15.328 -11.044 1.723 26 HE1 PHE 12 2HE PHE 12 -16.536 -7.422 -1.378 27 HE2 PHE 12 1HE PHE 12 -17.316 -9.662 2.162 28 HZ PHE 12 HZ PHE 12 -17.922 -7.850 0.613 29 H VAL 13 H VAL 13 -11.921 -13.325 -1.324 30 HA VAL 13 HA VAL 13 -9.464 -12.103 -1.847 31 HB VAL 13 HB VAL 13 -10.069 -15.044 -2.201 32 HG11 VAL 13 1HG1 VAL 13 -7.773 -13.755 -2.811 33 HG12 VAL 13 2HG1 VAL 13 -7.850 -15.429 -2.262 34 HG13 VAL 13 3HG1 VAL 13 -7.486 -14.141 -1.114 35 HG21 VAL 13 3HG2 VAL 13 -8.888 -14.254 0.336 36 HG22 VAL 13 1HG2 VAL 13 -10.265 -15.304 0.008 37 HG23 VAL 13 2HG2 VAL 13 -10.488 -13.559 0.092 38 H THR 14 H THR 14 -11.553 -14.033 -3.985 39 HA THR 14 HA THR 14 -9.858 -14.017 -6.234 40 HB THR 14 HB THR 14 -12.881 -14.096 -6.270 41 HG1 THR 14 1HG THR 14 -11.016 -16.183 -5.812 42 HG21 THR 14 3HG2 THR 14 -11.398 -15.832 -8.080 43 HG22 THR 14 1HG2 THR 14 -11.182 -14.113 -8.398 44 HG23 THR 14 2HG2 THR 14 -12.802 -14.808 -8.374 45 H LYS 15 H LYS 15 -12.455 -11.808 -5.228 46 HA LYS 15 HA LYS 15 -12.393 -10.160 -7.513 47 HB2 LYS 15 2HB LYS 15 -13.398 -9.814 -4.714 48 HB3 LYS 15 1HB LYS 15 -13.350 -8.428 -5.795 49 HG2 LYS 15 2HG LYS 15 -14.887 -9.397 -7.283 50 HG3 LYS 15 1HG LYS 15 -14.705 -10.996 -6.557 51 HD2 LYS 15 2HD LYS 15 -15.941 -10.405 -4.665 52 HD3 LYS 15 1HD LYS 15 -15.750 -8.677 -4.968 53 HE2 LYS 15 2HE LYS 15 -17.256 -8.748 -6.804 54 HE3 LYS 15 1HE LYS 15 -17.270 -10.510 -6.806 55 HZ1 LYS 15 3HZ LYS 15 -19.194 -9.133 -5.708 56 HZ2 LYS 15 1HZ LYS 15 -18.148 -9.132 -4.377 57 HZ3 LYS 15 2HZ LYS 15 -18.675 -10.598 -5.037 58 H ALA 16 H ALA 16 -10.774 -9.873 -4.371 59 HA ALA 16 HA ALA 16 -9.438 -7.443 -4.910 60 HB1 ALA 16 1HB ALA 16 -9.112 -9.625 -2.908 61 HB2 ALA 16 2HB ALA 16 -9.432 -7.907 -2.666 62 HB3 ALA 16 3HB ALA 16 -7.811 -8.449 -3.098 63 H GLU 17 H GLU 17 -8.617 -10.812 -5.526 64 HA GLU 17 HA GLU 17 -5.921 -10.435 -6.257 65 HB2 GLU 17 2HB GLU 17 -7.951 -12.575 -6.712 66 HB3 GLU 17 1HB GLU 17 -6.464 -12.614 -7.646 67 HG2 GLU 17 2HG GLU 17 -6.337 -12.319 -4.681 68 HG3 GLU 17 1HG GLU 17 -6.636 -13.903 -5.396 69 H GLU 18 H GLU 18 -8.928 -10.149 -8.065 70 HA GLU 18 HA GLU 18 -7.754 -10.043 -10.645 71 HB2 GLU 18 2HB GLU 18 -10.409 -9.520 -9.474 72 HB3 GLU 18 1HB GLU 18 -10.051 -8.613 -10.937 73 HG2 GLU 18 2HG GLU 18 -9.354 -11.441 -11.110 74 HG3 GLU 18 1HG GLU 18 -11.070 -11.142 -10.842 75 H MET 19 H MET 19 -8.520 -7.578 -8.229 76 HA MET 19 HA MET 19 -8.013 -5.323 -9.847 77 HB2 MET 19 2HB MET 19 -8.920 -5.724 -7.279 78 HB3 MET 19 1HB MET 19 -7.338 -5.005 -7.010 79 HG2 MET 19 2HG MET 19 -9.568 -3.838 -8.660 80 HG3 MET 19 1HG MET 19 -9.061 -3.311 -7.057 81 HE1 MET 19 3HE MET 19 -7.788 -2.676 -11.105 82 HE2 MET 19 1HE MET 19 -8.381 -1.161 -10.423 83 HE3 MET 19 2HE MET 19 -9.346 -2.630 -10.277 84 H ILE 20 H ILE 20 -5.918 -7.161 -7.637 85 HA ILE 20 HA ILE 20 -3.631 -5.530 -8.067 86 HB ILE 20 HB ILE 20 -2.391 -7.385 -6.978 87 HG12 ILE 20 2HG1 ILE 20 -5.086 -8.684 -6.595 88 HG13 ILE 20 1HG1 ILE 20 -3.954 -9.188 -7.845 89 HG21 ILE 20 1HG2 ILE 20 -2.963 -5.946 -5.343 90 HG22 ILE 20 2HG2 ILE 20 -4.016 -7.268 -4.842 91 HG23 ILE 20 3HG2 ILE 20 -4.666 -5.940 -5.802 92 HD11 ILE 20 3HD1 ILE 20 -2.397 -9.226 -5.607 93 HD12 ILE 20 1HD1 ILE 20 -3.210 -10.621 -6.315 94 HD13 ILE 20 2HD1 ILE 20 -3.965 -9.739 -4.988 95 H LYS 21 H LYS 21 -5.132 -7.943 -9.949 96 HA LYS 21 HA LYS 21 -2.925 -9.170 -11.159 97 HB2 LYS 21 2HB LYS 21 -5.616 -9.484 -11.330 98 HB3 LYS 21 1HB LYS 21 -5.289 -8.693 -12.866 99 HG2 LYS 21 2HG LYS 21 -5.212 -11.023 -13.259 100 HG3 LYS 21 1HG LYS 21 -3.544 -10.448 -13.287 101 HD2 LYS 21 2HD LYS 21 -2.974 -11.660 -11.480 102 HD3 LYS 21 1HD LYS 21 -4.482 -11.292 -10.641 103 HE2 LYS 21 2HE LYS 21 -5.506 -12.916 -12.424 104 HE3 LYS 21 1HE LYS 21 -3.849 -13.504 -12.543 105 HZ1 LYS 21 3HZ LYS 21 -5.601 -14.456 -10.801 106 HZ2 LYS 21 1HZ LYS 21 -4.933 -13.225 -9.852 107 HZ3 LYS 21 2HZ LYS 21 -3.938 -14.429 -10.500 108 H SER 22 H SER 22 -5.003 -6.628 -12.577 109 HA SER 22 HA SER 22 -2.916 -5.913 -14.457 110 HB2 SER 22 2HB SER 22 -5.308 -5.976 -15.145 111 HB3 SER 22 1HB SER 22 -5.632 -4.638 -14.043 112 HG SER 22 HG SER 22 -5.142 -4.196 -16.391 113 H HIS 23 H HIS 23 -4.186 -4.781 -11.428 114 HA HIS 23 HA HIS 23 -2.394 -2.447 -11.590 115 HB2 HIS 23 2HB HIS 23 -5.053 -2.724 -10.185 116 HB3 HIS 23 1HB HIS 23 -3.935 -1.403 -9.871 117 HD1 HIS 23 1HD HIS 23 -3.993 0.546 -11.458 118 HD2 HIS 23 2HD HIS 23 -6.108 -2.738 -12.876 119 HE1 HIS 23 1HE HIS 23 -5.212 1.361 -13.499 120 HE2 HIS 23 2HE HIS 23 -6.545 -0.622 -14.296 121 HA PRO 24 HA PRO 24 -1.023 -5.350 -8.168 122 HB2 PRO 24 2HB PRO 24 1.580 -5.481 -8.930 123 HB3 PRO 24 1HB PRO 24 0.339 -6.576 -9.551 124 HG2 PRO 24 2HG PRO 24 1.496 -4.117 -10.809 125 HG3 PRO 24 1HG PRO 24 1.139 -5.689 -11.546 126 HD2 PRO 24 2HD PRO 24 -0.499 -3.555 -11.817 127 HD3 PRO 24 1HD PRO 24 -1.106 -5.221 -11.762 128 H TYR 25 H TYR 25 0.037 -2.283 -9.436 129 HA TYR 25 HA TYR 25 1.636 -1.680 -7.083 130 HB2 TYR 25 2HB TYR 25 1.170 -0.382 -9.734 131 HB3 TYR 25 1HB TYR 25 1.704 0.624 -8.393 132 HD1 TYR 25 2HD TYR 25 3.825 -0.186 -7.121 133 HD2 TYR 25 1HD TYR 25 2.740 -1.528 -11.012 134 HE1 TYR 25 2HE TYR 25 6.151 -0.873 -7.528 135 HE2 TYR 25 1HE TYR 25 5.062 -2.220 -11.427 136 HH TYR 25 HH TYR 25 7.296 -1.753 -10.633 137 H PHE 26 H PHE 26 -0.324 -1.950 -5.707 138 HA PHE 26 HA PHE 26 -2.078 0.405 -5.766 139 HB2 PHE 26 2HB PHE 26 -2.706 -2.276 -5.533 140 HB3 PHE 26 1HB PHE 26 -2.790 -1.705 -3.871 141 HD1 PHE 26 2HD PHE 26 -3.691 -0.031 -7.083 142 HD2 PHE 26 1HD PHE 26 -5.021 -1.527 -3.326 143 HE1 PHE 26 2HE PHE 26 -5.933 0.885 -7.514 144 HE2 PHE 26 1HE PHE 26 -7.265 -0.615 -3.753 145 HZ PHE 26 HZ PHE 26 -7.723 0.593 -5.849 146 H GLN 27 H GLN 27 -2.200 1.800 -4.078 147 HA GLN 27 HA GLN 27 -0.594 1.226 -1.679 148 HB2 GLN 27 2HB GLN 27 0.439 2.829 -3.472 149 HB3 GLN 27 1HB GLN 27 -0.706 3.995 -2.827 150 HG2 GLN 27 2HG GLN 27 0.709 2.707 -0.687 151 HG3 GLN 27 1HG GLN 27 1.841 3.374 -1.861 152 HE21 GLN 27 1HE2 GLN 27 -0.127 4.040 0.775 153 HE22 GLN 27 2HE2 GLN 27 -0.069 5.766 0.709 154 H LEU 28 H LEU 28 -2.179 0.962 -0.200 155 HA LEU 28 HA LEU 28 -4.563 2.576 -0.217 156 HB2 LEU 28 2HB LEU 28 -3.601 0.194 1.174 157 HB3 LEU 28 1HB LEU 28 -4.520 1.266 2.213 158 HG LEU 28 HG LEU 28 -5.884 -0.519 1.153 159 HD11 LEU 28 1HD1 LEU 28 -7.613 1.131 0.179 160 HD12 LEU 28 2HD1 LEU 28 -6.470 2.375 0.682 161 HD13 LEU 28 3HD1 LEU 28 -7.158 1.273 1.876 162 HD21 LEU 28 3HD2 LEU 28 -6.423 -0.376 -1.211 163 HD22 LEU 28 1HD2 LEU 28 -4.691 -0.616 -0.991 164 HD23 LEU 28 2HD2 LEU 28 -5.315 0.981 -1.401 165 H SER 29 H SER 29 -4.787 4.503 0.683 166 HA SER 29 HA SER 29 -2.966 5.266 2.877 167 HB2 SER 29 2HB SER 29 -3.956 6.842 0.512 168 HB3 SER 29 1HB SER 29 -3.425 7.660 1.980 169 HG SER 29 HG SER 29 -1.921 6.801 0.025 170 H ALA 30 H ALA 30 -3.806 6.586 4.546 171 HA ALA 30 HA ALA 30 -6.754 6.565 4.727 172 HB1 ALA 30 1HB ALA 30 -6.625 5.714 6.782 173 HB2 ALA 30 2HB ALA 30 -5.399 6.882 7.270 174 HB3 ALA 30 3HB ALA 30 -4.923 5.398 6.446 175 H SER 31 H SER 31 -3.836 8.449 5.370 176 HA SER 31 HA SER 31 -3.473 10.680 5.555 177 HB2 SER 31 2HB SER 31 -5.259 10.647 3.639 178 HB3 SER 31 1HB SER 31 -6.332 11.295 4.880 179 HG SER 31 HG SER 31 -5.284 13.134 4.841 180 H TRP 32 H TRP 32 -5.009 8.950 7.670 181 HA TRP 32 HA TRP 32 -5.957 11.179 9.336 182 HB2 TRP 32 2HB TRP 32 -7.019 8.582 8.826 183 HB3 TRP 32 1HB TRP 32 -6.543 8.645 10.519 184 HD1 TRP 32 HD TRP 32 -8.727 9.016 11.805 185 HE1 TRP 32 1HE TRP 32 -10.681 10.684 11.670 186 HE3 TRP 32 3HE TRP 32 -7.414 11.473 7.512 187 HZ2 TRP 32 2HZ TRP 32 -11.552 12.762 9.976 188 HZ3 TRP 32 3HZ TRP 32 -8.864 13.290 6.706 189 HH2 TRP 32 HH TRP 32 -10.891 13.919 7.913 190 H CYS 33 H CYS 33 -3.721 8.475 9.186 191 HA CYS 33 HA CYS 33 -2.679 9.130 11.845 192 HB2 CYS 33 2HB CYS 33 -1.371 7.013 11.580 193 HB3 CYS 33 1HB CYS 33 -3.115 6.780 11.531 194 HG CYS 33 HG CYS 33 -2.936 5.879 9.253 195 HA PRO 34 HA PRO 34 0.913 11.171 10.290 196 HB2 PRO 34 2HB PRO 34 2.837 10.338 12.026 197 HB3 PRO 34 1HB PRO 34 1.600 11.529 12.442 198 HG2 PRO 34 2HG PRO 34 1.706 8.606 13.068 199 HG3 PRO 34 1HG PRO 34 1.196 9.956 14.097 200 HD2 PRO 34 2HD PRO 34 -0.569 8.331 12.844 201 HD3 PRO 34 1HD PRO 34 -0.904 10.044 13.160 202 H ASP 35 H ASP 35 0.774 7.735 10.354 203 HA ASP 35 HA ASP 35 3.361 7.240 9.232 204 HB2 ASP 35 2HB ASP 35 0.895 5.556 9.612 205 HB3 ASP 35 1HB ASP 35 2.276 4.959 8.699 206 H CYS 36 H CYS 36 0.181 7.939 7.952 207 HA CYS 36 HA CYS 36 0.833 7.112 5.277 208 HB2 CYS 36 2HB CYS 36 -1.490 7.070 6.133 209 HB3 CYS 36 1HB CYS 36 -1.467 8.829 6.224 210 HG CYS 36 HG CYS 36 -1.116 7.449 3.465 211 H VAL 37 H VAL 37 0.388 10.260 6.893 212 HA VAL 37 HA VAL 37 0.871 11.939 4.753 213 HB VAL 37 HB VAL 37 1.709 13.619 6.373 214 HG11 VAL 37 1HG1 VAL 37 -0.772 12.093 7.147 215 HG12 VAL 37 2HG1 VAL 37 -0.656 13.461 6.038 216 HG13 VAL 37 3HG1 VAL 37 -0.361 13.694 7.761 217 HG21 VAL 37 3HG2 VAL 37 1.349 12.714 8.858 218 HG22 VAL 37 1HG2 VAL 37 2.913 12.662 8.044 219 HG23 VAL 37 2HG2 VAL 37 1.899 11.221 8.100 220 H TYR 38 H TYR 38 3.219 10.195 6.732 221 HA TYR 38 HA TYR 38 5.526 11.467 5.631 222 HB2 TYR 38 2HB TYR 38 5.500 10.294 7.835 223 HB3 TYR 38 1HB TYR 38 5.331 8.765 6.982 224 HD1 TYR 38 2HD TYR 38 7.582 11.748 7.123 225 HD2 TYR 38 1HD TYR 38 7.245 7.554 6.473 226 HE1 TYR 38 2HE TYR 38 10.028 11.582 6.955 227 HE2 TYR 38 1HE TYR 38 9.693 7.380 6.304 228 HH TYR 38 HH TYR 38 11.783 9.847 7.264 229 H ALA 39 H ALA 39 3.800 8.437 4.963 230 HA ALA 39 HA ALA 39 5.543 7.347 3.075 231 HB1 ALA 39 1HB ALA 39 3.940 5.846 3.727 232 HB2 ALA 39 2HB ALA 39 3.300 6.335 2.159 233 HB3 ALA 39 3HB ALA 39 2.636 7.030 3.638 234 H ASN 40 H ASN 40 2.992 9.762 2.688 235 HA ASN 40 HA ASN 40 3.120 9.801 -0.169 236 HB2 ASN 40 2HB ASN 40 1.708 11.339 1.936 237 HB3 ASN 40 1HB ASN 40 1.992 12.181 0.415 238 HD21 ASN 40 1HD2 ASN 40 0.534 9.349 1.880 239 HD22 ASN 40 2HD2 ASN 40 -0.605 9.050 0.617 240 H SER 41 H SER 41 4.706 11.510 2.443 241 HA SER 41 HA SER 41 5.763 13.651 0.989 242 HB2 SER 41 2HB SER 41 5.755 13.140 3.570 243 HB3 SER 41 1HB SER 41 7.325 12.414 3.225 244 HG SER 41 HG SER 41 7.957 14.430 2.323 245 H ILE 42 H ILE 42 7.023 10.394 1.591 246 HA ILE 42 HA ILE 42 9.520 10.780 0.319 247 HB ILE 42 HB ILE 42 8.045 8.158 0.591 248 HG12 ILE 42 2HG1 ILE 42 8.178 9.304 2.769 249 HG13 ILE 42 1HG1 ILE 42 9.210 7.882 2.729 250 HG21 ILE 42 1HG2 ILE 42 10.127 7.102 0.350 251 HG22 ILE 42 2HG2 ILE 42 11.015 8.605 0.597 252 HG23 ILE 42 3HG2 ILE 42 10.109 8.352 -0.894 253 HD11 ILE 42 3HD1 ILE 42 10.754 10.107 1.895 254 HD12 ILE 42 1HD1 ILE 42 10.931 9.118 3.343 255 HD13 ILE 42 2HD1 ILE 42 9.897 10.545 3.373 256 H TRP 43 H TRP 43 6.422 9.477 -0.845 257 HA TRP 43 HA TRP 43 7.324 8.823 -3.442 258 HB2 TRP 43 2HB TRP 43 4.738 8.992 -2.052 259 HB3 TRP 43 1HB TRP 43 4.648 9.319 -3.779 260 HD1 TRP 43 HD TRP 43 3.877 7.174 -4.940 261 HE1 TRP 43 1HE TRP 43 4.472 4.674 -4.786 262 HE3 TRP 43 3HE TRP 43 7.184 7.358 -1.042 263 HZ2 TRP 43 2HZ TRP 43 6.124 3.003 -3.222 264 HZ3 TRP 43 3HZ TRP 43 8.225 5.266 -0.279 265 HH2 TRP 43 HH TRP 43 7.705 3.134 -1.347 266 H ASN 44 H ASN 44 6.022 11.785 -2.041 267 HA ASN 44 HA ASN 44 5.622 13.173 -4.479 268 HB2 ASN 44 2HB ASN 44 4.875 13.691 -1.969 269 HB3 ASN 44 1HB ASN 44 6.323 14.690 -2.010 270 HD21 ASN 44 1HD2 ASN 44 3.454 13.983 -3.982 271 HD22 ASN 44 2HD2 ASN 44 3.181 15.617 -4.470 272 H LYS 45 H LYS 45 8.411 12.740 -2.385 273 HA LYS 45 HA LYS 45 10.001 14.718 -3.759 274 HB2 LYS 45 2HB LYS 45 10.132 13.734 -1.260 275 HB3 LYS 45 1HB LYS 45 11.300 12.675 -2.041 276 HG2 LYS 45 2HG LYS 45 12.484 14.710 -2.869 277 HG3 LYS 45 1HG LYS 45 11.380 15.681 -1.894 278 HD2 LYS 45 2HD LYS 45 13.270 15.437 -0.539 279 HD3 LYS 45 1HD LYS 45 12.146 14.226 0.078 280 HE2 LYS 45 2HE LYS 45 13.936 12.864 -0.095 281 HE3 LYS 45 1HE LYS 45 13.442 12.769 -1.785 282 HZ1 LYS 45 3HZ LYS 45 15.778 13.223 -1.661 283 HZ2 LYS 45 1HZ LYS 45 15.525 14.558 -0.652 284 HZ3 LYS 45 2HZ LYS 45 14.998 14.601 -2.257 285 H LEU 46 H LEU 46 9.545 11.236 -3.846 286 HA LEU 46 HA LEU 46 11.821 10.790 -5.552 287 HB2 LEU 46 2HB LEU 46 9.655 9.072 -4.421 288 HB3 LEU 46 1HB LEU 46 10.620 8.473 -5.756 289 HG LEU 46 HG LEU 46 11.806 9.436 -3.156 290 HD11 LEU 46 1HD1 LEU 46 10.234 7.393 -3.061 291 HD12 LEU 46 2HD1 LEU 46 11.839 7.263 -2.343 292 HD13 LEU 46 3HD1 LEU 46 11.523 6.559 -3.928 293 HD21 LEU 46 3HD2 LEU 46 13.591 9.468 -4.558 294 HD22 LEU 46 1HD2 LEU 46 12.867 8.321 -5.685 295 HD23 LEU 46 2HD2 LEU 46 13.600 7.742 -4.189 296 H ASN 47 H ASN 47 8.735 11.984 -6.109 297 HA ASN 47 HA ASN 47 7.403 12.239 -7.926 298 HB2 ASN 47 2HB ASN 47 9.503 13.405 -8.629 299 HB3 ASN 47 1HB ASN 47 9.991 11.926 -9.441 300 HD21 ASN 47 1HD2 ASN 47 10.037 13.628 -11.212 301 HD22 ASN 47 2HD2 ASN 47 8.591 13.806 -12.142 302 H VAL 48 H VAL 48 7.163 9.730 -7.037 303 HA VAL 48 HA VAL 48 7.065 8.126 -9.507 304 HB VAL 48 HB VAL 48 7.363 6.088 -8.117 305 HG11 VAL 48 1HG1 VAL 48 9.260 7.684 -9.178 306 HG12 VAL 48 2HG1 VAL 48 9.596 6.128 -8.418 307 HG13 VAL 48 3HG1 VAL 48 9.800 7.619 -7.501 308 HG21 VAL 48 3HG2 VAL 48 7.739 8.127 -5.949 309 HG22 VAL 48 1HG2 VAL 48 8.482 6.531 -5.840 310 HG23 VAL 48 2HG2 VAL 48 6.729 6.681 -5.952 311 H GLN 49 H GLN 49 5.015 9.858 -8.417 312 HA GLN 49 HA GLN 49 3.050 8.149 -7.160 313 HB2 GLN 49 2HB GLN 49 1.607 10.096 -7.158 314 HB3 GLN 49 1HB GLN 49 3.203 10.542 -6.573 315 HG2 GLN 49 2HG GLN 49 3.716 11.726 -8.511 316 HG3 GLN 49 1HG GLN 49 2.445 10.937 -9.443 317 HE21 GLN 49 1HE2 GLN 49 0.198 11.266 -8.230 318 HE22 GLN 49 2HE2 GLN 49 -0.157 12.919 -7.880 319 H ASP 50 H ASP 50 3.799 9.278 -10.377 320 HA ASP 50 HA ASP 50 1.260 8.554 -11.515 321 HB2 ASP 50 2HB ASP 50 2.430 8.949 -13.693 322 HB3 ASP 50 1HB ASP 50 2.513 10.309 -12.581 323 H LYS 51 H LYS 51 4.493 7.090 -11.394 324 HA LYS 51 HA LYS 51 3.904 4.881 -13.053 325 HB2 LYS 51 2HB LYS 51 6.039 5.476 -11.038 326 HB3 LYS 51 1HB LYS 51 5.897 3.853 -11.699 327 HG2 LYS 51 2HG LYS 51 5.808 5.423 -13.947 328 HG3 LYS 51 1HG LYS 51 6.945 6.287 -12.912 329 HD2 LYS 51 2HD LYS 51 7.428 3.430 -12.875 330 HD3 LYS 51 1HD LYS 51 7.486 4.078 -14.517 331 HE2 LYS 51 2HE LYS 51 9.069 5.812 -13.728 332 HE3 LYS 51 1HE LYS 51 9.063 5.054 -12.137 333 HZ1 LYS 51 3HZ LYS 51 10.486 4.300 -14.504 334 HZ2 LYS 51 1HZ LYS 51 9.629 3.002 -13.838 335 HZ3 LYS 51 2HZ LYS 51 10.751 3.846 -12.898 336 H VAL 52 H VAL 52 3.136 5.553 -9.752 337 HA VAL 52 HA VAL 52 2.327 2.760 -9.301 338 HB VAL 52 HB VAL 52 3.912 3.774 -7.650 339 HG11 VAL 52 1HG1 VAL 52 2.711 6.061 -7.870 340 HG12 VAL 52 2HG1 VAL 52 3.380 5.583 -6.310 341 HG13 VAL 52 3HG1 VAL 52 1.649 5.430 -6.612 342 HG21 VAL 52 3HG2 VAL 52 1.252 3.200 -6.363 343 HG22 VAL 52 1HG2 VAL 52 2.866 2.868 -5.734 344 HG23 VAL 52 2HG2 VAL 52 2.248 1.947 -7.104 345 H PHE 53 H PHE 53 0.249 2.499 -8.051 346 HA PHE 53 HA PHE 53 -1.658 4.625 -8.736 347 HB2 PHE 53 2HB PHE 53 -2.171 1.640 -8.714 348 HB3 PHE 53 1HB PHE 53 -3.370 2.883 -9.050 349 HD1 PHE 53 2HD PHE 53 -2.548 4.595 -10.973 350 HD2 PHE 53 1HD PHE 53 -1.300 0.549 -10.529 351 HE1 PHE 53 2HE PHE 53 -1.966 4.516 -13.362 352 HE2 PHE 53 1HE PHE 53 -0.716 0.464 -12.916 353 HZ PHE 53 HZ PHE 53 -1.048 2.449 -14.336 354 H VAL 54 H VAL 54 -2.207 5.607 -6.960 355 HA VAL 54 HA VAL 54 -2.256 4.210 -4.401 356 HB VAL 54 HB VAL 54 -2.727 7.148 -4.921 357 HG11 VAL 54 1HG1 VAL 54 -3.575 6.386 -2.773 358 HG12 VAL 54 2HG1 VAL 54 -2.151 7.401 -2.548 359 HG13 VAL 54 3HG1 VAL 54 -2.016 5.650 -2.401 360 HG21 VAL 54 3HG2 VAL 54 -0.517 7.556 -4.970 361 HG22 VAL 54 1HG2 VAL 54 -0.387 5.862 -5.447 362 HG23 VAL 54 2HG2 VAL 54 -0.160 6.323 -3.760 363 H PHE 55 H PHE 55 -4.043 4.060 -3.068 364 HA PHE 55 HA PHE 55 -6.635 4.854 -4.205 365 HB2 PHE 55 2HB PHE 55 -6.168 2.416 -4.569 366 HB3 PHE 55 1HB PHE 55 -6.109 2.219 -2.822 367 HD1 PHE 55 2HD PHE 55 -8.369 3.594 -5.457 368 HD2 PHE 55 1HD PHE 55 -8.016 1.547 -1.742 369 HE1 PHE 55 2HE PHE 55 -10.805 3.253 -5.419 370 HE2 PHE 55 1HE PHE 55 -10.451 1.200 -1.698 371 HZ PHE 55 HZ PHE 55 -11.849 2.054 -3.536 372 H ASP 56 H ASP 56 -6.995 6.538 -2.832 373 HA ASP 56 HA ASP 56 -6.541 6.324 0.001 374 HB2 ASP 56 2HB ASP 56 -7.456 8.436 -1.875 375 HB3 ASP 56 1HB ASP 56 -7.995 8.578 -0.205 376 H ILE 57 H ILE 57 -8.067 6.171 1.628 377 HA ILE 57 HA ILE 57 -10.649 5.077 0.775 378 HB ILE 57 HB ILE 57 -10.834 4.234 3.112 379 HG12 ILE 57 2HG1 ILE 57 -7.940 4.591 3.597 380 HG13 ILE 57 1HG1 ILE 57 -8.904 6.059 3.736 381 HG21 ILE 57 1HG2 ILE 57 -8.288 3.343 1.777 382 HG22 ILE 57 2HG2 ILE 57 -9.895 2.939 1.175 383 HG23 ILE 57 3HG2 ILE 57 -9.387 2.383 2.769 384 HD11 ILE 57 3HD1 ILE 57 -9.300 3.496 5.257 385 HD12 ILE 57 1HD1 ILE 57 -10.361 4.901 5.353 386 HD13 ILE 57 2HD1 ILE 57 -8.685 5.024 5.888 387 H GLY 58 H GLY 58 -11.068 7.487 0.301 388 HA2 GLY 58 2HA GLY 58 -12.097 8.819 2.726 389 HA3 GLY 58 1HA GLY 58 -11.626 9.652 1.255 390 H SER 59 H SER 59 -12.998 7.721 -0.504 391 HA SER 59 HA SER 59 -15.695 8.790 -0.148 392 HB2 SER 59 2HB SER 59 -14.561 7.351 -2.557 393 HB3 SER 59 1HB SER 59 -16.063 8.271 -2.479 394 HG SER 59 HG SER 59 -13.405 9.209 -2.426 395 H LEU 60 H LEU 60 -14.927 6.665 1.580 396 HA LEU 60 HA LEU 60 -16.994 4.745 0.859 397 HB2 LEU 60 2HB LEU 60 -15.651 2.808 1.233 398 HB3 LEU 60 1HB LEU 60 -14.861 3.801 0.028 399 HG LEU 60 HG LEU 60 -13.625 4.664 2.302 400 HD11 LEU 60 1HD1 LEU 60 -13.622 1.723 2.712 401 HD12 LEU 60 2HD1 LEU 60 -14.970 2.653 3.364 402 HD13 LEU 60 3HD1 LEU 60 -13.320 3.027 3.858 403 HD21 LEU 60 3HD2 LEU 60 -12.916 2.454 0.389 404 HD22 LEU 60 1HD2 LEU 60 -11.790 3.075 1.594 405 HD23 LEU 60 2HD2 LEU 60 -12.413 4.143 0.337 406 HA PRO 61 HA PRO 61 -17.880 5.720 5.148 407 HB2 PRO 61 2HB PRO 61 -19.963 3.651 4.756 408 HB3 PRO 61 1HB PRO 61 -20.138 5.334 5.267 409 HG2 PRO 61 2HG PRO 61 -20.889 4.544 2.830 410 HG3 PRO 61 1HG PRO 61 -20.127 6.128 3.083 411 HD2 PRO 61 2HD PRO 61 -18.931 3.591 2.031 412 HD3 PRO 61 1HD PRO 61 -18.705 5.260 1.464 413 H ARG 62 H ARG 62 -18.604 4.180 7.080 414 HA ARG 62 HA ARG 62 -16.422 2.559 7.711 415 HB2 ARG 62 2HB ARG 62 -17.932 3.575 9.386 416 HB3 ARG 62 1HB ARG 62 -19.193 2.444 8.920 417 HG2 ARG 62 2HG ARG 62 -18.418 1.224 10.632 418 HG3 ARG 62 1HG ARG 62 -17.162 0.737 9.493 419 HD2 ARG 62 2HD ARG 62 -15.725 1.481 11.040 420 HD3 ARG 62 1HD ARG 62 -16.166 3.089 10.474 421 HE ARG 62 HE ARG 62 -17.116 1.769 12.908 422 HH11 ARG 62 1HH1 ARG 62 -17.074 4.622 10.866 423 HH12 ARG 62 2HH1 ARG 62 -17.766 5.644 12.077 424 HH21 ARG 62 1HH2 ARG 62 -18.033 3.130 14.490 425 HH22 ARG 62 2HH2 ARG 62 -18.309 4.799 14.130 426 H ASN 63 H ASN 63 -19.469 1.752 6.165 427 HA ASN 63 HA ASN 63 -19.495 -1.007 6.477 428 HB2 ASN 63 2HB ASN 63 -21.040 0.807 5.114 429 HB3 ASN 63 1HB ASN 63 -20.308 -0.108 3.800 430 HD21 ASN 63 1HD2 ASN 63 -22.513 -0.787 3.377 431 HD22 ASN 63 2HD2 ASN 63 -23.172 -2.114 4.263 432 H GLU 64 H GLU 64 -17.777 0.952 4.062 433 HA GLU 64 HA GLU 64 -16.720 -1.357 2.713 434 HB2 GLU 64 2HB GLU 64 -16.386 1.598 2.467 435 HB3 GLU 64 1HB GLU 64 -15.147 0.561 1.773 436 HG2 GLU 64 2HG GLU 64 -18.070 0.290 1.139 437 HG3 GLU 64 1HG GLU 64 -16.953 1.285 0.204 438 H GLN 65 H GLN 65 -15.655 0.818 5.255 439 HA GLN 65 HA GLN 65 -12.933 0.294 5.308 440 HB2 GLN 65 2HB GLN 65 -14.940 1.210 7.273 441 HB3 GLN 65 1HB GLN 65 -13.485 0.505 7.962 442 HG2 GLN 65 2HG GLN 65 -12.128 2.173 7.162 443 HG3 GLN 65 1HG GLN 65 -13.222 2.573 5.840 444 HE21 GLN 65 1HE2 GLN 65 -13.429 4.719 6.220 445 HE22 GLN 65 2HE2 GLN 65 -14.147 5.382 7.644 446 H GLU 66 H GLU 66 -15.538 -1.474 7.010 447 HA GLU 66 HA GLU 66 -13.839 -3.395 8.185 448 HB2 GLU 66 2HB GLU 66 -15.930 -4.773 8.423 449 HB3 GLU 66 1HB GLU 66 -16.022 -3.155 9.100 450 HG2 GLU 66 2HG GLU 66 -17.482 -2.414 7.473 451 HG3 GLU 66 1HG GLU 66 -17.010 -3.667 6.329 452 H LYS 67 H LYS 67 -15.616 -3.379 5.121 453 HA LYS 67 HA LYS 67 -15.129 -6.009 4.325 454 HB2 LYS 67 2HB LYS 67 -16.520 -3.988 3.258 455 HB3 LYS 67 1HB LYS 67 -15.090 -3.883 2.244 456 HG2 LYS 67 2HG LYS 67 -15.517 -5.855 1.196 457 HG3 LYS 67 1HG LYS 67 -16.322 -6.557 2.601 458 HD2 LYS 67 2HD LYS 67 -18.286 -6.070 1.678 459 HD3 LYS 67 1HD LYS 67 -17.885 -4.355 1.796 460 HE2 LYS 67 2HE LYS 67 -16.494 -4.994 -0.410 461 HE3 LYS 67 1HE LYS 67 -17.796 -6.174 -0.533 462 HZ1 LYS 67 3HZ LYS 67 -19.264 -4.089 -0.058 463 HZ2 LYS 67 1HZ LYS 67 -18.698 -4.399 -1.624 464 HZ3 LYS 67 2HZ LYS 67 -17.922 -3.246 -0.656 465 H TRP 68 H TRP 68 -13.129 -3.110 3.995 466 HA TRP 68 HA TRP 68 -11.136 -4.376 2.388 467 HB2 TRP 68 2HB TRP 68 -11.327 -1.765 3.848 468 HB3 TRP 68 1HB TRP 68 -9.771 -2.301 3.218 469 HD1 TRP 68 HD TRP 68 -12.520 -0.198 2.232 470 HE1 TRP 68 1HE TRP 68 -12.660 0.077 -0.324 471 HE3 TRP 68 3HE TRP 68 -9.461 -4.048 0.831 472 HZ2 TRP 68 2HZ TRP 68 -11.613 -1.172 -2.628 473 HZ3 TRP 68 3HZ TRP 68 -9.082 -4.441 -1.568 474 HH2 TRP 68 HH TRP 68 -10.138 -3.031 -3.261 475 H ARG 69 H ARG 69 -11.399 -3.614 5.854 476 HA ARG 69 HA ARG 69 -8.847 -4.406 6.637 477 HB2 ARG 69 2HB ARG 69 -11.472 -4.466 8.119 478 HB3 ARG 69 1HB ARG 69 -9.946 -4.899 8.879 479 HG2 ARG 69 2HG ARG 69 -9.078 -2.646 8.268 480 HG3 ARG 69 1HG ARG 69 -10.695 -2.235 7.700 481 HD2 ARG 69 2HD ARG 69 -11.048 -3.303 10.263 482 HD3 ARG 69 1HD ARG 69 -9.638 -2.251 10.378 483 HE ARG 69 HE ARG 69 -11.880 -1.060 9.018 484 HH11 ARG 69 1HH1 ARG 69 -10.372 -1.610 12.132 485 HH12 ARG 69 2HH1 ARG 69 -11.132 -0.247 12.879 486 HH21 ARG 69 1HH2 ARG 69 -12.884 0.735 10.015 487 HH22 ARG 69 2HH2 ARG 69 -12.556 1.081 11.680 488 H ILE 70 H ILE 70 -11.753 -6.370 6.131 489 HA ILE 70 HA ILE 70 -10.641 -8.782 7.155 490 HB ILE 70 HB ILE 70 -12.885 -8.521 5.148 491 HG12 ILE 70 2HG1 ILE 70 -13.395 -8.932 8.057 492 HG13 ILE 70 1HG1 ILE 70 -12.967 -7.310 7.527 493 HG21 ILE 70 1HG2 ILE 70 -11.595 -10.777 5.913 494 HG22 ILE 70 2HG2 ILE 70 -13.280 -10.718 5.397 495 HG23 ILE 70 3HG2 ILE 70 -12.883 -10.703 7.115 496 HD11 ILE 70 3HD1 ILE 70 -15.351 -7.526 7.599 497 HD12 ILE 70 1HD1 ILE 70 -15.293 -8.961 6.574 498 HD13 ILE 70 2HD1 ILE 70 -14.837 -7.387 5.918 499 H ALA 71 H ALA 71 -11.172 -7.635 3.812 500 HA ALA 71 HA ALA 71 -10.011 -9.797 2.490 501 HB1 ALA 71 1HB ALA 71 -9.456 -7.825 0.763 502 HB2 ALA 71 2HB ALA 71 -10.638 -6.999 1.780 503 HB3 ALA 71 3HB ALA 71 -11.070 -8.505 0.970 504 H PHE 72 H PHE 72 -8.487 -6.671 3.327 505 HA PHE 72 HA PHE 72 -5.924 -7.265 2.417 506 HB2 PHE 72 2HB PHE 72 -7.129 -5.269 4.190 507 HB3 PHE 72 1HB PHE 72 -5.455 -5.636 4.588 508 HD1 PHE 72 2HD PHE 72 -7.710 -4.294 2.022 509 HD2 PHE 72 1HD PHE 72 -3.661 -5.023 3.119 510 HE1 PHE 72 2HE PHE 72 -6.956 -2.811 0.208 511 HE2 PHE 72 1HE PHE 72 -2.901 -3.541 1.308 512 HZ PHE 72 HZ PHE 72 -4.547 -2.434 -0.150 513 H GLN 73 H GLN 73 -7.470 -8.088 5.489 514 HA GLN 73 HA GLN 73 -5.113 -8.952 6.808 515 HB2 GLN 73 2HB GLN 73 -7.993 -9.042 7.311 516 HB3 GLN 73 1HB GLN 73 -7.142 -10.449 7.927 517 HG2 GLN 73 2HG GLN 73 -5.739 -8.006 8.567 518 HG3 GLN 73 1HG GLN 73 -7.399 -7.978 9.159 519 HE21 GLN 73 1HE2 GLN 73 -4.914 -10.513 8.867 520 HE22 GLN 73 2HE2 GLN 73 -4.993 -11.011 10.519 521 H LYS 74 H LYS 74 -7.417 -10.583 4.683 522 HA LYS 74 HA LYS 74 -6.227 -13.176 5.106 523 HB2 LYS 74 2HB LYS 74 -8.673 -12.272 4.184 524 HB3 LYS 74 1HB LYS 74 -7.901 -12.897 2.740 525 HG2 LYS 74 2HG LYS 74 -7.382 -14.942 4.343 526 HG3 LYS 74 1HG LYS 74 -8.805 -14.323 5.180 527 HD2 LYS 74 2HD LYS 74 -10.186 -15.101 3.604 528 HD3 LYS 74 1HD LYS 74 -9.189 -14.453 2.300 529 HE2 LYS 74 2HE LYS 74 -7.637 -16.414 2.687 530 HE3 LYS 74 1HE LYS 74 -8.887 -17.085 3.733 531 HZ1 LYS 74 3HZ LYS 74 -8.884 -16.747 0.821 532 HZ2 LYS 74 1HZ LYS 74 -10.365 -16.662 1.634 533 HZ3 LYS 74 2HZ LYS 74 -9.413 -18.055 1.751 534 H VAL 75 H VAL 75 -5.895 -10.547 2.826 535 HA VAL 75 HA VAL 75 -4.469 -12.120 0.880 536 HB VAL 75 HB VAL 75 -4.689 -9.109 1.044 537 HG11 VAL 75 1HG1 VAL 75 -4.387 -10.441 -1.557 538 HG12 VAL 75 2HG1 VAL 75 -2.984 -10.558 -0.494 539 HG13 VAL 75 3HG1 VAL 75 -3.627 -8.975 -0.934 540 HG21 VAL 75 3HG2 VAL 75 -6.737 -9.180 0.136 541 HG22 VAL 75 1HG2 VAL 75 -6.780 -10.849 0.704 542 HG23 VAL 75 2HG2 VAL 75 -6.307 -10.497 -0.956 543 H VAL 76 H VAL 76 -3.605 -9.594 3.252 544 HA VAL 76 HA VAL 76 -0.825 -10.521 3.019 545 HB VAL 76 HB VAL 76 -0.121 -8.197 3.692 546 HG11 VAL 76 1HG1 VAL 76 0.303 -8.761 1.476 547 HG12 VAL 76 2HG1 VAL 76 -0.618 -7.261 1.347 548 HG13 VAL 76 3HG1 VAL 76 -1.409 -8.811 1.058 549 HG21 VAL 76 3HG2 VAL 76 -1.658 -6.361 3.303 550 HG22 VAL 76 1HG2 VAL 76 -2.303 -7.439 4.539 551 HG23 VAL 76 2HG2 VAL 76 -2.947 -7.495 2.898 552 H GLY 77 H GLY 77 -3.277 -9.177 5.202 553 HA2 GLY 77 2HA GLY 77 -3.576 -9.993 7.414 554 HA3 GLY 77 1HA GLY 77 -1.899 -10.512 7.423 555 H SER 78 H SER 78 -3.244 -7.339 6.557 556 HA SER 78 HA SER 78 -1.778 -6.190 8.837 557 HB2 SER 78 2HB SER 78 -1.979 -5.251 5.985 558 HB3 SER 78 1HB SER 78 -1.639 -4.111 7.287 559 HG SER 78 HG SER 78 0.177 -5.291 6.106 560 H ARG 79 H ARG 79 -3.261 -5.620 10.293 561 HA ARG 79 HA ARG 79 -5.843 -4.578 9.392 562 HB2 ARG 79 2HB ARG 79 -6.484 -4.788 11.803 563 HB3 ARG 79 1HB ARG 79 -6.033 -6.303 11.038 564 HG2 ARG 79 2HG ARG 79 -3.760 -5.022 12.290 565 HG3 ARG 79 1HG ARG 79 -5.076 -5.298 13.432 566 HD2 ARG 79 2HD ARG 79 -5.165 -7.669 12.492 567 HD3 ARG 79 1HD ARG 79 -3.608 -7.309 11.747 568 HE ARG 79 HE ARG 79 -3.199 -6.655 14.331 569 HH11 ARG 79 1HH1 ARG 79 -4.478 -9.536 12.801 570 HH12 ARG 79 2HH1 ARG 79 -3.913 -10.596 14.048 571 HH21 ARG 79 1HH2 ARG 79 -2.459 -8.059 15.968 572 HH22 ARG 79 2HH2 ARG 79 -2.768 -9.757 15.845 573 H ASN 80 H ASN 80 -3.602 -2.915 8.989 574 HA ASN 80 HA ASN 80 -4.473 -0.572 10.458 575 HB2 ASN 80 2HB ASN 80 -2.500 -1.821 11.688 576 HB3 ASN 80 1HB ASN 80 -1.513 -1.040 10.459 577 HD21 ASN 80 1HD2 ASN 80 -4.356 0.014 12.328 578 HD22 ASN 80 2HD2 ASN 80 -3.609 1.436 12.965 579 H LEU 81 H LEU 81 -3.537 1.443 9.575 580 HA LEU 81 HA LEU 81 -2.646 1.122 6.779 581 HB2 LEU 81 2HB LEU 81 -4.491 3.249 7.880 582 HB3 LEU 81 1HB LEU 81 -3.920 3.151 6.225 583 HG LEU 81 HG LEU 81 -5.521 0.929 7.467 584 HD11 LEU 81 1HD1 LEU 81 -6.669 3.218 7.548 585 HD12 LEU 81 2HD1 LEU 81 -7.532 1.886 6.779 586 HD13 LEU 81 3HD1 LEU 81 -6.725 3.102 5.789 587 HD21 LEU 81 3HD2 LEU 81 -6.135 0.830 4.911 588 HD22 LEU 81 1HD2 LEU 81 -4.648 0.104 5.520 589 HD23 LEU 81 2HD2 LEU 81 -4.601 1.683 4.737 590 HA PRO 82 HA PRO 82 -2.339 2.863 5.164 591 HB2 PRO 82 2HB PRO 82 -0.157 3.444 3.723 592 HB3 PRO 82 1HB PRO 82 -1.151 4.714 4.447 593 HG2 PRO 82 2HG PRO 82 1.426 3.539 5.431 594 HG3 PRO 82 1HG PRO 82 0.939 5.242 5.340 595 HD2 PRO 82 2HD PRO 82 0.809 3.769 7.631 596 HD3 PRO 82 1HD PRO 82 -0.281 5.125 7.282 597 H THR 83 H THR 83 -1.449 1.550 3.236 598 HA THR 83 HA THR 83 0.355 -0.604 4.024 599 HB THR 83 HB THR 83 -1.295 -2.306 3.126 600 HG1 THR 83 1HG THR 83 -3.146 -0.198 3.544 601 HG21 THR 83 3HG2 THR 83 -2.143 -0.847 5.614 602 HG22 THR 83 1HG2 THR 83 -0.937 -2.129 5.520 603 HG23 THR 83 2HG2 THR 83 -2.625 -2.478 5.151 604 H ILE 84 H ILE 84 1.798 -0.787 2.440 605 HA ILE 84 HA ILE 84 0.998 -0.088 -0.303 606 HB ILE 84 HB ILE 84 3.811 -0.418 0.737 607 HG12 ILE 84 2HG1 ILE 84 2.413 2.212 0.252 608 HG13 ILE 84 1HG1 ILE 84 2.441 1.446 1.838 609 HG21 ILE 84 1HG2 ILE 84 4.141 -0.505 -1.492 610 HG22 ILE 84 2HG2 ILE 84 3.991 1.247 -1.370 611 HG23 ILE 84 3HG2 ILE 84 2.604 0.275 -1.862 612 HD11 ILE 84 3HD1 ILE 84 4.692 2.624 0.271 613 HD12 ILE 84 1HD1 ILE 84 4.999 1.412 1.514 614 HD13 ILE 84 2HD1 ILE 84 4.205 2.929 1.938 615 H VAL 85 H VAL 85 0.536 -1.738 -1.601 616 HA VAL 85 HA VAL 85 1.954 -4.291 -1.200 617 HB VAL 85 HB VAL 85 -0.023 -5.342 -2.376 618 HG11 VAL 85 1HG1 VAL 85 -1.361 -5.466 -0.360 619 HG12 VAL 85 2HG1 VAL 85 -0.587 -4.014 0.272 620 HG13 VAL 85 3HG1 VAL 85 0.354 -5.490 0.049 621 HG21 VAL 85 3HG2 VAL 85 -1.895 -4.192 -2.913 622 HG22 VAL 85 1HG2 VAL 85 -0.774 -2.835 -2.998 623 HG23 VAL 85 2HG2 VAL 85 -1.741 -3.088 -1.547 624 H VAL 86 H VAL 86 3.205 -4.996 -2.800 625 HA VAL 86 HA VAL 86 2.829 -3.853 -5.495 626 HB VAL 86 HB VAL 86 5.476 -4.726 -4.324 627 HG11 VAL 86 1HG1 VAL 86 6.067 -3.013 -6.319 628 HG12 VAL 86 2HG1 VAL 86 4.576 -3.713 -6.946 629 HG13 VAL 86 3HG1 VAL 86 5.934 -4.757 -6.534 630 HG21 VAL 86 3HG2 VAL 86 4.030 -2.153 -4.144 631 HG22 VAL 86 1HG2 VAL 86 5.746 -2.064 -4.546 632 HG23 VAL 86 2HG2 VAL 86 5.229 -2.862 -3.062 633 H ASN 87 H ASN 87 2.543 -5.265 -7.111 634 HA ASN 87 HA ASN 87 2.276 -7.212 -8.250 635 HB2 ASN 87 2HB ASN 87 4.673 -7.972 -6.573 636 HB3 ASN 87 1HB ASN 87 4.003 -9.018 -7.820 637 HD21 ASN 87 1HD2 ASN 87 6.271 -6.707 -7.188 638 HD22 ASN 87 2HD2 ASN 87 6.583 -6.170 -8.799 639 H GLY 88 H GLY 88 0.686 -6.789 -5.902 640 HA2 GLY 88 2HA GLY 88 -0.902 -7.942 -4.706 641 HA3 GLY 88 1HA GLY 88 -0.440 -9.374 -5.611 642 H LYS 89 H LYS 89 1.799 -7.527 -3.630 643 HA LYS 89 HA LYS 89 1.609 -9.371 -1.427 644 HB2 LYS 89 2HB LYS 89 4.348 -9.045 -2.587 645 HB3 LYS 89 1HB LYS 89 3.720 -10.312 -1.548 646 HG2 LYS 89 2HG LYS 89 2.301 -11.011 -3.553 647 HG3 LYS 89 1HG LYS 89 3.358 -9.969 -4.502 648 HD2 LYS 89 2HD LYS 89 5.275 -11.259 -3.934 649 HD3 LYS 89 1HD LYS 89 4.381 -12.164 -2.711 650 HE2 LYS 89 2HE LYS 89 3.293 -12.283 -5.451 651 HE3 LYS 89 1HE LYS 89 4.856 -13.063 -5.215 652 HZ1 LYS 89 3HZ LYS 89 3.796 -14.245 -3.284 653 HZ2 LYS 89 1HZ LYS 89 3.223 -14.693 -4.812 654 HZ3 LYS 89 2HZ LYS 89 2.304 -13.665 -3.833 655 H PHE 90 H PHE 90 2.079 -8.413 0.413 656 HA PHE 90 HA PHE 90 2.393 -5.642 0.614 657 HB2 PHE 90 2HB PHE 90 1.526 -7.394 2.350 658 HB3 PHE 90 1HB PHE 90 3.209 -7.459 2.859 659 HD1 PHE 90 1HD PHE 90 0.993 -4.631 1.813 660 HD2 PHE 90 2HD PHE 90 3.440 -6.346 4.845 661 HE1 PHE 90 1HE PHE 90 0.636 -2.646 3.220 662 HE2 PHE 90 2HE PHE 90 3.086 -4.364 6.255 663 HZ PHE 90 HZ PHE 90 1.682 -2.510 5.445 664 H TRP 91 H TRP 91 4.138 -4.675 -0.257 665 HA TRP 91 HA TRP 91 6.796 -5.704 0.456 666 HB2 TRP 91 2HB TRP 91 5.695 -4.680 -1.993 667 HB3 TRP 91 1HB TRP 91 7.057 -3.683 -1.497 668 HD1 TRP 91 HD TRP 91 6.459 -6.479 -3.637 669 HE1 TRP 91 1HE TRP 91 8.542 -7.961 -3.932 670 HE3 TRP 91 3HE TRP 91 9.234 -4.784 0.311 671 HZ2 TRP 91 2HZ TRP 91 11.032 -8.360 -2.662 672 HZ3 TRP 91 3HZ TRP 91 11.452 -5.771 0.700 673 HH2 TRP 91 HH TRP 91 12.331 -7.521 -0.755 674 H GLY 92 H GLY 92 4.658 -2.991 0.896 675 HA2 GLY 92 2HA GLY 92 6.843 -1.618 2.342 676 HA3 GLY 92 1HA GLY 92 5.709 -0.727 1.345 677 H THR 93 H THR 93 6.399 -0.780 4.311 678 HA THR 93 HA THR 93 3.622 -1.017 5.280 679 HB THR 93 HB THR 93 5.822 -1.313 7.244 680 HG1 THR 93 1HG THR 93 5.176 -3.348 5.378 681 HG21 THR 93 3HG2 THR 93 4.140 -3.368 7.673 682 HG22 THR 93 1HG2 THR 93 3.047 -2.195 6.942 683 HG23 THR 93 2HG2 THR 93 3.962 -1.767 8.387 684 H GLU 94 H GLU 94 3.508 0.193 7.554 685 HA GLU 94 HA GLU 94 3.926 2.945 6.984 686 HB2 GLU 94 2HB GLU 94 3.117 3.291 9.343 687 HB3 GLU 94 1HB GLU 94 2.024 2.405 8.296 688 HG2 GLU 94 2HG GLU 94 3.805 0.640 9.754 689 HG3 GLU 94 1HG GLU 94 2.854 1.669 10.823 690 H SER 95 H SER 95 5.620 0.601 9.007 691 HA SER 95 HA SER 95 7.502 2.669 9.875 692 HB2 SER 95 2HB SER 95 6.431 0.908 11.448 693 HB3 SER 95 1HB SER 95 7.602 -0.207 10.744 694 HG SER 95 HG SER 95 9.248 1.289 11.409 695 H GLN 96 H GLN 96 7.277 0.014 7.648 696 HA GLN 96 HA GLN 96 9.943 -0.748 7.434 697 HB2 GLN 96 2HB GLN 96 7.757 -1.633 6.259 698 HB3 GLN 96 1HB GLN 96 8.275 -0.561 4.965 699 HG2 GLN 96 2HG GLN 96 10.534 -1.747 5.140 700 HG3 GLN 96 1HG GLN 96 9.672 -2.962 6.081 701 HE21 GLN 96 1HE2 GLN 96 7.531 -3.636 4.972 702 HE22 GLN 96 2HE2 GLN 96 7.669 -4.016 3.293 703 H LEU 97 H LEU 97 8.309 2.078 6.151 704 HA LEU 97 HA LEU 97 10.202 2.867 4.238 705 HB2 LEU 97 2HB LEU 97 8.586 4.770 5.927 706 HB3 LEU 97 1HB LEU 97 9.191 5.024 4.301 707 HG LEU 97 HG LEU 97 7.083 2.980 4.997 708 HD11 LEU 97 1HD1 LEU 97 5.420 4.482 4.594 709 HD12 LEU 97 2HD1 LEU 97 6.423 5.481 3.543 710 HD13 LEU 97 3HD1 LEU 97 6.619 5.570 5.293 711 HD21 LEU 97 3HD2 LEU 97 6.680 3.351 2.454 712 HD22 LEU 97 1HD2 LEU 97 7.992 2.298 2.984 713 HD23 LEU 97 2HD2 LEU 97 8.339 3.947 2.463 714 H HIS 98 H HIS 98 9.978 3.601 7.702 715 HA HIS 98 HA HIS 98 12.166 5.378 7.801 716 HB2 HIS 98 2HB HIS 98 10.256 4.688 9.569 717 HB3 HIS 98 1HB HIS 98 11.591 3.732 10.202 718 HD1 HIS 98 1HD HIS 98 13.924 5.662 9.862 719 HD2 HIS 98 2HD HIS 98 10.176 6.811 11.246 720 HE1 HIS 98 1HE HIS 98 14.310 7.768 11.185 721 HE2 HIS 98 2HE HIS 98 12.014 8.503 11.913 722 H ARG 99 H ARG 99 11.978 1.916 8.694 723 HA ARG 99 HA ARG 99 14.673 1.602 9.333 724 HB2 ARG 99 2HB ARG 99 14.260 -0.829 8.962 725 HB3 ARG 99 1HB ARG 99 13.103 -0.057 10.028 726 HG2 ARG 99 2HG ARG 99 11.511 0.079 8.154 727 HG3 ARG 99 1HG ARG 99 12.673 -0.772 7.136 728 HD2 ARG 99 2HD ARG 99 12.443 -2.333 9.435 729 HD3 ARG 99 1HD ARG 99 10.799 -1.815 9.067 730 HE ARG 99 HE ARG 99 12.150 -2.767 6.748 731 HH11 ARG 99 1HH1 ARG 99 10.464 -3.832 9.626 732 HH12 ARG 99 2HH1 ARG 99 9.976 -5.339 8.930 733 HH21 ARG 99 1HH2 ARG 99 11.504 -4.752 5.836 734 HH22 ARG 99 2HH2 ARG 99 10.566 -5.862 6.779 735 H PHE 100 H PHE 100 13.009 1.198 6.235 736 HA PHE 100 HA PHE 100 15.217 0.165 4.807 737 HB2 PHE 100 2HB PHE 100 12.569 1.283 4.120 738 HB3 PHE 100 1HB PHE 100 13.795 1.422 2.866 739 HD1 PHE 100 2HD PHE 100 13.382 -1.329 5.328 740 HD2 PHE 100 1HD PHE 100 13.049 -0.097 1.268 741 HE1 PHE 100 2HE PHE 100 12.967 -3.659 4.657 742 HE2 PHE 100 1HE PHE 100 12.631 -2.423 0.592 743 HZ PHE 100 HZ PHE 100 12.590 -4.209 2.287 744 H GLU 101 H GLU 101 14.031 3.473 5.292 745 HA GLU 101 HA GLU 101 15.853 4.763 3.580 746 HB2 GLU 101 2HB GLU 101 13.719 5.572 5.058 747 HB3 GLU 101 1HB GLU 101 15.041 6.228 6.009 748 HG2 GLU 101 2HG GLU 101 15.727 7.649 4.323 749 HG3 GLU 101 1HG GLU 101 14.954 6.688 3.062 750 H ALA 102 H ALA 102 16.016 3.891 6.995 751 HA ALA 102 HA ALA 102 18.468 5.183 7.570 752 HB1 ALA 102 1HB ALA 102 16.780 4.372 9.252 753 HB2 ALA 102 2HB ALA 102 18.459 3.984 9.622 754 HB3 ALA 102 3HB ALA 102 17.390 2.742 8.968 755 H LYS 103 H LYS 103 17.668 1.917 6.454 756 HA LYS 103 HA LYS 103 20.348 0.944 6.595 757 HB2 LYS 103 2HB LYS 103 17.799 -0.057 5.374 758 HB3 LYS 103 1HB LYS 103 19.324 -0.855 5.026 759 HG2 LYS 103 2HG LYS 103 19.509 -0.799 7.676 760 HG3 LYS 103 1HG LYS 103 17.750 -0.773 7.528 761 HD2 LYS 103 2HD LYS 103 19.078 -2.728 5.792 762 HD3 LYS 103 1HD LYS 103 19.296 -3.024 7.518 763 HE2 LYS 103 2HE LYS 103 16.726 -2.609 7.630 764 HE3 LYS 103 1HE LYS 103 16.779 -2.965 5.904 765 HZ1 LYS 103 3HZ LYS 103 16.411 -5.026 6.815 766 HZ2 LYS 103 1HZ LYS 103 17.368 -4.734 8.180 767 HZ3 LYS 103 2HZ LYS 103 18.097 -5.036 6.684 768 H GLY 104 H GLY 104 18.472 2.652 4.200 769 HA2 GLY 104 2HA GLY 104 19.364 3.820 2.374 770 HA3 GLY 104 1HA GLY 104 20.849 2.895 2.534 771 H THR 105 H THR 105 17.797 1.223 2.508 772 HA THR 105 HA THR 105 18.379 0.297 -0.231 773 HB THR 105 HB THR 105 17.252 -1.835 0.439 774 HG1 THR 105 1HG THR 105 16.132 -1.624 2.212 775 HG21 THR 105 3HG2 THR 105 19.697 -1.677 0.499 776 HG22 THR 105 1HG2 THR 105 19.062 -2.749 1.747 777 HG23 THR 105 2HG2 THR 105 19.607 -1.127 2.172 778 H LEU 106 H LEU 106 16.430 2.412 1.111 779 HA LEU 106 HA LEU 106 13.817 1.532 0.446 780 HB2 LEU 106 2HB LEU 106 14.635 3.542 1.924 781 HB3 LEU 106 1HB LEU 106 14.582 4.427 0.410 782 HG LEU 106 HG LEU 106 12.118 3.187 0.471 783 HD11 LEU 106 1HD1 LEU 106 13.104 3.537 3.216 784 HD12 LEU 106 2HD1 LEU 106 11.830 2.494 2.587 785 HD13 LEU 106 3HD1 LEU 106 11.501 4.198 2.896 786 HD21 LEU 106 3HD2 LEU 106 11.255 5.341 0.603 787 HD22 LEU 106 1HD2 LEU 106 12.872 5.590 -0.057 788 HD23 LEU 106 2HD2 LEU 106 12.558 5.905 1.650 789 H GLU 107 H GLU 107 16.096 3.700 -1.240 790 HA GLU 107 HA GLU 107 14.492 3.991 -3.564 791 HB2 GLU 107 2HB GLU 107 16.536 5.395 -2.680 792 HB3 GLU 107 1HB GLU 107 17.469 4.277 -3.666 793 HG2 GLU 107 2HG GLU 107 16.424 4.985 -5.647 794 HG3 GLU 107 1HG GLU 107 15.139 5.809 -4.769 795 H GLU 108 H GLU 108 17.321 1.944 -2.841 796 HA GLU 108 HA GLU 108 17.649 0.733 -5.307 797 HB2 GLU 108 2HB GLU 108 18.981 0.487 -3.049 798 HB3 GLU 108 1HB GLU 108 17.943 -0.916 -2.827 799 HG2 GLU 108 2HG GLU 108 19.345 -0.639 -5.423 800 HG3 GLU 108 1HG GLU 108 20.304 -1.073 -4.008 801 H GLU 109 H GLU 109 15.653 -0.452 -2.586 802 HA GLU 109 HA GLU 109 14.604 -2.699 -3.859 803 HB2 GLU 109 2HB GLU 109 14.374 -1.807 -1.384 804 HB3 GLU 109 1HB GLU 109 12.874 -1.125 -1.998 805 HG2 GLU 109 2HG GLU 109 12.133 -3.136 -1.217 806 HG3 GLU 109 1HG GLU 109 12.490 -3.556 -2.891 807 H LEU 110 H LEU 110 13.457 0.660 -3.864 808 HA LEU 110 HA LEU 110 11.058 0.208 -5.259 809 HB2 LEU 110 2HB LEU 110 12.783 2.590 -4.757 810 HB3 LEU 110 1HB LEU 110 11.511 2.709 -5.956 811 HG LEU 110 HG LEU 110 10.799 1.666 -3.257 812 HD11 LEU 110 1HD1 LEU 110 10.863 4.618 -3.746 813 HD12 LEU 110 2HD1 LEU 110 12.256 3.783 -3.059 814 HD13 LEU 110 3HD1 LEU 110 10.703 3.741 -2.226 815 HD21 LEU 110 3HD2 LEU 110 9.260 3.625 -4.906 816 HD22 LEU 110 1HD2 LEU 110 8.676 2.403 -3.778 817 HD23 LEU 110 2HD2 LEU 110 9.291 1.922 -5.359 818 H THR 111 H THR 111 14.354 0.838 -6.387 819 HA THR 111 HA THR 111 13.608 1.071 -9.143 820 HB THR 111 HB THR 111 16.375 0.284 -8.309 821 HG1 THR 111 1HG THR 111 15.213 2.832 -7.872 822 HG21 THR 111 3HG2 THR 111 15.220 1.323 -10.654 823 HG22 THR 111 1HG2 THR 111 16.918 0.991 -10.322 824 HG23 THR 111 2HG2 THR 111 16.247 2.584 -9.970 825 H LYS 112 H LYS 112 14.684 -1.551 -7.045 826 HA LYS 112 HA LYS 112 15.157 -3.458 -9.081 827 HB2 LYS 112 2HB LYS 112 15.625 -3.386 -6.414 828 HB3 LYS 112 1HB LYS 112 14.225 -4.452 -6.454 829 HG2 LYS 112 2HG LYS 112 15.462 -5.831 -8.159 830 HG3 LYS 112 1HG LYS 112 16.882 -4.842 -7.810 831 HD2 LYS 112 2HD LYS 112 16.645 -5.483 -5.407 832 HD3 LYS 112 1HD LYS 112 15.361 -6.596 -5.883 833 HE2 LYS 112 2HE LYS 112 17.019 -8.095 -6.075 834 HE3 LYS 112 1HE LYS 112 17.350 -7.291 -7.608 835 HZ1 LYS 112 3HZ LYS 112 18.954 -5.872 -6.452 836 HZ2 LYS 112 1HZ LYS 112 19.361 -7.510 -6.317 837 HZ3 LYS 112 2HZ LYS 112 18.660 -6.699 -5.007 838 H ILE 113 H ILE 113 12.296 -2.787 -7.064 839 HA ILE 113 HA ILE 113 10.707 -4.888 -8.092 840 HB ILE 113 HB ILE 113 8.766 -3.671 -7.182 841 HG12 ILE 113 2HG1 ILE 113 10.787 -1.515 -6.531 842 HG13 ILE 113 1HG1 ILE 113 9.483 -1.381 -7.704 843 HG21 ILE 113 1HG2 ILE 113 9.968 -5.099 -5.691 844 HG22 ILE 113 2HG2 ILE 113 9.530 -3.636 -4.810 845 HG23 ILE 113 3HG2 ILE 113 11.180 -3.855 -5.391 846 HD11 ILE 113 3HD1 ILE 113 8.878 -0.239 -5.686 847 HD12 ILE 113 1HD1 ILE 113 9.203 -1.681 -4.727 848 HD13 ILE 113 2HD1 ILE 113 7.860 -1.667 -5.871 849 H GLY 114 H GLY 114 11.432 -1.700 -9.302 850 HA2 GLY 114 2HA GLY 114 11.168 -1.259 -11.651 851 HA3 GLY 114 1HA GLY 114 9.733 -2.269 -11.638 852 H LEU 115 H LEU 115 10.188 -0.013 -9.037 853 HA LEU 115 HA LEU 115 7.895 1.519 -10.013 854 HB2 LEU 115 2HB LEU 115 8.425 0.509 -7.555 855 HB3 LEU 115 1HB LEU 115 9.057 2.132 -7.365 856 HG LEU 115 HG LEU 115 6.265 1.613 -8.367 857 HD11 LEU 115 1HD1 LEU 115 5.888 0.719 -6.337 858 HD12 LEU 115 2HD1 LEU 115 5.890 2.403 -5.817 859 HD13 LEU 115 3HD1 LEU 115 7.344 1.423 -5.636 860 HD21 LEU 115 3HD2 LEU 115 5.951 3.842 -8.237 861 HD22 LEU 115 1HD2 LEU 115 7.705 3.891 -8.411 862 HD23 LEU 115 2HD2 LEU 115 6.975 4.014 -6.811 863 H LEU 116 H LEU 116 11.203 2.015 -8.810 864 HA LEU 116 HA LEU 116 11.120 4.828 -9.548 865 HB2 LEU 116 2HB LEU 116 12.515 3.327 -7.632 866 HB3 LEU 116 1HB LEU 116 13.728 3.863 -8.777 867 HG LEU 116 HG LEU 116 12.386 6.182 -8.382 868 HD11 LEU 116 1HD1 LEU 116 10.883 5.367 -6.724 869 HD12 LEU 116 2HD1 LEU 116 12.082 6.368 -5.908 870 HD13 LEU 116 3HD1 LEU 116 12.194 4.612 -5.821 871 HD21 LEU 116 3HD2 LEU 116 14.632 5.117 -6.675 872 HD22 LEU 116 1HD2 LEU 116 14.226 6.814 -6.922 873 HD23 LEU 116 2HD2 LEU 116 14.807 5.843 -8.273 874 HA PRO 117 HA PRO 117 12.898 4.098 -13.551 875 HB2 PRO 117 2HB PRO 117 13.639 6.626 -14.148 876 HB3 PRO 117 1HB PRO 117 11.948 6.112 -14.138 877 HG2 PRO 117 2HG PRO 117 13.491 7.598 -12.048 878 HG3 PRO 117 1HG PRO 117 11.840 7.878 -12.629 879 HD2 PRO 117 2HD PRO 117 12.407 6.564 -10.313 880 HD3 PRO 117 1HD PRO 117 10.960 6.238 -11.284 Start of MODEL 6 1 H MET 9 1HT MET 9 -16.085 -9.492 2.521 2 HA MET 9 HA MET 9 -17.149 -12.232 2.501 3 HB2 MET 9 2HB MET 9 -17.889 -9.566 1.358 4 HB3 MET 9 1HB MET 9 -18.305 -11.010 0.449 5 HG2 MET 9 2HG MET 9 -19.916 -11.626 1.893 6 HG3 MET 9 1HG MET 9 -19.032 -11.043 3.302 7 HE1 MET 9 2HE MET 9 -22.387 -10.367 1.577 8 HE2 MET 9 3HE MET 9 -22.669 -9.354 2.993 9 HE3 MET 9 1HE MET 9 -21.923 -10.941 3.178 10 H SER 10 H SER 10 -16.671 -13.551 0.769 11 HA SER 10 HA SER 10 -14.148 -13.380 -0.403 12 HB2 SER 10 2HB SER 10 -14.993 -15.167 -1.966 13 HB3 SER 10 1HB SER 10 -15.233 -15.519 -0.254 14 HG SER 10 HG SER 10 -17.075 -15.845 -1.776 15 H ALA 11 H ALA 11 -17.278 -12.246 -1.550 16 HA ALA 11 HA ALA 11 -16.778 -11.786 -4.220 17 HB1 ALA 11 1HB ALA 11 -18.702 -10.607 -4.233 18 HB2 ALA 11 2HB ALA 11 -18.242 -9.630 -2.838 19 HB3 ALA 11 3HB ALA 11 -18.860 -11.266 -2.605 20 H PHE 12 H PHE 12 -15.755 -9.864 -1.449 21 HA PHE 12 HA PHE 12 -14.610 -7.798 -3.131 22 HB2 PHE 12 2HB PHE 12 -15.639 -7.692 -0.642 23 HB3 PHE 12 1HB PHE 12 -13.940 -7.909 -0.242 24 HD1 PHE 12 2HD PHE 12 -16.305 -5.744 -2.099 25 HD2 PHE 12 1HD PHE 12 -12.426 -6.117 -0.382 26 HE1 PHE 12 2HE PHE 12 -15.923 -3.336 -2.441 27 HE2 PHE 12 1HE PHE 12 -12.041 -3.712 -0.721 28 HZ PHE 12 HZ PHE 12 -13.790 -2.317 -1.751 29 H VAL 13 H VAL 13 -13.499 -10.515 -1.152 30 HA VAL 13 HA VAL 13 -10.748 -9.977 -1.229 31 HB VAL 13 HB VAL 13 -11.977 -12.738 -1.196 32 HG11 VAL 13 1HG1 VAL 13 -9.968 -13.536 -0.512 33 HG12 VAL 13 2HG1 VAL 13 -9.540 -12.052 0.339 34 HG13 VAL 13 3HG1 VAL 13 -9.380 -12.142 -1.415 35 HG21 VAL 13 3HG2 VAL 13 -11.902 -10.616 0.870 36 HG22 VAL 13 1HG2 VAL 13 -11.521 -12.256 1.395 37 HG23 VAL 13 2HG2 VAL 13 -13.066 -11.914 0.617 38 H THR 14 H THR 14 -12.743 -11.988 -3.403 39 HA THR 14 HA THR 14 -10.672 -12.809 -5.109 40 HB THR 14 HB THR 14 -13.529 -12.315 -5.959 41 HG1 THR 14 1HG THR 14 -12.436 -14.519 -4.548 42 HG21 THR 14 3HG2 THR 14 -11.273 -13.725 -7.144 43 HG22 THR 14 1HG2 THR 14 -12.772 -13.153 -7.874 44 HG23 THR 14 2HG2 THR 14 -12.737 -14.699 -7.027 45 H LYS 15 H LYS 15 -12.765 -9.940 -5.214 46 HA LYS 15 HA LYS 15 -11.932 -8.944 -7.699 47 HB2 LYS 15 2HB LYS 15 -13.123 -7.683 -5.256 48 HB3 LYS 15 1HB LYS 15 -12.564 -6.666 -6.578 49 HG2 LYS 15 2HG LYS 15 -14.030 -8.249 -8.043 50 HG3 LYS 15 1HG LYS 15 -14.820 -8.613 -6.508 51 HD2 LYS 15 2HD LYS 15 -14.480 -5.782 -6.748 52 HD3 LYS 15 1HD LYS 15 -15.248 -6.402 -8.211 53 HE2 LYS 15 2HE LYS 15 -17.084 -7.220 -7.056 54 HE3 LYS 15 1HE LYS 15 -16.217 -7.280 -5.521 55 HZ1 LYS 15 3HZ LYS 15 -17.934 -5.449 -5.843 56 HZ2 LYS 15 1HZ LYS 15 -16.798 -4.707 -6.854 57 HZ3 LYS 15 2HZ LYS 15 -16.425 -4.995 -5.229 58 H ALA 16 H ALA 16 -10.514 -8.659 -4.491 59 HA ALA 16 HA ALA 16 -8.633 -6.640 -5.034 60 HB1 ALA 16 1HB ALA 16 -7.496 -7.346 -3.046 61 HB2 ALA 16 2HB ALA 16 -8.284 -8.923 -3.096 62 HB3 ALA 16 3HB ALA 16 -9.233 -7.475 -2.761 63 H GLU 17 H GLU 17 -8.463 -10.167 -5.370 64 HA GLU 17 HA GLU 17 -5.750 -10.359 -6.077 65 HB2 GLU 17 2HB GLU 17 -7.978 -12.169 -7.026 66 HB3 GLU 17 1HB GLU 17 -6.267 -12.560 -6.935 67 HG2 GLU 17 2HG GLU 17 -8.089 -12.016 -4.603 68 HG3 GLU 17 1HG GLU 17 -7.479 -13.589 -5.114 69 H GLU 18 H GLU 18 -8.611 -9.623 -7.982 70 HA GLU 18 HA GLU 18 -7.321 -9.860 -10.517 71 HB2 GLU 18 2HB GLU 18 -9.858 -8.405 -9.741 72 HB3 GLU 18 1HB GLU 18 -9.322 -8.686 -11.392 73 HG2 GLU 18 2HG GLU 18 -10.102 -10.779 -9.374 74 HG3 GLU 18 1HG GLU 18 -11.013 -10.291 -10.804 75 H MET 19 H MET 19 -7.823 -7.243 -8.215 76 HA MET 19 HA MET 19 -7.008 -5.131 -9.925 77 HB2 MET 19 2HB MET 19 -7.435 -5.462 -7.001 78 HB3 MET 19 1HB MET 19 -6.444 -4.107 -7.522 79 HG2 MET 19 2HG MET 19 -8.189 -3.045 -8.559 80 HG3 MET 19 1HG MET 19 -9.080 -4.542 -8.831 81 HE1 MET 19 3HE MET 19 -11.738 -4.372 -6.661 82 HE2 MET 19 1HE MET 19 -11.092 -4.226 -8.295 83 HE3 MET 19 2HE MET 19 -11.542 -2.780 -7.392 84 H ILE 20 H ILE 20 -5.261 -7.065 -7.490 85 HA ILE 20 HA ILE 20 -2.774 -5.746 -7.902 86 HB ILE 20 HB ILE 20 -1.829 -7.745 -6.688 87 HG12 ILE 20 2HG1 ILE 20 -4.422 -8.587 -5.669 88 HG13 ILE 20 1HG1 ILE 20 -4.242 -8.925 -7.386 89 HG21 ILE 20 1HG2 ILE 20 -4.075 -6.289 -5.314 90 HG22 ILE 20 2HG2 ILE 20 -2.452 -5.651 -5.574 91 HG23 ILE 20 3HG2 ILE 20 -2.691 -7.057 -4.536 92 HD11 ILE 20 3HD1 ILE 20 -3.113 -10.744 -6.857 93 HD12 ILE 20 1HD1 ILE 20 -3.160 -10.317 -5.146 94 HD13 ILE 20 2HD1 ILE 20 -1.847 -9.729 -6.168 95 H LYS 21 H LYS 21 -4.472 -8.164 -9.645 96 HA LYS 21 HA LYS 21 -2.356 -9.671 -10.688 97 HB2 LYS 21 2HB LYS 21 -5.016 -9.858 -10.889 98 HB3 LYS 21 1HB LYS 21 -4.688 -9.090 -12.437 99 HG2 LYS 21 2HG LYS 21 -4.421 -11.182 -13.175 100 HG3 LYS 21 1HG LYS 21 -2.828 -11.071 -12.425 101 HD2 LYS 21 2HD LYS 21 -3.348 -12.661 -10.954 102 HD3 LYS 21 1HD LYS 21 -4.802 -11.794 -10.461 103 HE2 LYS 21 2HE LYS 21 -5.486 -13.932 -11.255 104 HE3 LYS 21 1HE LYS 21 -5.950 -12.746 -12.473 105 HZ1 LYS 21 3HZ LYS 21 -4.440 -13.538 -13.955 106 HZ2 LYS 21 1HZ LYS 21 -4.723 -14.972 -13.104 107 HZ3 LYS 21 2HZ LYS 21 -3.345 -14.049 -12.771 108 H SER 22 H SER 22 -4.169 -7.100 -12.384 109 HA SER 22 HA SER 22 -1.964 -6.714 -14.234 110 HB2 SER 22 2HB SER 22 -4.147 -6.668 -15.221 111 HB3 SER 22 1HB SER 22 -4.721 -5.485 -14.047 112 HG SER 22 HG SER 22 -3.678 -5.000 -16.396 113 H HIS 23 H HIS 23 -3.330 -5.180 -11.421 114 HA HIS 23 HA HIS 23 -1.343 -3.017 -11.682 115 HB2 HIS 23 2HB HIS 23 -4.012 -2.880 -10.257 116 HB3 HIS 23 1HB HIS 23 -2.848 -1.570 -10.401 117 HD1 HIS 23 1HD HIS 23 -3.380 0.031 -12.199 118 HD2 HIS 23 2HD HIS 23 -4.893 -3.748 -13.015 119 HE1 HIS 23 1HE HIS 23 -4.640 0.267 -14.359 120 HE2 HIS 23 2HE HIS 23 -5.409 -2.070 -14.910 121 HA PRO 24 HA PRO 24 -0.460 -5.669 -7.908 122 HB2 PRO 24 2HB PRO 24 2.182 -6.022 -8.436 123 HB3 PRO 24 1HB PRO 24 0.921 -7.098 -9.044 124 HG2 PRO 24 2HG PRO 24 2.328 -4.851 -10.435 125 HG3 PRO 24 1HG PRO 24 1.920 -6.466 -11.044 126 HD2 PRO 24 2HD PRO 24 0.452 -4.284 -11.655 127 HD3 PRO 24 1HD PRO 24 -0.271 -5.893 -11.471 128 H TYR 25 H TYR 25 0.799 -2.745 -9.282 129 HA TYR 25 HA TYR 25 2.329 -2.070 -6.914 130 HB2 TYR 25 2HB TYR 25 1.864 -0.689 -9.557 131 HB3 TYR 25 1HB TYR 25 2.744 0.057 -8.236 132 HD1 TYR 25 1HD TYR 25 4.688 -1.507 -7.237 133 HD2 TYR 25 2HD TYR 25 3.102 -1.766 -11.178 134 HE1 TYR 25 1HE TYR 25 6.756 -2.601 -7.994 135 HE2 TYR 25 2HE TYR 25 5.166 -2.860 -11.943 136 HH TYR 25 HH TYR 25 7.040 -4.279 -10.787 137 H PHE 26 H PHE 26 0.203 -2.276 -5.690 138 HA PHE 26 HA PHE 26 -1.296 0.249 -5.827 139 HB2 PHE 26 2HB PHE 26 -2.202 -2.437 -5.747 140 HB3 PHE 26 1HB PHE 26 -2.639 -1.700 -4.210 141 HD1 PHE 26 2HD PHE 26 -3.309 1.028 -4.896 142 HD2 PHE 26 1HD PHE 26 -4.093 -2.563 -7.044 143 HE1 PHE 26 2HE PHE 26 -5.250 2.095 -5.965 144 HE2 PHE 26 1HE PHE 26 -6.035 -1.501 -8.115 145 HZ PHE 26 HZ PHE 26 -6.617 0.830 -7.576 146 H GLN 27 H GLN 27 -1.435 1.538 -4.081 147 HA GLN 27 HA GLN 27 -0.264 0.599 -1.545 148 HB2 GLN 27 2HB GLN 27 1.206 2.153 -2.987 149 HB3 GLN 27 1HB GLN 27 0.060 3.416 -2.560 150 HG2 GLN 27 2HG GLN 27 1.266 1.798 -0.378 151 HG3 GLN 27 1HG GLN 27 2.256 3.017 -1.176 152 HE21 GLN 27 1HE2 GLN 27 1.133 5.194 -1.403 153 HE22 GLN 27 2HE2 GLN 27 0.272 5.754 -0.015 154 H LEU 28 H LEU 28 -1.874 0.562 -0.095 155 HA LEU 28 HA LEU 28 -4.129 2.379 -0.360 156 HB2 LEU 28 2HB LEU 28 -3.771 -0.239 0.643 157 HB3 LEU 28 1HB LEU 28 -4.254 0.752 2.005 158 HG LEU 28 HG LEU 28 -6.230 -0.197 1.072 159 HD11 LEU 28 1HD1 LEU 28 -6.145 2.616 0.016 160 HD12 LEU 28 2HD1 LEU 28 -6.254 2.230 1.732 161 HD13 LEU 28 3HD1 LEU 28 -7.536 1.723 0.633 162 HD21 LEU 28 3HD2 LEU 28 -5.101 -0.593 -1.194 163 HD22 LEU 28 1HD2 LEU 28 -5.646 1.035 -1.600 164 HD23 LEU 28 2HD2 LEU 28 -6.822 -0.211 -1.186 165 H SER 29 H SER 29 -4.121 4.306 0.568 166 HA SER 29 HA SER 29 -2.935 4.620 3.231 167 HB2 SER 29 2HB SER 29 -1.276 5.387 1.528 168 HB3 SER 29 1HB SER 29 -2.454 6.574 0.969 169 HG SER 29 HG SER 29 -0.887 7.352 2.544 170 H ALA 30 H ALA 30 -3.547 6.819 4.185 171 HA ALA 30 HA ALA 30 -6.285 7.548 3.363 172 HB1 ALA 30 1HB ALA 30 -7.058 7.472 5.517 173 HB2 ALA 30 2HB ALA 30 -5.473 7.806 6.214 174 HB3 ALA 30 3HB ALA 30 -5.839 6.198 5.594 175 H SER 31 H SER 31 -6.954 9.735 3.976 176 HA SER 31 HA SER 31 -4.693 11.605 3.840 177 HB2 SER 31 2HB SER 31 -6.526 13.251 3.135 178 HB3 SER 31 1HB SER 31 -6.140 11.958 1.998 179 HG SER 31 HG SER 31 -8.053 11.096 2.308 180 H TRP 32 H TRP 32 -5.881 10.294 6.327 181 HA TRP 32 HA TRP 32 -5.914 12.709 7.925 182 HB2 TRP 32 2HB TRP 32 -8.326 12.118 7.152 183 HB3 TRP 32 1HB TRP 32 -8.211 10.813 8.327 184 HD1 TRP 32 HD TRP 32 -9.290 11.448 10.537 185 HE1 TRP 32 1HE TRP 32 -9.588 13.600 11.913 186 HE3 TRP 32 3HE TRP 32 -6.868 14.734 7.453 187 HZ2 TRP 32 2HZ TRP 32 -8.897 16.325 11.722 188 HZ3 TRP 32 3HZ TRP 32 -6.735 17.098 8.127 189 HH2 TRP 32 HH TRP 32 -7.728 17.875 10.218 190 H CYS 33 H CYS 33 -4.149 10.393 7.654 191 HA CYS 33 HA CYS 33 -4.410 9.247 10.360 192 HB2 CYS 33 2HB CYS 33 -3.793 8.024 7.782 193 HB3 CYS 33 1HB CYS 33 -2.594 7.641 9.012 194 HG CYS 33 HG CYS 33 -4.357 5.832 9.261 195 HA PRO 34 HA PRO 34 -0.655 11.326 11.437 196 HB2 PRO 34 2HB PRO 34 0.201 9.730 13.461 197 HB3 PRO 34 1HB PRO 34 -1.157 10.849 13.627 198 HG2 PRO 34 2HG PRO 34 -1.183 7.899 13.122 199 HG3 PRO 34 1HG PRO 34 -2.201 8.857 14.214 200 HD2 PRO 34 2HD PRO 34 -3.057 8.018 11.787 201 HD3 PRO 34 1HD PRO 34 -3.597 9.544 12.515 202 H ASP 35 H ASP 35 -0.596 7.871 10.731 203 HA ASP 35 HA ASP 35 2.263 8.083 10.067 204 HB2 ASP 35 2HB ASP 35 2.204 5.545 10.201 205 HB3 ASP 35 1HB ASP 35 1.992 6.410 11.720 206 H CYS 36 H CYS 36 -0.136 8.796 8.359 207 HA CYS 36 HA CYS 36 0.423 6.957 6.119 208 HB2 CYS 36 2HB CYS 36 -2.081 8.396 6.929 209 HB3 CYS 36 1HB CYS 36 -1.818 7.974 5.239 210 HG CYS 36 HG CYS 36 -1.932 5.799 7.464 211 H VAL 37 H VAL 37 -0.134 10.347 7.005 212 HA VAL 37 HA VAL 37 0.221 11.518 4.504 213 HB VAL 37 HB VAL 37 1.122 12.729 7.122 214 HG11 VAL 37 1HG1 VAL 37 1.445 13.695 4.601 215 HG12 VAL 37 2HG1 VAL 37 1.319 14.691 6.051 216 HG13 VAL 37 3HG1 VAL 37 -0.105 14.406 5.051 217 HG21 VAL 37 3HG2 VAL 37 -1.493 13.569 6.220 218 HG22 VAL 37 1HG2 VAL 37 -0.995 12.942 7.791 219 HG23 VAL 37 2HG2 VAL 37 -1.449 11.831 6.501 220 H TYR 38 H TYR 38 2.605 10.298 6.783 221 HA TYR 38 HA TYR 38 4.889 11.534 5.662 222 HB2 TYR 38 2HB TYR 38 4.764 10.436 7.919 223 HB3 TYR 38 1HB TYR 38 4.790 8.880 7.100 224 HD1 TYR 38 1HD TYR 38 6.751 12.048 7.355 225 HD2 TYR 38 2HD TYR 38 6.828 7.841 6.715 226 HE1 TYR 38 1HE TYR 38 9.208 12.097 7.368 227 HE2 TYR 38 2HE TYR 38 9.287 7.879 6.725 228 HH TYR 38 HH TYR 38 11.091 10.632 6.395 229 H ALA 39 H ALA 39 3.549 8.253 5.209 230 HA ALA 39 HA ALA 39 5.412 7.344 3.341 231 HB1 ALA 39 1HB ALA 39 4.149 5.598 4.040 232 HB2 ALA 39 2HB ALA 39 3.260 5.962 2.563 233 HB3 ALA 39 3HB ALA 39 2.668 6.553 4.116 234 H ASN 40 H ASN 40 2.403 9.161 2.840 235 HA ASN 40 HA ASN 40 2.585 9.063 -0.019 236 HB2 ASN 40 2HB ASN 40 0.795 10.351 1.973 237 HB3 ASN 40 1HB ASN 40 0.889 11.106 0.385 238 HD21 ASN 40 1HD2 ASN 40 -1.464 10.059 1.269 239 HD22 ASN 40 2HD2 ASN 40 -1.857 8.645 0.357 240 H SER 41 H SER 41 3.703 11.215 2.493 241 HA SER 41 HA SER 41 4.207 13.491 0.950 242 HB2 SER 41 2HB SER 41 4.245 13.523 3.402 243 HB3 SER 41 1HB SER 41 5.682 12.500 3.402 244 HG SER 41 HG SER 41 5.433 15.200 2.941 245 H ILE 42 H ILE 42 6.320 10.745 1.769 246 HA ILE 42 HA ILE 42 8.600 11.663 0.396 247 HB ILE 42 HB ILE 42 7.856 8.768 0.829 248 HG12 ILE 42 2HG1 ILE 42 7.682 9.980 2.950 249 HG13 ILE 42 1HG1 ILE 42 9.091 8.929 2.956 250 HG21 ILE 42 1HG2 ILE 42 9.736 9.145 -0.685 251 HG22 ILE 42 2HG2 ILE 42 10.266 8.397 0.822 252 HG23 ILE 42 3HG2 ILE 42 10.537 10.118 0.548 253 HD11 ILE 42 3HD1 ILE 42 10.342 10.657 3.521 254 HD12 ILE 42 1HD1 ILE 42 8.942 11.724 3.429 255 HD13 ILE 42 2HD1 ILE 42 9.932 11.445 1.998 256 H TRP 43 H TRP 43 5.919 9.575 -0.639 257 HA TRP 43 HA TRP 43 6.932 8.991 -3.209 258 HB2 TRP 43 2HB TRP 43 4.197 8.892 -1.973 259 HB3 TRP 43 1HB TRP 43 4.401 8.602 -3.697 260 HD1 TRP 43 HD TRP 43 6.722 7.333 -0.875 261 HE1 TRP 43 1HE TRP 43 6.788 4.765 -0.980 262 HE3 TRP 43 3HE TRP 43 3.270 6.577 -4.577 263 HZ2 TRP 43 2HZ TRP 43 5.546 2.691 -2.435 264 HZ3 TRP 43 3HZ TRP 43 2.768 4.268 -5.262 265 HH2 TRP 43 HH TRP 43 3.885 2.367 -4.214 266 H ASN 44 H ASN 44 4.967 11.653 -1.975 267 HA ASN 44 HA ASN 44 4.365 12.765 -4.536 268 HB2 ASN 44 2HB ASN 44 3.403 13.169 -1.999 269 HB3 ASN 44 1HB ASN 44 4.361 14.623 -2.252 270 HD21 ASN 44 1HD2 ASN 44 2.173 12.607 -4.205 271 HD22 ASN 44 2HD2 ASN 44 1.227 13.924 -4.802 272 H LYS 45 H LYS 45 7.016 13.103 -2.276 273 HA LYS 45 HA LYS 45 8.076 15.468 -3.536 274 HB2 LYS 45 2HB LYS 45 8.343 14.566 -1.050 275 HB3 LYS 45 1HB LYS 45 9.742 13.754 -1.745 276 HG2 LYS 45 2HG LYS 45 10.742 15.820 -2.360 277 HG3 LYS 45 1HG LYS 45 9.268 16.715 -1.990 278 HD2 LYS 45 2HD LYS 45 10.564 17.136 -0.124 279 HD3 LYS 45 1HD LYS 45 9.603 15.756 0.408 280 HE2 LYS 45 2HE LYS 45 11.392 14.380 0.495 281 HE3 LYS 45 1HE LYS 45 12.138 15.091 -0.934 282 HZ1 LYS 45 3HZ LYS 45 13.083 16.796 0.320 283 HZ2 LYS 45 1HZ LYS 45 13.294 15.427 1.290 284 HZ3 LYS 45 2HZ LYS 45 12.068 16.535 1.646 285 H LEU 46 H LEU 46 8.608 11.991 -3.695 286 HA LEU 46 HA LEU 46 10.981 12.234 -5.299 287 HB2 LEU 46 2HB LEU 46 9.320 9.967 -4.305 288 HB3 LEU 46 1HB LEU 46 10.421 9.685 -5.638 289 HG LEU 46 HG LEU 46 11.274 10.805 -2.969 290 HD11 LEU 46 1HD1 LEU 46 12.350 8.365 -2.996 291 HD12 LEU 46 2HD1 LEU 46 10.883 8.026 -3.913 292 HD13 LEU 46 3HD1 LEU 46 10.771 8.701 -2.289 293 HD21 LEU 46 3HD2 LEU 46 12.572 10.977 -5.340 294 HD22 LEU 46 1HD2 LEU 46 13.175 9.429 -4.747 295 HD23 LEU 46 2HD2 LEU 46 13.379 10.885 -3.775 296 H ASN 47 H ASN 47 7.712 12.582 -6.001 297 HA ASN 47 HA ASN 47 6.471 12.586 -7.899 298 HB2 ASN 47 2HB ASN 47 8.240 14.222 -8.501 299 HB3 ASN 47 1HB ASN 47 9.165 12.914 -9.225 300 HD21 ASN 47 1HD2 ASN 47 8.993 12.826 -11.348 301 HD22 ASN 47 2HD2 ASN 47 7.612 13.281 -12.279 302 H VAL 48 H VAL 48 6.883 10.057 -6.976 303 HA VAL 48 HA VAL 48 7.217 8.502 -9.458 304 HB VAL 48 HB VAL 48 7.938 6.576 -8.072 305 HG11 VAL 48 1HG1 VAL 48 9.479 9.065 -8.380 306 HG12 VAL 48 2HG1 VAL 48 9.829 7.433 -8.944 307 HG13 VAL 48 3HG1 VAL 48 10.156 7.877 -7.269 308 HG21 VAL 48 3HG2 VAL 48 7.452 6.661 -5.893 309 HG22 VAL 48 1HG2 VAL 48 7.289 8.417 -5.910 310 HG23 VAL 48 2HG2 VAL 48 8.881 7.681 -5.732 311 H GLN 49 H GLN 49 4.794 9.731 -8.305 312 HA GLN 49 HA GLN 49 3.252 7.406 -7.431 313 HB2 GLN 49 2HB GLN 49 1.465 9.005 -6.912 314 HB3 GLN 49 1HB GLN 49 2.971 9.434 -6.112 315 HG2 GLN 49 2HG GLN 49 3.115 11.394 -7.170 316 HG3 GLN 49 1HG GLN 49 2.616 10.710 -8.718 317 HE21 GLN 49 1HE2 GLN 49 1.113 11.156 -5.520 318 HE22 GLN 49 2HE2 GLN 49 -0.332 11.886 -6.119 319 H ASP 50 H ASP 50 4.025 8.902 -10.320 320 HA ASP 50 HA ASP 50 1.463 8.622 -11.617 321 HB2 ASP 50 2HB ASP 50 3.393 10.264 -12.216 322 HB3 ASP 50 1HB ASP 50 4.082 8.890 -13.073 323 H LYS 51 H LYS 51 4.564 6.903 -11.638 324 HA LYS 51 HA LYS 51 3.777 4.896 -13.486 325 HB2 LYS 51 2HB LYS 51 5.954 4.785 -11.387 326 HB3 LYS 51 1HB LYS 51 5.808 3.729 -12.785 327 HG2 LYS 51 2HG LYS 51 6.493 5.360 -14.261 328 HG3 LYS 51 1HG LYS 51 6.004 6.680 -13.196 329 HD2 LYS 51 2HD LYS 51 7.860 5.768 -11.630 330 HD3 LYS 51 1HD LYS 51 8.454 4.958 -13.080 331 HE2 LYS 51 2HE LYS 51 8.770 7.029 -14.207 332 HE3 LYS 51 1HE LYS 51 7.896 7.914 -12.958 333 HZ1 LYS 51 3HZ LYS 51 9.686 7.245 -11.391 334 HZ2 LYS 51 1HZ LYS 51 10.214 8.264 -12.636 335 HZ3 LYS 51 2HZ LYS 51 10.548 6.608 -12.700 336 H VAL 52 H VAL 52 3.393 5.264 -10.035 337 HA VAL 52 HA VAL 52 2.426 2.502 -9.777 338 HB VAL 52 HB VAL 52 2.996 4.519 -7.593 339 HG11 VAL 52 1HG1 VAL 52 1.528 2.992 -6.652 340 HG12 VAL 52 2HG1 VAL 52 3.107 2.325 -6.239 341 HG13 VAL 52 3HG1 VAL 52 2.184 1.640 -7.574 342 HG21 VAL 52 3HG2 VAL 52 5.028 3.908 -8.842 343 HG22 VAL 52 1HG2 VAL 52 4.703 2.206 -8.506 344 HG23 VAL 52 2HG2 VAL 52 5.055 3.316 -7.181 345 H PHE 53 H PHE 53 0.413 2.166 -8.512 346 HA PHE 53 HA PHE 53 -1.473 4.378 -8.911 347 HB2 PHE 53 2HB PHE 53 -1.703 1.461 -9.422 348 HB3 PHE 53 1HB PHE 53 -3.122 2.257 -8.751 349 HD1 PHE 53 1HD PHE 53 -3.730 4.552 -9.975 350 HD2 PHE 53 2HD PHE 53 -1.530 1.345 -11.705 351 HE1 PHE 53 1HE PHE 53 -4.350 5.343 -12.222 352 HE2 PHE 53 2HE PHE 53 -2.146 2.130 -13.953 353 HZ PHE 53 HZ PHE 53 -3.558 4.131 -14.214 354 H VAL 54 H VAL 54 -1.866 5.306 -7.088 355 HA VAL 54 HA VAL 54 -2.039 3.736 -4.605 356 HB VAL 54 HB VAL 54 -1.659 6.722 -4.867 357 HG11 VAL 54 1HG1 VAL 54 -0.850 5.269 -2.428 358 HG12 VAL 54 2HG1 VAL 54 -2.583 5.425 -2.710 359 HG13 VAL 54 3HG1 VAL 54 -1.572 6.867 -2.615 360 HG21 VAL 54 3HG2 VAL 54 0.579 6.503 -4.951 361 HG22 VAL 54 1HG2 VAL 54 0.216 4.901 -5.595 362 HG23 VAL 54 2HG2 VAL 54 0.587 5.100 -3.883 363 H PHE 55 H PHE 55 -3.881 3.707 -3.428 364 HA PHE 55 HA PHE 55 -6.143 5.319 -4.417 365 HB2 PHE 55 2HB PHE 55 -5.955 2.541 -4.151 366 HB3 PHE 55 1HB PHE 55 -6.940 3.059 -2.787 367 HD1 PHE 55 1HD PHE 55 -6.626 3.733 -6.448 368 HD2 PHE 55 2HD PHE 55 -9.201 3.175 -3.107 369 HE1 PHE 55 1HE PHE 55 -8.582 3.912 -7.930 370 HE2 PHE 55 2HE PHE 55 -11.161 3.350 -4.582 371 HZ PHE 55 HZ PHE 55 -10.854 3.718 -6.997 372 H ASP 56 H ASP 56 -6.740 6.897 -3.110 373 HA ASP 56 HA ASP 56 -6.018 6.785 -0.277 374 HB2 ASP 56 2HB ASP 56 -6.502 9.173 -0.227 375 HB3 ASP 56 1HB ASP 56 -5.403 8.804 -1.549 376 H ILE 57 H ILE 57 -7.477 6.989 1.389 377 HA ILE 57 HA ILE 57 -10.278 6.494 0.662 378 HB ILE 57 HB ILE 57 -10.489 5.614 3.023 379 HG12 ILE 57 2HG1 ILE 57 -7.572 5.068 3.067 380 HG13 ILE 57 1HG1 ILE 57 -8.056 6.713 3.468 381 HG21 ILE 57 1HG2 ILE 57 -8.882 4.316 0.865 382 HG22 ILE 57 2HG2 ILE 57 -10.527 3.975 1.400 383 HG23 ILE 57 3HG2 ILE 57 -9.155 3.472 2.389 384 HD11 ILE 57 3HD1 ILE 57 -9.453 5.898 5.258 385 HD12 ILE 57 1HD1 ILE 57 -7.813 5.278 5.441 386 HD13 ILE 57 2HD1 ILE 57 -9.086 4.230 4.817 387 H GLY 58 H GLY 58 -11.115 8.502 0.517 388 HA2 GLY 58 2HA GLY 58 -10.549 10.712 2.131 389 HA3 GLY 58 1HA GLY 58 -12.018 10.495 1.195 390 H SER 59 H SER 59 -13.778 9.271 2.195 391 HA SER 59 HA SER 59 -13.666 9.097 5.116 392 HB2 SER 59 2HB SER 59 -15.928 10.238 5.229 393 HB3 SER 59 1HB SER 59 -14.574 11.292 4.820 394 HG SER 59 HG SER 59 -16.602 11.405 3.501 395 H LEU 60 H LEU 60 -13.516 6.864 3.832 396 HA LEU 60 HA LEU 60 -15.776 5.663 2.751 397 HB2 LEU 60 2HB LEU 60 -14.689 3.506 3.836 398 HB3 LEU 60 1HB LEU 60 -14.001 4.293 2.433 399 HG LEU 60 HG LEU 60 -12.281 5.321 3.762 400 HD11 LEU 60 1HD1 LEU 60 -13.394 5.901 5.775 401 HD12 LEU 60 2HD1 LEU 60 -12.113 4.771 6.210 402 HD13 LEU 60 3HD1 LEU 60 -13.783 4.217 6.123 403 HD21 LEU 60 3HD2 LEU 60 -11.564 3.220 3.127 404 HD22 LEU 60 1HD2 LEU 60 -12.740 2.395 4.149 405 HD23 LEU 60 2HD2 LEU 60 -11.335 3.177 4.876 406 HA PRO 61 HA PRO 61 -18.466 5.278 6.255 407 HB2 PRO 61 2HB PRO 61 -20.345 3.693 5.152 408 HB3 PRO 61 1HB PRO 61 -20.142 5.380 4.662 409 HG2 PRO 61 2HG PRO 61 -19.169 2.889 3.317 410 HG3 PRO 61 1HG PRO 61 -19.921 4.326 2.601 411 HD2 PRO 61 2HD PRO 61 -17.225 3.876 2.614 412 HD3 PRO 61 1HD PRO 61 -17.949 5.497 2.582 413 H ARG 62 H ARG 62 -19.885 3.183 7.097 414 HA ARG 62 HA ARG 62 -17.891 1.404 8.126 415 HB2 ARG 62 2HB ARG 62 -20.894 1.362 8.460 416 HB3 ARG 62 1HB ARG 62 -19.756 0.378 9.370 417 HG2 ARG 62 2HG ARG 62 -18.886 3.034 9.646 418 HG3 ARG 62 1HG ARG 62 -20.636 3.058 9.858 419 HD2 ARG 62 2HD ARG 62 -20.224 2.452 11.970 420 HD3 ARG 62 1HD ARG 62 -19.889 0.853 11.309 421 HE ARG 62 HE ARG 62 -17.586 2.538 11.250 422 HH11 ARG 62 1HH1 ARG 62 -19.507 0.503 13.361 423 HH12 ARG 62 2HH1 ARG 62 -18.193 0.167 14.435 424 HH21 ARG 62 1HH2 ARG 62 -15.860 2.087 12.677 425 HH22 ARG 62 2HH2 ARG 62 -16.127 1.067 14.050 426 H ASN 63 H ASN 63 -19.330 1.385 5.175 427 HA ASN 63 HA ASN 63 -19.654 -1.524 5.044 428 HB2 ASN 63 2HB ASN 63 -20.845 0.726 3.631 429 HB3 ASN 63 1HB ASN 63 -20.218 -0.487 2.518 430 HD21 ASN 63 1HD2 ASN 63 -20.816 -2.783 3.119 431 HD22 ASN 63 2HD2 ASN 63 -22.445 -3.041 3.634 432 H GLU 64 H GLU 64 -17.852 1.142 3.527 433 HA GLU 64 HA GLU 64 -16.325 -0.592 1.832 434 HB2 GLU 64 2HB GLU 64 -16.802 1.775 1.267 435 HB3 GLU 64 1HB GLU 64 -15.788 2.281 2.611 436 HG2 GLU 64 2HG GLU 64 -14.275 2.468 0.942 437 HG3 GLU 64 1HG GLU 64 -14.009 0.773 1.347 438 H GLN 65 H GLN 65 -15.601 1.244 4.800 439 HA GLN 65 HA GLN 65 -12.935 0.436 5.083 440 HB2 GLN 65 2HB GLN 65 -14.197 2.270 6.347 441 HB3 GLN 65 1HB GLN 65 -14.770 0.991 7.406 442 HG2 GLN 65 2HG GLN 65 -12.498 0.450 8.034 443 HG3 GLN 65 1HG GLN 65 -11.877 1.654 6.907 444 HE21 GLN 65 1HE2 GLN 65 -12.638 1.072 10.066 445 HE22 GLN 65 2HE2 GLN 65 -12.791 2.699 10.624 446 H GLU 66 H GLU 66 -15.937 -1.130 6.073 447 HA GLU 66 HA GLU 66 -14.753 -3.107 7.719 448 HB2 GLU 66 2HB GLU 66 -17.344 -2.350 7.080 449 HB3 GLU 66 1HB GLU 66 -17.206 -3.966 6.403 450 HG2 GLU 66 2HG GLU 66 -16.073 -3.957 9.020 451 HG3 GLU 66 1HG GLU 66 -17.677 -3.227 9.077 452 H LYS 67 H LYS 67 -15.910 -3.254 4.341 453 HA LYS 67 HA LYS 67 -15.167 -5.900 3.836 454 HB2 LYS 67 2HB LYS 67 -15.620 -3.504 2.104 455 HB3 LYS 67 1HB LYS 67 -14.936 -4.957 1.389 456 HG2 LYS 67 2HG LYS 67 -16.856 -6.202 1.767 457 HG3 LYS 67 1HG LYS 67 -17.448 -5.095 3.009 458 HD2 LYS 67 2HD LYS 67 -18.064 -3.473 1.409 459 HD3 LYS 67 1HD LYS 67 -17.141 -4.268 0.134 460 HE2 LYS 67 2HE LYS 67 -18.824 -6.260 0.816 461 HE3 LYS 67 1HE LYS 67 -19.834 -4.864 1.189 462 HZ1 LYS 67 3HZ LYS 67 -18.948 -4.148 -1.194 463 HZ2 LYS 67 1HZ LYS 67 -20.341 -5.088 -0.989 464 HZ3 LYS 67 2HZ LYS 67 -18.873 -5.827 -1.389 465 H TRP 68 H TRP 68 -13.318 -2.893 3.484 466 HA TRP 68 HA TRP 68 -11.039 -4.012 2.285 467 HB2 TRP 68 2HB TRP 68 -11.727 -1.476 3.606 468 HB3 TRP 68 1HB TRP 68 -10.025 -1.911 3.716 469 HD1 TRP 68 HD TRP 68 -11.943 0.237 1.724 470 HE1 TRP 68 1HE TRP 68 -11.088 0.443 -0.694 471 HE3 TRP 68 3HE TRP 68 -8.981 -3.931 1.544 472 HZ2 TRP 68 2HZ TRP 68 -9.385 -0.967 -2.446 473 HZ3 TRP 68 3HZ TRP 68 -7.773 -4.426 -0.541 474 HH2 TRP 68 HH TRP 68 -7.973 -2.975 -2.494 475 H ARG 69 H ARG 69 -11.932 -3.623 5.695 476 HA ARG 69 HA ARG 69 -9.494 -4.305 6.868 477 HB2 ARG 69 2HB ARG 69 -12.347 -4.542 7.756 478 HB3 ARG 69 1HB ARG 69 -11.074 -5.257 8.734 479 HG2 ARG 69 2HG ARG 69 -10.032 -3.130 9.054 480 HG3 ARG 69 1HG ARG 69 -11.126 -2.368 7.901 481 HD2 ARG 69 2HD ARG 69 -12.419 -3.792 10.129 482 HD3 ARG 69 1HD ARG 69 -11.497 -2.362 10.583 483 HE ARG 69 HE ARG 69 -12.994 -1.484 8.516 484 HH11 ARG 69 1HH1 ARG 69 -13.799 -3.186 11.470 485 HH12 ARG 69 2HH1 ARG 69 -15.386 -2.505 11.575 486 HH21 ARG 69 1HH2 ARG 69 -15.089 -0.586 8.667 487 HH22 ARG 69 2HH2 ARG 69 -16.119 -1.033 9.985 488 H ILE 70 H ILE 70 -12.255 -6.460 6.148 489 HA ILE 70 HA ILE 70 -10.871 -8.829 6.876 490 HB ILE 70 HB ILE 70 -13.253 -8.640 5.031 491 HG12 ILE 70 2HG1 ILE 70 -13.675 -9.310 7.876 492 HG13 ILE 70 1HG1 ILE 70 -13.201 -7.643 7.572 493 HG21 ILE 70 1HG2 ILE 70 -11.807 -10.813 5.422 494 HG22 ILE 70 2HG2 ILE 70 -13.566 -10.885 5.327 495 HG23 ILE 70 3HG2 ILE 70 -12.767 -10.904 6.898 496 HD11 ILE 70 3HD1 ILE 70 -15.589 -7.804 7.634 497 HD12 ILE 70 1HD1 ILE 70 -15.576 -9.080 6.417 498 HD13 ILE 70 2HD1 ILE 70 -15.080 -7.442 5.985 499 H ALA 71 H ALA 71 -11.534 -7.286 3.743 500 HA ALA 71 HA ALA 71 -10.478 -9.233 2.065 501 HB1 ALA 71 1HB ALA 71 -10.485 -6.237 1.726 502 HB2 ALA 71 2HB ALA 71 -11.712 -7.375 1.167 503 HB3 ALA 71 3HB ALA 71 -10.102 -7.388 0.448 504 H PHE 72 H PHE 72 -8.828 -6.589 3.769 505 HA PHE 72 HA PHE 72 -6.270 -7.115 2.630 506 HB2 PHE 72 2HB PHE 72 -7.337 -5.377 4.779 507 HB3 PHE 72 1HB PHE 72 -5.641 -5.825 4.920 508 HD1 PHE 72 2HD PHE 72 -4.503 -5.753 2.368 509 HD2 PHE 72 1HD PHE 72 -7.616 -3.285 3.896 510 HE1 PHE 72 2HE PHE 72 -3.905 -3.999 0.747 511 HE2 PHE 72 1HE PHE 72 -7.022 -1.530 2.278 512 HZ PHE 72 HZ PHE 72 -5.165 -1.887 0.702 513 H GLN 73 H GLN 73 -7.785 -8.013 5.734 514 HA GLN 73 HA GLN 73 -5.538 -9.334 6.799 515 HB2 GLN 73 2HB GLN 73 -7.918 -8.658 7.824 516 HB3 GLN 73 1HB GLN 73 -8.233 -10.360 7.506 517 HG2 GLN 73 2HG GLN 73 -6.591 -11.073 8.989 518 HG3 GLN 73 1HG GLN 73 -5.771 -9.515 8.980 519 HE21 GLN 73 1HE2 GLN 73 -7.410 -7.681 9.685 520 HE22 GLN 73 2HE2 GLN 73 -8.217 -8.009 11.177 521 H LYS 74 H LYS 74 -7.933 -10.378 4.474 522 HA LYS 74 HA LYS 74 -7.265 -13.171 4.729 523 HB2 LYS 74 2HB LYS 74 -9.432 -11.789 3.740 524 HB3 LYS 74 1HB LYS 74 -8.640 -12.358 2.281 525 HG2 LYS 74 2HG LYS 74 -9.333 -14.448 2.601 526 HG3 LYS 74 1HG LYS 74 -8.821 -14.439 4.290 527 HD2 LYS 74 2HD LYS 74 -11.212 -12.825 3.734 528 HD3 LYS 74 1HD LYS 74 -11.413 -14.553 3.440 529 HE2 LYS 74 2HE LYS 74 -10.269 -13.437 5.994 530 HE3 LYS 74 1HE LYS 74 -11.988 -13.749 5.766 531 HZ1 LYS 74 3HZ LYS 74 -11.031 -15.625 6.840 532 HZ2 LYS 74 1HZ LYS 74 -9.783 -15.737 5.702 533 HZ3 LYS 74 2HZ LYS 74 -11.374 -16.090 5.251 534 H VAL 75 H VAL 75 -6.331 -10.487 2.655 535 HA VAL 75 HA VAL 75 -4.936 -12.206 0.797 536 HB VAL 75 HB VAL 75 -4.920 -9.188 0.968 537 HG11 VAL 75 1HG1 VAL 75 -4.367 -9.729 -1.598 538 HG12 VAL 75 2HG1 VAL 75 -3.633 -11.143 -0.844 539 HG13 VAL 75 3HG1 VAL 75 -3.117 -9.525 -0.369 540 HG21 VAL 75 3HG2 VAL 75 -7.105 -10.629 0.445 541 HG22 VAL 75 1HG2 VAL 75 -6.386 -10.632 -1.166 542 HG23 VAL 75 2HG2 VAL 75 -6.758 -9.104 -0.368 543 H VAL 76 H VAL 76 -4.055 -9.913 3.373 544 HA VAL 76 HA VAL 76 -1.329 -11.006 3.231 545 HB VAL 76 HB VAL 76 -0.555 -8.809 4.217 546 HG11 VAL 76 1HG1 VAL 76 -0.716 -9.651 1.667 547 HG12 VAL 76 2HG1 VAL 76 0.022 -8.124 2.147 548 HG13 VAL 76 3HG1 VAL 76 -1.639 -8.152 1.554 549 HG21 VAL 76 3HG2 VAL 76 -1.934 -6.855 3.923 550 HG22 VAL 76 1HG2 VAL 76 -2.807 -8.026 4.908 551 HG23 VAL 76 2HG2 VAL 76 -3.222 -7.822 3.206 552 H GLY 77 H GLY 77 -3.856 -9.778 5.390 553 HA2 GLY 77 2HA GLY 77 -4.348 -10.693 7.504 554 HA3 GLY 77 1HA GLY 77 -2.769 -11.459 7.515 555 H SER 78 H SER 78 -3.413 -8.044 6.867 556 HA SER 78 HA SER 78 -2.299 -7.346 9.488 557 HB2 SER 78 2HB SER 78 -1.315 -6.279 6.830 558 HB3 SER 78 1HB SER 78 -0.875 -5.600 8.396 559 HG SER 78 HG SER 78 -0.247 -8.142 7.333 560 H ARG 79 H ARG 79 -3.801 -6.146 10.455 561 HA ARG 79 HA ARG 79 -5.542 -4.436 8.838 562 HB2 ARG 79 2HB ARG 79 -6.256 -6.125 10.767 563 HB3 ARG 79 1HB ARG 79 -5.918 -4.731 11.784 564 HG2 ARG 79 2HG ARG 79 -7.529 -4.023 9.485 565 HG3 ARG 79 1HG ARG 79 -8.283 -5.286 10.460 566 HD2 ARG 79 2HD ARG 79 -8.723 -3.879 12.143 567 HD3 ARG 79 1HD ARG 79 -7.132 -3.126 12.053 568 HE ARG 79 HE ARG 79 -8.411 -2.123 9.890 569 HH11 ARG 79 1HH1 ARG 79 -9.244 -2.274 13.293 570 HH12 ARG 79 2HH1 ARG 79 -10.201 -0.832 13.247 571 HH21 ARG 79 1HH2 ARG 79 -9.675 -0.225 9.842 572 HH22 ARG 79 2HH2 ARG 79 -10.446 0.328 11.291 573 H ASN 80 H ASN 80 -2.865 -3.594 9.111 574 HA ASN 80 HA ASN 80 -3.261 -1.101 10.608 575 HB2 ASN 80 2HB ASN 80 -1.792 -2.686 11.898 576 HB3 ASN 80 1HB ASN 80 -0.647 -2.624 10.562 577 HD21 ASN 80 1HD2 ASN 80 0.994 -1.698 11.740 578 HD22 ASN 80 2HD2 ASN 80 0.933 -0.073 12.322 579 H LEU 81 H LEU 81 -2.821 0.673 9.461 580 HA LEU 81 HA LEU 81 -1.576 0.358 6.825 581 HB2 LEU 81 2HB LEU 81 -3.535 2.250 8.015 582 HB3 LEU 81 1HB LEU 81 -2.452 2.898 6.799 583 HG LEU 81 HG LEU 81 -3.302 0.687 5.509 584 HD11 LEU 81 1HD1 LEU 81 -5.360 -0.046 6.071 585 HD12 LEU 81 2HD1 LEU 81 -5.891 1.537 6.638 586 HD13 LEU 81 3HD1 LEU 81 -4.887 0.522 7.671 587 HD21 LEU 81 3HD2 LEU 81 -3.309 3.090 4.779 588 HD22 LEU 81 1HD2 LEU 81 -4.885 3.248 5.556 589 HD23 LEU 81 2HD2 LEU 81 -4.674 2.129 4.210 590 HA PRO 82 HA PRO 82 -1.206 2.495 5.399 591 HB2 PRO 82 2HB PRO 82 1.487 2.682 4.293 592 HB3 PRO 82 1HB PRO 82 0.171 3.854 4.219 593 HG2 PRO 82 2HG PRO 82 2.414 4.266 5.677 594 HG3 PRO 82 1HG PRO 82 0.833 4.918 6.139 595 HD2 PRO 82 2HD PRO 82 2.267 2.506 7.192 596 HD3 PRO 82 1HD PRO 82 1.349 3.744 8.077 597 H THR 83 H THR 83 -1.521 0.931 3.867 598 HA THR 83 HA THR 83 0.073 -1.519 4.180 599 HB THR 83 HB THR 83 -2.722 -1.174 3.079 600 HG1 THR 83 1HG THR 83 -3.410 -1.912 5.003 601 HG21 THR 83 3HG2 THR 83 -2.410 -3.805 3.814 602 HG22 THR 83 1HG2 THR 83 -0.897 -3.423 2.991 603 HG23 THR 83 2HG2 THR 83 -2.436 -3.175 2.168 604 H ILE 84 H ILE 84 1.650 -1.536 2.718 605 HA ILE 84 HA ILE 84 1.084 -0.646 -0.022 606 HB ILE 84 HB ILE 84 3.769 -1.305 1.201 607 HG12 ILE 84 2HG1 ILE 84 2.968 1.508 0.625 608 HG13 ILE 84 1HG1 ILE 84 2.300 0.756 2.068 609 HG21 ILE 84 1HG2 ILE 84 3.490 -1.411 -1.310 610 HG22 ILE 84 2HG2 ILE 84 4.747 -0.329 -0.713 611 HG23 ILE 84 3HG2 ILE 84 3.205 0.329 -1.263 612 HD11 ILE 84 3HD1 ILE 84 5.199 1.166 1.401 613 HD12 ILE 84 1HD1 ILE 84 4.625 0.214 2.768 614 HD13 ILE 84 2HD1 ILE 84 4.267 1.937 2.683 615 H VAL 85 H VAL 85 0.398 -2.231 -1.311 616 HA VAL 85 HA VAL 85 1.480 -4.940 -0.950 617 HB VAL 85 HB VAL 85 -0.453 -5.615 -2.469 618 HG11 VAL 85 1HG1 VAL 85 -0.248 -5.520 0.202 619 HG12 VAL 85 2HG1 VAL 85 -1.675 -6.127 -0.638 620 HG13 VAL 85 3HG1 VAL 85 -1.652 -4.475 -0.021 621 HG21 VAL 85 3HG2 VAL 85 -0.927 -3.329 -3.308 622 HG22 VAL 85 1HG2 VAL 85 -1.508 -2.894 -1.701 623 HG23 VAL 85 2HG2 VAL 85 -2.346 -4.133 -2.635 624 H VAL 86 H VAL 86 3.022 -5.553 -2.303 625 HA VAL 86 HA VAL 86 3.034 -4.427 -5.032 626 HB VAL 86 HB VAL 86 5.483 -5.254 -3.468 627 HG11 VAL 86 1HG1 VAL 86 6.344 -3.580 -5.406 628 HG12 VAL 86 2HG1 VAL 86 4.985 -4.349 -6.224 629 HG13 VAL 86 3HG1 VAL 86 6.292 -5.334 -5.568 630 HG21 VAL 86 3HG2 VAL 86 4.196 -3.213 -2.597 631 HG22 VAL 86 1HG2 VAL 86 4.712 -2.418 -4.085 632 HG23 VAL 86 2HG2 VAL 86 5.913 -3.014 -2.940 633 H ASN 87 H ASN 87 2.459 -5.948 -6.429 634 HA ASN 87 HA ASN 87 2.366 -7.896 -7.591 635 HB2 ASN 87 2HB ASN 87 4.804 -8.662 -5.971 636 HB3 ASN 87 1HB ASN 87 4.213 -9.513 -7.391 637 HD21 ASN 87 1HD2 ASN 87 6.422 -7.339 -6.342 638 HD22 ASN 87 2HD2 ASN 87 6.745 -6.513 -7.825 639 H GLY 88 H GLY 88 0.680 -7.633 -5.418 640 HA2 GLY 88 2HA GLY 88 -0.757 -8.864 -4.118 641 HA3 GLY 88 1HA GLY 88 -0.204 -10.258 -5.025 642 H LYS 89 H LYS 89 1.403 -8.098 -2.702 643 HA LYS 89 HA LYS 89 1.466 -9.937 -0.592 644 HB2 LYS 89 2HB LYS 89 3.924 -10.439 -0.634 645 HB3 LYS 89 1HB LYS 89 2.992 -11.252 -1.884 646 HG2 LYS 89 2HG LYS 89 3.863 -9.913 -3.576 647 HG3 LYS 89 1HG LYS 89 4.397 -8.669 -2.444 648 HD2 LYS 89 2HD LYS 89 6.350 -9.802 -3.146 649 HD3 LYS 89 1HD LYS 89 6.007 -10.383 -1.516 650 HE2 LYS 89 2HE LYS 89 5.230 -12.449 -2.292 651 HE3 LYS 89 1HE LYS 89 5.008 -11.851 -3.936 652 HZ1 LYS 89 3HZ LYS 89 6.943 -13.254 -3.821 653 HZ2 LYS 89 1HZ LYS 89 7.606 -12.322 -2.574 654 HZ3 LYS 89 2HZ LYS 89 7.432 -11.665 -4.122 655 H PHE 90 H PHE 90 2.086 -8.972 1.247 656 HA PHE 90 HA PHE 90 2.328 -6.179 1.373 657 HB2 PHE 90 2HB PHE 90 1.738 -8.140 3.169 658 HB3 PHE 90 1HB PHE 90 3.362 -7.708 3.680 659 HD1 PHE 90 2HD PHE 90 3.834 -5.292 4.272 660 HD2 PHE 90 1HD PHE 90 -0.100 -6.812 3.713 661 HE1 PHE 90 2HE PHE 90 2.916 -3.380 5.521 662 HE2 PHE 90 1HE PHE 90 -1.021 -4.906 4.962 663 HZ PHE 90 HZ PHE 90 0.489 -3.187 5.870 664 H TRP 91 H TRP 91 4.035 -5.387 0.206 665 HA TRP 91 HA TRP 91 6.723 -6.339 0.850 666 HB2 TRP 91 2HB TRP 91 5.655 -5.802 -1.553 667 HB3 TRP 91 1HB TRP 91 6.318 -4.214 -1.184 668 HD1 TRP 91 HD TRP 91 8.519 -3.991 -2.457 669 HE1 TRP 91 1HE TRP 91 10.590 -5.470 -2.842 670 HE3 TRP 91 3HE TRP 91 6.950 -8.240 -0.070 671 HZ2 TRP 91 2HZ TRP 91 11.446 -8.086 -2.221 672 HZ3 TRP 91 3HZ TRP 91 8.459 -10.184 -0.013 673 HH2 TRP 91 HH TRP 91 10.660 -10.106 -1.068 674 H GLY 92 H GLY 92 4.653 -3.527 1.230 675 HA2 GLY 92 2HA GLY 92 6.895 -2.187 2.618 676 HA3 GLY 92 1HA GLY 92 5.691 -1.307 1.704 677 H THR 93 H THR 93 6.621 -1.492 4.625 678 HA THR 93 HA THR 93 3.926 -1.650 5.813 679 HB THR 93 HB THR 93 5.809 -1.939 7.883 680 HG1 THR 93 1HG THR 93 7.275 -3.311 7.213 681 HG21 THR 93 3HG2 THR 93 4.390 -4.240 6.600 682 HG22 THR 93 1HG2 THR 93 3.554 -3.046 7.594 683 HG23 THR 93 2HG2 THR 93 4.844 -4.027 8.290 684 H GLU 94 H GLU 94 4.162 -0.503 8.158 685 HA GLU 94 HA GLU 94 4.426 2.264 7.597 686 HB2 GLU 94 2HB GLU 94 2.977 1.017 9.386 687 HB3 GLU 94 1HB GLU 94 4.410 1.176 10.393 688 HG2 GLU 94 2HG GLU 94 3.059 3.502 9.050 689 HG3 GLU 94 1HG GLU 94 2.687 2.963 10.685 690 H SER 95 H SER 95 6.329 0.067 9.662 691 HA SER 95 HA SER 95 8.322 1.998 10.282 692 HB2 SER 95 2HB SER 95 7.658 -0.360 11.393 693 HB3 SER 95 1HB SER 95 9.027 -0.885 10.414 694 HG SER 95 HG SER 95 9.361 -0.014 12.686 695 H GLN 96 H GLN 96 7.953 -0.373 7.714 696 HA GLN 96 HA GLN 96 10.536 -0.625 6.797 697 HB2 GLN 96 2HB GLN 96 8.293 -1.655 5.943 698 HB3 GLN 96 1HB GLN 96 8.302 -0.289 4.836 699 HG2 GLN 96 2HG GLN 96 9.545 -1.527 3.485 700 HG3 GLN 96 1HG GLN 96 10.861 -1.324 4.640 701 HE21 GLN 96 1HE2 GLN 96 7.946 -3.323 4.232 702 HE22 GLN 96 2HE2 GLN 96 8.693 -4.805 4.706 703 H LEU 97 H LEU 97 8.340 2.093 6.372 704 HA LEU 97 HA LEU 97 9.543 3.472 4.304 705 HB2 LEU 97 2HB LEU 97 8.442 4.779 6.793 706 HB3 LEU 97 1HB LEU 97 8.565 5.483 5.193 707 HG LEU 97 HG LEU 97 6.751 3.195 5.964 708 HD11 LEU 97 1HD1 LEU 97 6.265 5.591 6.797 709 HD12 LEU 97 2HD1 LEU 97 4.978 4.687 5.997 710 HD13 LEU 97 3HD1 LEU 97 5.869 5.924 5.111 711 HD21 LEU 97 3HD2 LEU 97 7.584 3.129 3.619 712 HD22 LEU 97 1HD2 LEU 97 6.886 4.730 3.370 713 HD23 LEU 97 2HD2 LEU 97 5.840 3.360 3.747 714 H HIS 98 H HIS 98 10.226 4.007 7.782 715 HA HIS 98 HA HIS 98 12.589 5.530 7.165 716 HB2 HIS 98 2HB HIS 98 11.087 5.913 9.174 717 HB3 HIS 98 1HB HIS 98 11.789 4.461 9.875 718 HD1 HIS 98 1HD HIS 98 13.874 6.975 7.991 719 HD2 HIS 98 2HD HIS 98 13.110 5.802 11.907 720 HE1 HIS 98 1HE HIS 98 15.588 8.162 9.399 721 HE2 HIS 98 2HE HIS 98 15.146 7.389 11.755 722 H ARG 99 H ARG 99 11.875 2.226 8.129 723 HA ARG 99 HA ARG 99 14.409 1.399 8.947 724 HB2 ARG 99 2HB ARG 99 11.992 0.040 7.894 725 HB3 ARG 99 1HB ARG 99 13.495 -0.866 7.820 726 HG2 ARG 99 2HG ARG 99 12.651 0.443 10.371 727 HG3 ARG 99 1HG ARG 99 11.963 -1.106 9.883 728 HD2 ARG 99 2HD ARG 99 13.751 -1.832 11.111 729 HD3 ARG 99 1HD ARG 99 14.490 -1.740 9.514 730 HE ARG 99 HE ARG 99 15.814 -0.021 10.255 731 HH11 ARG 99 1HH1 ARG 99 13.238 -0.542 12.574 732 HH12 ARG 99 2HH1 ARG 99 13.927 0.512 13.762 733 HH21 ARG 99 1HH2 ARG 99 16.714 1.372 11.829 734 HH22 ARG 99 2HH2 ARG 99 15.897 1.597 13.339 735 H PHE 100 H PHE 100 12.980 1.307 5.696 736 HA PHE 100 HA PHE 100 15.344 0.282 4.461 737 HB2 PHE 100 2HB PHE 100 12.656 1.036 3.609 738 HB3 PHE 100 1HB PHE 100 13.885 1.484 2.433 739 HD1 PHE 100 1HD PHE 100 12.983 -1.429 4.588 740 HD2 PHE 100 2HD PHE 100 14.418 -0.060 0.821 741 HE1 PHE 100 1HE PHE 100 13.057 -3.749 3.777 742 HE2 PHE 100 2HE PHE 100 14.495 -2.380 0.005 743 HZ PHE 100 HZ PHE 100 13.816 -4.227 1.484 744 H GLU 101 H GLU 101 13.949 3.517 4.849 745 HA GLU 101 HA GLU 101 15.704 4.916 3.172 746 HB2 GLU 101 2HB GLU 101 13.557 5.642 4.624 747 HB3 GLU 101 1HB GLU 101 14.830 6.258 5.669 748 HG2 GLU 101 2HG GLU 101 14.587 6.924 2.745 749 HG3 GLU 101 1HG GLU 101 13.929 7.910 4.051 750 H ALA 102 H ALA 102 15.913 4.222 6.638 751 HA ALA 102 HA ALA 102 18.361 5.530 7.114 752 HB1 ALA 102 1HB ALA 102 16.527 4.455 8.723 753 HB2 ALA 102 2HB ALA 102 18.183 4.760 9.242 754 HB3 ALA 102 3HB ALA 102 17.702 3.140 8.734 755 H LYS 103 H LYS 103 17.606 2.288 5.960 756 HA LYS 103 HA LYS 103 20.268 1.280 6.238 757 HB2 LYS 103 2HB LYS 103 17.763 0.315 4.906 758 HB3 LYS 103 1HB LYS 103 19.295 -0.475 4.564 759 HG2 LYS 103 2HG LYS 103 19.375 -0.445 7.254 760 HG3 LYS 103 1HG LYS 103 17.633 -0.537 6.989 761 HD2 LYS 103 2HD LYS 103 19.276 -2.344 5.335 762 HD3 LYS 103 1HD LYS 103 19.268 -2.687 7.066 763 HE2 LYS 103 2HE LYS 103 16.727 -2.523 6.919 764 HE3 LYS 103 1HE LYS 103 16.937 -2.589 5.169 765 HZ1 LYS 103 3HZ LYS 103 18.285 -4.648 6.738 766 HZ2 LYS 103 1HZ LYS 103 17.529 -4.756 5.228 767 HZ3 LYS 103 2HZ LYS 103 16.599 -4.748 6.640 768 H GLY 104 H GLY 104 18.531 3.035 3.768 769 HA2 GLY 104 2HA GLY 104 19.492 4.199 1.980 770 HA3 GLY 104 1HA GLY 104 20.990 3.320 2.240 771 H THR 105 H THR 105 18.022 1.533 2.043 772 HA THR 105 HA THR 105 18.810 0.579 -0.630 773 HB THR 105 HB THR 105 17.452 -1.500 0.102 774 HG1 THR 105 1HG THR 105 16.598 -0.508 2.009 775 HG21 THR 105 3HG2 THR 105 19.397 -2.510 0.459 776 HG22 THR 105 1HG2 THR 105 19.736 -1.527 1.885 777 HG23 THR 105 2HG2 THR 105 20.136 -0.919 0.278 778 H LEU 106 H LEU 106 16.559 2.528 0.779 779 HA LEU 106 HA LEU 106 14.102 1.639 -0.235 780 HB2 LEU 106 2HB LEU 106 14.794 3.663 1.349 781 HB3 LEU 106 1HB LEU 106 14.675 4.560 -0.152 782 HG LEU 106 HG LEU 106 12.354 2.853 0.302 783 HD11 LEU 106 1HD1 LEU 106 11.452 3.823 2.209 784 HD12 LEU 106 2HD1 LEU 106 12.612 5.151 2.206 785 HD13 LEU 106 3HD1 LEU 106 13.130 3.529 2.659 786 HD21 LEU 106 3HD2 LEU 106 11.365 5.303 0.104 787 HD22 LEU 106 1HD2 LEU 106 11.965 4.424 -1.301 788 HD23 LEU 106 2HD2 LEU 106 12.981 5.637 -0.521 789 H GLU 107 H GLU 107 16.526 3.820 -1.675 790 HA GLU 107 HA GLU 107 15.078 4.259 -4.078 791 HB2 GLU 107 2HB GLU 107 17.844 4.797 -3.127 792 HB3 GLU 107 1HB GLU 107 17.581 4.791 -4.866 793 HG2 GLU 107 2HG GLU 107 16.029 6.562 -4.737 794 HG3 GLU 107 1HG GLU 107 15.905 6.423 -2.985 795 H GLU 108 H GLU 108 17.738 2.046 -3.250 796 HA GLU 108 HA GLU 108 18.091 0.917 -5.785 797 HB2 GLU 108 2HB GLU 108 19.633 0.613 -3.855 798 HB3 GLU 108 1HB GLU 108 18.449 -0.455 -3.113 799 HG2 GLU 108 2HG GLU 108 18.697 -2.060 -4.863 800 HG3 GLU 108 1HG GLU 108 19.699 -0.957 -5.803 801 H GLU 109 H GLU 109 15.977 -0.064 -3.103 802 HA GLU 109 HA GLU 109 14.911 -2.373 -4.279 803 HB2 GLU 109 2HB GLU 109 14.664 -1.640 -1.876 804 HB3 GLU 109 1HB GLU 109 13.438 -0.502 -2.418 805 HG2 GLU 109 2HG GLU 109 12.057 -2.190 -1.867 806 HG3 GLU 109 1HG GLU 109 12.446 -2.736 -3.497 807 H LEU 110 H LEU 110 13.926 1.023 -4.512 808 HA LEU 110 HA LEU 110 11.520 0.618 -5.913 809 HB2 LEU 110 2HB LEU 110 12.750 2.785 -4.856 810 HB3 LEU 110 1HB LEU 110 13.054 3.057 -6.560 811 HG LEU 110 HG LEU 110 10.543 2.751 -6.907 812 HD11 LEU 110 1HD1 LEU 110 10.733 2.627 -3.955 813 HD12 LEU 110 2HD1 LEU 110 9.585 1.863 -5.054 814 HD13 LEU 110 3HD1 LEU 110 9.405 3.568 -4.637 815 HD21 LEU 110 3HD2 LEU 110 11.943 5.049 -5.673 816 HD22 LEU 110 1HD2 LEU 110 10.182 5.118 -5.722 817 HD23 LEU 110 2HD2 LEU 110 11.098 4.926 -7.216 818 H THR 111 H THR 111 14.849 1.043 -7.069 819 HA THR 111 HA THR 111 14.070 1.011 -9.838 820 HB THR 111 HB THR 111 16.863 0.474 -8.846 821 HG1 THR 111 1HG THR 111 16.835 2.348 -7.924 822 HG21 THR 111 3HG2 THR 111 16.230 2.300 -11.091 823 HG22 THR 111 1HG2 THR 111 16.052 0.566 -11.359 824 HG23 THR 111 2HG2 THR 111 17.608 1.226 -10.854 825 H LYS 112 H LYS 112 15.161 -1.354 -7.475 826 HA LYS 112 HA LYS 112 15.750 -3.450 -9.281 827 HB2 LYS 112 2HB LYS 112 16.292 -3.173 -6.735 828 HB3 LYS 112 1HB LYS 112 14.744 -3.974 -6.507 829 HG2 LYS 112 2HG LYS 112 15.487 -5.959 -7.448 830 HG3 LYS 112 1HG LYS 112 16.820 -5.173 -8.296 831 HD2 LYS 112 2HD LYS 112 17.771 -4.653 -5.991 832 HD3 LYS 112 1HD LYS 112 16.581 -5.791 -5.361 833 HE2 LYS 112 2HE LYS 112 18.758 -6.857 -5.706 834 HE3 LYS 112 1HE LYS 112 17.515 -7.564 -6.737 835 HZ1 LYS 112 3HZ LYS 112 19.089 -5.379 -7.868 836 HZ2 LYS 112 1HZ LYS 112 18.491 -6.779 -8.607 837 HZ3 LYS 112 2HZ LYS 112 19.883 -6.856 -7.650 838 H ILE 113 H ILE 113 12.788 -2.602 -7.491 839 HA ILE 113 HA ILE 113 11.265 -4.839 -8.238 840 HB ILE 113 HB ILE 113 9.259 -3.483 -7.744 841 HG12 ILE 113 2HG1 ILE 113 11.009 -1.200 -6.918 842 HG13 ILE 113 1HG1 ILE 113 10.507 -1.326 -8.600 843 HG21 ILE 113 1HG2 ILE 113 10.251 -2.737 -5.355 844 HG22 ILE 113 2HG2 ILE 113 11.526 -3.825 -5.900 845 HG23 ILE 113 3HG2 ILE 113 9.864 -4.403 -5.785 846 HD11 ILE 113 3HD1 ILE 113 9.125 -0.022 -6.704 847 HD12 ILE 113 1HD1 ILE 113 8.361 -1.610 -6.616 848 HD13 ILE 113 2HD1 ILE 113 8.394 -0.730 -8.145 849 H GLY 114 H GLY 114 12.124 -1.996 -10.037 850 HA2 GLY 114 2HA GLY 114 11.994 -2.159 -12.462 851 HA3 GLY 114 1HA GLY 114 10.450 -2.971 -12.263 852 H LEU 115 H LEU 115 11.120 -0.236 -10.241 853 HA LEU 115 HA LEU 115 8.977 1.237 -11.538 854 HB2 LEU 115 2HB LEU 115 9.465 0.912 -8.965 855 HB3 LEU 115 1HB LEU 115 10.505 2.301 -9.206 856 HG LEU 115 HG LEU 115 7.671 2.447 -10.140 857 HD11 LEU 115 1HD1 LEU 115 8.582 2.704 -7.280 858 HD12 LEU 115 2HD1 LEU 115 7.401 1.567 -7.928 859 HD13 LEU 115 3HD1 LEU 115 7.037 3.292 -7.891 860 HD21 LEU 115 3HD2 LEU 115 7.941 4.773 -9.744 861 HD22 LEU 115 1HD2 LEU 115 9.392 4.225 -10.582 862 HD23 LEU 115 2HD2 LEU 115 9.435 4.514 -8.842 863 H LEU 116 H LEU 116 12.332 1.923 -10.522 864 HA LEU 116 HA LEU 116 12.420 4.245 -12.273 865 HB2 LEU 116 2HB LEU 116 13.929 3.267 -9.972 866 HB3 LEU 116 1HB LEU 116 14.959 3.903 -11.238 867 HG LEU 116 HG LEU 116 13.553 6.004 -11.188 868 HD11 LEU 116 1HD1 LEU 116 12.646 5.112 -8.481 869 HD12 LEU 116 2HD1 LEU 116 11.689 4.728 -9.912 870 HD13 LEU 116 3HD1 LEU 116 12.024 6.409 -9.500 871 HD21 LEU 116 3HD2 LEU 116 14.538 6.627 -8.831 872 HD22 LEU 116 1HD2 LEU 116 15.597 6.326 -10.208 873 HD23 LEU 116 2HD2 LEU 116 15.344 5.068 -8.999 874 HA PRO 117 HA PRO 117 14.135 2.228 -15.812 875 HB2 PRO 117 2HB PRO 117 15.858 4.647 -16.019 876 HB3 PRO 117 1HB PRO 117 14.793 3.918 -17.225 877 HG2 PRO 117 2HG PRO 117 14.084 6.151 -15.965 878 HG3 PRO 117 1HG PRO 117 12.889 4.892 -16.327 879 HD2 PRO 117 2HD PRO 117 14.212 5.565 -13.733 880 HD3 PRO 117 1HD PRO 117 12.547 5.036 -14.049 Start of MODEL 7 1 H MET 9 1HT MET 9 -15.810 -11.019 1.963 2 HA MET 9 HA MET 9 -17.505 -12.794 1.887 3 HB2 MET 9 2HB MET 9 -18.945 -10.541 0.510 4 HB3 MET 9 1HB MET 9 -19.297 -12.210 0.087 5 HG2 MET 9 2HG MET 9 -19.492 -12.359 2.764 6 HG3 MET 9 1HG MET 9 -19.973 -10.682 2.510 7 HE1 MET 9 2HE MET 9 -21.960 -12.877 3.810 8 HE2 MET 9 3HE MET 9 -21.114 -14.127 2.900 9 HE3 MET 9 1HE MET 9 -22.841 -13.876 2.654 10 H SER 10 H SER 10 -17.491 -14.196 0.041 11 HA SER 10 HA SER 10 -15.184 -14.140 -1.477 12 HB2 SER 10 2HB SER 10 -17.523 -15.489 -2.711 13 HB3 SER 10 1HB SER 10 -15.904 -16.108 -2.385 14 HG SER 10 HG SER 10 -16.465 -16.492 -0.294 15 H ALA 11 H ALA 11 -18.356 -12.802 -2.246 16 HA ALA 11 HA ALA 11 -18.059 -12.313 -4.963 17 HB1 ALA 11 1HB ALA 11 -19.449 -10.435 -3.066 18 HB2 ALA 11 2HB ALA 11 -20.132 -11.981 -3.567 19 HB3 ALA 11 3HB ALA 11 -19.812 -10.729 -4.766 20 H PHE 12 H PHE 12 -16.778 -10.538 -2.213 21 HA PHE 12 HA PHE 12 -15.658 -8.499 -3.986 22 HB2 PHE 12 2HB PHE 12 -16.308 -8.642 -1.108 23 HB3 PHE 12 1HB PHE 12 -14.841 -7.756 -1.508 24 HD1 PHE 12 1HD PHE 12 -15.137 -6.057 -3.536 25 HD2 PHE 12 2HD PHE 12 -18.277 -7.467 -1.032 26 HE1 PHE 12 1HE PHE 12 -16.479 -4.074 -4.107 27 HE2 PHE 12 2HE PHE 12 -19.624 -5.488 -1.600 28 HZ PHE 12 HZ PHE 12 -18.725 -3.788 -3.139 29 H VAL 13 H VAL 13 -14.655 -11.069 -1.759 30 HA VAL 13 HA VAL 13 -11.914 -10.526 -1.679 31 HB VAL 13 HB VAL 13 -13.165 -13.279 -1.636 32 HG11 VAL 13 1HG1 VAL 13 -10.785 -12.687 -0.014 33 HG12 VAL 13 2HG1 VAL 13 -10.525 -12.680 -1.759 34 HG13 VAL 13 3HG1 VAL 13 -11.183 -14.113 -0.971 35 HG21 VAL 13 3HG2 VAL 13 -13.994 -12.882 0.390 36 HG22 VAL 13 1HG2 VAL 13 -13.657 -11.172 0.117 37 HG23 VAL 13 2HG2 VAL 13 -12.473 -12.181 0.947 38 H THR 14 H THR 14 -13.740 -12.581 -3.944 39 HA THR 14 HA THR 14 -11.547 -13.428 -5.481 40 HB THR 14 HB THR 14 -14.342 -12.992 -6.540 41 HG1 THR 14 1HG THR 14 -14.852 -14.255 -4.924 42 HG21 THR 14 3HG2 THR 14 -13.851 -15.082 -7.794 43 HG22 THR 14 1HG2 THR 14 -12.176 -14.952 -7.248 44 HG23 THR 14 2HG2 THR 14 -12.873 -13.694 -8.271 45 H LYS 15 H LYS 15 -13.705 -10.626 -5.829 46 HA LYS 15 HA LYS 15 -12.621 -9.662 -8.246 47 HB2 LYS 15 2HB LYS 15 -14.205 -8.391 -6.034 48 HB3 LYS 15 1HB LYS 15 -13.569 -7.412 -7.348 49 HG2 LYS 15 2HG LYS 15 -14.788 -9.517 -8.651 50 HG3 LYS 15 1HG LYS 15 -15.862 -9.189 -7.290 51 HD2 LYS 15 2HD LYS 15 -14.834 -6.942 -8.981 52 HD3 LYS 15 1HD LYS 15 -16.202 -7.911 -9.527 53 HE2 LYS 15 2HE LYS 15 -17.589 -7.131 -7.890 54 HE3 LYS 15 1HE LYS 15 -16.272 -6.866 -6.748 55 HZ1 LYS 15 3HZ LYS 15 -16.716 -4.727 -7.280 56 HZ2 LYS 15 1HZ LYS 15 -17.326 -5.096 -8.813 57 HZ3 LYS 15 2HZ LYS 15 -15.655 -5.048 -8.556 58 H ALA 16 H ALA 16 -11.700 -9.188 -4.884 59 HA ALA 16 HA ALA 16 -9.926 -7.041 -5.214 60 HB1 ALA 16 1HB ALA 16 -10.376 -7.428 -3.002 61 HB2 ALA 16 2HB ALA 16 -8.797 -8.197 -3.138 62 HB3 ALA 16 3HB ALA 16 -10.260 -9.181 -3.169 63 H GLU 17 H GLU 17 -9.377 -10.548 -5.384 64 HA GLU 17 HA GLU 17 -6.594 -10.461 -5.767 65 HB2 GLU 17 2HB GLU 17 -8.421 -12.547 -6.955 66 HB3 GLU 17 1HB GLU 17 -6.741 -12.732 -6.473 67 HG2 GLU 17 2HG GLU 17 -7.920 -11.956 -4.136 68 HG3 GLU 17 1HG GLU 17 -9.183 -12.928 -4.890 69 H GLU 18 H GLU 18 -9.280 -10.199 -8.032 70 HA GLU 18 HA GLU 18 -7.711 -10.347 -10.397 71 HB2 GLU 18 2HB GLU 18 -10.447 -9.156 -9.908 72 HB3 GLU 18 1HB GLU 18 -9.728 -9.379 -11.499 73 HG2 GLU 18 2HG GLU 18 -9.524 -11.854 -10.813 74 HG3 GLU 18 1HG GLU 18 -10.694 -11.444 -9.563 75 H MET 19 H MET 19 -8.631 -7.732 -8.234 76 HA MET 19 HA MET 19 -7.892 -5.590 -9.949 77 HB2 MET 19 2HB MET 19 -9.084 -5.837 -7.431 78 HB3 MET 19 1HB MET 19 -7.585 -4.967 -7.133 79 HG2 MET 19 2HG MET 19 -9.570 -4.159 -9.238 80 HG3 MET 19 1HG MET 19 -9.599 -3.550 -7.585 81 HE1 MET 19 3HE MET 19 -9.743 -1.557 -9.501 82 HE2 MET 19 1HE MET 19 -8.767 -2.062 -10.880 83 HE3 MET 19 2HE MET 19 -8.296 -0.648 -9.937 84 H ILE 20 H ILE 20 -6.181 -7.230 -7.279 85 HA ILE 20 HA ILE 20 -3.811 -5.690 -7.539 86 HB ILE 20 HB ILE 20 -2.786 -7.508 -6.149 87 HG12 ILE 20 2HG1 ILE 20 -5.527 -8.591 -5.673 88 HG13 ILE 20 1HG1 ILE 20 -4.622 -9.177 -7.064 89 HG21 ILE 20 1HG2 ILE 20 -3.988 -6.900 -4.125 90 HG22 ILE 20 2HG2 ILE 20 -5.331 -6.297 -5.096 91 HG23 ILE 20 3HG2 ILE 20 -3.761 -5.497 -5.170 92 HD11 ILE 20 3HD1 ILE 20 -2.765 -9.750 -5.490 93 HD12 ILE 20 1HD1 ILE 20 -4.246 -10.683 -5.279 94 HD13 ILE 20 2HD1 ILE 20 -3.865 -9.370 -4.167 95 H LYS 21 H LYS 21 -5.097 -8.263 -9.369 96 HA LYS 21 HA LYS 21 -2.790 -9.639 -10.145 97 HB2 LYS 21 2HB LYS 21 -5.380 -10.022 -10.611 98 HB3 LYS 21 1HB LYS 21 -4.977 -9.216 -12.119 99 HG2 LYS 21 2HG LYS 21 -3.036 -10.980 -12.180 100 HG3 LYS 21 1HG LYS 21 -4.104 -11.869 -11.090 101 HD2 LYS 21 2HD LYS 21 -5.928 -11.608 -12.763 102 HD3 LYS 21 1HD LYS 21 -4.757 -10.875 -13.862 103 HE2 LYS 21 2HE LYS 21 -3.408 -12.950 -13.727 104 HE3 LYS 21 1HE LYS 21 -4.677 -13.673 -12.738 105 HZ1 LYS 21 3HZ LYS 21 -6.070 -13.875 -14.507 106 HZ2 LYS 21 1HZ LYS 21 -4.598 -14.003 -15.331 107 HZ3 LYS 21 2HZ LYS 21 -5.440 -12.536 -15.327 108 H SER 22 H SER 22 -4.556 -7.145 -12.005 109 HA SER 22 HA SER 22 -2.255 -6.703 -13.705 110 HB2 SER 22 2HB SER 22 -5.106 -5.871 -13.714 111 HB3 SER 22 1HB SER 22 -3.962 -4.763 -14.473 112 HG SER 22 HG SER 22 -3.426 -6.292 -15.933 113 H HIS 23 H HIS 23 -3.563 -5.377 -10.816 114 HA HIS 23 HA HIS 23 -1.723 -3.091 -11.042 115 HB2 HIS 23 2HB HIS 23 -4.467 -3.278 -9.843 116 HB3 HIS 23 1HB HIS 23 -3.318 -2.101 -9.218 117 HD1 HIS 23 1HD HIS 23 -2.310 -0.439 -11.165 118 HD2 HIS 23 2HD HIS 23 -5.879 -2.404 -11.980 119 HE1 HIS 23 1HE HIS 23 -3.367 0.841 -13.052 120 HE2 HIS 23 2HE HIS 23 -5.565 -0.316 -13.472 121 HA PRO 24 HA PRO 24 -0.398 -5.917 -7.557 122 HB2 PRO 24 2HB PRO 24 2.219 -6.030 -8.271 123 HB3 PRO 24 1HB PRO 24 0.998 -7.137 -8.910 124 HG2 PRO 24 2HG PRO 24 2.159 -4.671 -10.154 125 HG3 PRO 24 1HG PRO 24 1.831 -6.251 -10.893 126 HD2 PRO 24 2HD PRO 24 0.177 -4.134 -11.205 127 HD3 PRO 24 1HD PRO 24 -0.415 -5.808 -11.150 128 H TYR 25 H TYR 25 0.610 -2.826 -8.798 129 HA TYR 25 HA TYR 25 2.181 -2.201 -6.427 130 HB2 TYR 25 2HB TYR 25 1.729 -0.922 -9.083 131 HB3 TYR 25 1HB TYR 25 2.155 0.126 -7.737 132 HD1 TYR 25 2HD TYR 25 4.103 -1.453 -6.243 133 HD2 TYR 25 1HD TYR 25 3.589 -1.065 -10.450 134 HE1 TYR 25 2HE TYR 25 6.479 -1.990 -6.577 135 HE2 TYR 25 1HE TYR 25 5.963 -1.602 -10.795 136 HH TYR 25 HH TYR 25 8.086 -1.491 -9.506 137 H PHE 26 H PHE 26 0.127 -2.582 -5.143 138 HA PHE 26 HA PHE 26 -1.591 -0.196 -5.137 139 HB2 PHE 26 2HB PHE 26 -2.155 -2.999 -4.863 140 HB3 PHE 26 1HB PHE 26 -2.654 -2.161 -3.400 141 HD1 PHE 26 1HD PHE 26 -2.955 -1.990 -7.105 142 HD2 PHE 26 2HD PHE 26 -4.702 -1.073 -3.332 143 HE1 PHE 26 1HE PHE 26 -5.006 -1.245 -8.240 144 HE2 PHE 26 2HE PHE 26 -6.756 -0.328 -4.463 145 HZ PHE 26 HZ PHE 26 -6.910 -0.414 -6.918 146 H GLN 27 H GLN 27 -1.816 1.050 -3.323 147 HA GLN 27 HA GLN 27 -0.271 0.271 -0.942 148 HB2 GLN 27 2HB GLN 27 0.616 2.179 -2.616 149 HB3 GLN 27 1HB GLN 27 -0.434 3.157 -1.602 150 HG2 GLN 27 2HG GLN 27 0.814 2.079 0.368 151 HG3 GLN 27 1HG GLN 27 2.010 1.611 -0.839 152 HE21 GLN 27 1HE2 GLN 27 3.129 3.261 -1.977 153 HE22 GLN 27 2HE2 GLN 27 3.281 4.846 -1.310 154 H LEU 28 H LEU 28 -1.410 0.314 0.879 155 HA LEU 28 HA LEU 28 -4.022 1.646 0.872 156 HB2 LEU 28 2HB LEU 28 -2.909 -0.756 2.143 157 HB3 LEU 28 1HB LEU 28 -3.913 0.214 3.203 158 HG LEU 28 HG LEU 28 -5.798 0.006 1.705 159 HD11 LEU 28 1HD1 LEU 28 -5.493 -1.633 -0.261 160 HD12 LEU 28 2HD1 LEU 28 -3.780 -1.246 -0.116 161 HD13 LEU 28 3HD1 LEU 28 -4.947 0.031 -0.453 162 HD21 LEU 28 3HD2 LEU 28 -5.256 -1.821 3.349 163 HD22 LEU 28 1HD2 LEU 28 -4.560 -2.722 2.002 164 HD23 LEU 28 2HD2 LEU 28 -6.273 -2.303 1.990 165 H SER 29 H SER 29 -4.075 3.618 1.707 166 HA SER 29 HA SER 29 -2.913 4.133 4.305 167 HB2 SER 29 2HB SER 29 -1.912 6.351 3.193 168 HB3 SER 29 1HB SER 29 -0.978 4.862 3.311 169 HG SER 29 HG SER 29 -1.776 6.185 1.111 170 H ALA 30 H ALA 30 -3.319 6.589 4.852 171 HA ALA 30 HA ALA 30 -5.881 7.477 3.728 172 HB1 ALA 30 1HB ALA 30 -5.439 6.434 6.389 173 HB2 ALA 30 2HB ALA 30 -6.951 6.834 5.572 174 HB3 ALA 30 3HB ALA 30 -6.058 8.084 6.438 175 H SER 31 H SER 31 -6.450 9.729 4.611 176 HA SER 31 HA SER 31 -4.025 11.379 4.475 177 HB2 SER 31 2HB SER 31 -5.921 11.645 2.785 178 HB3 SER 31 1HB SER 31 -6.860 12.343 4.103 179 HG SER 31 HG SER 31 -4.346 13.295 3.182 180 H TRP 32 H TRP 32 -6.436 10.384 6.686 181 HA TRP 32 HA TRP 32 -6.277 12.751 8.350 182 HB2 TRP 32 2HB TRP 32 -8.339 11.226 8.037 183 HB3 TRP 32 1HB TRP 32 -7.535 10.139 9.162 184 HD1 TRP 32 HD TRP 32 -7.188 13.865 9.825 185 HE1 TRP 32 1HE TRP 32 -8.572 14.482 11.905 186 HE3 TRP 32 3HE TRP 32 -9.700 9.456 10.473 187 HZ2 TRP 32 2HZ TRP 32 -10.478 13.264 13.597 188 HZ3 TRP 32 3HZ TRP 32 -11.282 9.265 12.347 189 HH2 TRP 32 HH TRP 32 -11.662 11.130 13.876 190 H CYS 33 H CYS 33 -5.066 9.420 8.401 191 HA CYS 33 HA CYS 33 -3.897 9.608 11.001 192 HB2 CYS 33 2HB CYS 33 -3.763 7.639 8.749 193 HB3 CYS 33 1HB CYS 33 -2.570 7.539 10.039 194 HG CYS 33 HG CYS 33 -5.624 7.148 10.487 195 HA PRO 34 HA PRO 34 -0.169 11.764 9.954 196 HB2 PRO 34 2HB PRO 34 1.316 11.158 12.129 197 HB3 PRO 34 1HB PRO 34 -0.046 12.281 12.190 198 HG2 PRO 34 2HG PRO 34 0.086 9.411 13.009 199 HG3 PRO 34 1HG PRO 34 -0.723 10.770 13.811 200 HD2 PRO 34 2HD PRO 34 -2.027 8.937 12.256 201 HD3 PRO 34 1HD PRO 34 -2.583 10.607 12.479 202 H ASP 35 H ASP 35 0.172 8.365 11.044 203 HA ASP 35 HA ASP 35 2.794 7.985 10.095 204 HB2 ASP 35 2HB ASP 35 2.066 5.499 9.976 205 HB3 ASP 35 1HB ASP 35 2.102 6.294 11.544 206 H CYS 36 H CYS 36 -0.288 7.935 8.458 207 HA CYS 36 HA CYS 36 0.634 6.643 6.086 208 HB2 CYS 36 2HB CYS 36 -1.755 8.459 6.479 209 HB3 CYS 36 1HB CYS 36 -1.478 7.395 5.103 210 HG CYS 36 HG CYS 36 -2.057 5.382 6.515 211 H VAL 37 H VAL 37 0.455 9.984 7.184 212 HA VAL 37 HA VAL 37 0.880 11.298 4.757 213 HB VAL 37 HB VAL 37 1.988 12.212 7.413 214 HG11 VAL 37 1HG1 VAL 37 2.770 13.523 5.555 215 HG12 VAL 37 2HG1 VAL 37 1.575 14.459 6.451 216 HG13 VAL 37 3HG1 VAL 37 1.131 13.689 4.929 217 HG21 VAL 37 3HG2 VAL 37 -0.226 13.470 7.549 218 HG22 VAL 37 1HG2 VAL 37 -0.266 11.742 7.895 219 HG23 VAL 37 2HG2 VAL 37 -0.815 12.342 6.330 220 H TYR 38 H TYR 38 3.179 9.725 6.931 221 HA TYR 38 HA TYR 38 5.548 10.765 5.803 222 HB2 TYR 38 2HB TYR 38 5.496 9.618 7.981 223 HB3 TYR 38 1HB TYR 38 5.120 8.100 7.173 224 HD1 TYR 38 1HD TYR 38 7.734 10.586 7.842 225 HD2 TYR 38 2HD TYR 38 6.835 6.871 5.968 226 HE1 TYR 38 1HE TYR 38 10.139 10.129 7.605 227 HE2 TYR 38 2HE TYR 38 9.238 6.406 5.728 228 HH TYR 38 HH TYR 38 11.583 7.940 7.394 229 H ALA 39 H ALA 39 3.930 7.627 5.228 230 HA ALA 39 HA ALA 39 5.637 6.704 3.223 231 HB1 ALA 39 1HB ALA 39 2.779 5.991 2.961 232 HB2 ALA 39 2HB ALA 39 3.551 5.621 4.504 233 HB3 ALA 39 3HB ALA 39 4.212 4.961 3.008 234 H ASN 40 H ASN 40 2.819 8.829 3.001 235 HA ASN 40 HA ASN 40 2.770 8.848 0.137 236 HB2 ASN 40 2HB ASN 40 1.220 10.038 2.311 237 HB3 ASN 40 1HB ASN 40 1.443 11.136 0.952 238 HD21 ASN 40 1HD2 ASN 40 0.384 10.771 -0.928 239 HD22 ASN 40 2HD2 ASN 40 -0.745 9.484 -1.163 240 H SER 41 H SER 41 4.286 10.755 2.648 241 HA SER 41 HA SER 41 4.983 12.998 1.113 242 HB2 SER 41 2HB SER 41 5.853 11.834 3.701 243 HB3 SER 41 1HB SER 41 6.968 12.963 2.932 244 HG SER 41 HG SER 41 5.585 14.140 4.217 245 H ILE 42 H ILE 42 6.725 9.970 1.770 246 HA ILE 42 HA ILE 42 9.097 10.650 0.408 247 HB ILE 42 HB ILE 42 7.973 7.865 0.742 248 HG12 ILE 42 2HG1 ILE 42 8.045 9.046 2.905 249 HG13 ILE 42 1HG1 ILE 42 9.239 7.758 2.837 250 HG21 ILE 42 1HG2 ILE 42 9.765 7.436 -0.551 251 HG22 ILE 42 2HG2 ILE 42 10.654 7.632 0.959 252 HG23 ILE 42 3HG2 ILE 42 10.538 8.976 -0.177 253 HD11 ILE 42 3HD1 ILE 42 10.182 9.702 3.893 254 HD12 ILE 42 1HD1 ILE 42 9.761 10.701 2.502 255 HD13 ILE 42 2HD1 ILE 42 10.974 9.431 2.341 256 H TRP 43 H TRP 43 6.154 8.978 -0.673 257 HA TRP 43 HA TRP 43 7.080 8.426 -3.293 258 HB2 TRP 43 2HB TRP 43 4.547 8.216 -1.829 259 HB3 TRP 43 1HB TRP 43 4.345 8.554 -3.545 260 HD1 TRP 43 HD TRP 43 3.378 6.136 -4.067 261 HE1 TRP 43 1HE TRP 43 4.479 3.818 -4.239 262 HE3 TRP 43 3HE TRP 43 7.867 7.187 -1.841 263 HZ2 TRP 43 2HZ TRP 43 6.919 2.595 -3.530 264 HZ3 TRP 43 3HZ TRP 43 9.525 5.384 -1.628 265 HH2 TRP 43 HH TRP 43 9.057 3.135 -2.457 266 H ASN 44 H ASN 44 5.459 11.211 -1.865 267 HA ASN 44 HA ASN 44 4.842 12.493 -4.339 268 HB2 ASN 44 2HB ASN 44 4.343 12.985 -1.589 269 HB3 ASN 44 1HB ASN 44 5.158 14.408 -2.224 270 HD21 ASN 44 1HD2 ASN 44 4.267 14.909 -4.582 271 HD22 ASN 44 2HD2 ASN 44 2.546 15.031 -4.650 272 H LYS 45 H LYS 45 7.678 12.372 -2.303 273 HA LYS 45 HA LYS 45 8.947 14.654 -3.521 274 HB2 LYS 45 2HB LYS 45 9.299 13.471 -1.135 275 HB3 LYS 45 1HB LYS 45 10.560 12.646 -2.041 276 HG2 LYS 45 2HG LYS 45 11.656 14.696 -2.544 277 HG3 LYS 45 1HG LYS 45 10.299 15.641 -1.929 278 HD2 LYS 45 2HD LYS 45 11.968 15.708 -0.251 279 HD3 LYS 45 1HD LYS 45 10.741 14.578 0.325 280 HE2 LYS 45 2HE LYS 45 12.137 12.809 0.221 281 HE3 LYS 45 1HE LYS 45 12.907 13.374 -1.260 282 HZ1 LYS 45 3HZ LYS 45 14.483 14.504 -0.122 283 HZ2 LYS 45 1HZ LYS 45 14.149 13.345 1.064 284 HZ3 LYS 45 2HZ LYS 45 13.465 14.888 1.173 285 H LEU 46 H LEU 46 8.946 11.169 -3.950 286 HA LEU 46 HA LEU 46 11.197 11.200 -5.744 287 HB2 LEU 46 2HB LEU 46 9.325 9.107 -4.736 288 HB3 LEU 46 1HB LEU 46 10.301 8.773 -6.154 289 HG LEU 46 HG LEU 46 11.439 9.610 -3.487 290 HD11 LEU 46 1HD1 LEU 46 10.707 7.533 -2.922 291 HD12 LEU 46 2HD1 LEU 46 12.221 7.085 -3.707 292 HD13 LEU 46 3HD1 LEU 46 10.700 6.958 -4.589 293 HD21 LEU 46 3HD2 LEU 46 13.508 8.562 -4.584 294 HD22 LEU 46 1HD2 LEU 46 13.008 10.164 -5.126 295 HD23 LEU 46 2HD2 LEU 46 12.629 8.744 -6.102 296 H ASN 47 H ASN 47 7.968 12.027 -6.118 297 HA ASN 47 HA ASN 47 6.571 12.313 -7.880 298 HB2 ASN 47 2HB ASN 47 8.508 13.750 -8.530 299 HB3 ASN 47 1HB ASN 47 9.139 12.402 -9.463 300 HD21 ASN 47 1HD2 ASN 47 8.994 14.087 -11.172 301 HD22 ASN 47 2HD2 ASN 47 7.504 14.234 -12.035 302 H VAL 48 H VAL 48 6.624 9.720 -7.198 303 HA VAL 48 HA VAL 48 6.660 8.305 -9.789 304 HB VAL 48 HB VAL 48 7.041 6.200 -8.454 305 HG11 VAL 48 1HG1 VAL 48 8.968 6.698 -9.523 306 HG12 VAL 48 2HG1 VAL 48 9.531 7.029 -7.885 307 HG13 VAL 48 3HG1 VAL 48 9.004 8.355 -8.922 308 HG21 VAL 48 3HG2 VAL 48 7.430 6.193 -6.224 309 HG22 VAL 48 1HG2 VAL 48 6.463 7.667 -6.278 310 HG23 VAL 48 2HG2 VAL 48 8.223 7.768 -6.246 311 H GLN 49 H GLN 49 4.472 9.789 -8.389 312 HA GLN 49 HA GLN 49 2.633 7.928 -7.293 313 HB2 GLN 49 2HB GLN 49 2.623 10.429 -6.945 314 HB3 GLN 49 1HB GLN 49 1.962 10.580 -8.565 315 HG2 GLN 49 2HG GLN 49 -0.013 10.532 -7.523 316 HG3 GLN 49 1HG GLN 49 0.245 8.788 -7.481 317 HE21 GLN 49 1HE2 GLN 49 0.931 11.734 -5.622 318 HE22 GLN 49 2HE2 GLN 49 0.748 10.998 -4.069 319 H ASP 50 H ASP 50 3.383 8.869 -10.569 320 HA ASP 50 HA ASP 50 0.937 7.799 -11.678 321 HB2 ASP 50 2HB ASP 50 3.495 8.654 -13.056 322 HB3 ASP 50 1HB ASP 50 1.989 8.242 -13.865 323 H LYS 51 H LYS 51 4.214 6.691 -11.098 324 HA LYS 51 HA LYS 51 3.993 4.342 -12.726 325 HB2 LYS 51 2HB LYS 51 5.967 4.925 -10.508 326 HB3 LYS 51 1HB LYS 51 6.127 3.693 -11.753 327 HG2 LYS 51 2HG LYS 51 5.916 5.771 -13.362 328 HG3 LYS 51 1HG LYS 51 6.491 6.638 -11.937 329 HD2 LYS 51 2HD LYS 51 8.175 4.478 -12.033 330 HD3 LYS 51 1HD LYS 51 7.910 4.824 -13.742 331 HE2 LYS 51 2HE LYS 51 8.627 7.110 -13.432 332 HE3 LYS 51 1HE LYS 51 8.762 6.867 -11.691 333 HZ1 LYS 51 3HZ LYS 51 10.365 4.940 -12.570 334 HZ2 LYS 51 1HZ LYS 51 10.907 6.508 -12.227 335 HZ3 LYS 51 2HZ LYS 51 10.567 6.059 -13.823 336 H VAL 52 H VAL 52 3.256 5.144 -9.401 337 HA VAL 52 HA VAL 52 2.592 2.323 -8.856 338 HB VAL 52 HB VAL 52 4.290 3.332 -7.344 339 HG11 VAL 52 1HG1 VAL 52 4.042 5.303 -6.323 340 HG12 VAL 52 2HG1 VAL 52 2.386 4.946 -5.835 341 HG13 VAL 52 3HG1 VAL 52 2.713 5.579 -7.448 342 HG21 VAL 52 3HG2 VAL 52 3.396 2.468 -5.330 343 HG22 VAL 52 1HG2 VAL 52 2.667 1.530 -6.631 344 HG23 VAL 52 2HG2 VAL 52 1.740 2.800 -5.835 345 H PHE 53 H PHE 53 0.638 1.989 -7.465 346 HA PHE 53 HA PHE 53 -1.376 4.076 -7.930 347 HB2 PHE 53 2HB PHE 53 -1.447 1.661 -9.136 348 HB3 PHE 53 1HB PHE 53 -2.293 1.269 -7.642 349 HD1 PHE 53 1HD PHE 53 -2.300 4.220 -9.945 350 HD2 PHE 53 2HD PHE 53 -4.559 1.210 -7.955 351 HE1 PHE 53 1HE PHE 53 -4.373 5.160 -10.880 352 HE2 PHE 53 2HE PHE 53 -6.633 2.146 -8.888 353 HZ PHE 53 HZ PHE 53 -6.542 4.122 -10.353 354 H VAL 54 H VAL 54 -1.794 4.999 -6.089 355 HA VAL 54 HA VAL 54 -1.838 3.407 -3.614 356 HB VAL 54 HB VAL 54 -1.667 6.414 -3.850 357 HG11 VAL 54 1HG1 VAL 54 -1.754 6.513 -1.622 358 HG12 VAL 54 2HG1 VAL 54 -0.640 5.160 -1.434 359 HG13 VAL 54 3HG1 VAL 54 -2.359 4.858 -1.683 360 HG21 VAL 54 3HG2 VAL 54 0.311 4.728 -4.629 361 HG22 VAL 54 1HG2 VAL 54 0.696 4.934 -2.921 362 HG23 VAL 54 2HG2 VAL 54 0.578 6.342 -3.975 363 H PHE 55 H PHE 55 -3.646 3.248 -2.409 364 HA PHE 55 HA PHE 55 -6.053 4.612 -3.409 365 HB2 PHE 55 2HB PHE 55 -5.646 1.926 -3.086 366 HB3 PHE 55 1HB PHE 55 -6.426 2.350 -1.566 367 HD1 PHE 55 2HD PHE 55 -6.823 2.114 -5.191 368 HD2 PHE 55 1HD PHE 55 -8.717 3.124 -1.514 369 HE1 PHE 55 2HE PHE 55 -9.014 2.060 -6.309 370 HE2 PHE 55 1HE PHE 55 -10.911 3.070 -2.626 371 HZ PHE 55 HZ PHE 55 -11.062 2.537 -5.027 372 H ASP 56 H ASP 56 -6.627 6.300 -2.221 373 HA ASP 56 HA ASP 56 -5.817 6.540 0.543 374 HB2 ASP 56 2HB ASP 56 -6.902 8.762 0.436 375 HB3 ASP 56 1HB ASP 56 -5.733 8.529 -0.860 376 H ILE 57 H ILE 57 -7.156 6.628 2.326 377 HA ILE 57 HA ILE 57 -9.866 5.550 1.912 378 HB ILE 57 HB ILE 57 -8.165 5.281 4.394 379 HG12 ILE 57 2HG1 ILE 57 -7.181 4.078 2.477 380 HG13 ILE 57 1HG1 ILE 57 -7.783 2.968 3.705 381 HG21 ILE 57 1HG2 ILE 57 -10.923 4.518 3.678 382 HG22 ILE 57 2HG2 ILE 57 -10.216 4.892 5.251 383 HG23 ILE 57 3HG2 ILE 57 -9.979 3.298 4.533 384 HD11 ILE 57 3HD1 ILE 57 -8.340 2.139 1.525 385 HD12 ILE 57 1HD1 ILE 57 -9.111 3.667 1.097 386 HD13 ILE 57 2HD1 ILE 57 -9.818 2.641 2.345 387 H GLY 58 H GLY 58 -10.583 7.766 1.599 388 HA2 GLY 58 2HA GLY 58 -10.899 9.192 4.171 389 HA3 GLY 58 1HA GLY 58 -10.661 10.034 2.647 390 H SER 59 H SER 59 -12.385 8.595 0.996 391 HA SER 59 HA SER 59 -14.964 9.507 2.023 392 HB2 SER 59 2HB SER 59 -13.958 10.139 -0.293 393 HB3 SER 59 1HB SER 59 -14.493 8.531 -0.786 394 HG SER 59 HG SER 59 -16.248 9.693 -1.187 395 H LEU 60 H LEU 60 -13.932 7.100 3.132 396 HA LEU 60 HA LEU 60 -15.832 5.113 2.056 397 HB2 LEU 60 2HB LEU 60 -13.167 4.654 3.399 398 HB3 LEU 60 1HB LEU 60 -14.310 3.383 3.010 399 HG LEU 60 HG LEU 60 -14.075 4.361 0.567 400 HD11 LEU 60 1HD1 LEU 60 -12.650 6.102 0.566 401 HD12 LEU 60 2HD1 LEU 60 -11.424 4.836 0.522 402 HD13 LEU 60 3HD1 LEU 60 -11.851 5.594 2.054 403 HD21 LEU 60 3HD2 LEU 60 -12.243 2.750 0.174 404 HD22 LEU 60 1HD2 LEU 60 -13.542 2.088 1.163 405 HD23 LEU 60 2HD2 LEU 60 -12.033 2.603 1.918 406 HA PRO 61 HA PRO 61 -17.782 6.073 6.044 407 HB2 PRO 61 2HB PRO 61 -19.514 3.865 5.051 408 HB3 PRO 61 1HB PRO 61 -19.969 5.447 5.691 409 HG2 PRO 61 2HG PRO 61 -20.099 4.942 3.081 410 HG3 PRO 61 1HG PRO 61 -19.563 6.523 3.677 411 HD2 PRO 61 2HD PRO 61 -17.959 4.276 2.543 412 HD3 PRO 61 1HD PRO 61 -17.725 6.027 2.377 413 H ARG 62 H ARG 62 -18.320 4.806 7.967 414 HA ARG 62 HA ARG 62 -16.355 3.130 8.857 415 HB2 ARG 62 2HB ARG 62 -18.097 2.272 10.531 416 HB3 ARG 62 1HB ARG 62 -17.768 3.997 10.507 417 HG2 ARG 62 2HG ARG 62 -19.889 4.462 10.087 418 HG3 ARG 62 1HG ARG 62 -19.923 3.363 8.707 419 HD2 ARG 62 2HD ARG 62 -19.917 1.698 10.942 420 HD3 ARG 62 1HD ARG 62 -20.996 3.024 11.377 421 HE ARG 62 HE ARG 62 -21.543 0.931 9.556 422 HH11 ARG 62 1HH1 ARG 62 -22.070 4.364 10.012 423 HH12 ARG 62 2HH1 ARG 62 -23.528 4.390 9.080 424 HH21 ARG 62 1HH2 ARG 62 -23.465 0.972 8.327 425 HH22 ARG 62 2HH2 ARG 62 -24.322 2.462 8.125 426 H ASN 63 H ASN 63 -19.259 2.201 7.084 427 HA ASN 63 HA ASN 63 -18.850 -0.615 7.421 428 HB2 ASN 63 2HB ASN 63 -21.078 0.438 6.975 429 HB3 ASN 63 1HB ASN 63 -20.536 0.787 5.336 430 HD21 ASN 63 1HD2 ASN 63 -20.431 -2.011 7.533 431 HD22 ASN 63 2HD2 ASN 63 -21.048 -3.144 6.385 432 H GLU 64 H GLU 64 -18.357 1.660 4.710 433 HA GLU 64 HA GLU 64 -17.290 -0.229 2.913 434 HB2 GLU 64 2HB GLU 64 -18.150 2.051 2.315 435 HB3 GLU 64 1HB GLU 64 -16.673 2.728 2.987 436 HG2 GLU 64 2HG GLU 64 -16.237 2.639 0.718 437 HG3 GLU 64 1HG GLU 64 -15.459 1.181 1.331 438 H GLN 65 H GLN 65 -15.780 1.777 5.392 439 HA GLN 65 HA GLN 65 -13.102 1.400 4.670 440 HB2 GLN 65 2HB GLN 65 -14.551 2.449 6.939 441 HB3 GLN 65 1HB GLN 65 -13.166 1.506 7.478 442 HG2 GLN 65 2HG GLN 65 -11.849 2.885 5.735 443 HG3 GLN 65 1HG GLN 65 -13.229 3.978 5.803 444 HE21 GLN 65 1HE2 GLN 65 -13.326 5.424 7.397 445 HE22 GLN 65 2HE2 GLN 65 -12.266 5.474 8.760 446 H GLU 66 H GLU 66 -15.149 -0.474 6.899 447 HA GLU 66 HA GLU 66 -13.129 -2.369 7.537 448 HB2 GLU 66 2HB GLU 66 -16.122 -2.731 7.724 449 HB3 GLU 66 1HB GLU 66 -14.894 -3.652 8.582 450 HG2 GLU 66 2HG GLU 66 -14.762 -0.757 9.023 451 HG3 GLU 66 1HG GLU 66 -16.244 -1.524 9.593 452 H LYS 67 H LYS 67 -15.470 -2.113 4.950 453 HA LYS 67 HA LYS 67 -15.602 -4.749 4.090 454 HB2 LYS 67 2HB LYS 67 -15.739 -2.157 2.556 455 HB3 LYS 67 1HB LYS 67 -15.975 -3.717 1.782 456 HG2 LYS 67 2HG LYS 67 -17.614 -3.445 4.152 457 HG3 LYS 67 1HG LYS 67 -17.908 -2.148 2.993 458 HD2 LYS 67 2HD LYS 67 -19.409 -3.870 2.412 459 HD3 LYS 67 1HD LYS 67 -18.103 -3.960 1.228 460 HE2 LYS 67 2HE LYS 67 -17.231 -5.612 3.254 461 HE3 LYS 67 1HE LYS 67 -18.968 -5.907 3.220 462 HZ1 LYS 67 3HZ LYS 67 -17.630 -7.368 1.738 463 HZ2 LYS 67 1HZ LYS 67 -17.243 -6.007 0.809 464 HZ3 LYS 67 2HZ LYS 67 -18.853 -6.510 0.942 465 H TRP 68 H TRP 68 -13.315 -2.225 2.978 466 HA TRP 68 HA TRP 68 -11.807 -4.108 1.438 467 HB2 TRP 68 2HB TRP 68 -10.261 -2.299 1.004 468 HB3 TRP 68 1HB TRP 68 -11.907 -1.703 0.848 469 HD1 TRP 68 HD TRP 68 -12.550 0.360 2.281 470 HE1 TRP 68 1HE TRP 68 -11.331 1.792 4.037 471 HE3 TRP 68 3HE TRP 68 -8.420 -2.568 3.004 472 HZ2 TRP 68 2HZ TRP 68 -8.943 1.696 5.534 473 HZ3 TRP 68 3HZ TRP 68 -6.718 -1.825 4.616 474 HH2 TRP 68 HH TRP 68 -6.975 0.263 5.852 475 H ARG 69 H ARG 69 -11.610 -2.823 4.687 476 HA ARG 69 HA ARG 69 -8.995 -3.518 5.343 477 HB2 ARG 69 2HB ARG 69 -11.296 -2.594 6.718 478 HB3 ARG 69 1HB ARG 69 -10.705 -3.998 7.596 479 HG2 ARG 69 2HG ARG 69 -8.390 -2.676 7.198 480 HG3 ARG 69 1HG ARG 69 -9.523 -1.324 7.270 481 HD2 ARG 69 2HD ARG 69 -10.235 -1.891 9.435 482 HD3 ARG 69 1HD ARG 69 -9.536 -3.506 9.334 483 HE ARG 69 HE ARG 69 -7.520 -2.643 9.985 484 HH11 ARG 69 1HH1 ARG 69 -9.613 0.002 9.035 485 HH12 ARG 69 2HH1 ARG 69 -8.537 1.226 9.617 486 HH21 ARG 69 1HH2 ARG 69 -6.107 -1.027 10.748 487 HH22 ARG 69 2HH2 ARG 69 -6.543 0.642 10.591 488 H ILE 70 H ILE 70 -11.978 -5.455 5.714 489 HA ILE 70 HA ILE 70 -10.557 -7.756 6.658 490 HB ILE 70 HB ILE 70 -13.363 -7.663 5.537 491 HG12 ILE 70 2HG1 ILE 70 -13.074 -6.065 7.400 492 HG13 ILE 70 1HG1 ILE 70 -14.114 -7.410 7.854 493 HG21 ILE 70 1HG2 ILE 70 -11.843 -9.849 6.133 494 HG22 ILE 70 2HG2 ILE 70 -13.605 -9.806 6.159 495 HG23 ILE 70 3HG2 ILE 70 -12.696 -9.576 7.652 496 HD11 ILE 70 3HD1 ILE 70 -11.392 -8.019 8.506 497 HD12 ILE 70 1HD1 ILE 70 -12.799 -7.902 9.562 498 HD13 ILE 70 2HD1 ILE 70 -11.851 -6.462 9.193 499 H ALA 71 H ALA 71 -11.836 -6.723 3.522 500 HA ALA 71 HA ALA 71 -11.467 -9.106 2.106 501 HB1 ALA 71 1HB ALA 71 -11.723 -6.247 1.366 502 HB2 ALA 71 2HB ALA 71 -12.658 -7.646 0.838 503 HB3 ALA 71 3HB ALA 71 -11.064 -7.342 0.151 504 H PHE 72 H PHE 72 -9.252 -6.326 2.457 505 HA PHE 72 HA PHE 72 -7.139 -7.455 0.969 506 HB2 PHE 72 2HB PHE 72 -7.539 -5.099 2.639 507 HB3 PHE 72 1HB PHE 72 -5.915 -5.759 2.789 508 HD1 PHE 72 1HD PHE 72 -8.407 -4.923 0.135 509 HD2 PHE 72 2HD PHE 72 -4.315 -5.034 1.309 510 HE1 PHE 72 1HE PHE 72 -7.772 -3.851 -1.987 511 HE2 PHE 72 2HE PHE 72 -3.675 -3.960 -0.810 512 HZ PHE 72 HZ PHE 72 -5.404 -3.368 -2.461 513 H GLN 73 H GLN 73 -8.043 -7.737 4.361 514 HA GLN 73 HA GLN 73 -5.662 -8.831 5.358 515 HB2 GLN 73 2HB GLN 73 -7.849 -8.083 6.584 516 HB3 GLN 73 1HB GLN 73 -8.335 -9.757 6.351 517 HG2 GLN 73 2HG GLN 73 -5.644 -9.428 7.456 518 HG3 GLN 73 1HG GLN 73 -6.938 -8.809 8.481 519 HE21 GLN 73 1HE2 GLN 73 -8.540 -10.252 9.229 520 HE22 GLN 73 2HE2 GLN 73 -8.261 -11.957 9.272 521 H LYS 74 H LYS 74 -8.304 -10.276 3.554 522 HA LYS 74 HA LYS 74 -7.434 -12.984 3.973 523 HB2 LYS 74 2HB LYS 74 -9.774 -11.777 3.135 524 HB3 LYS 74 1HB LYS 74 -9.153 -12.500 1.661 525 HG2 LYS 74 2HG LYS 74 -10.281 -14.302 2.380 526 HG3 LYS 74 1HG LYS 74 -8.840 -14.566 3.365 527 HD2 LYS 74 2HD LYS 74 -9.856 -13.714 5.291 528 HD3 LYS 74 1HD LYS 74 -11.120 -12.894 4.371 529 HE2 LYS 74 2HE LYS 74 -12.401 -14.752 4.215 530 HE3 LYS 74 1HE LYS 74 -11.011 -15.826 4.070 531 HZ1 LYS 74 3HZ LYS 74 -10.670 -15.252 6.549 532 HZ2 LYS 74 1HZ LYS 74 -11.866 -16.371 6.125 533 HZ3 LYS 74 2HZ LYS 74 -12.293 -14.779 6.507 534 H VAL 75 H VAL 75 -6.871 -10.467 1.611 535 HA VAL 75 HA VAL 75 -5.738 -12.215 -0.367 536 HB VAL 75 HB VAL 75 -5.456 -9.211 -0.214 537 HG11 VAL 75 1HG1 VAL 75 -4.669 -9.259 -2.348 538 HG12 VAL 75 2HG1 VAL 75 -5.579 -10.708 -2.773 539 HG13 VAL 75 3HG1 VAL 75 -4.100 -10.843 -1.822 540 HG21 VAL 75 3HG2 VAL 75 -7.705 -9.221 -0.374 541 HG22 VAL 75 1HG2 VAL 75 -7.767 -10.897 -0.921 542 HG23 VAL 75 2HG2 VAL 75 -7.387 -9.609 -2.064 543 H VAL 76 H VAL 76 -4.461 -9.918 2.036 544 HA VAL 76 HA VAL 76 -1.850 -11.218 1.708 545 HB VAL 76 HB VAL 76 -0.726 -9.070 2.185 546 HG11 VAL 76 1HG1 VAL 76 -1.654 -9.996 -0.191 547 HG12 VAL 76 2HG1 VAL 76 -0.583 -8.607 -0.007 548 HG13 VAL 76 3HG1 VAL 76 -2.319 -8.363 -0.177 549 HG21 VAL 76 3HG2 VAL 76 -3.520 -7.955 1.976 550 HG22 VAL 76 1HG2 VAL 76 -2.058 -6.974 1.863 551 HG23 VAL 76 2HG2 VAL 76 -2.418 -7.851 3.349 552 H GLY 77 H GLY 77 -3.939 -9.377 3.923 553 HA2 GLY 77 2HA GLY 77 -4.288 -10.211 6.169 554 HA3 GLY 77 1HA GLY 77 -2.632 -10.793 6.157 555 H SER 78 H SER 78 -3.975 -7.612 5.273 556 HA SER 78 HA SER 78 -2.087 -6.383 7.141 557 HB2 SER 78 2HB SER 78 -2.875 -4.270 5.760 558 HB3 SER 78 1HB SER 78 -1.675 -5.381 5.093 559 HG SER 78 HG SER 78 -4.283 -4.903 4.307 560 H ARG 79 H ARG 79 -3.358 -6.746 9.012 561 HA ARG 79 HA ARG 79 -6.011 -5.575 9.154 562 HB2 ARG 79 2HB ARG 79 -4.941 -7.727 10.388 563 HB3 ARG 79 1HB ARG 79 -4.661 -6.513 11.627 564 HG2 ARG 79 2HG ARG 79 -7.236 -5.997 11.062 565 HG3 ARG 79 1HG ARG 79 -7.181 -7.720 10.681 566 HD2 ARG 79 2HD ARG 79 -5.847 -6.993 13.189 567 HD3 ARG 79 1HD ARG 79 -7.577 -6.660 13.169 568 HE ARG 79 HE ARG 79 -6.894 -9.294 12.234 569 HH11 ARG 79 1HH1 ARG 79 -7.591 -7.358 15.071 570 HH12 ARG 79 2HH1 ARG 79 -8.113 -8.710 16.016 571 HH21 ARG 79 1HH2 ARG 79 -7.578 -11.074 13.494 572 HH22 ARG 79 2HH2 ARG 79 -8.105 -10.816 15.124 573 H ASN 80 H ASN 80 -3.505 -3.920 8.752 574 HA ASN 80 HA ASN 80 -4.231 -1.779 10.511 575 HB2 ASN 80 2HB ASN 80 -2.766 -3.132 11.999 576 HB3 ASN 80 1HB ASN 80 -1.462 -2.963 10.828 577 HD21 ASN 80 1HD2 ASN 80 -3.792 -0.884 12.541 578 HD22 ASN 80 2HD2 ASN 80 -2.645 0.344 12.946 579 H LEU 81 H LEU 81 -3.252 0.234 9.924 580 HA LEU 81 HA LEU 81 -1.779 0.171 7.371 581 HB2 LEU 81 2HB LEU 81 -2.987 2.492 7.065 582 HB3 LEU 81 1HB LEU 81 -3.761 0.994 6.589 583 HG LEU 81 HG LEU 81 -4.862 1.049 8.922 584 HD11 LEU 81 1HD1 LEU 81 -4.692 3.981 8.856 585 HD12 LEU 81 2HD1 LEU 81 -3.218 3.157 9.360 586 HD13 LEU 81 3HD1 LEU 81 -4.726 2.871 10.226 587 HD21 LEU 81 3HD2 LEU 81 -5.864 3.311 7.294 588 HD22 LEU 81 1HD2 LEU 81 -6.722 1.920 7.957 589 HD23 LEU 81 2HD2 LEU 81 -5.737 1.740 6.505 590 HA PRO 82 HA PRO 82 -1.305 2.245 6.011 591 HB2 PRO 82 2HB PRO 82 1.542 2.748 5.612 592 HB3 PRO 82 1HB PRO 82 0.157 3.730 5.130 593 HG2 PRO 82 2HG PRO 82 1.875 4.489 7.078 594 HG3 PRO 82 1HG PRO 82 0.159 4.929 7.091 595 HD2 PRO 82 2HD PRO 82 1.570 2.765 8.610 596 HD3 PRO 82 1HD PRO 82 0.310 3.891 9.160 597 H THR 83 H THR 83 -0.736 0.803 4.319 598 HA THR 83 HA THR 83 1.224 -1.281 4.899 599 HB THR 83 HB THR 83 -0.661 -2.344 5.832 600 HG1 THR 83 1HG THR 83 -0.731 -3.231 3.143 601 HG21 THR 83 3HG2 THR 83 -2.629 -2.444 3.829 602 HG22 THR 83 1HG2 THR 83 -2.182 -0.751 4.031 603 HG23 THR 83 2HG2 THR 83 -2.723 -1.690 5.422 604 H ILE 84 H ILE 84 2.317 -1.895 3.121 605 HA ILE 84 HA ILE 84 1.272 -1.016 0.506 606 HB ILE 84 HB ILE 84 4.162 -1.561 1.170 607 HG12 ILE 84 2HG1 ILE 84 2.904 1.173 0.930 608 HG13 ILE 84 1HG1 ILE 84 3.111 0.365 2.480 609 HG21 ILE 84 1HG2 ILE 84 2.682 -0.716 -1.233 610 HG22 ILE 84 2HG2 ILE 84 4.192 -1.613 -1.081 611 HG23 ILE 84 3HG2 ILE 84 4.189 0.142 -0.912 612 HD11 ILE 84 3HD1 ILE 84 5.116 1.298 2.573 613 HD12 ILE 84 1HD1 ILE 84 5.020 1.827 0.893 614 HD13 ILE 84 2HD1 ILE 84 5.605 0.207 1.276 615 H VAL 85 H VAL 85 0.696 -2.556 -0.878 616 HA VAL 85 HA VAL 85 1.791 -5.267 -0.517 617 HB VAL 85 HB VAL 85 -0.269 -6.003 -1.817 618 HG11 VAL 85 1HG1 VAL 85 -0.355 -6.618 0.388 619 HG12 VAL 85 2HG1 VAL 85 -1.759 -5.553 0.300 620 HG13 VAL 85 3HG1 VAL 85 -0.241 -4.958 0.973 621 HG21 VAL 85 3HG2 VAL 85 -0.824 -3.707 -2.640 622 HG22 VAL 85 1HG2 VAL 85 -1.326 -3.300 -0.998 623 HG23 VAL 85 2HG2 VAL 85 -2.174 -4.561 -1.894 624 H VAL 86 H VAL 86 3.125 -5.973 -2.035 625 HA VAL 86 HA VAL 86 2.935 -4.826 -4.750 626 HB VAL 86 HB VAL 86 5.457 -5.869 -3.455 627 HG11 VAL 86 1HG1 VAL 86 5.994 -5.957 -5.651 628 HG12 VAL 86 2HG1 VAL 86 6.286 -4.234 -5.412 629 HG13 VAL 86 3HG1 VAL 86 4.764 -4.779 -6.115 630 HG21 VAL 86 3HG2 VAL 86 5.917 -3.234 -3.668 631 HG22 VAL 86 1HG2 VAL 86 5.282 -3.992 -2.209 632 HG23 VAL 86 2HG2 VAL 86 4.183 -3.206 -3.342 633 H ASN 87 H ASN 87 2.388 -6.252 -6.261 634 HA ASN 87 HA ASN 87 2.099 -8.184 -7.421 635 HB2 ASN 87 2HB ASN 87 4.675 -8.294 -6.799 636 HB3 ASN 87 1HB ASN 87 4.146 -9.639 -5.796 637 HD21 ASN 87 1HD2 ASN 87 2.784 -11.288 -6.934 638 HD22 ASN 87 2HD2 ASN 87 3.228 -11.696 -8.553 639 H GLY 88 H GLY 88 0.374 -7.711 -5.321 640 HA2 GLY 88 2HA GLY 88 -1.225 -8.743 -4.039 641 HA3 GLY 88 1HA GLY 88 -0.845 -10.194 -4.946 642 H LYS 89 H LYS 89 1.018 -8.275 -2.609 643 HA LYS 89 HA LYS 89 0.813 -10.097 -0.485 644 HB2 LYS 89 2HB LYS 89 3.206 -10.918 -0.542 645 HB3 LYS 89 1HB LYS 89 2.122 -11.645 -1.720 646 HG2 LYS 89 2HG LYS 89 3.022 -10.234 -3.467 647 HG3 LYS 89 1HG LYS 89 4.053 -9.407 -2.299 648 HD2 LYS 89 2HD LYS 89 5.616 -10.906 -2.850 649 HD3 LYS 89 1HD LYS 89 4.673 -12.061 -1.907 650 HE2 LYS 89 2HE LYS 89 3.596 -12.903 -3.828 651 HE3 LYS 89 1HE LYS 89 4.130 -11.545 -4.818 652 HZ1 LYS 89 3HZ LYS 89 5.572 -13.953 -4.032 653 HZ2 LYS 89 1HZ LYS 89 6.476 -12.523 -4.085 654 HZ3 LYS 89 2HZ LYS 89 5.658 -13.059 -5.465 655 H PHE 90 H PHE 90 1.477 -9.149 1.345 656 HA PHE 90 HA PHE 90 2.232 -6.437 1.364 657 HB2 PHE 90 2HB PHE 90 0.982 -7.524 3.198 658 HB3 PHE 90 1HB PHE 90 2.414 -8.459 3.613 659 HD1 PHE 90 1HD PHE 90 0.966 -5.069 3.529 660 HD2 PHE 90 2HD PHE 90 4.156 -7.519 4.915 661 HE1 PHE 90 1HE PHE 90 1.695 -3.264 5.031 662 HE2 PHE 90 2HE PHE 90 4.891 -5.719 6.421 663 HZ PHE 90 HZ PHE 90 3.657 -3.587 6.480 664 H TRP 91 H TRP 91 4.112 -5.884 0.437 665 HA TRP 91 HA TRP 91 6.557 -7.232 1.372 666 HB2 TRP 91 2HB TRP 91 5.696 -6.266 -1.273 667 HB3 TRP 91 1HB TRP 91 7.353 -5.858 -0.847 668 HD1 TRP 91 HD TRP 91 5.655 -9.185 0.122 669 HE1 TRP 91 1HE TRP 91 6.940 -11.106 -1.011 670 HE3 TRP 91 3HE TRP 91 8.891 -6.435 -2.733 671 HZ2 TRP 91 2HZ TRP 91 9.041 -11.416 -2.869 672 HZ3 TRP 91 3HZ TRP 91 10.504 -7.624 -4.160 673 HH2 TRP 91 HH TRP 91 10.577 -10.063 -4.226 674 H GLY 92 H GLY 92 4.917 -4.154 1.086 675 HA2 GLY 92 2HA GLY 92 7.322 -2.825 2.173 676 HA3 GLY 92 1HA GLY 92 6.085 -2.004 1.242 677 H THR 93 H THR 93 7.229 -1.653 4.032 678 HA THR 93 HA THR 93 4.644 -1.617 5.447 679 HB THR 93 HB THR 93 7.203 -1.717 6.981 680 HG1 THR 93 1HG THR 93 6.062 -3.887 5.591 681 HG21 THR 93 3HG2 THR 93 5.069 -3.451 7.843 682 HG22 THR 93 1HG2 THR 93 4.535 -1.777 7.688 683 HG23 THR 93 2HG2 THR 93 5.915 -2.172 8.713 684 H GLU 94 H GLU 94 4.311 0.130 6.931 685 HA GLU 94 HA GLU 94 5.044 2.649 5.986 686 HB2 GLU 94 2HB GLU 94 4.269 3.457 8.282 687 HB3 GLU 94 1HB GLU 94 3.106 2.571 7.311 688 HG2 GLU 94 2HG GLU 94 2.921 0.936 8.821 689 HG3 GLU 94 1HG GLU 94 4.661 0.862 9.095 690 H SER 95 H SER 95 6.525 0.622 8.459 691 HA SER 95 HA SER 95 8.455 2.662 9.177 692 HB2 SER 95 2HB SER 95 8.056 -0.191 10.091 693 HB3 SER 95 1HB SER 95 9.393 0.818 10.641 694 HG SER 95 HG SER 95 8.037 1.555 12.053 695 H GLN 96 H GLN 96 8.273 -0.119 7.063 696 HA GLN 96 HA GLN 96 10.972 -0.731 6.779 697 HB2 GLN 96 2HB GLN 96 9.009 -1.983 5.800 698 HB3 GLN 96 1HB GLN 96 8.958 -0.767 4.532 699 HG2 GLN 96 2HG GLN 96 10.559 -1.790 3.400 700 HG3 GLN 96 1HG GLN 96 11.625 -1.788 4.804 701 HE21 GLN 96 1HE2 GLN 96 8.733 -3.477 3.609 702 HE22 GLN 96 2HE2 GLN 96 9.239 -5.050 4.114 703 H LEU 97 H LEU 97 9.064 1.832 5.286 704 HA LEU 97 HA LEU 97 11.064 2.668 3.443 705 HB2 LEU 97 2HB LEU 97 8.917 4.453 4.561 706 HB3 LEU 97 1HB LEU 97 9.683 4.531 2.987 707 HG LEU 97 HG LEU 97 7.782 2.363 3.890 708 HD11 LEU 97 1HD1 LEU 97 6.404 4.185 3.590 709 HD12 LEU 97 2HD1 LEU 97 6.416 3.470 1.977 710 HD13 LEU 97 3HD1 LEU 97 7.417 4.880 2.325 711 HD21 LEU 97 3HD2 LEU 97 8.961 1.249 2.298 712 HD22 LEU 97 1HD2 LEU 97 9.481 2.725 1.487 713 HD23 LEU 97 2HD2 LEU 97 7.846 2.113 1.241 714 H HIS 98 H HIS 98 10.280 3.598 6.768 715 HA HIS 98 HA HIS 98 12.020 5.839 6.879 716 HB2 HIS 98 2HB HIS 98 10.164 5.480 8.478 717 HB3 HIS 98 1HB HIS 98 11.026 4.104 9.153 718 HD1 HIS 98 1HD HIS 98 10.634 5.744 11.353 719 HD2 HIS 98 2HD HIS 98 13.544 6.864 8.604 720 HE1 HIS 98 1HE HIS 98 12.121 7.365 12.570 721 HE2 HIS 98 2HE HIS 98 13.855 8.056 10.878 722 H ARG 99 H ARG 99 12.416 2.510 8.156 723 HA ARG 99 HA ARG 99 15.043 2.844 9.039 724 HB2 ARG 99 2HB ARG 99 15.162 0.410 9.094 725 HB3 ARG 99 1HB ARG 99 13.652 0.989 9.769 726 HG2 ARG 99 2HG ARG 99 12.855 0.563 7.255 727 HG3 ARG 99 1HG ARG 99 14.163 -0.618 7.342 728 HD2 ARG 99 2HD ARG 99 12.989 -1.182 9.655 729 HD3 ARG 99 1HD ARG 99 11.587 -0.512 8.822 730 HE ARG 99 HE ARG 99 12.632 -2.302 7.049 731 HH11 ARG 99 1HH1 ARG 99 11.523 -2.500 10.367 732 HH12 ARG 99 2HH1 ARG 99 11.046 -4.159 10.236 733 HH21 ARG 99 1HH2 ARG 99 11.993 -4.485 6.883 734 HH22 ARG 99 2HH2 ARG 99 11.315 -5.285 8.261 735 H PHE 100 H PHE 100 13.802 2.174 5.832 736 HA PHE 100 HA PHE 100 16.355 1.367 4.764 737 HB2 PHE 100 2HB PHE 100 13.616 1.788 3.669 738 HB3 PHE 100 1HB PHE 100 14.965 1.901 2.543 739 HD1 PHE 100 2HD PHE 100 14.006 -0.357 5.373 740 HD2 PHE 100 1HD PHE 100 15.332 -0.007 1.342 741 HE1 PHE 100 2HE PHE 100 14.051 -2.811 5.176 742 HE2 PHE 100 1HE PHE 100 15.377 -2.458 1.141 743 HZ PHE 100 HZ PHE 100 14.738 -3.863 3.060 744 H GLU 101 H GLU 101 14.336 4.307 4.592 745 HA GLU 101 HA GLU 101 16.046 5.775 2.900 746 HB2 GLU 101 2HB GLU 101 13.583 6.234 3.849 747 HB3 GLU 101 1HB GLU 101 14.493 7.243 4.964 748 HG2 GLU 101 2HG GLU 101 14.777 7.447 1.983 749 HG3 GLU 101 1HG GLU 101 13.597 8.372 2.905 750 H ALA 102 H ALA 102 15.836 5.572 6.417 751 HA ALA 102 HA ALA 102 17.653 7.518 7.159 752 HB1 ALA 102 1HB ALA 102 18.109 5.751 9.095 753 HB2 ALA 102 2HB ALA 102 16.669 5.011 8.394 754 HB3 ALA 102 3HB ALA 102 16.608 6.671 8.988 755 H LYS 103 H LYS 103 18.311 4.105 6.363 756 HA LYS 103 HA LYS 103 21.137 4.390 6.729 757 HB2 LYS 103 2HB LYS 103 21.228 2.103 5.780 758 HB3 LYS 103 1HB LYS 103 20.138 2.247 7.141 759 HG2 LYS 103 2HG LYS 103 18.232 2.220 5.681 760 HG3 LYS 103 1HG LYS 103 19.276 2.256 4.259 761 HD2 LYS 103 2HD LYS 103 18.467 -0.002 4.665 762 HD3 LYS 103 1HD LYS 103 20.212 0.081 4.902 763 HE2 LYS 103 2HE LYS 103 20.021 -0.052 7.230 764 HE3 LYS 103 1HE LYS 103 18.313 0.388 7.205 765 HZ1 LYS 103 3HZ LYS 103 17.722 -1.723 6.403 766 HZ2 LYS 103 1HZ LYS 103 18.846 -2.023 7.631 767 HZ3 LYS 103 2HZ LYS 103 19.316 -2.130 6.009 768 H GLY 104 H GLY 104 18.908 4.493 4.020 769 HA2 GLY 104 2HA GLY 104 19.452 5.867 2.113 770 HA3 GLY 104 1HA GLY 104 21.133 5.404 2.315 771 H THR 105 H THR 105 18.431 3.142 2.454 772 HA THR 105 HA THR 105 19.408 1.954 -0.064 773 HB THR 105 HB THR 105 18.661 -0.220 0.792 774 HG1 THR 105 1HG THR 105 17.610 -0.420 2.622 775 HG21 THR 105 3HG2 THR 105 20.253 -0.540 2.617 776 HG22 THR 105 1HG2 THR 105 20.446 1.208 2.747 777 HG23 THR 105 2HG2 THR 105 20.955 0.370 1.280 778 H LEU 106 H LEU 106 17.202 3.989 0.508 779 HA LEU 106 HA LEU 106 14.775 2.592 -0.196 780 HB2 LEU 106 2HB LEU 106 15.175 4.860 1.154 781 HB3 LEU 106 1HB LEU 106 14.989 5.548 -0.449 782 HG LEU 106 HG LEU 106 12.861 3.711 -0.092 783 HD11 LEU 106 1HD1 LEU 106 13.653 4.357 2.399 784 HD12 LEU 106 2HD1 LEU 106 11.981 4.021 1.954 785 HD13 LEU 106 3HD1 LEU 106 12.546 5.688 2.065 786 HD21 LEU 106 3HD2 LEU 106 11.621 5.443 -0.851 787 HD22 LEU 106 1HD2 LEU 106 13.209 6.101 -1.242 788 HD23 LEU 106 2HD2 LEU 106 12.382 6.610 0.231 789 H GLU 107 H GLU 107 16.991 4.874 -1.799 790 HA GLU 107 HA GLU 107 15.666 5.017 -4.260 791 HB2 GLU 107 2HB GLU 107 18.361 5.663 -3.255 792 HB3 GLU 107 1HB GLU 107 18.275 5.331 -4.981 793 HG2 GLU 107 2HG GLU 107 16.185 7.125 -3.991 794 HG3 GLU 107 1HG GLU 107 17.825 7.747 -3.823 795 H GLU 108 H GLU 108 18.248 2.816 -3.180 796 HA GLU 108 HA GLU 108 18.533 1.442 -5.624 797 HB2 GLU 108 2HB GLU 108 19.935 1.420 -3.345 798 HB3 GLU 108 1HB GLU 108 18.991 -0.041 -3.089 799 HG2 GLU 108 2HG GLU 108 19.838 -0.426 -5.628 800 HG3 GLU 108 1HG GLU 108 21.187 0.491 -4.961 801 H GLU 109 H GLU 109 16.486 0.851 -2.795 802 HA GLU 109 HA GLU 109 15.433 -1.628 -3.597 803 HB2 GLU 109 2HB GLU 109 15.240 -0.610 -1.311 804 HB3 GLU 109 1HB GLU 109 14.025 0.485 -1.954 805 HG2 GLU 109 2HG GLU 109 13.052 -1.421 -0.758 806 HG3 GLU 109 1HG GLU 109 12.556 -1.360 -2.448 807 H LEU 110 H LEU 110 14.342 1.696 -4.219 808 HA LEU 110 HA LEU 110 11.922 1.077 -5.489 809 HB2 LEU 110 2HB LEU 110 13.688 3.417 -5.301 810 HB3 LEU 110 1HB LEU 110 12.723 3.360 -6.765 811 HG LEU 110 HG LEU 110 11.021 2.761 -4.550 812 HD11 LEU 110 1HD1 LEU 110 11.192 5.009 -3.429 813 HD12 LEU 110 2HD1 LEU 110 12.772 5.180 -4.194 814 HD13 LEU 110 3HD1 LEU 110 12.481 3.866 -3.055 815 HD21 LEU 110 3HD2 LEU 110 9.631 4.205 -5.598 816 HD22 LEU 110 1HD2 LEU 110 10.775 3.977 -6.921 817 HD23 LEU 110 2HD2 LEU 110 10.898 5.398 -5.883 818 H THR 111 H THR 111 15.213 1.272 -6.777 819 HA THR 111 HA THR 111 14.369 0.887 -9.500 820 HB THR 111 HB THR 111 17.167 0.369 -8.539 821 HG1 THR 111 1HG THR 111 16.025 2.934 -8.953 822 HG21 THR 111 3HG2 THR 111 17.087 2.050 -10.790 823 HG22 THR 111 1HG2 THR 111 15.940 0.743 -11.081 824 HG23 THR 111 2HG2 THR 111 17.619 0.373 -10.696 825 H LYS 112 H LYS 112 15.507 -1.147 -6.861 826 HA LYS 112 HA LYS 112 15.971 -3.495 -8.363 827 HB2 LYS 112 2HB LYS 112 16.502 -2.799 -5.832 828 HB3 LYS 112 1HB LYS 112 15.043 -3.739 -5.549 829 HG2 LYS 112 2HG LYS 112 16.204 -5.553 -6.970 830 HG3 LYS 112 1HG LYS 112 17.675 -4.628 -6.656 831 HD2 LYS 112 2HD LYS 112 16.620 -4.770 -4.163 832 HD3 LYS 112 1HD LYS 112 16.066 -6.301 -4.844 833 HE2 LYS 112 2HE LYS 112 18.887 -5.616 -5.362 834 HE3 LYS 112 1HE LYS 112 18.480 -5.939 -3.677 835 HZ1 LYS 112 3HZ LYS 112 19.142 -7.844 -5.379 836 HZ2 LYS 112 1HZ LYS 112 17.472 -7.829 -5.659 837 HZ3 LYS 112 2HZ LYS 112 18.069 -8.108 -4.100 838 H ILE 113 H ILE 113 13.105 -2.363 -6.567 839 HA ILE 113 HA ILE 113 11.514 -4.645 -6.975 840 HB ILE 113 HB ILE 113 9.561 -3.188 -6.533 841 HG12 ILE 113 2HG1 ILE 113 11.622 -0.972 -6.468 842 HG13 ILE 113 1HG1 ILE 113 10.340 -1.154 -7.661 843 HG21 ILE 113 1HG2 ILE 113 9.963 -3.197 -4.317 844 HG22 ILE 113 2HG2 ILE 113 11.475 -2.302 -4.475 845 HG23 ILE 113 3HG2 ILE 113 11.439 -4.033 -4.800 846 HD11 ILE 113 3HD1 ILE 113 10.105 -0.433 -4.764 847 HD12 ILE 113 1HD1 ILE 113 8.723 -0.978 -5.713 848 HD13 ILE 113 2HD1 ILE 113 9.589 0.486 -6.178 849 H GLY 114 H GLY 114 12.328 -2.041 -9.123 850 HA2 GLY 114 2HA GLY 114 12.065 -2.397 -11.496 851 HA3 GLY 114 1HA GLY 114 10.563 -3.241 -11.155 852 H LEU 115 H LEU 115 11.237 -0.293 -9.444 853 HA LEU 115 HA LEU 115 8.990 0.977 -10.800 854 HB2 LEU 115 2HB LEU 115 9.538 0.870 -8.210 855 HB3 LEU 115 1HB LEU 115 10.488 2.294 -8.584 856 HG LEU 115 HG LEU 115 7.691 2.283 -9.563 857 HD11 LEU 115 1HD1 LEU 115 8.394 2.578 -6.646 858 HD12 LEU 115 2HD1 LEU 115 7.375 1.331 -7.366 859 HD13 LEU 115 3HD1 LEU 115 6.844 3.012 -7.370 860 HD21 LEU 115 3HD2 LEU 115 7.937 4.528 -9.525 861 HD22 LEU 115 1HD2 LEU 115 9.651 4.117 -9.554 862 HD23 LEU 115 2HD2 LEU 115 8.866 4.513 -8.025 863 H LEU 116 H LEU 116 12.411 1.616 -10.094 864 HA LEU 116 HA LEU 116 12.376 3.889 -11.945 865 HB2 LEU 116 2HB LEU 116 14.059 3.065 -9.659 866 HB3 LEU 116 1HB LEU 116 14.907 3.837 -10.986 867 HG LEU 116 HG LEU 116 13.380 5.782 -10.796 868 HD11 LEU 116 1HD1 LEU 116 12.191 5.818 -8.457 869 HD12 LEU 116 2HD1 LEU 116 12.183 4.069 -8.674 870 HD13 LEU 116 3HD1 LEU 116 11.399 5.109 -9.863 871 HD21 LEU 116 3HD2 LEU 116 15.592 5.264 -9.374 872 HD22 LEU 116 1HD2 LEU 116 14.440 5.474 -8.055 873 HD23 LEU 116 2HD2 LEU 116 14.680 6.766 -9.229 874 HA PRO 117 HA PRO 117 14.322 1.544 -15.155 875 HB2 PRO 117 2HB PRO 117 15.541 3.528 -16.541 876 HB3 PRO 117 1HB PRO 117 13.789 3.289 -16.557 877 HG2 PRO 117 2HG PRO 117 15.423 5.231 -14.969 878 HG3 PRO 117 1HG PRO 117 13.894 5.493 -15.826 879 HD2 PRO 117 2HD PRO 117 14.030 5.106 -13.144 880 HD3 PRO 117 1HD PRO 117 12.639 4.593 -14.119 Start of MODEL 8 1 H MET 9 1HT MET 9 -16.661 -14.702 1.908 2 HA MET 9 HA MET 9 -18.622 -12.977 0.570 3 HB2 MET 9 2HB MET 9 -16.462 -12.287 2.518 4 HB3 MET 9 1HB MET 9 -16.717 -11.219 1.146 5 HG2 MET 9 2HG MET 9 -18.641 -10.409 1.962 6 HG3 MET 9 1HG MET 9 -19.144 -11.965 2.622 7 HE1 MET 9 2HE MET 9 -20.051 -11.485 4.630 8 HE2 MET 9 3HE MET 9 -19.918 -9.733 4.780 9 HE3 MET 9 1HE MET 9 -19.298 -10.776 6.060 10 H SER 10 H SER 10 -17.413 -15.151 -0.626 11 HA SER 10 HA SER 10 -14.899 -14.732 -1.774 12 HB2 SER 10 2HB SER 10 -15.958 -16.211 -3.678 13 HB3 SER 10 1HB SER 10 -15.664 -16.898 -2.080 14 HG SER 10 HG SER 10 -17.713 -17.392 -2.253 15 H ALA 11 H ALA 11 -18.020 -13.386 -2.584 16 HA ALA 11 HA ALA 11 -17.434 -12.542 -5.217 17 HB1 ALA 11 1HB ALA 11 -19.514 -11.669 -5.231 18 HB2 ALA 11 2HB ALA 11 -19.327 -10.910 -3.650 19 HB3 ALA 11 3HB ALA 11 -19.690 -12.631 -3.763 20 H PHE 12 H PHE 12 -16.171 -11.435 -2.277 21 HA PHE 12 HA PHE 12 -15.410 -8.862 -3.492 22 HB2 PHE 12 2HB PHE 12 -16.877 -9.101 -1.243 23 HB3 PHE 12 1HB PHE 12 -15.263 -9.159 -0.545 24 HD1 PHE 12 1HD PHE 12 -17.541 -7.119 -2.625 25 HD2 PHE 12 2HD PHE 12 -13.967 -7.210 -0.315 26 HE1 PHE 12 1HE PHE 12 -17.418 -4.663 -2.725 27 HE2 PHE 12 2HE PHE 12 -13.839 -4.755 -0.411 28 HZ PHE 12 HZ PHE 12 -15.567 -3.478 -1.617 29 H VAL 13 H VAL 13 -14.341 -11.543 -1.411 30 HA VAL 13 HA VAL 13 -11.712 -10.728 -0.965 31 HB VAL 13 HB VAL 13 -12.604 -13.592 -1.351 32 HG11 VAL 13 1HG1 VAL 13 -10.081 -12.687 -1.047 33 HG12 VAL 13 2HG1 VAL 13 -10.643 -14.257 -0.475 34 HG13 VAL 13 3HG1 VAL 13 -10.554 -12.894 0.641 35 HG21 VAL 13 3HG2 VAL 13 -13.165 -11.662 0.797 36 HG22 VAL 13 1HG2 VAL 13 -12.569 -13.234 1.335 37 HG23 VAL 13 2HG2 VAL 13 -14.018 -13.137 0.338 38 H THR 14 H THR 14 -12.983 -12.812 -3.570 39 HA THR 14 HA THR 14 -10.559 -13.205 -4.923 40 HB THR 14 HB THR 14 -13.309 -13.085 -6.175 41 HG1 THR 14 1HG THR 14 -13.692 -14.637 -4.811 42 HG21 THR 14 3HG2 THR 14 -12.236 -13.647 -8.027 43 HG22 THR 14 1HG2 THR 14 -11.910 -15.199 -7.259 44 HG23 THR 14 2HG2 THR 14 -10.718 -13.902 -7.168 45 H LYS 15 H LYS 15 -12.875 -10.554 -5.045 46 HA LYS 15 HA LYS 15 -11.883 -9.310 -7.384 47 HB2 LYS 15 2HB LYS 15 -13.300 -8.075 -5.014 48 HB3 LYS 15 1HB LYS 15 -13.084 -7.315 -6.586 49 HG2 LYS 15 2HG LYS 15 -14.261 -9.698 -7.238 50 HG3 LYS 15 1HG LYS 15 -15.032 -9.286 -5.706 51 HD2 LYS 15 2HD LYS 15 -15.695 -7.133 -6.571 52 HD3 LYS 15 1HD LYS 15 -14.817 -7.432 -8.072 53 HE2 LYS 15 2HE LYS 15 -16.924 -9.354 -7.196 54 HE3 LYS 15 1HE LYS 15 -17.402 -7.829 -7.936 55 HZ1 LYS 15 3HZ LYS 15 -17.237 -9.191 -9.753 56 HZ2 LYS 15 1HZ LYS 15 -15.954 -10.094 -9.120 57 HZ3 LYS 15 2HZ LYS 15 -15.676 -8.542 -9.731 58 H ALA 16 H ALA 16 -10.901 -9.198 -4.015 59 HA ALA 16 HA ALA 16 -9.251 -6.911 -4.131 60 HB1 ALA 16 1HB ALA 16 -10.068 -8.446 -2.111 61 HB2 ALA 16 2HB ALA 16 -8.640 -7.417 -2.001 62 HB3 ALA 16 3HB ALA 16 -8.462 -9.138 -2.339 63 H GLU 17 H GLU 17 -8.529 -10.372 -4.549 64 HA GLU 17 HA GLU 17 -5.770 -9.963 -5.129 65 HB2 GLU 17 2HB GLU 17 -5.790 -12.323 -5.872 66 HB3 GLU 17 1HB GLU 17 -6.495 -12.104 -4.279 67 HG2 GLU 17 2HG GLU 17 -8.718 -12.315 -5.181 68 HG3 GLU 17 1HG GLU 17 -8.081 -12.395 -6.823 69 H GLU 18 H GLU 18 -8.698 -10.110 -7.063 70 HA GLU 18 HA GLU 18 -7.471 -10.358 -9.596 71 HB2 GLU 18 2HB GLU 18 -10.128 -9.965 -8.574 72 HB3 GLU 18 1HB GLU 18 -9.838 -8.831 -9.887 73 HG2 GLU 18 2HG GLU 18 -10.545 -10.549 -11.149 74 HG3 GLU 18 1HG GLU 18 -8.866 -11.059 -11.007 75 H MET 19 H MET 19 -8.265 -7.575 -7.565 76 HA MET 19 HA MET 19 -7.723 -5.563 -9.462 77 HB2 MET 19 2HB MET 19 -8.145 -5.705 -6.560 78 HB3 MET 19 1HB MET 19 -7.083 -4.397 -7.059 79 HG2 MET 19 2HG MET 19 -9.352 -4.467 -8.786 80 HG3 MET 19 1HG MET 19 -9.894 -4.483 -7.109 81 HE1 MET 19 3HE MET 19 -10.267 -2.883 -5.854 82 HE2 MET 19 1HE MET 19 -10.294 -1.187 -6.338 83 HE3 MET 19 2HE MET 19 -8.956 -1.807 -5.371 84 H ILE 20 H ILE 20 -5.640 -7.081 -6.992 85 HA ILE 20 HA ILE 20 -3.350 -5.538 -7.705 86 HB ILE 20 HB ILE 20 -2.108 -7.195 -6.308 87 HG12 ILE 20 2HG1 ILE 20 -4.817 -8.287 -5.570 88 HG13 ILE 20 1HG1 ILE 20 -3.780 -9.067 -6.760 89 HG21 ILE 20 1HG2 ILE 20 -2.642 -6.086 -4.408 90 HG22 ILE 20 2HG2 ILE 20 -4.376 -6.312 -4.633 91 HG23 ILE 20 3HG2 ILE 20 -3.521 -5.076 -5.556 92 HD11 ILE 20 3HD1 ILE 20 -3.280 -10.227 -4.846 93 HD12 ILE 20 1HD1 ILE 20 -3.423 -8.800 -3.816 94 HD13 ILE 20 2HD1 ILE 20 -2.014 -9.000 -4.858 95 H LYS 21 H LYS 21 -4.834 -8.329 -9.034 96 HA LYS 21 HA LYS 21 -2.604 -9.703 -10.034 97 HB2 LYS 21 2HB LYS 21 -5.401 -9.941 -10.193 98 HB3 LYS 21 1HB LYS 21 -4.837 -9.838 -11.853 99 HG2 LYS 21 2HG LYS 21 -3.738 -11.770 -9.823 100 HG3 LYS 21 1HG LYS 21 -5.029 -12.154 -10.963 101 HD2 LYS 21 2HD LYS 21 -3.395 -12.801 -12.346 102 HD3 LYS 21 1HD LYS 21 -3.089 -11.080 -12.587 103 HE2 LYS 21 2HE LYS 21 -1.644 -11.409 -10.388 104 HE3 LYS 21 1HE LYS 21 -1.596 -13.075 -10.961 105 HZ1 LYS 21 3HZ LYS 21 -0.625 -10.649 -12.362 106 HZ2 LYS 21 1HZ LYS 21 -0.818 -12.141 -13.141 107 HZ3 LYS 21 2HZ LYS 21 0.278 -11.989 -11.859 108 H SER 22 H SER 22 -4.809 -7.527 -11.821 109 HA SER 22 HA SER 22 -2.850 -7.182 -13.928 110 HB2 SER 22 2HB SER 22 -5.717 -6.480 -13.543 111 HB3 SER 22 1HB SER 22 -4.782 -5.462 -14.638 112 HG SER 22 HG SER 22 -4.523 -7.111 -15.987 113 H HIS 23 H HIS 23 -3.746 -5.604 -11.018 114 HA HIS 23 HA HIS 23 -2.072 -3.306 -11.770 115 HB2 HIS 23 2HB HIS 23 -4.792 -3.338 -10.695 116 HB3 HIS 23 1HB HIS 23 -3.694 -2.355 -9.738 117 HD1 HIS 23 1HD HIS 23 -6.095 -1.406 -11.691 118 HD2 HIS 23 2HD HIS 23 -2.007 -1.158 -12.394 119 HE1 HIS 23 1HE HIS 23 -5.813 0.438 -13.377 120 HE2 HIS 23 2HE HIS 23 -3.327 0.609 -13.746 121 HA PRO 24 HA PRO 24 -0.332 -5.676 -8.126 122 HB2 PRO 24 2HB PRO 24 2.245 -5.546 -9.032 123 HB3 PRO 24 1HB PRO 24 1.130 -6.862 -9.414 124 HG2 PRO 24 2HG PRO 24 1.856 -4.461 -11.048 125 HG3 PRO 24 1HG PRO 24 1.675 -6.151 -11.558 126 HD2 PRO 24 2HD PRO 24 -0.259 -4.342 -11.990 127 HD3 PRO 24 1HD PRO 24 -0.638 -6.027 -11.584 128 H TYR 25 H TYR 25 0.350 -2.628 -9.683 129 HA TYR 25 HA TYR 25 1.917 -1.655 -7.429 130 HB2 TYR 25 2HB TYR 25 1.279 -0.661 -10.173 131 HB3 TYR 25 1HB TYR 25 1.663 0.529 -8.938 132 HD1 TYR 25 2HD TYR 25 3.852 -0.121 -7.505 133 HD2 TYR 25 1HD TYR 25 3.024 -1.417 -11.474 134 HE1 TYR 25 2HE TYR 25 6.252 -0.496 -7.879 135 HE2 TYR 25 1HE TYR 25 5.423 -1.797 -11.857 136 HH TYR 25 HH TYR 25 7.761 -0.541 -10.285 137 H PHE 26 H PHE 26 -0.138 -2.162 -6.124 138 HA PHE 26 HA PHE 26 -2.000 0.117 -6.211 139 HB2 PHE 26 2HB PHE 26 -2.833 -2.322 -6.420 140 HB3 PHE 26 1HB PHE 26 -2.495 -2.438 -4.698 141 HD1 PHE 26 1HD PHE 26 -4.125 0.079 -6.939 142 HD2 PHE 26 2HD PHE 26 -4.367 -2.263 -3.391 143 HE1 PHE 26 1HE PHE 26 -6.329 1.054 -6.448 144 HE2 PHE 26 2HE PHE 26 -6.570 -1.289 -2.895 145 HZ PHE 26 HZ PHE 26 -7.555 0.370 -4.424 146 H GLN 27 H GLN 27 -2.402 1.336 -4.378 147 HA GLN 27 HA GLN 27 -0.880 0.686 -1.951 148 HB2 GLN 27 2HB GLN 27 -0.034 2.617 -3.706 149 HB3 GLN 27 1HB GLN 27 -0.994 3.553 -2.570 150 HG2 GLN 27 2HG GLN 27 0.747 1.703 -1.198 151 HG3 GLN 27 1HG GLN 27 1.649 2.767 -2.278 152 HE21 GLN 27 1HE2 GLN 27 1.388 5.062 -2.008 153 HE22 GLN 27 2HE2 GLN 27 0.980 5.704 -0.457 154 H LEU 28 H LEU 28 -1.997 0.959 -0.105 155 HA LEU 28 HA LEU 28 -4.622 2.283 -0.290 156 HB2 LEU 28 2HB LEU 28 -4.597 -0.164 0.199 157 HB3 LEU 28 1HB LEU 28 -3.730 0.182 1.679 158 HG LEU 28 HG LEU 28 -5.736 1.653 2.313 159 HD11 LEU 28 1HD1 LEU 28 -6.961 1.913 0.365 160 HD12 LEU 28 2HD1 LEU 28 -7.861 0.662 1.221 161 HD13 LEU 28 3HD1 LEU 28 -6.779 0.220 -0.099 162 HD21 LEU 28 3HD2 LEU 28 -5.920 -1.350 2.117 163 HD22 LEU 28 1HD2 LEU 28 -7.028 -0.356 3.063 164 HD23 LEU 28 2HD2 LEU 28 -5.313 -0.392 3.468 165 H SER 29 H SER 29 -4.670 4.231 0.602 166 HA SER 29 HA SER 29 -3.273 4.667 3.156 167 HB2 SER 29 2HB SER 29 -3.467 6.858 1.101 168 HB3 SER 29 1HB SER 29 -2.376 6.731 2.480 169 HG SER 29 HG SER 29 -1.328 6.291 0.486 170 H ALA 30 H ALA 30 -4.081 6.833 4.168 171 HA ALA 30 HA ALA 30 -7.001 6.714 4.166 172 HB1 ALA 30 1HB ALA 30 -6.760 8.184 6.209 173 HB2 ALA 30 2HB ALA 30 -5.018 7.949 6.068 174 HB3 ALA 30 3HB ALA 30 -6.077 6.565 6.342 175 H SER 31 H SER 31 -4.964 9.551 4.809 176 HA SER 31 HA SER 31 -5.443 10.941 2.432 177 HB2 SER 31 2HB SER 31 -7.141 12.582 3.157 178 HB3 SER 31 1HB SER 31 -7.797 10.950 3.112 179 HG SER 31 HG SER 31 -7.744 12.634 5.156 180 H TRP 32 H TRP 32 -5.559 11.804 5.906 181 HA TRP 32 HA TRP 32 -2.987 13.175 5.600 182 HB2 TRP 32 2HB TRP 32 -5.556 14.422 6.555 183 HB3 TRP 32 1HB TRP 32 -3.994 15.052 7.068 184 HD1 TRP 32 HD TRP 32 -6.482 15.932 4.724 185 HE1 TRP 32 1HE TRP 32 -5.537 17.116 2.643 186 HE3 TRP 32 3HE TRP 32 -1.557 14.619 5.200 187 HZ2 TRP 32 2HZ TRP 32 -3.038 17.448 1.371 188 HZ3 TRP 32 3HZ TRP 32 0.041 15.410 3.505 189 HH2 TRP 32 HH TRP 32 -0.686 16.794 1.631 190 H CYS 33 H CYS 33 -3.406 10.695 6.777 191 HA CYS 33 HA CYS 33 -3.664 10.962 9.634 192 HB2 CYS 33 2HB CYS 33 -3.471 8.785 7.698 193 HB3 CYS 33 1HB CYS 33 -2.513 8.477 9.142 194 HG CYS 33 HG CYS 33 -4.702 7.597 9.909 195 HA PRO 34 HA PRO 34 0.525 11.708 10.788 196 HB2 PRO 34 2HB PRO 34 0.955 9.908 12.808 197 HB3 PRO 34 1HB PRO 34 0.033 11.403 12.997 198 HG2 PRO 34 2HG PRO 34 -0.947 8.610 12.576 199 HG3 PRO 34 1HG PRO 34 -1.582 9.872 13.646 200 HD2 PRO 34 2HD PRO 34 -2.733 9.279 11.279 201 HD3 PRO 34 1HD PRO 34 -2.719 10.926 11.938 202 H ASP 35 H ASP 35 -0.287 8.292 10.302 203 HA ASP 35 HA ASP 35 2.488 7.638 9.688 204 HB2 ASP 35 2HB ASP 35 0.023 5.883 9.784 205 HB3 ASP 35 1HB ASP 35 1.665 5.312 9.509 206 H CYS 36 H CYS 36 -0.627 7.988 8.080 207 HA CYS 36 HA CYS 36 0.145 6.896 5.582 208 HB2 CYS 36 2HB CYS 36 -2.048 8.866 6.258 209 HB3 CYS 36 1HB CYS 36 -1.873 8.052 4.706 210 HG CYS 36 HG CYS 36 -2.504 6.495 7.329 211 H VAL 37 H VAL 37 0.096 10.228 6.835 212 HA VAL 37 HA VAL 37 0.817 11.546 4.481 213 HB VAL 37 HB VAL 37 0.067 12.713 6.527 214 HG11 VAL 37 1HG1 VAL 37 2.864 12.498 7.592 215 HG12 VAL 37 2HG1 VAL 37 1.625 11.321 8.025 216 HG13 VAL 37 3HG1 VAL 37 1.396 13.024 8.417 217 HG21 VAL 37 3HG2 VAL 37 1.036 14.635 5.860 218 HG22 VAL 37 1HG2 VAL 37 1.706 13.619 4.585 219 HG23 VAL 37 2HG2 VAL 37 2.670 13.991 6.014 220 H TYR 38 H TYR 38 2.801 9.772 6.781 221 HA TYR 38 HA TYR 38 5.333 10.706 5.960 222 HB2 TYR 38 2HB TYR 38 4.714 9.302 8.031 223 HB3 TYR 38 1HB TYR 38 4.816 7.910 6.959 224 HD1 TYR 38 1HD TYR 38 7.055 7.643 5.639 225 HD2 TYR 38 2HD TYR 38 6.622 10.055 9.117 226 HE1 TYR 38 1HE TYR 38 9.482 7.533 6.008 227 HE2 TYR 38 2HE TYR 38 9.051 9.955 9.495 228 HH TYR 38 HH TYR 38 11.239 8.949 7.189 229 H ALA 39 H ALA 39 3.516 7.781 5.003 230 HA ALA 39 HA ALA 39 5.367 6.824 3.126 231 HB1 ALA 39 1HB ALA 39 3.115 5.819 2.119 232 HB2 ALA 39 2HB ALA 39 2.503 6.327 3.693 233 HB3 ALA 39 3HB ALA 39 3.855 5.201 3.595 234 H ASN 40 H ASN 40 2.728 9.157 2.775 235 HA ASN 40 HA ASN 40 2.931 9.317 -0.072 236 HB2 ASN 40 2HB ASN 40 1.457 10.851 2.041 237 HB3 ASN 40 1HB ASN 40 1.601 11.530 0.424 238 HD21 ASN 40 1HD2 ASN 40 1.216 9.673 -1.310 239 HD22 ASN 40 2HD2 ASN 40 -0.265 8.813 -1.074 240 H SER 41 H SER 41 4.336 11.010 2.655 241 HA SER 41 HA SER 41 5.324 13.267 1.353 242 HB2 SER 41 2HB SER 41 5.326 13.096 3.779 243 HB3 SER 41 1HB SER 41 6.464 11.752 3.712 244 HG SER 41 HG SER 41 7.830 13.359 3.979 245 H ILE 42 H ILE 42 6.756 10.052 1.789 246 HA ILE 42 HA ILE 42 9.240 10.644 0.571 247 HB ILE 42 HB ILE 42 7.935 7.923 0.680 248 HG12 ILE 42 2HG1 ILE 42 7.913 8.944 2.920 249 HG13 ILE 42 1HG1 ILE 42 9.056 7.611 2.841 250 HG21 ILE 42 1HG2 ILE 42 9.937 7.042 0.125 251 HG22 ILE 42 2HG2 ILE 42 10.845 8.271 1.006 252 HG23 ILE 42 3HG2 ILE 42 10.198 8.630 -0.593 253 HD11 ILE 42 3HD1 ILE 42 10.903 9.088 2.803 254 HD12 ILE 42 1HD1 ILE 42 9.827 9.642 4.085 255 HD13 ILE 42 2HD1 ILE 42 9.864 10.487 2.538 256 H TRP 43 H TRP 43 6.262 9.158 -0.708 257 HA TRP 43 HA TRP 43 7.261 8.708 -3.310 258 HB2 TRP 43 2HB TRP 43 4.668 8.552 -1.961 259 HB3 TRP 43 1HB TRP 43 4.540 9.031 -3.651 260 HD1 TRP 43 HD TRP 43 3.567 6.790 -4.583 261 HE1 TRP 43 1HE TRP 43 4.500 4.405 -4.829 262 HE3 TRP 43 3HE TRP 43 7.764 7.246 -1.690 263 HZ2 TRP 43 2HZ TRP 43 6.717 2.915 -3.920 264 HZ3 TRP 43 3HZ TRP 43 9.234 5.292 -1.432 265 HH2 TRP 43 HH TRP 43 8.720 3.171 -2.525 266 H ASN 44 H ASN 44 5.732 11.490 -1.796 267 HA ASN 44 HA ASN 44 5.238 12.962 -4.165 268 HB2 ASN 44 2HB ASN 44 5.262 13.528 -1.256 269 HB3 ASN 44 1HB ASN 44 5.516 14.912 -2.308 270 HD21 ASN 44 1HD2 ASN 44 3.917 14.787 -4.304 271 HD22 ASN 44 2HD2 ASN 44 2.266 14.561 -3.856 272 H LYS 45 H LYS 45 8.015 12.774 -1.973 273 HA LYS 45 HA LYS 45 9.458 14.836 -3.381 274 HB2 LYS 45 2HB LYS 45 9.596 14.029 -0.846 275 HB3 LYS 45 1HB LYS 45 10.845 12.985 -1.510 276 HG2 LYS 45 2HG LYS 45 11.797 15.155 -2.533 277 HG3 LYS 45 1HG LYS 45 10.766 15.971 -1.357 278 HD2 LYS 45 2HD LYS 45 12.853 15.763 -0.296 279 HD3 LYS 45 1HD LYS 45 11.860 14.481 0.397 280 HE2 LYS 45 2HE LYS 45 13.700 13.239 -0.068 281 HE3 LYS 45 1HE LYS 45 12.920 13.123 -1.642 282 HZ1 LYS 45 3HZ LYS 45 15.306 14.616 -0.856 283 HZ2 LYS 45 1HZ LYS 45 14.312 15.318 -2.034 284 HZ3 LYS 45 2HZ LYS 45 14.974 13.783 -2.289 285 H LEU 46 H LEU 46 9.171 11.372 -3.561 286 HA LEU 46 HA LEU 46 11.640 10.992 -4.989 287 HB2 LEU 46 2HB LEU 46 9.333 9.232 -4.260 288 HB3 LEU 46 1HB LEU 46 10.491 8.696 -5.461 289 HG LEU 46 HG LEU 46 11.209 9.482 -2.637 290 HD11 LEU 46 1HD1 LEU 46 11.652 6.935 -2.535 291 HD12 LEU 46 2HD1 LEU 46 10.530 6.853 -3.892 292 HD13 LEU 46 3HD1 LEU 46 10.001 7.525 -2.349 293 HD21 LEU 46 3HD2 LEU 46 12.788 8.255 -4.892 294 HD22 LEU 46 1HD2 LEU 46 13.335 8.294 -3.217 295 HD23 LEU 46 2HD2 LEU 46 13.077 9.800 -4.095 296 H ASN 47 H ASN 47 8.631 12.211 -5.898 297 HA ASN 47 HA ASN 47 7.553 12.529 -7.873 298 HB2 ASN 47 2HB ASN 47 9.680 13.793 -8.196 299 HB3 ASN 47 1HB ASN 47 10.355 12.376 -8.989 300 HD21 ASN 47 1HD2 ASN 47 10.685 13.599 -10.881 301 HD22 ASN 47 2HD2 ASN 47 9.373 13.998 -11.932 302 H VAL 48 H VAL 48 7.332 9.922 -7.146 303 HA VAL 48 HA VAL 48 7.298 8.579 -9.746 304 HB VAL 48 HB VAL 48 8.006 6.420 -8.655 305 HG11 VAL 48 1HG1 VAL 48 10.154 6.732 -9.309 306 HG12 VAL 48 2HG1 VAL 48 10.334 8.230 -8.395 307 HG13 VAL 48 3HG1 VAL 48 9.481 8.234 -9.938 308 HG21 VAL 48 3HG2 VAL 48 7.955 6.535 -6.399 309 HG22 VAL 48 1HG2 VAL 48 8.341 8.256 -6.365 310 HG23 VAL 48 2HG2 VAL 48 9.622 7.071 -6.611 311 H GLN 49 H GLN 49 5.153 9.795 -8.452 312 HA GLN 49 HA GLN 49 3.625 7.624 -7.220 313 HB2 GLN 49 2HB GLN 49 1.901 9.448 -6.837 314 HB3 GLN 49 1HB GLN 49 3.414 9.605 -5.959 315 HG2 GLN 49 2HG GLN 49 4.031 11.475 -7.073 316 HG3 GLN 49 1HG GLN 49 3.242 10.981 -8.571 317 HE21 GLN 49 1HE2 GLN 49 2.022 11.418 -5.260 318 HE22 GLN 49 2HE2 GLN 49 0.796 12.558 -5.684 319 H ASP 50 H ASP 50 3.971 9.200 -10.245 320 HA ASP 50 HA ASP 50 1.311 8.694 -11.203 321 HB2 ASP 50 2HB ASP 50 3.136 10.421 -12.035 322 HB3 ASP 50 1HB ASP 50 3.619 9.078 -13.066 323 H LYS 51 H LYS 51 4.494 7.181 -11.630 324 HA LYS 51 HA LYS 51 3.713 5.162 -13.418 325 HB2 LYS 51 2HB LYS 51 5.952 5.245 -11.389 326 HB3 LYS 51 1HB LYS 51 5.770 3.973 -12.590 327 HG2 LYS 51 2HG LYS 51 5.974 5.653 -14.376 328 HG3 LYS 51 1HG LYS 51 6.206 6.902 -13.152 329 HD2 LYS 51 2HD LYS 51 8.137 5.363 -12.332 330 HD3 LYS 51 1HD LYS 51 8.026 4.664 -13.949 331 HE2 LYS 51 2HE LYS 51 8.775 6.570 -14.975 332 HE3 LYS 51 1HE LYS 51 8.152 7.626 -13.707 333 HZ1 LYS 51 3HZ LYS 51 10.323 7.752 -13.175 334 HZ2 LYS 51 1HZ LYS 51 10.720 6.276 -13.901 335 HZ3 LYS 51 2HZ LYS 51 10.025 6.301 -12.358 336 H VAL 52 H VAL 52 3.237 5.466 -9.987 337 HA VAL 52 HA VAL 52 2.419 2.654 -9.757 338 HB VAL 52 HB VAL 52 2.700 4.665 -7.516 339 HG11 VAL 52 1HG1 VAL 52 2.457 1.669 -7.601 340 HG12 VAL 52 2HG1 VAL 52 1.395 2.831 -6.805 341 HG13 VAL 52 3HG1 VAL 52 3.017 2.545 -6.178 342 HG21 VAL 52 3HG2 VAL 52 4.869 3.195 -7.147 343 HG22 VAL 52 1HG2 VAL 52 4.885 4.632 -8.169 344 HG23 VAL 52 2HG2 VAL 52 4.760 3.031 -8.899 345 H PHE 53 H PHE 53 0.364 2.225 -8.559 346 HA PHE 53 HA PHE 53 -1.628 4.313 -9.091 347 HB2 PHE 53 2HB PHE 53 -1.654 1.972 -10.323 348 HB3 PHE 53 1HB PHE 53 -2.396 1.429 -8.822 349 HD1 PHE 53 1HD PHE 53 -4.263 3.333 -8.006 350 HD2 PHE 53 2HD PHE 53 -3.167 2.336 -11.998 351 HE1 PHE 53 1HE PHE 53 -6.450 4.130 -8.803 352 HE2 PHE 53 2HE PHE 53 -5.351 3.133 -12.800 353 HZ PHE 53 HZ PHE 53 -6.996 4.031 -11.203 354 H VAL 54 H VAL 54 -2.158 5.266 -7.291 355 HA VAL 54 HA VAL 54 -2.344 3.701 -4.807 356 HB VAL 54 HB VAL 54 -0.755 5.566 -4.713 357 HG11 VAL 54 1HG1 VAL 54 -1.765 7.081 -6.304 358 HG12 VAL 54 2HG1 VAL 54 -1.566 7.892 -4.752 359 HG13 VAL 54 3HG1 VAL 54 -3.157 7.312 -5.245 360 HG21 VAL 54 3HG2 VAL 54 -1.251 6.078 -2.568 361 HG22 VAL 54 1HG2 VAL 54 -2.496 4.852 -2.799 362 HG23 VAL 54 2HG2 VAL 54 -2.904 6.562 -2.949 363 H PHE 55 H PHE 55 -4.147 3.753 -3.539 364 HA PHE 55 HA PHE 55 -6.490 5.221 -4.540 365 HB2 PHE 55 2HB PHE 55 -6.629 2.871 -5.277 366 HB3 PHE 55 1HB PHE 55 -6.482 2.344 -3.606 367 HD1 PHE 55 2HD PHE 55 -8.684 3.887 -6.094 368 HD2 PHE 55 1HD PHE 55 -8.332 2.545 -2.069 369 HE1 PHE 55 2HE PHE 55 -11.130 4.002 -5.844 370 HE2 PHE 55 1HE PHE 55 -10.776 2.657 -1.816 371 HZ PHE 55 HZ PHE 55 -12.177 3.386 -3.703 372 H ASP 56 H ASP 56 -7.562 6.313 -3.029 373 HA ASP 56 HA ASP 56 -6.666 6.153 -0.277 374 HB2 ASP 56 2HB ASP 56 -8.054 8.160 0.065 375 HB3 ASP 56 1HB ASP 56 -6.952 8.355 -1.294 376 H ILE 57 H ILE 57 -7.739 5.247 1.381 377 HA ILE 57 HA ILE 57 -10.245 3.869 0.794 378 HB ILE 57 HB ILE 57 -8.367 2.648 1.880 379 HG12 ILE 57 2HG1 ILE 57 -10.436 2.529 3.973 380 HG13 ILE 57 1HG1 ILE 57 -11.049 2.406 2.328 381 HG21 ILE 57 1HG2 ILE 57 -7.257 3.584 3.548 382 HG22 ILE 57 2HG2 ILE 57 -8.678 3.373 4.570 383 HG23 ILE 57 3HG2 ILE 57 -8.452 4.876 3.676 384 HD11 ILE 57 3HD1 ILE 57 -10.503 0.244 3.493 385 HD12 ILE 57 1HD1 ILE 57 -8.805 0.699 3.344 386 HD13 ILE 57 2HD1 ILE 57 -9.788 0.473 1.897 387 H GLY 58 H GLY 58 -10.199 6.801 1.136 388 HA2 GLY 58 2HA GLY 58 -11.730 7.115 3.628 389 HA3 GLY 58 1HA GLY 58 -10.997 8.420 2.711 390 H SER 59 H SER 59 -12.534 6.199 0.657 391 HA SER 59 HA SER 59 -14.870 7.982 0.456 392 HB2 SER 59 2HB SER 59 -14.062 6.107 -1.746 393 HB3 SER 59 1HB SER 59 -14.922 7.643 -1.847 394 HG SER 59 HG SER 59 -12.231 7.134 -1.885 395 H LEU 60 H LEU 60 -14.613 5.704 2.303 396 HA LEU 60 HA LEU 60 -17.033 4.285 1.484 397 HB2 LEU 60 2HB LEU 60 -15.944 2.169 2.482 398 HB3 LEU 60 1HB LEU 60 -15.544 2.633 0.840 399 HG LEU 60 HG LEU 60 -13.721 3.728 2.869 400 HD11 LEU 60 1HD1 LEU 60 -13.531 0.787 2.312 401 HD12 LEU 60 2HD1 LEU 60 -14.380 1.414 3.725 402 HD13 LEU 60 3HD1 LEU 60 -12.661 1.749 3.508 403 HD21 LEU 60 3HD2 LEU 60 -12.769 2.017 0.670 404 HD22 LEU 60 1HD2 LEU 60 -12.241 3.621 1.177 405 HD23 LEU 60 2HD2 LEU 60 -13.687 3.442 0.184 406 HA PRO 61 HA PRO 61 -18.057 5.262 5.699 407 HB2 PRO 61 2HB PRO 61 -20.335 3.807 5.900 408 HB3 PRO 61 1HB PRO 61 -20.247 5.311 4.973 409 HG2 PRO 61 2HG PRO 61 -20.119 2.478 4.008 410 HG3 PRO 61 1HG PRO 61 -21.000 3.857 3.322 411 HD2 PRO 61 2HD PRO 61 -18.625 2.986 2.335 412 HD3 PRO 61 1HD PRO 61 -19.134 4.685 2.264 413 H ARG 62 H ARG 62 -18.947 3.886 7.671 414 HA ARG 62 HA ARG 62 -16.926 2.132 8.455 415 HB2 ARG 62 2HB ARG 62 -19.733 2.196 9.572 416 HB3 ARG 62 1HB ARG 62 -18.283 1.626 10.388 417 HG2 ARG 62 2HG ARG 62 -17.402 4.020 10.070 418 HG3 ARG 62 1HG ARG 62 -19.082 4.437 9.725 419 HD2 ARG 62 2HD ARG 62 -19.360 2.983 12.004 420 HD3 ARG 62 1HD ARG 62 -17.790 3.735 12.272 421 HE ARG 62 HE ARG 62 -18.862 5.713 12.618 422 HH11 ARG 62 1HH1 ARG 62 -21.009 3.629 10.793 423 HH12 ARG 62 2HH1 ARG 62 -22.349 4.719 10.881 424 HH21 ARG 62 1HH2 ARG 62 -20.633 7.156 12.723 425 HH22 ARG 62 2HH2 ARG 62 -22.136 6.723 11.981 426 H ASN 63 H ASN 63 -19.887 1.511 6.698 427 HA ASN 63 HA ASN 63 -20.100 -1.261 7.130 428 HB2 ASN 63 2HB ASN 63 -21.068 0.603 4.982 429 HB3 ASN 63 1HB ASN 63 -21.273 -1.133 4.801 430 HD21 ASN 63 1HD2 ASN 63 -22.831 1.548 5.697 431 HD22 ASN 63 2HD2 ASN 63 -23.942 0.899 6.849 432 H GLU 64 H GLU 64 -18.712 0.498 4.334 433 HA GLU 64 HA GLU 64 -17.606 -1.860 3.181 434 HB2 GLU 64 2HB GLU 64 -17.563 1.031 2.606 435 HB3 GLU 64 1HB GLU 64 -16.153 0.138 2.051 436 HG2 GLU 64 2HG GLU 64 -17.663 -1.422 0.865 437 HG3 GLU 64 1HG GLU 64 -19.025 -0.414 1.347 438 H GLN 65 H GLN 65 -16.419 0.514 5.475 439 HA GLN 65 HA GLN 65 -13.681 0.094 5.311 440 HB2 GLN 65 2HB GLN 65 -15.547 1.037 7.406 441 HB3 GLN 65 1HB GLN 65 -13.981 0.473 7.974 442 HG2 GLN 65 2HG GLN 65 -13.234 2.061 5.911 443 HG3 GLN 65 1HG GLN 65 -14.690 2.884 6.464 444 HE21 GLN 65 1HE2 GLN 65 -14.799 3.441 8.754 445 HE22 GLN 65 2HE2 GLN 65 -13.338 3.837 9.587 446 H GLU 66 H GLU 66 -16.106 -1.713 7.193 447 HA GLU 66 HA GLU 66 -14.282 -3.487 8.422 448 HB2 GLU 66 2HB GLU 66 -16.829 -3.020 8.884 449 HB3 GLU 66 1HB GLU 66 -17.073 -4.341 7.750 450 HG2 GLU 66 2HG GLU 66 -15.728 -5.807 9.154 451 HG3 GLU 66 1HG GLU 66 -15.456 -4.483 10.285 452 H LYS 67 H LYS 67 -16.111 -3.659 5.394 453 HA LYS 67 HA LYS 67 -15.496 -6.296 4.688 454 HB2 LYS 67 2HB LYS 67 -15.971 -3.932 2.862 455 HB3 LYS 67 1HB LYS 67 -16.029 -5.621 2.381 456 HG2 LYS 67 2HG LYS 67 -17.855 -5.843 4.193 457 HG3 LYS 67 1HG LYS 67 -17.938 -4.084 4.097 458 HD2 LYS 67 2HD LYS 67 -19.474 -4.545 2.497 459 HD3 LYS 67 1HD LYS 67 -18.036 -4.668 1.481 460 HE2 LYS 67 2HE LYS 67 -18.804 -7.129 2.914 461 HE3 LYS 67 1HE LYS 67 -19.934 -6.587 1.674 462 HZ1 LYS 67 3HZ LYS 67 -17.027 -6.965 1.204 463 HZ2 LYS 67 1HZ LYS 67 -18.220 -6.661 0.043 464 HZ3 LYS 67 2HZ LYS 67 -18.196 -8.138 0.864 465 H TRP 68 H TRP 68 -13.790 -3.263 3.906 466 HA TRP 68 HA TRP 68 -11.760 -4.463 2.348 467 HB2 TRP 68 2HB TRP 68 -12.429 -1.837 3.179 468 HB3 TRP 68 1HB TRP 68 -10.760 -2.116 3.660 469 HD1 TRP 68 HD TRP 68 -8.961 -2.524 1.700 470 HE1 TRP 68 1HE TRP 68 -9.007 -1.935 -0.804 471 HE3 TRP 68 3HE TRP 68 -13.972 -1.639 1.159 472 HZ2 TRP 68 2HZ TRP 68 -10.912 -1.193 -2.752 473 HZ3 TRP 68 3HZ TRP 68 -14.822 -0.994 -1.058 474 HH2 TRP 68 HH TRP 68 -13.323 -0.776 -2.972 475 H ARG 69 H ARG 69 -12.006 -3.780 5.816 476 HA ARG 69 HA ARG 69 -9.343 -4.330 6.511 477 HB2 ARG 69 2HB ARG 69 -11.203 -3.298 7.951 478 HB3 ARG 69 1HB ARG 69 -11.690 -4.952 8.295 479 HG2 ARG 69 2HG ARG 69 -9.284 -5.325 9.060 480 HG3 ARG 69 1HG ARG 69 -9.130 -3.567 9.029 481 HD2 ARG 69 2HD ARG 69 -9.846 -3.709 11.156 482 HD3 ARG 69 1HD ARG 69 -11.438 -3.845 10.412 483 HE ARG 69 HE ARG 69 -10.577 -6.411 10.524 484 HH11 ARG 69 1HH1 ARG 69 -10.867 -3.870 12.921 485 HH12 ARG 69 2HH1 ARG 69 -11.128 -4.969 14.233 486 HH21 ARG 69 1HH2 ARG 69 -10.931 -7.853 12.260 487 HH22 ARG 69 2HH2 ARG 69 -11.165 -7.229 13.859 488 H ILE 70 H ILE 70 -12.194 -6.487 6.615 489 HA ILE 70 HA ILE 70 -10.761 -8.792 7.385 490 HB ILE 70 HB ILE 70 -13.355 -8.728 5.832 491 HG12 ILE 70 2HG1 ILE 70 -13.272 -9.064 8.799 492 HG13 ILE 70 1HG1 ILE 70 -13.057 -7.440 8.154 493 HG21 ILE 70 1HG2 ILE 70 -12.291 -10.829 7.718 494 HG22 ILE 70 2HG2 ILE 70 -12.175 -10.917 5.959 495 HG23 ILE 70 3HG2 ILE 70 -13.757 -10.915 6.738 496 HD11 ILE 70 3HD1 ILE 70 -15.357 -7.746 8.677 497 HD12 ILE 70 1HD1 ILE 70 -15.421 -9.253 7.764 498 HD13 ILE 70 2HD1 ILE 70 -15.197 -7.719 6.921 499 H ALA 71 H ALA 71 -11.534 -7.434 4.215 500 HA ALA 71 HA ALA 71 -10.707 -9.660 2.676 501 HB1 ALA 71 1HB ALA 71 -12.095 -7.602 1.956 502 HB2 ALA 71 2HB ALA 71 -10.974 -8.320 0.800 503 HB3 ALA 71 3HB ALA 71 -10.528 -6.848 1.659 504 H PHE 72 H PHE 72 -9.010 -6.587 3.399 505 HA PHE 72 HA PHE 72 -6.582 -7.235 2.178 506 HB2 PHE 72 2HB PHE 72 -7.575 -5.119 3.789 507 HB3 PHE 72 1HB PHE 72 -6.067 -5.659 4.518 508 HD1 PHE 72 2HD PHE 72 -7.231 -5.249 0.983 509 HD2 PHE 72 1HD PHE 72 -4.332 -4.277 3.948 510 HE1 PHE 72 2HE PHE 72 -5.961 -3.958 -0.684 511 HE2 PHE 72 1HE PHE 72 -3.062 -2.985 2.284 512 HZ PHE 72 HZ PHE 72 -3.874 -2.824 -0.033 513 H GLN 73 H GLN 73 -7.697 -7.892 5.491 514 HA GLN 73 HA GLN 73 -5.245 -8.934 6.433 515 HB2 GLN 73 2HB GLN 73 -7.782 -8.453 7.513 516 HB3 GLN 73 1HB GLN 73 -7.525 -10.182 7.700 517 HG2 GLN 73 2HG GLN 73 -5.145 -8.786 8.445 518 HG3 GLN 73 1HG GLN 73 -6.525 -8.094 9.293 519 HE21 GLN 73 1HE2 GLN 73 -5.535 -11.374 8.319 520 HE22 GLN 73 2HE2 GLN 73 -5.743 -12.078 9.883 521 H LYS 74 H LYS 74 -7.817 -10.337 4.527 522 HA LYS 74 HA LYS 74 -6.934 -13.054 4.940 523 HB2 LYS 74 2HB LYS 74 -9.289 -11.877 4.096 524 HB3 LYS 74 1HB LYS 74 -8.638 -12.567 2.621 525 HG2 LYS 74 2HG LYS 74 -8.743 -14.741 3.437 526 HG3 LYS 74 1HG LYS 74 -8.817 -14.208 5.118 527 HD2 LYS 74 2HD LYS 74 -11.067 -13.338 4.755 528 HD3 LYS 74 1HD LYS 74 -10.992 -13.818 3.059 529 HE2 LYS 74 2HE LYS 74 -12.068 -15.649 3.844 530 HE3 LYS 74 1HE LYS 74 -10.423 -16.174 4.197 531 HZ1 LYS 74 3HZ LYS 74 -10.667 -15.661 6.445 532 HZ2 LYS 74 1HZ LYS 74 -12.146 -16.372 6.038 533 HZ3 LYS 74 2HZ LYS 74 -12.031 -14.693 6.193 534 H VAL 75 H VAL 75 -6.405 -10.490 2.605 535 HA VAL 75 HA VAL 75 -5.169 -12.238 0.669 536 HB VAL 75 HB VAL 75 -5.181 -9.215 0.709 537 HG11 VAL 75 1HG1 VAL 75 -3.475 -10.282 -0.741 538 HG12 VAL 75 2HG1 VAL 75 -4.678 -9.363 -1.644 539 HG13 VAL 75 3HG1 VAL 75 -4.772 -11.122 -1.592 540 HG21 VAL 75 3HG2 VAL 75 -6.989 -10.719 -1.090 541 HG22 VAL 75 1HG2 VAL 75 -7.221 -9.167 -0.284 542 HG23 VAL 75 2HG2 VAL 75 -7.428 -10.668 0.617 543 H VAL 76 H VAL 76 -4.065 -9.704 2.932 544 HA VAL 76 HA VAL 76 -1.341 -10.753 2.571 545 HB VAL 76 HB VAL 76 -0.553 -8.466 3.350 546 HG11 VAL 76 1HG1 VAL 76 -1.308 -7.512 0.947 547 HG12 VAL 76 2HG1 VAL 76 -1.644 -9.228 0.724 548 HG13 VAL 76 3HG1 VAL 76 -0.025 -8.698 1.175 549 HG21 VAL 76 3HG2 VAL 76 -2.769 -7.708 4.182 550 HG22 VAL 76 1HG2 VAL 76 -3.328 -7.629 2.512 551 HG23 VAL 76 2HG2 VAL 76 -2.017 -6.583 3.055 552 H GLY 77 H GLY 77 -3.663 -9.476 4.920 553 HA2 GLY 77 2HA GLY 77 -3.889 -10.219 7.134 554 HA3 GLY 77 1HA GLY 77 -2.319 -10.997 7.010 555 H SER 78 H SER 78 -3.031 -7.624 6.218 556 HA SER 78 HA SER 78 -1.397 -6.810 8.530 557 HB2 SER 78 2HB SER 78 -1.209 -6.049 5.659 558 HB3 SER 78 1HB SER 78 -0.932 -4.776 6.846 559 HG SER 78 HG SER 78 0.914 -5.660 7.340 560 H ARG 79 H ARG 79 -2.846 -6.033 9.943 561 HA ARG 79 HA ARG 79 -5.081 -4.400 9.017 562 HB2 ARG 79 2HB ARG 79 -5.334 -6.244 10.738 563 HB3 ARG 79 1HB ARG 79 -4.435 -5.227 11.854 564 HG2 ARG 79 2HG ARG 79 -6.304 -3.474 11.155 565 HG3 ARG 79 1HG ARG 79 -7.206 -4.958 10.846 566 HD2 ARG 79 2HD ARG 79 -7.567 -5.238 13.020 567 HD3 ARG 79 1HD ARG 79 -5.836 -5.191 13.345 568 HE ARG 79 HE ARG 79 -7.730 -3.013 13.627 569 HH11 ARG 79 1HH1 ARG 79 -4.358 -3.962 13.505 570 HH12 ARG 79 2HH1 ARG 79 -3.801 -2.546 14.326 571 HH21 ARG 79 1HH2 ARG 79 -6.985 -1.140 14.699 572 HH22 ARG 79 2HH2 ARG 79 -5.293 -0.942 15.003 573 H ASN 80 H ASN 80 -2.532 -3.240 8.649 574 HA ASN 80 HA ASN 80 -2.698 -0.966 10.516 575 HB2 ASN 80 2HB ASN 80 -0.714 -2.460 10.969 576 HB3 ASN 80 1HB ASN 80 -0.118 -2.044 9.366 577 HD21 ASN 80 1HD2 ASN 80 -0.510 -1.015 12.622 578 HD22 ASN 80 2HD2 ASN 80 0.325 0.489 12.474 579 H LEU 81 H LEU 81 -2.783 0.997 9.574 580 HA LEU 81 HA LEU 81 -2.377 1.135 6.659 581 HB2 LEU 81 2HB LEU 81 -4.303 2.473 8.510 582 HB3 LEU 81 1HB LEU 81 -3.800 3.329 7.065 583 HG LEU 81 HG LEU 81 -5.026 0.573 7.027 584 HD11 LEU 81 1HD1 LEU 81 -6.732 1.947 7.865 585 HD12 LEU 81 2HD1 LEU 81 -7.029 1.863 6.128 586 HD13 LEU 81 3HD1 LEU 81 -6.273 3.296 6.824 587 HD21 LEU 81 3HD2 LEU 81 -3.833 0.855 5.039 588 HD22 LEU 81 1HD2 LEU 81 -4.242 2.568 4.927 589 HD23 LEU 81 2HD2 LEU 81 -5.473 1.345 4.619 590 HA PRO 82 HA PRO 82 -2.196 2.640 5.119 591 HB2 PRO 82 2HB PRO 82 -0.220 3.360 3.463 592 HB3 PRO 82 1HB PRO 82 -1.255 4.564 4.243 593 HG2 PRO 82 2HG PRO 82 1.502 3.665 4.994 594 HG3 PRO 82 1HG PRO 82 0.844 5.310 4.923 595 HD2 PRO 82 2HD PRO 82 1.083 3.866 7.240 596 HD3 PRO 82 1HD PRO 82 -0.127 5.139 6.994 597 H THR 83 H THR 83 -1.202 1.399 3.104 598 HA THR 83 HA THR 83 0.764 -0.603 3.882 599 HB THR 83 HB THR 83 -1.153 -2.216 2.739 600 HG1 THR 83 1HG THR 83 -2.718 -0.547 2.983 601 HG21 THR 83 3HG2 THR 83 -1.653 -2.373 5.489 602 HG22 THR 83 1HG2 THR 83 0.048 -1.946 5.316 603 HG23 THR 83 2HG2 THR 83 -0.585 -3.386 4.520 604 H ILE 84 H ILE 84 2.099 -0.989 2.219 605 HA ILE 84 HA ILE 84 1.233 -0.210 -0.483 606 HB ILE 84 HB ILE 84 4.066 -0.718 0.427 607 HG12 ILE 84 2HG1 ILE 84 3.587 2.054 -0.050 608 HG13 ILE 84 1HG1 ILE 84 2.372 1.488 1.093 609 HG21 ILE 84 1HG2 ILE 84 2.879 0.567 -2.024 610 HG22 ILE 84 2HG2 ILE 84 3.848 -0.905 -1.934 611 HG23 ILE 84 3HG2 ILE 84 4.589 0.661 -1.596 612 HD11 ILE 84 3HD1 ILE 84 4.804 2.359 1.805 613 HD12 ILE 84 1HD1 ILE 84 5.139 0.637 1.630 614 HD13 ILE 84 2HD1 ILE 84 3.878 1.181 2.734 615 H VAL 85 H VAL 85 0.703 -1.792 -1.845 616 HA VAL 85 HA VAL 85 1.931 -4.447 -1.479 617 HB VAL 85 HB VAL 85 -0.064 -5.309 -2.796 618 HG11 VAL 85 1HG1 VAL 85 -0.296 -5.979 -0.659 619 HG12 VAL 85 2HG1 VAL 85 -1.599 -4.792 -0.644 620 HG13 VAL 85 3HG1 VAL 85 -0.012 -4.366 -0.006 621 HG21 VAL 85 3HG2 VAL 85 -0.854 -3.207 -3.719 622 HG22 VAL 85 1HG2 VAL 85 -1.171 -2.589 -2.097 623 HG23 VAL 85 2HG2 VAL 85 -2.109 -3.945 -2.724 624 H VAL 86 H VAL 86 3.398 -4.952 -2.955 625 HA VAL 86 HA VAL 86 3.114 -3.862 -5.685 626 HB VAL 86 HB VAL 86 5.723 -4.571 -4.340 627 HG11 VAL 86 1HG1 VAL 86 6.766 -3.442 -6.187 628 HG12 VAL 86 2HG1 VAL 86 5.199 -2.953 -6.831 629 HG13 VAL 86 3HG1 VAL 86 5.657 -4.656 -6.822 630 HG21 VAL 86 3HG2 VAL 86 6.010 -2.017 -4.357 631 HG22 VAL 86 1HG2 VAL 86 5.004 -2.732 -3.099 632 HG23 VAL 86 2HG2 VAL 86 4.253 -1.961 -4.497 633 H ASN 87 H ASN 87 3.313 -5.249 -7.387 634 HA ASN 87 HA ASN 87 3.312 -7.206 -8.545 635 HB2 ASN 87 2HB ASN 87 5.686 -7.156 -7.195 636 HB3 ASN 87 1HB ASN 87 5.011 -8.684 -6.639 637 HD21 ASN 87 1HD2 ASN 87 6.818 -7.222 -9.003 638 HD22 ASN 87 2HD2 ASN 87 6.703 -8.436 -10.225 639 H GLY 88 H GLY 88 1.293 -6.789 -6.507 640 HA2 GLY 88 2HA GLY 88 -0.469 -7.947 -5.600 641 HA3 GLY 88 1HA GLY 88 0.108 -9.350 -6.479 642 H LYS 89 H LYS 89 1.647 -7.460 -3.900 643 HA LYS 89 HA LYS 89 1.166 -9.274 -1.825 644 HB2 LYS 89 2HB LYS 89 3.564 -10.132 -1.630 645 HB3 LYS 89 1HB LYS 89 2.548 -10.880 -2.852 646 HG2 LYS 89 2HG LYS 89 3.596 -9.315 -4.523 647 HG3 LYS 89 1HG LYS 89 4.743 -8.867 -3.260 648 HD2 LYS 89 2HD LYS 89 5.138 -11.419 -3.060 649 HD3 LYS 89 1HD LYS 89 4.390 -11.493 -4.657 650 HE2 LYS 89 2HE LYS 89 6.089 -10.246 -5.647 651 HE3 LYS 89 1HE LYS 89 6.630 -9.586 -4.105 652 HZ1 LYS 89 3HZ LYS 89 7.085 -12.158 -3.681 653 HZ2 LYS 89 1HZ LYS 89 8.231 -11.135 -4.389 654 HZ3 LYS 89 2HZ LYS 89 7.275 -12.132 -5.362 655 H PHE 90 H PHE 90 1.694 -8.392 0.077 656 HA PHE 90 HA PHE 90 2.423 -5.696 0.275 657 HB2 PHE 90 2HB PHE 90 1.147 -7.103 1.969 658 HB3 PHE 90 1HB PHE 90 2.706 -7.722 2.500 659 HD1 PHE 90 1HD PHE 90 0.996 -4.468 1.870 660 HD2 PHE 90 2HD PHE 90 3.740 -6.675 4.257 661 HE1 PHE 90 1HE PHE 90 1.239 -2.540 3.372 662 HE2 PHE 90 2HE PHE 90 3.985 -4.749 5.764 663 HZ PHE 90 HZ PHE 90 2.730 -2.676 5.322 664 H TRP 91 H TRP 91 4.326 -4.894 -0.308 665 HA TRP 91 HA TRP 91 6.762 -6.343 0.491 666 HB2 TRP 91 2HB TRP 91 5.967 -5.277 -2.030 667 HB3 TRP 91 1HB TRP 91 7.373 -4.376 -1.470 668 HD1 TRP 91 HD TRP 91 6.338 -7.748 -2.829 669 HE1 TRP 91 1HE TRP 91 8.434 -9.194 -3.205 670 HE3 TRP 91 3HE TRP 91 9.797 -4.806 -0.473 671 HZ2 TRP 91 2HZ TRP 91 11.184 -9.104 -2.589 672 HZ3 TRP 91 3HZ TRP 91 12.138 -5.562 -0.412 673 HH2 TRP 91 HH TRP 91 12.816 -7.668 -1.447 674 H GLY 92 H GLY 92 5.029 -3.341 0.816 675 HA2 GLY 92 2HA GLY 92 7.250 -2.349 2.476 676 HA3 GLY 92 1HA GLY 92 6.545 -1.292 1.269 677 H THR 93 H THR 93 6.704 -1.363 4.319 678 HA THR 93 HA THR 93 3.839 -0.871 4.808 679 HB THR 93 HB THR 93 4.622 -2.839 6.042 680 HG1 THR 93 1HG THR 93 3.228 -2.070 7.397 681 HG21 THR 93 3HG2 THR 93 6.272 -1.445 7.971 682 HG22 THR 93 1HG2 THR 93 7.005 -1.538 6.371 683 HG23 THR 93 2HG2 THR 93 6.502 -3.011 7.196 684 H GLU 94 H GLU 94 3.956 0.441 7.217 685 HA GLU 94 HA GLU 94 4.974 3.015 6.399 686 HB2 GLU 94 2HB GLU 94 3.873 3.884 8.404 687 HB3 GLU 94 1HB GLU 94 2.785 2.877 7.464 688 HG2 GLU 94 2HG GLU 94 2.313 2.123 9.553 689 HG3 GLU 94 1HG GLU 94 3.601 1.006 9.122 690 H SER 95 H SER 95 5.867 0.547 8.744 691 HA SER 95 HA SER 95 7.806 2.243 10.048 692 HB2 SER 95 2HB SER 95 6.754 -0.482 10.451 693 HB3 SER 95 1HB SER 95 8.455 -0.282 10.871 694 HG SER 95 HG SER 95 6.190 1.012 11.944 695 H GLN 96 H GLN 96 7.813 -0.085 7.436 696 HA GLN 96 HA GLN 96 10.582 -0.619 7.375 697 HB2 GLN 96 2HB GLN 96 8.852 -1.963 6.198 698 HB3 GLN 96 1HB GLN 96 8.648 -0.643 5.052 699 HG2 GLN 96 2HG GLN 96 11.098 -0.886 4.521 700 HG3 GLN 96 1HG GLN 96 11.071 -2.368 5.474 701 HE21 GLN 96 1HE2 GLN 96 9.959 -0.803 2.566 702 HE22 GLN 96 2HE2 GLN 96 9.474 -2.242 1.742 703 H LEU 97 H LEU 97 8.672 2.052 6.136 704 HA LEU 97 HA LEU 97 10.433 3.088 4.237 705 HB2 LEU 97 2HB LEU 97 8.704 4.733 6.085 706 HB3 LEU 97 1HB LEU 97 9.305 5.201 4.506 707 HG LEU 97 HG LEU 97 7.389 2.919 4.942 708 HD11 LEU 97 1HD1 LEU 97 5.871 4.771 3.766 709 HD12 LEU 97 2HD1 LEU 97 6.927 5.827 4.704 710 HD13 LEU 97 3HD1 LEU 97 5.973 4.585 5.516 711 HD21 LEU 97 3HD2 LEU 97 7.150 2.840 2.625 712 HD22 LEU 97 1HD2 LEU 97 8.882 3.084 2.849 713 HD23 LEU 97 2HD2 LEU 97 7.851 4.442 2.401 714 H HIS 98 H HIS 98 10.120 4.159 7.635 715 HA HIS 98 HA HIS 98 12.408 5.797 7.610 716 HB2 HIS 98 2HB HIS 98 10.495 5.770 9.310 717 HB3 HIS 98 1HB HIS 98 11.331 4.424 10.072 718 HD1 HIS 98 1HD HIS 98 13.641 6.960 8.764 719 HD2 HIS 98 2HD HIS 98 11.547 6.286 12.291 720 HE1 HIS 98 1HE HIS 98 14.719 8.447 10.482 721 HE2 HIS 98 2HE HIS 98 13.383 8.080 12.588 722 H ARG 99 H ARG 99 11.990 2.376 8.415 723 HA ARG 99 HA ARG 99 14.597 1.975 9.448 724 HB2 ARG 99 2HB ARG 99 12.402 0.192 8.495 725 HB3 ARG 99 1HB ARG 99 14.008 -0.492 8.688 726 HG2 ARG 99 2HG ARG 99 13.414 1.014 11.020 727 HG3 ARG 99 1HG ARG 99 12.032 -0.023 10.660 728 HD2 ARG 99 2HD ARG 99 13.470 -1.972 10.596 729 HD3 ARG 99 1HD ARG 99 14.895 -0.963 10.838 730 HE ARG 99 HE ARG 99 14.424 -0.887 13.077 731 HH11 ARG 99 1HH1 ARG 99 11.588 -2.075 11.385 732 HH12 ARG 99 2HH1 ARG 99 10.754 -2.513 12.836 733 HH21 ARG 99 1HH2 ARG 99 13.315 -1.468 14.986 734 HH22 ARG 99 2HH2 ARG 99 11.735 -2.168 14.881 735 H PHE 100 H PHE 100 13.222 1.650 6.211 736 HA PHE 100 HA PHE 100 15.634 0.606 5.060 737 HB2 PHE 100 2HB PHE 100 12.955 1.402 4.032 738 HB3 PHE 100 1HB PHE 100 14.289 1.371 2.887 739 HD1 PHE 100 2HD PHE 100 13.735 -0.896 5.777 740 HD2 PHE 100 1HD PHE 100 13.757 -0.457 1.541 741 HE1 PHE 100 2HE PHE 100 13.490 -3.330 5.526 742 HE2 PHE 100 1HE PHE 100 13.511 -2.891 1.286 743 HZ PHE 100 HZ PHE 100 13.379 -4.330 3.278 744 H GLU 101 H GLU 101 14.154 3.793 5.344 745 HA GLU 101 HA GLU 101 15.758 5.171 3.498 746 HB2 GLU 101 2HB GLU 101 13.667 5.885 5.022 747 HB3 GLU 101 1HB GLU 101 14.961 6.591 5.981 748 HG2 GLU 101 2HG GLU 101 15.601 8.039 4.271 749 HG3 GLU 101 1HG GLU 101 14.758 7.105 3.039 750 H ALA 102 H ALA 102 16.240 4.484 6.934 751 HA ALA 102 HA ALA 102 18.612 5.983 7.255 752 HB1 ALA 102 1HB ALA 102 17.466 5.407 9.226 753 HB2 ALA 102 2HB ALA 102 18.950 4.458 9.262 754 HB3 ALA 102 3HB ALA 102 17.428 3.696 8.804 755 H LYS 103 H LYS 103 18.106 2.499 6.657 756 HA LYS 103 HA LYS 103 20.875 1.888 6.498 757 HB2 LYS 103 2HB LYS 103 18.431 0.388 5.556 758 HB3 LYS 103 1HB LYS 103 20.060 -0.264 5.530 759 HG2 LYS 103 2HG LYS 103 20.190 -0.008 7.968 760 HG3 LYS 103 1HG LYS 103 18.533 0.596 7.974 761 HD2 LYS 103 2HD LYS 103 18.871 -1.949 6.566 762 HD3 LYS 103 1HD LYS 103 19.263 -2.022 8.285 763 HE2 LYS 103 2HE LYS 103 17.015 -0.726 8.559 764 HE3 LYS 103 1HE LYS 103 16.670 -1.363 6.952 765 HZ1 LYS 103 3HZ LYS 103 17.643 -3.263 8.938 766 HZ2 LYS 103 1HZ LYS 103 16.482 -3.463 7.723 767 HZ3 LYS 103 2HZ LYS 103 16.075 -2.673 9.160 768 H GLY 104 H GLY 104 18.542 3.042 4.171 769 HA2 GLY 104 2HA GLY 104 19.121 4.027 2.107 770 HA3 GLY 104 1HA GLY 104 20.658 3.178 2.156 771 H THR 105 H THR 105 17.752 1.402 2.827 772 HA THR 105 HA THR 105 18.161 -0.166 0.407 773 HB THR 105 HB THR 105 16.156 -1.458 1.650 774 HG1 THR 105 1HG THR 105 16.284 -1.217 3.830 775 HG21 THR 105 3HG2 THR 105 19.076 -1.591 2.327 776 HG22 THR 105 1HG2 THR 105 18.175 -2.597 1.192 777 HG23 THR 105 2HG2 THR 105 17.886 -2.745 2.925 778 H LEU 106 H LEU 106 15.999 2.258 1.593 779 HA LEU 106 HA LEU 106 13.645 1.645 0.224 780 HB2 LEU 106 2HB LEU 106 14.330 3.599 1.901 781 HB3 LEU 106 1HB LEU 106 14.498 4.492 0.401 782 HG LEU 106 HG LEU 106 12.074 3.546 -0.059 783 HD11 LEU 106 1HD1 LEU 106 10.954 3.779 2.343 784 HD12 LEU 106 2HD1 LEU 106 12.502 3.095 2.836 785 HD13 LEU 106 3HD1 LEU 106 11.479 2.230 1.689 786 HD21 LEU 106 3HD2 LEU 106 12.124 5.811 -0.080 787 HD22 LEU 106 1HD2 LEU 106 13.032 5.920 1.428 788 HD23 LEU 106 2HD2 LEU 106 11.299 5.598 1.463 789 H GLU 107 H GLU 107 16.345 3.733 -0.839 790 HA GLU 107 HA GLU 107 15.352 4.265 -3.414 791 HB2 GLU 107 2HB GLU 107 17.255 5.438 -2.199 792 HB3 GLU 107 1HB GLU 107 18.276 4.093 -2.689 793 HG2 GLU 107 2HG GLU 107 18.316 4.732 -4.871 794 HG3 GLU 107 1HG GLU 107 16.725 5.485 -4.799 795 H GLU 108 H GLU 108 17.317 1.613 -2.160 796 HA GLU 108 HA GLU 108 18.060 0.458 -4.614 797 HB2 GLU 108 2HB GLU 108 18.779 -0.040 -2.115 798 HB3 GLU 108 1HB GLU 108 17.520 -1.263 -2.234 799 HG2 GLU 108 2HG GLU 108 19.676 -1.071 -4.300 800 HG3 GLU 108 1HG GLU 108 19.945 -1.913 -2.776 801 H GLU 109 H GLU 109 15.218 -0.011 -2.550 802 HA GLU 109 HA GLU 109 14.063 -2.152 -3.951 803 HB2 GLU 109 2HB GLU 109 13.427 -0.790 -1.684 804 HB3 GLU 109 1HB GLU 109 12.191 -0.192 -2.783 805 HG2 GLU 109 2HG GLU 109 11.878 -2.740 -3.319 806 HG3 GLU 109 1HG GLU 109 12.636 -2.943 -1.741 807 H LEU 110 H LEU 110 13.731 1.357 -4.375 808 HA LEU 110 HA LEU 110 11.739 1.245 -6.386 809 HB2 LEU 110 2HB LEU 110 13.633 3.325 -5.390 810 HB3 LEU 110 1HB LEU 110 12.847 3.593 -6.932 811 HG LEU 110 HG LEU 110 11.691 4.676 -5.021 812 HD11 LEU 110 1HD1 LEU 110 10.416 2.746 -6.859 813 HD12 LEU 110 2HD1 LEU 110 10.192 4.487 -6.701 814 HD13 LEU 110 3HD1 LEU 110 9.421 3.390 -5.556 815 HD21 LEU 110 3HD2 LEU 110 10.687 3.502 -3.297 816 HD22 LEU 110 1HD2 LEU 110 12.223 2.660 -3.490 817 HD23 LEU 110 2HD2 LEU 110 10.748 1.968 -4.166 818 H THR 111 H THR 111 15.262 1.173 -6.492 819 HA THR 111 HA THR 111 15.450 1.462 -9.327 820 HB THR 111 HB THR 111 17.509 0.267 -7.460 821 HG1 THR 111 1HG THR 111 17.230 2.228 -6.617 822 HG21 THR 111 3HG2 THR 111 18.422 -0.071 -9.529 823 HG22 THR 111 1HG2 THR 111 19.001 1.556 -9.173 824 HG23 THR 111 2HG2 THR 111 17.614 1.327 -10.238 825 H LYS 112 H LYS 112 15.285 -1.283 -7.109 826 HA LYS 112 HA LYS 112 15.923 -3.317 -8.945 827 HB2 LYS 112 2HB LYS 112 15.581 -3.335 -6.321 828 HB3 LYS 112 1HB LYS 112 13.951 -3.827 -6.759 829 HG2 LYS 112 2HG LYS 112 15.864 -5.367 -8.240 830 HG3 LYS 112 1HG LYS 112 16.233 -5.434 -6.517 831 HD2 LYS 112 2HD LYS 112 14.735 -7.145 -6.617 832 HD3 LYS 112 1HD LYS 112 13.605 -5.813 -6.365 833 HE2 LYS 112 2HE LYS 112 13.590 -5.690 -8.964 834 HE3 LYS 112 1HE LYS 112 14.221 -7.331 -8.870 835 HZ1 LYS 112 3HZ LYS 112 11.637 -6.786 -8.924 836 HZ2 LYS 112 1HZ LYS 112 11.870 -6.742 -7.248 837 HZ3 LYS 112 2HZ LYS 112 12.263 -8.136 -8.121 838 H ILE 113 H ILE 113 12.764 -1.985 -7.963 839 HA ILE 113 HA ILE 113 11.246 -3.686 -9.661 840 HB ILE 113 HB ILE 113 9.358 -2.165 -9.241 841 HG12 ILE 113 2HG1 ILE 113 11.379 -0.506 -7.713 842 HG13 ILE 113 1HG1 ILE 113 10.612 -0.040 -9.226 843 HG21 ILE 113 1HG2 ILE 113 9.008 -2.964 -7.153 844 HG22 ILE 113 2HG2 ILE 113 10.577 -2.421 -6.560 845 HG23 ILE 113 3HG2 ILE 113 10.462 -3.890 -7.528 846 HD11 ILE 113 3HD1 ILE 113 9.746 0.720 -6.806 847 HD12 ILE 113 1HD1 ILE 113 8.785 -0.740 -7.030 848 HD13 ILE 113 2HD1 ILE 113 8.698 0.562 -8.215 849 H GLY 114 H GLY 114 12.944 -0.707 -10.215 850 HA2 GLY 114 2HA GLY 114 13.509 0.028 -12.398 851 HA3 GLY 114 1HA GLY 114 12.081 -0.787 -13.015 852 H LEU 115 H LEU 115 11.890 1.248 -10.175 853 HA LEU 115 HA LEU 115 10.115 3.052 -11.630 854 HB2 LEU 115 2HB LEU 115 9.985 1.949 -9.119 855 HB3 LEU 115 1HB LEU 115 10.569 3.565 -8.777 856 HG LEU 115 HG LEU 115 8.624 4.535 -9.889 857 HD11 LEU 115 1HD1 LEU 115 7.856 3.221 -11.571 858 HD12 LEU 115 2HD1 LEU 115 6.752 2.680 -10.306 859 HD13 LEU 115 3HD1 LEU 115 8.179 1.722 -10.701 860 HD21 LEU 115 3HD2 LEU 115 6.864 3.249 -8.346 861 HD22 LEU 115 1HD2 LEU 115 8.057 4.373 -7.701 862 HD23 LEU 115 2HD2 LEU 115 8.356 2.637 -7.636 863 H LEU 116 H LEU 116 13.128 3.126 -9.771 864 HA LEU 116 HA LEU 116 13.501 5.925 -9.837 865 HB2 LEU 116 2HB LEU 116 14.675 4.232 -8.345 866 HB3 LEU 116 1HB LEU 116 15.708 3.878 -9.716 867 HG LEU 116 HG LEU 116 16.094 6.500 -9.672 868 HD11 LEU 116 1HD1 LEU 116 15.961 6.180 -6.744 869 HD12 LEU 116 2HD1 LEU 116 14.419 6.386 -7.575 870 HD13 LEU 116 3HD1 LEU 116 15.683 7.603 -7.751 871 HD21 LEU 116 3HD2 LEU 116 18.130 6.122 -8.536 872 HD22 LEU 116 1HD2 LEU 116 17.744 4.609 -9.356 873 HD23 LEU 116 2HD2 LEU 116 17.459 4.771 -7.623 874 HA PRO 117 HA PRO 117 16.444 4.773 -13.698 875 HB2 PRO 117 2HB PRO 117 14.541 2.761 -14.807 876 HB3 PRO 117 1HB PRO 117 16.303 2.821 -14.913 877 HG2 PRO 117 2HG PRO 117 15.104 1.132 -13.248 878 HG3 PRO 117 1HG PRO 117 16.594 1.969 -12.778 879 HD2 PRO 117 2HD PRO 117 13.783 2.481 -11.931 880 HD3 PRO 117 1HD PRO 117 15.291 2.651 -11.009 Start of MODEL 9 1 H MET 9 1HT MET 9 -15.030 -15.143 0.934 2 HA MET 9 HA MET 9 -17.916 -15.294 0.478 3 HB2 MET 9 2HB MET 9 -15.808 -13.167 0.675 4 HB3 MET 9 1HB MET 9 -17.298 -12.845 -0.201 5 HG2 MET 9 2HG MET 9 -18.330 -13.820 2.066 6 HG3 MET 9 1HG MET 9 -16.823 -13.158 2.694 7 HE1 MET 9 2HE MET 9 -17.939 -9.825 3.602 8 HE2 MET 9 3HE MET 9 -16.409 -10.383 2.927 9 HE3 MET 9 1HE MET 9 -17.297 -11.400 4.063 10 H SER 10 H SER 10 -14.783 -15.088 -1.116 11 HA SER 10 HA SER 10 -14.143 -15.546 -3.239 12 HB2 SER 10 2HB SER 10 -16.285 -17.140 -3.052 13 HB3 SER 10 1HB SER 10 -16.883 -16.019 -4.274 14 HG SER 10 HG SER 10 -14.445 -17.469 -4.410 15 H ALA 11 H ALA 11 -17.346 -13.919 -3.396 16 HA ALA 11 HA ALA 11 -16.904 -12.416 -5.671 17 HB1 ALA 11 1HB ALA 11 -18.508 -11.709 -3.223 18 HB2 ALA 11 2HB ALA 11 -19.083 -12.497 -4.692 19 HB3 ALA 11 3HB ALA 11 -18.567 -10.811 -4.740 20 H PHE 12 H PHE 12 -15.877 -11.761 -2.369 21 HA PHE 12 HA PHE 12 -14.719 -9.203 -3.121 22 HB2 PHE 12 2HB PHE 12 -15.806 -10.095 -0.785 23 HB3 PHE 12 1HB PHE 12 -14.089 -10.325 -0.465 24 HD1 PHE 12 2HD PHE 12 -12.641 -8.178 -1.356 25 HD2 PHE 12 1HD PHE 12 -16.683 -8.134 -0.026 26 HE1 PHE 12 2HE PHE 12 -12.428 -5.792 -0.797 27 HE2 PHE 12 1HE PHE 12 -16.476 -5.747 0.533 28 HZ PHE 12 HZ PHE 12 -14.347 -4.576 0.150 29 H VAL 13 H VAL 13 -13.697 -12.484 -2.347 30 HA VAL 13 HA VAL 13 -10.935 -11.993 -2.091 31 HB VAL 13 HB VAL 13 -12.226 -14.544 -3.087 32 HG11 VAL 13 1HG1 VAL 13 -9.585 -13.942 -3.055 33 HG12 VAL 13 2HG1 VAL 13 -10.230 -15.570 -2.857 34 HG13 VAL 13 3HG1 VAL 13 -9.786 -14.620 -1.439 35 HG21 VAL 13 3HG2 VAL 13 -11.575 -13.757 -0.245 36 HG22 VAL 13 1HG2 VAL 13 -12.297 -15.274 -0.783 37 HG23 VAL 13 2HG2 VAL 13 -13.194 -13.765 -0.944 38 H THR 14 H THR 14 -12.872 -12.997 -4.916 39 HA THR 14 HA THR 14 -10.682 -13.079 -6.714 40 HB THR 14 HB THR 14 -13.560 -12.585 -7.481 41 HG1 THR 14 1HG THR 14 -13.952 -14.703 -7.245 42 HG21 THR 14 3HG2 THR 14 -11.886 -14.453 -9.002 43 HG22 THR 14 1HG2 THR 14 -11.422 -12.754 -9.108 44 HG23 THR 14 2HG2 THR 14 -13.054 -13.251 -9.555 45 H LYS 15 H LYS 15 -13.147 -10.581 -6.066 46 HA LYS 15 HA LYS 15 -12.322 -8.736 -7.993 47 HB2 LYS 15 2HB LYS 15 -13.786 -8.477 -5.393 48 HB3 LYS 15 1HB LYS 15 -13.305 -7.031 -6.271 49 HG2 LYS 15 2HG LYS 15 -14.588 -7.707 -8.191 50 HG3 LYS 15 1HG LYS 15 -14.976 -9.251 -7.430 51 HD2 LYS 15 2HD LYS 15 -15.850 -7.534 -5.534 52 HD3 LYS 15 1HD LYS 15 -16.130 -6.575 -6.991 53 HE2 LYS 15 2HE LYS 15 -17.652 -8.080 -7.851 54 HE3 LYS 15 1HE LYS 15 -16.993 -9.430 -6.929 55 HZ1 LYS 15 3HZ LYS 15 -17.990 -8.593 -4.949 56 HZ2 LYS 15 1HZ LYS 15 -19.188 -8.644 -6.143 57 HZ3 LYS 15 2HZ LYS 15 -18.482 -7.169 -5.715 58 H ALA 16 H ALA 16 -11.151 -9.290 -4.712 59 HA ALA 16 HA ALA 16 -9.486 -7.018 -4.518 60 HB1 ALA 16 1HB ALA 16 -9.726 -7.932 -2.454 61 HB2 ALA 16 2HB ALA 16 -8.215 -8.720 -2.898 62 HB3 ALA 16 3HB ALA 16 -9.741 -9.587 -3.065 63 H GLU 17 H GLU 17 -8.825 -10.353 -5.565 64 HA GLU 17 HA GLU 17 -6.074 -9.941 -6.106 65 HB2 GLU 17 2HB GLU 17 -8.063 -12.056 -6.842 66 HB3 GLU 17 1HB GLU 17 -6.480 -12.042 -7.610 67 HG2 GLU 17 2HG GLU 17 -6.442 -11.795 -4.687 68 HG3 GLU 17 1HG GLU 17 -7.058 -13.326 -5.306 69 H GLU 18 H GLU 18 -8.991 -9.683 -8.089 70 HA GLU 18 HA GLU 18 -7.733 -9.401 -10.587 71 HB2 GLU 18 2HB GLU 18 -10.409 -8.651 -9.484 72 HB3 GLU 18 1HB GLU 18 -9.934 -8.020 -11.055 73 HG2 GLU 18 2HG GLU 18 -9.775 -10.173 -11.990 74 HG3 GLU 18 1HG GLU 18 -9.826 -10.947 -10.407 75 H MET 19 H MET 19 -8.514 -7.035 -8.076 76 HA MET 19 HA MET 19 -7.892 -4.727 -9.586 77 HB2 MET 19 2HB MET 19 -9.121 -5.011 -7.279 78 HB3 MET 19 1HB MET 19 -7.502 -4.802 -6.621 79 HG2 MET 19 2HG MET 19 -7.972 -2.627 -6.668 80 HG3 MET 19 1HG MET 19 -7.641 -2.742 -8.393 81 HE1 MET 19 3HE MET 19 -9.582 -1.099 -9.785 82 HE2 MET 19 1HE MET 19 -10.791 -2.324 -10.174 83 HE3 MET 19 2HE MET 19 -9.080 -2.750 -10.150 84 H ILE 20 H ILE 20 -5.946 -6.633 -7.279 85 HA ILE 20 HA ILE 20 -3.614 -5.032 -7.625 86 HB ILE 20 HB ILE 20 -2.463 -6.823 -6.382 87 HG12 ILE 20 2HG1 ILE 20 -5.163 -8.167 -6.243 88 HG13 ILE 20 1HG1 ILE 20 -3.853 -8.708 -7.284 89 HG21 ILE 20 1HG2 ILE 20 -3.243 -6.091 -4.389 90 HG22 ILE 20 2HG2 ILE 20 -4.928 -6.390 -4.816 91 HG23 ILE 20 3HG2 ILE 20 -4.105 -4.955 -5.428 92 HD11 ILE 20 3HD1 ILE 20 -3.063 -8.402 -4.499 93 HD12 ILE 20 1HD1 ILE 20 -2.821 -9.750 -5.609 94 HD13 ILE 20 2HD1 ILE 20 -4.349 -9.583 -4.746 95 H LYS 21 H LYS 21 -5.047 -7.494 -9.497 96 HA LYS 21 HA LYS 21 -2.810 -8.810 -10.551 97 HB2 LYS 21 2HB LYS 21 -5.449 -9.144 -10.833 98 HB3 LYS 21 1HB LYS 21 -5.132 -8.276 -12.330 99 HG2 LYS 21 2HG LYS 21 -3.882 -9.979 -13.216 100 HG3 LYS 21 1HG LYS 21 -3.415 -10.608 -11.634 101 HD2 LYS 21 2HD LYS 21 -5.007 -12.145 -11.851 102 HD3 LYS 21 1HD LYS 21 -6.202 -10.851 -11.743 103 HE2 LYS 21 2HE LYS 21 -6.677 -10.945 -13.938 104 HE3 LYS 21 1HE LYS 21 -4.986 -11.142 -14.392 105 HZ1 LYS 21 3HZ LYS 21 -6.297 -13.417 -13.106 106 HZ2 LYS 21 1HZ LYS 21 -5.134 -13.389 -14.335 107 HZ3 LYS 21 2HZ LYS 21 -6.754 -13.062 -14.696 108 H SER 22 H SER 22 -4.724 -6.205 -12.082 109 HA SER 22 HA SER 22 -2.573 -5.630 -13.932 110 HB2 SER 22 2HB SER 22 -4.964 -5.558 -14.639 111 HB3 SER 22 1HB SER 22 -5.203 -4.175 -13.573 112 HG SER 22 HG SER 22 -3.778 -2.990 -14.830 113 H HIS 23 H HIS 23 -3.634 -4.521 -10.860 114 HA HIS 23 HA HIS 23 -1.807 -2.225 -11.078 115 HB2 HIS 23 2HB HIS 23 -4.346 -2.418 -9.444 116 HB3 HIS 23 1HB HIS 23 -3.206 -1.079 -9.376 117 HD1 HIS 23 1HD HIS 23 -2.721 -0.514 -12.309 118 HD2 HIS 23 2HD HIS 23 -6.474 -1.388 -10.754 119 HE1 HIS 23 1HE HIS 23 -4.367 0.459 -13.941 120 HE2 HIS 23 2HE HIS 23 -6.629 0.007 -12.925 121 HA PRO 24 HA PRO 24 -0.330 -5.247 -7.819 122 HB2 PRO 24 2HB PRO 24 2.254 -5.281 -8.669 123 HB3 PRO 24 1HB PRO 24 1.017 -6.377 -9.289 124 HG2 PRO 24 2HG PRO 24 2.068 -3.840 -10.482 125 HG3 PRO 24 1HG PRO 24 1.726 -5.390 -11.272 126 HD2 PRO 24 2HD PRO 24 0.022 -3.305 -11.411 127 HD3 PRO 24 1HD PRO 24 -0.543 -4.987 -11.368 128 H TYR 25 H TYR 25 0.746 -2.132 -9.004 129 HA TYR 25 HA TYR 25 2.279 -1.599 -6.581 130 HB2 TYR 25 2HB TYR 25 2.004 -0.309 -9.254 131 HB3 TYR 25 1HB TYR 25 2.433 0.722 -7.895 132 HD1 TYR 25 2HD TYR 25 3.452 -2.749 -8.873 133 HD2 TYR 25 1HD TYR 25 4.677 1.229 -7.986 134 HE1 TYR 25 2HE TYR 25 5.804 -3.427 -9.105 135 HE2 TYR 25 1HE TYR 25 7.029 0.559 -8.220 136 HH TYR 25 HH TYR 25 8.345 -1.661 -7.988 137 H PHE 26 H PHE 26 0.161 -1.875 -5.387 138 HA PHE 26 HA PHE 26 -1.417 0.610 -5.421 139 HB2 PHE 26 2HB PHE 26 -2.206 -2.103 -5.377 140 HB3 PHE 26 1HB PHE 26 -2.594 -1.446 -3.791 141 HD1 PHE 26 2HD PHE 26 -4.000 0.660 -3.677 142 HD2 PHE 26 1HD PHE 26 -3.552 -1.643 -7.228 143 HE1 PHE 26 2HE PHE 26 -6.030 1.697 -4.604 144 HE2 PHE 26 1HE PHE 26 -5.579 -0.609 -8.159 145 HZ PHE 26 HZ PHE 26 -6.822 1.063 -6.846 146 H GLN 27 H GLN 27 -1.656 1.827 -3.606 147 HA GLN 27 HA GLN 27 -0.301 0.906 -1.161 148 HB2 GLN 27 2HB GLN 27 0.465 3.073 -2.837 149 HB3 GLN 27 1HB GLN 27 -0.152 3.756 -1.340 150 HG2 GLN 27 2HG GLN 27 1.509 2.834 -0.067 151 HG3 GLN 27 1HG GLN 27 1.785 1.508 -1.193 152 HE21 GLN 27 1HE2 GLN 27 3.886 2.906 -0.126 153 HE22 GLN 27 2HE2 GLN 27 4.649 3.843 -1.360 154 H LEU 28 H LEU 28 -2.050 0.456 0.069 155 HA LEU 28 HA LEU 28 -4.375 2.150 0.106 156 HB2 LEU 28 2HB LEU 28 -3.569 -0.419 1.323 157 HB3 LEU 28 1HB LEU 28 -4.714 0.533 2.249 158 HG LEU 28 HG LEU 28 -5.293 0.090 -0.638 159 HD11 LEU 28 1HD1 LEU 28 -5.149 -2.032 1.415 160 HD12 LEU 28 2HD1 LEU 28 -4.963 -2.127 -0.336 161 HD13 LEU 28 3HD1 LEU 28 -6.573 -2.017 0.375 162 HD21 LEU 28 3HD2 LEU 28 -6.878 1.433 0.404 163 HD22 LEU 28 1HD2 LEU 28 -6.843 0.490 1.894 164 HD23 LEU 28 2HD2 LEU 28 -7.614 -0.168 0.453 165 H SER 29 H SER 29 -3.802 4.158 0.828 166 HA SER 29 HA SER 29 -2.556 4.363 3.478 167 HB2 SER 29 2HB SER 29 -2.167 6.747 2.874 168 HB3 SER 29 1HB SER 29 -1.411 5.625 1.745 169 HG SER 29 HG SER 29 -2.922 6.098 0.239 170 H ALA 30 H ALA 30 -3.432 5.844 5.043 171 HA ALA 30 HA ALA 30 -6.355 6.000 4.891 172 HB1 ALA 30 1HB ALA 30 -4.406 5.687 7.076 173 HB2 ALA 30 2HB ALA 30 -6.042 5.050 6.912 174 HB3 ALA 30 3HB ALA 30 -5.793 6.716 7.435 175 H SER 31 H SER 31 -7.488 7.899 5.181 176 HA SER 31 HA SER 31 -5.948 10.347 4.759 177 HB2 SER 31 2HB SER 31 -8.037 9.576 3.372 178 HB3 SER 31 1HB SER 31 -8.948 10.245 4.726 179 HG SER 31 HG SER 31 -7.980 12.235 4.350 180 H TRP 32 H TRP 32 -5.860 9.184 7.360 181 HA TRP 32 HA TRP 32 -6.919 11.418 8.904 182 HB2 TRP 32 2HB TRP 32 -8.128 8.848 8.957 183 HB3 TRP 32 1HB TRP 32 -7.275 9.051 10.484 184 HD1 TRP 32 HD TRP 32 -10.531 9.691 9.012 185 HE1 TRP 32 1HE TRP 32 -11.852 11.438 10.359 186 HE3 TRP 32 3HE TRP 32 -6.722 11.583 11.858 187 HZ2 TRP 32 2HZ TRP 32 -11.353 13.363 12.361 188 HZ3 TRP 32 3HZ TRP 32 -7.232 13.376 13.464 189 HH2 TRP 32 HH TRP 32 -9.500 14.247 13.708 190 H CYS 33 H CYS 33 -5.035 8.384 9.054 191 HA CYS 33 HA CYS 33 -3.507 9.162 11.320 192 HB2 CYS 33 2HB CYS 33 -3.193 7.018 9.232 193 HB3 CYS 33 1HB CYS 33 -1.949 7.285 10.449 194 HG CYS 33 HG CYS 33 -4.626 6.874 11.762 195 HA PRO 34 HA PRO 34 -0.618 11.894 9.341 196 HB2 PRO 34 2HB PRO 34 1.242 12.018 11.298 197 HB3 PRO 34 1HB PRO 34 -0.327 12.820 11.425 198 HG2 PRO 34 2HG PRO 34 0.581 10.230 12.615 199 HG3 PRO 34 1HG PRO 34 -0.397 11.516 13.343 200 HD2 PRO 34 2HD PRO 34 -1.459 9.219 12.330 201 HD3 PRO 34 1HD PRO 34 -2.334 10.760 12.378 202 H ASP 35 H ASP 35 0.446 8.795 10.674 203 HA ASP 35 HA ASP 35 3.045 8.733 9.651 204 HB2 ASP 35 2HB ASP 35 1.089 6.512 10.258 205 HB3 ASP 35 1HB ASP 35 2.737 6.204 9.725 206 H CYS 36 H CYS 36 -0.038 7.965 8.135 207 HA CYS 36 HA CYS 36 0.988 6.755 5.796 208 HB2 CYS 36 2HB CYS 36 -1.597 8.308 5.978 209 HB3 CYS 36 1HB CYS 36 -1.209 6.985 4.883 210 HG CYS 36 HG CYS 36 -1.518 6.452 7.931 211 H VAL 37 H VAL 37 0.467 10.101 6.724 212 HA VAL 37 HA VAL 37 0.609 11.320 4.212 213 HB VAL 37 HB VAL 37 1.697 12.485 6.780 214 HG11 VAL 37 1HG1 VAL 37 2.350 13.881 5.021 215 HG12 VAL 37 2HG1 VAL 37 0.865 14.618 5.621 216 HG13 VAL 37 3HG1 VAL 37 0.836 13.647 4.149 217 HG21 VAL 37 3HG2 VAL 37 -0.513 11.786 7.285 218 HG22 VAL 37 1HG2 VAL 37 -1.125 12.345 5.729 219 HG23 VAL 37 2HG2 VAL 37 -0.611 13.513 6.946 220 H TYR 38 H TYR 38 3.186 10.209 6.371 221 HA TYR 38 HA TYR 38 5.377 11.410 5.117 222 HB2 TYR 38 2HB TYR 38 5.531 10.237 7.277 223 HB3 TYR 38 1HB TYR 38 5.260 8.699 6.462 224 HD1 TYR 38 1HD TYR 38 7.019 7.697 5.077 225 HD2 TYR 38 2HD TYR 38 7.669 11.359 7.145 226 HE1 TYR 38 1HE TYR 38 9.442 7.466 4.717 227 HE2 TYR 38 2HE TYR 38 10.092 11.138 6.790 228 HH TYR 38 HH TYR 38 11.449 8.959 4.609 229 H ALA 39 H ALA 39 3.817 8.275 4.459 230 HA ALA 39 HA ALA 39 5.561 7.410 2.439 231 HB1 ALA 39 1HB ALA 39 2.685 6.702 2.220 232 HB2 ALA 39 2HB ALA 39 3.543 6.219 3.683 233 HB3 ALA 39 3HB ALA 39 4.116 5.680 2.106 234 H ASN 40 H ASN 40 2.811 9.601 2.338 235 HA ASN 40 HA ASN 40 2.647 9.689 -0.516 236 HB2 ASN 40 2HB ASN 40 1.405 11.209 1.741 237 HB3 ASN 40 1HB ASN 40 1.336 11.890 0.119 238 HD21 ASN 40 1HD2 ASN 40 0.615 8.974 1.976 239 HD22 ASN 40 2HD2 ASN 40 -0.731 8.480 1.013 240 H SER 41 H SER 41 4.325 11.499 1.980 241 HA SER 41 HA SER 41 5.076 13.736 0.495 242 HB2 SER 41 2HB SER 41 6.198 12.354 2.899 243 HB3 SER 41 1HB SER 41 7.145 13.628 2.129 244 HG SER 41 HG SER 41 5.379 15.032 2.430 245 H ILE 42 H ILE 42 6.606 10.559 0.813 246 HA ILE 42 HA ILE 42 8.888 11.208 -0.766 247 HB ILE 42 HB ILE 42 7.780 8.442 -0.301 248 HG12 ILE 42 2HG1 ILE 42 8.006 9.641 1.855 249 HG13 ILE 42 1HG1 ILE 42 9.165 8.326 1.710 250 HG21 ILE 42 1HG2 ILE 42 9.833 9.213 -1.889 251 HG22 ILE 42 2HG2 ILE 42 9.721 7.639 -1.105 252 HG23 ILE 42 3HG2 ILE 42 10.679 8.923 -0.371 253 HD11 ILE 42 3HD1 ILE 42 9.827 11.204 1.147 254 HD12 ILE 42 1HD1 ILE 42 10.945 9.848 1.282 255 HD13 ILE 42 2HD1 ILE 42 10.073 10.416 2.704 256 H TRP 43 H TRP 43 5.719 9.807 -1.468 257 HA TRP 43 HA TRP 43 6.238 8.965 -4.105 258 HB2 TRP 43 2HB TRP 43 4.259 8.061 -3.480 259 HB3 TRP 43 1HB TRP 43 3.876 9.389 -2.399 260 HD1 TRP 43 HD TRP 43 3.777 8.649 -6.213 261 HE1 TRP 43 1HE TRP 43 1.713 9.835 -7.186 262 HE3 TRP 43 3HE TRP 43 2.145 11.059 -2.007 263 HZ2 TRP 43 2HZ TRP 43 -0.334 11.561 -6.301 264 HZ3 TRP 43 3HZ TRP 43 0.128 12.456 -2.157 265 HH2 TRP 43 HH TRP 43 -1.085 12.701 -4.261 266 H ASN 44 H ASN 44 5.356 12.091 -2.767 267 HA ASN 44 HA ASN 44 4.877 13.296 -5.341 268 HB2 ASN 44 2HB ASN 44 3.824 13.952 -3.080 269 HB3 ASN 44 1HB ASN 44 5.330 14.816 -2.786 270 HD21 ASN 44 1HD2 ASN 44 2.890 14.423 -5.335 271 HD22 ASN 44 2HD2 ASN 44 2.843 16.091 -5.782 272 H LYS 45 H LYS 45 7.602 13.054 -3.124 273 HA LYS 45 HA LYS 45 9.132 15.071 -4.518 274 HB2 LYS 45 2HB LYS 45 9.217 14.187 -1.969 275 HB3 LYS 45 1HB LYS 45 10.510 13.218 -2.666 276 HG2 LYS 45 2HG LYS 45 11.332 15.498 -3.621 277 HG3 LYS 45 1HG LYS 45 10.319 16.180 -2.349 278 HD2 LYS 45 2HD LYS 45 12.420 14.083 -1.828 279 HD3 LYS 45 1HD LYS 45 12.751 15.815 -1.761 280 HE2 LYS 45 2HE LYS 45 10.528 15.632 -0.204 281 HE3 LYS 45 1HE LYS 45 11.312 14.089 0.131 282 HZ1 LYS 45 3HZ LYS 45 13.327 15.277 0.730 283 HZ2 LYS 45 1HZ LYS 45 12.026 15.813 1.671 284 HZ3 LYS 45 2HZ LYS 45 12.589 16.761 0.389 285 H LEU 46 H LEU 46 8.933 11.560 -4.453 286 HA LEU 46 HA LEU 46 11.302 11.203 -6.037 287 HB2 LEU 46 2HB LEU 46 9.179 9.375 -4.992 288 HB3 LEU 46 1HB LEU 46 10.300 8.809 -6.214 289 HG LEU 46 HG LEU 46 11.081 9.856 -3.488 290 HD11 LEU 46 1HD1 LEU 46 9.860 7.613 -3.652 291 HD12 LEU 46 2HD1 LEU 46 11.409 7.644 -2.811 292 HD13 LEU 46 3HD1 LEU 46 11.315 7.029 -4.459 293 HD21 LEU 46 3HD2 LEU 46 12.683 8.759 -5.788 294 HD22 LEU 46 1HD2 LEU 46 13.292 8.794 -4.134 295 HD23 LEU 46 2HD2 LEU 46 12.880 10.300 -4.954 296 H ASN 47 H ASN 47 8.180 12.173 -6.806 297 HA ASN 47 HA ASN 47 6.961 12.290 -8.717 298 HB2 ASN 47 2HB ASN 47 8.974 13.535 -9.426 299 HB3 ASN 47 1HB ASN 47 9.693 12.032 -9.994 300 HD21 ASN 47 1HD2 ASN 47 6.459 13.487 -10.329 301 HD22 ASN 47 2HD2 ASN 47 6.420 13.402 -12.054 302 H VAL 48 H VAL 48 6.717 9.875 -7.664 303 HA VAL 48 HA VAL 48 7.040 7.990 -9.910 304 HB VAL 48 HB VAL 48 6.830 6.177 -8.185 305 HG11 VAL 48 1HG1 VAL 48 9.171 6.647 -7.210 306 HG12 VAL 48 2HG1 VAL 48 9.123 8.108 -8.198 307 HG13 VAL 48 3HG1 VAL 48 8.997 6.523 -8.961 308 HG21 VAL 48 3HG2 VAL 48 7.633 8.016 -6.024 309 HG22 VAL 48 1HG2 VAL 48 6.625 6.569 -5.970 310 HG23 VAL 48 2HG2 VAL 48 5.941 8.101 -6.511 311 H GLN 49 H GLN 49 4.839 9.928 -9.423 312 HA GLN 49 HA GLN 49 2.526 8.650 -8.475 313 HB2 GLN 49 2HB GLN 49 2.862 11.121 -8.908 314 HB3 GLN 49 1HB GLN 49 2.642 10.777 -10.617 315 HG2 GLN 49 2HG GLN 49 0.477 9.648 -9.110 316 HG3 GLN 49 1HG GLN 49 0.675 11.354 -8.713 317 HE21 GLN 49 1HE2 GLN 49 -1.005 12.249 -9.769 318 HE22 GLN 49 2HE2 GLN 49 -1.262 12.140 -11.473 319 H ASP 50 H ASP 50 4.176 8.508 -11.543 320 HA ASP 50 HA ASP 50 1.975 7.134 -12.860 321 HB2 ASP 50 2HB ASP 50 4.540 8.360 -13.720 322 HB3 ASP 50 1HB ASP 50 3.988 6.974 -14.651 323 H LYS 51 H LYS 51 4.958 6.422 -11.232 324 HA LYS 51 HA LYS 51 5.242 3.769 -12.302 325 HB2 LYS 51 2HB LYS 51 6.554 4.796 -9.791 326 HB3 LYS 51 1HB LYS 51 7.123 3.538 -10.876 327 HG2 LYS 51 2HG LYS 51 6.879 6.418 -11.708 328 HG3 LYS 51 1HG LYS 51 8.336 5.744 -10.979 329 HD2 LYS 51 2HD LYS 51 8.305 4.008 -12.819 330 HD3 LYS 51 1HD LYS 51 7.047 4.975 -13.591 331 HE2 LYS 51 2HE LYS 51 9.401 5.385 -14.401 332 HE3 LYS 51 1HE LYS 51 8.510 6.814 -13.884 333 HZ1 LYS 51 3HZ LYS 51 9.783 7.024 -11.986 334 HZ2 LYS 51 1HZ LYS 51 10.932 6.482 -13.104 335 HZ3 LYS 51 2HZ LYS 51 10.267 5.404 -11.982 336 H VAL 52 H VAL 52 4.044 5.186 -9.265 337 HA VAL 52 HA VAL 52 2.915 2.546 -8.577 338 HB VAL 52 HB VAL 52 4.737 3.287 -7.048 339 HG11 VAL 52 1HG1 VAL 52 3.486 5.768 -7.224 340 HG12 VAL 52 2HG1 VAL 52 4.835 5.331 -6.177 341 HG13 VAL 52 3HG1 VAL 52 3.182 5.225 -5.575 342 HG21 VAL 52 3HG2 VAL 52 3.694 2.543 -5.107 343 HG22 VAL 52 1HG2 VAL 52 2.688 1.868 -6.390 344 HG23 VAL 52 2HG2 VAL 52 2.160 3.308 -5.520 345 H PHE 53 H PHE 53 0.863 2.556 -7.464 346 HA PHE 53 HA PHE 53 -0.694 4.996 -7.943 347 HB2 PHE 53 2HB PHE 53 -1.261 2.153 -8.567 348 HB3 PHE 53 1HB PHE 53 -2.606 3.088 -7.926 349 HD1 PHE 53 2HD PHE 53 -3.472 5.024 -9.158 350 HD2 PHE 53 1HD PHE 53 -0.399 2.554 -10.763 351 HE1 PHE 53 2HE PHE 53 -3.888 5.963 -11.394 352 HE2 PHE 53 1HE PHE 53 -0.809 3.491 -12.999 353 HZ PHE 53 HZ PHE 53 -2.556 5.197 -13.318 354 H VAL 54 H VAL 54 -1.064 5.937 -6.112 355 HA VAL 54 HA VAL 54 -1.452 4.379 -3.658 356 HB VAL 54 HB VAL 54 -1.148 7.374 -3.903 357 HG11 VAL 54 1HG1 VAL 54 -1.258 5.456 -1.617 358 HG12 VAL 54 2HG1 VAL 54 -2.057 7.016 -1.816 359 HG13 VAL 54 3HG1 VAL 54 -0.330 6.948 -1.465 360 HG21 VAL 54 3HG2 VAL 54 1.075 7.205 -4.034 361 HG22 VAL 54 1HG2 VAL 54 0.813 5.524 -4.496 362 HG23 VAL 54 2HG2 VAL 54 1.132 5.936 -2.812 363 H PHE 55 H PHE 55 -3.353 4.285 -2.606 364 HA PHE 55 HA PHE 55 -5.543 6.040 -3.498 365 HB2 PHE 55 2HB PHE 55 -5.783 3.809 -4.530 366 HB3 PHE 55 1HB PHE 55 -5.768 3.076 -2.931 367 HD1 PHE 55 2HD PHE 55 -7.678 5.303 -5.180 368 HD2 PHE 55 1HD PHE 55 -7.722 2.972 -1.619 369 HE1 PHE 55 2HE PHE 55 -10.121 5.564 -5.043 370 HE2 PHE 55 1HE PHE 55 -10.165 3.227 -1.478 371 HZ PHE 55 HZ PHE 55 -11.366 4.526 -3.191 372 H ASP 56 H ASP 56 -6.710 6.950 -1.913 373 HA ASP 56 HA ASP 56 -5.999 6.304 0.846 374 HB2 ASP 56 2HB ASP 56 -7.092 8.444 1.414 375 HB3 ASP 56 1HB ASP 56 -5.829 8.651 0.206 376 H ILE 57 H ILE 57 -7.545 5.900 2.459 377 HA ILE 57 HA ILE 57 -10.105 4.898 1.412 378 HB ILE 57 HB ILE 57 -10.181 3.593 3.612 379 HG12 ILE 57 2HG1 ILE 57 -7.188 3.999 3.550 380 HG13 ILE 57 1HG1 ILE 57 -8.242 4.932 4.607 381 HG21 ILE 57 1HG2 ILE 57 -8.700 3.100 1.153 382 HG22 ILE 57 2HG2 ILE 57 -9.859 2.081 2.005 383 HG23 ILE 57 3HG2 ILE 57 -8.169 2.099 2.504 384 HD11 ILE 57 3HD1 ILE 57 -7.785 3.299 6.068 385 HD12 ILE 57 1HD1 ILE 57 -7.344 2.149 4.806 386 HD13 ILE 57 2HD1 ILE 57 -9.042 2.422 5.196 387 H GLY 58 H GLY 58 -11.143 6.916 1.491 388 HA2 GLY 58 2HA GLY 58 -11.827 7.797 4.229 389 HA3 GLY 58 1HA GLY 58 -11.546 8.939 2.927 390 H SER 59 H SER 59 -12.961 7.828 0.840 391 HA SER 59 HA SER 59 -15.577 8.672 1.340 392 HB2 SER 59 2HB SER 59 -14.222 7.238 -0.889 393 HB3 SER 59 1HB SER 59 -15.984 7.173 -0.841 394 HG SER 59 HG SER 59 -15.384 8.971 -2.014 395 H LEU 60 H LEU 60 -14.200 5.424 1.291 396 HA LEU 60 HA LEU 60 -16.569 3.963 1.529 397 HB2 LEU 60 2HB LEU 60 -15.099 2.182 2.522 398 HB3 LEU 60 1HB LEU 60 -14.614 2.786 0.952 399 HG LEU 60 HG LEU 60 -13.329 4.168 3.205 400 HD11 LEU 60 1HD1 LEU 60 -11.937 2.427 3.937 401 HD12 LEU 60 2HD1 LEU 60 -12.481 1.340 2.659 402 HD13 LEU 60 3HD1 LEU 60 -13.569 1.761 3.981 403 HD21 LEU 60 3HD2 LEU 60 -12.217 4.721 1.329 404 HD22 LEU 60 1HD2 LEU 60 -12.726 3.264 0.472 405 HD23 LEU 60 2HD2 LEU 60 -11.371 3.198 1.597 406 HA PRO 61 HA PRO 61 -17.706 5.343 5.666 407 HB2 PRO 61 2HB PRO 61 -20.009 3.562 5.233 408 HB3 PRO 61 1HB PRO 61 -19.981 5.301 5.533 409 HG2 PRO 61 2HG PRO 61 -20.627 4.302 3.131 410 HG3 PRO 61 1HG PRO 61 -19.720 5.817 3.295 411 HD2 PRO 61 2HD PRO 61 -18.712 3.066 2.648 412 HD3 PRO 61 1HD PRO 61 -18.277 4.625 1.914 413 H ARG 62 H ARG 62 -18.885 3.939 7.544 414 HA ARG 62 HA ARG 62 -16.974 2.142 8.485 415 HB2 ARG 62 2HB ARG 62 -19.143 3.368 9.588 416 HB3 ARG 62 1HB ARG 62 -19.701 1.702 9.513 417 HG2 ARG 62 2HG ARG 62 -17.462 1.118 10.634 418 HG3 ARG 62 1HG ARG 62 -17.371 2.839 11.012 419 HD2 ARG 62 2HD ARG 62 -19.965 1.678 11.646 420 HD3 ARG 62 1HD ARG 62 -18.644 0.896 12.509 421 HE ARG 62 HE ARG 62 -19.655 3.549 12.925 422 HH11 ARG 62 1HH1 ARG 62 -16.835 1.494 13.266 423 HH12 ARG 62 2HH1 ARG 62 -16.154 2.435 14.549 424 HH21 ARG 62 1HH2 ARG 62 -18.745 4.784 14.617 425 HH22 ARG 62 2HH2 ARG 62 -17.236 4.300 15.316 426 H ASN 63 H ASN 63 -19.880 1.550 6.582 427 HA ASN 63 HA ASN 63 -20.049 -1.231 6.902 428 HB2 ASN 63 2HB ASN 63 -21.531 0.621 5.565 429 HB3 ASN 63 1HB ASN 63 -20.736 -0.195 4.223 430 HD21 ASN 63 1HD2 ASN 63 -20.975 -2.511 4.069 431 HD22 ASN 63 2HD2 ASN 63 -22.404 -3.261 4.682 432 H GLU 64 H GLU 64 -18.447 0.644 4.316 433 HA GLU 64 HA GLU 64 -17.296 -1.665 3.109 434 HB2 GLU 64 2HB GLU 64 -17.129 1.265 2.703 435 HB3 GLU 64 1HB GLU 64 -15.760 0.319 2.135 436 HG2 GLU 64 2HG GLU 64 -17.005 0.235 0.259 437 HG3 GLU 64 1HG GLU 64 -17.713 -1.147 1.089 438 H GLN 65 H GLN 65 -16.197 0.652 5.524 439 HA GLN 65 HA GLN 65 -13.472 0.105 5.523 440 HB2 GLN 65 2HB GLN 65 -15.408 1.138 7.523 441 HB3 GLN 65 1HB GLN 65 -13.880 0.536 8.149 442 HG2 GLN 65 2HG GLN 65 -12.987 2.082 6.135 443 HG3 GLN 65 1HG GLN 65 -14.463 2.944 6.565 444 HE21 GLN 65 1HE2 GLN 65 -14.228 4.448 8.059 445 HE22 GLN 65 2HE2 GLN 65 -13.011 4.486 9.284 446 H GLU 66 H GLU 66 -16.112 -1.600 7.177 447 HA GLU 66 HA GLU 66 -14.406 -3.449 8.518 448 HB2 GLU 66 2HB GLU 66 -17.354 -3.669 7.883 449 HB3 GLU 66 1HB GLU 66 -16.473 -4.684 9.015 450 HG2 GLU 66 2HG GLU 66 -16.255 -1.800 9.520 451 HG3 GLU 66 1HG GLU 66 -17.876 -2.473 9.691 452 H LYS 67 H LYS 67 -16.430 -3.676 5.591 453 HA LYS 67 HA LYS 67 -15.910 -6.341 4.964 454 HB2 LYS 67 2HB LYS 67 -16.815 -3.959 3.441 455 HB3 LYS 67 1HB LYS 67 -16.212 -5.316 2.500 456 HG2 LYS 67 2HG LYS 67 -17.833 -6.787 3.655 457 HG3 LYS 67 1HG LYS 67 -18.483 -5.367 4.477 458 HD2 LYS 67 2HD LYS 67 -19.916 -5.355 2.729 459 HD3 LYS 67 1HD LYS 67 -18.589 -4.513 1.926 460 HE2 LYS 67 2HE LYS 67 -17.852 -7.032 1.430 461 HE3 LYS 67 1HE LYS 67 -19.593 -7.278 1.563 462 HZ1 LYS 67 3HZ LYS 67 -20.008 -5.966 -0.262 463 HZ2 LYS 67 1HZ LYS 67 -18.547 -6.689 -0.715 464 HZ3 LYS 67 2HZ LYS 67 -18.561 -5.102 -0.131 465 H TRP 68 H TRP 68 -14.173 -3.411 3.907 466 HA TRP 68 HA TRP 68 -12.280 -4.682 2.280 467 HB2 TRP 68 2HB TRP 68 -12.692 -2.041 3.376 468 HB3 TRP 68 1HB TRP 68 -10.987 -2.470 3.443 469 HD1 TRP 68 HD TRP 68 -9.638 -2.314 1.234 470 HE1 TRP 68 1HE TRP 68 -10.224 -1.731 -1.202 471 HE3 TRP 68 3HE TRP 68 -14.741 -2.312 1.599 472 HZ2 TRP 68 2HZ TRP 68 -12.539 -1.324 -2.764 473 HZ3 TRP 68 3HZ TRP 68 -16.065 -1.814 -0.414 474 HH2 TRP 68 HH TRP 68 -14.985 -1.331 -2.550 475 H ARG 69 H ARG 69 -12.306 -4.061 5.759 476 HA ARG 69 HA ARG 69 -9.650 -4.770 6.322 477 HB2 ARG 69 2HB ARG 69 -11.535 -3.714 7.826 478 HB3 ARG 69 1HB ARG 69 -11.840 -5.388 8.265 479 HG2 ARG 69 2HG ARG 69 -9.213 -5.365 8.655 480 HG3 ARG 69 1HG ARG 69 -9.528 -3.645 8.895 481 HD2 ARG 69 2HD ARG 69 -11.539 -4.849 10.340 482 HD3 ARG 69 1HD ARG 69 -10.167 -5.924 10.603 483 HE ARG 69 HE ARG 69 -9.168 -4.294 11.861 484 HH11 ARG 69 1HH1 ARG 69 -11.811 -2.860 10.060 485 HH12 ARG 69 2HH1 ARG 69 -11.724 -1.347 10.894 486 HH21 ARG 69 1HH2 ARG 69 -9.051 -2.291 12.950 487 HH22 ARG 69 2HH2 ARG 69 -10.155 -1.024 12.536 488 H ILE 70 H ILE 70 -12.620 -6.753 6.500 489 HA ILE 70 HA ILE 70 -11.367 -9.158 7.216 490 HB ILE 70 HB ILE 70 -13.892 -8.895 5.572 491 HG12 ILE 70 2HG1 ILE 70 -14.144 -7.579 7.587 492 HG13 ILE 70 1HG1 ILE 70 -15.062 -9.068 7.774 493 HG21 ILE 70 1HG2 ILE 70 -12.513 -11.142 6.905 494 HG22 ILE 70 2HG2 ILE 70 -13.545 -11.128 5.475 495 HG23 ILE 70 3HG2 ILE 70 -14.267 -11.077 7.084 496 HD11 ILE 70 3HD1 ILE 70 -12.455 -8.318 9.050 497 HD12 ILE 70 1HD1 ILE 70 -13.058 -9.975 9.026 498 HD13 ILE 70 2HD1 ILE 70 -13.991 -8.710 9.825 499 H ALA 71 H ALA 71 -12.240 -7.891 4.006 500 HA ALA 71 HA ALA 71 -11.386 -10.077 2.485 501 HB1 ALA 71 1HB ALA 71 -12.651 -7.835 1.846 502 HB2 ALA 71 2HB ALA 71 -11.777 -8.793 0.651 503 HB3 ALA 71 3HB ALA 71 -11.027 -7.359 1.353 504 H PHE 72 H PHE 72 -9.613 -7.077 3.288 505 HA PHE 72 HA PHE 72 -7.208 -7.749 2.031 506 HB2 PHE 72 2HB PHE 72 -8.041 -5.527 3.203 507 HB3 PHE 72 1HB PHE 72 -7.144 -6.177 4.572 508 HD1 PHE 72 2HD PHE 72 -6.834 -5.176 1.017 509 HD2 PHE 72 1HD PHE 72 -4.805 -6.010 4.667 510 HE1 PHE 72 2HE PHE 72 -4.745 -4.300 0.054 511 HE2 PHE 72 1HE PHE 72 -2.716 -5.135 3.707 512 HZ PHE 72 HZ PHE 72 -2.684 -4.279 1.400 513 H GLN 73 H GLN 73 -8.255 -8.325 5.388 514 HA GLN 73 HA GLN 73 -5.861 -9.522 6.270 515 HB2 GLN 73 2HB GLN 73 -8.316 -8.876 7.413 516 HB3 GLN 73 1HB GLN 73 -8.234 -10.627 7.543 517 HG2 GLN 73 2HG GLN 73 -6.091 -10.454 8.684 518 HG3 GLN 73 1HG GLN 73 -6.146 -8.699 8.533 519 HE21 GLN 73 1HE2 GLN 73 -5.819 -9.712 10.985 520 HE22 GLN 73 2HE2 GLN 73 -7.259 -9.545 11.925 521 H LYS 74 H LYS 74 -8.533 -10.756 4.398 522 HA LYS 74 HA LYS 74 -7.847 -13.526 4.783 523 HB2 LYS 74 2HB LYS 74 -10.096 -12.163 3.919 524 HB3 LYS 74 1HB LYS 74 -9.480 -12.900 2.450 525 HG2 LYS 74 2HG LYS 74 -9.337 -14.949 4.286 526 HG3 LYS 74 1HG LYS 74 -10.825 -14.108 4.723 527 HD2 LYS 74 2HD LYS 74 -11.838 -15.198 3.066 528 HD3 LYS 74 1HD LYS 74 -10.860 -14.268 1.930 529 HE2 LYS 74 2HE LYS 74 -10.008 -16.872 3.192 530 HE3 LYS 74 1HE LYS 74 -10.734 -16.732 1.592 531 HZ1 LYS 74 3HZ LYS 74 -8.159 -16.782 1.873 532 HZ2 LYS 74 1HZ LYS 74 -8.342 -15.136 2.207 533 HZ3 LYS 74 2HZ LYS 74 -8.863 -15.761 0.727 534 H VAL 75 H VAL 75 -7.069 -10.979 2.521 535 HA VAL 75 HA VAL 75 -5.980 -12.766 0.537 536 HB VAL 75 HB VAL 75 -5.640 -9.767 0.709 537 HG11 VAL 75 1HG1 VAL 75 -5.535 -11.450 -1.772 538 HG12 VAL 75 2HG1 VAL 75 -4.103 -11.203 -0.774 539 HG13 VAL 75 3HG1 VAL 75 -4.915 -9.821 -1.509 540 HG21 VAL 75 3HG2 VAL 75 -7.700 -9.455 -0.094 541 HG22 VAL 75 1HG2 VAL 75 -8.026 -11.119 0.383 542 HG23 VAL 75 2HG2 VAL 75 -7.527 -10.759 -1.268 543 H VAL 76 H VAL 76 -4.648 -10.420 2.888 544 HA VAL 76 HA VAL 76 -2.078 -11.817 2.596 545 HB VAL 76 HB VAL 76 -1.916 -9.565 1.666 546 HG11 VAL 76 1HG1 VAL 76 -3.655 -8.478 2.995 547 HG12 VAL 76 2HG1 VAL 76 -2.135 -7.587 3.073 548 HG13 VAL 76 3HG1 VAL 76 -2.636 -8.594 4.429 549 HG21 VAL 76 3HG2 VAL 76 -0.327 -9.092 4.056 550 HG22 VAL 76 1HG2 VAL 76 0.186 -9.404 2.398 551 HG23 VAL 76 2HG2 VAL 76 -0.196 -10.751 3.468 552 H GLY 77 H GLY 77 -4.265 -10.182 4.852 553 HA2 GLY 77 2HA GLY 77 -4.649 -10.847 7.072 554 HA3 GLY 77 1HA GLY 77 -3.186 -11.817 7.012 555 H SER 78 H SER 78 -3.571 -8.382 6.207 556 HA SER 78 HA SER 78 -1.597 -7.776 8.298 557 HB2 SER 78 2HB SER 78 -1.368 -7.208 5.680 558 HB3 SER 78 1HB SER 78 -2.222 -5.757 6.207 559 HG SER 78 HG SER 78 0.134 -5.674 6.311 560 H ARG 79 H ARG 79 -2.620 -7.192 10.096 561 HA ARG 79 HA ARG 79 -5.039 -5.557 9.959 562 HB2 ARG 79 2HB ARG 79 -5.025 -5.926 12.479 563 HB3 ARG 79 1HB ARG 79 -5.268 -7.352 11.484 564 HG2 ARG 79 2HG ARG 79 -3.143 -8.177 11.925 565 HG3 ARG 79 1HG ARG 79 -2.541 -6.607 12.462 566 HD2 ARG 79 2HD ARG 79 -4.590 -7.075 14.215 567 HD3 ARG 79 1HD ARG 79 -3.953 -8.697 13.947 568 HE ARG 79 HE ARG 79 -2.750 -6.647 15.475 569 HH11 ARG 79 1HH1 ARG 79 -1.939 -9.242 13.264 570 HH12 ARG 79 2HH1 ARG 79 -0.347 -9.456 13.902 571 HH21 ARG 79 1HH2 ARG 79 -0.646 -6.932 16.309 572 HH22 ARG 79 2HH2 ARG 79 0.387 -8.146 15.635 573 H ASN 80 H ASN 80 -2.541 -4.383 9.168 574 HA ASN 80 HA ASN 80 -2.234 -2.328 11.264 575 HB2 ASN 80 2HB ASN 80 -0.222 -3.786 11.004 576 HB3 ASN 80 1HB ASN 80 -0.103 -3.263 9.328 577 HD21 ASN 80 1HD2 ASN 80 1.135 -1.572 8.921 578 HD22 ASN 80 2HD2 ASN 80 1.678 -0.415 10.082 579 H LEU 81 H LEU 81 -1.702 -0.169 10.484 580 HA LEU 81 HA LEU 81 -2.232 0.348 7.656 581 HB2 LEU 81 2HB LEU 81 -3.922 1.264 9.939 582 HB3 LEU 81 1HB LEU 81 -3.690 2.350 8.582 583 HG LEU 81 HG LEU 81 -4.755 -0.460 8.312 584 HD11 LEU 81 1HD1 LEU 81 -6.869 1.075 7.754 585 HD12 LEU 81 2HD1 LEU 81 -6.090 2.097 8.963 586 HD13 LEU 81 3HD1 LEU 81 -6.541 0.440 9.367 587 HD21 LEU 81 3HD2 LEU 81 -5.494 0.393 6.097 588 HD22 LEU 81 1HD2 LEU 81 -3.742 0.332 6.283 589 HD23 LEU 81 2HD2 LEU 81 -4.591 1.874 6.409 590 HA PRO 82 HA PRO 82 -2.283 2.017 6.282 591 HB2 PRO 82 2HB PRO 82 -0.440 2.874 4.514 592 HB3 PRO 82 1HB PRO 82 -1.448 3.995 5.436 593 HG2 PRO 82 2HG PRO 82 1.382 3.153 5.927 594 HG3 PRO 82 1HG PRO 82 0.662 4.770 6.025 595 HD2 PRO 82 2HD PRO 82 1.135 3.202 8.208 596 HD3 PRO 82 1HD PRO 82 -0.162 4.412 8.136 597 H THR 83 H THR 83 -1.630 0.864 4.155 598 HA THR 83 HA THR 83 0.349 -1.246 4.675 599 HB THR 83 HB THR 83 -1.317 -2.777 3.402 600 HG1 THR 83 1HG THR 83 -3.180 -0.941 4.485 601 HG21 THR 83 3HG2 THR 83 -0.982 -2.280 6.155 602 HG22 THR 83 1HG2 THR 83 -1.548 -3.748 5.361 603 HG23 THR 83 2HG2 THR 83 -2.705 -2.515 5.861 604 H ILE 84 H ILE 84 1.585 -1.842 2.964 605 HA ILE 84 HA ILE 84 0.995 -0.571 0.368 606 HB ILE 84 HB ILE 84 3.740 -1.238 1.430 607 HG12 ILE 84 2HG1 ILE 84 2.559 1.530 1.184 608 HG13 ILE 84 1HG1 ILE 84 2.483 0.606 2.681 609 HG21 ILE 84 1HG2 ILE 84 4.048 0.657 -0.507 610 HG22 ILE 84 2HG2 ILE 84 2.706 -0.297 -1.137 611 HG23 ILE 84 3HG2 ILE 84 4.234 -1.080 -0.743 612 HD11 ILE 84 3HD1 ILE 84 4.333 2.183 2.691 613 HD12 ILE 84 1HD1 ILE 84 5.001 1.419 1.248 614 HD13 ILE 84 2HD1 ILE 84 4.912 0.520 2.761 615 H VAL 85 H VAL 85 0.329 -2.066 -1.038 616 HA VAL 85 HA VAL 85 1.422 -4.786 -0.857 617 HB VAL 85 HB VAL 85 -0.454 -5.361 -2.474 618 HG11 VAL 85 1HG1 VAL 85 -0.641 -6.050 -0.218 619 HG12 VAL 85 2HG1 VAL 85 -2.184 -5.311 -0.644 620 HG13 VAL 85 3HG1 VAL 85 -1.014 -4.415 0.327 621 HG21 VAL 85 3HG2 VAL 85 -2.319 -3.876 -2.669 622 HG22 VAL 85 1HG2 VAL 85 -0.874 -3.001 -3.168 623 HG23 VAL 85 2HG2 VAL 85 -1.574 -2.710 -1.576 624 H VAL 86 H VAL 86 2.906 -5.427 -2.249 625 HA VAL 86 HA VAL 86 3.137 -4.037 -4.843 626 HB VAL 86 HB VAL 86 5.404 -5.344 -3.333 627 HG11 VAL 86 1HG1 VAL 86 5.216 -4.648 -5.989 628 HG12 VAL 86 2HG1 VAL 86 6.709 -4.875 -5.080 629 HG13 VAL 86 3HG1 VAL 86 6.029 -3.258 -5.269 630 HG21 VAL 86 3HG2 VAL 86 4.738 -2.403 -3.489 631 HG22 VAL 86 1HG2 VAL 86 6.137 -3.120 -2.689 632 HG23 VAL 86 2HG2 VAL 86 4.515 -3.426 -2.070 633 H ASN 87 H ASN 87 2.839 -5.275 -6.582 634 HA ASN 87 HA ASN 87 2.616 -7.071 -7.951 635 HB2 ASN 87 2HB ASN 87 5.017 -7.494 -6.636 636 HB3 ASN 87 1HB ASN 87 4.155 -9.008 -6.390 637 HD21 ASN 87 1HD2 ASN 87 2.752 -9.283 -8.709 638 HD22 ASN 87 2HD2 ASN 87 3.840 -9.442 -10.041 639 H GLY 88 H GLY 88 0.702 -6.661 -5.860 640 HA2 GLY 88 2HA GLY 88 -1.177 -7.715 -5.062 641 HA3 GLY 88 1HA GLY 88 -0.712 -9.107 -6.023 642 H LYS 89 H LYS 89 0.927 -7.513 -3.311 643 HA LYS 89 HA LYS 89 0.263 -9.388 -1.350 644 HB2 LYS 89 2HB LYS 89 2.552 -10.483 -1.167 645 HB3 LYS 89 1HB LYS 89 1.514 -11.055 -2.465 646 HG2 LYS 89 2HG LYS 89 2.760 -9.843 -4.097 647 HG3 LYS 89 1HG LYS 89 3.679 -9.003 -2.848 648 HD2 LYS 89 2HD LYS 89 5.176 -10.632 -3.470 649 HD3 LYS 89 1HD LYS 89 4.348 -11.435 -2.136 650 HE2 LYS 89 2HE LYS 89 3.406 -12.973 -3.481 651 HE3 LYS 89 1HE LYS 89 3.081 -11.802 -4.758 652 HZ1 LYS 89 3HZ LYS 89 5.687 -11.951 -5.005 653 HZ2 LYS 89 1HZ LYS 89 4.661 -13.059 -5.770 654 HZ3 LYS 89 2HZ LYS 89 5.437 -13.480 -4.328 655 H PHE 90 H PHE 90 0.828 -8.628 0.602 656 HA PHE 90 HA PHE 90 1.812 -6.029 0.900 657 HB2 PHE 90 2HB PHE 90 0.362 -7.233 2.541 658 HB3 PHE 90 1HB PHE 90 1.761 -8.186 3.017 659 HD1 PHE 90 2HD PHE 90 0.210 -4.864 3.109 660 HD2 PHE 90 1HD PHE 90 3.492 -7.255 4.386 661 HE1 PHE 90 2HE PHE 90 0.817 -3.147 4.762 662 HE2 PHE 90 1HE PHE 90 4.100 -5.542 6.042 663 HZ PHE 90 HZ PHE 90 2.760 -3.484 6.232 664 H TRP 91 H TRP 91 3.807 -5.440 0.314 665 HA TRP 91 HA TRP 91 6.071 -7.016 1.350 666 HB2 TRP 91 2HB TRP 91 5.408 -6.476 -1.361 667 HB3 TRP 91 1HB TRP 91 6.868 -5.574 -0.983 668 HD1 TRP 91 HD TRP 91 6.095 -9.062 0.474 669 HE1 TRP 91 1HE TRP 91 7.899 -10.699 -0.355 670 HE3 TRP 91 3HE TRP 91 8.580 -5.973 -2.762 671 HZ2 TRP 91 2HZ TRP 91 10.085 -10.687 -2.143 672 HZ3 TRP 91 3HZ TRP 91 10.514 -6.865 -3.992 673 HH2 TRP 91 HH TRP 91 11.249 -9.174 -3.688 674 H GLY 92 H GLY 92 4.523 -4.173 1.796 675 HA2 GLY 92 2HA GLY 92 6.969 -2.897 2.756 676 HA3 GLY 92 1HA GLY 92 6.022 -1.996 1.587 677 H THR 93 H THR 93 6.712 -1.609 4.517 678 HA THR 93 HA THR 93 3.952 -1.208 5.481 679 HB THR 93 HB THR 93 4.632 -1.637 7.715 680 HG1 THR 93 1HG THR 93 6.731 -1.766 8.354 681 HG21 THR 93 3HG2 THR 93 5.150 -3.625 5.753 682 HG22 THR 93 1HG2 THR 93 4.627 -3.820 7.425 683 HG23 THR 93 2HG2 THR 93 6.347 -3.766 7.039 684 H GLU 94 H GLU 94 4.136 0.455 7.481 685 HA GLU 94 HA GLU 94 4.890 2.949 6.301 686 HB2 GLU 94 2HB GLU 94 2.999 2.335 8.068 687 HB3 GLU 94 1HB GLU 94 4.271 2.737 9.214 688 HG2 GLU 94 2HG GLU 94 3.442 4.589 6.999 689 HG3 GLU 94 1HG GLU 94 2.685 4.594 8.591 690 H SER 95 H SER 95 6.136 0.928 8.927 691 HA SER 95 HA SER 95 8.232 2.718 9.661 692 HB2 SER 95 2HB SER 95 7.095 0.583 10.896 693 HB3 SER 95 1HB SER 95 8.573 -0.158 10.281 694 HG SER 95 HG SER 95 8.349 2.102 11.981 695 H GLN 96 H GLN 96 7.952 0.044 7.391 696 HA GLN 96 HA GLN 96 10.611 -0.566 6.937 697 HB2 GLN 96 2HB GLN 96 8.532 -1.641 5.916 698 HB3 GLN 96 1HB GLN 96 8.573 -0.349 4.724 699 HG2 GLN 96 2HG GLN 96 11.040 -1.943 5.164 700 HG3 GLN 96 1HG GLN 96 9.703 -2.682 4.285 701 HE21 GLN 96 1HE2 GLN 96 12.078 -2.327 3.027 702 HE22 GLN 96 2HE2 GLN 96 11.945 -1.083 1.836 703 H LEU 97 H LEU 97 8.720 2.144 5.695 704 HA LEU 97 HA LEU 97 10.487 3.091 3.758 705 HB2 LEU 97 2HB LEU 97 8.780 4.834 5.532 706 HB3 LEU 97 1HB LEU 97 9.358 5.205 3.920 707 HG LEU 97 HG LEU 97 7.388 3.002 4.544 708 HD11 LEU 97 1HD1 LEU 97 6.558 5.460 3.120 709 HD12 LEU 97 2HD1 LEU 97 6.803 5.584 4.861 710 HD13 LEU 97 3HD1 LEU 97 5.651 4.416 4.215 711 HD21 LEU 97 3HD2 LEU 97 8.961 3.170 2.375 712 HD22 LEU 97 1HD2 LEU 97 7.632 4.203 1.853 713 HD23 LEU 97 2HD2 LEU 97 7.317 2.534 2.330 714 H HIS 98 H HIS 98 10.167 4.317 7.112 715 HA HIS 98 HA HIS 98 12.483 5.917 7.006 716 HB2 HIS 98 2HB HIS 98 10.447 5.533 8.834 717 HB3 HIS 98 1HB HIS 98 11.856 4.900 9.678 718 HD1 HIS 98 1HD HIS 98 12.885 6.633 11.102 719 HD2 HIS 98 2HD HIS 98 11.274 8.258 7.633 720 HE1 HIS 98 1HE HIS 98 13.331 9.106 11.246 721 HE2 HIS 98 2HE HIS 98 12.316 10.073 9.150 722 H ARG 99 H ARG 99 11.997 2.543 7.888 723 HA ARG 99 HA ARG 99 14.481 2.053 9.094 724 HB2 ARG 99 2HB ARG 99 12.365 0.392 7.849 725 HB3 ARG 99 1HB ARG 99 13.954 -0.346 7.994 726 HG2 ARG 99 2HG ARG 99 13.834 0.400 10.459 727 HG3 ARG 99 1HG ARG 99 12.105 0.586 10.155 728 HD2 ARG 99 2HD ARG 99 12.649 -1.882 9.078 729 HD3 ARG 99 1HD ARG 99 13.710 -1.836 10.485 730 HE ARG 99 HE ARG 99 11.339 -1.010 11.485 731 HH11 ARG 99 1HH1 ARG 99 12.269 -3.800 9.577 732 HH12 ARG 99 2HH1 ARG 99 11.039 -4.818 10.244 733 HH21 ARG 99 1HH2 ARG 99 9.723 -2.367 12.362 734 HH22 ARG 99 2HH2 ARG 99 9.597 -4.006 11.822 735 H PHE 100 H PHE 100 13.485 1.794 5.700 736 HA PHE 100 HA PHE 100 16.109 0.975 4.838 737 HB2 PHE 100 2HB PHE 100 13.467 1.348 3.592 738 HB3 PHE 100 1HB PHE 100 14.832 1.721 2.544 739 HD1 PHE 100 1HD PHE 100 14.317 -0.898 5.153 740 HD2 PHE 100 2HD PHE 100 15.127 -0.015 1.070 741 HE1 PHE 100 1HE PHE 100 14.624 -3.297 4.701 742 HE2 PHE 100 2HE PHE 100 15.434 -2.412 0.610 743 HZ PHE 100 HZ PHE 100 15.183 -4.056 2.424 744 H GLU 101 H GLU 101 14.207 3.966 4.757 745 HA GLU 101 HA GLU 101 15.946 5.499 3.184 746 HB2 GLU 101 2HB GLU 101 13.531 5.963 4.303 747 HB3 GLU 101 1HB GLU 101 14.549 6.894 5.390 748 HG2 GLU 101 2HG GLU 101 14.619 8.548 3.931 749 HG3 GLU 101 1HG GLU 101 15.344 7.483 2.731 750 H ALA 102 H ALA 102 15.877 4.907 6.663 751 HA ALA 102 HA ALA 102 17.925 6.723 7.371 752 HB1 ALA 102 1HB ALA 102 17.188 4.199 8.843 753 HB2 ALA 102 2HB ALA 102 16.271 5.703 8.947 754 HB3 ALA 102 3HB ALA 102 17.945 5.649 9.503 755 H LYS 103 H LYS 103 17.977 3.256 6.576 756 HA LYS 103 HA LYS 103 20.770 2.952 7.024 757 HB2 LYS 103 2HB LYS 103 18.751 1.261 5.552 758 HB3 LYS 103 1HB LYS 103 20.424 0.790 5.797 759 HG2 LYS 103 2HG LYS 103 20.054 0.955 8.248 760 HG3 LYS 103 1HG LYS 103 18.347 1.251 7.917 761 HD2 LYS 103 2HD LYS 103 18.962 -1.012 6.426 762 HD3 LYS 103 1HD LYS 103 19.820 -1.242 7.951 763 HE2 LYS 103 2HE LYS 103 17.340 -0.285 8.721 764 HE3 LYS 103 1HE LYS 103 16.974 -1.363 7.374 765 HZ1 LYS 103 3HZ LYS 103 17.636 -3.174 8.526 766 HZ2 LYS 103 1HZ LYS 103 17.235 -2.213 9.860 767 HZ3 LYS 103 2HZ LYS 103 18.848 -2.357 9.375 768 H GLY 104 H GLY 104 18.809 3.886 4.280 769 HA2 GLY 104 2HA GLY 104 19.643 5.091 2.430 770 HA3 GLY 104 1HA GLY 104 21.249 4.471 2.779 771 H THR 105 H THR 105 18.540 2.280 2.715 772 HA THR 105 HA THR 105 19.572 1.165 0.188 773 HB THR 105 HB THR 105 18.425 -0.970 1.028 774 HG1 THR 105 1HG THR 105 17.751 -1.037 3.051 775 HG21 THR 105 3HG2 THR 105 20.980 0.008 1.486 776 HG22 THR 105 1HG2 THR 105 20.434 -1.661 1.647 777 HG23 THR 105 2HG2 THR 105 20.440 -0.596 3.052 778 H LEU 106 H LEU 106 17.212 3.161 0.988 779 HA LEU 106 HA LEU 106 14.834 1.928 0.068 780 HB2 LEU 106 2HB LEU 106 15.337 4.242 1.322 781 HB3 LEU 106 1HB LEU 106 15.208 4.853 -0.315 782 HG LEU 106 HG LEU 106 13.084 5.100 0.770 783 HD11 LEU 106 1HD1 LEU 106 13.082 4.421 -1.611 784 HD12 LEU 106 2HD1 LEU 106 11.631 3.932 -0.738 785 HD13 LEU 106 3HD1 LEU 106 12.883 2.745 -1.097 786 HD21 LEU 106 3HD2 LEU 106 11.832 3.228 1.681 787 HD22 LEU 106 1HD2 LEU 106 13.378 3.407 2.509 788 HD23 LEU 106 2HD2 LEU 106 13.163 2.135 1.307 789 H GLU 107 H GLU 107 17.188 4.061 -1.577 790 HA GLU 107 HA GLU 107 15.907 4.092 -4.076 791 HB2 GLU 107 2HB GLU 107 18.673 4.677 -3.126 792 HB3 GLU 107 1HB GLU 107 18.406 4.496 -4.853 793 HG2 GLU 107 2HG GLU 107 16.452 6.235 -3.569 794 HG3 GLU 107 1HG GLU 107 18.112 6.804 -3.408 795 H GLU 108 H GLU 108 18.490 1.978 -2.838 796 HA GLU 108 HA GLU 108 18.958 0.508 -5.158 797 HB2 GLU 108 2HB GLU 108 20.234 0.467 -2.933 798 HB3 GLU 108 1HB GLU 108 19.039 -0.709 -2.403 799 HG2 GLU 108 2HG GLU 108 19.702 -1.951 -4.594 800 HG3 GLU 108 1HG GLU 108 21.155 -0.962 -4.488 801 H GLU 109 H GLU 109 16.587 -0.030 -2.574 802 HA GLU 109 HA GLU 109 15.528 -2.429 -3.699 803 HB2 GLU 109 2HB GLU 109 15.361 -1.306 -1.256 804 HB3 GLU 109 1HB GLU 109 13.819 -0.787 -1.920 805 HG2 GLU 109 2HG GLU 109 14.283 -3.579 -2.464 806 HG3 GLU 109 1HG GLU 109 14.429 -3.239 -0.743 807 H LEU 110 H LEU 110 14.623 0.987 -3.842 808 HA LEU 110 HA LEU 110 12.136 0.774 -5.067 809 HB2 LEU 110 2HB LEU 110 13.486 2.838 -4.175 810 HB3 LEU 110 1HB LEU 110 14.021 2.965 -5.839 811 HG LEU 110 HG LEU 110 11.538 2.994 -6.467 812 HD11 LEU 110 1HD1 LEU 110 10.813 2.185 -4.193 813 HD12 LEU 110 2HD1 LEU 110 9.951 3.592 -4.813 814 HD13 LEU 110 3HD1 LEU 110 11.200 3.795 -3.587 815 HD21 LEU 110 3HD2 LEU 110 11.371 5.449 -5.626 816 HD22 LEU 110 1HD2 LEU 110 12.629 5.006 -6.779 817 HD23 LEU 110 2HD2 LEU 110 13.022 5.180 -5.070 818 H THR 111 H THR 111 15.361 0.861 -6.549 819 HA THR 111 HA THR 111 14.321 0.735 -9.225 820 HB THR 111 HB THR 111 17.155 0.077 -8.440 821 HG1 THR 111 1HG THR 111 17.415 2.034 -7.768 822 HG21 THR 111 3HG2 THR 111 15.826 1.129 -10.895 823 HG22 THR 111 1HG2 THR 111 17.005 -0.171 -10.725 824 HG23 THR 111 2HG2 THR 111 17.516 1.509 -10.564 825 H LYS 112 H LYS 112 15.480 -1.569 -6.839 826 HA LYS 112 HA LYS 112 15.745 -3.786 -8.587 827 HB2 LYS 112 2HB LYS 112 16.702 -3.485 -6.221 828 HB3 LYS 112 1HB LYS 112 15.121 -3.998 -5.648 829 HG2 LYS 112 2HG LYS 112 15.379 -6.151 -6.476 830 HG3 LYS 112 1HG LYS 112 16.639 -5.670 -7.613 831 HD2 LYS 112 2HD LYS 112 17.260 -5.218 -4.769 832 HD3 LYS 112 1HD LYS 112 17.106 -6.908 -5.249 833 HE2 LYS 112 2HE LYS 112 18.853 -6.753 -6.792 834 HE3 LYS 112 1HE LYS 112 18.776 -4.992 -6.837 835 HZ1 LYS 112 3HZ LYS 112 19.697 -4.884 -4.645 836 HZ2 LYS 112 1HZ LYS 112 20.698 -5.872 -5.587 837 HZ3 LYS 112 2HZ LYS 112 19.636 -6.566 -4.469 838 H ILE 113 H ILE 113 13.079 -2.662 -6.513 839 HA ILE 113 HA ILE 113 11.361 -4.857 -6.959 840 HB ILE 113 HB ILE 113 9.530 -3.410 -6.193 841 HG12 ILE 113 2HG1 ILE 113 11.605 -1.207 -6.177 842 HG13 ILE 113 1HG1 ILE 113 10.260 -1.326 -7.304 843 HG21 ILE 113 1HG2 ILE 113 10.418 -4.244 -4.304 844 HG22 ILE 113 2HG2 ILE 113 10.926 -2.578 -4.040 845 HG23 ILE 113 3HG2 ILE 113 12.056 -3.745 -4.723 846 HD11 ILE 113 3HD1 ILE 113 8.968 -0.234 -5.889 847 HD12 ILE 113 1HD1 ILE 113 10.328 -0.087 -4.776 848 HD13 ILE 113 2HD1 ILE 113 9.236 -1.468 -4.657 849 H GLY 114 H GLY 114 12.134 -2.119 -8.945 850 HA2 GLY 114 2HA GLY 114 11.658 -2.159 -11.288 851 HA3 GLY 114 1HA GLY 114 10.206 -3.083 -10.943 852 H LEU 115 H LEU 115 10.998 -0.306 -8.992 853 HA LEU 115 HA LEU 115 8.548 0.989 -9.808 854 HB2 LEU 115 2HB LEU 115 9.696 0.847 -7.438 855 HB3 LEU 115 1HB LEU 115 10.543 2.274 -7.994 856 HG LEU 115 HG LEU 115 7.642 2.420 -8.377 857 HD11 LEU 115 1HD1 LEU 115 8.805 2.100 -5.622 858 HD12 LEU 115 2HD1 LEU 115 7.472 1.209 -6.352 859 HD13 LEU 115 3HD1 LEU 115 7.270 2.908 -5.933 860 HD21 LEU 115 3HD2 LEU 115 7.998 4.623 -8.031 861 HD22 LEU 115 1HD2 LEU 115 9.662 4.177 -8.405 862 HD23 LEU 115 2HD2 LEU 115 9.152 4.349 -6.726 863 H LEU 116 H LEU 116 12.025 1.728 -9.933 864 HA LEU 116 HA LEU 116 11.739 4.217 -11.248 865 HB2 LEU 116 2HB LEU 116 13.898 2.522 -10.376 866 HB3 LEU 116 1HB LEU 116 14.229 3.124 -11.990 867 HG LEU 116 HG LEU 116 13.991 5.425 -11.216 868 HD11 LEU 116 1HD1 LEU 116 12.410 5.434 -9.532 869 HD12 LEU 116 2HD1 LEU 116 13.909 5.685 -8.637 870 HD13 LEU 116 3HD1 LEU 116 13.161 4.088 -8.675 871 HD21 LEU 116 3HD2 LEU 116 16.203 4.917 -11.033 872 HD22 LEU 116 1HD2 LEU 116 15.919 3.564 -9.939 873 HD23 LEU 116 2HD2 LEU 116 15.857 5.218 -9.331 874 HA PRO 117 HA PRO 117 12.597 1.905 -15.374 875 HB2 PRO 117 2HB PRO 117 12.676 -0.800 -15.391 876 HB3 PRO 117 1HB PRO 117 14.103 0.192 -15.071 877 HG2 PRO 117 2HG PRO 117 12.316 -1.240 -13.149 878 HG3 PRO 117 1HG PRO 117 14.083 -1.098 -13.143 879 HD2 PRO 117 2HD PRO 117 12.454 0.407 -11.562 880 HD3 PRO 117 1HD PRO 117 14.037 0.963 -12.137 Start of MODEL 10 1 H MET 9 1HT MET 9 -19.021 -14.721 0.149 2 HA MET 9 HA MET 9 -17.921 -12.206 1.164 3 HB2 MET 9 2HB MET 9 -17.757 -14.670 2.151 4 HB3 MET 9 1HB MET 9 -16.473 -14.802 0.957 5 HG2 MET 9 2HG MET 9 -15.089 -13.427 2.086 6 HG3 MET 9 1HG MET 9 -16.401 -12.406 2.675 7 HE1 MET 9 2HE MET 9 -18.214 -13.414 4.009 8 HE2 MET 9 3HE MET 9 -17.525 -13.203 5.619 9 HE3 MET 9 1HE MET 9 -18.088 -14.794 5.102 10 H SER 10 H SER 10 -17.611 -14.621 -1.401 11 HA SER 10 HA SER 10 -15.265 -13.786 -2.597 12 HB2 SER 10 2HB SER 10 -16.034 -14.869 -4.618 13 HB3 SER 10 1HB SER 10 -16.563 -15.822 -3.234 14 HG SER 10 HG SER 10 -18.601 -15.282 -3.615 15 H ALA 11 H ALA 11 -18.489 -12.404 -2.866 16 HA ALA 11 HA ALA 11 -18.192 -10.776 -5.084 17 HB1 ALA 11 1HB ALA 11 -19.655 -9.790 -2.665 18 HB2 ALA 11 2HB ALA 11 -20.252 -11.179 -3.575 19 HB3 ALA 11 3HB ALA 11 -20.068 -9.615 -4.370 20 H PHE 12 H PHE 12 -16.852 -10.371 -1.875 21 HA PHE 12 HA PHE 12 -15.839 -7.717 -2.630 22 HB2 PHE 12 2HB PHE 12 -16.575 -8.978 -0.053 23 HB3 PHE 12 1HB PHE 12 -15.168 -7.923 -0.024 24 HD1 PHE 12 1HD PHE 12 -15.394 -5.542 -0.649 25 HD2 PHE 12 2HD PHE 12 -18.775 -8.102 -0.275 26 HE1 PHE 12 1HE PHE 12 -16.864 -3.574 -0.507 27 HE2 PHE 12 2HE PHE 12 -20.250 -6.137 -0.135 28 HZ PHE 12 HZ PHE 12 -19.294 -3.869 -0.248 29 H VAL 13 H VAL 13 -14.827 -10.905 -1.456 30 HA VAL 13 HA VAL 13 -12.072 -10.246 -1.197 31 HB VAL 13 HB VAL 13 -13.225 -13.003 -1.638 32 HG11 VAL 13 1HG1 VAL 13 -10.837 -12.440 0.043 33 HG12 VAL 13 2HG1 VAL 13 -10.654 -12.395 -1.710 34 HG13 VAL 13 3HG1 VAL 13 -11.233 -13.862 -0.922 35 HG21 VAL 13 3HG2 VAL 13 -14.271 -12.794 0.314 36 HG22 VAL 13 1HG2 VAL 13 -13.593 -11.186 0.560 37 HG23 VAL 13 2HG2 VAL 13 -12.698 -12.609 1.089 38 H THR 14 H THR 14 -13.902 -11.928 -3.756 39 HA THR 14 HA THR 14 -11.721 -12.445 -5.444 40 HB THR 14 HB THR 14 -14.615 -11.983 -6.194 41 HG1 THR 14 1HG THR 14 -14.398 -13.696 -4.762 42 HG21 THR 14 3HG2 THR 14 -13.919 -13.675 -8.032 43 HG22 THR 14 1HG2 THR 14 -12.299 -13.036 -7.746 44 HG23 THR 14 2HG2 THR 14 -13.598 -11.955 -8.252 45 H LYS 15 H LYS 15 -13.910 -9.651 -5.269 46 HA LYS 15 HA LYS 15 -12.977 -8.276 -7.522 47 HB2 LYS 15 2HB LYS 15 -14.173 -7.269 -4.940 48 HB3 LYS 15 1HB LYS 15 -13.794 -6.210 -6.292 49 HG2 LYS 15 2HG LYS 15 -15.494 -8.599 -6.789 50 HG3 LYS 15 1HG LYS 15 -16.199 -7.206 -5.968 51 HD2 LYS 15 2HD LYS 15 -16.143 -5.916 -7.823 52 HD3 LYS 15 1HD LYS 15 -14.617 -6.605 -8.382 53 HE2 LYS 15 2HE LYS 15 -16.132 -8.740 -8.754 54 HE3 LYS 15 1HE LYS 15 -17.408 -7.528 -8.841 55 HZ1 LYS 15 3HZ LYS 15 -14.965 -7.162 -10.437 56 HZ2 LYS 15 1HZ LYS 15 -16.536 -6.612 -10.738 57 HZ3 LYS 15 2HZ LYS 15 -16.151 -8.241 -10.976 58 H ALA 16 H ALA 16 -11.732 -8.454 -4.240 59 HA ALA 16 HA ALA 16 -9.845 -6.353 -4.443 60 HB1 ALA 16 1HB ALA 16 -8.759 -7.447 -2.490 61 HB2 ALA 16 2HB ALA 16 -9.899 -8.781 -2.655 62 HB3 ALA 16 3HB ALA 16 -10.486 -7.164 -2.274 63 H GLU 17 H GLU 17 -9.545 -9.875 -4.881 64 HA GLU 17 HA GLU 17 -6.797 -9.877 -5.521 65 HB2 GLU 17 2HB GLU 17 -8.960 -11.842 -6.294 66 HB3 GLU 17 1HB GLU 17 -7.234 -12.125 -6.481 67 HG2 GLU 17 2HG GLU 17 -8.242 -11.389 -3.788 68 HG3 GLU 17 1HG GLU 17 -8.585 -13.008 -4.390 69 H GLU 18 H GLU 18 -9.683 -9.400 -7.467 70 HA GLU 18 HA GLU 18 -8.394 -9.618 -9.993 71 HB2 GLU 18 2HB GLU 18 -10.971 -8.263 -9.180 72 HB3 GLU 18 1HB GLU 18 -10.435 -8.439 -10.846 73 HG2 GLU 18 2HG GLU 18 -10.474 -10.938 -9.322 74 HG3 GLU 18 1HG GLU 18 -12.051 -10.179 -9.529 75 H MET 19 H MET 19 -8.920 -6.979 -7.723 76 HA MET 19 HA MET 19 -8.209 -4.864 -9.468 77 HB2 MET 19 2HB MET 19 -8.907 -5.170 -6.692 78 HB3 MET 19 1HB MET 19 -7.505 -4.118 -6.839 79 HG2 MET 19 2HG MET 19 -9.296 -2.656 -6.924 80 HG3 MET 19 1HG MET 19 -8.865 -2.877 -8.620 81 HE1 MET 19 3HE MET 19 -12.751 -2.396 -8.554 82 HE2 MET 19 1HE MET 19 -11.440 -2.218 -9.721 83 HE3 MET 19 2HE MET 19 -11.280 -1.533 -8.104 84 H ILE 20 H ILE 20 -6.322 -6.777 -7.132 85 HA ILE 20 HA ILE 20 -3.894 -5.373 -7.617 86 HB ILE 20 HB ILE 20 -2.838 -7.298 -6.416 87 HG12 ILE 20 2HG1 ILE 20 -5.651 -8.215 -5.854 88 HG13 ILE 20 1HG1 ILE 20 -4.671 -8.931 -7.130 89 HG21 ILE 20 1HG2 ILE 20 -5.167 -6.061 -4.972 90 HG22 ILE 20 2HG2 ILE 20 -3.641 -5.240 -5.300 91 HG23 ILE 20 3HG2 ILE 20 -3.671 -6.662 -4.258 92 HD11 ILE 20 3HD1 ILE 20 -4.785 -9.800 -4.562 93 HD12 ILE 20 1HD1 ILE 20 -3.339 -8.793 -4.536 94 HD13 ILE 20 2HD1 ILE 20 -3.464 -10.125 -5.685 95 H LYS 21 H LYS 21 -5.574 -7.808 -9.329 96 HA LYS 21 HA LYS 21 -3.461 -9.270 -10.444 97 HB2 LYS 21 2HB LYS 21 -6.110 -9.513 -10.569 98 HB3 LYS 21 1HB LYS 21 -5.863 -8.683 -12.100 99 HG2 LYS 21 2HG LYS 21 -4.933 -10.481 -13.074 100 HG3 LYS 21 1HG LYS 21 -4.068 -10.960 -11.612 101 HD2 LYS 21 2HD LYS 21 -6.262 -11.745 -10.683 102 HD3 LYS 21 1HD LYS 21 -6.971 -11.445 -12.272 103 HE2 LYS 21 2HE LYS 21 -4.628 -13.278 -11.775 104 HE3 LYS 21 1HE LYS 21 -6.303 -13.817 -11.868 105 HZ1 LYS 21 3HZ LYS 21 -5.725 -14.119 -14.019 106 HZ2 LYS 21 1HZ LYS 21 -4.513 -12.940 -13.995 107 HZ3 LYS 21 2HZ LYS 21 -6.135 -12.484 -14.145 108 H SER 22 H SER 22 -5.333 -6.644 -11.990 109 HA SER 22 HA SER 22 -3.234 -6.239 -13.947 110 HB2 SER 22 2HB SER 22 -6.037 -5.310 -13.603 111 HB3 SER 22 1HB SER 22 -4.948 -4.242 -14.489 112 HG SER 22 HG SER 22 -6.190 -6.085 -15.600 113 H HIS 23 H HIS 23 -4.173 -4.936 -10.908 114 HA HIS 23 HA HIS 23 -2.241 -2.749 -11.271 115 HB2 HIS 23 2HB HIS 23 -4.989 -2.700 -10.209 116 HB3 HIS 23 1HB HIS 23 -3.806 -1.860 -9.215 117 HD1 HIS 23 1HD HIS 23 -6.118 -0.461 -10.841 118 HD2 HIS 23 2HD HIS 23 -2.148 -0.763 -12.029 119 HE1 HIS 23 1HE HIS 23 -5.755 1.429 -12.460 120 HE2 HIS 23 2HE HIS 23 -3.317 1.287 -13.084 121 HA PRO 24 HA PRO 24 -0.912 -5.702 -7.882 122 HB2 PRO 24 2HB PRO 24 1.680 -5.852 -8.719 123 HB3 PRO 24 1HB PRO 24 0.408 -6.940 -9.282 124 HG2 PRO 24 2HG PRO 24 1.532 -4.499 -10.603 125 HG3 PRO 24 1HG PRO 24 1.138 -6.076 -11.315 126 HD2 PRO 24 2HD PRO 24 -0.502 -3.957 -11.566 127 HD3 PRO 24 1HD PRO 24 -1.124 -5.613 -11.408 128 H TYR 25 H TYR 25 0.250 -2.661 -9.152 129 HA TYR 25 HA TYR 25 1.837 -2.113 -6.773 130 HB2 TYR 25 2HB TYR 25 1.481 -0.816 -9.440 131 HB3 TYR 25 1HB TYR 25 2.027 0.176 -8.095 132 HD1 TYR 25 2HD TYR 25 2.855 -2.784 -10.155 133 HD2 TYR 25 1HD TYR 25 4.261 0.046 -7.305 134 HE1 TYR 25 2HE TYR 25 5.157 -3.565 -10.525 135 HE2 TYR 25 1HE TYR 25 6.566 -0.727 -7.668 136 HH TYR 25 HH TYR 25 7.383 -3.529 -9.016 137 H PHE 26 H PHE 26 -0.272 -2.348 -5.533 138 HA PHE 26 HA PHE 26 -1.805 0.162 -5.563 139 HB2 PHE 26 2HB PHE 26 -2.818 -2.310 -5.752 140 HB3 PHE 26 1HB PHE 26 -2.763 -2.179 -3.998 141 HD1 PHE 26 1HD PHE 26 -3.582 0.308 -6.664 142 HD2 PHE 26 2HD PHE 26 -4.895 -1.830 -3.223 143 HE1 PHE 26 1HE PHE 26 -5.696 1.567 -6.690 144 HE2 PHE 26 2HE PHE 26 -7.010 -0.573 -3.246 145 HZ PHE 26 HZ PHE 26 -7.413 1.126 -4.980 146 H GLN 27 H GLN 27 -1.978 1.416 -3.761 147 HA GLN 27 HA GLN 27 -0.765 0.487 -1.260 148 HB2 GLN 27 2HB GLN 27 0.887 1.792 -2.727 149 HB3 GLN 27 1HB GLN 27 -0.105 3.201 -2.389 150 HG2 GLN 27 2HG GLN 27 0.260 2.678 0.070 151 HG3 GLN 27 1HG GLN 27 1.507 1.554 -0.471 152 HE21 GLN 27 1HE2 GLN 27 2.557 3.275 1.068 153 HE22 GLN 27 2HE2 GLN 27 3.344 4.576 0.248 154 H LEU 28 H LEU 28 -2.299 0.723 0.235 155 HA LEU 28 HA LEU 28 -4.235 2.909 -0.044 156 HB2 LEU 28 2HB LEU 28 -4.271 0.292 1.409 157 HB3 LEU 28 1HB LEU 28 -5.369 1.577 1.873 158 HG LEU 28 HG LEU 28 -6.010 1.588 -0.660 159 HD11 LEU 28 1HD1 LEU 28 -4.492 0.149 -1.651 160 HD12 LEU 28 2HD1 LEU 28 -5.916 -0.870 -1.446 161 HD13 LEU 28 3HD1 LEU 28 -4.564 -1.009 -0.323 162 HD21 LEU 28 3HD2 LEU 28 -7.789 1.020 0.607 163 HD22 LEU 28 1HD2 LEU 28 -6.874 -0.139 1.571 164 HD23 LEU 28 2HD2 LEU 28 -7.453 -0.587 -0.033 165 H SER 29 H SER 29 -4.542 4.450 1.497 166 HA SER 29 HA SER 29 -3.055 4.304 3.998 167 HB2 SER 29 2HB SER 29 -2.767 6.928 2.685 168 HB3 SER 29 1HB SER 29 -1.594 5.991 3.610 169 HG SER 29 HG SER 29 -0.810 5.904 1.598 170 H ALA 30 H ALA 30 -3.897 5.563 5.649 171 HA ALA 30 HA ALA 30 -6.636 6.441 5.251 172 HB1 ALA 30 1HB ALA 30 -6.939 6.098 7.464 173 HB2 ALA 30 2HB ALA 30 -5.372 6.780 7.897 174 HB3 ALA 30 3HB ALA 30 -5.479 5.126 7.294 175 H SER 31 H SER 31 -7.076 8.464 6.920 176 HA SER 31 HA SER 31 -5.255 10.606 6.039 177 HB2 SER 31 2HB SER 31 -7.803 10.353 5.162 178 HB3 SER 31 1HB SER 31 -8.070 11.335 6.601 179 HG SER 31 HG SER 31 -7.668 12.619 4.751 180 H TRP 32 H TRP 32 -4.624 9.445 8.357 181 HA TRP 32 HA TRP 32 -5.076 11.571 10.262 182 HB2 TRP 32 2HB TRP 32 -6.588 9.139 10.443 183 HB3 TRP 32 1HB TRP 32 -5.481 9.226 11.809 184 HD1 TRP 32 HD TRP 32 -5.562 12.201 12.611 185 HE1 TRP 32 1HE TRP 32 -7.718 13.296 13.495 186 HE3 TRP 32 3HE TRP 32 -8.988 8.937 10.672 187 HZ2 TRP 32 2HZ TRP 32 -10.501 12.837 13.384 188 HZ3 TRP 32 3HZ TRP 32 -11.375 9.336 11.108 189 HH2 TRP 32 HH TRP 32 -12.115 11.246 12.435 190 H CYS 33 H CYS 33 -3.715 8.299 9.833 191 HA CYS 33 HA CYS 33 -1.650 8.637 11.752 192 HB2 CYS 33 2HB CYS 33 -2.468 6.425 11.007 193 HB3 CYS 33 1HB CYS 33 -1.769 6.714 9.418 194 HG CYS 33 HG CYS 33 -0.293 5.317 11.366 195 HA PRO 34 HA PRO 34 1.146 11.213 9.445 196 HB2 PRO 34 2HB PRO 34 3.415 10.675 10.874 197 HB3 PRO 34 1HB PRO 34 2.148 11.777 11.422 198 HG2 PRO 34 2HG PRO 34 2.627 8.919 12.168 199 HG3 PRO 34 1HG PRO 34 2.182 10.287 13.204 200 HD2 PRO 34 2HD PRO 34 0.370 8.471 12.386 201 HD3 PRO 34 1HD PRO 34 -0.047 10.184 12.603 202 H ASP 35 H ASP 35 1.974 7.829 10.140 203 HA ASP 35 HA ASP 35 4.133 7.565 8.376 204 HB2 ASP 35 2HB ASP 35 2.300 5.732 9.767 205 HB3 ASP 35 1HB ASP 35 2.973 5.092 8.274 206 H CYS 36 H CYS 36 0.678 7.536 7.797 207 HA CYS 36 HA CYS 36 0.769 6.444 5.177 208 HB2 CYS 36 2HB CYS 36 -1.320 8.233 6.438 209 HB3 CYS 36 1HB CYS 36 -1.531 7.293 4.965 210 HG CYS 36 HG CYS 36 -2.376 6.228 7.416 211 H VAL 37 H VAL 37 0.304 9.807 6.298 212 HA VAL 37 HA VAL 37 0.435 10.980 3.756 213 HB VAL 37 HB VAL 37 -0.432 12.185 5.701 214 HG11 VAL 37 1HG1 VAL 37 1.103 13.184 7.339 215 HG12 VAL 37 2HG1 VAL 37 2.439 12.286 6.616 216 HG13 VAL 37 3HG1 VAL 37 1.116 11.422 7.398 217 HG21 VAL 37 3HG2 VAL 37 1.909 13.792 4.767 218 HG22 VAL 37 1HG2 VAL 37 0.235 14.288 5.014 219 HG23 VAL 37 2HG2 VAL 37 0.664 13.294 3.622 220 H TYR 38 H TYR 38 2.971 10.103 6.044 221 HA TYR 38 HA TYR 38 5.126 11.449 4.828 222 HB2 TYR 38 2HB TYR 38 5.271 10.478 7.081 223 HB3 TYR 38 1HB TYR 38 5.135 8.861 6.401 224 HD1 TYR 38 2HD TYR 38 7.014 7.909 5.087 225 HD2 TYR 38 1HD TYR 38 7.350 11.670 7.053 226 HE1 TYR 38 2HE TYR 38 9.462 7.796 4.877 227 HE2 TYR 38 1HE TYR 38 9.798 11.565 6.846 228 HH TYR 38 HH TYR 38 11.533 9.372 6.581 229 H ALA 39 H ALA 39 3.829 8.175 4.360 230 HA ALA 39 HA ALA 39 5.724 7.238 2.532 231 HB1 ALA 39 1HB ALA 39 2.992 6.471 3.322 232 HB2 ALA 39 2HB ALA 39 4.448 5.489 3.154 233 HB3 ALA 39 3HB ALA 39 3.509 5.926 1.727 234 H ASN 40 H ASN 40 2.763 9.112 2.000 235 HA ASN 40 HA ASN 40 2.956 9.017 -0.854 236 HB2 ASN 40 2HB ASN 40 1.199 10.366 1.128 237 HB3 ASN 40 1HB ASN 40 1.310 11.097 -0.471 238 HD21 ASN 40 1HD2 ASN 40 0.464 8.192 1.291 239 HD22 ASN 40 2HD2 ASN 40 -0.551 7.518 0.068 240 H SER 41 H SER 41 4.149 11.110 1.668 241 HA SER 41 HA SER 41 4.715 13.381 0.121 242 HB2 SER 41 2HB SER 41 5.561 12.334 2.762 243 HB3 SER 41 1HB SER 41 6.638 13.514 2.017 244 HG SER 41 HG SER 41 4.992 14.990 1.983 245 H ILE 42 H ILE 42 6.689 10.537 0.917 246 HA ILE 42 HA ILE 42 9.019 11.407 -0.436 247 HB ILE 42 HB ILE 42 8.216 8.544 0.089 248 HG12 ILE 42 2HG1 ILE 42 8.092 9.885 2.156 249 HG13 ILE 42 1HG1 ILE 42 9.422 8.738 2.208 250 HG21 ILE 42 1HG2 ILE 42 10.984 9.708 -0.068 251 HG22 ILE 42 2HG2 ILE 42 10.146 9.042 -1.469 252 HG23 ILE 42 3HG2 ILE 42 10.509 8.010 -0.087 253 HD11 ILE 42 3HD1 ILE 42 10.161 10.809 3.128 254 HD12 ILE 42 1HD1 ILE 42 9.597 11.696 1.712 255 HD13 ILE 42 2HD1 ILE 42 10.957 10.581 1.570 256 H TRP 43 H TRP 43 6.290 9.370 -1.435 257 HA TRP 43 HA TRP 43 7.340 8.716 -3.986 258 HB2 TRP 43 2HB TRP 43 4.791 8.364 -2.561 259 HB3 TRP 43 1HB TRP 43 4.629 8.502 -4.308 260 HD1 TRP 43 HD TRP 43 4.350 6.111 -5.194 261 HE1 TRP 43 1HE TRP 43 5.570 3.869 -4.857 262 HE3 TRP 43 3HE TRP 43 7.657 7.513 -1.548 263 HZ2 TRP 43 2HZ TRP 43 7.655 2.834 -3.266 264 HZ3 TRP 43 3HZ TRP 43 9.229 5.834 -0.675 265 HH2 TRP 43 HH TRP 43 9.226 3.543 -1.517 266 H ASN 44 H ASN 44 5.355 11.372 -2.795 267 HA ASN 44 HA ASN 44 4.648 12.423 -5.341 268 HB2 ASN 44 2HB ASN 44 3.573 12.904 -3.042 269 HB3 ASN 44 1HB ASN 44 4.869 14.076 -2.835 270 HD21 ASN 44 1HD2 ASN 44 5.048 15.778 -4.439 271 HD22 ASN 44 2HD2 ASN 44 3.620 16.347 -5.226 272 H LYS 45 H LYS 45 7.414 12.836 -3.223 273 HA LYS 45 HA LYS 45 8.457 15.110 -4.637 274 HB2 LYS 45 2HB LYS 45 8.870 14.142 -2.145 275 HB3 LYS 45 1HB LYS 45 10.280 13.484 -2.967 276 HG2 LYS 45 2HG LYS 45 10.606 15.908 -3.822 277 HG3 LYS 45 1HG LYS 45 9.524 16.338 -2.494 278 HD2 LYS 45 2HD LYS 45 12.044 14.711 -2.160 279 HD3 LYS 45 1HD LYS 45 11.963 16.458 -1.938 280 HE2 LYS 45 2HE LYS 45 10.186 14.554 -0.432 281 HE3 LYS 45 1HE LYS 45 11.783 15.018 0.153 282 HZ1 LYS 45 3HZ LYS 45 11.121 17.207 0.461 283 HZ2 LYS 45 1HZ LYS 45 9.762 16.333 0.964 284 HZ3 LYS 45 2HZ LYS 45 9.778 17.068 -0.558 285 H LEU 46 H LEU 46 8.810 11.633 -4.794 286 HA LEU 46 HA LEU 46 11.131 11.729 -6.484 287 HB2 LEU 46 2HB LEU 46 9.366 9.570 -5.428 288 HB3 LEU 46 1HB LEU 46 10.406 9.220 -6.795 289 HG LEU 46 HG LEU 46 11.445 10.328 -4.191 290 HD11 LEU 46 1HD1 LEU 46 11.207 7.460 -5.090 291 HD12 LEU 46 2HD1 LEU 46 10.430 8.206 -3.695 292 HD13 LEU 46 3HD1 LEU 46 12.182 8.008 -3.726 293 HD21 LEU 46 3HD2 LEU 46 13.157 10.697 -5.634 294 HD22 LEU 46 1HD2 LEU 46 12.631 9.444 -6.758 295 HD23 LEU 46 2HD2 LEU 46 13.489 9.001 -5.282 296 H ASN 47 H ASN 47 7.884 12.320 -7.057 297 HA ASN 47 HA ASN 47 6.588 12.459 -8.911 298 HB2 ASN 47 2HB ASN 47 8.490 13.876 -9.627 299 HB3 ASN 47 1HB ASN 47 9.249 12.456 -10.336 300 HD21 ASN 47 1HD2 ASN 47 8.940 12.209 -12.435 301 HD22 ASN 47 2HD2 ASN 47 7.608 12.826 -13.344 302 H VAL 48 H VAL 48 6.698 9.935 -7.957 303 HA VAL 48 HA VAL 48 6.822 8.290 -10.402 304 HB VAL 48 HB VAL 48 7.235 6.324 -8.892 305 HG11 VAL 48 1HG1 VAL 48 8.989 7.969 -10.094 306 HG12 VAL 48 2HG1 VAL 48 9.460 6.518 -9.211 307 HG13 VAL 48 3HG1 VAL 48 9.546 8.096 -8.426 308 HG21 VAL 48 3HG2 VAL 48 7.988 6.640 -6.652 309 HG22 VAL 48 1HG2 VAL 48 6.452 7.490 -6.815 310 HG23 VAL 48 2HG2 VAL 48 7.964 8.395 -6.829 311 H GLN 49 H GLN 49 4.573 9.826 -9.359 312 HA GLN 49 HA GLN 49 2.743 8.014 -8.112 313 HB2 GLN 49 2HB GLN 49 2.857 10.755 -8.455 314 HB3 GLN 49 1HB GLN 49 1.531 10.274 -9.503 315 HG2 GLN 49 2HG GLN 49 0.318 10.496 -7.630 316 HG3 GLN 49 1HG GLN 49 0.908 8.868 -7.302 317 HE21 GLN 49 1HE2 GLN 49 3.255 8.988 -6.283 318 HE22 GLN 49 2HE2 GLN 49 3.365 10.042 -4.920 319 H ASP 50 H ASP 50 3.732 8.591 -11.347 320 HA ASP 50 HA ASP 50 1.318 7.537 -12.565 321 HB2 ASP 50 2HB ASP 50 3.997 8.167 -13.833 322 HB3 ASP 50 1HB ASP 50 2.495 7.836 -14.687 323 H LYS 51 H LYS 51 4.564 6.453 -11.756 324 HA LYS 51 HA LYS 51 4.385 3.965 -13.155 325 HB2 LYS 51 2HB LYS 51 6.270 4.898 -10.982 326 HB3 LYS 51 1HB LYS 51 6.442 3.387 -11.864 327 HG2 LYS 51 2HG LYS 51 6.250 5.226 -13.888 328 HG3 LYS 51 1HG LYS 51 7.143 6.107 -12.647 329 HD2 LYS 51 2HD LYS 51 8.356 3.651 -12.604 330 HD3 LYS 51 1HD LYS 51 7.967 3.846 -14.315 331 HE2 LYS 51 2HE LYS 51 9.054 6.096 -14.219 332 HE3 LYS 51 1HE LYS 51 9.574 5.716 -12.578 333 HZ1 LYS 51 3HZ LYS 51 10.498 3.584 -13.804 334 HZ2 LYS 51 1HZ LYS 51 11.389 5.020 -13.720 335 HZ3 LYS 51 2HZ LYS 51 10.527 4.644 -15.125 336 H VAL 52 H VAL 52 3.403 5.077 -10.004 337 HA VAL 52 HA VAL 52 2.687 2.313 -9.256 338 HB VAL 52 HB VAL 52 3.196 4.583 -7.325 339 HG11 VAL 52 1HG1 VAL 52 1.828 2.941 -6.314 340 HG12 VAL 52 2HG1 VAL 52 3.463 2.642 -5.728 341 HG13 VAL 52 3HG1 VAL 52 2.782 1.623 -6.994 342 HG21 VAL 52 3HG2 VAL 52 5.348 3.433 -6.836 343 HG22 VAL 52 1HG2 VAL 52 5.278 4.156 -8.441 344 HG23 VAL 52 2HG2 VAL 52 5.077 2.414 -8.249 345 H PHE 53 H PHE 53 0.703 2.144 -7.901 346 HA PHE 53 HA PHE 53 -1.207 4.304 -8.477 347 HB2 PHE 53 2HB PHE 53 -1.355 1.811 -9.568 348 HB3 PHE 53 1HB PHE 53 -2.313 1.589 -8.107 349 HD1 PHE 53 2HD PHE 53 -4.294 3.074 -7.713 350 HD2 PHE 53 1HD PHE 53 -2.204 2.989 -11.420 351 HE1 PHE 53 2HE PHE 53 -6.223 4.126 -8.821 352 HE2 PHE 53 1HE PHE 53 -4.129 4.042 -12.532 353 HZ PHE 53 HZ PHE 53 -6.143 4.611 -11.234 354 H VAL 54 H VAL 54 -1.637 5.299 -6.673 355 HA VAL 54 HA VAL 54 -1.883 3.754 -4.177 356 HB VAL 54 HB VAL 54 -0.092 5.417 -4.119 357 HG11 VAL 54 1HG1 VAL 54 -0.790 7.081 -5.642 358 HG12 VAL 54 2HG1 VAL 54 -0.766 7.856 -4.059 359 HG13 VAL 54 3HG1 VAL 54 -2.299 7.353 -4.771 360 HG21 VAL 54 3HG2 VAL 54 -0.916 6.705 -2.099 361 HG22 VAL 54 1HG2 VAL 54 -1.038 4.949 -2.015 362 HG23 VAL 54 2HG2 VAL 54 -2.471 5.919 -2.355 363 H PHE 55 H PHE 55 -3.658 3.972 -2.888 364 HA PHE 55 HA PHE 55 -5.842 5.676 -3.888 365 HB2 PHE 55 2HB PHE 55 -5.963 3.049 -4.189 366 HB3 PHE 55 1HB PHE 55 -6.472 3.104 -2.505 367 HD1 PHE 55 2HD PHE 55 -8.455 4.600 -1.916 368 HD2 PHE 55 1HD PHE 55 -7.481 3.468 -5.901 369 HE1 PHE 55 2HE PHE 55 -10.749 5.137 -2.626 370 HE2 PHE 55 1HE PHE 55 -9.771 4.005 -6.617 371 HZ PHE 55 HZ PHE 55 -11.409 4.839 -4.979 372 H ASP 56 H ASP 56 -6.584 7.081 -2.454 373 HA ASP 56 HA ASP 56 -5.766 6.853 0.332 374 HB2 ASP 56 2HB ASP 56 -6.401 9.023 -1.487 375 HB3 ASP 56 1HB ASP 56 -7.263 9.194 0.037 376 H ILE 57 H ILE 57 -7.170 6.809 2.077 377 HA ILE 57 HA ILE 57 -9.960 6.108 1.426 378 HB ILE 57 HB ILE 57 -8.469 5.292 3.917 379 HG12 ILE 57 2HG1 ILE 57 -9.034 3.507 1.552 380 HG13 ILE 57 1HG1 ILE 57 -7.524 4.400 1.701 381 HG21 ILE 57 1HG2 ILE 57 -11.050 4.337 2.681 382 HG22 ILE 57 2HG2 ILE 57 -10.879 5.294 4.153 383 HG23 ILE 57 3HG2 ILE 57 -10.286 3.635 4.105 384 HD11 ILE 57 3HD1 ILE 57 -7.794 1.913 2.552 385 HD12 ILE 57 1HD1 ILE 57 -8.353 2.739 4.005 386 HD13 ILE 57 2HD1 ILE 57 -6.746 3.076 3.363 387 H GLY 58 H GLY 58 -10.550 8.351 1.476 388 HA2 GLY 58 2HA GLY 58 -10.878 9.347 4.231 389 HA3 GLY 58 1HA GLY 58 -10.333 10.420 2.952 390 H SER 59 H SER 59 -12.687 7.992 2.169 391 HA SER 59 HA SER 59 -14.936 9.778 2.595 392 HB2 SER 59 2HB SER 59 -13.763 9.233 -0.086 393 HB3 SER 59 1HB SER 59 -15.522 9.225 0.038 394 HG SER 59 HG SER 59 -14.596 11.309 -0.439 395 H LEU 60 H LEU 60 -14.000 7.049 3.425 396 HA LEU 60 HA LEU 60 -16.513 5.766 3.380 397 HB2 LEU 60 2HB LEU 60 -15.784 3.719 2.113 398 HB3 LEU 60 1HB LEU 60 -16.079 5.146 1.140 399 HG LEU 60 HG LEU 60 -13.318 5.132 1.827 400 HD11 LEU 60 1HD1 LEU 60 -13.271 2.833 2.236 401 HD12 LEU 60 2HD1 LEU 60 -12.760 2.990 0.557 402 HD13 LEU 60 3HD1 LEU 60 -14.406 2.486 0.933 403 HD21 LEU 60 3HD2 LEU 60 -14.384 6.148 -0.154 404 HD22 LEU 60 1HD2 LEU 60 -14.682 4.531 -0.794 405 HD23 LEU 60 2HD2 LEU 60 -13.028 5.102 -0.571 406 HA PRO 61 HA PRO 61 -13.398 4.203 6.484 407 HB2 PRO 61 2HB PRO 61 -13.810 5.782 8.577 408 HB3 PRO 61 1HB PRO 61 -12.848 6.343 7.203 409 HG2 PRO 61 2HG PRO 61 -15.673 6.991 7.930 410 HG3 PRO 61 1HG PRO 61 -14.420 8.041 7.246 411 HD2 PRO 61 2HD PRO 61 -16.457 6.750 5.813 412 HD3 PRO 61 1HD PRO 61 -15.000 7.489 5.123 413 H ARG 62 H ARG 62 -13.768 3.016 8.420 414 HA ARG 62 HA ARG 62 -14.880 1.640 9.819 415 HB2 ARG 62 2HB ARG 62 -16.272 4.095 9.928 416 HB3 ARG 62 1HB ARG 62 -17.484 2.823 9.913 417 HG2 ARG 62 2HG ARG 62 -15.550 1.946 11.715 418 HG3 ARG 62 1HG ARG 62 -15.731 3.671 12.035 419 HD2 ARG 62 2HD ARG 62 -17.496 3.099 13.273 420 HD3 ARG 62 1HD ARG 62 -18.330 2.827 11.747 421 HE ARG 62 HE ARG 62 -17.234 0.796 13.534 422 HH11 ARG 62 1HH1 ARG 62 -18.836 1.542 10.503 423 HH12 ARG 62 2HH1 ARG 62 -19.373 -0.083 10.249 424 HH21 ARG 62 1HH2 ARG 62 -17.951 -1.342 13.183 425 HH22 ARG 62 2HH2 ARG 62 -18.872 -1.716 11.764 426 H ASN 63 H ASN 63 -17.689 2.681 7.871 427 HA ASN 63 HA ASN 63 -18.789 0.136 7.659 428 HB2 ASN 63 2HB ASN 63 -19.814 2.459 7.129 429 HB3 ASN 63 1HB ASN 63 -19.186 2.190 5.504 430 HD21 ASN 63 1HD2 ASN 63 -21.399 1.049 7.952 431 HD22 ASN 63 2HD2 ASN 63 -22.389 0.106 6.896 432 H GLU 64 H GLU 64 -16.799 1.873 5.259 433 HA GLU 64 HA GLU 64 -16.691 -0.469 3.566 434 HB2 GLU 64 2HB GLU 64 -16.056 2.348 3.306 435 HB3 GLU 64 1HB GLU 64 -14.763 1.342 2.667 436 HG2 GLU 64 2HG GLU 64 -16.422 1.983 0.969 437 HG3 GLU 64 1HG GLU 64 -16.283 0.238 1.171 438 H GLN 65 H GLN 65 -14.736 1.034 6.024 439 HA GLN 65 HA GLN 65 -12.273 -0.197 5.414 440 HB2 GLN 65 2HB GLN 65 -13.439 1.147 7.799 441 HB3 GLN 65 1HB GLN 65 -12.019 0.143 8.042 442 HG2 GLN 65 2HG GLN 65 -10.948 1.473 6.167 443 HG3 GLN 65 1HG GLN 65 -12.293 2.597 6.346 444 HE21 GLN 65 1HE2 GLN 65 -9.523 3.154 6.752 445 HE22 GLN 65 2HE2 GLN 65 -9.331 3.624 8.404 446 H GLU 66 H GLU 66 -14.993 -1.197 7.479 447 HA GLU 66 HA GLU 66 -13.770 -3.452 8.611 448 HB2 GLU 66 2HB GLU 66 -16.084 -4.313 8.966 449 HB3 GLU 66 1HB GLU 66 -15.843 -2.672 9.537 450 HG2 GLU 66 2HG GLU 66 -17.187 -1.763 7.916 451 HG3 GLU 66 1HG GLU 66 -16.939 -3.101 6.802 452 H LYS 67 H LYS 67 -15.522 -3.065 5.561 453 HA LYS 67 HA LYS 67 -15.436 -5.838 4.881 454 HB2 LYS 67 2HB LYS 67 -16.060 -3.328 3.342 455 HB3 LYS 67 1HB LYS 67 -15.953 -4.886 2.534 456 HG2 LYS 67 2HG LYS 67 -17.833 -5.713 3.582 457 HG3 LYS 67 1HG LYS 67 -17.710 -4.577 4.926 458 HD2 LYS 67 2HD LYS 67 -18.103 -2.801 3.017 459 HD3 LYS 67 1HD LYS 67 -18.832 -4.183 2.196 460 HE2 LYS 67 2HE LYS 67 -20.209 -4.544 4.277 461 HE3 LYS 67 1HE LYS 67 -19.615 -2.983 4.843 462 HZ1 LYS 67 3HZ LYS 67 -21.332 -3.546 2.500 463 HZ2 LYS 67 1HZ LYS 67 -20.509 -2.076 2.669 464 HZ3 LYS 67 2HZ LYS 67 -21.657 -2.541 3.821 465 H TRP 68 H TRP 68 -13.498 -2.999 3.966 466 HA TRP 68 HA TRP 68 -11.803 -4.314 2.145 467 HB2 TRP 68 2HB TRP 68 -12.032 -1.710 3.254 468 HB3 TRP 68 1HB TRP 68 -10.369 -2.233 3.495 469 HD1 TRP 68 HD TRP 68 -9.145 -0.868 1.667 470 HE1 TRP 68 1HE TRP 68 -9.300 -0.729 -0.898 471 HE3 TRP 68 3HE TRP 68 -13.402 -3.615 0.952 472 HZ2 TRP 68 2HZ TRP 68 -10.995 -1.659 -2.951 473 HZ3 TRP 68 3HZ TRP 68 -14.221 -3.940 -1.345 474 HH2 TRP 68 HH TRP 68 -13.042 -2.981 -3.256 475 H ARG 69 H ARG 69 -11.698 -3.991 5.646 476 HA ARG 69 HA ARG 69 -9.062 -4.897 6.046 477 HB2 ARG 69 2HB ARG 69 -11.500 -4.667 7.753 478 HB3 ARG 69 1HB ARG 69 -10.168 -5.650 8.342 479 HG2 ARG 69 2HG ARG 69 -8.741 -3.536 7.758 480 HG3 ARG 69 1HG ARG 69 -10.298 -2.713 7.877 481 HD2 ARG 69 2HD ARG 69 -10.600 -3.618 10.133 482 HD3 ARG 69 1HD ARG 69 -9.045 -4.439 10.013 483 HE ARG 69 HE ARG 69 -9.494 -1.684 10.624 484 HH11 ARG 69 1HH1 ARG 69 -7.216 -3.906 9.162 485 HH12 ARG 69 2HH1 ARG 69 -5.843 -2.900 9.474 486 HH21 ARG 69 1HH2 ARG 69 -7.678 -0.363 11.037 487 HH22 ARG 69 2HH2 ARG 69 -6.105 -0.889 10.542 488 H ILE 70 H ILE 70 -12.166 -6.658 6.136 489 HA ILE 70 HA ILE 70 -11.098 -9.194 6.686 490 HB ILE 70 HB ILE 70 -13.591 -8.623 5.074 491 HG12 ILE 70 2HG1 ILE 70 -13.740 -9.272 7.971 492 HG13 ILE 70 1HG1 ILE 70 -13.178 -7.657 7.556 493 HG21 ILE 70 1HG2 ILE 70 -12.784 -10.946 4.974 494 HG22 ILE 70 2HG2 ILE 70 -14.331 -10.809 5.810 495 HG23 ILE 70 3HG2 ILE 70 -12.846 -11.028 6.734 496 HD11 ILE 70 3HD1 ILE 70 -15.833 -8.920 7.032 497 HD12 ILE 70 1HD1 ILE 70 -15.280 -7.543 6.079 498 HD13 ILE 70 2HD1 ILE 70 -15.458 -7.391 7.826 499 H ALA 71 H ALA 71 -11.590 -7.489 3.633 500 HA ALA 71 HA ALA 71 -10.984 -9.678 1.936 501 HB1 ALA 71 1HB ALA 71 -10.576 -6.790 1.214 502 HB2 ALA 71 2HB ALA 71 -12.176 -7.526 1.308 503 HB3 ALA 71 3HB ALA 71 -10.989 -8.140 0.159 504 H PHE 72 H PHE 72 -9.008 -6.859 2.916 505 HA PHE 72 HA PHE 72 -6.643 -7.713 1.673 506 HB2 PHE 72 2HB PHE 72 -7.334 -5.715 3.753 507 HB3 PHE 72 1HB PHE 72 -5.652 -6.234 3.692 508 HD1 PHE 72 2HD PHE 72 -4.459 -6.094 1.426 509 HD2 PHE 72 1HD PHE 72 -8.116 -4.089 2.282 510 HE1 PHE 72 2HE PHE 72 -4.049 -4.552 -0.446 511 HE2 PHE 72 1HE PHE 72 -7.710 -2.547 0.408 512 HZ PHE 72 HZ PHE 72 -5.675 -2.778 -0.957 513 H GLN 73 H GLN 73 -7.970 -8.422 4.865 514 HA GLN 73 HA GLN 73 -5.668 -9.656 5.945 515 HB2 GLN 73 2HB GLN 73 -8.574 -9.645 6.598 516 HB3 GLN 73 1HB GLN 73 -7.581 -10.909 7.308 517 HG2 GLN 73 2HG GLN 73 -6.182 -9.299 8.385 518 HG3 GLN 73 1HG GLN 73 -6.974 -7.972 7.535 519 HE21 GLN 73 1HE2 GLN 73 -8.879 -7.178 8.286 520 HE22 GLN 73 2HE2 GLN 73 -9.622 -7.693 9.757 521 H LYS 74 H LYS 74 -8.217 -10.807 3.833 522 HA LYS 74 HA LYS 74 -7.526 -13.581 4.120 523 HB2 LYS 74 2HB LYS 74 -9.722 -12.180 3.184 524 HB3 LYS 74 1HB LYS 74 -9.024 -12.861 1.727 525 HG2 LYS 74 2HG LYS 74 -10.038 -14.775 2.188 526 HG3 LYS 74 1HG LYS 74 -9.024 -14.930 3.623 527 HD2 LYS 74 2HD LYS 74 -10.740 -13.434 4.786 528 HD3 LYS 74 1HD LYS 74 -11.781 -13.752 3.398 529 HE2 LYS 74 2HE LYS 74 -10.992 -16.266 4.035 530 HE3 LYS 74 1HE LYS 74 -11.000 -15.509 5.627 531 HZ1 LYS 74 3HZ LYS 74 -13.324 -15.058 3.911 532 HZ2 LYS 74 1HZ LYS 74 -13.238 -15.241 5.591 533 HZ3 LYS 74 2HZ LYS 74 -13.150 -16.597 4.586 534 H VAL 75 H VAL 75 -6.632 -10.938 2.015 535 HA VAL 75 HA VAL 75 -5.411 -12.637 0.035 536 HB VAL 75 HB VAL 75 -5.096 -9.649 0.357 537 HG11 VAL 75 1HG1 VAL 75 -3.400 -10.722 -1.059 538 HG12 VAL 75 2HG1 VAL 75 -4.473 -9.685 -1.998 539 HG13 VAL 75 3HG1 VAL 75 -4.679 -11.436 -2.040 540 HG21 VAL 75 3HG2 VAL 75 -7.479 -10.768 0.001 541 HG22 VAL 75 1HG2 VAL 75 -6.923 -10.816 -1.672 542 HG23 VAL 75 2HG2 VAL 75 -7.015 -9.276 -0.817 543 H VAL 76 H VAL 76 -4.270 -10.495 2.652 544 HA VAL 76 HA VAL 76 -1.672 -11.855 2.440 545 HB VAL 76 HB VAL 76 -0.654 -9.709 3.361 546 HG11 VAL 76 1HG1 VAL 76 -1.769 -9.898 0.573 547 HG12 VAL 76 2HG1 VAL 76 -0.164 -10.359 1.141 548 HG13 VAL 76 3HG1 VAL 76 -0.617 -8.658 1.068 549 HG21 VAL 76 3HG2 VAL 76 -3.251 -8.553 2.341 550 HG22 VAL 76 1HG2 VAL 76 -1.842 -7.632 2.867 551 HG23 VAL 76 2HG2 VAL 76 -2.737 -8.612 4.027 552 H GLY 77 H GLY 77 -3.948 -10.221 4.617 553 HA2 GLY 77 2HA GLY 77 -4.506 -10.987 6.774 554 HA3 GLY 77 1HA GLY 77 -3.063 -11.989 6.766 555 H SER 78 H SER 78 -3.193 -8.538 6.014 556 HA SER 78 HA SER 78 -1.511 -8.051 8.379 557 HB2 SER 78 2HB SER 78 -0.546 -7.640 6.038 558 HB3 SER 78 1HB SER 78 -1.652 -6.269 5.947 559 HG SER 78 HG SER 78 0.000 -5.302 6.864 560 H ARG 79 H ARG 79 -2.798 -7.334 9.964 561 HA ARG 79 HA ARG 79 -4.997 -5.515 9.350 562 HB2 ARG 79 2HB ARG 79 -4.188 -6.853 11.940 563 HB3 ARG 79 1HB ARG 79 -5.597 -5.819 11.745 564 HG2 ARG 79 2HG ARG 79 -6.805 -7.530 11.039 565 HG3 ARG 79 1HG ARG 79 -5.650 -7.856 9.746 566 HD2 ARG 79 2HD ARG 79 -5.296 -9.792 10.807 567 HD3 ARG 79 1HD ARG 79 -4.339 -8.833 11.935 568 HE ARG 79 HE ARG 79 -6.825 -8.651 12.962 569 HH11 ARG 79 1HH1 ARG 79 -4.889 -11.390 11.949 570 HH12 ARG 79 2HH1 ARG 79 -5.618 -12.478 13.079 571 HH21 ARG 79 1HH2 ARG 79 -7.777 -10.095 14.454 572 HH22 ARG 79 2HH2 ARG 79 -7.254 -11.745 14.499 573 H ASN 80 H ASN 80 -2.366 -4.501 8.961 574 HA ASN 80 HA ASN 80 -2.337 -2.375 11.002 575 HB2 ASN 80 2HB ASN 80 -0.443 -4.097 11.198 576 HB3 ASN 80 1HB ASN 80 0.174 -3.418 9.697 577 HD21 ASN 80 1HD2 ASN 80 1.663 -3.397 12.005 578 HD22 ASN 80 2HD2 ASN 80 1.839 -1.771 12.561 579 H LEU 81 H LEU 81 -2.816 -0.494 10.073 580 HA LEU 81 HA LEU 81 -2.196 -0.090 7.231 581 HB2 LEU 81 2HB LEU 81 -4.247 0.974 9.097 582 HB3 LEU 81 1HB LEU 81 -3.677 2.063 7.846 583 HG LEU 81 HG LEU 81 -4.491 -0.651 6.970 584 HD11 LEU 81 1HD1 LEU 81 -6.581 1.428 7.550 585 HD12 LEU 81 2HD1 LEU 81 -6.197 0.128 8.678 586 HD13 LEU 81 3HD1 LEU 81 -6.806 -0.255 7.069 587 HD21 LEU 81 3HD2 LEU 81 -3.945 0.578 5.143 588 HD22 LEU 81 1HD2 LEU 81 -4.368 2.110 5.908 589 HD23 LEU 81 2HD2 LEU 81 -5.636 1.062 5.277 590 HA PRO 82 HA PRO 82 -2.178 1.763 5.857 591 HB2 PRO 82 2HB PRO 82 -0.166 2.605 4.275 592 HB3 PRO 82 1HB PRO 82 -1.205 3.732 5.154 593 HG2 PRO 82 2HG PRO 82 1.540 2.759 5.845 594 HG3 PRO 82 1HG PRO 82 0.880 4.401 5.940 595 HD2 PRO 82 2HD PRO 82 1.106 2.757 8.100 596 HD3 PRO 82 1HD PRO 82 -0.143 4.008 7.957 597 H THR 83 H THR 83 -1.463 0.628 3.771 598 HA THR 83 HA THR 83 0.448 -1.537 4.319 599 HB THR 83 HB THR 83 -1.201 -3.075 3.106 600 HG1 THR 83 1HG THR 83 -2.596 -1.422 2.359 601 HG21 THR 83 3HG2 THR 83 -0.857 -3.301 5.497 602 HG22 THR 83 1HG2 THR 83 -2.554 -3.537 5.078 603 HG23 THR 83 2HG2 THR 83 -2.027 -2.016 5.799 604 H ILE 84 H ILE 84 1.767 -2.038 2.652 605 HA ILE 84 HA ILE 84 1.174 -0.825 0.030 606 HB ILE 84 HB ILE 84 3.912 -1.459 1.136 607 HG12 ILE 84 2HG1 ILE 84 3.158 1.360 0.707 608 HG13 ILE 84 1HG1 ILE 84 2.324 0.570 2.040 609 HG21 ILE 84 1HG2 ILE 84 4.329 0.338 -0.818 610 HG22 ILE 84 2HG2 ILE 84 2.899 -0.477 -1.453 611 HG23 ILE 84 3HG2 ILE 84 4.348 -1.407 -1.074 612 HD11 ILE 84 3HD1 ILE 84 5.304 0.775 1.681 613 HD12 ILE 84 1HD1 ILE 84 4.485 -0.050 3.006 614 HD13 ILE 84 2HD1 ILE 84 4.318 1.693 2.817 615 H VAL 85 H VAL 85 0.506 -2.355 -1.342 616 HA VAL 85 HA VAL 85 1.727 -5.028 -1.182 617 HB VAL 85 HB VAL 85 -0.237 -5.743 -2.619 618 HG11 VAL 85 1HG1 VAL 85 -1.697 -6.027 -0.736 619 HG12 VAL 85 2HG1 VAL 85 -0.933 -4.686 0.116 620 HG13 VAL 85 3HG1 VAL 85 -0.030 -6.171 -0.185 621 HG21 VAL 85 3HG2 VAL 85 -2.219 -4.358 -2.627 622 HG22 VAL 85 1HG2 VAL 85 -0.880 -3.484 -3.370 623 HG23 VAL 85 2HG2 VAL 85 -1.379 -3.100 -1.723 624 H VAL 86 H VAL 86 3.092 -5.628 -2.711 625 HA VAL 86 HA VAL 86 2.971 -4.296 -5.340 626 HB VAL 86 HB VAL 86 5.505 -5.243 -3.996 627 HG11 VAL 86 1HG1 VAL 86 4.853 -3.977 -6.604 628 HG12 VAL 86 2HG1 VAL 86 6.063 -5.198 -6.205 629 HG13 VAL 86 3HG1 VAL 86 6.354 -3.504 -5.807 630 HG21 VAL 86 3HG2 VAL 86 5.916 -2.683 -3.886 631 HG22 VAL 86 1HG2 VAL 86 4.920 -3.450 -2.649 632 HG23 VAL 86 2HG2 VAL 86 4.159 -2.569 -3.974 633 H ASN 87 H ASN 87 2.747 -5.629 -7.020 634 HA ASN 87 HA ASN 87 2.628 -7.503 -8.296 635 HB2 ASN 87 2HB ASN 87 4.999 -8.000 -6.585 636 HB3 ASN 87 1HB ASN 87 4.310 -9.406 -7.390 637 HD21 ASN 87 1HD2 ASN 87 6.584 -9.209 -8.301 638 HD22 ASN 87 2HD2 ASN 87 6.738 -8.319 -9.773 639 H GLY 88 H GLY 88 0.787 -7.201 -6.154 640 HA2 GLY 88 2HA GLY 88 -0.882 -8.390 -5.121 641 HA3 GLY 88 1HA GLY 88 -0.393 -9.752 -6.111 642 H LYS 89 H LYS 89 1.253 -7.973 -3.516 643 HA LYS 89 HA LYS 89 0.956 -9.915 -1.536 644 HB2 LYS 89 2HB LYS 89 3.374 -10.719 -1.516 645 HB3 LYS 89 1HB LYS 89 2.318 -11.417 -2.736 646 HG2 LYS 89 2HG LYS 89 3.296 -10.121 -4.459 647 HG3 LYS 89 1HG LYS 89 4.146 -9.099 -3.298 648 HD2 LYS 89 2HD LYS 89 5.853 -10.489 -3.925 649 HD3 LYS 89 1HD LYS 89 5.202 -11.403 -2.565 650 HE2 LYS 89 2HE LYS 89 4.434 -11.849 -5.446 651 HE3 LYS 89 1HE LYS 89 5.658 -12.781 -4.587 652 HZ1 LYS 89 3HZ LYS 89 3.685 -13.111 -2.908 653 HZ2 LYS 89 1HZ LYS 89 3.845 -14.098 -4.273 654 HZ3 LYS 89 2HZ LYS 89 2.745 -12.813 -4.283 655 H PHE 90 H PHE 90 1.584 -9.117 0.387 656 HA PHE 90 HA PHE 90 2.239 -6.415 0.661 657 HB2 PHE 90 2HB PHE 90 1.157 -8.036 2.361 658 HB3 PHE 90 1HB PHE 90 2.810 -8.442 2.812 659 HD1 PHE 90 2HD PHE 90 0.648 -5.441 2.297 660 HD2 PHE 90 1HD PHE 90 3.783 -7.264 4.523 661 HE1 PHE 90 2HE PHE 90 0.709 -3.497 3.801 662 HE2 PHE 90 1HE PHE 90 3.847 -5.322 6.031 663 HZ PHE 90 HZ PHE 90 2.308 -3.435 5.671 664 H TRP 91 H TRP 91 4.090 -5.649 -0.216 665 HA TRP 91 HA TRP 91 6.606 -6.963 0.573 666 HB2 TRP 91 2HB TRP 91 5.769 -6.653 -1.959 667 HB3 TRP 91 1HB TRP 91 6.603 -5.117 -1.748 668 HD1 TRP 91 HD TRP 91 9.220 -5.143 -1.734 669 HE1 TRP 91 1HE TRP 91 10.984 -6.967 -2.158 670 HE3 TRP 91 3HE TRP 91 6.189 -9.264 -1.588 671 HZ2 TRP 91 2HZ TRP 91 11.082 -9.776 -2.398 672 HZ3 TRP 91 3HZ TRP 91 7.202 -11.483 -1.924 673 HH2 TRP 91 HH TRP 91 9.598 -11.731 -2.321 674 H GLY 92 H GLY 92 4.761 -4.143 1.003 675 HA2 GLY 92 2HA GLY 92 7.156 -2.767 2.039 676 HA3 GLY 92 1HA GLY 92 5.959 -1.894 1.097 677 H THR 93 H THR 93 6.943 -1.667 3.945 678 HA THR 93 HA THR 93 4.278 -1.653 5.188 679 HB THR 93 HB THR 93 6.782 -2.224 6.762 680 HG1 THR 93 1HG THR 93 6.404 -4.379 6.520 681 HG21 THR 93 3HG2 THR 93 3.852 -2.497 7.290 682 HG22 THR 93 1HG2 THR 93 5.088 -1.681 8.250 683 HG23 THR 93 2HG2 THR 93 5.041 -3.442 8.186 684 H GLU 94 H GLU 94 4.050 -0.092 6.968 685 HA GLU 94 HA GLU 94 4.922 2.467 6.280 686 HB2 GLU 94 2HB GLU 94 4.158 3.114 8.602 687 HB3 GLU 94 1HB GLU 94 2.965 2.312 7.596 688 HG2 GLU 94 2HG GLU 94 2.617 0.871 9.234 689 HG3 GLU 94 1HG GLU 94 4.261 0.275 9.023 690 H SER 95 H SER 95 6.253 0.164 8.614 691 HA SER 95 HA SER 95 8.237 1.991 9.595 692 HB2 SER 95 2HB SER 95 7.276 0.034 10.894 693 HB3 SER 95 1HB SER 95 8.271 -1.015 9.883 694 HG SER 95 HG SER 95 9.872 -0.549 11.147 695 H GLN 96 H GLN 96 8.073 -0.379 7.026 696 HA GLN 96 HA GLN 96 10.737 -0.942 6.586 697 HB2 GLN 96 2HB GLN 96 8.672 -1.836 5.368 698 HB3 GLN 96 1HB GLN 96 8.815 -0.423 4.331 699 HG2 GLN 96 2HG GLN 96 10.450 -1.341 3.149 700 HG3 GLN 96 1HG GLN 96 11.335 -1.816 4.598 701 HE21 GLN 96 1HE2 GLN 96 11.630 -3.911 4.806 702 HE22 GLN 96 2HE2 GLN 96 10.601 -5.153 4.189 703 H LEU 97 H LEU 97 8.986 2.002 5.832 704 HA LEU 97 HA LEU 97 10.949 3.111 4.094 705 HB2 LEU 97 2HB LEU 97 8.994 4.686 5.756 706 HB3 LEU 97 1HB LEU 97 9.724 5.145 4.231 707 HG LEU 97 HG LEU 97 7.942 2.744 4.338 708 HD11 LEU 97 1HD1 LEU 97 6.013 4.182 3.850 709 HD12 LEU 97 2HD1 LEU 97 7.007 5.604 4.161 710 HD13 LEU 97 3HD1 LEU 97 6.661 4.468 5.465 711 HD21 LEU 97 3HD2 LEU 97 9.045 4.596 2.307 712 HD22 LEU 97 1HD2 LEU 97 7.417 3.978 2.027 713 HD23 LEU 97 2HD2 LEU 97 8.763 2.857 2.224 714 H HIS 98 H HIS 98 10.210 3.628 7.539 715 HA HIS 98 HA HIS 98 12.205 5.519 8.056 716 HB2 HIS 98 2HB HIS 98 10.222 4.688 9.536 717 HB3 HIS 98 1HB HIS 98 11.389 3.514 10.133 718 HD1 HIS 98 1HD HIS 98 11.266 4.635 12.487 719 HD2 HIS 98 2HD HIS 98 12.719 7.104 9.475 720 HE1 HIS 98 1HE HIS 98 12.296 6.602 13.665 721 HE2 HIS 98 2HE HIS 98 13.233 8.048 11.828 722 H ARG 99 H ARG 99 12.302 1.984 8.615 723 HA ARG 99 HA ARG 99 14.915 1.847 9.549 724 HB2 ARG 99 2HB ARG 99 14.820 -0.545 8.609 725 HB3 ARG 99 1HB ARG 99 13.678 -0.100 9.861 726 HG2 ARG 99 2HG ARG 99 11.937 -0.511 8.544 727 HG3 ARG 99 1HG ARG 99 12.631 0.408 7.208 728 HD2 ARG 99 2HD ARG 99 13.108 -1.485 6.144 729 HD3 ARG 99 1HD ARG 99 14.122 -1.996 7.493 730 HE ARG 99 HE ARG 99 11.485 -2.924 6.859 731 HH11 ARG 99 1HH1 ARG 99 13.785 -2.462 9.456 732 HH12 ARG 99 2HH1 ARG 99 13.089 -3.687 10.459 733 HH21 ARG 99 1HH2 ARG 99 10.562 -4.531 8.191 734 HH22 ARG 99 2HH2 ARG 99 11.258 -4.864 9.740 735 H PHE 100 H PHE 100 13.711 1.899 6.241 736 HA PHE 100 HA PHE 100 16.273 1.337 5.073 737 HB2 PHE 100 2HB PHE 100 13.544 1.870 4.091 738 HB3 PHE 100 1HB PHE 100 14.837 2.425 3.034 739 HD1 PHE 100 2HD PHE 100 14.586 -0.591 5.210 740 HD2 PHE 100 1HD PHE 100 14.955 0.958 1.264 741 HE1 PHE 100 2HE PHE 100 14.869 -2.876 4.345 742 HE2 PHE 100 1HE PHE 100 15.239 -1.323 0.392 743 HZ PHE 100 HZ PHE 100 15.196 -3.244 1.931 744 H GLU 101 H GLU 101 14.306 4.242 5.595 745 HA GLU 101 HA GLU 101 15.950 6.060 4.223 746 HB2 GLU 101 2HB GLU 101 13.552 6.292 5.347 747 HB3 GLU 101 1HB GLU 101 14.503 6.950 6.671 748 HG2 GLU 101 2HG GLU 101 15.297 8.096 4.146 749 HG3 GLU 101 1HG GLU 101 13.571 8.297 4.433 750 H ALA 102 H ALA 102 15.849 5.209 7.662 751 HA ALA 102 HA ALA 102 17.932 6.878 8.517 752 HB1 ALA 102 1HB ALA 102 16.175 5.315 9.800 753 HB2 ALA 102 2HB ALA 102 17.642 5.935 10.554 754 HB3 ALA 102 3HB ALA 102 17.605 4.292 9.914 755 H LYS 103 H LYS 103 17.988 3.505 7.394 756 HA LYS 103 HA LYS 103 20.796 3.179 7.812 757 HB2 LYS 103 2HB LYS 103 18.650 1.596 6.460 758 HB3 LYS 103 1HB LYS 103 20.332 1.188 6.165 759 HG2 LYS 103 2HG LYS 103 20.317 1.338 8.867 760 HG3 LYS 103 1HG LYS 103 18.676 0.771 8.549 761 HD2 LYS 103 2HD LYS 103 21.206 -0.503 7.503 762 HD3 LYS 103 1HD LYS 103 20.250 -1.090 8.863 763 HE2 LYS 103 2HE LYS 103 18.345 -1.448 7.396 764 HE3 LYS 103 1HE LYS 103 19.254 -0.800 6.031 765 HZ1 LYS 103 3HZ LYS 103 20.894 -2.654 6.502 766 HZ2 LYS 103 1HZ LYS 103 19.406 -3.111 5.839 767 HZ3 LYS 103 2HZ LYS 103 19.701 -3.335 7.489 768 H GLY 104 H GLY 104 18.821 4.361 5.190 769 HA2 GLY 104 2HA GLY 104 19.623 5.698 3.424 770 HA3 GLY 104 1HA GLY 104 21.240 5.074 3.715 771 H THR 105 H THR 105 18.466 2.960 3.457 772 HA THR 105 HA THR 105 19.564 1.907 0.936 773 HB THR 105 HB THR 105 18.161 -0.148 1.587 774 HG1 THR 105 1HG THR 105 18.371 0.937 4.186 775 HG21 THR 105 3HG2 THR 105 20.430 -0.503 1.768 776 HG22 THR 105 1HG2 THR 105 19.857 -0.816 3.406 777 HG23 THR 105 2HG2 THR 105 20.629 0.723 3.020 778 H LEU 106 H LEU 106 17.256 4.006 1.763 779 HA LEU 106 HA LEU 106 14.862 3.071 0.661 780 HB2 LEU 106 2HB LEU 106 15.594 5.342 1.903 781 HB3 LEU 106 1HB LEU 106 15.562 5.926 0.251 782 HG LEU 106 HG LEU 106 13.455 6.369 1.415 783 HD11 LEU 106 1HD1 LEU 106 13.698 5.637 -1.101 784 HD12 LEU 106 2HD1 LEU 106 12.116 5.907 -0.373 785 HD13 LEU 106 3HD1 LEU 106 12.733 4.266 -0.556 786 HD21 LEU 106 3HD2 LEU 106 13.011 3.397 1.502 787 HD22 LEU 106 1HD2 LEU 106 12.022 4.671 2.216 788 HD23 LEU 106 2HD2 LEU 106 13.618 4.317 2.878 789 H GLU 107 H GLU 107 17.566 4.808 -0.864 790 HA GLU 107 HA GLU 107 16.449 5.014 -3.435 791 HB2 GLU 107 2HB GLU 107 18.506 6.208 -2.529 792 HB3 GLU 107 1HB GLU 107 19.395 4.726 -2.853 793 HG2 GLU 107 2HG GLU 107 17.893 5.502 -5.171 794 HG3 GLU 107 1HG GLU 107 18.884 6.844 -4.606 795 H GLU 108 H GLU 108 18.330 2.460 -1.892 796 HA GLU 108 HA GLU 108 18.758 0.882 -4.191 797 HB2 GLU 108 2HB GLU 108 20.033 0.601 -2.103 798 HB3 GLU 108 1HB GLU 108 18.585 0.012 -1.300 799 HG2 GLU 108 2HG GLU 108 20.026 -1.828 -1.908 800 HG3 GLU 108 1HG GLU 108 18.521 -1.903 -2.823 801 H GLU 109 H GLU 109 16.158 0.904 -1.771 802 HA GLU 109 HA GLU 109 14.802 -1.393 -2.629 803 HB2 GLU 109 2HB GLU 109 14.416 0.293 -0.592 804 HB3 GLU 109 1HB GLU 109 13.186 0.918 -1.681 805 HG2 GLU 109 2HG GLU 109 12.453 -1.557 -1.878 806 HG3 GLU 109 1HG GLU 109 13.379 -1.771 -0.396 807 H LEU 110 H LEU 110 14.447 1.993 -3.662 808 HA LEU 110 HA LEU 110 12.282 1.661 -5.397 809 HB2 LEU 110 2HB LEU 110 13.847 3.764 -4.603 810 HB3 LEU 110 1HB LEU 110 14.307 3.596 -6.286 811 HG LEU 110 HG LEU 110 12.491 5.249 -5.892 812 HD11 LEU 110 1HD1 LEU 110 10.864 3.786 -7.537 813 HD12 LEU 110 2HD1 LEU 110 12.436 3.023 -7.772 814 HD13 LEU 110 3HD1 LEU 110 12.246 4.753 -8.051 815 HD21 LEU 110 3HD2 LEU 110 10.502 3.090 -5.535 816 HD22 LEU 110 1HD2 LEU 110 10.497 4.751 -4.945 817 HD23 LEU 110 2HD2 LEU 110 11.463 3.527 -4.123 818 H THR 111 H THR 111 15.759 1.292 -5.992 819 HA THR 111 HA THR 111 15.366 0.683 -8.785 820 HB THR 111 HB THR 111 17.911 0.092 -7.308 821 HG1 THR 111 1HG THR 111 16.974 2.669 -8.039 822 HG21 THR 111 3HG2 THR 111 17.425 1.307 -10.017 823 HG22 THR 111 1HG2 THR 111 17.802 -0.388 -9.712 824 HG23 THR 111 2HG2 THR 111 18.984 0.862 -9.321 825 H LYS 112 H LYS 112 15.774 -1.094 -5.796 826 HA LYS 112 HA LYS 112 16.395 -3.621 -6.846 827 HB2 LYS 112 2HB LYS 112 16.648 -3.060 -4.479 828 HB3 LYS 112 1HB LYS 112 14.905 -2.908 -4.313 829 HG2 LYS 112 2HG LYS 112 14.572 -5.155 -4.281 830 HG3 LYS 112 1HG LYS 112 15.954 -5.487 -5.327 831 HD2 LYS 112 2HD LYS 112 16.770 -4.330 -2.796 832 HD3 LYS 112 1HD LYS 112 15.837 -5.812 -2.570 833 HE2 LYS 112 2HE LYS 112 18.073 -6.513 -2.742 834 HE3 LYS 112 1HE LYS 112 17.357 -6.856 -4.316 835 HZ1 LYS 112 3HZ LYS 112 19.323 -4.796 -3.581 836 HZ2 LYS 112 1HZ LYS 112 18.286 -4.510 -4.888 837 HZ3 LYS 112 2HZ LYS 112 19.317 -5.850 -4.903 838 H ILE 113 H ILE 113 13.265 -2.092 -6.148 839 HA ILE 113 HA ILE 113 11.680 -4.354 -6.763 840 HB ILE 113 HB ILE 113 9.793 -2.757 -6.986 841 HG12 ILE 113 2HG1 ILE 113 11.877 -0.643 -6.391 842 HG13 ILE 113 1HG1 ILE 113 11.109 -0.881 -7.957 843 HG21 ILE 113 1HG2 ILE 113 11.587 -2.526 -4.581 844 HG22 ILE 113 2HG2 ILE 113 10.220 -3.614 -4.820 845 HG23 ILE 113 3HG2 ILE 113 9.946 -1.883 -4.629 846 HD11 ILE 113 3HD1 ILE 113 8.928 -0.396 -6.909 847 HD12 ILE 113 1HD1 ILE 113 10.064 0.949 -6.821 848 HD13 ILE 113 2HD1 ILE 113 9.769 -0.049 -5.398 849 H GLY 114 H GLY 114 13.304 -2.057 -8.769 850 HA2 GLY 114 2HA GLY 114 13.666 -2.394 -11.074 851 HA3 GLY 114 1HA GLY 114 12.232 -3.406 -11.130 852 H LEU 115 H LEU 115 12.146 -0.287 -9.559 853 HA LEU 115 HA LEU 115 10.182 0.611 -11.507 854 HB2 LEU 115 2HB LEU 115 10.242 0.854 -8.831 855 HB3 LEU 115 1HB LEU 115 11.003 2.372 -9.267 856 HG LEU 115 HG LEU 115 8.935 2.655 -10.837 857 HD11 LEU 115 1HD1 LEU 115 7.856 0.595 -10.706 858 HD12 LEU 115 2HD1 LEU 115 6.910 1.630 -9.636 859 HD13 LEU 115 3HD1 LEU 115 8.068 0.487 -8.958 860 HD21 LEU 115 3HD2 LEU 115 9.445 4.092 -8.943 861 HD22 LEU 115 1HD2 LEU 115 8.733 2.914 -7.840 862 HD23 LEU 115 2HD2 LEU 115 7.717 3.748 -9.015 863 H LEU 116 H LEU 116 13.336 1.640 -10.241 864 HA LEU 116 HA LEU 116 13.548 3.997 -11.780 865 HB2 LEU 116 2HB LEU 116 15.113 2.638 -9.874 866 HB3 LEU 116 1HB LEU 116 16.123 2.802 -11.296 867 HG LEU 116 HG LEU 116 15.229 5.321 -11.155 868 HD11 LEU 116 1HD1 LEU 116 14.062 4.363 -8.917 869 HD12 LEU 116 2HD1 LEU 116 14.545 6.044 -9.136 870 HD13 LEU 116 3HD1 LEU 116 15.595 4.932 -8.259 871 HD21 LEU 116 3HD2 LEU 116 17.540 4.000 -9.772 872 HD22 LEU 116 1HD2 LEU 116 17.306 5.746 -9.695 873 HD23 LEU 116 2HD2 LEU 116 17.528 4.955 -11.254 874 HA PRO 117 HA PRO 117 16.011 1.446 -15.006 875 HB2 PRO 117 2HB PRO 117 16.274 -1.212 -14.740 876 HB3 PRO 117 1HB PRO 117 17.335 -0.085 -13.884 877 HG2 PRO 117 2HG PRO 117 14.931 -1.561 -12.877 878 HG3 PRO 117 1HG PRO 117 16.503 -1.324 -12.092 879 HD2 PRO 117 2HD PRO 117 14.287 0.163 -11.519 880 HD3 PRO 117 1HD PRO 117 15.944 0.768 -11.339 Start of MODEL 11 1 H MET 9 1HT MET 9 -19.000 -15.903 -1.102 2 HA MET 9 HA MET 9 -18.227 -14.291 0.307 3 HB2 MET 9 2HB MET 9 -16.703 -16.580 1.440 4 HB3 MET 9 1HB MET 9 -15.956 -14.994 1.563 5 HG2 MET 9 2HG MET 9 -18.787 -15.302 2.414 6 HG3 MET 9 1HG MET 9 -17.510 -15.931 3.454 7 HE1 MET 9 2HE MET 9 -18.546 -14.697 5.105 8 HE2 MET 9 3HE MET 9 -19.071 -13.017 4.985 9 HE3 MET 9 1HE MET 9 -17.508 -13.402 5.701 10 H SER 10 H SER 10 -17.580 -15.179 -2.429 11 HA SER 10 HA SER 10 -14.802 -14.285 -2.711 12 HB2 SER 10 2HB SER 10 -16.340 -15.149 -5.102 13 HB3 SER 10 1HB SER 10 -14.670 -15.493 -4.648 14 HG SER 10 HG SER 10 -15.397 -17.061 -3.238 15 H ALA 11 H ALA 11 -17.192 -12.522 -2.143 16 HA ALA 11 HA ALA 11 -17.716 -11.014 -4.501 17 HB1 ALA 11 1HB ALA 11 -18.035 -9.668 -1.896 18 HB2 ALA 11 2HB ALA 11 -18.946 -11.164 -2.111 19 HB3 ALA 11 3HB ALA 11 -19.167 -9.825 -3.238 20 H PHE 12 H PHE 12 -15.449 -10.707 -1.825 21 HA PHE 12 HA PHE 12 -14.237 -8.372 -3.133 22 HB2 PHE 12 2HB PHE 12 -14.589 -9.185 -0.342 23 HB3 PHE 12 1HB PHE 12 -12.954 -8.648 -0.710 24 HD1 PHE 12 2HD PHE 12 -16.288 -7.481 -1.931 25 HD2 PHE 12 1HD PHE 12 -12.685 -6.529 0.128 26 HE1 PHE 12 2HE PHE 12 -17.016 -5.137 -1.744 27 HE2 PHE 12 1HE PHE 12 -13.410 -4.187 0.320 28 HZ PHE 12 HZ PHE 12 -15.576 -3.488 -0.616 29 H VAL 13 H VAL 13 -13.632 -11.689 -2.198 30 HA VAL 13 HA VAL 13 -10.826 -11.711 -2.325 31 HB VAL 13 HB VAL 13 -12.676 -13.981 -3.088 32 HG11 VAL 13 1HG1 VAL 13 -9.837 -14.039 -2.071 33 HG12 VAL 13 2HG1 VAL 13 -10.325 -14.296 -3.746 34 HG13 VAL 13 3HG1 VAL 13 -10.831 -15.433 -2.498 35 HG21 VAL 13 3HG2 VAL 13 -11.487 -14.000 -0.413 36 HG22 VAL 13 1HG2 VAL 13 -13.130 -14.375 -0.927 37 HG23 VAL 13 2HG2 VAL 13 -12.649 -12.698 -0.672 38 H THR 14 H THR 14 -13.168 -12.677 -4.854 39 HA THR 14 HA THR 14 -11.270 -13.023 -6.895 40 HB THR 14 HB THR 14 -14.189 -12.274 -7.172 41 HG1 THR 14 1HG THR 14 -12.931 -14.810 -6.983 42 HG21 THR 14 3HG2 THR 14 -12.157 -12.934 -9.142 43 HG22 THR 14 1HG2 THR 14 -13.763 -12.237 -9.352 44 HG23 THR 14 2HG2 THR 14 -13.569 -13.985 -9.221 45 H LYS 15 H LYS 15 -13.288 -10.210 -6.064 46 HA LYS 15 HA LYS 15 -12.447 -8.556 -8.170 47 HB2 LYS 15 2HB LYS 15 -13.512 -7.886 -5.426 48 HB3 LYS 15 1HB LYS 15 -13.204 -6.673 -6.663 49 HG2 LYS 15 2HG LYS 15 -14.741 -8.191 -8.127 50 HG3 LYS 15 1HG LYS 15 -15.298 -8.790 -6.565 51 HD2 LYS 15 2HD LYS 15 -15.813 -6.475 -5.891 52 HD3 LYS 15 1HD LYS 15 -15.316 -5.920 -7.491 53 HE2 LYS 15 2HE LYS 15 -17.069 -7.760 -8.255 54 HE3 LYS 15 1HE LYS 15 -17.741 -7.425 -6.661 55 HZ1 LYS 15 3HZ LYS 15 -17.624 -5.722 -9.026 56 HZ2 LYS 15 1HZ LYS 15 -17.426 -4.955 -7.530 57 HZ3 LYS 15 2HZ LYS 15 -18.824 -5.851 -7.843 58 H ALA 16 H ALA 16 -11.083 -9.133 -4.969 59 HA ALA 16 HA ALA 16 -9.192 -7.056 -4.938 60 HB1 ALA 16 1HB ALA 16 -9.757 -8.350 -2.943 61 HB2 ALA 16 2HB ALA 16 -8.020 -8.365 -3.242 62 HB3 ALA 16 3HB ALA 16 -8.996 -9.776 -3.647 63 H GLU 17 H GLU 17 -8.910 -10.424 -6.067 64 HA GLU 17 HA GLU 17 -6.210 -10.342 -6.807 65 HB2 GLU 17 2HB GLU 17 -8.436 -11.953 -8.069 66 HB3 GLU 17 1HB GLU 17 -6.715 -12.264 -8.253 67 HG2 GLU 17 2HG GLU 17 -7.153 -12.183 -5.500 68 HG3 GLU 17 1HG GLU 17 -8.515 -13.083 -6.166 69 H GLU 18 H GLU 18 -9.131 -9.493 -8.625 70 HA GLU 18 HA GLU 18 -7.847 -9.002 -11.090 71 HB2 GLU 18 2HB GLU 18 -10.493 -8.409 -9.904 72 HB3 GLU 18 1HB GLU 18 -9.987 -7.348 -11.210 73 HG2 GLU 18 2HG GLU 18 -10.118 -10.349 -11.376 74 HG3 GLU 18 1HG GLU 18 -11.342 -9.239 -11.988 75 H MET 19 H MET 19 -8.423 -6.996 -8.245 76 HA MET 19 HA MET 19 -7.682 -4.525 -9.408 77 HB2 MET 19 2HB MET 19 -7.685 -5.459 -6.535 78 HB3 MET 19 1HB MET 19 -7.294 -3.813 -7.014 79 HG2 MET 19 2HG MET 19 -9.459 -3.342 -7.659 80 HG3 MET 19 1HG MET 19 -9.869 -5.039 -7.891 81 HE1 MET 19 3HE MET 19 -8.436 -3.061 -4.473 82 HE2 MET 19 1HE MET 19 -10.079 -2.515 -4.143 83 HE3 MET 19 2HE MET 19 -9.314 -2.129 -5.684 84 H ILE 20 H ILE 20 -5.826 -6.918 -7.518 85 HA ILE 20 HA ILE 20 -3.390 -5.442 -7.706 86 HB ILE 20 HB ILE 20 -2.340 -7.538 -6.858 87 HG12 ILE 20 2HG1 ILE 20 -5.123 -8.593 -6.449 88 HG13 ILE 20 1HG1 ILE 20 -4.200 -8.998 -7.893 89 HG21 ILE 20 1HG2 ILE 20 -4.666 -6.408 -5.329 90 HG22 ILE 20 2HG2 ILE 20 -2.995 -5.847 -5.303 91 HG23 ILE 20 3HG2 ILE 20 -3.407 -7.421 -4.622 92 HD11 ILE 20 3HD1 ILE 20 -2.523 -10.081 -6.601 93 HD12 ILE 20 1HD1 ILE 20 -4.092 -10.685 -6.066 94 HD13 ILE 20 2HD1 ILE 20 -3.228 -9.494 -5.094 95 H LYS 21 H LYS 21 -5.059 -7.533 -9.846 96 HA LYS 21 HA LYS 21 -2.879 -8.724 -11.177 97 HB2 LYS 21 2HB LYS 21 -5.579 -8.982 -11.346 98 HB3 LYS 21 1HB LYS 21 -5.248 -8.066 -12.809 99 HG2 LYS 21 2HG LYS 21 -3.867 -10.641 -12.082 100 HG3 LYS 21 1HG LYS 21 -5.286 -10.531 -13.125 101 HD2 LYS 21 2HD LYS 21 -3.969 -8.982 -14.596 102 HD3 LYS 21 1HD LYS 21 -2.550 -9.360 -13.616 103 HE2 LYS 21 2HE LYS 21 -2.264 -11.347 -14.604 104 HE3 LYS 21 1HE LYS 21 -3.981 -11.735 -14.516 105 HZ1 LYS 21 3HZ LYS 21 -4.033 -9.922 -16.437 106 HZ2 LYS 21 1HZ LYS 21 -3.776 -11.565 -16.747 107 HZ3 LYS 21 2HZ LYS 21 -2.464 -10.502 -16.681 108 H SER 22 H SER 22 -4.931 -6.023 -12.309 109 HA SER 22 HA SER 22 -2.845 -5.177 -14.140 110 HB2 SER 22 2HB SER 22 -5.713 -4.801 -13.929 111 HB3 SER 22 1HB SER 22 -4.891 -3.262 -14.190 112 HG SER 22 HG SER 22 -5.490 -4.549 -16.114 113 H HIS 23 H HIS 23 -4.089 -4.306 -11.019 114 HA HIS 23 HA HIS 23 -2.250 -2.004 -10.976 115 HB2 HIS 23 2HB HIS 23 -5.052 -2.263 -10.035 116 HB3 HIS 23 1HB HIS 23 -3.956 -1.374 -8.986 117 HD1 HIS 23 1HD HIS 23 -6.291 0.054 -10.359 118 HD2 HIS 23 2HD HIS 23 -2.453 -0.154 -11.938 119 HE1 HIS 23 1HE HIS 23 -6.100 2.014 -11.924 120 HE2 HIS 23 2HE HIS 23 -3.728 1.937 -12.767 121 HA PRO 24 HA PRO 24 -1.074 -5.268 -7.779 122 HB2 PRO 24 2HB PRO 24 1.552 -5.401 -8.517 123 HB3 PRO 24 1HB PRO 24 0.294 -6.445 -9.184 124 HG2 PRO 24 2HG PRO 24 1.511 -3.969 -10.338 125 HG3 PRO 24 1HG PRO 24 1.092 -5.492 -11.141 126 HD2 PRO 24 2HD PRO 24 -0.466 -3.293 -11.316 127 HD3 PRO 24 1HD PRO 24 -1.138 -4.937 -11.312 128 H TYR 25 H TYR 25 0.055 -2.130 -8.753 129 HA TYR 25 HA TYR 25 1.703 -1.772 -6.397 130 HB2 TYR 25 2HB TYR 25 1.051 -0.095 -8.805 131 HB3 TYR 25 1HB TYR 25 1.819 0.620 -7.397 132 HD1 TYR 25 2HD TYR 25 3.803 -1.202 -6.519 133 HD2 TYR 25 1HD TYR 25 2.561 -0.410 -10.512 134 HE1 TYR 25 2HE TYR 25 5.998 -1.941 -7.343 135 HE2 TYR 25 1HE TYR 25 4.753 -1.149 -11.345 136 HH TYR 25 HH TYR 25 6.639 -2.828 -10.339 137 H PHE 26 H PHE 26 -0.192 -2.206 -4.976 138 HA PHE 26 HA PHE 26 -1.967 0.121 -4.736 139 HB2 PHE 26 2HB PHE 26 -2.375 -2.727 -4.427 140 HB3 PHE 26 1HB PHE 26 -2.854 -1.868 -2.968 141 HD1 PHE 26 1HD PHE 26 -3.122 -1.096 -6.617 142 HD2 PHE 26 2HD PHE 26 -5.129 -1.596 -2.895 143 HE1 PHE 26 1HE PHE 26 -5.250 -0.474 -7.684 144 HE2 PHE 26 2HE PHE 26 -7.259 -0.974 -3.958 145 HZ PHE 26 HZ PHE 26 -7.323 -0.412 -6.355 146 H GLN 27 H GLN 27 -2.085 1.304 -2.879 147 HA GLN 27 HA GLN 27 -0.472 0.492 -0.575 148 HB2 GLN 27 2HB GLN 27 0.846 2.000 -2.158 149 HB3 GLN 27 1HB GLN 27 -0.278 3.277 -1.718 150 HG2 GLN 27 2HG GLN 27 0.634 2.152 0.692 151 HG3 GLN 27 1HG GLN 27 2.048 2.355 -0.341 152 HE21 GLN 27 1HE2 GLN 27 -0.386 3.925 1.510 153 HE22 GLN 27 2HE2 GLN 27 0.196 5.539 1.312 154 H LEU 28 H LEU 28 -2.193 0.252 0.788 155 HA LEU 28 HA LEU 28 -4.353 2.139 0.875 156 HB2 LEU 28 2HB LEU 28 -4.355 -0.382 1.507 157 HB3 LEU 28 1HB LEU 28 -3.759 0.173 3.060 158 HG LEU 28 HG LEU 28 -5.900 1.793 2.797 159 HD11 LEU 28 1HD1 LEU 28 -6.819 -0.788 1.557 160 HD12 LEU 28 2HD1 LEU 28 -6.448 0.657 0.618 161 HD13 LEU 28 3HD1 LEU 28 -7.745 0.690 1.812 162 HD21 LEU 28 3HD2 LEU 28 -5.756 -1.001 3.907 163 HD22 LEU 28 1HD2 LEU 28 -7.123 0.078 4.179 164 HD23 LEU 28 2HD2 LEU 28 -5.519 0.522 4.762 165 H SER 29 H SER 29 -4.535 3.932 2.055 166 HA SER 29 HA SER 29 -2.853 4.305 4.413 167 HB2 SER 29 2HB SER 29 -1.800 5.268 2.215 168 HB3 SER 29 1HB SER 29 -2.991 6.550 2.427 169 HG SER 29 HG SER 29 -0.677 6.440 3.558 170 H ALA 30 H ALA 30 -3.401 6.759 5.201 171 HA ALA 30 HA ALA 30 -6.320 7.096 5.069 172 HB1 ALA 30 1HB ALA 30 -4.628 6.678 7.485 173 HB2 ALA 30 2HB ALA 30 -6.242 6.072 7.121 174 HB3 ALA 30 3HB ALA 30 -6.019 7.753 7.601 175 H SER 31 H SER 31 -6.595 9.019 4.141 176 HA SER 31 HA SER 31 -4.797 11.088 3.898 177 HB2 SER 31 2HB SER 31 -6.749 12.531 3.406 178 HB3 SER 31 1HB SER 31 -6.861 10.970 2.594 179 HG SER 31 HG SER 31 -8.483 10.391 3.881 180 H TRP 32 H TRP 32 -6.985 10.414 6.572 181 HA TRP 32 HA TRP 32 -6.579 12.910 7.902 182 HB2 TRP 32 2HB TRP 32 -8.207 10.587 8.267 183 HB3 TRP 32 1HB TRP 32 -7.362 10.920 9.773 184 HD1 TRP 32 HD TRP 32 -7.591 13.683 10.537 185 HE1 TRP 32 1HE TRP 32 -9.753 15.081 10.560 186 HE3 TRP 32 3HE TRP 32 -10.405 10.889 7.305 187 HZ2 TRP 32 2HZ TRP 32 -12.311 15.009 9.367 188 HZ3 TRP 32 3HZ TRP 32 -12.699 11.625 6.801 189 HH2 TRP 32 HH TRP 32 -13.630 13.642 7.813 190 H CYS 33 H CYS 33 -5.165 9.670 8.204 191 HA CYS 33 HA CYS 33 -3.580 10.305 10.490 192 HB2 CYS 33 2HB CYS 33 -3.404 8.049 8.484 193 HB3 CYS 33 1HB CYS 33 -2.384 8.164 9.914 194 HG CYS 33 HG CYS 33 -4.300 7.498 11.371 195 HA PRO 34 HA PRO 34 -0.267 12.639 8.674 196 HB2 PRO 34 2HB PRO 34 1.402 11.203 10.674 197 HB3 PRO 34 1HB PRO 34 1.233 12.939 10.388 198 HG2 PRO 34 2HG PRO 34 0.085 11.804 12.498 199 HG3 PRO 34 1HG PRO 34 -0.752 13.074 11.584 200 HD2 PRO 34 2HD PRO 34 -1.180 10.114 11.546 201 HD3 PRO 34 1HD PRO 34 -2.372 11.427 11.472 202 H ASP 35 H ASP 35 -0.078 9.170 9.127 203 HA ASP 35 HA ASP 35 2.338 8.588 7.887 204 HB2 ASP 35 2HB ASP 35 -0.156 6.901 7.627 205 HB3 ASP 35 1HB ASP 35 1.517 6.358 7.582 206 H CYS 36 H CYS 36 -0.845 9.197 6.457 207 HA CYS 36 HA CYS 36 -0.174 8.496 3.808 208 HB2 CYS 36 2HB CYS 36 -2.502 8.780 4.574 209 HB3 CYS 36 1HB CYS 36 -2.225 10.508 4.764 210 HG CYS 36 HG CYS 36 -1.902 10.599 2.121 211 H VAL 37 H VAL 37 0.092 11.519 5.620 212 HA VAL 37 HA VAL 37 0.827 13.184 3.470 213 HB VAL 37 HB VAL 37 1.731 13.518 6.334 214 HG11 VAL 37 1HG1 VAL 37 1.447 15.978 5.626 215 HG12 VAL 37 2HG1 VAL 37 1.480 15.354 3.976 216 HG13 VAL 37 3HG1 VAL 37 2.860 15.096 5.045 217 HG21 VAL 37 3HG2 VAL 37 -0.492 13.447 6.767 218 HG22 VAL 37 1HG2 VAL 37 -0.941 13.805 5.099 219 HG23 VAL 37 2HG2 VAL 37 -0.432 15.107 6.175 220 H TYR 38 H TYR 38 2.753 11.178 5.675 221 HA TYR 38 HA TYR 38 5.298 12.026 4.752 222 HB2 TYR 38 2HB TYR 38 4.899 10.831 6.907 223 HB3 TYR 38 1HB TYR 38 4.568 9.363 5.993 224 HD1 TYR 38 2HD TYR 38 7.173 11.717 7.067 225 HD2 TYR 38 1HD TYR 38 6.370 8.108 4.959 226 HE1 TYR 38 2HE TYR 38 9.570 11.167 7.105 227 HE2 TYR 38 1HE TYR 38 8.763 7.549 4.996 228 HH TYR 38 HH TYR 38 11.050 9.225 5.234 229 H ALA 39 H ALA 39 3.264 9.222 3.915 230 HA ALA 39 HA ALA 39 5.023 8.055 2.062 231 HB1 ALA 39 1HB ALA 39 3.381 6.547 1.668 232 HB2 ALA 39 2HB ALA 39 2.125 7.778 1.543 233 HB3 ALA 39 3HB ALA 39 2.699 7.263 3.129 234 H ASN 40 H ASN 40 2.522 10.531 1.647 235 HA ASN 40 HA ASN 40 2.768 10.613 -1.203 236 HB2 ASN 40 2HB ASN 40 1.212 12.041 0.856 237 HB3 ASN 40 1HB ASN 40 1.611 12.997 -0.567 238 HD21 ASN 40 1HD2 ASN 40 0.813 9.565 -0.147 239 HD22 ASN 40 2HD2 ASN 40 -0.522 9.567 -1.242 240 H SER 41 H SER 41 4.269 12.262 1.491 241 HA SER 41 HA SER 41 5.335 14.452 0.103 242 HB2 SER 41 2HB SER 41 5.875 13.110 2.693 243 HB3 SER 41 1HB SER 41 7.176 14.110 2.045 244 HG SER 41 HG SER 41 5.761 15.857 1.996 245 H ILE 42 H ILE 42 6.751 11.274 0.857 246 HA ILE 42 HA ILE 42 9.207 11.745 -0.472 247 HB ILE 42 HB ILE 42 7.909 9.063 0.031 248 HG12 ILE 42 2HG1 ILE 42 8.040 10.402 2.103 249 HG13 ILE 42 1HG1 ILE 42 9.130 9.025 2.149 250 HG21 ILE 42 1HG2 ILE 42 9.681 8.444 -1.220 251 HG22 ILE 42 2HG2 ILE 42 10.557 8.657 0.295 252 HG23 ILE 42 3HG2 ILE 42 10.560 9.941 -0.912 253 HD11 ILE 42 3HD1 ILE 42 10.560 11.228 1.091 254 HD12 ILE 42 1HD1 ILE 42 10.809 10.381 2.615 255 HD13 ILE 42 2HD1 ILE 42 9.715 11.763 2.544 256 H TRP 43 H TRP 43 6.130 10.353 -1.502 257 HA TRP 43 HA TRP 43 7.004 9.458 -4.044 258 HB2 TRP 43 2HB TRP 43 4.426 9.790 -2.651 259 HB3 TRP 43 1HB TRP 43 4.339 9.906 -4.406 260 HD1 TRP 43 HD TRP 43 3.590 7.644 -5.327 261 HE1 TRP 43 1HE TRP 43 4.154 5.179 -4.856 262 HE3 TRP 43 3HE TRP 43 6.811 8.272 -1.404 263 HZ2 TRP 43 2HZ TRP 43 5.749 3.695 -3.064 264 HZ3 TRP 43 3HZ TRP 43 7.811 6.278 -0.368 265 HH2 TRP 43 HH TRP 43 7.290 4.037 -1.183 266 H ASN 44 H ASN 44 5.780 12.541 -2.864 267 HA ASN 44 HA ASN 44 5.305 13.725 -5.395 268 HB2 ASN 44 2HB ASN 44 5.035 14.492 -2.685 269 HB3 ASN 44 1HB ASN 44 6.062 15.701 -3.450 270 HD21 ASN 44 1HD2 ASN 44 5.187 17.126 -4.868 271 HD22 ASN 44 2HD2 ASN 44 3.507 17.180 -5.267 272 H LYS 45 H LYS 45 8.168 13.437 -3.379 273 HA LYS 45 HA LYS 45 9.717 15.271 -4.980 274 HB2 LYS 45 2HB LYS 45 9.939 14.562 -2.416 275 HB3 LYS 45 1HB LYS 45 11.018 13.355 -3.106 276 HG2 LYS 45 2HG LYS 45 11.465 16.098 -4.054 277 HG3 LYS 45 1HG LYS 45 11.774 15.835 -2.336 278 HD2 LYS 45 2HD LYS 45 12.880 13.982 -4.423 279 HD3 LYS 45 1HD LYS 45 13.710 15.478 -3.993 280 HE2 LYS 45 2HE LYS 45 12.858 13.761 -1.744 281 HE3 LYS 45 1HE LYS 45 14.143 13.122 -2.766 282 HZ1 LYS 45 3HZ LYS 45 14.146 15.516 -1.061 283 HZ2 LYS 45 1HZ LYS 45 15.154 15.473 -2.419 284 HZ3 LYS 45 2HZ LYS 45 15.315 14.305 -1.208 285 H LEU 46 H LEU 46 9.244 11.797 -4.727 286 HA LEU 46 HA LEU 46 11.426 11.199 -6.522 287 HB2 LEU 46 2HB LEU 46 9.382 9.580 -5.063 288 HB3 LEU 46 1HB LEU 46 10.267 8.857 -6.393 289 HG LEU 46 HG LEU 46 11.590 10.091 -3.977 290 HD11 LEU 46 1HD1 LEU 46 11.768 7.982 -3.002 291 HD12 LEU 46 2HD1 LEU 46 11.324 7.152 -4.494 292 HD13 LEU 46 3HD1 LEU 46 10.102 8.037 -3.581 293 HD21 LEU 46 3HD2 LEU 46 12.543 8.772 -6.454 294 HD22 LEU 46 1HD2 LEU 46 13.381 8.374 -4.956 295 HD23 LEU 46 2HD2 LEU 46 13.284 10.050 -5.492 296 H ASN 47 H ASN 47 8.277 12.283 -6.971 297 HA ASN 47 HA ASN 47 6.832 12.352 -8.718 298 HB2 ASN 47 2HB ASN 47 8.839 13.415 -9.727 299 HB3 ASN 47 1HB ASN 47 9.340 11.839 -10.328 300 HD21 ASN 47 1HD2 ASN 47 6.454 13.922 -10.339 301 HD22 ASN 47 2HD2 ASN 47 6.059 13.647 -11.997 302 H VAL 48 H VAL 48 6.672 9.958 -7.486 303 HA VAL 48 HA VAL 48 6.402 8.051 -9.719 304 HB VAL 48 HB VAL 48 6.742 6.204 -8.111 305 HG11 VAL 48 1HG1 VAL 48 9.076 6.282 -8.111 306 HG12 VAL 48 2HG1 VAL 48 9.111 8.036 -7.929 307 HG13 VAL 48 3HG1 VAL 48 8.610 7.318 -9.460 308 HG21 VAL 48 3HG2 VAL 48 8.058 7.281 -5.967 309 HG22 VAL 48 1HG2 VAL 48 6.391 6.705 -5.959 310 HG23 VAL 48 2HG2 VAL 48 6.731 8.418 -6.202 311 H GLN 49 H GLN 49 4.448 9.989 -8.676 312 HA GLN 49 HA GLN 49 2.511 8.631 -7.097 313 HB2 GLN 49 2HB GLN 49 2.817 11.180 -7.520 314 HB3 GLN 49 1HB GLN 49 1.837 10.896 -8.952 315 HG2 GLN 49 2HG GLN 49 0.126 11.347 -7.589 316 HG3 GLN 49 1HG GLN 49 0.333 9.679 -7.060 317 HE21 GLN 49 1HE2 GLN 49 -0.805 11.765 -5.523 318 HE22 GLN 49 2HE2 GLN 49 0.204 12.015 -4.142 319 H ASP 50 H ASP 50 3.046 8.964 -10.563 320 HA ASP 50 HA ASP 50 0.547 7.674 -11.249 321 HB2 ASP 50 2HB ASP 50 2.144 9.414 -12.600 322 HB3 ASP 50 1HB ASP 50 2.649 7.887 -13.316 323 H LYS 51 H LYS 51 3.927 6.790 -10.915 324 HA LYS 51 HA LYS 51 3.792 4.270 -12.197 325 HB2 LYS 51 2HB LYS 51 5.686 5.508 -10.220 326 HB3 LYS 51 1HB LYS 51 5.862 3.824 -10.691 327 HG2 LYS 51 2HG LYS 51 5.860 4.716 -13.104 328 HG3 LYS 51 1HG LYS 51 6.168 6.288 -12.364 329 HD2 LYS 51 2HD LYS 51 8.087 5.122 -11.130 330 HD3 LYS 51 1HD LYS 51 7.871 3.813 -12.292 331 HE2 LYS 51 2HE LYS 51 8.430 5.205 -14.115 332 HE3 LYS 51 1HE LYS 51 8.271 6.669 -13.145 333 HZ1 LYS 51 3HZ LYS 51 10.558 6.306 -13.347 334 HZ2 LYS 51 1HZ LYS 51 10.427 4.643 -13.061 335 HZ3 LYS 51 2HZ LYS 51 10.189 5.739 -11.796 336 H VAL 52 H VAL 52 2.715 5.345 -9.091 337 HA VAL 52 HA VAL 52 2.160 2.556 -8.309 338 HB VAL 52 HB VAL 52 2.698 4.826 -6.384 339 HG11 VAL 52 1HG1 VAL 52 2.327 1.863 -6.037 340 HG12 VAL 52 2HG1 VAL 52 1.396 3.175 -5.315 341 HG13 VAL 52 3HG1 VAL 52 3.057 2.884 -4.801 342 HG21 VAL 52 3HG2 VAL 52 4.839 3.346 -5.993 343 HG22 VAL 52 1HG2 VAL 52 4.806 4.589 -7.245 344 HG23 VAL 52 2HG2 VAL 52 4.561 2.895 -7.674 345 H PHE 53 H PHE 53 0.218 2.341 -6.883 346 HA PHE 53 HA PHE 53 -1.720 4.501 -7.342 347 HB2 PHE 53 2HB PHE 53 -1.841 1.883 -8.380 348 HB3 PHE 53 1HB PHE 53 -3.023 1.940 -7.076 349 HD1 PHE 53 2HD PHE 53 -4.930 3.459 -7.189 350 HD2 PHE 53 1HD PHE 53 -2.131 3.176 -10.383 351 HE1 PHE 53 2HE PHE 53 -6.514 4.614 -8.675 352 HE2 PHE 53 1HE PHE 53 -3.709 4.333 -11.873 353 HZ PHE 53 HZ PHE 53 -5.904 5.053 -11.021 354 H VAL 54 H VAL 54 -2.131 5.399 -5.486 355 HA VAL 54 HA VAL 54 -2.100 3.824 -3.020 356 HB VAL 54 HB VAL 54 -0.785 5.894 -3.042 357 HG11 VAL 54 1HG1 VAL 54 -2.086 7.231 -4.579 358 HG12 VAL 54 2HG1 VAL 54 -1.930 8.081 -3.043 359 HG13 VAL 54 3HG1 VAL 54 -3.439 7.268 -3.449 360 HG21 VAL 54 3HG2 VAL 54 -1.524 5.190 -0.906 361 HG22 VAL 54 1HG2 VAL 54 -3.147 5.823 -1.181 362 HG23 VAL 54 2HG2 VAL 54 -1.791 6.931 -0.980 363 H PHE 55 H PHE 55 -3.827 3.615 -1.674 364 HA PHE 55 HA PHE 55 -6.398 4.726 -2.587 365 HB2 PHE 55 2HB PHE 55 -5.785 2.095 -2.827 366 HB3 PHE 55 1HB PHE 55 -6.485 2.111 -1.213 367 HD1 PHE 55 1HD PHE 55 -8.778 3.337 -0.988 368 HD2 PHE 55 2HD PHE 55 -7.167 1.900 -4.656 369 HE1 PHE 55 1HE PHE 55 -11.035 3.314 -1.966 370 HE2 PHE 55 2HE PHE 55 -9.422 1.877 -5.642 371 HZ PHE 55 HZ PHE 55 -11.359 2.583 -4.297 372 H ASP 56 H ASP 56 -6.542 6.336 -1.074 373 HA ASP 56 HA ASP 56 -6.113 5.737 1.735 374 HB2 ASP 56 2HB ASP 56 -6.606 8.138 2.088 375 HB3 ASP 56 1HB ASP 56 -5.317 7.881 0.917 376 H ILE 57 H ILE 57 -7.682 5.751 3.332 377 HA ILE 57 HA ILE 57 -10.473 6.042 2.490 378 HB ILE 57 HB ILE 57 -10.989 3.980 3.945 379 HG12 ILE 57 2HG1 ILE 57 -8.127 3.327 3.199 380 HG13 ILE 57 1HG1 ILE 57 -8.652 3.765 4.823 381 HG21 ILE 57 1HG2 ILE 57 -10.468 2.461 1.953 382 HG22 ILE 57 2HG2 ILE 57 -9.793 3.903 1.196 383 HG23 ILE 57 3HG2 ILE 57 -11.491 3.869 1.664 384 HD11 ILE 57 3HD1 ILE 57 -10.270 1.783 4.603 385 HD12 ILE 57 1HD1 ILE 57 -8.560 1.450 4.873 386 HD13 ILE 57 2HD1 ILE 57 -9.245 1.291 3.256 387 H GLY 58 H GLY 58 -10.901 7.828 3.693 388 HA2 GLY 58 2HA GLY 58 -10.364 7.670 6.592 389 HA3 GLY 58 1HA GLY 58 -10.473 9.167 5.683 390 H SER 59 H SER 59 -12.740 6.533 5.187 391 HA SER 59 HA SER 59 -14.735 7.822 6.867 392 HB2 SER 59 2HB SER 59 -14.901 7.652 3.872 393 HB3 SER 59 1HB SER 59 -16.369 7.639 4.851 394 HG SER 59 HG SER 59 -15.590 9.627 5.793 395 H LEU 60 H LEU 60 -15.241 5.571 4.190 396 HA LEU 60 HA LEU 60 -16.020 3.441 4.090 397 HB2 LEU 60 2HB LEU 60 -14.871 2.962 6.819 398 HB3 LEU 60 1HB LEU 60 -15.068 1.821 5.503 399 HG LEU 60 HG LEU 60 -13.145 4.144 5.408 400 HD11 LEU 60 1HD1 LEU 60 -11.551 2.946 6.428 401 HD12 LEU 60 2HD1 LEU 60 -12.092 1.428 5.715 402 HD13 LEU 60 3HD1 LEU 60 -12.911 2.077 7.136 403 HD21 LEU 60 3HD2 LEU 60 -12.177 2.284 3.724 404 HD22 LEU 60 1HD2 LEU 60 -13.282 3.565 3.225 405 HD23 LEU 60 2HD2 LEU 60 -13.901 1.952 3.577 406 HA PRO 61 HA PRO 61 -19.864 4.273 6.340 407 HB2 PRO 61 2HB PRO 61 -20.942 2.345 4.380 408 HB3 PRO 61 1HB PRO 61 -21.426 4.012 4.703 409 HG2 PRO 61 2HG PRO 61 -20.110 3.353 2.468 410 HG3 PRO 61 1HG PRO 61 -19.818 4.893 3.296 411 HD2 PRO 61 2HD PRO 61 -18.190 2.376 3.351 412 HD3 PRO 61 1HD PRO 61 -17.650 4.064 3.220 413 H ARG 62 H ARG 62 -18.399 2.746 7.874 414 HA ARG 62 HA ARG 62 -18.395 1.082 9.401 415 HB2 ARG 62 2HB ARG 62 -21.136 1.619 8.843 416 HB3 ARG 62 1HB ARG 62 -20.955 -0.115 9.080 417 HG2 ARG 62 2HG ARG 62 -19.833 0.318 11.230 418 HG3 ARG 62 1HG ARG 62 -20.100 2.047 10.995 419 HD2 ARG 62 2HD ARG 62 -22.606 1.023 10.622 420 HD3 ARG 62 1HD ARG 62 -21.951 -0.051 11.858 421 HE ARG 62 HE ARG 62 -21.342 2.389 12.824 422 HH11 ARG 62 1HH1 ARG 62 -24.333 1.012 11.624 423 HH12 ARG 62 2HH1 ARG 62 -25.334 1.989 12.643 424 HH21 ARG 62 1HH2 ARG 62 -22.676 3.670 14.169 425 HH22 ARG 62 2HH2 ARG 62 -24.397 3.494 14.084 426 H ASN 63 H ASN 63 -20.550 -0.427 6.987 427 HA ASN 63 HA ASN 63 -19.489 -2.981 7.171 428 HB2 ASN 63 2HB ASN 63 -21.531 -1.814 5.754 429 HB3 ASN 63 1HB ASN 63 -20.415 -2.276 4.474 430 HD21 ASN 63 1HD2 ASN 63 -22.255 -3.681 3.897 431 HD22 ASN 63 2HD2 ASN 63 -22.357 -5.236 4.641 432 H GLU 64 H GLU 64 -18.571 -0.357 4.976 433 HA GLU 64 HA GLU 64 -16.749 -1.774 3.393 434 HB2 GLU 64 2HB GLU 64 -17.645 0.500 2.905 435 HB3 GLU 64 1HB GLU 64 -16.605 1.142 4.169 436 HG2 GLU 64 2HG GLU 64 -15.569 1.529 2.060 437 HG3 GLU 64 1HG GLU 64 -14.641 0.300 2.916 438 H GLN 65 H GLN 65 -16.282 -0.004 6.431 439 HA GLN 65 HA GLN 65 -13.510 -0.146 6.607 440 HB2 GLN 65 2HB GLN 65 -15.001 1.174 8.110 441 HB3 GLN 65 1HB GLN 65 -15.460 -0.322 8.910 442 HG2 GLN 65 2HG GLN 65 -12.569 0.197 8.744 443 HG3 GLN 65 1HG GLN 65 -13.494 1.303 9.757 444 HE21 GLN 65 1HE2 GLN 65 -11.928 -1.644 9.623 445 HE22 GLN 65 2HE2 GLN 65 -12.554 -2.342 11.074 446 H GLU 66 H GLU 66 -15.957 -2.501 7.632 447 HA GLU 66 HA GLU 66 -13.982 -4.337 8.640 448 HB2 GLU 66 2HB GLU 66 -16.962 -4.415 8.314 449 HB3 GLU 66 1HB GLU 66 -16.073 -5.889 8.676 450 HG2 GLU 66 2HG GLU 66 -15.229 -4.941 10.717 451 HG3 GLU 66 1HG GLU 66 -15.952 -3.381 10.335 452 H LYS 67 H LYS 67 -15.626 -3.795 5.617 453 HA LYS 67 HA LYS 67 -15.255 -6.359 4.489 454 HB2 LYS 67 2HB LYS 67 -16.575 -4.097 3.715 455 HB3 LYS 67 1HB LYS 67 -15.203 -4.087 2.614 456 HG2 LYS 67 2HG LYS 67 -15.798 -6.156 1.676 457 HG3 LYS 67 1HG LYS 67 -16.917 -6.523 2.991 458 HD2 LYS 67 2HD LYS 67 -17.303 -4.215 1.091 459 HD3 LYS 67 1HD LYS 67 -17.972 -5.824 0.806 460 HE2 LYS 67 2HE LYS 67 -18.852 -5.442 3.300 461 HE3 LYS 67 1HE LYS 67 -18.751 -3.758 2.786 462 HZ1 LYS 67 3HZ LYS 67 -20.538 -5.876 1.876 463 HZ2 LYS 67 1HZ LYS 67 -20.001 -4.786 0.699 464 HZ3 LYS 67 2HZ LYS 67 -20.828 -4.220 2.062 465 H TRP 68 H TRP 68 -13.290 -3.378 4.269 466 HA TRP 68 HA TRP 68 -11.320 -4.579 2.592 467 HB2 TRP 68 2HB TRP 68 -10.132 -2.555 2.714 468 HB3 TRP 68 1HB TRP 68 -11.821 -2.077 2.830 469 HD1 TRP 68 HD TRP 68 -12.542 -0.746 4.951 470 HE1 TRP 68 1HE TRP 68 -11.308 0.115 7.040 471 HE3 TRP 68 3HE TRP 68 -8.108 -3.234 4.373 472 HZ2 TRP 68 2HZ TRP 68 -8.794 -0.205 8.274 473 HZ3 TRP 68 3HZ TRP 68 -6.343 -2.899 6.053 474 HH2 TRP 68 HH TRP 68 -6.680 -1.416 7.963 475 H ARG 69 H ARG 69 -11.520 -4.029 6.095 476 HA ARG 69 HA ARG 69 -8.900 -4.733 6.740 477 HB2 ARG 69 2HB ARG 69 -9.589 -4.917 8.984 478 HB3 ARG 69 1HB ARG 69 -10.641 -3.703 8.273 479 HG2 ARG 69 2HG ARG 69 -12.449 -5.264 8.133 480 HG3 ARG 69 1HG ARG 69 -11.405 -6.589 8.646 481 HD2 ARG 69 2HD ARG 69 -11.166 -4.593 10.608 482 HD3 ARG 69 1HD ARG 69 -12.887 -4.713 10.235 483 HE ARG 69 HE ARG 69 -11.580 -7.247 10.657 484 HH11 ARG 69 1HH1 ARG 69 -13.275 -4.592 12.193 485 HH12 ARG 69 2HH1 ARG 69 -13.786 -5.542 13.545 486 HH21 ARG 69 1HH2 ARG 69 -12.255 -8.488 12.445 487 HH22 ARG 69 2HH2 ARG 69 -13.207 -7.753 13.689 488 H ILE 70 H ILE 70 -11.741 -6.803 6.280 489 HA ILE 70 HA ILE 70 -10.316 -9.187 7.042 490 HB ILE 70 HB ILE 70 -12.967 -8.991 5.604 491 HG12 ILE 70 2HG1 ILE 70 -12.573 -9.401 8.566 492 HG13 ILE 70 1HG1 ILE 70 -12.755 -7.794 7.871 493 HG21 ILE 70 1HG2 ILE 70 -13.185 -11.220 5.831 494 HG22 ILE 70 2HG2 ILE 70 -12.385 -11.246 7.402 495 HG23 ILE 70 3HG2 ILE 70 -11.425 -11.191 5.923 496 HD11 ILE 70 3HD1 ILE 70 -14.763 -10.015 7.593 497 HD12 ILE 70 1HD1 ILE 70 -14.947 -8.345 7.058 498 HD13 ILE 70 2HD1 ILE 70 -14.847 -8.712 8.780 499 H ALA 71 H ALA 71 -11.346 -7.676 4.003 500 HA ALA 71 HA ALA 71 -10.595 -9.733 2.257 501 HB1 ALA 71 1HB ALA 71 -11.951 -7.643 1.738 502 HB2 ALA 71 2HB ALA 71 -10.809 -8.185 0.508 503 HB3 ALA 71 3HB ALA 71 -10.403 -6.821 1.552 504 H PHE 72 H PHE 72 -8.757 -6.807 3.180 505 HA PHE 72 HA PHE 72 -6.414 -7.420 1.783 506 HB2 PHE 72 2HB PHE 72 -7.123 -5.616 4.030 507 HB3 PHE 72 1HB PHE 72 -5.415 -5.999 3.843 508 HD1 PHE 72 1HD PHE 72 -8.322 -4.382 2.294 509 HD2 PHE 72 2HD PHE 72 -4.158 -5.200 1.958 510 HE1 PHE 72 1HE PHE 72 -8.138 -2.693 0.516 511 HE2 PHE 72 2HE PHE 72 -3.966 -3.511 0.179 512 HZ PHE 72 HZ PHE 72 -5.957 -2.254 -0.543 513 H GLN 73 H GLN 73 -7.398 -8.286 5.083 514 HA GLN 73 HA GLN 73 -4.975 -9.451 5.896 515 HB2 GLN 73 2HB GLN 73 -7.287 -8.927 7.155 516 HB3 GLN 73 1HB GLN 73 -7.504 -10.651 6.881 517 HG2 GLN 73 2HG GLN 73 -4.870 -10.100 7.903 518 HG3 GLN 73 1HG GLN 73 -6.111 -9.424 8.955 519 HE21 GLN 73 1HE2 GLN 73 -5.202 -12.389 7.248 520 HE22 GLN 73 2HE2 GLN 73 -5.839 -13.473 8.432 521 H LYS 74 H LYS 74 -7.633 -10.688 3.975 522 HA LYS 74 HA LYS 74 -6.757 -13.421 4.062 523 HB2 LYS 74 2HB LYS 74 -9.104 -12.123 3.390 524 HB3 LYS 74 1HB LYS 74 -8.497 -12.676 1.840 525 HG2 LYS 74 2HG LYS 74 -9.425 -14.643 2.282 526 HG3 LYS 74 1HG LYS 74 -8.195 -14.867 3.527 527 HD2 LYS 74 2HD LYS 74 -10.412 -15.225 4.456 528 HD3 LYS 74 1HD LYS 74 -9.678 -13.787 5.166 529 HE2 LYS 74 2HE LYS 74 -11.111 -12.351 4.077 530 HE3 LYS 74 1HE LYS 74 -11.416 -13.485 2.761 531 HZ1 LYS 74 3HZ LYS 74 -12.361 -14.053 5.503 532 HZ2 LYS 74 1HZ LYS 74 -12.929 -14.676 4.034 533 HZ3 LYS 74 2HZ LYS 74 -13.265 -13.074 4.460 534 H VAL 75 H VAL 75 -6.249 -10.655 1.962 535 HA VAL 75 HA VAL 75 -5.123 -12.178 -0.194 536 HB VAL 75 HB VAL 75 -4.842 -9.209 0.286 537 HG11 VAL 75 1HG1 VAL 75 -3.301 -10.089 -1.371 538 HG12 VAL 75 2HG1 VAL 75 -4.546 -9.116 -2.155 539 HG13 VAL 75 3HG1 VAL 75 -4.631 -10.876 -2.221 540 HG21 VAL 75 3HG2 VAL 75 -6.776 -9.585 -1.664 541 HG22 VAL 75 1HG2 VAL 75 -7.049 -9.069 -0.001 542 HG23 VAL 75 2HG2 VAL 75 -7.176 -10.775 -0.427 543 H VAL 76 H VAL 76 -3.830 -10.172 2.442 544 HA VAL 76 HA VAL 76 -1.248 -11.485 2.014 545 HB VAL 76 HB VAL 76 -0.070 -9.359 2.564 546 HG11 VAL 76 1HG1 VAL 76 -0.473 -10.255 0.232 547 HG12 VAL 76 2HG1 VAL 76 -0.102 -8.536 0.352 548 HG13 VAL 76 3HG1 VAL 76 -1.765 -9.063 0.097 549 HG21 VAL 76 3HG2 VAL 76 -1.692 -8.038 3.644 550 HG22 VAL 76 1HG2 VAL 76 -2.854 -8.246 2.334 551 HG23 VAL 76 2HG2 VAL 76 -1.419 -7.251 2.092 552 H GLY 77 H GLY 77 -3.224 -9.576 4.279 553 HA2 GLY 77 2HA GLY 77 -3.585 -10.517 6.505 554 HA3 GLY 77 1HA GLY 77 -1.916 -11.061 6.473 555 H SER 78 H SER 78 -3.379 -7.902 5.697 556 HA SER 78 HA SER 78 -1.646 -6.705 7.750 557 HB2 SER 78 2HB SER 78 -1.410 -6.225 5.108 558 HB3 SER 78 1HB SER 78 -2.629 -5.017 5.508 559 HG SER 78 HG SER 78 -0.458 -4.244 5.717 560 H ARG 79 H ARG 79 -3.082 -6.617 9.430 561 HA ARG 79 HA ARG 79 -5.736 -5.501 8.997 562 HB2 ARG 79 2HB ARG 79 -6.107 -6.027 11.382 563 HB3 ARG 79 1HB ARG 79 -5.588 -7.427 10.456 564 HG2 ARG 79 2HG ARG 79 -4.071 -7.764 12.045 565 HG3 ARG 79 1HG ARG 79 -3.221 -6.355 11.408 566 HD2 ARG 79 2HD ARG 79 -3.545 -6.148 13.806 567 HD3 ARG 79 1HD ARG 79 -4.461 -4.913 12.943 568 HE ARG 79 HE ARG 79 -5.982 -7.281 13.553 569 HH11 ARG 79 1HH1 ARG 79 -4.922 -4.165 14.743 570 HH12 ARG 79 2HH1 ARG 79 -6.240 -4.001 15.854 571 HH21 ARG 79 1HH2 ARG 79 -7.725 -7.056 15.025 572 HH22 ARG 79 2HH2 ARG 79 -7.826 -5.638 16.014 573 H ASN 80 H ASN 80 -3.234 -3.864 8.747 574 HA ASN 80 HA ASN 80 -4.110 -1.672 10.476 575 HB2 ASN 80 2HB ASN 80 -2.033 -3.053 11.360 576 HB3 ASN 80 1HB ASN 80 -1.163 -2.085 10.176 577 HD21 ASN 80 1HD2 ASN 80 -3.232 -1.935 13.016 578 HD22 ASN 80 2HD2 ASN 80 -2.703 -0.376 13.542 579 H LEU 81 H LEU 81 -2.932 0.425 9.830 580 HA LEU 81 HA LEU 81 -2.147 0.503 7.023 581 HB2 LEU 81 2HB LEU 81 -3.728 2.340 6.533 582 HB3 LEU 81 1HB LEU 81 -4.522 0.812 6.859 583 HG LEU 81 HG LEU 81 -4.637 1.858 9.323 584 HD11 LEU 81 1HD1 LEU 81 -4.200 4.146 7.482 585 HD12 LEU 81 2HD1 LEU 81 -3.728 3.940 9.170 586 HD13 LEU 81 3HD1 LEU 81 -5.400 4.324 8.762 587 HD21 LEU 81 3HD2 LEU 81 -6.657 1.188 8.525 588 HD22 LEU 81 1HD2 LEU 81 -6.436 1.988 6.969 589 HD23 LEU 81 2HD2 LEU 81 -6.881 2.932 8.390 590 HA PRO 82 HA PRO 82 -1.914 2.259 5.542 591 HB2 PRO 82 2HB PRO 82 0.714 3.235 4.812 592 HB3 PRO 82 1HB PRO 82 -0.862 3.935 4.447 593 HG2 PRO 82 2HG PRO 82 0.940 5.089 6.132 594 HG3 PRO 82 1HG PRO 82 -0.812 5.319 6.266 595 HD2 PRO 82 2HD PRO 82 0.986 3.499 7.831 596 HD3 PRO 82 1HD PRO 82 -0.366 4.508 8.394 597 H THR 83 H THR 83 -0.720 1.065 3.776 598 HA THR 83 HA THR 83 1.508 -0.580 4.531 599 HB THR 83 HB THR 83 -0.287 -1.803 5.648 600 HG1 THR 83 1HG THR 83 1.379 -3.004 4.598 601 HG21 THR 83 3HG2 THR 83 -2.023 -2.949 4.284 602 HG22 THR 83 1HG2 THR 83 -1.589 -1.889 2.943 603 HG23 THR 83 2HG2 THR 83 -2.238 -1.204 4.433 604 H ILE 84 H ILE 84 2.626 -1.249 2.764 605 HA ILE 84 HA ILE 84 1.451 -0.621 0.144 606 HB ILE 84 HB ILE 84 4.372 -1.085 0.733 607 HG12 ILE 84 2HG1 ILE 84 4.089 1.626 0.296 608 HG13 ILE 84 1HG1 ILE 84 2.689 1.251 1.296 609 HG21 ILE 84 1HG2 ILE 84 3.743 -1.339 -1.593 610 HG22 ILE 84 2HG2 ILE 84 4.700 0.126 -1.378 611 HG23 ILE 84 3HG2 ILE 84 2.951 0.235 -1.576 612 HD11 ILE 84 3HD1 ILE 84 4.019 0.518 3.072 613 HD12 ILE 84 1HD1 ILE 84 4.823 1.967 2.473 614 HD13 ILE 84 2HD1 ILE 84 5.451 0.374 2.055 615 H VAL 85 H VAL 85 1.034 -2.178 -1.291 616 HA VAL 85 HA VAL 85 2.207 -4.845 -0.846 617 HB VAL 85 HB VAL 85 0.101 -5.749 -1.936 618 HG11 VAL 85 1HG1 VAL 85 -1.240 -5.143 0.308 619 HG12 VAL 85 2HG1 VAL 85 0.384 -4.652 0.791 620 HG13 VAL 85 3HG1 VAL 85 0.086 -6.306 0.254 621 HG21 VAL 85 3HG2 VAL 85 -1.807 -4.465 -2.177 622 HG22 VAL 85 1HG2 VAL 85 -0.547 -3.338 -2.677 623 HG23 VAL 85 2HG2 VAL 85 -1.241 -3.225 -1.060 624 H VAL 86 H VAL 86 3.234 -5.758 -2.529 625 HA VAL 86 HA VAL 86 2.881 -4.546 -5.198 626 HB VAL 86 HB VAL 86 5.491 -5.624 -4.120 627 HG11 VAL 86 1HG1 VAL 86 5.657 -5.788 -6.415 628 HG12 VAL 86 2HG1 VAL 86 6.297 -4.170 -6.127 629 HG13 VAL 86 3HG1 VAL 86 4.641 -4.374 -6.698 630 HG21 VAL 86 3HG2 VAL 86 5.326 -3.716 -2.864 631 HG22 VAL 86 1HG2 VAL 86 4.313 -2.891 -4.048 632 HG23 VAL 86 2HG2 VAL 86 6.046 -3.056 -4.331 633 H ASN 87 H ASN 87 2.284 -5.927 -6.731 634 HA ASN 87 HA ASN 87 1.856 -7.834 -7.884 635 HB2 ASN 87 2HB ASN 87 4.442 -8.395 -6.566 636 HB3 ASN 87 1HB ASN 87 3.553 -9.813 -7.108 637 HD21 ASN 87 1HD2 ASN 87 5.195 -6.910 -8.080 638 HD22 ASN 87 2HD2 ASN 87 5.288 -7.288 -9.764 639 H GLY 88 H GLY 88 0.343 -7.338 -5.562 640 HA2 GLY 88 2HA GLY 88 -1.208 -8.374 -4.220 641 HA3 GLY 88 1HA GLY 88 -0.951 -9.799 -5.208 642 H LYS 89 H LYS 89 1.153 -8.031 -2.958 643 HA LYS 89 HA LYS 89 1.063 -9.958 -0.915 644 HB2 LYS 89 2HB LYS 89 3.464 -10.756 -1.196 645 HB3 LYS 89 1HB LYS 89 2.273 -11.453 -2.286 646 HG2 LYS 89 2HG LYS 89 2.986 -9.840 -4.020 647 HG3 LYS 89 1HG LYS 89 4.244 -9.270 -2.924 648 HD2 LYS 89 2HD LYS 89 4.964 -11.747 -2.824 649 HD3 LYS 89 1HD LYS 89 3.984 -11.931 -4.282 650 HE2 LYS 89 2HE LYS 89 6.395 -11.501 -4.732 651 HE3 LYS 89 1HE LYS 89 5.307 -10.315 -5.454 652 HZ1 LYS 89 3HZ LYS 89 7.439 -9.592 -4.122 653 HZ2 LYS 89 1HZ LYS 89 6.395 -9.733 -2.797 654 HZ3 LYS 89 2HZ LYS 89 6.016 -8.678 -4.064 655 H PHE 90 H PHE 90 1.872 -9.137 0.910 656 HA PHE 90 HA PHE 90 2.536 -6.444 1.137 657 HB2 PHE 90 2HB PHE 90 1.661 -7.713 3.023 658 HB3 PHE 90 1HB PHE 90 3.110 -8.710 3.062 659 HD1 PHE 90 2HD PHE 90 5.325 -7.563 3.597 660 HD2 PHE 90 1HD PHE 90 1.537 -5.733 4.250 661 HE1 PHE 90 2HE PHE 90 6.362 -5.990 5.176 662 HE2 PHE 90 1HE PHE 90 2.571 -4.158 5.832 663 HZ PHE 90 HZ PHE 90 4.985 -4.286 6.298 664 H TRP 91 H TRP 91 4.240 -5.453 0.369 665 HA TRP 91 HA TRP 91 6.823 -6.846 0.330 666 HB2 TRP 91 2HB TRP 91 5.875 -5.860 -1.806 667 HB3 TRP 91 1HB TRP 91 6.123 -4.272 -1.088 668 HD1 TRP 91 HD TRP 91 8.015 -7.168 -2.677 669 HE1 TRP 91 1HE TRP 91 10.444 -6.439 -3.115 670 HE3 TRP 91 3HE TRP 91 7.988 -2.706 -0.181 671 HZ2 TRP 91 2HZ TRP 91 12.125 -4.259 -2.488 672 HZ3 TRP 91 3HZ TRP 91 10.046 -1.361 -0.148 673 HH2 TRP 91 HH TRP 91 12.072 -2.124 -1.278 674 H GLY 92 H GLY 92 5.131 -4.074 1.649 675 HA2 GLY 92 2HA GLY 92 7.048 -3.734 3.713 676 HA3 GLY 92 1HA GLY 92 7.275 -2.500 2.486 677 H THR 93 H THR 93 6.614 -1.896 5.128 678 HA THR 93 HA THR 93 3.919 -0.768 4.778 679 HB THR 93 HB THR 93 3.870 -2.646 6.395 680 HG1 THR 93 1HG THR 93 2.365 -1.107 6.794 681 HG21 THR 93 3HG2 THR 93 5.153 -1.187 8.558 682 HG22 THR 93 1HG2 THR 93 6.279 -1.736 7.317 683 HG23 THR 93 2HG2 THR 93 5.233 -2.897 8.133 684 H GLU 94 H GLU 94 3.675 0.882 6.844 685 HA GLU 94 HA GLU 94 5.138 3.144 6.167 686 HB2 GLU 94 2HB GLU 94 4.259 4.140 8.252 687 HB3 GLU 94 1HB GLU 94 3.020 3.316 7.319 688 HG2 GLU 94 2HG GLU 94 3.151 1.397 8.825 689 HG3 GLU 94 1HG GLU 94 4.410 2.210 9.755 690 H SER 95 H SER 95 5.664 0.890 8.871 691 HA SER 95 HA SER 95 7.825 2.283 10.030 692 HB2 SER 95 2HB SER 95 7.139 -0.666 10.138 693 HB3 SER 95 1HB SER 95 8.321 0.133 11.177 694 HG SER 95 HG SER 95 6.600 1.462 11.939 695 H GLN 96 H GLN 96 7.660 -0.184 7.521 696 HA GLN 96 HA GLN 96 10.397 -0.741 7.314 697 HB2 GLN 96 2HB GLN 96 8.278 -1.848 6.207 698 HB3 GLN 96 1HB GLN 96 8.661 -0.757 4.882 699 HG2 GLN 96 2HG GLN 96 10.424 -1.968 4.237 700 HG3 GLN 96 1HG GLN 96 10.960 -2.247 5.892 701 HE21 GLN 96 1HE2 GLN 96 9.580 -3.821 7.139 702 HE22 GLN 96 2HE2 GLN 96 9.050 -5.229 6.293 703 H LEU 97 H LEU 97 8.484 1.930 6.090 704 HA LEU 97 HA LEU 97 10.215 2.881 4.104 705 HB2 LEU 97 2HB LEU 97 8.557 4.638 5.907 706 HB3 LEU 97 1HB LEU 97 9.081 4.978 4.270 707 HG LEU 97 HG LEU 97 7.015 2.938 5.102 708 HD11 LEU 97 1HD1 LEU 97 6.647 5.577 4.930 709 HD12 LEU 97 2HD1 LEU 97 5.413 4.404 4.470 710 HD13 LEU 97 3HD1 LEU 97 6.425 5.152 3.233 711 HD21 LEU 97 3HD2 LEU 97 8.476 2.272 3.149 712 HD22 LEU 97 1HD2 LEU 97 7.816 3.664 2.292 713 HD23 LEU 97 2HD2 LEU 97 6.747 2.367 2.821 714 H HIS 98 H HIS 98 9.953 4.000 7.500 715 HA HIS 98 HA HIS 98 12.207 5.675 7.412 716 HB2 HIS 98 2HB HIS 98 10.321 4.842 9.385 717 HB3 HIS 98 1HB HIS 98 11.936 4.638 10.056 718 HD1 HIS 98 1HD HIS 98 9.853 7.339 8.377 719 HD2 HIS 98 2HD HIS 98 13.042 6.934 11.014 720 HE1 HIS 98 1HE HIS 98 10.360 9.666 9.183 721 HE2 HIS 98 2HE HIS 98 12.262 9.392 10.812 722 H ARG 99 H ARG 99 11.876 2.248 8.229 723 HA ARG 99 HA ARG 99 14.520 1.876 9.146 724 HB2 ARG 99 2HB ARG 99 12.323 0.073 8.242 725 HB3 ARG 99 1HB ARG 99 13.946 -0.589 8.364 726 HG2 ARG 99 2HG ARG 99 13.057 0.954 10.700 727 HG3 ARG 99 1HG ARG 99 12.158 -0.531 10.388 728 HD2 ARG 99 2HD ARG 99 15.152 -0.538 10.356 729 HD3 ARG 99 1HD ARG 99 14.281 -0.600 11.886 730 HE ARG 99 HE ARG 99 13.278 -2.557 10.105 731 HH11 ARG 99 1HH1 ARG 99 16.049 -1.877 12.139 732 HH12 ARG 99 2HH1 ARG 99 16.428 -3.547 12.392 733 HH21 ARG 99 1HH2 ARG 99 13.791 -4.761 10.443 734 HH22 ARG 99 2HH2 ARG 99 15.150 -5.180 11.430 735 H PHE 100 H PHE 100 13.046 1.544 5.944 736 HA PHE 100 HA PHE 100 15.436 0.564 4.709 737 HB2 PHE 100 2HB PHE 100 12.740 1.395 3.771 738 HB3 PHE 100 1HB PHE 100 14.050 1.458 2.596 739 HD1 PHE 100 2HD PHE 100 12.948 -0.902 5.275 740 HD2 PHE 100 1HD PHE 100 14.174 -0.380 1.232 741 HE1 PHE 100 2HE PHE 100 12.729 -3.322 4.900 742 HE2 PHE 100 1HE PHE 100 13.956 -2.800 0.852 743 HZ PHE 100 HZ PHE 100 13.234 -4.273 2.687 744 H GLU 101 H GLU 101 13.929 3.741 5.074 745 HA GLU 101 HA GLU 101 15.688 5.125 3.331 746 HB2 GLU 101 2HB GLU 101 13.394 5.817 4.565 747 HB3 GLU 101 1HB GLU 101 14.550 6.598 5.635 748 HG2 GLU 101 2HG GLU 101 14.874 7.000 2.716 749 HG3 GLU 101 1HG GLU 101 13.540 7.819 3.525 750 H ALA 102 H ALA 102 15.598 4.877 6.867 751 HA ALA 102 HA ALA 102 17.939 6.332 7.379 752 HB1 ALA 102 1HB ALA 102 17.655 5.757 9.576 753 HB2 ALA 102 2HB ALA 102 17.147 4.111 9.199 754 HB3 ALA 102 3HB ALA 102 16.031 5.456 8.961 755 H LYS 103 H LYS 103 17.442 2.914 6.656 756 HA LYS 103 HA LYS 103 20.121 2.128 7.261 757 HB2 LYS 103 2HB LYS 103 17.812 0.825 5.852 758 HB3 LYS 103 1HB LYS 103 19.401 0.082 5.844 759 HG2 LYS 103 2HG LYS 103 18.373 0.904 8.481 760 HG3 LYS 103 1HG LYS 103 17.531 -0.429 7.689 761 HD2 LYS 103 2HD LYS 103 19.124 -1.758 8.504 762 HD3 LYS 103 1HD LYS 103 20.208 -1.026 7.319 763 HE2 LYS 103 2HE LYS 103 21.147 0.411 8.872 764 HE3 LYS 103 1HE LYS 103 19.758 0.313 9.953 765 HZ1 LYS 103 3HZ LYS 103 20.466 -1.663 10.834 766 HZ2 LYS 103 1HZ LYS 103 21.954 -0.920 10.529 767 HZ3 LYS 103 2HZ LYS 103 21.366 -2.100 9.470 768 H GLY 104 H GLY 104 18.490 3.393 4.448 769 HA2 GLY 104 2HA GLY 104 19.538 4.381 2.603 770 HA3 GLY 104 1HA GLY 104 21.046 3.609 3.073 771 H THR 105 H THR 105 18.135 1.711 2.891 772 HA THR 105 HA THR 105 19.147 0.465 0.417 773 HB THR 105 HB THR 105 18.309 -1.650 1.171 774 HG1 THR 105 1HG THR 105 17.163 -0.190 3.312 775 HG21 THR 105 3HG2 THR 105 20.401 -0.480 2.385 776 HG22 THR 105 1HG2 THR 105 19.874 -2.133 2.698 777 HG23 THR 105 2HG2 THR 105 19.378 -0.829 3.778 778 H LEU 106 H LEU 106 16.777 2.495 1.401 779 HA LEU 106 HA LEU 106 14.401 1.396 0.397 780 HB2 LEU 106 2HB LEU 106 14.905 3.600 1.750 781 HB3 LEU 106 1HB LEU 106 14.943 4.323 0.152 782 HG LEU 106 HG LEU 106 12.590 2.631 0.710 783 HD11 LEU 106 1HD1 LEU 106 11.565 3.908 2.294 784 HD12 LEU 106 2HD1 LEU 106 12.499 5.351 1.902 785 HD13 LEU 106 3HD1 LEU 106 13.235 4.050 2.837 786 HD21 LEU 106 3HD2 LEU 106 12.384 3.722 -1.289 787 HD22 LEU 106 1HD2 LEU 106 13.255 5.149 -0.731 788 HD23 LEU 106 2HD2 LEU 106 11.588 4.880 -0.223 789 H GLU 107 H GLU 107 16.624 3.704 -1.202 790 HA GLU 107 HA GLU 107 15.347 3.520 -3.729 791 HB2 GLU 107 2HB GLU 107 17.160 5.221 -2.680 792 HB3 GLU 107 1HB GLU 107 18.223 4.227 -3.667 793 HG2 GLU 107 2HG GLU 107 16.592 4.666 -5.571 794 HG3 GLU 107 1HG GLU 107 15.907 5.918 -4.539 795 H GLU 108 H GLU 108 18.068 1.810 -2.270 796 HA GLU 108 HA GLU 108 19.016 0.490 -4.554 797 HB2 GLU 108 2HB GLU 108 20.137 0.626 -2.291 798 HB3 GLU 108 1HB GLU 108 19.028 -0.626 -1.746 799 HG2 GLU 108 2HG GLU 108 19.934 -1.971 -3.757 800 HG3 GLU 108 1HG GLU 108 21.261 -0.810 -3.723 801 H GLU 109 H GLU 109 16.713 -0.642 -2.070 802 HA GLU 109 HA GLU 109 16.125 -3.100 -3.315 803 HB2 GLU 109 2HB GLU 109 15.519 -2.031 -0.913 804 HB3 GLU 109 1HB GLU 109 13.978 -1.815 -1.730 805 HG2 GLU 109 2HG GLU 109 13.625 -3.873 -0.869 806 HG3 GLU 109 1HG GLU 109 14.392 -4.350 -2.381 807 H LEU 110 H LEU 110 14.775 0.130 -3.718 808 HA LEU 110 HA LEU 110 12.452 -0.548 -5.133 809 HB2 LEU 110 2HB LEU 110 14.165 1.903 -4.993 810 HB3 LEU 110 1HB LEU 110 12.868 1.817 -6.166 811 HG LEU 110 HG LEU 110 12.489 1.497 -3.190 812 HD11 LEU 110 1HD1 LEU 110 12.592 3.876 -4.927 813 HD12 LEU 110 2HD1 LEU 110 12.907 3.711 -3.200 814 HD13 LEU 110 3HD1 LEU 110 11.247 3.802 -3.789 815 HD21 LEU 110 3HD2 LEU 110 10.636 0.474 -4.028 816 HD22 LEU 110 1HD2 LEU 110 10.689 1.366 -5.549 817 HD23 LEU 110 2HD2 LEU 110 10.079 2.145 -4.089 818 H THR 111 H THR 111 15.753 0.115 -6.266 819 HA THR 111 HA THR 111 15.134 -0.113 -9.031 820 HB THR 111 HB THR 111 17.854 -0.606 -7.824 821 HG1 THR 111 1HG THR 111 16.624 1.900 -8.337 822 HG21 THR 111 3HG2 THR 111 18.432 0.859 -9.898 823 HG22 THR 111 1HG2 THR 111 16.865 0.297 -10.484 824 HG23 THR 111 2HG2 THR 111 18.126 -0.868 -10.083 825 H LYS 112 H LYS 112 15.945 -2.424 -6.532 826 HA LYS 112 HA LYS 112 16.766 -4.589 -8.106 827 HB2 LYS 112 2HB LYS 112 16.886 -4.404 -5.593 828 HB3 LYS 112 1HB LYS 112 15.167 -4.769 -5.545 829 HG2 LYS 112 2HG LYS 112 16.019 -6.850 -7.010 830 HG3 LYS 112 1HG LYS 112 17.476 -6.533 -6.063 831 HD2 LYS 112 2HD LYS 112 15.551 -6.373 -4.147 832 HD3 LYS 112 1HD LYS 112 14.865 -7.594 -5.222 833 HE2 LYS 112 2HE LYS 112 17.703 -8.006 -4.722 834 HE3 LYS 112 1HE LYS 112 16.746 -8.019 -3.241 835 HZ1 LYS 112 3HZ LYS 112 15.938 -9.605 -5.602 836 HZ2 LYS 112 1HZ LYS 112 15.484 -9.811 -3.985 837 HZ3 LYS 112 2HZ LYS 112 17.050 -10.208 -4.480 838 H ILE 113 H ILE 113 13.500 -3.801 -6.883 839 HA ILE 113 HA ILE 113 12.234 -5.928 -8.302 840 HB ILE 113 HB ILE 113 10.098 -4.699 -7.782 841 HG12 ILE 113 2HG1 ILE 113 11.777 -2.918 -6.028 842 HG13 ILE 113 1HG1 ILE 113 11.364 -2.440 -7.671 843 HG21 ILE 113 1HG2 ILE 113 11.532 -4.920 -5.207 844 HG22 ILE 113 2HG2 ILE 113 11.562 -6.335 -6.259 845 HG23 ILE 113 3HG2 ILE 113 10.021 -5.658 -5.736 846 HD11 ILE 113 3HD1 ILE 113 9.895 -1.637 -5.724 847 HD12 ILE 113 1HD1 ILE 113 9.236 -3.273 -5.750 848 HD13 ILE 113 2HD1 ILE 113 9.113 -2.250 -7.182 849 H GLY 114 H GLY 114 13.107 -2.669 -9.144 850 HA2 GLY 114 2HA GLY 114 13.295 -2.088 -11.471 851 HA3 GLY 114 1HA GLY 114 11.891 -3.092 -11.794 852 H LEU 115 H LEU 115 11.847 -0.984 -9.032 853 HA LEU 115 HA LEU 115 9.664 0.517 -10.215 854 HB2 LEU 115 2HB LEU 115 9.891 -0.398 -7.774 855 HB3 LEU 115 1HB LEU 115 10.805 1.073 -7.505 856 HG LEU 115 HG LEU 115 8.186 1.452 -8.808 857 HD11 LEU 115 1HD1 LEU 115 7.300 -0.117 -7.372 858 HD12 LEU 115 2HD1 LEU 115 7.163 1.360 -6.420 859 HD13 LEU 115 3HD1 LEU 115 8.473 0.225 -6.100 860 HD21 LEU 115 3HD2 LEU 115 8.117 3.259 -7.036 861 HD22 LEU 115 1HD2 LEU 115 9.400 3.390 -8.237 862 HD23 LEU 115 2HD2 LEU 115 9.763 2.782 -6.622 863 H LEU 116 H LEU 116 12.828 1.249 -8.745 864 HA LEU 116 HA LEU 116 12.738 3.925 -9.949 865 HB2 LEU 116 2HB LEU 116 14.097 2.731 -7.604 866 HB3 LEU 116 1HB LEU 116 15.004 3.945 -8.484 867 HG LEU 116 HG LEU 116 13.728 4.830 -6.536 868 HD11 LEU 116 1HD1 LEU 116 12.827 6.776 -7.706 869 HD12 LEU 116 2HD1 LEU 116 12.919 5.899 -9.234 870 HD13 LEU 116 3HD1 LEU 116 14.396 6.297 -8.354 871 HD21 LEU 116 3HD2 LEU 116 11.312 5.092 -6.722 872 HD22 LEU 116 1HD2 LEU 116 11.761 3.386 -6.725 873 HD23 LEU 116 2HD2 LEU 116 11.321 4.185 -8.235 874 HA PRO 117 HA PRO 117 15.407 2.788 -13.296 875 HB2 PRO 117 2HB PRO 117 16.594 5.486 -12.863 876 HB3 PRO 117 1HB PRO 117 15.942 4.768 -14.340 877 HG2 PRO 117 2HG PRO 117 14.560 6.609 -13.012 878 HG3 PRO 117 1HG PRO 117 13.744 5.213 -13.742 879 HD2 PRO 117 2HD PRO 117 14.424 5.726 -10.877 880 HD3 PRO 117 1HD PRO 117 12.984 4.958 -11.575 Start of MODEL 12 1 H MET 9 1HT MET 9 -21.066 -13.981 0.338 2 HA MET 9 HA MET 9 -19.058 -12.902 0.148 3 HB2 MET 9 2HB MET 9 -19.315 -15.402 1.231 4 HB3 MET 9 1HB MET 9 -17.916 -15.619 0.189 5 HG2 MET 9 2HG MET 9 -17.331 -13.264 1.433 6 HG3 MET 9 1HG MET 9 -18.187 -14.149 2.695 7 HE1 MET 9 2HE MET 9 -14.121 -13.956 1.870 8 HE2 MET 9 3HE MET 9 -14.650 -14.016 3.551 9 HE3 MET 9 1HE MET 9 -15.456 -12.939 2.409 10 H SER 10 H SER 10 -16.579 -13.717 -0.566 11 HA SER 10 HA SER 10 -15.063 -13.733 -2.251 12 HB2 SER 10 2HB SER 10 -17.155 -15.005 -4.011 13 HB3 SER 10 1HB SER 10 -15.404 -15.150 -4.125 14 HG SER 10 HG SER 10 -17.194 -16.466 -2.463 15 H ALA 11 H ALA 11 -17.194 -11.576 -1.981 16 HA ALA 11 HA ALA 11 -17.383 -10.547 -4.694 17 HB1 ALA 11 1HB ALA 11 -19.106 -10.366 -2.642 18 HB2 ALA 11 2HB ALA 11 -19.035 -9.188 -3.952 19 HB3 ALA 11 3HB ALA 11 -18.225 -8.855 -2.422 20 H PHE 12 H PHE 12 -15.535 -10.069 -1.776 21 HA PHE 12 HA PHE 12 -14.168 -7.761 -2.968 22 HB2 PHE 12 2HB PHE 12 -14.831 -8.541 -0.231 23 HB3 PHE 12 1HB PHE 12 -13.144 -8.080 -0.413 24 HD1 PHE 12 1HD PHE 12 -12.831 -5.863 -1.899 25 HD2 PHE 12 2HD PHE 12 -16.300 -6.884 0.345 26 HE1 PHE 12 1HE PHE 12 -13.463 -3.487 -1.800 27 HE2 PHE 12 2HE PHE 12 -16.938 -4.511 0.447 28 HZ PHE 12 HZ PHE 12 -15.518 -2.808 -0.627 29 H VAL 13 H VAL 13 -13.691 -11.056 -1.844 30 HA VAL 13 HA VAL 13 -10.868 -11.075 -1.834 31 HB VAL 13 HB VAL 13 -12.665 -13.438 -2.424 32 HG11 VAL 13 1HG1 VAL 13 -10.877 -14.816 -1.803 33 HG12 VAL 13 2HG1 VAL 13 -9.988 -13.485 -1.064 34 HG13 VAL 13 3HG1 VAL 13 -10.139 -13.578 -2.820 35 HG21 VAL 13 3HG2 VAL 13 -12.828 -11.899 -0.176 36 HG22 VAL 13 1HG2 VAL 13 -11.644 -13.114 0.307 37 HG23 VAL 13 2HG2 VAL 13 -13.238 -13.611 -0.259 38 H THR 14 H THR 14 -13.132 -12.316 -4.319 39 HA THR 14 HA THR 14 -11.174 -12.892 -6.237 40 HB THR 14 HB THR 14 -13.953 -12.032 -6.990 41 HG1 THR 14 1HG THR 14 -13.205 -14.485 -5.777 42 HG21 THR 14 3HG2 THR 14 -13.819 -13.638 -8.697 43 HG22 THR 14 1HG2 THR 14 -12.377 -14.378 -7.998 44 HG23 THR 14 2HG2 THR 14 -12.282 -12.774 -8.725 45 H LYS 15 H LYS 15 -13.123 -9.950 -5.755 46 HA LYS 15 HA LYS 15 -12.185 -8.545 -8.007 47 HB2 LYS 15 2HB LYS 15 -13.192 -7.487 -5.360 48 HB3 LYS 15 1HB LYS 15 -12.918 -6.499 -6.787 49 HG2 LYS 15 2HG LYS 15 -14.785 -8.848 -6.808 50 HG3 LYS 15 1HG LYS 15 -15.299 -7.232 -6.323 51 HD2 LYS 15 2HD LYS 15 -15.254 -6.444 -8.436 52 HD3 LYS 15 1HD LYS 15 -13.812 -7.367 -8.859 53 HE2 LYS 15 2HE LYS 15 -16.228 -8.975 -8.390 54 HE3 LYS 15 1HE LYS 15 -16.316 -7.894 -9.778 55 HZ1 LYS 15 3HZ LYS 15 -13.977 -8.922 -10.276 56 HZ2 LYS 15 1HZ LYS 15 -15.390 -9.741 -10.720 57 HZ3 LYS 15 2HZ LYS 15 -14.554 -10.195 -9.323 58 H ALA 16 H ALA 16 -10.866 -8.949 -4.774 59 HA ALA 16 HA ALA 16 -8.898 -6.927 -4.896 60 HB1 ALA 16 1HB ALA 16 -9.385 -7.782 -2.758 61 HB2 ALA 16 2HB ALA 16 -7.751 -8.337 -3.120 62 HB3 ALA 16 3HB ALA 16 -9.112 -9.448 -3.273 63 H GLU 17 H GLU 17 -9.002 -10.213 -6.115 64 HA GLU 17 HA GLU 17 -6.188 -10.359 -6.672 65 HB2 GLU 17 2HB GLU 17 -8.533 -12.057 -7.518 66 HB3 GLU 17 1HB GLU 17 -6.881 -12.385 -8.024 67 HG2 GLU 17 2HG GLU 17 -6.208 -12.998 -5.912 68 HG3 GLU 17 1HG GLU 17 -7.499 -12.093 -5.123 69 H GLU 18 H GLU 18 -9.036 -9.257 -8.368 70 HA GLU 18 HA GLU 18 -7.870 -9.265 -10.974 71 HB2 GLU 18 2HB GLU 18 -10.213 -7.639 -9.966 72 HB3 GLU 18 1HB GLU 18 -9.803 -7.944 -11.647 73 HG2 GLU 18 2HG GLU 18 -10.746 -9.952 -9.616 74 HG3 GLU 18 1HG GLU 18 -11.623 -9.359 -11.026 75 H MET 19 H MET 19 -8.079 -6.900 -8.354 76 HA MET 19 HA MET 19 -7.136 -4.704 -9.899 77 HB2 MET 19 2HB MET 19 -6.741 -3.595 -7.704 78 HB3 MET 19 1HB MET 19 -8.370 -4.211 -7.912 79 HG2 MET 19 2HG MET 19 -7.954 -6.038 -6.454 80 HG3 MET 19 1HG MET 19 -6.228 -5.686 -6.408 81 HE1 MET 19 3HE MET 19 -9.700 -3.572 -4.481 82 HE2 MET 19 1HE MET 19 -9.564 -4.107 -6.157 83 HE3 MET 19 2HE MET 19 -9.003 -2.500 -5.694 84 H ILE 20 H ILE 20 -5.511 -7.051 -7.775 85 HA ILE 20 HA ILE 20 -2.953 -5.813 -8.011 86 HB ILE 20 HB ILE 20 -2.099 -7.937 -7.043 87 HG12 ILE 20 2HG1 ILE 20 -4.802 -8.895 -6.379 88 HG13 ILE 20 1HG1 ILE 20 -4.342 -9.093 -8.066 89 HG21 ILE 20 1HG2 ILE 20 -3.278 -5.901 -5.808 90 HG22 ILE 20 2HG2 ILE 20 -2.641 -7.298 -4.940 91 HG23 ILE 20 3HG2 ILE 20 -4.365 -7.194 -5.300 92 HD11 ILE 20 3HD1 ILE 20 -2.451 -9.971 -5.949 93 HD12 ILE 20 1HD1 ILE 20 -2.695 -10.598 -7.581 94 HD13 ILE 20 2HD1 ILE 20 -3.864 -10.962 -6.311 95 H LYS 21 H LYS 21 -4.786 -7.947 -9.999 96 HA LYS 21 HA LYS 21 -2.733 -9.348 -11.296 97 HB2 LYS 21 2HB LYS 21 -5.413 -9.459 -11.398 98 HB3 LYS 21 1HB LYS 21 -5.112 -8.560 -12.879 99 HG2 LYS 21 2HG LYS 21 -3.682 -11.126 -12.279 100 HG3 LYS 21 1HG LYS 21 -5.276 -11.102 -13.033 101 HD2 LYS 21 2HD LYS 21 -4.456 -10.436 -15.014 102 HD3 LYS 21 1HD LYS 21 -3.355 -9.276 -14.274 103 HE2 LYS 21 2HE LYS 21 -2.328 -11.770 -13.581 104 HE3 LYS 21 1HE LYS 21 -2.843 -11.950 -15.257 105 HZ1 LYS 21 3HZ LYS 21 -1.277 -9.578 -14.505 106 HZ2 LYS 21 1HZ LYS 21 -1.340 -10.406 -15.982 107 HZ3 LYS 21 2HZ LYS 21 -0.477 -11.058 -14.683 108 H SER 22 H SER 22 -4.562 -6.539 -12.535 109 HA SER 22 HA SER 22 -2.471 -6.004 -14.477 110 HB2 SER 22 2HB SER 22 -5.271 -5.089 -14.059 111 HB3 SER 22 1HB SER 22 -4.180 -3.989 -14.899 112 HG SER 22 HG SER 22 -4.715 -6.687 -15.614 113 H HIS 23 H HIS 23 -3.422 -4.898 -11.354 114 HA HIS 23 HA HIS 23 -1.436 -2.734 -11.560 115 HB2 HIS 23 2HB HIS 23 -4.005 -2.616 -9.962 116 HB3 HIS 23 1HB HIS 23 -2.778 -1.358 -10.043 117 HD1 HIS 23 1HD HIS 23 -2.946 0.288 -11.935 118 HD2 HIS 23 2HD HIS 23 -5.450 -2.989 -12.438 119 HE1 HIS 23 1HE HIS 23 -4.404 0.853 -13.902 120 HE2 HIS 23 2HE HIS 23 -5.827 -1.194 -14.261 121 HA PRO 24 HA PRO 24 -0.357 -5.775 -8.176 122 HB2 PRO 24 2HB PRO 24 2.287 -5.904 -8.823 123 HB3 PRO 24 1HB PRO 24 1.058 -6.964 -9.524 124 HG2 PRO 24 2HG PRO 24 2.286 -4.478 -10.659 125 HG3 PRO 24 1HG PRO 24 1.942 -6.024 -11.459 126 HD2 PRO 24 2HD PRO 24 0.331 -3.883 -11.744 127 HD3 PRO 24 1HD PRO 24 -0.302 -5.540 -11.711 128 H TYR 25 H TYR 25 0.889 -2.683 -9.238 129 HA TYR 25 HA TYR 25 2.329 -2.224 -6.756 130 HB2 TYR 25 2HB TYR 25 2.002 -0.719 -9.335 131 HB3 TYR 25 1HB TYR 25 2.592 0.111 -7.903 132 HD1 TYR 25 2HD TYR 25 4.381 -1.794 -6.649 133 HD2 TYR 25 1HD TYR 25 3.772 -1.001 -10.788 134 HE1 TYR 25 2HE TYR 25 6.659 -2.581 -7.132 135 HE2 TYR 25 1HE TYR 25 6.050 -1.786 -11.277 136 HH TYR 25 HH TYR 25 8.291 -1.945 -9.854 137 H PHE 26 H PHE 26 0.224 -2.544 -5.572 138 HA PHE 26 HA PHE 26 -1.449 -0.129 -5.612 139 HB2 PHE 26 2HB PHE 26 -2.046 -2.920 -5.374 140 HB3 PHE 26 1HB PHE 26 -2.569 -2.103 -3.905 141 HD1 PHE 26 1HD PHE 26 -2.613 -1.297 -7.559 142 HD2 PHE 26 2HD PHE 26 -4.794 -1.581 -3.913 143 HE1 PHE 26 1HE PHE 26 -4.643 -0.523 -8.714 144 HE2 PHE 26 2HE PHE 26 -6.825 -0.808 -5.065 145 HZ PHE 26 HZ PHE 26 -6.751 -0.278 -7.468 146 H GLN 27 H GLN 27 -1.752 1.111 -3.812 147 HA GLN 27 HA GLN 27 -0.510 0.298 -1.293 148 HB2 GLN 27 2HB GLN 27 0.254 2.695 -2.932 149 HB3 GLN 27 1HB GLN 27 0.402 2.739 -1.180 150 HG2 GLN 27 2HG GLN 27 1.788 0.633 -1.378 151 HG3 GLN 27 1HG GLN 27 1.814 0.929 -3.116 152 HE21 GLN 27 1HE2 GLN 27 3.710 1.733 -3.678 153 HE22 GLN 27 2HE2 GLN 27 4.594 2.946 -2.824 154 H LEU 28 H LEU 28 -2.236 0.333 0.017 155 HA LEU 28 HA LEU 28 -4.279 2.383 -0.283 156 HB2 LEU 28 2HB LEU 28 -4.775 -0.069 0.159 157 HB3 LEU 28 1HB LEU 28 -4.184 0.195 1.788 158 HG LEU 28 HG LEU 28 -6.435 1.828 0.640 159 HD11 LEU 28 1HD1 LEU 28 -8.008 0.318 1.676 160 HD12 LEU 28 2HD1 LEU 28 -6.694 -0.725 2.221 161 HD13 LEU 28 3HD1 LEU 28 -7.029 -0.556 0.497 162 HD21 LEU 28 3HD2 LEU 28 -6.873 1.628 3.289 163 HD22 LEU 28 1HD2 LEU 28 -5.929 2.919 2.547 164 HD23 LEU 28 2HD2 LEU 28 -5.113 1.527 3.256 165 H SER 29 H SER 29 -4.345 4.196 0.860 166 HA SER 29 HA SER 29 -3.095 4.303 3.504 167 HB2 SER 29 2HB SER 29 -1.749 5.297 1.341 168 HB3 SER 29 1HB SER 29 -2.637 6.722 1.885 169 HG SER 29 HG SER 29 -1.382 6.839 3.566 170 H ALA 30 H ALA 30 -3.595 6.542 4.542 171 HA ALA 30 HA ALA 30 -6.014 7.829 3.667 172 HB1 ALA 30 1HB ALA 30 -6.773 5.675 4.779 173 HB2 ALA 30 2HB ALA 30 -7.481 7.170 5.391 174 HB3 ALA 30 3HB ALA 30 -6.191 6.373 6.290 175 H SER 31 H SER 31 -6.382 9.795 4.709 176 HA SER 31 HA SER 31 -4.112 10.895 6.084 177 HB2 SER 31 2HB SER 31 -5.520 12.172 4.433 178 HB3 SER 31 1HB SER 31 -6.805 12.200 5.640 179 HG SER 31 HG SER 31 -5.820 13.957 6.262 180 H TRP 32 H TRP 32 -4.207 9.382 7.903 181 HA TRP 32 HA TRP 32 -5.805 10.506 10.078 182 HB2 TRP 32 2HB TRP 32 -6.848 8.354 9.012 183 HB3 TRP 32 1HB TRP 32 -5.570 7.520 9.887 184 HD1 TRP 32 HD TRP 32 -5.561 8.067 12.661 185 HE1 TRP 32 1HE TRP 32 -7.591 8.235 14.232 186 HE3 TRP 32 3HE TRP 32 -9.208 8.944 9.184 187 HZ2 TRP 32 2HZ TRP 32 -10.372 8.680 14.025 188 HZ3 TRP 32 3HZ TRP 32 -11.527 9.229 9.957 189 HH2 TRP 32 HH TRP 32 -12.094 9.099 12.328 190 H CYS 33 H CYS 33 -3.364 8.012 9.304 191 HA CYS 33 HA CYS 33 -2.041 8.481 11.850 192 HB2 CYS 33 2HB CYS 33 -2.356 6.227 10.328 193 HB3 CYS 33 1HB CYS 33 -0.717 6.709 9.905 194 HG CYS 33 HG CYS 33 -1.287 5.162 12.253 195 HA PRO 34 HA PRO 34 0.893 11.494 10.463 196 HB2 PRO 34 2HB PRO 34 2.842 9.922 12.082 197 HB3 PRO 34 1HB PRO 34 2.463 11.648 12.141 198 HG2 PRO 34 2HG PRO 34 1.567 10.017 14.032 199 HG3 PRO 34 1HG PRO 34 0.539 11.317 13.400 200 HD2 PRO 34 2HD PRO 34 0.455 8.384 12.826 201 HD3 PRO 34 1HD PRO 34 -0.884 9.533 13.024 202 H ASP 35 H ASP 35 1.818 8.067 10.410 203 HA ASP 35 HA ASP 35 4.031 8.356 8.673 204 HB2 ASP 35 2HB ASP 35 2.400 6.094 9.685 205 HB3 ASP 35 1HB ASP 35 3.314 5.812 8.206 206 H CYS 36 H CYS 36 0.586 7.925 8.090 207 HA CYS 36 HA CYS 36 0.672 7.182 5.399 208 HB2 CYS 36 2HB CYS 36 -1.409 8.868 6.808 209 HB3 CYS 36 1HB CYS 36 -1.623 8.074 5.251 210 HG CYS 36 HG CYS 36 -1.962 6.775 7.945 211 H VAL 37 H VAL 37 0.409 10.447 6.814 212 HA VAL 37 HA VAL 37 0.442 11.872 4.397 213 HB VAL 37 HB VAL 37 1.588 12.841 7.022 214 HG11 VAL 37 1HG1 VAL 37 1.731 14.059 4.615 215 HG12 VAL 37 2HG1 VAL 37 1.649 14.919 6.152 216 HG13 VAL 37 3HG1 VAL 37 0.186 14.680 5.197 217 HG21 VAL 37 3HG2 VAL 37 -1.133 13.668 6.355 218 HG22 VAL 37 1HG2 VAL 37 -0.466 13.089 7.882 219 HG23 VAL 37 2HG2 VAL 37 -0.979 11.937 6.652 220 H TYR 38 H TYR 38 3.082 10.726 6.459 221 HA TYR 38 HA TYR 38 5.217 11.999 5.163 222 HB2 TYR 38 2HB TYR 38 5.484 10.902 7.330 223 HB3 TYR 38 1HB TYR 38 5.160 9.335 6.596 224 HD1 TYR 38 2HD TYR 38 7.600 12.092 6.823 225 HD2 TYR 38 1HD TYR 38 6.869 8.143 5.420 226 HE1 TYR 38 2HE TYR 38 10.000 11.814 6.370 227 HE2 TYR 38 1HE TYR 38 9.267 7.856 4.963 228 HH TYR 38 HH TYR 38 11.467 8.938 5.917 229 H ALA 39 H ALA 39 3.813 8.765 4.636 230 HA ALA 39 HA ALA 39 5.515 7.903 2.608 231 HB1 ALA 39 1HB ALA 39 4.123 6.130 2.380 232 HB2 ALA 39 2HB ALA 39 2.668 7.126 2.385 233 HB3 ALA 39 3HB ALA 39 3.483 6.750 3.904 234 H ASN 40 H ASN 40 2.550 9.844 2.385 235 HA ASN 40 HA ASN 40 2.509 9.896 -0.466 236 HB2 ASN 40 2HB ASN 40 0.954 11.093 1.727 237 HB3 ASN 40 1HB ASN 40 1.073 12.109 0.294 238 HD21 ASN 40 1HD2 ASN 40 -1.292 10.906 1.310 239 HD22 ASN 40 2HD2 ASN 40 -1.878 9.816 0.104 240 H SER 41 H SER 41 3.944 11.870 2.040 241 HA SER 41 HA SER 41 4.536 14.136 0.513 242 HB2 SER 41 2HB SER 41 4.699 14.216 2.923 243 HB3 SER 41 1HB SER 41 5.950 12.975 2.919 244 HG SER 41 HG SER 41 7.402 14.407 2.245 245 H ILE 42 H ILE 42 6.418 11.180 1.110 246 HA ILE 42 HA ILE 42 8.744 11.971 -0.263 247 HB ILE 42 HB ILE 42 7.728 9.144 0.046 248 HG12 ILE 42 2HG1 ILE 42 7.822 10.323 2.218 249 HG13 ILE 42 1HG1 ILE 42 9.035 9.054 2.108 250 HG21 ILE 42 1HG2 ILE 42 9.542 9.379 -1.564 251 HG22 ILE 42 2HG2 ILE 42 10.093 8.535 -0.116 252 HG23 ILE 42 3HG2 ILE 42 10.512 10.229 -0.362 253 HD11 ILE 42 3HD1 ILE 42 10.055 11.614 1.217 254 HD12 ILE 42 1HD1 ILE 42 10.692 10.494 2.422 255 HD13 ILE 42 2HD1 ILE 42 9.452 11.665 2.874 256 H TRP 43 H TRP 43 5.982 10.000 -1.383 257 HA TRP 43 HA TRP 43 6.954 9.666 -4.014 258 HB2 TRP 43 2HB TRP 43 4.079 9.593 -3.078 259 HB3 TRP 43 1HB TRP 43 4.704 8.915 -4.578 260 HD1 TRP 43 HD TRP 43 3.427 7.570 -1.641 261 HE1 TRP 43 1HE TRP 43 4.586 5.403 -0.879 262 HE3 TRP 43 3HE TRP 43 7.731 7.942 -4.375 263 HZ2 TRP 43 2HZ TRP 43 7.003 4.031 -1.372 264 HZ3 TRP 43 3HZ TRP 43 9.414 6.162 -4.172 265 HH2 TRP 43 HH TRP 43 9.058 4.247 -2.699 266 H ASN 44 H ASN 44 5.060 12.193 -2.485 267 HA ASN 44 HA ASN 44 4.182 13.483 -4.846 268 HB2 ASN 44 2HB ASN 44 4.312 14.146 -1.962 269 HB3 ASN 44 1HB ASN 44 4.271 15.518 -3.064 270 HD21 ASN 44 1HD2 ASN 44 2.256 16.272 -2.915 271 HD22 ASN 44 2HD2 ASN 44 0.821 15.336 -3.135 272 H LYS 45 H LYS 45 7.113 13.763 -2.893 273 HA LYS 45 HA LYS 45 8.100 16.000 -4.437 274 HB2 LYS 45 2HB LYS 45 8.539 15.490 -1.928 275 HB3 LYS 45 1HB LYS 45 9.766 14.383 -2.531 276 HG2 LYS 45 2HG LYS 45 10.591 16.450 -3.881 277 HG3 LYS 45 1HG LYS 45 9.662 17.365 -2.693 278 HD2 LYS 45 2HD LYS 45 11.955 17.210 -1.965 279 HD3 LYS 45 1HD LYS 45 10.941 16.248 -0.889 280 HE2 LYS 45 2HE LYS 45 12.116 14.414 -1.342 281 HE3 LYS 45 1HE LYS 45 11.853 14.627 -3.072 282 HZ1 LYS 45 3HZ LYS 45 14.250 14.699 -1.966 283 HZ2 LYS 45 1HZ LYS 45 13.865 16.341 -1.842 284 HZ3 LYS 45 2HZ LYS 45 13.865 15.583 -3.355 285 H LEU 46 H LEU 46 8.442 12.517 -4.443 286 HA LEU 46 HA LEU 46 10.795 12.530 -6.101 287 HB2 LEU 46 2HB LEU 46 8.977 10.416 -5.029 288 HB3 LEU 46 1HB LEU 46 10.067 10.024 -6.344 289 HG LEU 46 HG LEU 46 11.003 11.180 -3.719 290 HD11 LEU 46 1HD1 LEU 46 9.828 8.782 -3.862 291 HD12 LEU 46 2HD1 LEU 46 11.197 9.121 -2.804 292 HD13 LEU 46 3HD1 LEU 46 11.459 8.331 -4.359 293 HD21 LEU 46 3HD2 LEU 46 13.131 10.907 -4.477 294 HD22 LEU 46 1HD2 LEU 46 12.336 11.179 -6.028 295 HD23 LEU 46 2HD2 LEU 46 12.708 9.537 -5.505 296 H ASN 47 H ASN 47 7.545 13.099 -6.751 297 HA ASN 47 HA ASN 47 6.271 13.140 -8.625 298 HB2 ASN 47 2HB ASN 47 8.125 14.634 -9.311 299 HB3 ASN 47 1HB ASN 47 8.960 13.248 -9.998 300 HD21 ASN 47 1HD2 ASN 47 8.773 13.123 -12.118 301 HD22 ASN 47 2HD2 ASN 47 7.408 13.626 -13.050 302 H VAL 48 H VAL 48 6.426 10.628 -7.665 303 HA VAL 48 HA VAL 48 6.619 8.987 -10.108 304 HB VAL 48 HB VAL 48 7.257 7.048 -8.678 305 HG11 VAL 48 1HG1 VAL 48 9.085 7.869 -9.799 306 HG12 VAL 48 2HG1 VAL 48 9.619 8.037 -8.127 307 HG13 VAL 48 3HG1 VAL 48 9.007 9.439 -9.002 308 HG21 VAL 48 3HG2 VAL 48 8.218 7.568 -6.429 309 HG22 VAL 48 1HG2 VAL 48 6.466 7.735 -6.533 310 HG23 VAL 48 2HG2 VAL 48 7.490 9.170 -6.550 311 H GLN 49 H GLN 49 4.272 10.299 -9.229 312 HA GLN 49 HA GLN 49 2.636 8.246 -7.951 313 HB2 GLN 49 2HB GLN 49 2.588 10.834 -7.499 314 HB3 GLN 49 1HB GLN 49 1.545 10.864 -8.914 315 HG2 GLN 49 2HG GLN 49 0.178 9.069 -7.708 316 HG3 GLN 49 1HG GLN 49 1.080 9.541 -6.269 317 HE21 GLN 49 1HE2 GLN 49 -1.031 10.753 -8.816 318 HE22 GLN 49 2HE2 GLN 49 -1.704 12.047 -7.893 319 H ASP 50 H ASP 50 3.728 8.259 -10.852 320 HA ASP 50 HA ASP 50 1.153 7.819 -12.208 321 HB2 ASP 50 2HB ASP 50 3.154 9.486 -13.017 322 HB3 ASP 50 1HB ASP 50 3.588 8.006 -13.867 323 H LYS 51 H LYS 51 4.435 6.554 -11.770 324 HA LYS 51 HA LYS 51 3.982 4.149 -13.235 325 HB2 LYS 51 2HB LYS 51 6.100 4.780 -11.170 326 HB3 LYS 51 1HB LYS 51 6.122 3.412 -12.273 327 HG2 LYS 51 2HG LYS 51 6.890 4.645 -13.980 328 HG3 LYS 51 1HG LYS 51 5.844 6.013 -13.592 329 HD2 LYS 51 2HD LYS 51 7.542 6.149 -11.517 330 HD3 LYS 51 1HD LYS 51 8.610 5.421 -12.720 331 HE2 LYS 51 2HE LYS 51 7.000 7.715 -13.642 332 HE3 LYS 51 1HE LYS 51 8.235 8.080 -12.440 333 HZ1 LYS 51 3HZ LYS 51 9.356 8.311 -14.427 334 HZ2 LYS 51 1HZ LYS 51 8.566 7.010 -15.166 335 HZ3 LYS 51 2HZ LYS 51 9.754 6.726 -13.997 336 H VAL 52 H VAL 52 3.364 5.138 -9.955 337 HA VAL 52 HA VAL 52 2.760 2.363 -9.185 338 HB VAL 52 HB VAL 52 3.045 4.743 -7.342 339 HG11 VAL 52 1HG1 VAL 52 3.526 2.770 -5.724 340 HG12 VAL 52 2HG1 VAL 52 2.685 1.803 -6.934 341 HG13 VAL 52 3HG1 VAL 52 1.861 3.155 -6.155 342 HG21 VAL 52 3HG2 VAL 52 5.277 4.009 -6.827 343 HG22 VAL 52 1HG2 VAL 52 5.156 4.267 -8.567 344 HG23 VAL 52 2HG2 VAL 52 5.121 2.629 -7.912 345 H PHE 53 H PHE 53 0.779 2.014 -7.904 346 HA PHE 53 HA PHE 53 -1.326 3.942 -8.592 347 HB2 PHE 53 2HB PHE 53 -1.179 1.325 -9.415 348 HB3 PHE 53 1HB PHE 53 -2.184 1.194 -7.975 349 HD1 PHE 53 1HD PHE 53 -1.889 2.919 -11.243 350 HD2 PHE 53 2HD PHE 53 -4.447 1.803 -8.029 351 HE1 PHE 53 1HE PHE 53 -3.844 3.640 -12.553 352 HE2 PHE 53 2HE PHE 53 -6.405 2.521 -9.335 353 HZ PHE 53 HZ PHE 53 -6.104 3.440 -11.599 354 H VAL 54 H VAL 54 -1.843 5.040 -6.879 355 HA VAL 54 HA VAL 54 -1.833 3.770 -4.229 356 HB VAL 54 HB VAL 54 -2.006 6.722 -4.842 357 HG11 VAL 54 1HG1 VAL 54 -1.615 7.094 -2.546 358 HG12 VAL 54 2HG1 VAL 54 -1.189 5.406 -2.266 359 HG13 VAL 54 3HG1 VAL 54 -2.858 5.847 -2.623 360 HG21 VAL 54 3HG2 VAL 54 0.227 6.901 -4.957 361 HG22 VAL 54 1HG2 VAL 54 0.192 5.182 -5.343 362 HG23 VAL 54 2HG2 VAL 54 0.488 5.707 -3.687 363 H PHE 55 H PHE 55 -3.666 3.539 -3.058 364 HA PHE 55 HA PHE 55 -6.145 4.686 -4.163 365 HB2 PHE 55 2HB PHE 55 -5.632 2.056 -4.186 366 HB3 PHE 55 1HB PHE 55 -6.292 2.185 -2.561 367 HD1 PHE 55 1HD PHE 55 -7.010 2.451 -6.132 368 HD2 PHE 55 2HD PHE 55 -8.617 2.757 -2.202 369 HE1 PHE 55 1HE PHE 55 -9.286 2.388 -7.062 370 HE2 PHE 55 2HE PHE 55 -10.896 2.693 -3.126 371 HZ PHE 55 HZ PHE 55 -11.233 2.507 -5.558 372 H ASP 56 H ASP 56 -6.396 6.418 -2.838 373 HA ASP 56 HA ASP 56 -6.019 6.187 0.021 374 HB2 ASP 56 2HB ASP 56 -5.734 8.274 -1.693 375 HB3 ASP 56 1HB ASP 56 -7.346 8.596 -1.064 376 H ILE 57 H ILE 57 -7.568 5.871 1.515 377 HA ILE 57 HA ILE 57 -10.366 5.900 0.588 378 HB ILE 57 HB ILE 57 -10.808 4.131 2.323 379 HG12 ILE 57 2HG1 ILE 57 -8.056 3.140 2.242 380 HG13 ILE 57 1HG1 ILE 57 -8.207 4.658 3.122 381 HG21 ILE 57 1HG2 ILE 57 -9.344 3.810 -0.217 382 HG22 ILE 57 2HG2 ILE 57 -10.914 3.180 0.280 383 HG23 ILE 57 3HG2 ILE 57 -9.435 2.382 0.815 384 HD11 ILE 57 3HD1 ILE 57 -8.908 3.531 4.884 385 HD12 ILE 57 1HD1 ILE 57 -8.847 2.023 3.971 386 HD13 ILE 57 2HD1 ILE 57 -10.317 2.994 3.972 387 H GLY 58 H GLY 58 -10.810 7.965 1.305 388 HA2 GLY 58 2HA GLY 58 -10.787 8.310 4.241 389 HA3 GLY 58 1HA GLY 58 -10.439 9.626 3.135 390 H SER 59 H SER 59 -12.897 7.549 1.993 391 HA SER 59 HA SER 59 -15.015 9.196 3.176 392 HB2 SER 59 2HB SER 59 -14.281 9.978 0.821 393 HB3 SER 59 1HB SER 59 -15.067 8.510 0.239 394 HG SER 59 HG SER 59 -16.711 9.880 0.217 395 H LEU 60 H LEU 60 -14.681 6.873 4.270 396 HA LEU 60 HA LEU 60 -16.542 5.008 2.950 397 HB2 LEU 60 2HB LEU 60 -14.892 4.050 5.220 398 HB3 LEU 60 1HB LEU 60 -15.419 3.206 3.785 399 HG LEU 60 HG LEU 60 -13.080 3.302 3.632 400 HD11 LEU 60 1HD1 LEU 60 -13.505 5.680 1.952 401 HD12 LEU 60 2HD1 LEU 60 -14.594 4.324 1.666 402 HD13 LEU 60 3HD1 LEU 60 -12.850 4.095 1.542 403 HD21 LEU 60 3HD2 LEU 60 -11.743 4.912 4.441 404 HD22 LEU 60 1HD2 LEU 60 -13.191 5.434 5.298 405 HD23 LEU 60 2HD2 LEU 60 -12.735 6.214 3.785 406 HA PRO 61 HA PRO 61 -19.284 5.864 6.326 407 HB2 PRO 61 2HB PRO 61 -21.182 4.048 5.831 408 HB3 PRO 61 1HB PRO 61 -20.896 5.412 4.743 409 HG2 PRO 61 2HG PRO 61 -20.023 2.561 4.480 410 HG3 PRO 61 1HG PRO 61 -20.662 3.657 3.241 411 HD2 PRO 61 2HD PRO 61 -17.985 3.116 3.609 412 HD3 PRO 61 1HD PRO 61 -18.616 4.585 2.840 413 H ARG 62 H ARG 62 -17.052 4.356 7.222 414 HA ARG 62 HA ARG 62 -16.397 3.120 9.003 415 HB2 ARG 62 2HB ARG 62 -18.358 4.293 10.100 416 HB3 ARG 62 1HB ARG 62 -19.298 2.840 9.783 417 HG2 ARG 62 2HG ARG 62 -17.827 1.526 11.167 418 HG3 ARG 62 1HG ARG 62 -16.754 2.907 11.397 419 HD2 ARG 62 2HD ARG 62 -18.135 3.905 12.901 420 HD3 ARG 62 1HD ARG 62 -19.596 3.284 12.135 421 HE ARG 62 HE ARG 62 -18.098 2.064 14.261 422 HH11 ARG 62 1HH1 ARG 62 -20.298 1.447 11.605 423 HH12 ARG 62 2HH1 ARG 62 -20.909 -0.020 12.289 424 HH21 ARG 62 1HH2 ARG 62 -18.909 0.127 15.156 425 HH22 ARG 62 2HH2 ARG 62 -20.120 -0.770 14.305 426 H ASN 63 H ASN 63 -19.467 1.665 7.838 427 HA ASN 63 HA ASN 63 -18.854 -0.979 8.390 428 HB2 ASN 63 2HB ASN 63 -20.773 0.414 6.671 429 HB3 ASN 63 1HB ASN 63 -20.305 -1.163 6.043 430 HD21 ASN 63 1HD2 ASN 63 -22.768 0.039 7.440 431 HD22 ASN 63 2HD2 ASN 63 -23.154 -1.141 8.640 432 H GLU 64 H GLU 64 -17.835 1.027 5.684 433 HA GLU 64 HA GLU 64 -16.790 -1.108 4.110 434 HB2 GLU 64 2HB GLU 64 -16.386 1.869 4.113 435 HB3 GLU 64 1HB GLU 64 -15.443 0.830 3.057 436 HG2 GLU 64 2HG GLU 64 -18.424 1.205 3.070 437 HG3 GLU 64 1HG GLU 64 -17.282 1.681 1.816 438 H GLN 65 H GLN 65 -15.398 1.050 6.552 439 HA GLN 65 HA GLN 65 -12.707 0.372 6.233 440 HB2 GLN 65 2HB GLN 65 -14.285 1.817 8.141 441 HB3 GLN 65 1HB GLN 65 -13.169 0.767 9.004 442 HG2 GLN 65 2HG GLN 65 -12.088 2.369 6.759 443 HG3 GLN 65 1HG GLN 65 -12.522 3.216 8.241 444 HE21 GLN 65 1HE2 GLN 65 -9.911 3.027 7.216 445 HE22 GLN 65 2HE2 GLN 65 -8.957 2.125 8.338 446 H GLU 66 H GLU 66 -15.123 -1.052 8.441 447 HA GLU 66 HA GLU 66 -13.474 -2.989 9.589 448 HB2 GLU 66 2HB GLU 66 -16.095 -2.257 9.879 449 HB3 GLU 66 1HB GLU 66 -16.255 -3.837 9.124 450 HG2 GLU 66 2HG GLU 66 -16.112 -4.638 11.195 451 HG3 GLU 66 1HG GLU 66 -14.384 -4.322 11.049 452 H LYS 67 H LYS 67 -15.415 -3.092 6.626 453 HA LYS 67 HA LYS 67 -14.944 -5.815 6.024 454 HB2 LYS 67 2HB LYS 67 -16.316 -3.616 4.828 455 HB3 LYS 67 1HB LYS 67 -15.272 -4.334 3.609 456 HG2 LYS 67 2HG LYS 67 -16.354 -6.392 3.716 457 HG3 LYS 67 1HG LYS 67 -17.077 -6.036 5.286 458 HD2 LYS 67 2HD LYS 67 -18.696 -4.644 4.369 459 HD3 LYS 67 1HD LYS 67 -17.767 -4.370 2.895 460 HE2 LYS 67 2HE LYS 67 -19.704 -5.810 2.483 461 HE3 LYS 67 1HE LYS 67 -18.187 -6.656 2.178 462 HZ1 LYS 67 3HZ LYS 67 -19.917 -7.936 3.440 463 HZ2 LYS 67 1HZ LYS 67 -19.666 -6.881 4.741 464 HZ3 LYS 67 2HZ LYS 67 -18.400 -7.856 4.186 465 H TRP 68 H TRP 68 -13.208 -2.838 5.211 466 HA TRP 68 HA TRP 68 -11.414 -3.939 3.348 467 HB2 TRP 68 2HB TRP 68 -11.422 -1.493 5.065 468 HB3 TRP 68 1HB TRP 68 -9.922 -1.956 4.268 469 HD1 TRP 68 HD TRP 68 -12.476 0.391 3.700 470 HE1 TRP 68 1HE TRP 68 -12.915 0.845 1.206 471 HE3 TRP 68 3HE TRP 68 -10.161 -3.709 1.707 472 HZ2 TRP 68 2HZ TRP 68 -12.353 -0.372 -1.278 473 HZ3 TRP 68 3HZ TRP 68 -10.156 -3.989 -0.736 474 HH2 TRP 68 HH TRP 68 -11.230 -2.352 -2.197 475 H ARG 69 H ARG 69 -11.153 -3.546 6.873 476 HA ARG 69 HA ARG 69 -8.524 -4.460 7.170 477 HB2 ARG 69 2HB ARG 69 -9.797 -3.350 8.962 478 HB3 ARG 69 1HB ARG 69 -10.839 -4.759 9.097 479 HG2 ARG 69 2HG ARG 69 -8.595 -6.018 9.548 480 HG3 ARG 69 1HG ARG 69 -8.006 -4.404 9.955 481 HD2 ARG 69 2HD ARG 69 -8.769 -5.370 11.979 482 HD3 ARG 69 1HD ARG 69 -9.990 -4.194 11.493 483 HE ARG 69 HE ARG 69 -10.533 -6.863 10.577 484 HH11 ARG 69 1HH1 ARG 69 -10.902 -4.635 13.254 485 HH12 ARG 69 2HH1 ARG 69 -12.290 -5.447 13.897 486 HH21 ARG 69 1HH2 ARG 69 -12.362 -7.927 11.432 487 HH22 ARG 69 2HH2 ARG 69 -13.116 -7.314 12.864 488 H ILE 70 H ILE 70 -11.585 -6.253 7.080 489 HA ILE 70 HA ILE 70 -10.383 -8.792 7.614 490 HB ILE 70 HB ILE 70 -13.064 -8.293 6.314 491 HG12 ILE 70 2HG1 ILE 70 -12.638 -8.758 9.259 492 HG13 ILE 70 1HG1 ILE 70 -12.585 -7.132 8.587 493 HG21 ILE 70 1HG2 ILE 70 -13.531 -10.484 6.609 494 HG22 ILE 70 2HG2 ILE 70 -12.609 -10.593 8.108 495 HG23 ILE 70 3HG2 ILE 70 -11.776 -10.643 6.554 496 HD11 ILE 70 3HD1 ILE 70 -14.903 -7.966 7.543 497 HD12 ILE 70 1HD1 ILE 70 -14.769 -7.175 9.114 498 HD13 ILE 70 2HD1 ILE 70 -14.872 -8.933 9.016 499 H ALA 71 H ALA 71 -11.478 -7.136 4.665 500 HA ALA 71 HA ALA 71 -10.984 -9.231 2.859 501 HB1 ALA 71 1HB ALA 71 -11.266 -6.274 2.586 502 HB2 ALA 71 2HB ALA 71 -12.269 -7.569 1.930 503 HB3 ALA 71 3HB ALA 71 -10.697 -7.220 1.211 504 H PHE 72 H PHE 72 -8.925 -6.432 3.711 505 HA PHE 72 HA PHE 72 -6.731 -7.162 2.121 506 HB2 PHE 72 2HB PHE 72 -7.230 -5.260 4.306 507 HB3 PHE 72 1HB PHE 72 -5.566 -5.825 4.211 508 HD1 PHE 72 1HD PHE 72 -8.279 -4.395 2.097 509 HD2 PHE 72 2HD PHE 72 -4.091 -4.821 2.736 510 HE1 PHE 72 1HE PHE 72 -7.842 -2.806 0.272 511 HE2 PHE 72 2HE PHE 72 -3.648 -3.229 0.912 512 HZ PHE 72 HZ PHE 72 -5.525 -2.219 -0.321 513 H GLN 73 H GLN 73 -7.668 -8.136 5.372 514 HA GLN 73 HA GLN 73 -5.241 -9.353 6.126 515 HB2 GLN 73 2HB GLN 73 -7.117 -8.799 7.673 516 HB3 GLN 73 1HB GLN 73 -8.030 -10.133 6.985 517 HG2 GLN 73 2HG GLN 73 -6.704 -11.732 7.969 518 HG3 GLN 73 1HG GLN 73 -5.320 -10.650 8.113 519 HE21 GLN 73 1HE2 GLN 73 -8.713 -10.421 9.155 520 HE22 GLN 73 2HE2 GLN 73 -8.356 -10.112 10.814 521 H LYS 74 H LYS 74 -7.898 -10.447 4.121 522 HA LYS 74 HA LYS 74 -7.056 -13.204 4.104 523 HB2 LYS 74 2HB LYS 74 -9.401 -11.878 3.513 524 HB3 LYS 74 1HB LYS 74 -8.806 -12.339 1.928 525 HG2 LYS 74 2HG LYS 74 -9.092 -14.563 2.308 526 HG3 LYS 74 1HG LYS 74 -8.806 -14.417 4.043 527 HD2 LYS 74 2HD LYS 74 -11.034 -13.237 4.191 528 HD3 LYS 74 1HD LYS 74 -11.309 -13.715 2.515 529 HE2 LYS 74 2HE LYS 74 -12.381 -15.349 3.841 530 HE3 LYS 74 1HE LYS 74 -10.894 -16.095 3.260 531 HZ1 LYS 74 3HZ LYS 74 -11.307 -14.914 5.957 532 HZ2 LYS 74 1HZ LYS 74 -9.866 -15.606 5.403 533 HZ3 LYS 74 2HZ LYS 74 -11.246 -16.565 5.596 534 H VAL 75 H VAL 75 -6.514 -10.346 2.154 535 HA VAL 75 HA VAL 75 -5.384 -11.810 -0.060 536 HB VAL 75 HB VAL 75 -5.255 -8.833 0.449 537 HG11 VAL 75 1HG1 VAL 75 -4.698 -10.569 -1.935 538 HG12 VAL 75 2HG1 VAL 75 -3.684 -9.321 -1.210 539 HG13 VAL 75 3HG1 VAL 75 -5.127 -8.868 -2.118 540 HG21 VAL 75 3HG2 VAL 75 -7.566 -10.238 0.156 541 HG22 VAL 75 1HG2 VAL 75 -7.182 -9.849 -1.521 542 HG23 VAL 75 2HG2 VAL 75 -7.346 -8.557 -0.331 543 H VAL 76 H VAL 76 -4.148 -9.749 2.568 544 HA VAL 76 HA VAL 76 -1.477 -10.850 2.017 545 HB VAL 76 HB VAL 76 -0.575 -8.694 3.048 546 HG11 VAL 76 1HG1 VAL 76 -0.179 -7.898 0.964 547 HG12 VAL 76 2HG1 VAL 76 -1.872 -8.004 0.478 548 HG13 VAL 76 3HG1 VAL 76 -0.871 -9.455 0.511 549 HG21 VAL 76 3HG2 VAL 76 -2.662 -7.839 3.966 550 HG22 VAL 76 1HG2 VAL 76 -3.350 -7.736 2.346 551 HG23 VAL 76 2HG2 VAL 76 -1.991 -6.707 2.795 552 H GLY 77 H GLY 77 -3.640 -9.587 4.535 553 HA2 GLY 77 2HA GLY 77 -3.913 -10.726 6.619 554 HA3 GLY 77 1HA GLY 77 -2.286 -11.359 6.451 555 H SER 78 H SER 78 -3.370 -7.998 6.086 556 HA SER 78 HA SER 78 -1.654 -7.299 8.376 557 HB2 SER 78 2HB SER 78 -0.937 -6.524 6.033 558 HB3 SER 78 1HB SER 78 -2.314 -5.427 6.103 559 HG SER 78 HG SER 78 -1.337 -4.258 7.606 560 H ARG 79 H ARG 79 -2.789 -6.706 10.083 561 HA ARG 79 HA ARG 79 -5.468 -5.581 9.740 562 HB2 ARG 79 2HB ARG 79 -4.641 -7.520 11.408 563 HB3 ARG 79 1HB ARG 79 -4.368 -6.131 12.450 564 HG2 ARG 79 2HG ARG 79 -6.557 -5.811 12.805 565 HG3 ARG 79 1HG ARG 79 -6.982 -6.152 11.128 566 HD2 ARG 79 2HD ARG 79 -7.903 -7.782 12.777 567 HD3 ARG 79 1HD ARG 79 -6.914 -8.505 11.511 568 HE ARG 79 HE ARG 79 -5.247 -8.001 13.683 569 HH11 ARG 79 1HH1 ARG 79 -8.028 -10.004 12.963 570 HH12 ARG 79 2HH1 ARG 79 -7.566 -11.255 14.064 571 HH21 ARG 79 1HH2 ARG 79 -4.644 -9.665 15.133 572 HH22 ARG 79 2HH2 ARG 79 -5.652 -11.064 15.294 573 H ASN 80 H ASN 80 -3.312 -3.910 9.026 574 HA ASN 80 HA ASN 80 -3.809 -1.662 10.779 575 HB2 ASN 80 2HB ASN 80 -1.776 -2.951 11.687 576 HB3 ASN 80 1HB ASN 80 -0.932 -2.390 10.246 577 HD21 ASN 80 1HD2 ASN 80 -3.071 -1.030 12.746 578 HD22 ASN 80 2HD2 ASN 80 -2.123 0.389 13.017 579 H LEU 81 H LEU 81 -3.010 0.383 9.874 580 HA LEU 81 HA LEU 81 -2.490 0.247 6.975 581 HB2 LEU 81 2HB LEU 81 -4.349 2.137 8.425 582 HB3 LEU 81 1HB LEU 81 -3.879 2.309 6.744 583 HG LEU 81 HG LEU 81 -5.291 -0.137 7.797 584 HD11 LEU 81 1HD1 LEU 81 -6.998 1.304 8.145 585 HD12 LEU 81 2HD1 LEU 81 -7.201 1.107 6.404 586 HD13 LEU 81 3HD1 LEU 81 -6.350 2.515 7.039 587 HD21 LEU 81 3HD2 LEU 81 -5.364 -0.870 5.663 588 HD22 LEU 81 1HD2 LEU 81 -3.936 0.150 5.492 589 HD23 LEU 81 2HD2 LEU 81 -5.517 0.754 4.994 590 HA PRO 82 HA PRO 82 -2.342 1.987 5.401 591 HB2 PRO 82 2HB PRO 82 -0.260 2.606 3.814 592 HB3 PRO 82 1HB PRO 82 -1.259 3.848 4.576 593 HG2 PRO 82 2HG PRO 82 1.422 2.805 5.400 594 HG3 PRO 82 1HG PRO 82 0.837 4.478 5.358 595 HD2 PRO 82 2HD PRO 82 0.946 2.972 7.636 596 HD3 PRO 82 1HD PRO 82 -0.213 4.291 7.388 597 H THR 83 H THR 83 -1.648 0.650 3.448 598 HA THR 83 HA THR 83 0.086 -1.592 4.251 599 HB THR 83 HB THR 83 -2.416 -1.988 2.622 600 HG1 THR 83 1HG THR 83 -3.570 -1.801 4.341 601 HG21 THR 83 3HG2 THR 83 -0.740 -3.803 2.659 602 HG22 THR 83 1HG2 THR 83 -2.297 -4.261 3.346 603 HG23 THR 83 2HG2 THR 83 -0.938 -3.897 4.410 604 H ILE 84 H ILE 84 1.703 -1.898 2.848 605 HA ILE 84 HA ILE 84 1.389 -0.881 0.103 606 HB ILE 84 HB ILE 84 3.960 -1.569 1.529 607 HG12 ILE 84 2HG1 ILE 84 3.642 1.240 1.011 608 HG13 ILE 84 1HG1 ILE 84 2.260 0.663 1.936 609 HG21 ILE 84 1HG2 ILE 84 3.795 -1.572 -1.041 610 HG22 ILE 84 2HG2 ILE 84 5.107 -0.675 -0.282 611 HG23 ILE 84 3HG2 ILE 84 3.691 0.180 -0.886 612 HD11 ILE 84 3HD1 ILE 84 3.610 -0.029 3.720 613 HD12 ILE 84 1HD1 ILE 84 4.246 1.544 3.239 614 HD13 ILE 84 2HD1 ILE 84 5.082 0.069 2.753 615 H VAL 85 H VAL 85 0.820 -2.422 -1.294 616 HA VAL 85 HA VAL 85 1.978 -5.114 -0.984 617 HB VAL 85 HB VAL 85 0.063 -5.858 -2.473 618 HG11 VAL 85 1HG1 VAL 85 -1.141 -6.436 -0.645 619 HG12 VAL 85 2HG1 VAL 85 -1.149 -4.797 0.010 620 HG13 VAL 85 3HG1 VAL 85 0.284 -5.810 0.183 621 HG21 VAL 85 3HG2 VAL 85 -1.063 -3.167 -1.703 622 HG22 VAL 85 1HG2 VAL 85 -1.930 -4.457 -2.534 623 HG23 VAL 85 2HG2 VAL 85 -0.576 -3.654 -3.327 624 H VAL 86 H VAL 86 3.495 -5.636 -2.393 625 HA VAL 86 HA VAL 86 3.482 -4.344 -5.048 626 HB VAL 86 HB VAL 86 5.901 -5.392 -3.572 627 HG11 VAL 86 1HG1 VAL 86 5.445 -4.230 -6.250 628 HG12 VAL 86 2HG1 VAL 86 6.651 -5.394 -5.705 629 HG13 VAL 86 3HG1 VAL 86 6.878 -3.677 -5.382 630 HG21 VAL 86 3HG2 VAL 86 5.548 -3.560 -2.290 631 HG22 VAL 86 1HG2 VAL 86 4.552 -2.763 -3.507 632 HG23 VAL 86 2HG2 VAL 86 6.311 -2.741 -3.652 633 H ASN 87 H ASN 87 3.121 -5.668 -6.701 634 HA ASN 87 HA ASN 87 2.989 -7.520 -8.010 635 HB2 ASN 87 2HB ASN 87 5.512 -7.616 -6.938 636 HB3 ASN 87 1HB ASN 87 4.866 -9.186 -6.474 637 HD21 ASN 87 1HD2 ASN 87 4.676 -7.087 -9.342 638 HD22 ASN 87 2HD2 ASN 87 5.087 -8.323 -10.476 639 H GLY 88 H GLY 88 1.149 -7.253 -5.883 640 HA2 GLY 88 2HA GLY 88 -0.515 -8.456 -4.855 641 HA3 GLY 88 1HA GLY 88 -0.016 -9.809 -5.854 642 H LYS 89 H LYS 89 1.636 -8.038 -3.255 643 HA LYS 89 HA LYS 89 1.360 -10.028 -1.302 644 HB2 LYS 89 2HB LYS 89 3.834 -10.720 -1.298 645 HB3 LYS 89 1HB LYS 89 2.780 -11.473 -2.488 646 HG2 LYS 89 2HG LYS 89 3.597 -9.648 -4.087 647 HG3 LYS 89 1HG LYS 89 4.870 -9.365 -2.900 648 HD2 LYS 89 2HD LYS 89 5.158 -11.978 -3.091 649 HD3 LYS 89 1HD LYS 89 4.387 -11.722 -4.657 650 HE2 LYS 89 2HE LYS 89 6.126 -9.898 -5.030 651 HE3 LYS 89 1HE LYS 89 6.966 -10.570 -3.633 652 HZ1 LYS 89 3HZ LYS 89 6.197 -12.440 -5.739 653 HZ2 LYS 89 1HZ LYS 89 7.586 -12.406 -4.772 654 HZ3 LYS 89 2HZ LYS 89 7.451 -11.363 -6.095 655 H PHE 90 H PHE 90 1.936 -9.255 0.635 656 HA PHE 90 HA PHE 90 2.444 -6.557 1.039 657 HB2 PHE 90 2HB PHE 90 1.595 -8.440 2.664 658 HB3 PHE 90 1HB PHE 90 3.297 -8.570 3.091 659 HD1 PHE 90 2HD PHE 90 1.311 -5.525 2.276 660 HD2 PHE 90 1HD PHE 90 3.411 -7.738 5.245 661 HE1 PHE 90 2HE PHE 90 1.056 -3.653 3.851 662 HE2 PHE 90 1HE PHE 90 3.154 -5.871 6.824 663 HZ PHE 90 HZ PHE 90 1.976 -3.825 6.127 664 H TRP 91 H TRP 91 4.177 -5.538 0.271 665 HA TRP 91 HA TRP 91 6.829 -6.721 0.760 666 HB2 TRP 91 2HB TRP 91 5.656 -5.570 -1.597 667 HB3 TRP 91 1HB TRP 91 7.062 -4.625 -1.123 668 HD1 TRP 91 HD TRP 91 6.175 -7.563 -3.111 669 HE1 TRP 91 1HE TRP 91 8.254 -8.985 -3.644 670 HE3 TRP 91 3HE TRP 91 9.456 -5.504 0.229 671 HZ2 TRP 91 2HZ TRP 91 10.925 -9.208 -2.769 672 HZ3 TRP 91 3HZ TRP 91 11.753 -6.381 0.316 673 HH2 TRP 91 HH TRP 91 12.471 -8.195 -1.151 674 H GLY 92 H GLY 92 4.797 -3.942 1.350 675 HA2 GLY 92 2HA GLY 92 7.061 -2.712 2.797 676 HA3 GLY 92 1HA GLY 92 5.978 -1.741 1.816 677 H THR 93 H THR 93 6.631 -1.611 4.691 678 HA THR 93 HA THR 93 3.897 -1.871 5.759 679 HB THR 93 HB THR 93 5.314 -1.962 8.028 680 HG1 THR 93 1HG THR 93 6.955 -3.453 6.278 681 HG21 THR 93 3HG2 THR 93 4.894 -4.403 6.328 682 HG22 THR 93 1HG2 THR 93 3.668 -3.639 7.341 683 HG23 THR 93 2HG2 THR 93 5.102 -4.353 8.080 684 H GLU 94 H GLU 94 3.732 -0.465 7.875 685 HA GLU 94 HA GLU 94 4.124 2.244 7.078 686 HB2 GLU 94 2HB GLU 94 2.192 1.478 8.436 687 HB3 GLU 94 1HB GLU 94 3.284 1.176 9.780 688 HG2 GLU 94 2HG GLU 94 3.921 3.669 9.503 689 HG3 GLU 94 1HG GLU 94 2.411 3.781 8.605 690 H SER 95 H SER 95 5.926 0.023 9.087 691 HA SER 95 HA SER 95 7.592 2.178 10.143 692 HB2 SER 95 2HB SER 95 7.563 -0.793 10.723 693 HB3 SER 95 1HB SER 95 8.689 0.349 11.455 694 HG SER 95 HG SER 95 6.138 -0.190 12.130 695 H GLN 96 H GLN 96 7.699 -0.409 7.785 696 HA GLN 96 HA GLN 96 10.455 -0.649 7.434 697 HB2 GLN 96 2HB GLN 96 8.816 -2.162 6.407 698 HB3 GLN 96 1HB GLN 96 8.295 -0.872 5.336 699 HG2 GLN 96 2HG GLN 96 10.035 -1.141 3.950 700 HG3 GLN 96 1HG GLN 96 11.171 -1.438 5.264 701 HE21 GLN 96 1HE2 GLN 96 10.646 -2.816 2.654 702 HE22 GLN 96 2HE2 GLN 96 10.426 -4.477 3.074 703 H LEU 97 H LEU 97 8.209 1.776 6.184 704 HA LEU 97 HA LEU 97 9.843 2.916 4.227 705 HB2 LEU 97 2HB LEU 97 8.518 4.983 4.552 706 HB3 LEU 97 1HB LEU 97 7.544 3.545 4.340 707 HG LEU 97 HG LEU 97 7.671 3.668 7.055 708 HD11 LEU 97 1HD1 LEU 97 7.056 6.141 7.467 709 HD12 LEU 97 2HD1 LEU 97 7.957 6.444 5.985 710 HD13 LEU 97 3HD1 LEU 97 8.757 5.693 7.363 711 HD21 LEU 97 3HD2 LEU 97 5.703 4.900 5.140 712 HD22 LEU 97 1HD2 LEU 97 5.404 4.749 6.871 713 HD23 LEU 97 2HD2 LEU 97 5.640 3.304 5.887 714 H HIS 98 H HIS 98 9.688 3.570 7.707 715 HA HIS 98 HA HIS 98 11.666 5.652 7.577 716 HB2 HIS 98 2HB HIS 98 9.817 4.687 9.517 717 HB3 HIS 98 1HB HIS 98 11.425 4.615 10.230 718 HD1 HIS 98 1HD HIS 98 8.695 6.912 9.549 719 HD2 HIS 98 2HD HIS 98 12.801 7.214 10.123 720 HE1 HIS 98 1HE HIS 98 9.123 9.331 10.095 721 HE2 HIS 98 2HE HIS 98 11.606 9.479 10.493 722 H ARG 99 H ARG 99 11.641 2.202 8.294 723 HA ARG 99 HA ARG 99 14.299 2.084 9.294 724 HB2 ARG 99 2HB ARG 99 12.277 0.084 8.396 725 HB3 ARG 99 1HB ARG 99 13.950 -0.431 8.544 726 HG2 ARG 99 2HG ARG 99 13.866 0.524 10.904 727 HG3 ARG 99 1HG ARG 99 12.116 0.588 10.686 728 HD2 ARG 99 2HD ARG 99 12.076 -1.522 11.402 729 HD3 ARG 99 1HD ARG 99 12.784 -1.960 9.849 730 HE ARG 99 HE ARG 99 14.792 -1.195 11.708 731 HH11 ARG 99 1HH1 ARG 99 12.647 -3.841 10.895 732 HH12 ARG 99 2HH1 ARG 99 13.677 -5.049 11.583 733 HH21 ARG 99 1HH2 ARG 99 16.147 -2.798 12.614 734 HH22 ARG 99 2HH2 ARG 99 15.661 -4.459 12.558 735 H PHE 100 H PHE 100 12.897 1.211 6.147 736 HA PHE 100 HA PHE 100 15.284 0.464 4.893 737 HB2 PHE 100 2HB PHE 100 12.550 1.124 4.026 738 HB3 PHE 100 1HB PHE 100 13.788 1.418 2.811 739 HD1 PHE 100 1HD PHE 100 13.588 -1.254 5.398 740 HD2 PHE 100 2HD PHE 100 13.535 -0.274 1.256 741 HE1 PHE 100 1HE PHE 100 13.623 -3.648 4.834 742 HE2 PHE 100 2HE PHE 100 13.570 -2.666 0.687 743 HZ PHE 100 HZ PHE 100 13.615 -4.356 2.477 744 H GLU 101 H GLU 101 13.763 3.637 5.225 745 HA GLU 101 HA GLU 101 15.428 5.033 3.428 746 HB2 GLU 101 2HB GLU 101 13.237 5.786 4.624 747 HB3 GLU 101 1HB GLU 101 14.318 6.313 5.905 748 HG2 GLU 101 2HG GLU 101 15.490 7.371 3.665 749 HG3 GLU 101 1HG GLU 101 13.772 7.500 3.299 750 H ALA 102 H ALA 102 15.615 4.639 6.946 751 HA ALA 102 HA ALA 102 18.065 6.027 7.266 752 HB1 ALA 102 1HB ALA 102 16.287 5.426 9.037 753 HB2 ALA 102 2HB ALA 102 17.987 5.396 9.505 754 HB3 ALA 102 3HB ALA 102 17.142 3.888 9.153 755 H LYS 103 H LYS 103 17.280 2.633 6.669 756 HA LYS 103 HA LYS 103 19.911 1.644 7.115 757 HB2 LYS 103 2HB LYS 103 17.450 0.531 5.801 758 HB3 LYS 103 1HB LYS 103 18.972 -0.341 5.764 759 HG2 LYS 103 2HG LYS 103 18.916 0.021 8.348 760 HG3 LYS 103 1HG LYS 103 17.190 0.257 8.072 761 HD2 LYS 103 2HD LYS 103 18.480 -2.104 6.813 762 HD3 LYS 103 1HD LYS 103 18.228 -2.140 8.560 763 HE2 LYS 103 2HE LYS 103 15.872 -1.791 8.291 764 HE3 LYS 103 1HE LYS 103 16.063 -1.516 6.559 765 HZ1 LYS 103 3HZ LYS 103 16.247 -3.713 6.135 766 HZ2 LYS 103 1HZ LYS 103 15.349 -3.849 7.564 767 HZ3 LYS 103 2HZ LYS 103 17.027 -4.067 7.593 768 H GLY 104 H GLY 104 18.307 3.105 4.387 769 HA2 GLY 104 2HA GLY 104 19.365 3.962 2.482 770 HA3 GLY 104 1HA GLY 104 20.800 3.034 2.887 771 H THR 105 H THR 105 17.737 1.413 2.882 772 HA THR 105 HA THR 105 18.553 -0.051 0.472 773 HB THR 105 HB THR 105 16.765 -1.707 1.355 774 HG1 THR 105 1HG THR 105 16.007 -0.118 2.945 775 HG21 THR 105 3HG2 THR 105 19.513 -1.352 2.068 776 HG22 THR 105 1HG2 THR 105 18.593 -2.842 1.849 777 HG23 THR 105 2HG2 THR 105 18.616 -2.041 3.419 778 H LEU 106 H LEU 106 16.237 2.224 1.546 779 HA LEU 106 HA LEU 106 13.942 1.556 0.143 780 HB2 LEU 106 2HB LEU 106 14.565 3.596 1.716 781 HB3 LEU 106 1HB LEU 106 14.810 4.408 0.181 782 HG LEU 106 HG LEU 106 12.247 2.948 0.532 783 HD11 LEU 106 1HD1 LEU 106 12.342 5.697 1.635 784 HD12 LEU 106 2HD1 LEU 106 12.938 4.388 2.655 785 HD13 LEU 106 3HD1 LEU 106 11.286 4.344 2.042 786 HD21 LEU 106 3HD2 LEU 106 12.913 5.657 -0.617 787 HD22 LEU 106 1HD2 LEU 106 11.389 4.784 -0.776 788 HD23 LEU 106 2HD2 LEU 106 12.847 4.157 -1.543 789 H GLU 107 H GLU 107 16.747 3.435 -1.009 790 HA GLU 107 HA GLU 107 15.731 3.834 -3.631 791 HB2 GLU 107 2HB GLU 107 18.330 4.239 -2.257 792 HB3 GLU 107 1HB GLU 107 18.377 4.110 -4.010 793 HG2 GLU 107 2HG GLU 107 17.448 6.122 -4.312 794 HG3 GLU 107 1HG GLU 107 16.298 5.902 -2.995 795 H GLU 108 H GLU 108 18.018 1.480 -2.273 796 HA GLU 108 HA GLU 108 18.688 0.175 -4.660 797 HB2 GLU 108 2HB GLU 108 19.633 -0.032 -2.207 798 HB3 GLU 108 1HB GLU 108 18.478 -1.354 -2.096 799 HG2 GLU 108 2HG GLU 108 19.555 -2.584 -3.775 800 HG3 GLU 108 1HG GLU 108 20.482 -1.189 -4.321 801 H GLU 109 H GLU 109 16.097 -0.443 -2.324 802 HA GLU 109 HA GLU 109 15.065 -2.750 -3.606 803 HB2 GLU 109 2HB GLU 109 14.644 -2.145 -1.233 804 HB3 GLU 109 1HB GLU 109 13.638 -0.810 -1.779 805 HG2 GLU 109 2HG GLU 109 12.668 -3.116 -3.060 806 HG3 GLU 109 1HG GLU 109 12.949 -3.552 -1.377 807 H LEU 110 H LEU 110 14.305 0.699 -3.836 808 HA LEU 110 HA LEU 110 11.999 0.533 -5.409 809 HB2 LEU 110 2HB LEU 110 13.752 2.575 -4.485 810 HB3 LEU 110 1HB LEU 110 13.520 2.813 -6.207 811 HG LEU 110 HG LEU 110 11.067 2.823 -5.848 812 HD11 LEU 110 1HD1 LEU 110 10.081 2.759 -3.739 813 HD12 LEU 110 2HD1 LEU 110 11.613 3.032 -2.908 814 HD13 LEU 110 3HD1 LEU 110 11.290 1.477 -3.675 815 HD21 LEU 110 3HD2 LEU 110 11.854 4.971 -5.997 816 HD22 LEU 110 1HD2 LEU 110 12.890 4.809 -4.579 817 HD23 LEU 110 2HD2 LEU 110 11.148 5.001 -4.380 818 H THR 111 H THR 111 15.417 0.591 -6.345 819 HA THR 111 HA THR 111 14.856 0.615 -9.157 820 HB THR 111 HB THR 111 17.435 -0.116 -7.751 821 HG1 THR 111 1HG THR 111 17.046 1.934 -7.146 822 HG21 THR 111 3HG2 THR 111 17.992 -0.667 -9.867 823 HG22 THR 111 1HG2 THR 111 18.225 1.075 -9.999 824 HG23 THR 111 2HG2 THR 111 16.732 0.339 -10.580 825 H LYS 112 H LYS 112 15.482 -1.865 -6.734 826 HA LYS 112 HA LYS 112 15.989 -4.034 -8.435 827 HB2 LYS 112 2HB LYS 112 16.127 -3.825 -5.831 828 HB3 LYS 112 1HB LYS 112 14.460 -4.381 -5.877 829 HG2 LYS 112 2HG LYS 112 15.266 -6.353 -7.213 830 HG3 LYS 112 1HG LYS 112 16.911 -5.822 -6.854 831 HD2 LYS 112 2HD LYS 112 16.682 -6.242 -4.573 832 HD3 LYS 112 1HD LYS 112 14.919 -6.226 -4.652 833 HE2 LYS 112 2HE LYS 112 15.951 -8.492 -4.339 834 HE3 LYS 112 1HE LYS 112 14.860 -8.349 -5.715 835 HZ1 LYS 112 3HZ LYS 112 17.224 -9.474 -5.916 836 HZ2 LYS 112 1HZ LYS 112 17.706 -7.876 -6.202 837 HZ3 LYS 112 2HZ LYS 112 16.544 -8.601 -7.196 838 H ILE 113 H ILE 113 12.908 -2.882 -7.052 839 HA ILE 113 HA ILE 113 11.290 -4.861 -8.256 840 HB ILE 113 HB ILE 113 9.383 -3.333 -7.814 841 HG12 ILE 113 2HG1 ILE 113 11.224 -1.467 -6.375 842 HG13 ILE 113 1HG1 ILE 113 11.021 -1.271 -8.112 843 HG21 ILE 113 1HG2 ILE 113 9.632 -4.656 -6.000 844 HG22 ILE 113 2HG2 ILE 113 10.052 -3.124 -5.234 845 HG23 ILE 113 3HG2 ILE 113 11.326 -4.220 -5.772 846 HD11 ILE 113 3HD1 ILE 113 9.493 -0.041 -6.318 847 HD12 ILE 113 1HD1 ILE 113 8.555 -1.519 -6.513 848 HD13 ILE 113 2HD1 ILE 113 8.910 -0.508 -7.914 849 H GLY 114 H GLY 114 12.655 -1.921 -9.504 850 HA2 GLY 114 2HA GLY 114 12.831 -1.701 -11.909 851 HA3 GLY 114 1HA GLY 114 11.232 -2.410 -12.040 852 H LEU 115 H LEU 115 11.774 -0.037 -9.564 853 HA LEU 115 HA LEU 115 9.866 1.737 -10.822 854 HB2 LEU 115 2HB LEU 115 10.210 1.125 -8.274 855 HB3 LEU 115 1HB LEU 115 11.339 2.464 -8.333 856 HG LEU 115 HG LEU 115 9.103 3.534 -9.528 857 HD11 LEU 115 1HD1 LEU 115 7.521 1.939 -9.066 858 HD12 LEU 115 2HD1 LEU 115 7.382 2.969 -7.640 859 HD13 LEU 115 3HD1 LEU 115 8.286 1.457 -7.554 860 HD21 LEU 115 3HD2 LEU 115 9.368 3.750 -6.576 861 HD22 LEU 115 1HD2 LEU 115 9.163 5.012 -7.792 862 HD23 LEU 115 2HD2 LEU 115 10.737 4.246 -7.573 863 H LEU 116 H LEU 116 13.275 1.884 -9.818 864 HA LEU 116 HA LEU 116 13.614 4.200 -11.617 865 HB2 LEU 116 2HB LEU 116 14.682 3.688 -8.872 866 HB3 LEU 116 1HB LEU 116 15.648 4.628 -9.993 867 HG LEU 116 HG LEU 116 12.857 5.520 -9.796 868 HD11 LEU 116 1HD1 LEU 116 12.749 6.157 -7.625 869 HD12 LEU 116 2HD1 LEU 116 14.498 6.322 -7.467 870 HD13 LEU 116 3HD1 LEU 116 13.755 4.724 -7.416 871 HD21 LEU 116 3HD2 LEU 116 15.117 7.305 -9.179 872 HD22 LEU 116 1HD2 LEU 116 13.765 7.522 -10.290 873 HD23 LEU 116 2HD2 LEU 116 15.155 6.550 -10.771 874 HA PRO 117 HA PRO 117 16.397 0.592 -12.843 875 HB2 PRO 117 2HB PRO 117 15.468 0.273 -15.364 876 HB3 PRO 117 1HB PRO 117 14.740 -0.537 -13.972 877 HG2 PRO 117 2HG PRO 117 13.857 1.943 -15.397 878 HG3 PRO 117 1HG PRO 117 12.882 0.578 -14.819 879 HD2 PRO 117 2HD PRO 117 13.077 2.919 -13.466 880 HD3 PRO 117 1HD PRO 117 12.847 1.358 -12.655 Start of MODEL 13 1 H MET 9 1HT MET 9 -19.828 -15.119 0.309 2 HA MET 9 HA MET 9 -18.276 -13.509 0.645 3 HB2 MET 9 2HB MET 9 -17.298 -16.289 1.182 4 HB3 MET 9 1HB MET 9 -16.280 -14.921 1.603 5 HG2 MET 9 2HG MET 9 -17.359 -14.872 3.535 6 HG3 MET 9 1HG MET 9 -18.732 -14.225 2.641 7 HE1 MET 9 2HE MET 9 -17.753 -17.895 4.641 8 HE2 MET 9 3HE MET 9 -19.079 -17.094 5.484 9 HE3 MET 9 1HE MET 9 -17.627 -16.187 5.065 10 H SER 10 H SER 10 -17.130 -15.860 -1.714 11 HA SER 10 HA SER 10 -14.621 -14.690 -2.244 12 HB2 SER 10 2HB SER 10 -16.377 -16.656 -3.607 13 HB3 SER 10 1HB SER 10 -15.170 -15.852 -4.609 14 HG SER 10 HG SER 10 -14.019 -17.469 -3.815 15 H ALA 11 H ALA 11 -17.785 -13.622 -3.039 16 HA ALA 11 HA ALA 11 -17.528 -12.359 -5.462 17 HB1 ALA 11 1HB ALA 11 -19.103 -11.743 -3.013 18 HB2 ALA 11 2HB ALA 11 -19.654 -12.206 -4.622 19 HB3 ALA 11 3HB ALA 11 -19.075 -10.566 -4.328 20 H PHE 12 H PHE 12 -16.296 -11.290 -2.339 21 HA PHE 12 HA PHE 12 -15.145 -8.908 -3.615 22 HB2 PHE 12 2HB PHE 12 -16.512 -9.069 -1.279 23 HB3 PHE 12 1HB PHE 12 -14.863 -9.250 -0.689 24 HD1 PHE 12 1HD PHE 12 -13.157 -7.474 -1.675 25 HD2 PHE 12 2HD PHE 12 -17.377 -6.954 -1.472 26 HE1 PHE 12 1HE PHE 12 -12.859 -5.033 -1.772 27 HE2 PHE 12 2HE PHE 12 -17.084 -4.514 -1.569 28 HZ PHE 12 HZ PHE 12 -14.825 -3.552 -1.718 29 H VAL 13 H VAL 13 -14.281 -11.771 -1.714 30 HA VAL 13 HA VAL 13 -11.548 -11.208 -1.389 31 HB VAL 13 HB VAL 13 -12.783 -13.955 -1.640 32 HG11 VAL 13 1HG1 VAL 13 -10.824 -14.257 0.143 33 HG12 VAL 13 2HG1 VAL 13 -10.138 -12.928 -0.792 34 HG13 VAL 13 3HG1 VAL 13 -10.567 -14.441 -1.591 35 HG21 VAL 13 3HG2 VAL 13 -13.660 -13.790 0.423 36 HG22 VAL 13 1HG2 VAL 13 -13.551 -12.050 0.162 37 HG23 VAL 13 2HG2 VAL 13 -12.277 -12.890 1.045 38 H THR 14 H THR 14 -13.132 -13.303 -3.821 39 HA THR 14 HA THR 14 -10.811 -13.849 -5.308 40 HB THR 14 HB THR 14 -13.655 -13.742 -6.332 41 HG1 THR 14 1HG THR 14 -12.238 -15.809 -5.011 42 HG21 THR 14 3HG2 THR 14 -12.047 -15.881 -7.365 43 HG22 THR 14 1HG2 THR 14 -11.305 -14.320 -7.712 44 HG23 THR 14 2HG2 THR 14 -12.961 -14.642 -8.226 45 H LYS 15 H LYS 15 -13.184 -11.238 -5.541 46 HA LYS 15 HA LYS 15 -12.273 -10.108 -7.950 47 HB2 LYS 15 2HB LYS 15 -14.016 -9.289 -5.728 48 HB3 LYS 15 1HB LYS 15 -13.227 -7.954 -6.554 49 HG2 LYS 15 2HG LYS 15 -15.447 -8.454 -7.469 50 HG3 LYS 15 1HG LYS 15 -14.164 -8.647 -8.666 51 HD2 LYS 15 2HD LYS 15 -14.520 -10.869 -8.871 52 HD3 LYS 15 1HD LYS 15 -14.832 -11.079 -7.147 53 HE2 LYS 15 2HE LYS 15 -16.938 -11.457 -7.882 54 HE3 LYS 15 1HE LYS 15 -17.025 -9.698 -7.817 55 HZ1 LYS 15 3HZ LYS 15 -17.874 -10.565 -9.910 56 HZ2 LYS 15 1HZ LYS 15 -16.387 -11.302 -10.238 57 HZ3 LYS 15 2HZ LYS 15 -16.499 -9.615 -10.172 58 H ALA 16 H ALA 16 -11.202 -9.732 -4.617 59 HA ALA 16 HA ALA 16 -9.565 -7.472 -4.921 60 HB1 ALA 16 1HB ALA 16 -8.905 -7.852 -2.790 61 HB2 ALA 16 2HB ALA 16 -8.607 -9.567 -3.070 62 HB3 ALA 16 3HB ALA 16 -10.252 -8.990 -2.808 63 H GLU 17 H GLU 17 -8.834 -10.931 -5.295 64 HA GLU 17 HA GLU 17 -6.094 -10.672 -5.843 65 HB2 GLU 17 2HB GLU 17 -8.156 -12.763 -6.401 66 HB3 GLU 17 1HB GLU 17 -6.591 -12.888 -7.194 67 HG2 GLU 17 2HG GLU 17 -6.309 -12.345 -4.372 68 HG3 GLU 17 1HG GLU 17 -7.259 -13.799 -4.665 69 H GLU 18 H GLU 18 -8.925 -10.442 -7.930 70 HA GLU 18 HA GLU 18 -7.466 -10.372 -10.376 71 HB2 GLU 18 2HB GLU 18 -10.285 -9.706 -9.588 72 HB3 GLU 18 1HB GLU 18 -9.693 -9.266 -11.183 73 HG2 GLU 18 2HG GLU 18 -9.247 -12.056 -10.309 74 HG3 GLU 18 1HG GLU 18 -10.903 -11.579 -10.678 75 H MET 19 H MET 19 -8.458 -7.952 -8.034 76 HA MET 19 HA MET 19 -7.998 -5.677 -9.675 77 HB2 MET 19 2HB MET 19 -8.478 -6.172 -6.791 78 HB3 MET 19 1HB MET 19 -7.669 -4.669 -7.202 79 HG2 MET 19 2HG MET 19 -9.515 -3.761 -8.103 80 HG3 MET 19 1HG MET 19 -10.063 -5.289 -8.790 81 HE1 MET 19 3HE MET 19 -11.810 -2.802 -6.575 82 HE2 MET 19 1HE MET 19 -13.049 -4.055 -6.664 83 HE3 MET 19 2HE MET 19 -12.102 -3.647 -8.094 84 H ILE 20 H ILE 20 -6.004 -7.313 -7.208 85 HA ILE 20 HA ILE 20 -3.782 -5.567 -7.545 86 HB ILE 20 HB ILE 20 -2.541 -7.377 -6.290 87 HG12 ILE 20 2HG1 ILE 20 -4.992 -8.649 -5.357 88 HG13 ILE 20 1HG1 ILE 20 -4.686 -8.956 -7.062 89 HG21 ILE 20 1HG2 ILE 20 -3.836 -5.363 -5.339 90 HG22 ILE 20 2HG2 ILE 20 -3.341 -6.649 -4.239 91 HG23 ILE 20 3HG2 ILE 20 -5.008 -6.569 -4.808 92 HD11 ILE 20 3HD1 ILE 20 -2.580 -9.374 -4.975 93 HD12 ILE 20 1HD1 ILE 20 -2.650 -10.013 -6.617 94 HD13 ILE 20 2HD1 ILE 20 -3.760 -10.619 -5.389 95 H LYS 21 H LYS 21 -4.962 -8.231 -9.339 96 HA LYS 21 HA LYS 21 -2.589 -9.359 -10.303 97 HB2 LYS 21 2HB LYS 21 -5.420 -9.327 -11.101 98 HB3 LYS 21 1HB LYS 21 -4.292 -9.626 -12.412 99 HG2 LYS 21 2HG LYS 21 -3.410 -11.554 -11.315 100 HG3 LYS 21 1HG LYS 21 -4.309 -11.191 -9.841 101 HD2 LYS 21 2HD LYS 21 -6.280 -11.281 -11.758 102 HD3 LYS 21 1HD LYS 21 -5.169 -12.549 -12.277 103 HE2 LYS 21 2HE LYS 21 -5.237 -13.376 -9.874 104 HE3 LYS 21 1HE LYS 21 -6.602 -12.285 -9.646 105 HZ1 LYS 21 3HZ LYS 21 -7.878 -13.906 -10.422 106 HZ2 LYS 21 1HZ LYS 21 -6.544 -14.851 -10.860 107 HZ3 LYS 21 2HZ LYS 21 -7.162 -13.706 -11.941 108 H SER 22 H SER 22 -4.722 -7.022 -11.963 109 HA SER 22 HA SER 22 -2.669 -6.351 -13.865 110 HB2 SER 22 2HB SER 22 -5.381 -5.084 -13.404 111 HB3 SER 22 1HB SER 22 -4.332 -4.795 -14.791 112 HG SER 22 HG SER 22 -6.151 -6.648 -14.568 113 H HIS 23 H HIS 23 -3.635 -5.264 -10.766 114 HA HIS 23 HA HIS 23 -1.953 -2.874 -11.093 115 HB2 HIS 23 2HB HIS 23 -4.614 -3.189 -9.867 116 HB3 HIS 23 1HB HIS 23 -3.466 -2.263 -8.906 117 HD1 HIS 23 1HD HIS 23 -2.020 -0.724 -11.141 118 HD2 HIS 23 2HD HIS 23 -6.142 -1.219 -10.945 119 HE1 HIS 23 1HE HIS 23 -2.988 1.167 -12.485 120 HE2 HIS 23 2HE HIS 23 -5.482 0.830 -12.379 121 HA PRO 24 HA PRO 24 -0.097 -5.819 -7.967 122 HB2 PRO 24 2HB PRO 24 2.426 -5.701 -8.973 123 HB3 PRO 24 1HB PRO 24 1.212 -6.856 -9.532 124 HG2 PRO 24 2HG PRO 24 2.043 -4.250 -10.752 125 HG3 PRO 24 1HG PRO 24 1.746 -5.812 -11.542 126 HD2 PRO 24 2HD PRO 24 -0.083 -3.830 -11.550 127 HD3 PRO 24 1HD PRO 24 -0.546 -5.543 -11.490 128 H TYR 25 H TYR 25 0.822 -2.653 -9.209 129 HA TYR 25 HA TYR 25 2.424 -2.068 -6.858 130 HB2 TYR 25 2HB TYR 25 1.743 -0.461 -9.330 131 HB3 TYR 25 1HB TYR 25 2.724 0.147 -8.009 132 HD1 TYR 25 1HD TYR 25 4.524 -1.990 -7.343 133 HD2 TYR 25 2HD TYR 25 3.075 -0.823 -11.170 134 HE1 TYR 25 1HE TYR 25 6.525 -2.961 -8.393 135 HE2 TYR 25 2HE TYR 25 5.071 -1.791 -12.228 136 HH TYR 25 HH TYR 25 7.463 -2.310 -11.513 137 H PHE 26 H PHE 26 0.297 -2.510 -5.631 138 HA PHE 26 HA PHE 26 -1.342 -0.072 -5.508 139 HB2 PHE 26 2HB PHE 26 -2.187 -2.643 -5.757 140 HB3 PHE 26 1HB PHE 26 -2.234 -2.452 -4.009 141 HD1 PHE 26 2HD PHE 26 -3.121 -0.315 -6.949 142 HD2 PHE 26 1HD PHE 26 -4.323 -1.964 -3.213 143 HE1 PHE 26 2HE PHE 26 -5.285 0.840 -7.139 144 HE2 PHE 26 1HE PHE 26 -6.489 -0.813 -3.398 145 HZ PHE 26 HZ PHE 26 -6.971 0.591 -5.363 146 H GLN 27 H GLN 27 -1.629 1.033 -3.628 147 HA GLN 27 HA GLN 27 -0.328 0.060 -1.192 148 HB2 GLN 27 2HB GLN 27 1.295 1.501 -2.436 149 HB3 GLN 27 1HB GLN 27 0.150 2.829 -2.311 150 HG2 GLN 27 2HG GLN 27 0.290 2.643 0.161 151 HG3 GLN 27 1HG GLN 27 1.549 1.426 -0.046 152 HE21 GLN 27 1HE2 GLN 27 1.642 4.069 1.234 153 HE22 GLN 27 2HE2 GLN 27 2.902 4.936 0.430 154 H LEU 28 H LEU 28 -2.163 -0.114 0.011 155 HA LEU 28 HA LEU 28 -4.219 1.908 -0.115 156 HB2 LEU 28 2HB LEU 28 -4.428 -0.679 0.346 157 HB3 LEU 28 1HB LEU 28 -4.173 -0.187 2.010 158 HG LEU 28 HG LEU 28 -6.209 1.415 0.662 159 HD11 LEU 28 1HD1 LEU 28 -7.864 -0.197 0.334 160 HD12 LEU 28 2HD1 LEU 28 -6.947 -1.444 1.180 161 HD13 LEU 28 3HD1 LEU 28 -6.426 -0.892 -0.413 162 HD21 LEU 28 3HD2 LEU 28 -6.328 1.706 2.901 163 HD22 LEU 28 1HD2 LEU 28 -5.733 0.085 3.258 164 HD23 LEU 28 2HD2 LEU 28 -7.415 0.321 2.786 165 H SER 29 H SER 29 -4.690 3.462 1.367 166 HA SER 29 HA SER 29 -3.259 3.591 3.886 167 HB2 SER 29 2HB SER 29 -1.802 4.639 2.039 168 HB3 SER 29 1HB SER 29 -2.993 5.938 2.011 169 HG SER 29 HG SER 29 -1.033 6.049 3.490 170 H ALA 30 H ALA 30 -3.774 6.002 4.802 171 HA ALA 30 HA ALA 30 -6.697 6.120 4.860 172 HB1 ALA 30 1HB ALA 30 -5.124 7.876 6.633 173 HB2 ALA 30 2HB ALA 30 -4.912 6.144 6.878 174 HB3 ALA 30 3HB ALA 30 -6.520 6.859 6.991 175 H SER 31 H SER 31 -7.215 8.691 5.579 176 HA SER 31 HA SER 31 -6.400 10.202 3.189 177 HB2 SER 31 2HB SER 31 -8.950 10.132 4.767 178 HB3 SER 31 1HB SER 31 -8.532 11.576 3.846 179 HG SER 31 HG SER 31 -8.587 10.407 1.979 180 H TRP 32 H TRP 32 -6.895 10.462 6.696 181 HA TRP 32 HA TRP 32 -5.131 12.811 6.669 182 HB2 TRP 32 2HB TRP 32 -7.905 12.756 7.454 183 HB3 TRP 32 1HB TRP 32 -6.900 13.178 8.834 184 HD1 TRP 32 HD TRP 32 -8.901 15.032 6.768 185 HE1 TRP 32 1HE TRP 32 -7.927 17.308 6.064 186 HE3 TRP 32 3HE TRP 32 -3.967 14.166 7.807 187 HZ2 TRP 32 2HZ TRP 32 -5.404 18.568 5.959 188 HZ3 TRP 32 3HZ TRP 32 -2.340 15.960 7.374 189 HH2 TRP 32 HH TRP 32 -3.046 18.115 6.470 190 H CYS 33 H CYS 33 -4.417 10.105 7.208 191 HA CYS 33 HA CYS 33 -4.099 9.997 10.118 192 HB2 CYS 33 2HB CYS 33 -4.838 7.992 8.673 193 HB3 CYS 33 1HB CYS 33 -3.153 7.900 8.173 194 HG CYS 33 HG CYS 33 -3.805 7.697 11.193 195 HA PRO 34 HA PRO 34 0.014 11.681 10.111 196 HB2 PRO 34 2HB PRO 34 0.510 9.591 12.176 197 HB3 PRO 34 1HB PRO 34 0.817 11.331 12.240 198 HG2 PRO 34 2HG PRO 34 -1.245 10.289 13.548 199 HG3 PRO 34 1HG PRO 34 -1.405 11.838 12.698 200 HD2 PRO 34 2HD PRO 34 -2.383 9.127 11.902 201 HD3 PRO 34 1HD PRO 34 -3.156 10.711 11.696 202 H ASP 35 H ASP 35 -0.565 8.216 9.917 203 HA ASP 35 HA ASP 35 2.101 7.547 9.096 204 HB2 ASP 35 2HB ASP 35 0.140 6.066 10.154 205 HB3 ASP 35 1HB ASP 35 -0.200 5.758 8.455 206 H CYS 36 H CYS 36 -0.967 8.228 7.502 207 HA CYS 36 HA CYS 36 -0.133 7.510 4.883 208 HB2 CYS 36 2HB CYS 36 -2.498 7.601 5.488 209 HB3 CYS 36 1HB CYS 36 -2.372 9.333 5.781 210 HG CYS 36 HG CYS 36 -1.888 9.567 3.158 211 H VAL 37 H VAL 37 -0.361 10.634 6.580 212 HA VAL 37 HA VAL 37 0.362 12.290 4.467 213 HB VAL 37 HB VAL 37 1.154 13.920 6.156 214 HG11 VAL 37 1HG1 VAL 37 -1.345 12.891 7.351 215 HG12 VAL 37 2HG1 VAL 37 -1.365 13.189 5.613 216 HG13 VAL 37 3HG1 VAL 37 -0.957 14.494 6.726 217 HG21 VAL 37 3HG2 VAL 37 0.984 13.393 8.536 218 HG22 VAL 37 1HG2 VAL 37 2.169 12.356 7.738 219 HG23 VAL 37 2HG2 VAL 37 0.574 11.723 8.144 220 H TYR 38 H TYR 38 2.425 10.419 6.644 221 HA TYR 38 HA TYR 38 4.883 11.563 5.787 222 HB2 TYR 38 2HB TYR 38 4.672 10.339 7.915 223 HB3 TYR 38 1HB TYR 38 4.363 8.850 7.030 224 HD1 TYR 38 1HD TYR 38 6.931 11.418 7.761 225 HD2 TYR 38 2HD TYR 38 6.160 7.552 6.152 226 HE1 TYR 38 1HE TYR 38 9.347 10.965 7.702 227 HE2 TYR 38 2HE TYR 38 8.575 7.091 6.093 228 HH TYR 38 HH TYR 38 10.845 8.953 7.720 229 H ALA 39 H ALA 39 3.138 8.592 4.871 230 HA ALA 39 HA ALA 39 5.004 7.606 3.030 231 HB1 ALA 39 1HB ALA 39 3.482 5.996 2.588 232 HB2 ALA 39 2HB ALA 39 2.158 7.145 2.395 233 HB3 ALA 39 3HB ALA 39 2.681 6.665 4.009 234 H ASN 40 H ASN 40 2.272 9.832 2.557 235 HA ASN 40 HA ASN 40 2.697 10.051 -0.267 236 HB2 ASN 40 2HB ASN 40 0.818 11.158 1.701 237 HB3 ASN 40 1HB ASN 40 1.219 12.261 0.386 238 HD21 ASN 40 1HD2 ASN 40 -0.950 10.046 1.315 239 HD22 ASN 40 2HD2 ASN 40 -1.478 9.463 -0.221 240 H SER 41 H SER 41 3.850 11.723 2.567 241 HA SER 41 HA SER 41 4.672 14.120 1.386 242 HB2 SER 41 2HB SER 41 4.587 13.819 3.815 243 HB3 SER 41 1HB SER 41 5.900 12.644 3.729 244 HG SER 41 HG SER 41 6.066 15.288 3.921 245 H ILE 42 H ILE 42 6.466 11.082 1.892 246 HA ILE 42 HA ILE 42 8.880 11.964 0.713 247 HB ILE 42 HB ILE 42 7.903 9.109 0.857 248 HG12 ILE 42 2HG1 ILE 42 7.776 10.198 3.072 249 HG13 ILE 42 1HG1 ILE 42 9.027 8.964 3.023 250 HG21 ILE 42 1HG2 ILE 42 10.722 10.171 0.872 251 HG22 ILE 42 2HG2 ILE 42 9.890 9.604 -0.576 252 HG23 ILE 42 3HG2 ILE 42 10.206 8.489 0.754 253 HD11 ILE 42 3HD1 ILE 42 9.606 11.106 4.208 254 HD12 ILE 42 1HD1 ILE 42 9.615 11.878 2.623 255 HD13 ILE 42 2HD1 ILE 42 10.745 10.570 2.973 256 H TRP 43 H TRP 43 6.127 10.136 -0.621 257 HA TRP 43 HA TRP 43 7.251 9.783 -3.196 258 HB2 TRP 43 2HB TRP 43 4.654 9.313 -1.910 259 HB3 TRP 43 1HB TRP 43 4.538 9.694 -3.624 260 HD1 TRP 43 HD TRP 43 4.224 7.454 -4.831 261 HE1 TRP 43 1HE TRP 43 5.387 5.159 -4.782 262 HE3 TRP 43 3HE TRP 43 7.479 8.264 -0.968 263 HZ2 TRP 43 2HZ TRP 43 7.413 3.863 -3.305 264 HZ3 TRP 43 3HZ TRP 43 8.994 6.446 -0.301 265 HH2 TRP 43 HH TRP 43 8.959 4.290 -1.448 266 H ASN 44 H ASN 44 5.392 12.372 -1.736 267 HA ASN 44 HA ASN 44 4.691 13.719 -4.133 268 HB2 ASN 44 2HB ASN 44 4.645 14.330 -1.231 269 HB3 ASN 44 1HB ASN 44 4.691 15.718 -2.311 270 HD21 ASN 44 1HD2 ASN 44 3.098 12.561 -2.663 271 HD22 ASN 44 2HD2 ASN 44 1.503 13.200 -2.829 272 H LYS 45 H LYS 45 7.519 13.803 -2.045 273 HA LYS 45 HA LYS 45 8.677 16.100 -3.352 274 HB2 LYS 45 2HB LYS 45 9.035 15.377 -0.911 275 HB3 LYS 45 1HB LYS 45 10.121 14.154 -1.555 276 HG2 LYS 45 2HG LYS 45 10.558 16.959 -2.411 277 HG3 LYS 45 1HG LYS 45 10.965 16.536 -0.748 278 HD2 LYS 45 2HD LYS 45 11.952 14.967 -3.124 279 HD3 LYS 45 1HD LYS 45 12.835 16.337 -2.448 280 HE2 LYS 45 2HE LYS 45 12.950 15.199 -0.285 281 HE3 LYS 45 1HE LYS 45 12.057 13.833 -0.954 282 HZ1 LYS 45 3HZ LYS 45 13.848 13.148 -2.186 283 HZ2 LYS 45 1HZ LYS 45 14.642 13.783 -0.834 284 HZ3 LYS 45 2HZ LYS 45 14.551 14.686 -2.260 285 H LEU 46 H LEU 46 8.993 12.592 -3.470 286 HA LEU 46 HA LEU 46 11.247 12.664 -5.251 287 HB2 LEU 46 2HB LEU 46 9.541 10.511 -4.081 288 HB3 LEU 46 1HB LEU 46 10.568 10.138 -5.452 289 HG LEU 46 HG LEU 46 11.595 11.308 -2.866 290 HD11 LEU 46 1HD1 LEU 46 10.639 9.123 -2.431 291 HD12 LEU 46 2HD1 LEU 46 12.400 9.041 -2.373 292 HD13 LEU 46 3HD1 LEU 46 11.535 8.437 -3.786 293 HD21 LEU 46 3HD2 LEU 46 13.317 9.759 -4.694 294 HD22 LEU 46 1HD2 LEU 46 13.676 11.200 -3.743 295 HD23 LEU 46 2HD2 LEU 46 12.807 11.345 -5.271 296 H ASN 47 H ASN 47 7.959 13.160 -5.727 297 HA ASN 47 HA ASN 47 6.580 13.164 -7.533 298 HB2 ASN 47 2HB ASN 47 8.387 14.688 -8.316 299 HB3 ASN 47 1HB ASN 47 9.187 13.312 -9.062 300 HD21 ASN 47 1HD2 ASN 47 6.059 14.988 -9.012 301 HD22 ASN 47 2HD2 ASN 47 5.734 14.789 -10.698 302 H VAL 48 H VAL 48 6.942 10.648 -6.540 303 HA VAL 48 HA VAL 48 7.106 8.979 -8.965 304 HB VAL 48 HB VAL 48 7.668 7.070 -7.442 305 HG11 VAL 48 1HG1 VAL 48 10.027 8.220 -6.837 306 HG12 VAL 48 2HG1 VAL 48 9.413 9.373 -8.022 307 HG13 VAL 48 3HG1 VAL 48 9.588 7.674 -8.455 308 HG21 VAL 48 3HG2 VAL 48 6.790 8.445 -5.404 309 HG22 VAL 48 1HG2 VAL 48 8.444 9.056 -5.349 310 HG23 VAL 48 2HG2 VAL 48 8.136 7.324 -5.201 311 H GLN 49 H GLN 49 4.740 10.345 -8.098 312 HA GLN 49 HA GLN 49 3.054 8.210 -6.999 313 HB2 GLN 49 2HB GLN 49 3.128 10.900 -6.458 314 HB3 GLN 49 1HB GLN 49 1.790 10.795 -7.592 315 HG2 GLN 49 2HG GLN 49 2.001 9.069 -5.141 316 HG3 GLN 49 1HG GLN 49 1.200 10.639 -5.154 317 HE21 GLN 49 1HE2 GLN 49 1.012 7.316 -6.105 318 HE22 GLN 49 2HE2 GLN 49 -0.615 7.357 -6.680 319 H ASP 50 H ASP 50 4.101 8.111 -9.729 320 HA ASP 50 HA ASP 50 1.549 8.128 -11.204 321 HB2 ASP 50 2HB ASP 50 3.607 9.758 -11.839 322 HB3 ASP 50 1HB ASP 50 4.069 8.328 -12.757 323 H LYS 51 H LYS 51 4.812 6.691 -11.092 324 HA LYS 51 HA LYS 51 4.242 4.457 -12.704 325 HB2 LYS 51 2HB LYS 51 6.290 4.693 -10.490 326 HB3 LYS 51 1HB LYS 51 6.286 3.481 -11.763 327 HG2 LYS 51 2HG LYS 51 6.545 5.302 -13.429 328 HG3 LYS 51 1HG LYS 51 6.681 6.450 -12.096 329 HD2 LYS 51 2HD LYS 51 8.508 4.502 -11.426 330 HD3 LYS 51 1HD LYS 51 8.655 4.593 -13.181 331 HE2 LYS 51 2HE LYS 51 10.116 6.245 -12.650 332 HE3 LYS 51 1HE LYS 51 8.639 7.205 -12.631 333 HZ1 LYS 51 3HZ LYS 51 9.448 7.784 -10.619 334 HZ2 LYS 51 1HZ LYS 51 10.331 6.354 -10.417 335 HZ3 LYS 51 2HZ LYS 51 8.665 6.370 -10.123 336 H VAL 52 H VAL 52 3.546 5.122 -9.362 337 HA VAL 52 HA VAL 52 2.626 2.348 -8.972 338 HB VAL 52 HB VAL 52 4.364 3.042 -7.374 339 HG11 VAL 52 1HG1 VAL 52 4.184 5.357 -7.183 340 HG12 VAL 52 2HG1 VAL 52 3.620 4.767 -5.618 341 HG13 VAL 52 3HG1 VAL 52 2.457 5.292 -6.836 342 HG21 VAL 52 3HG2 VAL 52 3.340 2.219 -5.439 343 HG22 VAL 52 1HG2 VAL 52 2.389 1.533 -6.756 344 HG23 VAL 52 2HG2 VAL 52 1.776 2.920 -5.857 345 H PHE 53 H PHE 53 0.591 2.079 -7.787 346 HA PHE 53 HA PHE 53 -1.194 4.393 -8.090 347 HB2 PHE 53 2HB PHE 53 -1.429 2.015 -9.432 348 HB3 PHE 53 1HB PHE 53 -2.465 1.740 -8.037 349 HD1 PHE 53 2HD PHE 53 -3.993 3.932 -7.497 350 HD2 PHE 53 1HD PHE 53 -2.480 2.781 -11.306 351 HE1 PHE 53 2HE PHE 53 -5.799 5.195 -8.594 352 HE2 PHE 53 1HE PHE 53 -4.283 4.041 -12.407 353 HZ PHE 53 HZ PHE 53 -5.945 5.248 -11.051 354 H VAL 54 H VAL 54 -1.593 5.198 -6.200 355 HA VAL 54 HA VAL 54 -1.830 3.457 -3.843 356 HB VAL 54 HB VAL 54 -1.569 6.463 -3.882 357 HG11 VAL 54 1HG1 VAL 54 -1.382 6.408 -1.606 358 HG12 VAL 54 2HG1 VAL 54 -0.779 4.750 -1.582 359 HG13 VAL 54 3HG1 VAL 54 -2.492 5.064 -1.859 360 HG21 VAL 54 3HG2 VAL 54 0.568 4.345 -3.670 361 HG22 VAL 54 1HG2 VAL 54 0.812 6.026 -3.196 362 HG23 VAL 54 2HG2 VAL 54 0.434 5.630 -4.870 363 H PHE 55 H PHE 55 -3.721 3.236 -2.784 364 HA PHE 55 HA PHE 55 -5.978 4.942 -3.615 365 HB2 PHE 55 2HB PHE 55 -5.945 2.411 -4.265 366 HB3 PHE 55 1HB PHE 55 -6.383 2.158 -2.580 367 HD1 PHE 55 1HD PHE 55 -7.411 4.221 -5.514 368 HD2 PHE 55 2HD PHE 55 -8.611 2.081 -2.036 369 HE1 PHE 55 1HE PHE 55 -9.770 4.649 -6.070 370 HE2 PHE 55 2HE PHE 55 -10.971 2.505 -2.586 371 HZ PHE 55 HZ PHE 55 -11.552 3.789 -4.605 372 H ASP 56 H ASP 56 -6.495 6.287 -2.050 373 HA ASP 56 HA ASP 56 -6.084 5.509 0.744 374 HB2 ASP 56 2HB ASP 56 -6.561 8.195 -0.559 375 HB3 ASP 56 1HB ASP 56 -6.470 7.961 1.183 376 H ILE 57 H ILE 57 -7.797 4.583 1.683 377 HA ILE 57 HA ILE 57 -10.490 5.372 0.838 378 HB ILE 57 HB ILE 57 -11.214 3.394 2.255 379 HG12 ILE 57 2HG1 ILE 57 -8.371 2.448 1.999 380 HG13 ILE 57 1HG1 ILE 57 -8.883 3.347 3.425 381 HG21 ILE 57 1HG2 ILE 57 -9.415 2.429 0.093 382 HG22 ILE 57 2HG2 ILE 57 -10.702 3.562 -0.316 383 HG23 ILE 57 3HG2 ILE 57 -11.096 2.016 0.436 384 HD11 ILE 57 3HD1 ILE 57 -9.542 0.601 2.570 385 HD12 ILE 57 1HD1 ILE 57 -10.822 1.519 3.364 386 HD13 ILE 57 2HD1 ILE 57 -9.282 1.262 4.185 387 H GLY 58 H GLY 58 -10.286 7.445 1.970 388 HA2 GLY 58 2HA GLY 58 -10.711 7.163 4.883 389 HA3 GLY 58 1HA GLY 58 -9.974 8.570 4.134 390 H SER 59 H SER 59 -12.758 7.028 2.679 391 HA SER 59 HA SER 59 -14.537 9.070 3.798 392 HB2 SER 59 2HB SER 59 -13.466 9.469 1.334 393 HB3 SER 59 1HB SER 59 -14.914 8.558 0.908 394 HG SER 59 HG SER 59 -15.223 10.864 1.018 395 H LEU 60 H LEU 60 -14.245 6.190 4.247 396 HA LEU 60 HA LEU 60 -16.830 5.227 3.199 397 HB2 LEU 60 2HB LEU 60 -14.684 3.461 4.338 398 HB3 LEU 60 1HB LEU 60 -16.043 3.008 3.332 399 HG LEU 60 HG LEU 60 -13.589 4.529 2.440 400 HD11 LEU 60 1HD1 LEU 60 -13.536 1.985 2.911 401 HD12 LEU 60 2HD1 LEU 60 -12.884 2.593 1.391 402 HD13 LEU 60 3HD1 LEU 60 -14.486 1.861 1.433 403 HD21 LEU 60 3HD2 LEU 60 -14.514 4.447 0.208 404 HD22 LEU 60 1HD2 LEU 60 -15.650 5.267 1.279 405 HD23 LEU 60 2HD2 LEU 60 -15.944 3.597 0.795 406 HA PRO 61 HA PRO 61 -18.393 5.547 7.348 407 HB2 PRO 61 2HB PRO 61 -20.301 3.457 6.468 408 HB3 PRO 61 1HB PRO 61 -20.619 5.080 7.089 409 HG2 PRO 61 2HG PRO 61 -20.968 4.510 4.510 410 HG3 PRO 61 1HG PRO 61 -20.309 6.076 5.021 411 HD2 PRO 61 2HD PRO 61 -18.872 3.681 3.929 412 HD3 PRO 61 1HD PRO 61 -18.631 5.404 3.565 413 H ARG 62 H ARG 62 -19.550 3.637 8.846 414 HA ARG 62 HA ARG 62 -17.325 1.932 9.519 415 HB2 ARG 62 2HB ARG 62 -20.045 2.009 10.833 416 HB3 ARG 62 1HB ARG 62 -18.552 1.373 11.509 417 HG2 ARG 62 2HG ARG 62 -18.509 3.369 12.550 418 HG3 ARG 62 1HG ARG 62 -17.781 3.899 11.033 419 HD2 ARG 62 2HD ARG 62 -19.494 5.257 10.614 420 HD3 ARG 62 1HD ARG 62 -20.653 3.950 10.839 421 HE ARG 62 HE ARG 62 -21.072 4.720 12.954 422 HH11 ARG 62 1HH1 ARG 62 -18.163 6.262 11.755 423 HH12 ARG 62 2HH1 ARG 62 -18.068 7.382 13.070 424 HH21 ARG 62 1HH2 ARG 62 -20.935 6.200 14.688 425 HH22 ARG 62 2HH2 ARG 62 -19.639 7.347 14.735 426 H ASN 63 H ASN 63 -19.393 1.511 7.123 427 HA ASN 63 HA ASN 63 -19.764 -1.368 7.621 428 HB2 ASN 63 2HB ASN 63 -21.712 0.496 6.973 429 HB3 ASN 63 1HB ASN 63 -21.351 -0.268 5.428 430 HD21 ASN 63 1HD2 ASN 63 -22.334 -2.124 4.990 431 HD22 ASN 63 2HD2 ASN 63 -23.132 -3.136 6.140 432 H GLU 64 H GLU 64 -18.888 1.078 5.192 433 HA GLU 64 HA GLU 64 -18.061 -0.930 3.283 434 HB2 GLU 64 2HB GLU 64 -19.050 1.188 2.522 435 HB3 GLU 64 1HB GLU 64 -17.717 2.076 3.247 436 HG2 GLU 64 2HG GLU 64 -16.476 1.809 1.437 437 HG3 GLU 64 1HG GLU 64 -16.699 0.061 1.480 438 H GLN 65 H GLN 65 -16.503 1.369 5.492 439 HA GLN 65 HA GLN 65 -13.849 0.953 4.678 440 HB2 GLN 65 2HB GLN 65 -14.794 2.751 6.251 441 HB3 GLN 65 1HB GLN 65 -14.650 1.546 7.521 442 HG2 GLN 65 2HG GLN 65 -12.423 1.760 7.652 443 HG3 GLN 65 1HG GLN 65 -12.231 1.913 5.905 444 HE21 GLN 65 1HE2 GLN 65 -12.704 3.994 4.945 445 HE22 GLN 65 2HE2 GLN 65 -12.457 5.432 5.872 446 H GLU 66 H GLU 66 -15.855 -0.763 7.045 447 HA GLU 66 HA GLU 66 -13.844 -2.404 8.122 448 HB2 GLU 66 2HB GLU 66 -16.586 -2.081 8.506 449 HB3 GLU 66 1HB GLU 66 -16.422 -3.742 7.956 450 HG2 GLU 66 2HG GLU 66 -15.963 -4.267 10.060 451 HG3 GLU 66 1HG GLU 66 -14.405 -3.479 9.820 452 H LYS 67 H LYS 67 -15.961 -2.838 5.308 453 HA LYS 67 HA LYS 67 -15.338 -5.485 4.698 454 HB2 LYS 67 2HB LYS 67 -16.438 -3.179 3.227 455 HB3 LYS 67 1HB LYS 67 -15.672 -4.400 2.220 456 HG2 LYS 67 2HG LYS 67 -17.147 -6.093 3.010 457 HG3 LYS 67 1HG LYS 67 -17.791 -5.026 4.259 458 HD2 LYS 67 2HD LYS 67 -18.291 -3.547 2.054 459 HD3 LYS 67 1HD LYS 67 -18.413 -5.174 1.380 460 HE2 LYS 67 2HE LYS 67 -20.571 -4.857 2.073 461 HE3 LYS 67 1HE LYS 67 -19.882 -5.600 3.515 462 HZ1 LYS 67 3HZ LYS 67 -20.793 -2.866 3.089 463 HZ2 LYS 67 1HZ LYS 67 -19.412 -3.052 4.053 464 HZ3 LYS 67 2HZ LYS 67 -20.855 -3.824 4.480 465 H TRP 68 H TRP 68 -13.730 -2.494 3.607 466 HA TRP 68 HA TRP 68 -11.772 -3.790 2.031 467 HB2 TRP 68 2HB TRP 68 -12.361 -1.076 2.880 468 HB3 TRP 68 1HB TRP 68 -10.629 -1.391 2.899 469 HD1 TRP 68 HD TRP 68 -9.400 -1.560 0.597 470 HE1 TRP 68 1HE TRP 68 -10.135 -1.218 -1.843 471 HE3 TRP 68 3HE TRP 68 -14.464 -1.423 1.284 472 HZ2 TRP 68 2HZ TRP 68 -12.540 -0.930 -3.290 473 HZ3 TRP 68 3HZ TRP 68 -15.912 -1.111 -0.681 474 HH2 TRP 68 HH TRP 68 -14.968 -0.870 -2.919 475 H ARG 69 H ARG 69 -11.912 -2.932 5.442 476 HA ARG 69 HA ARG 69 -9.181 -3.358 6.047 477 HB2 ARG 69 2HB ARG 69 -11.212 -2.307 7.432 478 HB3 ARG 69 1HB ARG 69 -11.246 -3.925 8.116 479 HG2 ARG 69 2HG ARG 69 -9.528 -3.458 9.433 480 HG3 ARG 69 1HG ARG 69 -8.546 -2.964 8.054 481 HD2 ARG 69 2HD ARG 69 -8.856 -0.783 8.471 482 HD3 ARG 69 1HD ARG 69 -10.576 -0.998 8.789 483 HE ARG 69 HE ARG 69 -8.449 -0.902 10.722 484 HH11 ARG 69 1HH1 ARG 69 -11.709 -2.025 10.108 485 HH12 ARG 69 2HH1 ARG 69 -12.142 -2.072 11.780 486 HH21 ARG 69 1HH2 ARG 69 -9.027 -0.971 12.932 487 HH22 ARG 69 2HH2 ARG 69 -10.620 -1.475 13.383 488 H ILE 70 H ILE 70 -12.027 -5.498 6.336 489 HA ILE 70 HA ILE 70 -10.497 -7.726 7.264 490 HB ILE 70 HB ILE 70 -13.249 -7.809 6.023 491 HG12 ILE 70 2HG1 ILE 70 -12.630 -7.628 8.970 492 HG13 ILE 70 1HG1 ILE 70 -12.913 -6.193 7.991 493 HG21 ILE 70 1HG2 ILE 70 -12.092 -9.666 8.085 494 HG22 ILE 70 2HG2 ILE 70 -11.917 -9.954 6.354 495 HG23 ILE 70 3HG2 ILE 70 -13.523 -9.893 7.080 496 HD11 ILE 70 3HD1 ILE 70 -14.851 -8.457 8.403 497 HD12 ILE 70 1HD1 ILE 70 -15.138 -7.010 7.434 498 HD13 ILE 70 2HD1 ILE 70 -14.916 -6.873 9.178 499 H ALA 71 H ALA 71 -11.813 -6.774 4.103 500 HA ALA 71 HA ALA 71 -11.196 -9.077 2.661 501 HB1 ALA 71 1HB ALA 71 -10.962 -7.377 0.702 502 HB2 ALA 71 2HB ALA 71 -11.514 -6.204 1.900 503 HB3 ALA 71 3HB ALA 71 -12.524 -7.592 1.493 504 H PHE 72 H PHE 72 -9.169 -6.241 3.365 505 HA PHE 72 HA PHE 72 -6.968 -7.030 1.787 506 HB2 PHE 72 2HB PHE 72 -7.581 -4.902 3.626 507 HB3 PHE 72 1HB PHE 72 -5.973 -5.531 3.963 508 HD1 PHE 72 1HD PHE 72 -7.897 -4.987 0.809 509 HD2 PHE 72 2HD PHE 72 -4.377 -4.161 3.053 510 HE1 PHE 72 1HE PHE 72 -6.995 -3.705 -1.085 511 HE2 PHE 72 2HE PHE 72 -3.469 -2.878 1.161 512 HZ PHE 72 HZ PHE 72 -4.778 -2.649 -0.911 513 H GLN 73 H GLN 73 -7.599 -7.429 5.279 514 HA GLN 73 HA GLN 73 -5.224 -8.793 5.893 515 HB2 GLN 73 2HB GLN 73 -7.279 -7.855 7.368 516 HB3 GLN 73 1HB GLN 73 -7.667 -9.570 7.380 517 HG2 GLN 73 2HG GLN 73 -4.864 -8.911 7.967 518 HG3 GLN 73 1HG GLN 73 -6.040 -8.358 9.159 519 HE21 GLN 73 1HE2 GLN 73 -7.721 -10.105 9.711 520 HE22 GLN 73 2HE2 GLN 73 -7.085 -11.684 10.009 521 H LYS 74 H LYS 74 -8.121 -9.861 4.311 522 HA LYS 74 HA LYS 74 -7.691 -12.666 4.744 523 HB2 LYS 74 2HB LYS 74 -9.823 -11.110 3.933 524 HB3 LYS 74 1HB LYS 74 -9.352 -11.926 2.455 525 HG2 LYS 74 2HG LYS 74 -9.535 -13.658 4.820 526 HG3 LYS 74 1HG LYS 74 -11.056 -12.939 4.292 527 HD2 LYS 74 2HD LYS 74 -11.011 -14.016 2.250 528 HD3 LYS 74 1HD LYS 74 -9.258 -14.211 2.277 529 HE2 LYS 74 2HE LYS 74 -9.784 -16.346 2.788 530 HE3 LYS 74 1HE LYS 74 -9.911 -15.693 4.420 531 HZ1 LYS 74 3HZ LYS 74 -11.919 -16.676 4.318 532 HZ2 LYS 74 1HZ LYS 74 -12.002 -16.629 2.628 533 HZ3 LYS 74 2HZ LYS 74 -12.376 -15.248 3.534 534 H VAL 75 H VAL 75 -6.803 -10.306 2.303 535 HA VAL 75 HA VAL 75 -5.886 -12.347 0.452 536 HB VAL 75 HB VAL 75 -5.560 -9.348 0.224 537 HG11 VAL 75 1HG1 VAL 75 -5.170 -11.635 -1.683 538 HG12 VAL 75 2HG1 VAL 75 -4.036 -10.357 -1.248 539 HG13 VAL 75 3HG1 VAL 75 -5.442 -9.987 -2.247 540 HG21 VAL 75 3HG2 VAL 75 -7.598 -9.177 -0.816 541 HG22 VAL 75 1HG2 VAL 75 -7.958 -10.443 0.359 542 HG23 VAL 75 2HG2 VAL 75 -7.609 -10.868 -1.317 543 H VAL 76 H VAL 76 -4.416 -9.740 2.411 544 HA VAL 76 HA VAL 76 -1.822 -11.075 2.012 545 HB VAL 76 HB VAL 76 -0.739 -8.918 2.543 546 HG11 VAL 76 1HG1 VAL 76 -1.686 -9.761 0.179 547 HG12 VAL 76 2HG1 VAL 76 -0.765 -8.270 0.379 548 HG13 VAL 76 3HG1 VAL 76 -2.527 -8.215 0.300 549 HG21 VAL 76 3HG2 VAL 76 -2.394 -7.817 3.859 550 HG22 VAL 76 1HG2 VAL 76 -3.574 -7.894 2.553 551 HG23 VAL 76 2HG2 VAL 76 -2.158 -6.853 2.399 552 H GLY 77 H GLY 77 -3.845 -9.441 4.436 553 HA2 GLY 77 2HA GLY 77 -4.033 -10.331 6.658 554 HA3 GLY 77 1HA GLY 77 -2.401 -10.962 6.504 555 H SER 78 H SER 78 -3.513 -7.682 5.726 556 HA SER 78 HA SER 78 -1.589 -6.663 7.689 557 HB2 SER 78 2HB SER 78 -2.917 -5.155 5.422 558 HB3 SER 78 1HB SER 78 -1.561 -4.609 6.408 559 HG SER 78 HG SER 78 -0.313 -6.279 5.503 560 H ARG 79 H ARG 79 -2.507 -6.261 9.597 561 HA ARG 79 HA ARG 79 -5.282 -5.380 9.740 562 HB2 ARG 79 2HB ARG 79 -3.518 -6.869 11.438 563 HB3 ARG 79 1HB ARG 79 -4.108 -5.472 12.323 564 HG2 ARG 79 2HG ARG 79 -6.408 -6.370 11.210 565 HG3 ARG 79 1HG ARG 79 -5.526 -7.882 11.432 566 HD2 ARG 79 2HD ARG 79 -6.815 -7.498 13.402 567 HD3 ARG 79 1HD ARG 79 -5.122 -7.207 13.802 568 HE ARG 79 HE ARG 79 -6.224 -4.762 13.073 569 HH11 ARG 79 1HH1 ARG 79 -6.649 -7.142 15.610 570 HH12 ARG 79 2HH1 ARG 79 -7.181 -5.981 16.776 571 HH21 ARG 79 1HH2 ARG 79 -6.926 -3.238 14.620 572 HH22 ARG 79 2HH2 ARG 79 -7.338 -3.768 16.216 573 H ASN 80 H ASN 80 -3.258 -3.563 8.656 574 HA ASN 80 HA ASN 80 -3.996 -1.208 10.064 575 HB2 ASN 80 2HB ASN 80 -2.078 -2.280 11.466 576 HB3 ASN 80 1HB ASN 80 -1.032 -1.701 10.174 577 HD21 ASN 80 1HD2 ASN 80 -3.817 -0.395 11.971 578 HD22 ASN 80 2HD2 ASN 80 -3.060 1.104 12.371 579 H LEU 81 H LEU 81 -2.851 0.763 9.148 580 HA LEU 81 HA LEU 81 -1.838 0.322 6.428 581 HB2 LEU 81 2HB LEU 81 -3.248 2.432 5.831 582 HB3 LEU 81 1HB LEU 81 -3.988 0.846 5.817 583 HG LEU 81 HG LEU 81 -4.557 1.575 8.349 584 HD11 LEU 81 1HD1 LEU 81 -3.852 3.718 8.570 585 HD12 LEU 81 2HD1 LEU 81 -5.438 4.037 7.867 586 HD13 LEU 81 3HD1 LEU 81 -4.000 4.064 6.847 587 HD21 LEU 81 3HD2 LEU 81 -6.779 2.127 7.549 588 HD22 LEU 81 1HD2 LEU 81 -6.125 0.764 6.641 589 HD23 LEU 81 2HD2 LEU 81 -6.153 2.372 5.918 590 HA PRO 82 HA PRO 82 -1.706 2.067 4.728 591 HB2 PRO 82 2HB PRO 82 0.477 2.840 3.360 592 HB3 PRO 82 1HB PRO 82 -0.725 3.998 3.939 593 HG2 PRO 82 2HG PRO 82 1.941 3.294 5.092 594 HG3 PRO 82 1HG PRO 82 1.172 4.884 4.937 595 HD2 PRO 82 2HD PRO 82 1.213 3.414 7.254 596 HD3 PRO 82 1HD PRO 82 -0.025 4.625 6.867 597 H THR 83 H THR 83 -1.136 0.440 3.234 598 HA THR 83 HA THR 83 1.097 -1.307 4.031 599 HB THR 83 HB THR 83 -0.824 -2.457 4.811 600 HG1 THR 83 1HG THR 83 -0.462 -3.563 2.235 601 HG21 THR 83 3HG2 THR 83 -2.124 -1.754 2.198 602 HG22 THR 83 1HG2 THR 83 -2.647 -1.335 3.831 603 HG23 THR 83 2HG2 THR 83 -2.737 -3.008 3.280 604 H ILE 84 H ILE 84 2.483 -1.707 2.426 605 HA ILE 84 HA ILE 84 1.667 -1.011 -0.307 606 HB ILE 84 HB ILE 84 4.467 -1.482 0.712 607 HG12 ILE 84 2HG1 ILE 84 3.730 1.273 0.054 608 HG13 ILE 84 1HG1 ILE 84 2.825 0.633 1.421 609 HG21 ILE 84 1HG2 ILE 84 4.784 -1.635 -1.514 610 HG22 ILE 84 2HG2 ILE 84 4.734 0.126 -1.428 611 HG23 ILE 84 3HG2 ILE 84 3.293 -0.775 -1.898 612 HD11 ILE 84 3HD1 ILE 84 5.297 -0.142 2.109 613 HD12 ILE 84 1HD1 ILE 84 4.594 1.407 2.570 614 HD13 ILE 84 2HD1 ILE 84 5.678 1.308 1.182 615 H VAL 85 H VAL 85 0.969 -2.674 -1.474 616 HA VAL 85 HA VAL 85 2.283 -5.292 -1.147 617 HB VAL 85 HB VAL 85 0.274 -6.296 -2.156 618 HG11 VAL 85 1HG1 VAL 85 0.135 -4.714 0.355 619 HG12 VAL 85 2HG1 VAL 85 0.105 -6.459 0.113 620 HG13 VAL 85 3HG1 VAL 85 -1.335 -5.499 -0.222 621 HG21 VAL 85 3HG2 VAL 85 -1.694 -4.351 -1.893 622 HG22 VAL 85 1HG2 VAL 85 -1.054 -5.006 -3.400 623 HG23 VAL 85 2HG2 VAL 85 -0.373 -3.528 -2.720 624 H VAL 86 H VAL 86 3.620 -5.882 -2.719 625 HA VAL 86 HA VAL 86 3.265 -4.694 -5.399 626 HB VAL 86 HB VAL 86 5.843 -5.766 -4.241 627 HG11 VAL 86 1HG1 VAL 86 6.912 -4.985 -6.139 628 HG12 VAL 86 2HG1 VAL 86 5.611 -3.865 -6.541 629 HG13 VAL 86 3HG1 VAL 86 5.393 -5.597 -6.795 630 HG21 VAL 86 3HG2 VAL 86 4.944 -2.891 -4.461 631 HG22 VAL 86 1HG2 VAL 86 6.522 -3.450 -3.908 632 HG23 VAL 86 2HG2 VAL 86 5.077 -3.815 -2.965 633 H ASN 87 H ASN 87 2.626 -6.062 -6.927 634 HA ASN 87 HA ASN 87 2.302 -7.943 -8.157 635 HB2 ASN 87 2HB ASN 87 4.943 -8.035 -7.516 636 HB3 ASN 87 1HB ASN 87 4.386 -9.552 -6.818 637 HD21 ASN 87 1HD2 ASN 87 5.070 -7.820 -9.700 638 HD22 ASN 87 2HD2 ASN 87 4.754 -9.108 -10.808 639 H GLY 88 H GLY 88 0.763 -7.595 -5.842 640 HA2 GLY 88 2HA GLY 88 -0.760 -8.740 -4.566 641 HA3 GLY 88 1HA GLY 88 -0.381 -10.145 -5.543 642 H LYS 89 H LYS 89 1.557 -8.243 -3.255 643 HA LYS 89 HA LYS 89 1.520 -10.158 -1.195 644 HB2 LYS 89 2HB LYS 89 3.950 -10.844 -1.390 645 HB3 LYS 89 1HB LYS 89 2.854 -11.578 -2.553 646 HG2 LYS 89 2HG LYS 89 3.582 -9.984 -4.251 647 HG3 LYS 89 1HG LYS 89 4.681 -9.243 -3.086 648 HD2 LYS 89 2HD LYS 89 6.061 -11.136 -3.020 649 HD3 LYS 89 1HD LYS 89 4.829 -12.166 -3.753 650 HE2 LYS 89 2HE LYS 89 5.138 -11.211 -5.876 651 HE3 LYS 89 1HE LYS 89 6.013 -9.828 -5.217 652 HZ1 LYS 89 3HZ LYS 89 7.532 -11.345 -6.275 653 HZ2 LYS 89 1HZ LYS 89 6.988 -12.632 -5.320 654 HZ3 LYS 89 2HZ LYS 89 7.821 -11.343 -4.609 655 H PHE 90 H PHE 90 2.206 -9.263 0.640 656 HA PHE 90 HA PHE 90 2.713 -6.535 0.848 657 HB2 PHE 90 2HB PHE 90 1.845 -8.043 2.656 658 HB3 PHE 90 1HB PHE 90 3.488 -8.637 2.877 659 HD1 PHE 90 2HD PHE 90 1.375 -5.601 3.064 660 HD2 PHE 90 1HD PHE 90 5.020 -7.477 4.208 661 HE1 PHE 90 2HE PHE 90 1.820 -3.768 4.644 662 HE2 PHE 90 1HE PHE 90 5.468 -5.648 5.789 663 HZ PHE 90 HZ PHE 90 3.867 -3.794 6.008 664 H TRP 91 H TRP 91 4.447 -5.422 0.206 665 HA TRP 91 HA TRP 91 7.109 -6.599 0.656 666 HB2 TRP 91 2HB TRP 91 5.931 -6.057 -1.843 667 HB3 TRP 91 1HB TRP 91 7.146 -4.810 -1.599 668 HD1 TRP 91 HD TRP 91 7.073 -8.685 -1.140 669 HE1 TRP 91 1HE TRP 91 9.276 -9.627 -2.085 670 HE3 TRP 91 3HE TRP 91 9.279 -4.305 -2.609 671 HZ2 TRP 91 2HZ TRP 91 11.633 -8.646 -3.292 672 HZ3 TRP 91 3HZ TRP 91 11.506 -4.399 -3.650 673 HH2 TRP 91 HH TRP 91 12.657 -6.524 -3.984 674 H GLY 92 H GLY 92 5.157 -4.158 1.632 675 HA2 GLY 92 2HA GLY 92 7.438 -2.572 2.479 676 HA3 GLY 92 1HA GLY 92 6.309 -1.735 1.431 677 H THR 93 H THR 93 7.143 -1.599 4.375 678 HA THR 93 HA THR 93 4.413 -1.521 5.493 679 HB THR 93 HB THR 93 6.782 -1.787 7.286 680 HG1 THR 93 1HG THR 93 7.212 -3.465 5.954 681 HG21 THR 93 3HG2 THR 93 3.922 -2.094 7.504 682 HG22 THR 93 1HG2 THR 93 5.147 -1.930 8.764 683 HG23 THR 93 2HG2 THR 93 4.784 -3.517 8.087 684 H GLU 94 H GLU 94 4.211 0.000 7.367 685 HA GLU 94 HA GLU 94 4.893 2.623 6.610 686 HB2 GLU 94 2HB GLU 94 4.086 3.232 8.926 687 HB3 GLU 94 1HB GLU 94 2.943 2.325 7.949 688 HG2 GLU 94 2HG GLU 94 2.966 0.546 9.330 689 HG3 GLU 94 1HG GLU 94 4.683 0.706 9.691 690 H SER 95 H SER 95 6.335 0.376 8.920 691 HA SER 95 HA SER 95 8.275 2.308 9.839 692 HB2 SER 95 2HB SER 95 7.193 0.148 11.041 693 HB3 SER 95 1HB SER 95 8.681 -0.571 10.427 694 HG SER 95 HG SER 95 9.846 0.692 11.716 695 H GLN 96 H GLN 96 8.109 -0.274 7.482 696 HA GLN 96 HA GLN 96 10.808 -0.804 7.088 697 HB2 GLN 96 2HB GLN 96 8.748 -1.919 6.023 698 HB3 GLN 96 1HB GLN 96 8.850 -0.652 4.810 699 HG2 GLN 96 2HG GLN 96 11.329 -1.430 4.613 700 HG3 GLN 96 1HG GLN 96 10.717 -2.909 5.354 701 HE21 GLN 96 1HE2 GLN 96 9.796 -0.633 2.782 702 HE22 GLN 96 2HE2 GLN 96 9.351 -1.847 1.636 703 H LEU 97 H LEU 97 8.878 1.930 6.029 704 HA LEU 97 HA LEU 97 10.557 2.972 4.051 705 HB2 LEU 97 2HB LEU 97 8.943 4.620 5.997 706 HB3 LEU 97 1HB LEU 97 9.447 5.077 4.382 707 HG LEU 97 HG LEU 97 7.607 2.746 4.821 708 HD11 LEU 97 1HD1 LEU 97 5.884 4.656 4.106 709 HD12 LEU 97 2HD1 LEU 97 7.010 5.631 5.050 710 HD13 LEU 97 3HD1 LEU 97 6.213 4.243 5.789 711 HD21 LEU 97 3HD2 LEU 97 8.539 2.868 2.627 712 HD22 LEU 97 1HD2 LEU 97 8.189 4.593 2.512 713 HD23 LEU 97 2HD2 LEU 97 6.869 3.424 2.526 714 H HIS 98 H HIS 98 10.399 3.850 7.510 715 HA HIS 98 HA HIS 98 12.621 5.562 7.488 716 HB2 HIS 98 2HB HIS 98 10.771 4.752 9.386 717 HB3 HIS 98 1HB HIS 98 12.293 4.129 10.013 718 HD1 HIS 98 1HD HIS 98 13.817 6.755 8.670 719 HD2 HIS 98 2HD HIS 98 10.769 6.650 11.495 720 HE1 HIS 98 1HE HIS 98 13.964 8.942 9.904 721 HE2 HIS 98 2HE HIS 98 12.068 8.884 11.561 722 H ARG 99 H ARG 99 12.398 2.063 7.870 723 HA ARG 99 HA ARG 99 15.089 1.684 8.704 724 HB2 ARG 99 2HB ARG 99 12.897 -0.088 7.732 725 HB3 ARG 99 1HB ARG 99 14.539 -0.715 7.718 726 HG2 ARG 99 2HG ARG 99 14.277 0.417 10.233 727 HG3 ARG 99 1HG ARG 99 12.714 -0.343 9.932 728 HD2 ARG 99 2HD ARG 99 13.597 -2.320 10.419 729 HD3 ARG 99 1HD ARG 99 14.703 -2.151 9.057 730 HE ARG 99 HE ARG 99 15.570 -0.780 11.433 731 HH11 ARG 99 1HH1 ARG 99 15.601 -3.841 9.725 732 HH12 ARG 99 2HH1 ARG 99 17.033 -4.404 10.512 733 HH21 ARG 99 1HH2 ARG 99 17.458 -1.536 12.467 734 HH22 ARG 99 2HH2 ARG 99 18.086 -3.101 12.069 735 H PHE 100 H PHE 100 13.474 1.543 5.555 736 HA PHE 100 HA PHE 100 15.840 0.788 4.133 737 HB2 PHE 100 2HB PHE 100 13.063 1.573 3.380 738 HB3 PHE 100 1HB PHE 100 14.314 1.717 2.151 739 HD1 PHE 100 2HD PHE 100 13.629 -0.818 4.808 740 HD2 PHE 100 1HD PHE 100 14.158 -0.019 0.661 741 HE1 PHE 100 2HE PHE 100 13.426 -3.221 4.321 742 HE2 PHE 100 1HE PHE 100 13.954 -2.420 0.169 743 HZ PHE 100 HZ PHE 100 13.589 -4.024 2.000 744 H GLU 101 H GLU 101 14.156 3.861 4.716 745 HA GLU 101 HA GLU 101 15.834 5.414 3.029 746 HB2 GLU 101 2HB GLU 101 13.482 5.888 4.305 747 HB3 GLU 101 1HB GLU 101 14.595 6.774 5.336 748 HG2 GLU 101 2HG GLU 101 14.920 8.382 3.814 749 HG3 GLU 101 1HG GLU 101 14.986 7.239 2.475 750 H ALA 102 H ALA 102 15.889 4.687 6.492 751 HA ALA 102 HA ALA 102 18.073 6.393 7.122 752 HB1 ALA 102 1HB ALA 102 17.116 3.956 8.620 753 HB2 ALA 102 2HB ALA 102 16.476 5.586 8.811 754 HB3 ALA 102 3HB ALA 102 18.148 5.240 9.253 755 H LYS 103 H LYS 103 17.862 2.917 6.364 756 HA LYS 103 HA LYS 103 20.639 2.419 6.719 757 HB2 LYS 103 2HB LYS 103 18.415 0.907 5.367 758 HB3 LYS 103 1HB LYS 103 20.072 0.328 5.352 759 HG2 LYS 103 2HG LYS 103 19.263 1.020 8.026 760 HG3 LYS 103 1HG LYS 103 18.139 -0.131 7.299 761 HD2 LYS 103 2HD LYS 103 19.645 -1.634 8.064 762 HD3 LYS 103 1HD LYS 103 20.464 -1.244 6.552 763 HE2 LYS 103 2HE LYS 103 21.920 0.294 7.655 764 HE3 LYS 103 1HE LYS 103 20.999 0.176 9.154 765 HZ1 LYS 103 3HZ LYS 103 22.858 -1.771 7.960 766 HZ2 LYS 103 1HZ LYS 103 21.630 -2.315 8.990 767 HZ3 LYS 103 2HZ LYS 103 22.776 -1.207 9.552 768 H GLY 104 H GLY 104 18.710 3.610 4.075 769 HA2 GLY 104 2HA GLY 104 19.556 4.753 2.212 770 HA3 GLY 104 1HA GLY 104 21.138 4.050 2.521 771 H THR 105 H THR 105 18.297 2.026 2.469 772 HA THR 105 HA THR 105 19.190 0.918 -0.115 773 HB THR 105 HB THR 105 18.346 -1.249 0.631 774 HG1 THR 105 1HG THR 105 17.752 0.034 3.092 775 HG21 THR 105 3HG2 THR 105 19.958 -0.296 2.953 776 HG22 THR 105 1HG2 THR 105 20.671 -0.387 1.343 777 HG23 THR 105 2HG2 THR 105 20.018 -1.838 2.101 778 H LEU 106 H LEU 106 16.995 2.989 0.782 779 HA LEU 106 HA LEU 106 14.513 1.825 0.014 780 HB2 LEU 106 2HB LEU 106 15.153 4.071 1.316 781 HB3 LEU 106 1HB LEU 106 14.944 4.751 -0.286 782 HG LEU 106 HG LEU 106 12.761 2.985 0.621 783 HD11 LEU 106 1HD1 LEU 106 11.816 5.033 1.894 784 HD12 LEU 106 2HD1 LEU 106 13.512 5.488 2.070 785 HD13 LEU 106 3HD1 LEU 106 12.941 3.949 2.713 786 HD21 LEU 106 3HD2 LEU 106 12.319 5.760 -0.288 787 HD22 LEU 106 1HD2 LEU 106 11.511 4.265 -0.761 788 HD23 LEU 106 2HD2 LEU 106 13.087 4.670 -1.444 789 H GLU 107 H GLU 107 16.898 3.843 -1.695 790 HA GLU 107 HA GLU 107 15.475 4.039 -4.123 791 HB2 GLU 107 2HB GLU 107 17.798 5.117 -3.141 792 HB3 GLU 107 1HB GLU 107 18.405 4.009 -4.363 793 HG2 GLU 107 2HG GLU 107 18.143 5.947 -5.565 794 HG3 GLU 107 1HG GLU 107 16.623 5.114 -5.887 795 H GLU 108 H GLU 108 17.912 1.723 -2.988 796 HA GLU 108 HA GLU 108 18.238 0.271 -5.355 797 HB2 GLU 108 2HB GLU 108 19.500 0.143 -3.066 798 HB3 GLU 108 1HB GLU 108 18.300 -1.083 -2.679 799 HG2 GLU 108 2HG GLU 108 19.057 -2.054 -5.013 800 HG3 GLU 108 1HG GLU 108 20.522 -1.147 -4.643 801 H GLU 109 H GLU 109 15.849 -0.047 -2.765 802 HA GLU 109 HA GLU 109 14.644 -2.437 -3.607 803 HB2 GLU 109 2HB GLU 109 14.291 -1.220 -1.408 804 HB3 GLU 109 1HB GLU 109 13.208 -0.139 -2.273 805 HG2 GLU 109 2HG GLU 109 12.118 -2.457 -2.994 806 HG3 GLU 109 1HG GLU 109 12.835 -2.959 -1.466 807 H LEU 110 H LEU 110 14.037 0.938 -4.511 808 HA LEU 110 HA LEU 110 11.722 0.554 -6.033 809 HB2 LEU 110 2HB LEU 110 13.716 2.649 -5.685 810 HB3 LEU 110 1HB LEU 110 13.089 2.594 -7.321 811 HG LEU 110 HG LEU 110 10.781 2.757 -6.401 812 HD11 LEU 110 1HD1 LEU 110 10.300 2.868 -4.198 813 HD12 LEU 110 2HD1 LEU 110 11.796 3.714 -3.798 814 HD13 LEU 110 3HD1 LEU 110 11.810 1.968 -4.049 815 HD21 LEU 110 3HD2 LEU 110 11.442 4.806 -7.150 816 HD22 LEU 110 1HD2 LEU 110 12.850 4.867 -6.088 817 HD23 LEU 110 2HD2 LEU 110 11.240 5.181 -5.438 818 H THR 111 H THR 111 15.128 0.175 -6.891 819 HA THR 111 HA THR 111 14.654 -0.220 -9.681 820 HB THR 111 HB THR 111 17.047 -1.039 -8.014 821 HG1 THR 111 1HG THR 111 17.794 0.941 -8.307 822 HG21 THR 111 3HG2 THR 111 16.832 -0.569 -10.978 823 HG22 THR 111 1HG2 THR 111 17.057 -2.130 -10.187 824 HG23 THR 111 2HG2 THR 111 18.316 -0.900 -10.083 825 H LYS 112 H LYS 112 14.892 -2.320 -6.863 826 HA LYS 112 HA LYS 112 15.017 -4.788 -8.234 827 HB2 LYS 112 2HB LYS 112 15.348 -4.112 -5.674 828 HB3 LYS 112 1HB LYS 112 13.675 -4.643 -5.579 829 HG2 LYS 112 2HG LYS 112 14.633 -6.636 -5.170 830 HG3 LYS 112 1HG LYS 112 14.728 -6.710 -6.931 831 HD2 LYS 112 2HD LYS 112 17.014 -5.743 -6.796 832 HD3 LYS 112 1HD LYS 112 16.903 -5.821 -5.036 833 HE2 LYS 112 2HE LYS 112 18.117 -7.741 -5.809 834 HE3 LYS 112 1HE LYS 112 16.542 -8.270 -5.220 835 HZ1 LYS 112 3HZ LYS 112 17.582 -8.984 -7.577 836 HZ2 LYS 112 1HZ LYS 112 16.652 -7.651 -8.051 837 HZ3 LYS 112 2HZ LYS 112 15.922 -8.952 -7.254 838 H ILE 113 H ILE 113 12.263 -2.972 -6.874 839 HA ILE 113 HA ILE 113 10.294 -4.873 -7.563 840 HB ILE 113 HB ILE 113 8.650 -3.049 -7.295 841 HG12 ILE 113 2HG1 ILE 113 11.108 -1.323 -6.912 842 HG13 ILE 113 1HG1 ILE 113 9.930 -1.189 -8.213 843 HG21 ILE 113 1HG2 ILE 113 8.993 -2.718 -4.945 844 HG22 ILE 113 2HG2 ILE 113 10.716 -3.054 -5.102 845 HG23 ILE 113 3HG2 ILE 113 9.538 -4.338 -5.374 846 HD11 ILE 113 3HD1 ILE 113 9.767 -0.302 -5.401 847 HD12 ILE 113 1HD1 ILE 113 8.282 -0.886 -6.153 848 HD13 ILE 113 2HD1 ILE 113 9.163 0.461 -6.872 849 H GLY 114 H GLY 114 11.916 -2.450 -9.444 850 HA2 GLY 114 2HA GLY 114 11.931 -2.600 -11.835 851 HA3 GLY 114 1HA GLY 114 10.302 -3.259 -11.768 852 H LEU 115 H LEU 115 11.193 -0.487 -9.840 853 HA LEU 115 HA LEU 115 9.216 1.111 -11.237 854 HB2 LEU 115 2HB LEU 115 9.994 0.943 -8.615 855 HB3 LEU 115 1HB LEU 115 10.800 2.409 -9.137 856 HG LEU 115 HG LEU 115 8.469 3.100 -10.044 857 HD11 LEU 115 1HD1 LEU 115 7.586 1.135 -7.941 858 HD12 LEU 115 2HD1 LEU 115 7.512 0.810 -9.672 859 HD13 LEU 115 3HD1 LEU 115 6.576 2.136 -8.983 860 HD21 LEU 115 3HD2 LEU 115 8.140 4.340 -8.141 861 HD22 LEU 115 1HD2 LEU 115 9.826 3.866 -7.940 862 HD23 LEU 115 2HD2 LEU 115 8.557 3.005 -7.066 863 H LEU 116 H LEU 116 12.703 1.286 -10.528 864 HA LEU 116 HA LEU 116 13.100 3.675 -12.038 865 HB2 LEU 116 2HB LEU 116 14.799 1.755 -10.572 866 HB3 LEU 116 1HB LEU 116 15.583 2.597 -11.895 867 HG LEU 116 HG LEU 116 15.081 4.747 -10.886 868 HD11 LEU 116 1HD1 LEU 116 13.158 4.783 -9.717 869 HD12 LEU 116 2HD1 LEU 116 14.211 4.386 -8.359 870 HD13 LEU 116 3HD1 LEU 116 13.321 3.108 -9.188 871 HD21 LEU 116 3HD2 LEU 116 16.144 3.094 -8.632 872 HD22 LEU 116 1HD2 LEU 116 16.667 4.679 -9.202 873 HD23 LEU 116 2HD2 LEU 116 17.049 3.234 -10.139 874 HA PRO 117 HA PRO 117 14.902 0.801 -15.446 875 HB2 PRO 117 2HB PRO 117 14.720 -1.882 -15.176 876 HB3 PRO 117 1HB PRO 117 16.060 -0.953 -14.496 877 HG2 PRO 117 2HG PRO 117 13.606 -2.005 -13.145 878 HG3 PRO 117 1HG PRO 117 15.287 -2.012 -12.578 879 HD2 PRO 117 2HD PRO 117 13.446 -0.191 -11.744 880 HD3 PRO 117 1HD PRO 117 15.181 0.161 -11.844 Start of MODEL 14 1 H MET 9 1HT MET 9 -17.543 -12.819 2.106 2 HA MET 9 HA MET 9 -15.383 -13.574 1.874 3 HB2 MET 9 2HB MET 9 -17.647 -15.271 2.145 4 HB3 MET 9 1HB MET 9 -16.411 -16.173 1.279 5 HG2 MET 9 2HG MET 9 -15.493 -16.632 3.235 6 HG3 MET 9 1HG MET 9 -15.046 -14.932 3.354 7 HE1 MET 9 2HE MET 9 -16.091 -13.863 6.255 8 HE2 MET 9 3HE MET 9 -14.800 -14.785 5.485 9 HE3 MET 9 1HE MET 9 -15.770 -15.523 6.760 10 H SER 10 H SER 10 -17.105 -13.693 -1.092 11 HA SER 10 HA SER 10 -14.683 -14.648 -2.469 12 HB2 SER 10 2HB SER 10 -16.498 -15.283 -4.309 13 HB3 SER 10 1HB SER 10 -16.078 -16.402 -3.013 14 HG SER 10 HG SER 10 -18.324 -16.200 -3.195 15 H ALA 11 H ALA 11 -17.685 -12.767 -2.878 16 HA ALA 11 HA ALA 11 -17.076 -11.429 -5.217 17 HB1 ALA 11 1HB ALA 11 -18.709 -9.790 -4.601 18 HB2 ALA 11 2HB ALA 11 -18.569 -10.219 -2.896 19 HB3 ALA 11 3HB ALA 11 -19.266 -11.366 -4.039 20 H PHE 12 H PHE 12 -16.052 -10.654 -1.930 21 HA PHE 12 HA PHE 12 -14.796 -8.186 -2.733 22 HB2 PHE 12 2HB PHE 12 -15.156 -9.671 -0.177 23 HB3 PHE 12 1HB PHE 12 -13.794 -8.560 -0.284 24 HD1 PHE 12 1HD PHE 12 -14.321 -6.161 -1.087 25 HD2 PHE 12 2HD PHE 12 -17.252 -8.871 0.391 26 HE1 PHE 12 1HE PHE 12 -15.813 -4.271 -0.590 27 HE2 PHE 12 2HE PHE 12 -18.750 -6.984 0.887 28 HZ PHE 12 HZ PHE 12 -18.030 -4.680 0.398 29 H VAL 13 H VAL 13 -13.792 -11.487 -2.000 30 HA VAL 13 HA VAL 13 -11.013 -10.976 -2.021 31 HB VAL 13 HB VAL 13 -12.384 -13.598 -2.640 32 HG11 VAL 13 1HG1 VAL 13 -9.804 -13.564 -1.242 33 HG12 VAL 13 2HG1 VAL 13 -9.746 -12.993 -2.907 34 HG13 VAL 13 3HG1 VAL 13 -10.376 -14.600 -2.549 35 HG21 VAL 13 3HG2 VAL 13 -11.558 -12.396 0.001 36 HG22 VAL 13 1HG2 VAL 13 -12.036 -14.077 -0.224 37 HG23 VAL 13 2HG2 VAL 13 -13.196 -12.782 -0.525 38 H THR 14 H THR 14 -13.232 -12.190 -4.537 39 HA THR 14 HA THR 14 -11.286 -12.499 -6.554 40 HB THR 14 HB THR 14 -14.178 -11.790 -7.057 41 HG1 THR 14 1HG THR 14 -14.671 -13.532 -6.036 42 HG21 THR 14 3HG2 THR 14 -12.105 -13.305 -8.588 43 HG22 THR 14 1HG2 THR 14 -13.111 -11.955 -9.112 44 HG23 THR 14 2HG2 THR 14 -13.830 -13.548 -8.869 45 H LYS 15 H LYS 15 -13.391 -9.751 -5.714 46 HA LYS 15 HA LYS 15 -12.659 -8.084 -7.853 47 HB2 LYS 15 2HB LYS 15 -14.130 -7.807 -5.362 48 HB3 LYS 15 1HB LYS 15 -13.172 -6.373 -5.706 49 HG2 LYS 15 2HG LYS 15 -15.182 -5.891 -6.724 50 HG3 LYS 15 1HG LYS 15 -14.222 -6.522 -8.064 51 HD2 LYS 15 2HD LYS 15 -15.970 -7.878 -8.434 52 HD3 LYS 15 1HD LYS 15 -15.368 -8.793 -7.051 53 HE2 LYS 15 2HE LYS 15 -17.307 -8.412 -6.035 54 HE3 LYS 15 1HE LYS 15 -16.876 -6.706 -5.961 55 HZ1 LYS 15 3HZ LYS 15 -18.215 -6.196 -7.708 56 HZ2 LYS 15 1HZ LYS 15 -19.075 -7.527 -7.115 57 HZ3 LYS 15 2HZ LYS 15 -18.051 -7.709 -8.448 58 H ALA 16 H ALA 16 -11.220 -8.574 -4.669 59 HA ALA 16 HA ALA 16 -9.321 -6.480 -4.812 60 HB1 ALA 16 1HB ALA 16 -8.114 -8.287 -3.188 61 HB2 ALA 16 2HB ALA 16 -9.796 -8.810 -3.084 62 HB3 ALA 16 3HB ALA 16 -9.359 -7.154 -2.665 63 H GLU 17 H GLU 17 -9.203 -9.899 -5.736 64 HA GLU 17 HA GLU 17 -6.462 -9.920 -6.461 65 HB2 GLU 17 2HB GLU 17 -8.758 -11.712 -7.255 66 HB3 GLU 17 1HB GLU 17 -7.086 -12.009 -7.718 67 HG2 GLU 17 2HG GLU 17 -6.436 -12.279 -5.429 68 HG3 GLU 17 1HG GLU 17 -8.035 -11.788 -4.872 69 H GLU 18 H GLU 18 -9.430 -9.212 -8.240 70 HA GLU 18 HA GLU 18 -8.293 -9.177 -10.825 71 HB2 GLU 18 2HB GLU 18 -10.785 -8.083 -9.596 72 HB3 GLU 18 1HB GLU 18 -10.316 -7.513 -11.192 73 HG2 GLU 18 2HG GLU 18 -10.429 -10.443 -10.645 74 HG3 GLU 18 1HG GLU 18 -11.915 -9.544 -10.944 75 H MET 19 H MET 19 -8.494 -6.750 -8.281 76 HA MET 19 HA MET 19 -7.721 -4.538 -9.882 77 HB2 MET 19 2HB MET 19 -8.734 -4.713 -7.417 78 HB3 MET 19 1HB MET 19 -7.034 -4.578 -6.987 79 HG2 MET 19 2HG MET 19 -7.190 -2.387 -7.201 80 HG3 MET 19 1HG MET 19 -7.503 -2.602 -8.921 81 HE1 MET 19 3HE MET 19 -10.473 -2.337 -9.877 82 HE2 MET 19 1HE MET 19 -8.945 -1.455 -9.893 83 HE3 MET 19 2HE MET 19 -10.407 -0.674 -9.293 84 H ILE 20 H ILE 20 -5.886 -6.777 -7.808 85 HA ILE 20 HA ILE 20 -3.387 -5.489 -8.282 86 HB ILE 20 HB ILE 20 -2.415 -7.561 -7.277 87 HG12 ILE 20 2HG1 ILE 20 -5.235 -8.359 -6.612 88 HG13 ILE 20 1HG1 ILE 20 -4.428 -8.980 -8.049 89 HG21 ILE 20 1HG2 ILE 20 -3.851 -7.150 -5.047 90 HG22 ILE 20 2HG2 ILE 20 -4.313 -5.725 -5.978 91 HG23 ILE 20 3HG2 ILE 20 -2.612 -6.039 -5.629 92 HD11 ILE 20 3HD1 ILE 20 -2.666 -9.919 -6.648 93 HD12 ILE 20 1HD1 ILE 20 -4.257 -10.543 -6.211 94 HD13 ILE 20 2HD1 ILE 20 -3.490 -9.309 -5.213 95 H LYS 21 H LYS 21 -5.294 -7.638 -10.127 96 HA LYS 21 HA LYS 21 -3.329 -9.160 -11.422 97 HB2 LYS 21 2HB LYS 21 -6.143 -8.407 -11.964 98 HB3 LYS 21 1HB LYS 21 -5.201 -8.927 -13.353 99 HG2 LYS 21 2HG LYS 21 -4.568 -10.890 -11.644 100 HG3 LYS 21 1HG LYS 21 -6.166 -10.469 -11.027 101 HD2 LYS 21 2HD LYS 21 -7.233 -11.118 -12.956 102 HD3 LYS 21 1HD LYS 21 -5.814 -10.826 -13.964 103 HE2 LYS 21 2HE LYS 21 -4.787 -12.797 -12.596 104 HE3 LYS 21 1HE LYS 21 -6.473 -13.183 -12.248 105 HZ1 LYS 21 3HZ LYS 21 -5.436 -12.813 -15.002 106 HZ2 LYS 21 1HZ LYS 21 -6.927 -13.465 -14.536 107 HZ3 LYS 21 2HZ LYS 21 -5.498 -14.319 -14.234 108 H SER 22 H SER 22 -5.059 -6.335 -12.768 109 HA SER 22 HA SER 22 -2.924 -5.903 -14.684 110 HB2 SER 22 2HB SER 22 -5.720 -5.140 -14.443 111 HB3 SER 22 1HB SER 22 -4.709 -3.767 -14.895 112 HG SER 22 HG SER 22 -4.578 -4.598 -16.810 113 H HIS 23 H HIS 23 -3.941 -4.651 -11.616 114 HA HIS 23 HA HIS 23 -1.856 -2.583 -11.818 115 HB2 HIS 23 2HB HIS 23 -4.613 -2.434 -10.659 116 HB3 HIS 23 1HB HIS 23 -3.334 -1.447 -9.962 117 HD1 HIS 23 1HD HIS 23 -5.801 -0.233 -11.422 118 HD2 HIS 23 2HD HIS 23 -2.093 -0.905 -13.172 119 HE1 HIS 23 1HE HIS 23 -5.679 1.354 -13.368 120 HE2 HIS 23 2HE HIS 23 -3.466 0.862 -14.468 121 HA PRO 24 HA PRO 24 -0.923 -5.631 -8.379 122 HB2 PRO 24 2HB PRO 24 1.688 -5.993 -9.074 123 HB3 PRO 24 1HB PRO 24 0.364 -6.974 -9.715 124 HG2 PRO 24 2HG PRO 24 1.760 -4.634 -10.957 125 HG3 PRO 24 1HG PRO 24 1.274 -6.170 -11.698 126 HD2 PRO 24 2HD PRO 24 -0.160 -3.909 -12.018 127 HD3 PRO 24 1HD PRO 24 -0.925 -5.509 -11.931 128 H TYR 25 H TYR 25 0.409 -2.639 -9.531 129 HA TYR 25 HA TYR 25 1.985 -2.232 -7.111 130 HB2 TYR 25 2HB TYR 25 1.779 -0.890 -9.765 131 HB3 TYR 25 1HB TYR 25 2.275 0.092 -8.395 132 HD1 TYR 25 1HD TYR 25 4.177 -1.103 -6.897 133 HD2 TYR 25 2HD TYR 25 3.451 -1.845 -11.025 134 HE1 TYR 25 1HE TYR 25 6.488 -1.902 -7.156 135 HE2 TYR 25 2HE TYR 25 5.758 -2.646 -11.293 136 HH TYR 25 HH TYR 25 7.552 -3.659 -9.752 137 H PHE 26 H PHE 26 -0.047 -2.333 -5.823 138 HA PHE 26 HA PHE 26 -1.488 0.230 -5.870 139 HB2 PHE 26 2HB PHE 26 -2.489 -2.393 -5.882 140 HB3 PHE 26 1HB PHE 26 -2.779 -1.789 -4.255 141 HD1 PHE 26 1HD PHE 26 -3.112 -0.635 -7.792 142 HD2 PHE 26 2HD PHE 26 -4.760 -0.700 -3.867 143 HE1 PHE 26 1HE PHE 26 -5.086 0.590 -8.604 144 HE2 PHE 26 2HE PHE 26 -6.735 0.524 -4.674 145 HZ PHE 26 HZ PHE 26 -6.900 1.170 -7.044 146 H GLN 27 H GLN 27 -1.650 1.445 -4.035 147 HA GLN 27 HA GLN 27 -0.429 0.392 -1.579 148 HB2 GLN 27 2HB GLN 27 0.899 2.164 -3.161 149 HB3 GLN 27 1HB GLN 27 0.025 3.259 -2.099 150 HG2 GLN 27 2HG GLN 27 1.017 1.467 -0.317 151 HG3 GLN 27 1HG GLN 27 2.286 1.487 -1.540 152 HE21 GLN 27 1HE2 GLN 27 3.796 2.531 -0.308 153 HE22 GLN 27 2HE2 GLN 27 3.642 4.177 0.191 154 H LEU 28 H LEU 28 -2.205 0.220 -0.342 155 HA LEU 28 HA LEU 28 -4.217 2.319 -0.359 156 HB2 LEU 28 2HB LEU 28 -4.114 -0.229 1.258 157 HB3 LEU 28 1HB LEU 28 -5.489 0.847 1.110 158 HG LEU 28 HG LEU 28 -5.082 0.288 -1.493 159 HD11 LEU 28 1HD1 LEU 28 -3.475 -1.290 -1.602 160 HD12 LEU 28 2HD1 LEU 28 -4.825 -2.368 -1.249 161 HD13 LEU 28 3HD1 LEU 28 -3.751 -1.847 0.050 162 HD21 LEU 28 3HD2 LEU 28 -6.724 -1.742 -0.881 163 HD22 LEU 28 1HD2 LEU 28 -7.227 -0.053 -0.877 164 HD23 LEU 28 2HD2 LEU 28 -6.784 -0.844 0.636 165 H SER 29 H SER 29 -3.888 4.067 0.827 166 HA SER 29 HA SER 29 -3.358 3.872 3.634 167 HB2 SER 29 2HB SER 29 -1.285 5.168 3.663 168 HB3 SER 29 1HB SER 29 -1.060 3.688 2.732 169 HG SER 29 HG SER 29 -1.163 4.868 0.852 170 H ALA 30 H ALA 30 -2.838 6.324 4.414 171 HA ALA 30 HA ALA 30 -3.597 8.444 4.664 172 HB1 ALA 30 1HB ALA 30 -3.107 8.357 2.044 173 HB2 ALA 30 2HB ALA 30 -3.808 9.762 2.848 174 HB3 ALA 30 3HB ALA 30 -4.852 8.622 1.997 175 H SER 31 H SER 31 -5.223 8.802 5.945 176 HA SER 31 HA SER 31 -7.924 8.840 5.207 177 HB2 SER 31 2HB SER 31 -7.886 6.426 5.186 178 HB3 SER 31 1HB SER 31 -7.061 6.374 6.742 179 HG SER 31 HG SER 31 -9.134 6.058 7.280 180 H TRP 32 H TRP 32 -5.769 8.113 7.923 181 HA TRP 32 HA TRP 32 -6.433 10.519 9.294 182 HB2 TRP 32 2HB TRP 32 -7.304 9.228 11.363 183 HB3 TRP 32 1HB TRP 32 -8.421 9.526 10.039 184 HD1 TRP 32 HD TRP 32 -5.925 6.697 9.579 185 HE1 TRP 32 1HE TRP 32 -7.166 4.447 9.688 186 HE3 TRP 32 3HE TRP 32 -10.496 8.359 11.165 187 HZ2 TRP 32 2HZ TRP 32 -9.737 3.498 10.360 188 HZ3 TRP 32 3HZ TRP 32 -12.291 6.711 11.517 189 HH2 TRP 32 HH TRP 32 -11.917 4.332 11.122 190 H CYS 33 H CYS 33 -4.032 9.156 8.393 191 HA CYS 33 HA CYS 33 -2.681 8.931 10.997 192 HB2 CYS 33 2HB CYS 33 -2.742 6.935 8.797 193 HB3 CYS 33 1HB CYS 33 -1.202 7.180 9.613 194 HG CYS 33 HG CYS 33 -2.233 6.321 11.796 195 HA PRO 34 HA PRO 34 0.066 11.855 9.085 196 HB2 PRO 34 2HB PRO 34 2.027 11.822 10.953 197 HB3 PRO 34 1HB PRO 34 0.477 12.629 11.212 198 HG2 PRO 34 2HG PRO 34 1.406 9.953 12.174 199 HG3 PRO 34 1HG PRO 34 0.476 11.191 13.034 200 HD2 PRO 34 2HD PRO 34 -0.657 8.981 11.919 201 HD3 PRO 34 1HD PRO 34 -1.512 10.526 12.100 202 H ASP 35 H ASP 35 1.217 8.697 10.196 203 HA ASP 35 HA ASP 35 3.736 8.689 8.986 204 HB2 ASP 35 2HB ASP 35 1.834 6.427 9.625 205 HB3 ASP 35 1HB ASP 35 3.461 6.165 9.005 206 H CYS 36 H CYS 36 0.552 8.006 7.674 207 HA CYS 36 HA CYS 36 1.365 6.857 5.227 208 HB2 CYS 36 2HB CYS 36 -1.150 8.454 5.742 209 HB3 CYS 36 1HB CYS 36 -0.903 7.245 4.487 210 HG CYS 36 HG CYS 36 -0.545 5.831 7.041 211 H VAL 37 H VAL 37 0.782 10.201 6.223 212 HA VAL 37 HA VAL 37 0.922 11.434 3.719 213 HB VAL 37 HB VAL 37 1.944 12.635 6.296 214 HG11 VAL 37 1HG1 VAL 37 1.294 14.754 5.271 215 HG12 VAL 37 2HG1 VAL 37 0.756 13.899 3.825 216 HG13 VAL 37 3HG1 VAL 37 2.464 13.900 4.267 217 HG21 VAL 37 3HG2 VAL 37 -0.142 12.131 7.031 218 HG22 VAL 37 1HG2 VAL 37 -0.803 11.990 5.402 219 HG23 VAL 37 2HG2 VAL 37 -0.562 13.581 6.119 220 H TYR 38 H TYR 38 3.483 10.376 5.905 221 HA TYR 38 HA TYR 38 5.670 11.663 4.734 222 HB2 TYR 38 2HB TYR 38 5.792 10.467 6.875 223 HB3 TYR 38 1HB TYR 38 5.556 8.937 6.043 224 HD1 TYR 38 1HD TYR 38 7.906 11.776 6.441 225 HD2 TYR 38 2HD TYR 38 7.386 7.770 5.102 226 HE1 TYR 38 1HE TYR 38 10.340 11.548 6.198 227 HE2 TYR 38 2HE TYR 38 9.821 7.531 4.855 228 HH TYR 38 HH TYR 38 11.885 9.870 4.597 229 H ALA 39 H ALA 39 4.188 8.523 3.968 230 HA ALA 39 HA ALA 39 6.009 7.730 1.981 231 HB1 ALA 39 1HB ALA 39 3.148 6.948 1.737 232 HB2 ALA 39 2HB ALA 39 4.042 6.443 3.174 233 HB3 ALA 39 3HB ALA 39 4.605 5.970 1.571 234 H ASN 40 H ASN 40 3.078 9.711 1.798 235 HA ASN 40 HA ASN 40 3.095 9.871 -1.061 236 HB2 ASN 40 2HB ASN 40 1.478 10.996 1.140 237 HB3 ASN 40 1HB ASN 40 1.598 12.008 -0.297 238 HD21 ASN 40 1HD2 ASN 40 -0.294 11.781 -1.283 239 HD22 ASN 40 2HD2 ASN 40 -1.015 10.276 -1.727 240 H SER 41 H SER 41 4.440 11.740 1.575 241 HA SER 41 HA SER 41 5.026 14.095 0.178 242 HB2 SER 41 2HB SER 41 5.926 12.835 2.702 243 HB3 SER 41 1HB SER 41 7.022 14.028 2.002 244 HG SER 41 HG SER 41 5.737 15.413 2.923 245 H ILE 42 H ILE 42 7.023 11.206 0.774 246 HA ILE 42 HA ILE 42 9.272 12.126 -0.672 247 HB ILE 42 HB ILE 42 8.500 9.247 -0.179 248 HG12 ILE 42 2HG1 ILE 42 8.528 10.555 1.922 249 HG13 ILE 42 1HG1 ILE 42 9.831 9.377 1.860 250 HG21 ILE 42 1HG2 ILE 42 10.952 10.620 -1.141 251 HG22 ILE 42 2HG2 ILE 42 10.256 9.074 -1.624 252 HG23 ILE 42 3HG2 ILE 42 11.144 9.206 -0.106 253 HD11 ILE 42 3HD1 ILE 42 10.233 12.253 1.108 254 HD12 ILE 42 1HD1 ILE 42 11.451 11.036 1.494 255 HD13 ILE 42 2HD1 ILE 42 10.400 11.666 2.763 256 H TRP 43 H TRP 43 6.471 10.158 -1.607 257 HA TRP 43 HA TRP 43 7.409 9.547 -4.213 258 HB2 TRP 43 2HB TRP 43 4.974 9.119 -2.674 259 HB3 TRP 43 1HB TRP 43 4.632 9.476 -4.363 260 HD1 TRP 43 HD TRP 43 4.476 7.353 -5.780 261 HE1 TRP 43 1HE TRP 43 5.555 5.019 -5.742 262 HE3 TRP 43 3HE TRP 43 7.499 7.922 -1.697 263 HZ2 TRP 43 2HZ TRP 43 7.439 3.604 -4.185 264 HZ3 TRP 43 3HZ TRP 43 8.909 6.031 -1.000 265 HH2 TRP 43 HH TRP 43 8.877 3.916 -2.219 266 H ASN 44 H ASN 44 5.561 12.228 -2.885 267 HA ASN 44 HA ASN 44 4.807 13.340 -5.404 268 HB2 ASN 44 2HB ASN 44 4.645 14.170 -2.558 269 HB3 ASN 44 1HB ASN 44 4.600 15.452 -3.761 270 HD21 ASN 44 1HD2 ASN 44 2.689 13.627 -1.921 271 HD22 ASN 44 2HD2 ASN 44 1.285 13.527 -2.920 272 H LYS 45 H LYS 45 7.568 13.733 -3.259 273 HA LYS 45 HA LYS 45 8.580 16.016 -4.712 274 HB2 LYS 45 2HB LYS 45 8.890 15.502 -2.194 275 HB3 LYS 45 1HB LYS 45 10.161 14.407 -2.724 276 HG2 LYS 45 2HG LYS 45 10.735 16.748 -4.067 277 HG3 LYS 45 1HG LYS 45 10.165 17.304 -2.493 278 HD2 LYS 45 2HD LYS 45 12.156 15.079 -2.637 279 HD3 LYS 45 1HD LYS 45 12.694 16.742 -2.863 280 HE2 LYS 45 2HE LYS 45 10.948 16.600 -0.595 281 HE3 LYS 45 1HE LYS 45 12.214 15.383 -0.439 282 HZ1 LYS 45 3HZ LYS 45 13.821 16.945 -0.243 283 HZ2 LYS 45 1HZ LYS 45 12.538 17.876 0.346 284 HZ3 LYS 45 2HZ LYS 45 13.050 18.059 -1.256 285 H LEU 46 H LEU 46 9.202 12.547 -4.529 286 HA LEU 46 HA LEU 46 11.508 12.697 -6.246 287 HB2 LEU 46 2HB LEU 46 9.965 10.478 -4.970 288 HB3 LEU 46 1HB LEU 46 11.071 10.114 -6.279 289 HG LEU 46 HG LEU 46 11.789 11.387 -3.637 290 HD11 LEU 46 1HD1 LEU 46 11.671 9.203 -3.060 291 HD12 LEU 46 2HD1 LEU 46 13.274 9.166 -3.793 292 HD13 LEU 46 3HD1 LEU 46 11.868 8.638 -4.717 293 HD21 LEU 46 3HD2 LEU 46 14.154 10.768 -4.698 294 HD22 LEU 46 1HD2 LEU 46 13.394 12.341 -4.937 295 HD23 LEU 46 2HD2 LEU 46 13.275 11.104 -6.188 296 H ASN 47 H ASN 47 8.202 12.852 -6.833 297 HA ASN 47 HA ASN 47 6.891 12.639 -8.665 298 HB2 ASN 47 2HB ASN 47 8.573 14.202 -9.570 299 HB3 ASN 47 1HB ASN 47 9.538 12.836 -10.113 300 HD21 ASN 47 1HD2 ASN 47 6.057 13.573 -10.295 301 HD22 ASN 47 2HD2 ASN 47 5.944 13.396 -12.010 302 H VAL 48 H VAL 48 7.299 10.272 -7.447 303 HA VAL 48 HA VAL 48 7.645 8.381 -9.681 304 HB VAL 48 HB VAL 48 8.236 6.659 -7.974 305 HG11 VAL 48 1HG1 VAL 48 10.214 8.880 -7.717 306 HG12 VAL 48 2HG1 VAL 48 9.869 8.194 -9.304 307 HG13 VAL 48 3HG1 VAL 48 10.483 7.163 -8.013 308 HG21 VAL 48 3HG2 VAL 48 8.475 7.084 -5.753 309 HG22 VAL 48 1HG2 VAL 48 7.226 8.273 -6.119 310 HG23 VAL 48 2HG2 VAL 48 8.913 8.773 -6.007 311 H GLN 49 H GLN 49 5.222 9.831 -8.657 312 HA GLN 49 HA GLN 49 3.592 7.587 -7.714 313 HB2 GLN 49 2HB GLN 49 3.632 10.310 -7.039 314 HB3 GLN 49 1HB GLN 49 2.166 10.096 -7.985 315 HG2 GLN 49 2HG GLN 49 1.613 8.159 -6.472 316 HG3 GLN 49 1HG GLN 49 2.947 8.692 -5.451 317 HE21 GLN 49 1HE2 GLN 49 2.824 10.823 -4.529 318 HE22 GLN 49 2HE2 GLN 49 1.282 11.530 -4.205 319 H ASP 50 H ASP 50 4.616 8.087 -10.536 320 HA ASP 50 HA ASP 50 2.043 8.268 -11.945 321 HB2 ASP 50 2HB ASP 50 3.448 8.583 -13.995 322 HB3 ASP 50 1HB ASP 50 3.634 9.855 -12.796 323 H LYS 51 H LYS 51 4.997 6.306 -11.713 324 HA LYS 51 HA LYS 51 3.994 4.269 -13.469 325 HB2 LYS 51 2HB LYS 51 6.348 4.287 -11.571 326 HB3 LYS 51 1HB LYS 51 5.993 2.984 -12.696 327 HG2 LYS 51 2HG LYS 51 6.424 4.362 -14.574 328 HG3 LYS 51 1HG LYS 51 6.451 5.819 -13.581 329 HD2 LYS 51 2HD LYS 51 8.389 4.377 -12.376 330 HD3 LYS 51 1HD LYS 51 8.543 3.789 -14.032 331 HE2 LYS 51 2HE LYS 51 8.248 6.669 -13.948 332 HE3 LYS 51 1HE LYS 51 9.617 6.132 -12.975 333 HZ1 LYS 51 3HZ LYS 51 10.604 6.308 -15.001 334 HZ2 LYS 51 1HZ LYS 51 9.200 5.938 -15.868 335 HZ3 LYS 51 2HZ LYS 51 10.082 4.705 -15.117 336 H VAL 52 H VAL 52 3.681 4.985 -10.109 337 HA VAL 52 HA VAL 52 2.667 2.284 -9.538 338 HB VAL 52 HB VAL 52 3.374 4.454 -7.555 339 HG11 VAL 52 1HG1 VAL 52 1.844 2.948 -6.565 340 HG12 VAL 52 2HG1 VAL 52 3.441 2.487 -5.980 341 HG13 VAL 52 3HG1 VAL 52 2.667 1.546 -7.254 342 HG21 VAL 52 3HG2 VAL 52 5.050 2.443 -8.918 343 HG22 VAL 52 1HG2 VAL 52 5.279 2.592 -7.175 344 HG23 VAL 52 2HG2 VAL 52 5.487 4.000 -8.215 345 H PHE 53 H PHE 53 0.667 2.108 -8.292 346 HA PHE 53 HA PHE 53 -1.130 4.387 -8.735 347 HB2 PHE 53 2HB PHE 53 -1.520 2.144 -9.988 348 HB3 PHE 53 1HB PHE 53 -2.086 1.551 -8.431 349 HD1 PHE 53 1HD PHE 53 -3.863 3.167 -7.257 350 HD2 PHE 53 2HD PHE 53 -3.081 2.998 -11.440 351 HE1 PHE 53 1HE PHE 53 -6.092 4.108 -7.711 352 HE2 PHE 53 2HE PHE 53 -5.308 3.938 -11.897 353 HZ PHE 53 HZ PHE 53 -6.816 4.494 -10.032 354 H VAL 54 H VAL 54 -1.438 5.402 -6.934 355 HA VAL 54 HA VAL 54 -1.665 3.916 -4.403 356 HB VAL 54 HB VAL 54 -1.160 6.879 -4.709 357 HG11 VAL 54 1HG1 VAL 54 -1.482 5.043 -2.428 358 HG12 VAL 54 2HG1 VAL 54 -1.795 6.773 -2.549 359 HG13 VAL 54 3HG1 VAL 54 -0.150 6.191 -2.303 360 HG21 VAL 54 3HG2 VAL 54 0.845 6.209 -5.506 361 HG22 VAL 54 1HG2 VAL 54 0.700 4.589 -4.822 362 HG23 VAL 54 2HG2 VAL 54 1.188 5.938 -3.797 363 H PHE 55 H PHE 55 -3.517 3.980 -3.255 364 HA PHE 55 HA PHE 55 -5.627 5.838 -4.136 365 HB2 PHE 55 2HB PHE 55 -5.903 3.358 -4.805 366 HB3 PHE 55 1HB PHE 55 -6.232 3.080 -3.098 367 HD1 PHE 55 2HD PHE 55 -7.407 4.825 -6.127 368 HD2 PHE 55 1HD PHE 55 -8.310 3.674 -2.129 369 HE1 PHE 55 2HE PHE 55 -9.755 5.476 -6.473 370 HE2 PHE 55 1HE PHE 55 -10.659 4.323 -2.470 371 HZ PHE 55 HZ PHE 55 -11.385 5.224 -4.644 372 H ASP 56 H ASP 56 -6.730 6.903 -2.576 373 HA ASP 56 HA ASP 56 -5.838 6.501 0.183 374 HB2 ASP 56 2HB ASP 56 -6.845 8.722 0.612 375 HB3 ASP 56 1HB ASP 56 -5.628 8.769 -0.657 376 H ILE 57 H ILE 57 -7.104 5.617 1.689 377 HA ILE 57 HA ILE 57 -9.850 4.940 0.948 378 HB ILE 57 HB ILE 57 -9.813 3.501 2.994 379 HG12 ILE 57 2HG1 ILE 57 -6.898 3.450 3.172 380 HG13 ILE 57 1HG1 ILE 57 -7.571 4.996 3.676 381 HG21 ILE 57 1HG2 ILE 57 -8.951 2.990 0.514 382 HG22 ILE 57 2HG2 ILE 57 -8.981 1.777 1.795 383 HG23 ILE 57 3HG2 ILE 57 -7.480 2.622 1.415 384 HD11 ILE 57 3HD1 ILE 57 -8.014 4.109 5.648 385 HD12 ILE 57 1HD1 ILE 57 -7.467 2.527 5.094 386 HD13 ILE 57 2HD1 ILE 57 -9.151 3.004 4.875 387 H GLY 58 H GLY 58 -10.423 7.277 1.197 388 HA2 GLY 58 2HA GLY 58 -11.040 7.887 4.026 389 HA3 GLY 58 1HA GLY 58 -10.644 9.120 2.844 390 H SER 59 H SER 59 -12.734 6.400 2.070 391 HA SER 59 HA SER 59 -15.044 8.231 2.092 392 HB2 SER 59 2HB SER 59 -14.015 6.489 -0.074 393 HB3 SER 59 1HB SER 59 -15.764 6.506 0.147 394 HG SER 59 HG SER 59 -15.785 8.687 -0.226 395 H LEU 60 H LEU 60 -14.044 4.834 2.187 396 HA LEU 60 HA LEU 60 -16.462 3.664 2.799 397 HB2 LEU 60 2HB LEU 60 -15.263 1.773 3.605 398 HB3 LEU 60 1HB LEU 60 -14.406 2.434 2.234 399 HG LEU 60 HG LEU 60 -12.694 1.860 3.673 400 HD11 LEU 60 1HD1 LEU 60 -12.290 4.113 3.001 401 HD12 LEU 60 2HD1 LEU 60 -11.781 3.933 4.678 402 HD13 LEU 60 3HD1 LEU 60 -13.302 4.740 4.304 403 HD21 LEU 60 3HD2 LEU 60 -13.375 3.047 6.186 404 HD22 LEU 60 1HD2 LEU 60 -13.023 1.364 5.800 405 HD23 LEU 60 2HD2 LEU 60 -14.672 1.973 5.657 406 HA PRO 61 HA PRO 61 -17.377 5.408 6.801 407 HB2 PRO 61 2HB PRO 61 -19.611 3.508 6.829 408 HB3 PRO 61 1HB PRO 61 -19.651 5.272 6.789 409 HG2 PRO 61 2HG PRO 61 -20.380 3.771 4.673 410 HG3 PRO 61 1HG PRO 61 -19.595 5.350 4.484 411 HD2 PRO 61 2HD PRO 61 -18.409 2.604 4.288 412 HD3 PRO 61 1HD PRO 61 -18.146 4.020 3.247 413 H ARG 62 H ARG 62 -18.424 4.171 8.910 414 HA ARG 62 HA ARG 62 -16.320 2.509 9.836 415 HB2 ARG 62 2HB ARG 62 -18.990 3.243 11.031 416 HB3 ARG 62 1HB ARG 62 -17.833 2.208 11.857 417 HG2 ARG 62 2HG ARG 62 -16.229 4.272 11.262 418 HG3 ARG 62 1HG ARG 62 -17.773 5.119 11.378 419 HD2 ARG 62 2HD ARG 62 -17.774 3.442 13.579 420 HD3 ARG 62 1HD ARG 62 -16.101 3.987 13.470 421 HE ARG 62 HE ARG 62 -17.490 6.283 13.215 422 HH11 ARG 62 1HH1 ARG 62 -17.615 3.696 15.576 423 HH12 ARG 62 2HH1 ARG 62 -18.140 4.730 16.861 424 HH21 ARG 62 1HH2 ARG 62 -18.177 7.638 14.922 425 HH22 ARG 62 2HH2 ARG 62 -18.458 6.963 16.490 426 H ASN 63 H ASN 63 -19.480 1.838 8.475 427 HA ASN 63 HA ASN 63 -19.574 -0.901 9.282 428 HB2 ASN 63 2HB ASN 63 -21.434 0.816 8.303 429 HB3 ASN 63 1HB ASN 63 -21.077 -0.124 6.858 430 HD21 ASN 63 1HD2 ASN 63 -23.233 -0.935 6.964 431 HD22 ASN 63 2HD2 ASN 63 -23.637 -2.205 8.065 432 H GLU 64 H GLU 64 -18.699 0.732 6.229 433 HA GLU 64 HA GLU 64 -18.159 -1.606 4.758 434 HB2 GLU 64 2HB GLU 64 -18.461 0.692 3.811 435 HB3 GLU 64 1HB GLU 64 -16.857 1.099 4.404 436 HG2 GLU 64 2HG GLU 64 -16.641 0.587 2.109 437 HG3 GLU 64 1HG GLU 64 -15.967 -0.776 2.999 438 H GLN 65 H GLN 65 -16.185 0.279 6.976 439 HA GLN 65 HA GLN 65 -13.654 -0.711 6.376 440 HB2 GLN 65 2HB GLN 65 -14.335 1.152 8.007 441 HB3 GLN 65 1HB GLN 65 -14.558 -0.130 9.189 442 HG2 GLN 65 2HG GLN 65 -12.310 -0.602 9.304 443 HG3 GLN 65 1HG GLN 65 -11.979 0.068 7.707 444 HE21 GLN 65 1HE2 GLN 65 -11.857 0.611 11.012 445 HE22 GLN 65 2HE2 GLN 65 -11.529 2.305 10.985 446 H GLU 66 H GLU 66 -16.270 -2.183 8.206 447 HA GLU 66 HA GLU 66 -14.860 -4.187 9.539 448 HB2 GLU 66 2HB GLU 66 -17.217 -3.690 9.988 449 HB3 GLU 66 1HB GLU 66 -17.659 -4.296 8.399 450 HG2 GLU 66 2HG GLU 66 -17.596 -6.435 9.052 451 HG3 GLU 66 1HG GLU 66 -16.153 -6.198 10.038 452 H LYS 67 H LYS 67 -16.495 -4.369 6.369 453 HA LYS 67 HA LYS 67 -15.659 -6.978 5.743 454 HB2 LYS 67 2HB LYS 67 -16.379 -4.686 3.903 455 HB3 LYS 67 1HB LYS 67 -16.192 -6.359 3.390 456 HG2 LYS 67 2HG LYS 67 -18.073 -7.051 4.665 457 HG3 LYS 67 1HG LYS 67 -18.168 -5.491 5.483 458 HD2 LYS 67 2HD LYS 67 -19.234 -4.502 3.754 459 HD3 LYS 67 1HD LYS 67 -18.313 -5.395 2.543 460 HE2 LYS 67 2HE LYS 67 -20.618 -6.066 2.413 461 HE3 LYS 67 1HE LYS 67 -19.668 -7.405 3.059 462 HZ1 LYS 67 3HZ LYS 67 -21.370 -5.535 4.622 463 HZ2 LYS 67 1HZ LYS 67 -20.388 -6.736 5.300 464 HZ3 LYS 67 2HZ LYS 67 -21.690 -7.166 4.309 465 H TRP 68 H TRP 68 -14.189 -3.823 5.113 466 HA TRP 68 HA TRP 68 -12.075 -4.703 3.482 467 HB2 TRP 68 2HB TRP 68 -12.939 -2.277 4.167 468 HB3 TRP 68 1HB TRP 68 -11.634 -2.413 5.339 469 HD1 TRP 68 HD TRP 68 -9.211 -2.006 4.481 470 HE1 TRP 68 1HE TRP 68 -8.187 -1.418 2.195 471 HE3 TRP 68 3HE TRP 68 -13.322 -2.756 1.530 472 HZ2 TRP 68 2HZ TRP 68 -9.012 -1.290 -0.502 473 HZ3 TRP 68 3HZ TRP 68 -13.118 -2.377 -0.893 474 HH2 TRP 68 HH TRP 68 -11.006 -1.659 -1.887 475 H ARG 69 H ARG 69 -12.430 -4.543 6.995 476 HA ARG 69 HA ARG 69 -9.753 -4.965 7.715 477 HB2 ARG 69 2HB ARG 69 -12.383 -5.276 9.041 478 HB3 ARG 69 1HB ARG 69 -11.057 -6.195 9.738 479 HG2 ARG 69 2HG ARG 69 -9.863 -3.807 9.510 480 HG3 ARG 69 1HG ARG 69 -11.539 -3.285 9.699 481 HD2 ARG 69 2HD ARG 69 -10.147 -5.217 11.548 482 HD3 ARG 69 1HD ARG 69 -10.265 -3.484 11.842 483 HE ARG 69 HE ARG 69 -12.841 -4.206 11.492 484 HH11 ARG 69 1HH1 ARG 69 -10.292 -5.471 13.536 485 HH12 ARG 69 2HH1 ARG 69 -11.380 -6.008 14.769 486 HH21 ARG 69 1HH2 ARG 69 -14.270 -4.919 13.124 487 HH22 ARG 69 2HH2 ARG 69 -13.635 -5.697 14.535 488 H ILE 70 H ILE 70 -12.391 -7.361 7.428 489 HA ILE 70 HA ILE 70 -10.673 -9.590 7.835 490 HB ILE 70 HB ILE 70 -13.386 -9.609 6.501 491 HG12 ILE 70 2HG1 ILE 70 -13.122 -10.368 9.350 492 HG13 ILE 70 1HG1 ILE 70 -12.917 -8.654 9.007 493 HG21 ILE 70 1HG2 ILE 70 -11.579 -11.713 7.608 494 HG22 ILE 70 2HG2 ILE 70 -12.523 -11.709 6.119 495 HG23 ILE 70 3HG2 ILE 70 -13.327 -11.946 7.670 496 HD11 ILE 70 3HD1 ILE 70 -15.280 -9.795 9.514 497 HD12 ILE 70 1HD1 ILE 70 -15.246 -9.958 7.758 498 HD13 ILE 70 2HD1 ILE 70 -15.090 -8.365 8.499 499 H ALA 71 H ALA 71 -11.941 -7.981 4.949 500 HA ALA 71 HA ALA 71 -11.116 -9.818 3.018 501 HB1 ALA 71 1HB ALA 71 -12.592 -7.854 2.611 502 HB2 ALA 71 2HB ALA 71 -11.306 -8.039 1.419 503 HB3 ALA 71 3HB ALA 71 -11.164 -6.821 2.689 504 H PHE 72 H PHE 72 -9.367 -7.049 4.415 505 HA PHE 72 HA PHE 72 -7.026 -7.334 2.871 506 HB2 PHE 72 2HB PHE 72 -7.903 -5.730 5.118 507 HB3 PHE 72 1HB PHE 72 -6.236 -6.253 5.332 508 HD1 PHE 72 2HD PHE 72 -8.082 -5.365 2.221 509 HD2 PHE 72 1HD PHE 72 -4.934 -4.388 4.915 510 HE1 PHE 72 2HE PHE 72 -7.324 -3.595 0.690 511 HE2 PHE 72 1HE PHE 72 -4.176 -2.618 3.387 512 HZ PHE 72 HZ PHE 72 -5.367 -2.220 1.274 513 H GLN 73 H GLN 73 -7.854 -8.574 6.114 514 HA GLN 73 HA GLN 73 -5.377 -9.812 6.618 515 HB2 GLN 73 2HB GLN 73 -7.671 -9.441 8.058 516 HB3 GLN 73 1HB GLN 73 -7.727 -11.172 7.746 517 HG2 GLN 73 2HG GLN 73 -5.086 -10.469 8.557 518 HG3 GLN 73 1HG GLN 73 -6.238 -9.783 9.699 519 HE21 GLN 73 1HE2 GLN 73 -5.853 -11.132 11.391 520 HE22 GLN 73 2HE2 GLN 73 -6.173 -12.830 11.361 521 H LYS 74 H LYS 74 -8.085 -10.800 4.660 522 HA LYS 74 HA LYS 74 -7.273 -13.563 4.520 523 HB2 LYS 74 2HB LYS 74 -9.626 -12.199 4.039 524 HB3 LYS 74 1HB LYS 74 -9.074 -12.613 2.426 525 HG2 LYS 74 2HG LYS 74 -8.846 -14.989 3.220 526 HG3 LYS 74 1HG LYS 74 -9.661 -14.488 4.703 527 HD2 LYS 74 2HD LYS 74 -11.565 -13.685 3.300 528 HD3 LYS 74 1HD LYS 74 -10.760 -14.381 1.893 529 HE2 LYS 74 2HE LYS 74 -12.223 -16.065 2.498 530 HE3 LYS 74 1HE LYS 74 -10.734 -16.562 3.300 531 HZ1 LYS 74 3HZ LYS 74 -12.130 -16.754 5.046 532 HZ2 LYS 74 1HZ LYS 74 -13.240 -15.627 4.449 533 HZ3 LYS 74 2HZ LYS 74 -11.830 -15.099 5.219 534 H VAL 75 H VAL 75 -6.785 -10.633 2.651 535 HA VAL 75 HA VAL 75 -5.685 -12.047 0.384 536 HB VAL 75 HB VAL 75 -5.642 -9.075 0.939 537 HG11 VAL 75 1HG1 VAL 75 -4.764 -10.772 -1.322 538 HG12 VAL 75 2HG1 VAL 75 -4.129 -9.231 -0.746 539 HG13 VAL 75 3HG1 VAL 75 -5.594 -9.269 -1.727 540 HG21 VAL 75 3HG2 VAL 75 -7.496 -10.083 -1.088 541 HG22 VAL 75 1HG2 VAL 75 -7.741 -8.878 0.176 542 HG23 VAL 75 2HG2 VAL 75 -7.885 -10.593 0.553 543 H VAL 76 H VAL 76 -4.422 -9.914 2.953 544 HA VAL 76 HA VAL 76 -1.740 -10.926 2.294 545 HB VAL 76 HB VAL 76 -0.899 -8.799 3.432 546 HG11 VAL 76 1HG1 VAL 76 -0.803 -9.266 1.007 547 HG12 VAL 76 2HG1 VAL 76 -0.990 -7.551 1.373 548 HG13 VAL 76 3HG1 VAL 76 -2.377 -8.491 0.823 549 HG21 VAL 76 3HG2 VAL 76 -3.700 -7.859 2.812 550 HG22 VAL 76 1HG2 VAL 76 -2.373 -6.883 3.440 551 HG23 VAL 76 2HG2 VAL 76 -3.072 -8.162 4.432 552 H GLY 77 H GLY 77 -3.905 -10.020 4.948 553 HA2 GLY 77 2HA GLY 77 -4.021 -11.196 6.996 554 HA3 GLY 77 1HA GLY 77 -2.423 -11.851 6.683 555 H SER 78 H SER 78 -3.236 -8.429 6.448 556 HA SER 78 HA SER 78 -2.010 -7.874 9.027 557 HB2 SER 78 2HB SER 78 -0.321 -7.906 6.953 558 HB3 SER 78 1HB SER 78 -0.949 -6.271 6.748 559 HG SER 78 HG SER 78 0.910 -6.375 8.117 560 H ARG 79 H ARG 79 -3.551 -6.672 9.958 561 HA ARG 79 HA ARG 79 -5.040 -4.741 8.332 562 HB2 ARG 79 2HB ARG 79 -6.029 -6.535 10.042 563 HB3 ARG 79 1HB ARG 79 -5.733 -5.233 11.189 564 HG2 ARG 79 2HG ARG 79 -7.161 -4.560 8.679 565 HG3 ARG 79 1HG ARG 79 -8.031 -5.489 9.899 566 HD2 ARG 79 2HD ARG 79 -8.502 -3.511 10.832 567 HD3 ARG 79 1HD ARG 79 -6.830 -3.521 11.387 568 HE ARG 79 HE ARG 79 -7.070 -2.440 8.759 569 HH11 ARG 79 1HH1 ARG 79 -7.499 -1.659 12.147 570 HH12 ARG 79 2HH1 ARG 79 -7.236 0.035 11.915 571 HH21 ARG 79 1HH2 ARG 79 -6.716 -0.205 8.464 572 HH22 ARG 79 2HH2 ARG 79 -6.791 0.859 9.828 573 H ASN 80 H ASN 80 -2.405 -4.066 8.837 574 HA ASN 80 HA ASN 80 -2.678 -1.871 10.790 575 HB2 ASN 80 2HB ASN 80 -0.991 -3.741 11.313 576 HB3 ASN 80 1HB ASN 80 -0.044 -3.091 9.977 577 HD21 ASN 80 1HD2 ASN 80 0.496 -0.758 10.117 578 HD22 ASN 80 2HD2 ASN 80 0.836 -0.100 11.677 579 H LEU 81 H LEU 81 -2.453 0.135 10.022 580 HA LEU 81 HA LEU 81 -1.703 0.465 7.214 581 HB2 LEU 81 2HB LEU 81 -3.087 2.284 9.179 582 HB3 LEU 81 1HB LEU 81 -2.608 2.799 7.573 583 HG LEU 81 HG LEU 81 -4.541 0.555 8.168 584 HD11 LEU 81 1HD1 LEU 81 -6.025 2.379 6.920 585 HD12 LEU 81 2HD1 LEU 81 -4.880 3.462 7.710 586 HD13 LEU 81 3HD1 LEU 81 -5.844 2.343 8.674 587 HD21 LEU 81 3HD2 LEU 81 -3.632 1.820 5.587 588 HD22 LEU 81 1HD2 LEU 81 -5.028 0.753 5.729 589 HD23 LEU 81 2HD2 LEU 81 -3.412 0.146 6.096 590 HA PRO 82 HA PRO 82 -1.195 2.278 5.905 591 HB2 PRO 82 2HB PRO 82 1.415 2.373 4.628 592 HB3 PRO 82 1HB PRO 82 0.154 3.606 4.668 593 HG2 PRO 82 2HG PRO 82 2.529 3.870 5.964 594 HG3 PRO 82 1HG PRO 82 1.026 4.623 6.529 595 HD2 PRO 82 2HD PRO 82 2.369 2.122 7.488 596 HD3 PRO 82 1HD PRO 82 1.588 3.412 8.427 597 H THR 83 H THR 83 -1.118 0.976 3.906 598 HA THR 83 HA THR 83 0.165 -1.644 4.317 599 HB THR 83 HB THR 83 -1.938 -2.442 2.940 600 HG1 THR 83 1HG THR 83 -2.715 -0.210 2.800 601 HG21 THR 83 3HG2 THR 83 -3.071 -2.034 5.504 602 HG22 THR 83 1HG2 THR 83 -1.353 -2.379 5.705 603 HG23 THR 83 2HG2 THR 83 -2.380 -3.505 4.820 604 H ILE 84 H ILE 84 1.644 -1.983 2.798 605 HA ILE 84 HA ILE 84 1.217 -0.841 0.115 606 HB ILE 84 HB ILE 84 3.836 -1.782 1.276 607 HG12 ILE 84 2HG1 ILE 84 2.835 1.067 1.075 608 HG13 ILE 84 1HG1 ILE 84 2.861 0.128 2.564 609 HG21 ILE 84 1HG2 ILE 84 4.181 -1.754 -0.985 610 HG22 ILE 84 2HG2 ILE 84 4.591 -0.086 -0.584 611 HG23 ILE 84 3HG2 ILE 84 3.008 -0.468 -1.263 612 HD11 ILE 84 3HD1 ILE 84 5.238 0.966 0.925 613 HD12 ILE 84 1HD1 ILE 84 5.309 -0.076 2.347 614 HD13 ILE 84 2HD1 ILE 84 4.759 1.591 2.503 615 H VAL 85 H VAL 85 0.425 -2.308 -1.260 616 HA VAL 85 HA VAL 85 1.388 -5.087 -1.065 617 HB VAL 85 HB VAL 85 -0.680 -5.632 -2.450 618 HG11 VAL 85 1HG1 VAL 85 -0.417 -6.108 -0.033 619 HG12 VAL 85 2HG1 VAL 85 -2.088 -5.801 -0.507 620 HG13 VAL 85 3HG1 VAL 85 -1.162 -4.549 0.322 621 HG21 VAL 85 3HG2 VAL 85 -1.195 -3.352 -3.181 622 HG22 VAL 85 1HG2 VAL 85 -1.522 -2.890 -1.510 623 HG23 VAL 85 2HG2 VAL 85 -2.550 -4.076 -2.316 624 H VAL 86 H VAL 86 2.832 -5.632 -2.552 625 HA VAL 86 HA VAL 86 2.636 -4.417 -5.235 626 HB VAL 86 HB VAL 86 5.196 -5.339 -3.921 627 HG11 VAL 86 1HG1 VAL 86 6.312 -4.274 -5.746 628 HG12 VAL 86 2HG1 VAL 86 4.801 -3.593 -6.345 629 HG13 VAL 86 3HG1 VAL 86 5.074 -5.332 -6.422 630 HG21 VAL 86 3HG2 VAL 86 4.885 -3.495 -2.642 631 HG22 VAL 86 1HG2 VAL 86 3.763 -2.755 -3.785 632 HG23 VAL 86 2HG2 VAL 86 5.501 -2.676 -4.078 633 H ASN 87 H ASN 87 2.441 -5.785 -6.902 634 HA ASN 87 HA ASN 87 2.260 -7.700 -8.110 635 HB2 ASN 87 2HB ASN 87 4.632 -8.233 -6.383 636 HB3 ASN 87 1HB ASN 87 3.935 -9.592 -7.256 637 HD21 ASN 87 1HD2 ASN 87 3.843 -9.492 -9.553 638 HD22 ASN 87 2HD2 ASN 87 4.951 -8.496 -10.429 639 H GLY 88 H GLY 88 0.455 -7.319 -5.948 640 HA2 GLY 88 2HA GLY 88 -1.204 -8.465 -4.852 641 HA3 GLY 88 1HA GLY 88 -0.747 -9.853 -5.819 642 H LYS 89 H LYS 89 0.997 -8.047 -3.305 643 HA LYS 89 HA LYS 89 0.712 -9.993 -1.304 644 HB2 LYS 89 2HB LYS 89 3.109 -10.784 -1.288 645 HB3 LYS 89 1HB LYS 89 2.108 -11.437 -2.576 646 HG2 LYS 89 2HG LYS 89 3.125 -10.037 -4.196 647 HG3 LYS 89 1HG LYS 89 3.929 -9.075 -2.956 648 HD2 LYS 89 2HD LYS 89 5.694 -10.394 -3.409 649 HD3 LYS 89 1HD LYS 89 4.863 -11.557 -2.375 650 HE2 LYS 89 2HE LYS 89 3.781 -12.512 -4.381 651 HE3 LYS 89 1HE LYS 89 4.697 -11.389 -5.384 652 HZ1 LYS 89 3HZ LYS 89 5.605 -13.736 -5.087 653 HZ2 LYS 89 1HZ LYS 89 6.059 -13.247 -3.531 654 HZ3 LYS 89 2HZ LYS 89 6.688 -12.454 -4.887 655 H PHE 90 H PHE 90 1.299 -9.180 0.613 656 HA PHE 90 HA PHE 90 1.965 -6.455 0.858 657 HB2 PHE 90 2HB PHE 90 0.801 -8.155 2.527 658 HB3 PHE 90 1HB PHE 90 2.441 -8.323 3.142 659 HD1 PHE 90 1HD PHE 90 -0.026 -5.675 2.233 660 HD2 PHE 90 2HD PHE 90 3.147 -6.891 4.796 661 HE1 PHE 90 1HE PHE 90 -0.325 -3.634 3.568 662 HE2 PHE 90 2HE PHE 90 2.849 -4.849 6.136 663 HZ PHE 90 HZ PHE 90 1.111 -3.217 5.523 664 H TRP 91 H TRP 91 3.861 -5.715 0.148 665 HA TRP 91 HA TRP 91 6.305 -7.130 0.968 666 HB2 TRP 91 2HB TRP 91 5.482 -6.041 -1.544 667 HB3 TRP 91 1HB TRP 91 6.904 -5.162 -0.990 668 HD1 TRP 91 HD TRP 91 5.908 -8.922 -1.186 669 HE1 TRP 91 1HE TRP 91 7.949 -10.227 -2.054 670 HE3 TRP 91 3HE TRP 91 9.207 -5.045 -1.672 671 HZ2 TRP 91 2HZ TRP 91 10.604 -9.686 -2.842 672 HZ3 TRP 91 3HZ TRP 91 11.476 -5.525 -2.490 673 HH2 TRP 91 HH TRP 91 12.160 -7.798 -3.062 674 H GLY 92 H GLY 92 4.582 -4.097 1.177 675 HA2 GLY 92 2HA GLY 92 6.887 -2.970 2.650 676 HA3 GLY 92 1HA GLY 92 5.763 -1.992 1.730 677 H THR 93 H THR 93 6.621 -2.142 4.643 678 HA THR 93 HA THR 93 3.917 -2.301 5.808 679 HB THR 93 HB THR 93 4.851 -2.979 7.892 680 HG1 THR 93 1HG THR 93 7.475 -2.849 6.883 681 HG21 THR 93 3HG2 THR 93 4.705 -4.917 6.622 682 HG22 THR 93 1HG2 THR 93 6.343 -4.948 7.272 683 HG23 THR 93 2HG2 THR 93 6.069 -4.464 5.600 684 H GLU 94 H GLU 94 4.300 -1.071 8.191 685 HA GLU 94 HA GLU 94 4.402 1.696 7.439 686 HB2 GLU 94 2HB GLU 94 3.716 2.159 9.716 687 HB3 GLU 94 1HB GLU 94 2.752 0.841 9.068 688 HG2 GLU 94 2HG GLU 94 5.179 0.136 10.629 689 HG3 GLU 94 1HG GLU 94 3.804 0.791 11.504 690 H SER 95 H SER 95 6.480 -0.531 9.209 691 HA SER 95 HA SER 95 8.288 1.568 10.040 692 HB2 SER 95 2HB SER 95 7.808 -0.547 11.383 693 HB3 SER 95 1HB SER 95 8.799 -1.404 10.202 694 HG SER 95 HG SER 95 10.092 -0.780 11.925 695 H GLN 96 H GLN 96 8.152 -0.890 7.525 696 HA GLN 96 HA GLN 96 10.752 -0.979 6.643 697 HB2 GLN 96 2HB GLN 96 8.950 -2.339 5.688 698 HB3 GLN 96 1HB GLN 96 8.258 -0.911 4.932 699 HG2 GLN 96 2HG GLN 96 11.048 -1.304 4.233 700 HG3 GLN 96 1HG GLN 96 10.030 -2.672 3.786 701 HE21 GLN 96 1HE2 GLN 96 8.836 -2.526 1.991 702 HE22 GLN 96 2HE2 GLN 96 8.606 -1.085 1.064 703 H LEU 97 H LEU 97 8.353 1.536 6.002 704 HA LEU 97 HA LEU 97 9.735 2.980 4.049 705 HB2 LEU 97 2HB LEU 97 7.990 4.213 6.177 706 HB3 LEU 97 1HB LEU 97 8.306 4.829 4.566 707 HG LEU 97 HG LEU 97 6.849 2.240 5.070 708 HD11 LEU 97 1HD1 LEU 97 5.588 4.903 4.468 709 HD12 LEU 97 2HD1 LEU 97 5.708 4.226 6.092 710 HD13 LEU 97 3HD1 LEU 97 4.783 3.381 4.851 711 HD21 LEU 97 3HD2 LEU 97 7.369 2.087 2.875 712 HD22 LEU 97 1HD2 LEU 97 7.605 3.827 2.697 713 HD23 LEU 97 2HD2 LEU 97 5.974 3.153 2.701 714 H HIS 98 H HIS 98 9.664 3.596 7.575 715 HA HIS 98 HA HIS 98 11.713 5.578 7.420 716 HB2 HIS 98 2HB HIS 98 10.025 4.420 9.505 717 HB3 HIS 98 1HB HIS 98 11.657 4.773 10.065 718 HD1 HIS 98 1HD HIS 98 8.748 6.302 10.563 719 HD2 HIS 98 2HD HIS 98 12.100 7.623 8.489 720 HE1 HIS 98 1HE HIS 98 8.589 8.812 10.553 721 HE2 HIS 98 2HE HIS 98 10.638 9.591 9.312 722 H ARG 99 H ARG 99 11.666 2.150 8.349 723 HA ARG 99 HA ARG 99 14.278 1.951 9.301 724 HB2 ARG 99 2HB ARG 99 12.306 0.032 8.181 725 HB3 ARG 99 1HB ARG 99 13.978 -0.496 8.266 726 HG2 ARG 99 2HG ARG 99 12.561 0.648 10.649 727 HG3 ARG 99 1HG ARG 99 12.457 -1.061 10.227 728 HD2 ARG 99 2HD ARG 99 14.741 -1.412 10.586 729 HD3 ARG 99 1HD ARG 99 15.111 0.308 10.497 730 HE ARG 99 HE ARG 99 14.212 -1.163 12.805 731 HH11 ARG 99 1HH1 ARG 99 14.447 2.005 11.331 732 HH12 ARG 99 2HH1 ARG 99 14.403 2.849 12.839 733 HH21 ARG 99 1HH2 ARG 99 14.149 -0.042 14.794 734 HH22 ARG 99 2HH2 ARG 99 14.233 1.687 14.808 735 H PHE 100 H PHE 100 13.057 1.866 5.996 736 HA PHE 100 HA PHE 100 15.604 1.155 4.863 737 HB2 PHE 100 2HB PHE 100 12.921 1.885 3.764 738 HB3 PHE 100 1HB PHE 100 14.324 1.997 2.707 739 HD1 PHE 100 2HD PHE 100 13.370 -0.478 5.337 740 HD2 PHE 100 1HD PHE 100 14.282 0.227 1.239 741 HE1 PHE 100 2HE PHE 100 13.233 -2.892 4.895 742 HE2 PHE 100 1HE PHE 100 14.145 -2.187 0.793 743 HZ PHE 100 HZ PHE 100 13.621 -3.750 2.619 744 H GLU 101 H GLU 101 13.683 4.140 5.122 745 HA GLU 101 HA GLU 101 15.425 5.805 3.684 746 HB2 GLU 101 2HB GLU 101 12.992 6.173 4.749 747 HB3 GLU 101 1HB GLU 101 13.955 6.980 5.980 748 HG2 GLU 101 2HG GLU 101 13.768 8.779 4.681 749 HG3 GLU 101 1HG GLU 101 15.006 8.015 3.689 750 H ALA 102 H ALA 102 15.285 5.012 7.126 751 HA ALA 102 HA ALA 102 17.349 6.764 7.955 752 HB1 ALA 102 1HB ALA 102 16.184 6.122 9.787 753 HB2 ALA 102 2HB ALA 102 17.435 4.884 9.862 754 HB3 ALA 102 3HB ALA 102 15.865 4.506 9.155 755 H LYS 103 H LYS 103 17.360 3.319 7.058 756 HA LYS 103 HA LYS 103 20.137 2.946 7.544 757 HB2 LYS 103 2HB LYS 103 18.021 1.371 6.112 758 HB3 LYS 103 1HB LYS 103 19.707 0.892 6.017 759 HG2 LYS 103 2HG LYS 103 19.563 1.083 8.638 760 HG3 LYS 103 1HG LYS 103 17.846 0.829 8.325 761 HD2 LYS 103 2HD LYS 103 19.623 -0.982 6.855 762 HD3 LYS 103 1HD LYS 103 19.698 -1.155 8.610 763 HE2 LYS 103 2HE LYS 103 17.193 -1.296 8.608 764 HE3 LYS 103 1HE LYS 103 17.265 -1.366 6.847 765 HZ1 LYS 103 3HZ LYS 103 17.121 -3.572 7.849 766 HZ2 LYS 103 1HZ LYS 103 18.566 -3.302 8.688 767 HZ3 LYS 103 2HZ LYS 103 18.569 -3.379 6.998 768 H GLY 104 H GLY 104 18.289 4.106 4.822 769 HA2 GLY 104 2HA GLY 104 19.216 5.366 3.057 770 HA3 GLY 104 1HA GLY 104 20.785 4.654 3.400 771 H THR 105 H THR 105 17.925 2.667 3.133 772 HA THR 105 HA THR 105 18.972 1.595 0.594 773 HB THR 105 HB THR 105 18.026 -0.551 1.195 774 HG1 THR 105 1HG THR 105 17.053 0.785 3.499 775 HG21 THR 105 3HG2 THR 105 19.260 -1.094 3.250 776 HG22 THR 105 1HG2 THR 105 19.568 0.626 3.492 777 HG23 THR 105 2HG2 THR 105 20.228 -0.199 2.080 778 H LEU 106 H LEU 106 16.816 3.757 1.295 779 HA LEU 106 HA LEU 106 14.323 2.780 0.388 780 HB2 LEU 106 2HB LEU 106 15.076 5.059 1.556 781 HB3 LEU 106 1HB LEU 106 15.083 5.620 -0.102 782 HG LEU 106 HG LEU 106 12.979 6.170 0.954 783 HD11 LEU 106 1HD1 LEU 106 11.611 5.578 -0.769 784 HD12 LEU 106 2HD1 LEU 106 12.196 3.915 -0.816 785 HD13 LEU 106 3HD1 LEU 106 13.181 5.218 -1.483 786 HD21 LEU 106 3HD2 LEU 106 11.450 4.490 1.786 787 HD22 LEU 106 1HD2 LEU 106 12.981 4.399 2.655 788 HD23 LEU 106 2HD2 LEU 106 12.607 3.213 1.404 789 H GLU 107 H GLU 107 16.869 4.626 -1.308 790 HA GLU 107 HA GLU 107 15.603 4.465 -3.852 791 HB2 GLU 107 2HB GLU 107 17.572 6.014 -2.894 792 HB3 GLU 107 1HB GLU 107 18.552 4.807 -3.715 793 HG2 GLU 107 2HG GLU 107 18.297 6.184 -5.467 794 HG3 GLU 107 1HG GLU 107 16.763 5.336 -5.649 795 H GLU 108 H GLU 108 18.162 2.576 -2.281 796 HA GLU 108 HA GLU 108 18.922 0.980 -4.437 797 HB2 GLU 108 2HB GLU 108 19.964 1.138 -2.098 798 HB3 GLU 108 1HB GLU 108 18.756 -0.040 -1.606 799 HG2 GLU 108 2HG GLU 108 19.670 -1.716 -2.929 800 HG3 GLU 108 1HG GLU 108 20.550 -0.572 -3.938 801 H GLU 109 H GLU 109 16.371 0.441 -2.021 802 HA GLU 109 HA GLU 109 15.503 -2.057 -2.987 803 HB2 GLU 109 2HB GLU 109 14.918 -1.153 -0.764 804 HB3 GLU 109 1HB GLU 109 13.901 0.057 -1.534 805 HG2 GLU 109 2HG GLU 109 13.066 -2.435 -2.533 806 HG3 GLU 109 1HG GLU 109 13.278 -2.639 -0.797 807 H LEU 110 H LEU 110 14.535 1.257 -3.789 808 HA LEU 110 HA LEU 110 12.316 0.700 -5.387 809 HB2 LEU 110 2HB LEU 110 13.652 2.964 -4.625 810 HB3 LEU 110 1HB LEU 110 14.003 2.905 -6.341 811 HG LEU 110 HG LEU 110 11.371 2.524 -6.489 812 HD11 LEU 110 1HD1 LEU 110 11.435 4.416 -4.186 813 HD12 LEU 110 2HD1 LEU 110 11.399 2.680 -3.879 814 HD13 LEU 110 3HD1 LEU 110 10.105 3.437 -4.808 815 HD21 LEU 110 3HD2 LEU 110 12.064 5.346 -5.985 816 HD22 LEU 110 1HD2 LEU 110 11.312 4.591 -7.390 817 HD23 LEU 110 2HD2 LEU 110 13.060 4.505 -7.172 818 H THR 111 H THR 111 15.751 0.552 -6.135 819 HA THR 111 HA THR 111 15.392 0.258 -8.961 820 HB THR 111 HB THR 111 17.828 -0.684 -7.464 821 HG1 THR 111 1HG THR 111 18.467 1.335 -7.123 822 HG21 THR 111 3HG2 THR 111 17.421 0.621 -10.143 823 HG22 THR 111 1HG2 THR 111 17.960 -1.028 -9.821 824 HG23 THR 111 2HG2 THR 111 18.995 0.337 -9.403 825 H LYS 112 H LYS 112 15.640 -1.943 -6.219 826 HA LYS 112 HA LYS 112 15.992 -4.326 -7.712 827 HB2 LYS 112 2HB LYS 112 16.481 -4.109 -5.283 828 HB3 LYS 112 1HB LYS 112 14.754 -4.013 -4.969 829 HG2 LYS 112 2HG LYS 112 14.402 -6.243 -5.510 830 HG3 LYS 112 1HG LYS 112 15.906 -6.362 -6.424 831 HD2 LYS 112 2HD LYS 112 16.946 -5.793 -4.045 832 HD3 LYS 112 1HD LYS 112 15.437 -6.523 -3.494 833 HE2 LYS 112 2HE LYS 112 16.014 -8.594 -4.217 834 HE3 LYS 112 1HE LYS 112 16.911 -7.978 -5.604 835 HZ1 LYS 112 3HZ LYS 112 17.818 -8.442 -2.860 836 HZ2 LYS 112 1HZ LYS 112 18.513 -7.152 -3.707 837 HZ3 LYS 112 2HZ LYS 112 18.617 -8.724 -4.323 838 H ILE 113 H ILE 113 13.093 -2.710 -6.429 839 HA ILE 113 HA ILE 113 11.266 -4.713 -7.251 840 HB ILE 113 HB ILE 113 9.516 -2.936 -7.009 841 HG12 ILE 113 2HG1 ILE 113 11.793 -1.211 -6.025 842 HG13 ILE 113 1HG1 ILE 113 11.075 -1.045 -7.622 843 HG21 ILE 113 1HG2 ILE 113 9.444 -3.233 -4.763 844 HG22 ILE 113 2HG2 ILE 113 11.136 -2.789 -4.536 845 HG23 ILE 113 3HG2 ILE 113 10.718 -4.393 -5.137 846 HD11 ILE 113 3HD1 ILE 113 10.281 0.519 -5.774 847 HD12 ILE 113 1HD1 ILE 113 9.411 -0.879 -5.143 848 HD13 ILE 113 2HD1 ILE 113 9.056 -0.277 -6.763 849 H GLY 114 H GLY 114 12.812 -2.119 -8.963 850 HA2 GLY 114 2HA GLY 114 12.920 -2.097 -11.336 851 HA3 GLY 114 1HA GLY 114 11.378 -2.934 -11.388 852 H LEU 115 H LEU 115 11.804 -0.188 -9.276 853 HA LEU 115 HA LEU 115 9.783 1.259 -10.790 854 HB2 LEU 115 2HB LEU 115 10.199 0.971 -8.120 855 HB3 LEU 115 1HB LEU 115 10.978 2.517 -8.404 856 HG LEU 115 HG LEU 115 8.273 2.213 -9.561 857 HD11 LEU 115 1HD1 LEU 115 7.662 1.177 -7.581 858 HD12 LEU 115 2HD1 LEU 115 7.356 2.879 -7.242 859 HD13 LEU 115 3HD1 LEU 115 8.813 2.106 -6.620 860 HD21 LEU 115 3HD2 LEU 115 9.804 4.277 -9.527 861 HD22 LEU 115 1HD2 LEU 115 9.327 4.427 -7.836 862 HD23 LEU 115 2HD2 LEU 115 8.105 4.493 -9.105 863 H LEU 116 H LEU 116 13.126 1.733 -9.682 864 HA LEU 116 HA LEU 116 13.433 3.795 -11.761 865 HB2 LEU 116 2HB LEU 116 13.397 4.409 -9.140 866 HB3 LEU 116 1HB LEU 116 15.097 4.025 -9.318 867 HG LEU 116 HG LEU 116 14.164 5.811 -11.419 868 HD11 LEU 116 1HD1 LEU 116 13.546 6.456 -8.587 869 HD12 LEU 116 2HD1 LEU 116 12.694 6.907 -10.064 870 HD13 LEU 116 3HD1 LEU 116 14.182 7.740 -9.613 871 HD21 LEU 116 3HD2 LEU 116 16.432 5.809 -11.255 872 HD22 LEU 116 1HD2 LEU 116 16.418 5.555 -9.509 873 HD23 LEU 116 2HD2 LEU 116 16.089 7.156 -10.170 874 HA PRO 117 HA PRO 117 16.703 0.376 -11.945 875 HB2 PRO 117 2HB PRO 117 16.023 -0.699 -14.330 876 HB3 PRO 117 1HB PRO 117 15.290 -1.226 -12.810 877 HG2 PRO 117 2HG PRO 117 14.220 0.657 -14.875 878 HG3 PRO 117 1HG PRO 117 13.383 -0.638 -14.001 879 HD2 PRO 117 2HD PRO 117 13.185 1.984 -13.311 880 HD3 PRO 117 1HD PRO 117 13.058 0.662 -12.135 Start of MODEL 15 1 H MET 9 1HT MET 9 -14.513 -12.402 3.719 2 HA MET 9 HA MET 9 -15.618 -15.118 3.497 3 HB2 MET 9 2HB MET 9 -16.527 -12.329 2.916 4 HB3 MET 9 1HB MET 9 -17.100 -13.623 1.874 5 HG2 MET 9 2HG MET 9 -17.729 -14.776 4.123 6 HG3 MET 9 1HG MET 9 -17.637 -13.137 4.766 7 HE1 MET 9 2HE MET 9 -19.325 -11.128 3.966 8 HE2 MET 9 3HE MET 9 -20.259 -11.292 2.477 9 HE3 MET 9 1HE MET 9 -18.498 -11.386 2.429 10 H SER 10 H SER 10 -15.195 -16.267 1.705 11 HA SER 10 HA SER 10 -13.016 -15.742 0.067 12 HB2 SER 10 2HB SER 10 -15.260 -17.396 -1.015 13 HB3 SER 10 1HB SER 10 -13.524 -17.707 -1.039 14 HG SER 10 HG SER 10 -14.759 -19.041 0.439 15 H ALA 11 H ALA 11 -16.415 -14.909 -0.365 16 HA ALA 11 HA ALA 11 -16.419 -14.194 -3.053 17 HB1 ALA 11 1HB ALA 11 -18.502 -14.298 -1.964 18 HB2 ALA 11 2HB ALA 11 -18.274 -12.598 -2.370 19 HB3 ALA 11 3HB ALA 11 -17.999 -13.153 -0.719 20 H PHE 12 H PHE 12 -15.276 -12.412 -0.245 21 HA PHE 12 HA PHE 12 -14.814 -9.998 -1.767 22 HB2 PHE 12 2HB PHE 12 -14.489 -10.811 1.089 23 HB3 PHE 12 1HB PHE 12 -13.559 -9.439 0.497 24 HD1 PHE 12 2HD PHE 12 -14.873 -7.571 -0.696 25 HD2 PHE 12 1HD PHE 12 -16.677 -10.509 1.802 26 HE1 PHE 12 2HE PHE 12 -16.825 -6.108 -0.391 27 HE2 PHE 12 1HE PHE 12 -18.635 -9.048 2.109 28 HZ PHE 12 HZ PHE 12 -18.708 -6.845 1.012 29 H VAL 13 H VAL 13 -12.938 -12.717 -0.528 30 HA VAL 13 HA VAL 13 -10.358 -11.725 -0.868 31 HB VAL 13 HB VAL 13 -11.208 -14.581 -1.383 32 HG11 VAL 13 1HG1 VAL 13 -8.570 -13.328 -0.653 33 HG12 VAL 13 2HG1 VAL 13 -8.968 -14.259 -2.097 34 HG13 VAL 13 3HG1 VAL 13 -8.897 -15.056 -0.527 35 HG21 VAL 13 3HG2 VAL 13 -12.070 -14.109 0.742 36 HG22 VAL 13 1HG2 VAL 13 -10.687 -13.108 1.181 37 HG23 VAL 13 2HG2 VAL 13 -10.507 -14.858 1.060 38 H THR 14 H THR 14 -12.344 -13.560 -3.204 39 HA THR 14 HA THR 14 -10.504 -13.531 -5.315 40 HB THR 14 HB THR 14 -12.498 -14.980 -5.275 41 HG1 THR 14 1HG THR 14 -12.736 -14.944 -7.421 42 HG21 THR 14 3HG2 THR 14 -14.675 -14.243 -5.760 43 HG22 THR 14 1HG2 THR 14 -14.125 -12.608 -6.121 44 HG23 THR 14 2HG2 THR 14 -14.091 -13.203 -4.462 45 H LYS 15 H LYS 15 -13.048 -11.191 -4.464 46 HA LYS 15 HA LYS 15 -12.750 -9.552 -6.739 47 HB2 LYS 15 2HB LYS 15 -14.020 -9.266 -4.076 48 HB3 LYS 15 1HB LYS 15 -13.608 -7.770 -4.902 49 HG2 LYS 15 2HG LYS 15 -15.918 -8.513 -5.322 50 HG3 LYS 15 1HG LYS 15 -14.956 -8.374 -6.795 51 HD2 LYS 15 2HD LYS 15 -14.728 -10.716 -6.983 52 HD3 LYS 15 1HD LYS 15 -15.292 -10.980 -5.333 53 HE2 LYS 15 2HE LYS 15 -17.478 -9.871 -6.163 54 HE3 LYS 15 1HE LYS 15 -16.860 -10.238 -7.774 55 HZ1 LYS 15 3HZ LYS 15 -18.336 -11.973 -6.875 56 HZ2 LYS 15 1HZ LYS 15 -17.233 -12.252 -5.621 57 HZ3 LYS 15 2HZ LYS 15 -16.787 -12.557 -7.225 58 H ALA 16 H ALA 16 -11.140 -9.562 -3.601 59 HA ALA 16 HA ALA 16 -9.702 -7.145 -3.942 60 HB1 ALA 16 1HB ALA 16 -10.099 -8.513 -1.790 61 HB2 ALA 16 2HB ALA 16 -8.547 -7.701 -1.998 62 HB3 ALA 16 3HB ALA 16 -8.682 -9.434 -2.298 63 H GLU 17 H GLU 17 -8.986 -10.522 -4.715 64 HA GLU 17 HA GLU 17 -6.301 -10.082 -5.529 65 HB2 GLU 17 2HB GLU 17 -8.133 -12.326 -6.383 66 HB3 GLU 17 1HB GLU 17 -6.375 -12.320 -6.437 67 HG2 GLU 17 2HG GLU 17 -7.201 -11.750 -3.773 68 HG3 GLU 17 1HG GLU 17 -8.069 -13.173 -4.346 69 H GLU 18 H GLU 18 -9.398 -10.062 -7.234 70 HA GLU 18 HA GLU 18 -8.365 -9.969 -9.859 71 HB2 GLU 18 2HB GLU 18 -10.962 -9.524 -8.566 72 HB3 GLU 18 1HB GLU 18 -10.718 -8.556 -10.012 73 HG2 GLU 18 2HG GLU 18 -10.421 -11.547 -9.868 74 HG3 GLU 18 1HG GLU 18 -11.842 -10.692 -10.465 75 H MET 19 H MET 19 -8.907 -7.465 -7.440 76 HA MET 19 HA MET 19 -8.584 -5.247 -9.187 77 HB2 MET 19 2HB MET 19 -9.393 -5.535 -6.595 78 HB3 MET 19 1HB MET 19 -7.786 -4.855 -6.378 79 HG2 MET 19 2HG MET 19 -9.457 -3.517 -8.393 80 HG3 MET 19 1HG MET 19 -10.027 -3.401 -6.729 81 HE1 MET 19 3HE MET 19 -8.986 -0.540 -8.312 82 HE2 MET 19 1HE MET 19 -8.540 0.019 -6.699 83 HE3 MET 19 2HE MET 19 -9.967 -0.994 -6.917 84 H ILE 20 H ILE 20 -6.328 -6.959 -7.023 85 HA ILE 20 HA ILE 20 -4.104 -5.296 -7.653 86 HB ILE 20 HB ILE 20 -2.766 -7.112 -6.571 87 HG12 ILE 20 2HG1 ILE 20 -5.417 -8.337 -5.840 88 HG13 ILE 20 1HG1 ILE 20 -4.462 -8.920 -7.199 89 HG21 ILE 20 1HG2 ILE 20 -4.945 -6.518 -4.669 90 HG22 ILE 20 2HG2 ILE 20 -4.168 -5.144 -5.454 91 HG23 ILE 20 3HG2 ILE 20 -3.204 -6.283 -4.512 92 HD11 ILE 20 3HD1 ILE 20 -2.662 -9.523 -5.734 93 HD12 ILE 20 1HD1 ILE 20 -4.161 -10.229 -5.130 94 HD13 ILE 20 2HD1 ILE 20 -3.488 -8.794 -4.358 95 H LYS 21 H LYS 21 -5.645 -7.824 -9.334 96 HA LYS 21 HA LYS 21 -3.502 -9.097 -10.603 97 HB2 LYS 21 2HB LYS 21 -6.297 -9.188 -10.718 98 HB3 LYS 21 1HB LYS 21 -5.784 -8.789 -12.351 99 HG2 LYS 21 2HG LYS 21 -4.111 -10.776 -11.974 100 HG3 LYS 21 1HG LYS 21 -5.297 -11.251 -10.755 101 HD2 LYS 21 2HD LYS 21 -7.062 -11.118 -12.497 102 HD3 LYS 21 1HD LYS 21 -5.808 -10.792 -13.693 103 HE2 LYS 21 2HE LYS 21 -5.955 -13.262 -11.966 104 HE3 LYS 21 1HE LYS 21 -6.511 -13.167 -13.636 105 HZ1 LYS 21 3HZ LYS 21 -3.725 -12.860 -12.656 106 HZ2 LYS 21 1HZ LYS 21 -4.200 -12.529 -14.245 107 HZ3 LYS 21 2HZ LYS 21 -4.337 -14.099 -13.630 108 H SER 22 H SER 22 -5.583 -6.477 -11.868 109 HA SER 22 HA SER 22 -3.685 -5.924 -13.992 110 HB2 SER 22 2HB SER 22 -6.082 -5.867 -14.501 111 HB3 SER 22 1HB SER 22 -6.321 -4.601 -13.298 112 HG SER 22 HG SER 22 -5.498 -4.391 -15.866 113 H HIS 23 H HIS 23 -3.846 -5.103 -10.806 114 HA HIS 23 HA HIS 23 -2.398 -2.600 -11.290 115 HB2 HIS 23 2HB HIS 23 -4.618 -3.118 -9.340 116 HB3 HIS 23 1HB HIS 23 -3.382 -1.920 -8.972 117 HD1 HIS 23 1HD HIS 23 -4.063 0.354 -9.620 118 HD2 HIS 23 2HD HIS 23 -5.696 -2.514 -12.145 119 HE1 HIS 23 1HE HIS 23 -5.475 1.628 -11.262 120 HE2 HIS 23 2HE HIS 23 -6.324 -0.114 -12.871 121 HA PRO 24 HA PRO 24 0.134 -5.660 -8.865 122 HB2 PRO 24 2HB PRO 24 2.455 -5.097 -10.186 123 HB3 PRO 24 1HB PRO 24 1.301 -6.329 -10.710 124 HG2 PRO 24 2HG PRO 24 1.653 -3.524 -11.692 125 HG3 PRO 24 1HG PRO 24 1.372 -5.009 -12.619 126 HD2 PRO 24 2HD PRO 24 -0.607 -3.258 -12.093 127 HD3 PRO 24 1HD PRO 24 -0.895 -5.008 -12.179 128 H TYR 25 H TYR 25 0.849 -2.322 -9.865 129 HA TYR 25 HA TYR 25 2.398 -1.932 -7.402 130 HB2 TYR 25 2HB TYR 25 2.302 -0.583 -10.055 131 HB3 TYR 25 1HB TYR 25 2.692 0.412 -8.658 132 HD1 TYR 25 1HD TYR 25 3.698 -2.776 -10.324 133 HD2 TYR 25 2HD TYR 25 4.896 0.527 -7.921 134 HE1 TYR 25 1HE TYR 25 6.030 -3.549 -10.434 135 HE2 TYR 25 2HE TYR 25 7.231 -0.238 -8.027 136 HH TYR 25 HH TYR 25 8.387 -2.337 -10.206 137 H PHE 26 H PHE 26 0.208 -2.171 -6.330 138 HA PHE 26 HA PHE 26 -1.304 0.354 -6.367 139 HB2 PHE 26 2HB PHE 26 -2.409 -1.966 -6.760 140 HB3 PHE 26 1HB PHE 26 -2.247 -2.159 -5.020 141 HD1 PHE 26 1HD PHE 26 -3.193 -0.163 -3.586 142 HD2 PHE 26 2HD PHE 26 -4.325 -1.012 -7.600 143 HE1 PHE 26 1HE PHE 26 -5.288 1.083 -3.258 144 HE2 PHE 26 2HE PHE 26 -6.420 0.232 -7.276 145 HZ PHE 26 HZ PHE 26 -6.904 1.281 -5.103 146 H GLN 27 H GLN 27 -1.581 1.564 -4.562 147 HA GLN 27 HA GLN 27 -0.477 0.585 -2.027 148 HB2 GLN 27 2HB GLN 27 0.195 3.209 -3.366 149 HB3 GLN 27 1HB GLN 27 0.526 2.876 -1.671 150 HG2 GLN 27 2HG GLN 27 2.067 1.154 -2.226 151 HG3 GLN 27 1HG GLN 27 1.593 1.193 -3.923 152 HE21 GLN 27 1HE2 GLN 27 4.242 1.460 -2.911 153 HE22 GLN 27 2HE2 GLN 27 4.812 3.029 -3.353 154 H LEU 28 H LEU 28 -2.129 0.613 -0.643 155 HA LEU 28 HA LEU 28 -4.288 2.538 -0.967 156 HB2 LEU 28 2HB LEU 28 -3.918 0.152 0.835 157 HB3 LEU 28 1HB LEU 28 -5.287 1.235 0.976 158 HG LEU 28 HG LEU 28 -4.753 0.036 -1.695 159 HD11 LEU 28 1HD1 LEU 28 -4.468 -1.876 -0.248 160 HD12 LEU 28 2HD1 LEU 28 -6.016 -1.981 -1.084 161 HD13 LEU 28 3HD1 LEU 28 -5.960 -1.486 0.607 162 HD21 LEU 28 3HD2 LEU 28 -7.092 1.014 -0.120 163 HD22 LEU 28 1HD2 LEU 28 -7.346 -0.134 -1.436 164 HD23 LEU 28 2HD2 LEU 28 -6.589 1.425 -1.758 165 H SER 29 H SER 29 -4.146 4.467 -0.037 166 HA SER 29 HA SER 29 -2.511 4.772 2.380 167 HB2 SER 29 2HB SER 29 -3.635 7.169 1.033 168 HB3 SER 29 1HB SER 29 -2.035 6.909 1.725 169 HG SER 29 HG SER 29 -2.958 6.453 -0.841 170 H ALA 30 H ALA 30 -3.379 6.688 3.813 171 HA ALA 30 HA ALA 30 -6.221 6.141 4.390 172 HB1 ALA 30 1HB ALA 30 -5.789 6.302 6.700 173 HB2 ALA 30 2HB ALA 30 -4.191 6.997 6.433 174 HB3 ALA 30 3HB ALA 30 -4.490 5.303 6.047 175 H SER 31 H SER 31 -7.169 7.955 5.845 176 HA SER 31 HA SER 31 -7.134 10.365 4.333 177 HB2 SER 31 2HB SER 31 -8.613 11.171 6.305 178 HB3 SER 31 1HB SER 31 -9.216 9.864 5.287 179 HG SER 31 HG SER 31 -9.202 8.610 6.970 180 H TRP 32 H TRP 32 -4.756 10.694 4.580 181 HA TRP 32 HA TRP 32 -2.958 11.809 5.389 182 HB2 TRP 32 2HB TRP 32 -4.644 13.658 5.179 183 HB3 TRP 32 1HB TRP 32 -4.994 13.462 6.891 184 HD1 TRP 32 HD TRP 32 -1.353 13.202 5.839 185 HE1 TRP 32 1HE TRP 32 -0.092 15.287 6.666 186 HE3 TRP 32 3HE TRP 32 -5.339 16.001 7.389 187 HZ2 TRP 32 2HZ TRP 32 -0.706 17.793 7.817 188 HZ3 TRP 32 3HZ TRP 32 -4.918 18.230 8.342 189 HH2 TRP 32 HH TRP 32 -2.648 19.105 8.552 190 H CYS 33 H CYS 33 -2.773 9.638 6.612 191 HA CYS 33 HA CYS 33 -3.088 9.829 9.491 192 HB2 CYS 33 2HB CYS 33 -2.553 7.700 7.537 193 HB3 CYS 33 1HB CYS 33 -1.631 7.534 9.024 194 HG CYS 33 HG CYS 33 -4.536 7.950 9.665 195 HA PRO 34 HA PRO 34 0.974 11.125 10.646 196 HB2 PRO 34 2HB PRO 34 1.781 9.207 12.447 197 HB3 PRO 34 1HB PRO 34 0.676 10.530 12.830 198 HG2 PRO 34 2HG PRO 34 0.063 7.684 12.151 199 HG3 PRO 34 1HG PRO 34 -0.677 8.731 13.377 200 HD2 PRO 34 2HD PRO 34 -1.890 8.235 11.034 201 HD3 PRO 34 1HD PRO 34 -2.012 9.818 11.829 202 H ASP 35 H ASP 35 0.709 7.689 9.818 203 HA ASP 35 HA ASP 35 3.524 7.610 9.039 204 HB2 ASP 35 2HB ASP 35 1.412 5.479 9.332 205 HB3 ASP 35 1HB ASP 35 2.974 5.156 8.585 206 H CYS 36 H CYS 36 0.309 7.563 7.620 207 HA CYS 36 HA CYS 36 1.065 6.759 5.014 208 HB2 CYS 36 2HB CYS 36 -1.305 8.314 6.048 209 HB3 CYS 36 1HB CYS 36 -1.116 7.893 4.350 210 HG CYS 36 HG CYS 36 -1.674 5.515 4.846 211 H VAL 37 H VAL 37 0.716 9.952 6.532 212 HA VAL 37 HA VAL 37 1.129 11.540 4.279 213 HB VAL 37 HB VAL 37 0.418 12.432 6.469 214 HG11 VAL 37 1HG1 VAL 37 1.950 11.158 7.891 215 HG12 VAL 37 2HG1 VAL 37 2.047 12.889 8.216 216 HG13 VAL 37 3HG1 VAL 37 3.306 12.098 7.270 217 HG21 VAL 37 3HG2 VAL 37 0.981 14.218 5.199 218 HG22 VAL 37 1HG2 VAL 37 2.597 13.606 4.855 219 HG23 VAL 37 2HG2 VAL 37 2.259 14.378 6.404 220 H TYR 38 H TYR 38 3.467 9.899 6.355 221 HA TYR 38 HA TYR 38 5.807 11.138 5.426 222 HB2 TYR 38 2HB TYR 38 5.657 9.682 7.444 223 HB3 TYR 38 1HB TYR 38 5.511 8.284 6.385 224 HD1 TYR 38 1HD TYR 38 7.783 11.224 6.871 225 HD2 TYR 38 2HD TYR 38 7.435 7.080 5.964 226 HE1 TYR 38 1HE TYR 38 10.232 11.041 6.793 227 HE2 TYR 38 2HE TYR 38 9.884 6.888 5.885 228 HH TYR 38 HH TYR 38 11.913 9.292 5.513 229 H ALA 39 H ALA 39 4.408 7.991 4.440 230 HA ALA 39 HA ALA 39 6.200 7.526 2.318 231 HB1 ALA 39 1HB ALA 39 5.044 5.621 1.967 232 HB2 ALA 39 2HB ALA 39 3.479 6.430 2.018 233 HB3 ALA 39 3HB ALA 39 4.313 6.026 3.519 234 H ASN 40 H ASN 40 3.231 9.385 2.487 235 HA ASN 40 HA ASN 40 2.797 9.608 -0.306 236 HB2 ASN 40 2HB ASN 40 1.714 10.878 2.143 237 HB3 ASN 40 1HB ASN 40 1.601 11.833 0.667 238 HD21 ASN 40 1HD2 ASN 40 0.808 8.711 2.089 239 HD22 ASN 40 2HD2 ASN 40 -0.564 8.400 1.085 240 H SER 41 H SER 41 4.565 11.472 2.087 241 HA SER 41 HA SER 41 5.174 13.665 0.444 242 HB2 SER 41 2HB SER 41 6.115 12.622 3.049 243 HB3 SER 41 1HB SER 41 7.230 13.688 2.196 244 HG SER 41 HG SER 41 4.542 14.255 2.917 245 H ILE 42 H ILE 42 6.788 10.579 0.996 246 HA ILE 42 HA ILE 42 9.237 11.103 -0.227 247 HB ILE 42 HB ILE 42 7.739 8.480 -0.229 248 HG12 ILE 42 2HG1 ILE 42 8.056 9.426 2.035 249 HG13 ILE 42 1HG1 ILE 42 8.994 7.961 1.796 250 HG21 ILE 42 1HG2 ILE 42 10.460 9.282 -1.072 251 HG22 ILE 42 2HG2 ILE 42 9.417 7.992 -1.672 252 HG23 ILE 42 3HG2 ILE 42 10.317 7.771 -0.170 253 HD11 ILE 42 3HD1 ILE 42 9.906 10.384 2.763 254 HD12 ILE 42 1HD1 ILE 42 10.517 10.313 1.110 255 HD13 ILE 42 2HD1 ILE 42 10.890 9.015 2.245 256 H TRP 43 H TRP 43 6.428 9.445 -1.738 257 HA TRP 43 HA TRP 43 7.604 9.639 -4.332 258 HB2 TRP 43 2HB TRP 43 5.546 8.668 -5.183 259 HB3 TRP 43 1HB TRP 43 6.100 7.791 -3.768 260 HD1 TRP 43 HD TRP 43 3.667 10.807 -4.240 261 HE1 TRP 43 1HE TRP 43 1.529 10.298 -2.899 262 HE3 TRP 43 3HE TRP 43 4.961 6.236 -2.346 263 HZ2 TRP 43 2HZ TRP 43 0.524 8.232 -1.261 264 HZ3 TRP 43 3HZ TRP 43 3.353 5.061 -0.900 265 HH2 TRP 43 HH TRP 43 1.181 6.041 -0.369 266 H ASN 44 H ASN 44 5.826 11.848 -2.454 267 HA ASN 44 HA ASN 44 4.560 13.290 -4.575 268 HB2 ASN 44 2HB ASN 44 3.745 13.398 -2.255 269 HB3 ASN 44 1HB ASN 44 5.248 14.165 -1.757 270 HD21 ASN 44 1HD2 ASN 44 2.110 14.705 -2.616 271 HD22 ASN 44 2HD2 ASN 44 2.218 16.374 -3.048 272 H LYS 45 H LYS 45 7.570 13.686 -2.737 273 HA LYS 45 HA LYS 45 8.323 16.073 -4.168 274 HB2 LYS 45 2HB LYS 45 8.917 15.637 -1.775 275 HB3 LYS 45 1HB LYS 45 10.002 14.367 -2.323 276 HG2 LYS 45 2HG LYS 45 10.866 16.459 -3.815 277 HG3 LYS 45 1HG LYS 45 10.331 17.284 -2.350 278 HD2 LYS 45 2HD LYS 45 12.233 14.938 -2.423 279 HD3 LYS 45 1HD LYS 45 12.718 16.628 -2.281 280 HE2 LYS 45 2HE LYS 45 10.822 15.346 -0.333 281 HE3 LYS 45 1HE LYS 45 12.569 15.251 -0.130 282 HZ1 LYS 45 3HZ LYS 45 11.981 17.098 1.106 283 HZ2 LYS 45 1HZ LYS 45 10.822 17.624 -0.008 284 HZ3 LYS 45 2HZ LYS 45 12.468 17.796 -0.356 285 H LEU 46 H LEU 46 9.011 12.633 -4.365 286 HA LEU 46 HA LEU 46 11.216 12.975 -6.175 287 HB2 LEU 46 2HB LEU 46 9.745 10.635 -5.052 288 HB3 LEU 46 1HB LEU 46 10.765 10.406 -6.459 289 HG LEU 46 HG LEU 46 11.767 11.610 -3.880 290 HD11 LEU 46 1HD1 LEU 46 10.876 9.241 -3.680 291 HD12 LEU 46 2HD1 LEU 46 12.554 9.501 -3.203 292 HD13 LEU 46 3HD1 LEU 46 12.185 8.770 -4.765 293 HD21 LEU 46 3HD2 LEU 46 13.268 10.336 -6.165 294 HD22 LEU 46 1HD2 LEU 46 13.949 11.169 -4.768 295 HD23 LEU 46 2HD2 LEU 46 13.038 12.075 -5.976 296 H ASN 47 H ASN 47 7.902 13.215 -6.602 297 HA ASN 47 HA ASN 47 6.503 13.179 -8.388 298 HB2 ASN 47 2HB ASN 47 8.151 14.860 -9.159 299 HB3 ASN 47 1HB ASN 47 9.074 13.575 -9.928 300 HD21 ASN 47 1HD2 ASN 47 5.694 14.693 -9.819 301 HD22 ASN 47 2HD2 ASN 47 5.434 14.590 -11.522 302 H VAL 48 H VAL 48 6.965 10.682 -7.502 303 HA VAL 48 HA VAL 48 7.302 9.094 -9.965 304 HB VAL 48 HB VAL 48 7.889 7.170 -8.514 305 HG11 VAL 48 1HG1 VAL 48 9.765 9.409 -7.852 306 HG12 VAL 48 2HG1 VAL 48 9.552 8.866 -9.514 307 HG13 VAL 48 3HG1 VAL 48 10.131 7.740 -8.286 308 HG21 VAL 48 3HG2 VAL 48 6.839 7.736 -6.450 309 HG22 VAL 48 1HG2 VAL 48 7.765 9.233 -6.320 310 HG23 VAL 48 2HG2 VAL 48 8.576 7.677 -6.153 311 H GLN 49 H GLN 49 4.863 10.420 -8.940 312 HA GLN 49 HA GLN 49 3.177 8.296 -7.949 313 HB2 GLN 49 2HB GLN 49 3.036 11.166 -8.114 314 HB3 GLN 49 1HB GLN 49 1.576 10.461 -8.793 315 HG2 GLN 49 2HG GLN 49 1.420 9.082 -6.680 316 HG3 GLN 49 1HG GLN 49 2.683 10.122 -6.027 317 HE21 GLN 49 1HE2 GLN 49 2.002 11.812 -4.910 318 HE22 GLN 49 2HE2 GLN 49 0.464 12.578 -5.066 319 H ASP 50 H ASP 50 4.158 9.402 -11.037 320 HA ASP 50 HA ASP 50 1.769 8.532 -12.423 321 HB2 ASP 50 2HB ASP 50 4.467 9.319 -13.552 322 HB3 ASP 50 1HB ASP 50 2.981 9.101 -14.470 323 H LYS 51 H LYS 51 5.048 7.340 -11.855 324 HA LYS 51 HA LYS 51 4.829 5.073 -13.563 325 HB2 LYS 51 2HB LYS 51 6.694 5.583 -11.236 326 HB3 LYS 51 1HB LYS 51 6.874 4.289 -12.412 327 HG2 LYS 51 2HG LYS 51 7.523 5.721 -14.096 328 HG3 LYS 51 1HG LYS 51 6.734 7.116 -13.359 329 HD2 LYS 51 2HD LYS 51 8.522 6.620 -11.451 330 HD3 LYS 51 1HD LYS 51 9.398 5.924 -12.817 331 HE2 LYS 51 2HE LYS 51 9.373 7.990 -13.992 332 HE3 LYS 51 1HE LYS 51 8.223 8.696 -12.858 333 HZ1 LYS 51 3HZ LYS 51 10.053 9.552 -11.925 334 HZ2 LYS 51 1HZ LYS 51 11.093 8.429 -12.647 335 HZ3 LYS 51 2HZ LYS 51 10.254 8.022 -11.237 336 H VAL 52 H VAL 52 3.906 5.711 -10.258 337 HA VAL 52 HA VAL 52 3.188 2.878 -9.875 338 HB VAL 52 HB VAL 52 4.739 3.847 -8.188 339 HG11 VAL 52 1HG1 VAL 52 2.654 5.427 -6.864 340 HG12 VAL 52 2HG1 VAL 52 3.243 6.107 -8.380 341 HG13 VAL 52 3HG1 VAL 52 4.373 5.759 -7.073 342 HG21 VAL 52 3HG2 VAL 52 2.961 2.049 -7.708 343 HG22 VAL 52 1HG2 VAL 52 2.115 3.326 -6.833 344 HG23 VAL 52 2HG2 VAL 52 3.737 2.843 -6.338 345 H PHE 53 H PHE 53 1.120 2.509 -8.658 346 HA PHE 53 HA PHE 53 -0.862 4.590 -9.274 347 HB2 PHE 53 2HB PHE 53 -0.808 2.116 -10.424 348 HB3 PHE 53 1HB PHE 53 -1.849 1.818 -9.036 349 HD1 PHE 53 1HD PHE 53 -3.926 3.185 -8.749 350 HD2 PHE 53 2HD PHE 53 -1.583 3.307 -12.302 351 HE1 PHE 53 1HE PHE 53 -5.829 4.162 -9.967 352 HE2 PHE 53 2HE PHE 53 -3.482 4.284 -13.524 353 HZ PHE 53 HZ PHE 53 -5.607 4.713 -12.358 354 H VAL 54 H VAL 54 -1.440 5.509 -7.475 355 HA VAL 54 HA VAL 54 -1.769 3.877 -5.047 356 HB VAL 54 HB VAL 54 -0.018 5.573 -4.835 357 HG11 VAL 54 1HG1 VAL 54 -0.649 7.289 -6.311 358 HG12 VAL 54 2HG1 VAL 54 -0.772 7.996 -4.701 359 HG13 VAL 54 3HG1 VAL 54 -2.228 7.477 -5.549 360 HG21 VAL 54 3HG2 VAL 54 -2.494 5.934 -3.174 361 HG22 VAL 54 1HG2 VAL 54 -0.987 6.776 -2.814 362 HG23 VAL 54 2HG2 VAL 54 -1.040 5.013 -2.795 363 H PHE 55 H PHE 55 -3.619 4.017 -3.859 364 HA PHE 55 HA PHE 55 -5.728 5.831 -4.792 365 HB2 PHE 55 2HB PHE 55 -5.828 3.330 -5.646 366 HB3 PHE 55 1HB PHE 55 -6.491 3.042 -4.040 367 HD1 PHE 55 1HD PHE 55 -6.962 5.088 -7.103 368 HD2 PHE 55 2HD PHE 55 -8.740 3.459 -3.595 369 HE1 PHE 55 1HE PHE 55 -9.176 5.815 -7.892 370 HE2 PHE 55 2HE PHE 55 -10.957 4.181 -4.380 371 HZ PHE 55 HZ PHE 55 -11.178 5.359 -6.530 372 H ASP 56 H ASP 56 -6.671 6.893 -3.185 373 HA ASP 56 HA ASP 56 -6.040 6.169 -0.443 374 HB2 ASP 56 2HB ASP 56 -6.848 8.598 -1.862 375 HB3 ASP 56 1HB ASP 56 -7.673 8.396 -0.321 376 H ILE 57 H ILE 57 -7.504 5.570 1.121 377 HA ILE 57 HA ILE 57 -10.039 4.539 0.126 378 HB ILE 57 HB ILE 57 -10.247 3.431 2.318 379 HG12 ILE 57 2HG1 ILE 57 -7.494 3.871 3.168 380 HG13 ILE 57 1HG1 ILE 57 -8.432 5.361 3.184 381 HG21 ILE 57 1HG2 ILE 57 -8.451 1.827 1.995 382 HG22 ILE 57 2HG2 ILE 57 -7.584 2.980 0.980 383 HG23 ILE 57 3HG2 ILE 57 -9.131 2.323 0.446 384 HD11 ILE 57 3HD1 ILE 57 -10.042 4.395 4.669 385 HD12 ILE 57 1HD1 ILE 57 -8.429 4.146 5.337 386 HD13 ILE 57 2HD1 ILE 57 -9.272 2.814 4.544 387 H GLY 58 H GLY 58 -10.263 7.163 -0.012 388 HA2 GLY 58 2HA GLY 58 -11.484 8.170 2.450 389 HA3 GLY 58 1HA GLY 58 -11.111 9.111 1.018 390 H SER 59 H SER 59 -12.771 6.067 0.667 391 HA SER 59 HA SER 59 -15.315 7.500 0.277 392 HB2 SER 59 2HB SER 59 -15.768 5.876 -1.610 393 HB3 SER 59 1HB SER 59 -14.490 7.049 -1.929 394 HG SER 59 HG SER 59 -13.134 5.461 -2.123 395 H LEU 60 H LEU 60 -14.280 5.972 2.572 396 HA LEU 60 HA LEU 60 -16.545 4.168 2.883 397 HB2 LEU 60 2HB LEU 60 -14.910 2.486 3.965 398 HB3 LEU 60 1HB LEU 60 -15.070 2.509 2.220 399 HG LEU 60 HG LEU 60 -12.916 4.197 3.358 400 HD11 LEU 60 1HD1 LEU 60 -11.568 2.571 4.145 401 HD12 LEU 60 2HD1 LEU 60 -12.200 1.354 3.036 402 HD13 LEU 60 3HD1 LEU 60 -13.102 1.775 4.491 403 HD21 LEU 60 3HD2 LEU 60 -13.636 3.504 0.858 404 HD22 LEU 60 1HD2 LEU 60 -12.450 2.243 1.198 405 HD23 LEU 60 2HD2 LEU 60 -11.993 3.941 1.316 406 HA PRO 61 HA PRO 61 -16.415 6.256 6.823 407 HB2 PRO 61 2HB PRO 61 -18.443 4.903 8.012 408 HB3 PRO 61 1HB PRO 61 -18.721 6.135 6.774 409 HG2 PRO 61 2HG PRO 61 -18.665 3.153 6.500 410 HG3 PRO 61 1HG PRO 61 -19.809 4.316 5.808 411 HD2 PRO 61 2HD PRO 61 -17.769 3.252 4.381 412 HD3 PRO 61 1HD PRO 61 -18.381 4.893 4.094 413 H ARG 62 H ARG 62 -16.634 5.393 9.238 414 HA ARG 62 HA ARG 62 -14.354 3.868 9.778 415 HB2 ARG 62 2HB ARG 62 -16.722 4.258 11.615 416 HB3 ARG 62 1HB ARG 62 -15.076 3.861 12.090 417 HG2 ARG 62 2HG ARG 62 -14.328 6.047 11.209 418 HG3 ARG 62 1HG ARG 62 -16.007 6.439 10.838 419 HD2 ARG 62 2HD ARG 62 -15.219 7.416 12.972 420 HD3 ARG 62 1HD ARG 62 -16.603 6.345 13.164 421 HE ARG 62 HE ARG 62 -13.876 5.867 14.076 422 HH11 ARG 62 1HH1 ARG 62 -17.144 4.641 13.703 423 HH12 ARG 62 2HH1 ARG 62 -16.920 3.350 14.832 424 HH21 ARG 62 1HH2 ARG 62 -13.594 4.154 15.565 425 HH22 ARG 62 2HH2 ARG 62 -14.907 3.074 15.887 426 H ASN 63 H ASN 63 -17.738 2.930 9.463 427 HA ASN 63 HA ASN 63 -17.523 0.302 10.444 428 HB2 ASN 63 2HB ASN 63 -19.468 1.780 8.740 429 HB3 ASN 63 1HB ASN 63 -19.536 0.021 8.709 430 HD21 ASN 63 1HD2 ASN 63 -20.774 -0.904 10.178 431 HD22 ASN 63 2HD2 ASN 63 -21.275 -0.196 11.671 432 H GLU 64 H GLU 64 -17.433 1.512 7.073 433 HA GLU 64 HA GLU 64 -16.967 -0.960 5.852 434 HB2 GLU 64 2HB GLU 64 -16.480 1.879 5.060 435 HB3 GLU 64 1HB GLU 64 -15.764 0.597 4.090 436 HG2 GLU 64 2HG GLU 64 -18.691 0.660 4.752 437 HG3 GLU 64 1HG GLU 64 -18.014 1.485 3.349 438 H GLN 65 H GLN 65 -14.732 1.338 7.325 439 HA GLN 65 HA GLN 65 -12.320 0.320 6.383 440 HB2 GLN 65 2HB GLN 65 -13.150 1.846 8.801 441 HB3 GLN 65 1HB GLN 65 -11.551 1.115 8.806 442 HG2 GLN 65 2HG GLN 65 -11.400 2.278 6.444 443 HG3 GLN 65 1HG GLN 65 -12.628 3.327 7.152 444 HE21 GLN 65 1HE2 GLN 65 -11.622 5.148 7.669 445 HE22 GLN 65 2HE2 GLN 65 -10.165 5.268 8.587 446 H GLU 66 H GLU 66 -14.355 -0.772 9.063 447 HA GLU 66 HA GLU 66 -12.524 -2.644 10.142 448 HB2 GLU 66 2HB GLU 66 -15.542 -2.555 10.271 449 HB3 GLU 66 1HB GLU 66 -14.541 -3.649 11.215 450 HG2 GLU 66 2HG GLU 66 -14.036 -2.081 12.717 451 HG3 GLU 66 1HG GLU 66 -13.745 -0.861 11.483 452 H LYS 67 H LYS 67 -15.375 -3.143 8.039 453 HA LYS 67 HA LYS 67 -14.993 -5.882 7.628 454 HB2 LYS 67 2HB LYS 67 -16.293 -3.852 5.800 455 HB3 LYS 67 1HB LYS 67 -16.418 -5.596 5.612 456 HG2 LYS 67 2HG LYS 67 -17.164 -4.721 8.280 457 HG3 LYS 67 1HG LYS 67 -18.145 -3.973 7.019 458 HD2 LYS 67 2HD LYS 67 -19.357 -5.853 7.082 459 HD3 LYS 67 1HD LYS 67 -18.018 -6.591 6.203 460 HE2 LYS 67 2HE LYS 67 -17.966 -6.456 9.193 461 HE3 LYS 67 1HE LYS 67 -18.908 -7.706 8.380 462 HZ1 LYS 67 3HZ LYS 67 -16.631 -7.999 7.096 463 HZ2 LYS 67 1HZ LYS 67 -16.936 -8.782 8.566 464 HZ3 LYS 67 2HZ LYS 67 -16.009 -7.367 8.537 465 H TRP 68 H TRP 68 -13.750 -3.094 5.831 466 HA TRP 68 HA TRP 68 -12.537 -4.565 3.742 467 HB2 TRP 68 2HB TRP 68 -12.995 -2.170 3.550 468 HB3 TRP 68 1HB TRP 68 -11.854 -1.832 4.846 469 HD1 TRP 68 HD TRP 68 -9.898 -0.619 3.731 470 HE1 TRP 68 1HE TRP 68 -8.391 -1.039 1.688 471 HE3 TRP 68 3HE TRP 68 -12.250 -4.739 1.801 472 HZ2 TRP 68 2HZ TRP 68 -8.217 -2.864 -0.453 473 HZ3 TRP 68 3HZ TRP 68 -11.345 -5.757 -0.248 474 HH2 TRP 68 HH TRP 68 -9.371 -4.836 -1.351 475 H ARG 69 H ARG 69 -11.386 -3.494 6.915 476 HA ARG 69 HA ARG 69 -8.674 -4.108 6.615 477 HB2 ARG 69 2HB ARG 69 -10.516 -3.785 8.930 478 HB3 ARG 69 1HB ARG 69 -8.982 -4.592 9.232 479 HG2 ARG 69 2HG ARG 69 -7.766 -2.670 8.407 480 HG3 ARG 69 1HG ARG 69 -9.280 -1.865 7.985 481 HD2 ARG 69 2HD ARG 69 -9.704 -1.264 10.118 482 HD3 ARG 69 1HD ARG 69 -9.081 -2.777 10.775 483 HE ARG 69 HE ARG 69 -7.035 -1.030 9.756 484 HH11 ARG 69 1HH1 ARG 69 -9.001 -1.800 12.553 485 HH12 ARG 69 2HH1 ARG 69 -7.871 -1.138 13.682 486 HH21 ARG 69 1HH2 ARG 69 -5.549 -0.156 11.258 487 HH22 ARG 69 2HH2 ARG 69 -5.914 -0.205 12.949 488 H ILE 70 H ILE 70 -11.381 -6.164 7.670 489 HA ILE 70 HA ILE 70 -9.796 -8.438 8.262 490 HB ILE 70 HB ILE 70 -12.692 -8.492 7.406 491 HG12 ILE 70 2HG1 ILE 70 -12.480 -6.884 9.215 492 HG13 ILE 70 1HG1 ILE 70 -13.211 -8.357 9.838 493 HG21 ILE 70 1HG2 ILE 70 -11.616 -10.341 9.441 494 HG22 ILE 70 2HG2 ILE 70 -11.050 -10.583 7.790 495 HG23 ILE 70 3HG2 ILE 70 -12.777 -10.628 8.145 496 HD11 ILE 70 3HD1 ILE 70 -11.569 -7.446 11.382 497 HD12 ILE 70 1HD1 ILE 70 -10.324 -7.567 10.139 498 HD13 ILE 70 2HD1 ILE 70 -11.072 -9.028 10.783 499 H ALA 71 H ALA 71 -11.628 -7.495 5.358 500 HA ALA 71 HA ALA 71 -11.162 -9.778 3.824 501 HB1 ALA 71 1HB ALA 71 -11.262 -7.943 1.891 502 HB2 ALA 71 2HB ALA 71 -11.876 -6.966 3.225 503 HB3 ALA 71 3HB ALA 71 -12.692 -8.465 2.781 504 H PHE 72 H PHE 72 -9.269 -6.762 4.001 505 HA PHE 72 HA PHE 72 -7.276 -7.526 2.170 506 HB2 PHE 72 2HB PHE 72 -7.838 -5.215 3.409 507 HB3 PHE 72 1HB PHE 72 -6.506 -5.755 4.430 508 HD1 PHE 72 1HD PHE 72 -7.423 -5.180 0.874 509 HD2 PHE 72 2HD PHE 72 -4.312 -5.383 3.770 510 HE1 PHE 72 1HE PHE 72 -5.816 -4.367 -0.802 511 HE2 PHE 72 2HE PHE 72 -2.700 -4.568 2.100 512 HZ PHE 72 HZ PHE 72 -3.451 -4.061 -0.189 513 H GLN 73 H GLN 73 -7.510 -7.936 5.689 514 HA GLN 73 HA GLN 73 -4.920 -8.943 6.115 515 HB2 GLN 73 2HB GLN 73 -6.862 -8.247 7.784 516 HB3 GLN 73 1HB GLN 73 -7.190 -9.973 7.751 517 HG2 GLN 73 2HG GLN 73 -4.380 -9.189 8.181 518 HG3 GLN 73 1HG GLN 73 -5.508 -8.806 9.478 519 HE21 GLN 73 1HE2 GLN 73 -3.393 -10.607 9.752 520 HE22 GLN 73 2HE2 GLN 73 -4.042 -12.188 9.998 521 H LYS 74 H LYS 74 -7.842 -10.478 4.932 522 HA LYS 74 HA LYS 74 -6.821 -13.156 5.212 523 HB2 LYS 74 2HB LYS 74 -9.327 -12.047 4.898 524 HB3 LYS 74 1HB LYS 74 -9.023 -12.781 3.334 525 HG2 LYS 74 2HG LYS 74 -8.234 -14.745 5.082 526 HG3 LYS 74 1HG LYS 74 -9.618 -14.022 5.900 527 HD2 LYS 74 2HD LYS 74 -10.962 -15.194 4.571 528 HD3 LYS 74 1HD LYS 74 -10.345 -14.285 3.192 529 HE2 LYS 74 2HE LYS 74 -9.249 -16.869 4.298 530 HE3 LYS 74 1HE LYS 74 -10.106 -16.654 2.774 531 HZ1 LYS 74 3HZ LYS 74 -7.998 -16.577 1.999 532 HZ2 LYS 74 1HZ LYS 74 -7.342 -16.023 3.457 533 HZ3 LYS 74 2HZ LYS 74 -8.121 -14.943 2.416 534 H VAL 75 H VAL 75 -6.879 -10.689 2.732 535 HA VAL 75 HA VAL 75 -6.128 -12.489 0.609 536 HB VAL 75 HB VAL 75 -6.061 -9.466 0.599 537 HG11 VAL 75 1HG1 VAL 75 -6.034 -11.504 -1.624 538 HG12 VAL 75 2HG1 VAL 75 -4.741 -10.387 -1.187 539 HG13 VAL 75 3HG1 VAL 75 -6.248 -9.769 -1.862 540 HG21 VAL 75 3HG2 VAL 75 -8.272 -9.383 0.233 541 HG22 VAL 75 1HG2 VAL 75 -8.303 -10.999 0.940 542 HG23 VAL 75 2HG2 VAL 75 -8.249 -10.804 -0.811 543 H VAL 76 H VAL 76 -4.497 -10.033 2.600 544 HA VAL 76 HA VAL 76 -1.943 -11.194 1.728 545 HB VAL 76 HB VAL 76 -0.945 -8.870 2.097 546 HG11 VAL 76 1HG1 VAL 76 -0.812 -9.404 -0.092 547 HG12 VAL 76 2HG1 VAL 76 -2.052 -8.159 -0.244 548 HG13 VAL 76 3HG1 VAL 76 -2.510 -9.861 -0.198 549 HG21 VAL 76 3HG2 VAL 76 -2.506 -6.993 1.646 550 HG22 VAL 76 1HG2 VAL 76 -2.796 -7.788 3.191 551 HG23 VAL 76 2HG2 VAL 76 -3.854 -8.117 1.820 552 H GLY 77 H GLY 77 -3.573 -9.336 4.294 553 HA2 GLY 77 2HA GLY 77 -3.395 -10.165 6.578 554 HA3 GLY 77 1HA GLY 77 -1.735 -10.613 6.219 555 H SER 78 H SER 78 -3.493 -7.571 5.596 556 HA SER 78 HA SER 78 -1.457 -6.190 7.209 557 HB2 SER 78 2HB SER 78 -3.011 -4.641 5.203 558 HB3 SER 78 1HB SER 78 -1.317 -4.503 5.667 559 HG SER 78 HG SER 78 -0.855 -6.289 4.388 560 H ARG 79 H ARG 79 -2.412 -5.973 9.157 561 HA ARG 79 HA ARG 79 -5.196 -5.120 9.325 562 HB2 ARG 79 2HB ARG 79 -4.833 -5.390 11.803 563 HB3 ARG 79 1HB ARG 79 -4.644 -6.856 10.856 564 HG2 ARG 79 2HG ARG 79 -2.476 -7.077 11.396 565 HG3 ARG 79 1HG ARG 79 -2.166 -5.344 11.289 566 HD2 ARG 79 2HD ARG 79 -1.868 -5.810 13.548 567 HD3 ARG 79 1HD ARG 79 -3.511 -5.178 13.470 568 HE ARG 79 HE ARG 79 -3.410 -8.033 13.258 569 HH11 ARG 79 1HH1 ARG 79 -3.384 -5.362 15.522 570 HH12 ARG 79 2HH1 ARG 79 -4.017 -6.301 16.830 571 HH21 ARG 79 1HH2 ARG 79 -4.246 -9.270 14.994 572 HH22 ARG 79 2HH2 ARG 79 -4.504 -8.518 16.532 573 H ASN 80 H ASN 80 -3.136 -3.291 8.286 574 HA ASN 80 HA ASN 80 -3.860 -0.981 9.830 575 HB2 ASN 80 2HB ASN 80 -1.669 -2.164 10.818 576 HB3 ASN 80 1HB ASN 80 -0.906 -1.215 9.548 577 HD21 ASN 80 1HD2 ASN 80 -2.813 -1.082 12.475 578 HD22 ASN 80 2HD2 ASN 80 -2.487 0.575 12.841 579 H LEU 81 H LEU 81 -2.578 1.020 8.897 580 HA LEU 81 HA LEU 81 -2.240 0.699 5.989 581 HB2 LEU 81 2HB LEU 81 -3.711 2.984 7.305 582 HB3 LEU 81 1HB LEU 81 -3.498 2.726 5.584 583 HG LEU 81 HG LEU 81 -4.956 0.705 7.255 584 HD11 LEU 81 1HD1 LEU 81 -5.884 3.388 6.418 585 HD12 LEU 81 2HD1 LEU 81 -6.357 2.398 7.799 586 HD13 LEU 81 3HD1 LEU 81 -6.999 2.040 6.197 587 HD21 LEU 81 3HD2 LEU 81 -4.683 -0.233 5.200 588 HD22 LEU 81 1HD2 LEU 81 -4.607 1.322 4.372 589 HD23 LEU 81 2HD2 LEU 81 -6.162 0.675 4.892 590 HA PRO 82 HA PRO 82 -1.999 2.284 4.359 591 HB2 PRO 82 2HB PRO 82 -0.023 2.794 2.625 592 HB3 PRO 82 1HB PRO 82 -0.881 4.099 3.452 593 HG2 PRO 82 2HG PRO 82 1.793 2.905 4.061 594 HG3 PRO 82 1HG PRO 82 1.302 4.609 4.061 595 HD2 PRO 82 2HD PRO 82 1.498 3.056 6.322 596 HD3 PRO 82 1HD PRO 82 0.462 4.486 6.184 597 H THR 83 H THR 83 -1.257 0.952 2.317 598 HA THR 83 HA THR 83 0.333 -1.371 3.176 599 HB THR 83 HB THR 83 -1.289 -2.873 2.112 600 HG1 THR 83 1HG THR 83 -3.256 -2.044 1.381 601 HG21 THR 83 3HG2 THR 83 -2.417 -3.064 4.000 602 HG22 THR 83 1HG2 THR 83 -3.291 -1.568 3.683 603 HG23 THR 83 2HG2 THR 83 -1.740 -1.520 4.518 604 H ILE 84 H ILE 84 1.804 -2.053 1.708 605 HA ILE 84 HA ILE 84 1.631 -0.911 -1.006 606 HB ILE 84 HB ILE 84 4.150 -1.811 0.387 607 HG12 ILE 84 2HG1 ILE 84 3.375 1.062 -0.083 608 HG13 ILE 84 1HG1 ILE 84 2.933 0.226 1.402 609 HG21 ILE 84 1HG2 ILE 84 4.683 -1.881 -1.832 610 HG22 ILE 84 2HG2 ILE 84 5.049 -0.191 -1.484 611 HG23 ILE 84 3HG2 ILE 84 3.528 -0.622 -2.267 612 HD11 ILE 84 3HD1 ILE 84 5.708 0.746 0.369 613 HD12 ILE 84 1HD1 ILE 84 5.339 -0.250 1.777 614 HD13 ILE 84 2HD1 ILE 84 4.935 1.467 1.781 615 H VAL 85 H VAL 85 0.962 -2.393 -2.418 616 HA VAL 85 HA VAL 85 1.948 -5.156 -2.130 617 HB VAL 85 HB VAL 85 0.004 -5.827 -3.556 618 HG11 VAL 85 1HG1 VAL 85 0.089 -5.911 -1.021 619 HG12 VAL 85 2HG1 VAL 85 -1.510 -5.958 -1.761 620 HG13 VAL 85 3HG1 VAL 85 -0.916 -4.461 -1.041 621 HG21 VAL 85 3HG2 VAL 85 -0.475 -3.669 -4.589 622 HG22 VAL 85 1HG2 VAL 85 -0.940 -3.009 -3.020 623 HG23 VAL 85 2HG2 VAL 85 -1.897 -4.296 -3.755 624 H VAL 86 H VAL 86 3.205 -5.964 -3.680 625 HA VAL 86 HA VAL 86 3.385 -4.518 -6.248 626 HB VAL 86 HB VAL 86 5.678 -5.906 -4.857 627 HG11 VAL 86 1HG1 VAL 86 6.976 -5.389 -6.627 628 HG12 VAL 86 2HG1 VAL 86 6.149 -3.861 -6.927 629 HG13 VAL 86 3HG1 VAL 86 5.439 -5.374 -7.489 630 HG21 VAL 86 3HG2 VAL 86 4.874 -3.910 -3.609 631 HG22 VAL 86 1HG2 VAL 86 5.183 -2.937 -5.048 632 HG23 VAL 86 2HG2 VAL 86 6.517 -3.746 -4.226 633 H ASN 87 H ASN 87 2.761 -5.735 -7.904 634 HA ASN 87 HA ASN 87 2.413 -7.499 -9.287 635 HB2 ASN 87 2HB ASN 87 4.944 -7.919 -8.274 636 HB3 ASN 87 1HB ASN 87 4.136 -9.443 -7.930 637 HD21 ASN 87 1HD2 ASN 87 4.660 -7.101 -10.536 638 HD22 ASN 87 2HD2 ASN 87 4.717 -8.271 -11.806 639 H GLY 88 H GLY 88 0.630 -7.144 -7.177 640 HA2 GLY 88 2HA GLY 88 -1.128 -8.212 -6.156 641 HA3 GLY 88 1HA GLY 88 -0.740 -9.598 -7.159 642 H LYS 89 H LYS 89 1.005 -7.967 -4.532 643 HA LYS 89 HA LYS 89 0.577 -9.943 -2.596 644 HB2 LYS 89 2HB LYS 89 2.946 -10.861 -2.563 645 HB3 LYS 89 1HB LYS 89 1.899 -11.460 -3.841 646 HG2 LYS 89 2HG LYS 89 2.940 -9.781 -5.371 647 HG3 LYS 89 1HG LYS 89 4.089 -9.411 -4.084 648 HD2 LYS 89 2HD LYS 89 4.252 -12.129 -4.204 649 HD3 LYS 89 1HD LYS 89 3.947 -11.716 -5.894 650 HE2 LYS 89 2HE LYS 89 5.858 -9.881 -4.878 651 HE3 LYS 89 1HE LYS 89 6.370 -11.501 -4.411 652 HZ1 LYS 89 3HZ LYS 89 6.692 -12.117 -6.562 653 HZ2 LYS 89 1HZ LYS 89 7.000 -10.461 -6.729 654 HZ3 LYS 89 2HZ LYS 89 5.495 -11.091 -7.175 655 H PHE 90 H PHE 90 1.149 -9.190 -0.653 656 HA PHE 90 HA PHE 90 1.964 -6.528 -0.302 657 HB2 PHE 90 2HB PHE 90 0.660 -8.089 1.291 658 HB3 PHE 90 1HB PHE 90 2.242 -8.626 1.839 659 HD1 PHE 90 1HD PHE 90 0.330 -5.468 1.271 660 HD2 PHE 90 2HD PHE 90 3.194 -7.556 3.625 661 HE1 PHE 90 1HE PHE 90 0.424 -3.574 2.838 662 HE2 PHE 90 2HE PHE 90 3.291 -5.666 5.194 663 HZ PHE 90 HZ PHE 90 1.904 -3.671 4.801 664 H TRP 91 H TRP 91 3.883 -5.871 -1.029 665 HA TRP 91 HA TRP 91 6.282 -7.389 -0.264 666 HB2 TRP 91 2HB TRP 91 5.906 -6.951 -2.699 667 HB3 TRP 91 1HB TRP 91 6.041 -5.229 -2.368 668 HD1 TRP 91 HD TRP 91 8.314 -4.426 -3.203 669 HE1 TRP 91 1HE TRP 91 10.734 -5.295 -3.104 670 HE3 TRP 91 3HE TRP 91 7.486 -8.910 -0.876 671 HZ2 TRP 91 2HZ TRP 91 12.112 -7.571 -2.170 672 HZ3 TRP 91 3HZ TRP 91 9.412 -10.371 -0.418 673 HH2 TRP 91 HH TRP 91 11.676 -9.714 -1.052 674 H GLY 92 H GLY 92 4.694 -4.263 0.021 675 HA2 GLY 92 2HA GLY 92 6.944 -3.386 1.734 676 HA3 GLY 92 1HA GLY 92 6.050 -2.279 0.706 677 H THR 93 H THR 93 6.497 -2.333 3.659 678 HA THR 93 HA THR 93 3.666 -2.347 4.484 679 HB THR 93 HB THR 93 5.759 -2.583 6.571 680 HG1 THR 93 1HG THR 93 5.160 -4.683 4.767 681 HG21 THR 93 3HG2 THR 93 4.012 -3.153 7.777 682 HG22 THR 93 1HG2 THR 93 3.776 -4.576 6.764 683 HG23 THR 93 2HG2 THR 93 2.976 -3.058 6.353 684 H GLU 94 H GLU 94 3.373 -0.938 6.539 685 HA GLU 94 HA GLU 94 4.032 1.737 5.861 686 HB2 GLU 94 2HB GLU 94 2.926 2.331 7.993 687 HB3 GLU 94 1HB GLU 94 1.953 1.255 7.005 688 HG2 GLU 94 2HG GLU 94 1.908 -0.322 8.576 689 HG3 GLU 94 1HG GLU 94 3.633 -0.186 8.890 690 H SER 95 H SER 95 5.335 -0.574 8.184 691 HA SER 95 HA SER 95 7.127 1.378 9.351 692 HB2 SER 95 2HB SER 95 6.875 -1.606 9.784 693 HB3 SER 95 1HB SER 95 7.960 -0.549 10.686 694 HG SER 95 HG SER 95 6.328 0.167 11.813 695 H GLN 96 H GLN 96 7.254 -1.136 6.911 696 HA GLN 96 HA GLN 96 9.960 -1.653 6.762 697 HB2 GLN 96 2HB GLN 96 8.224 -2.804 5.439 698 HB3 GLN 96 1HB GLN 96 8.048 -1.367 4.440 699 HG2 GLN 96 2HG GLN 96 9.742 -1.964 3.151 700 HG3 GLN 96 1HG GLN 96 10.802 -2.188 4.542 701 HE21 GLN 96 1HE2 GLN 96 7.855 -3.880 3.499 702 HE22 GLN 96 2HE2 GLN 96 8.576 -5.446 3.436 703 H LEU 97 H LEU 97 8.203 1.166 5.572 704 HA LEU 97 HA LEU 97 10.321 2.241 4.022 705 HB2 LEU 97 2HB LEU 97 8.129 3.830 5.346 706 HB3 LEU 97 1HB LEU 97 9.040 4.252 3.910 707 HG LEU 97 HG LEU 97 7.075 1.964 4.100 708 HD11 LEU 97 1HD1 LEU 97 5.449 3.290 3.255 709 HD12 LEU 97 2HD1 LEU 97 6.582 4.317 2.377 710 HD13 LEU 97 3HD1 LEU 97 6.359 4.532 4.113 711 HD21 LEU 97 3HD2 LEU 97 8.428 1.277 2.397 712 HD22 LEU 97 1HD2 LEU 97 8.942 2.914 1.992 713 HD23 LEU 97 2HD2 LEU 97 7.350 2.341 1.494 714 H HIS 98 H HIS 98 9.119 3.226 7.256 715 HA HIS 98 HA HIS 98 11.218 5.030 7.774 716 HB2 HIS 98 2HB HIS 98 8.879 4.418 9.025 717 HB3 HIS 98 1HB HIS 98 10.039 3.684 10.123 718 HD1 HIS 98 1HD HIS 98 10.694 6.926 8.294 719 HD2 HIS 98 2HD HIS 98 9.788 5.575 12.120 720 HE1 HIS 98 1HE HIS 98 10.960 8.925 9.794 721 HE2 HIS 98 2HE HIS 98 10.331 8.102 12.091 722 H ARG 99 H ARG 99 10.952 1.556 8.277 723 HA ARG 99 HA ARG 99 13.209 1.300 9.980 724 HB2 ARG 99 2HB ARG 99 11.574 -0.606 8.346 725 HB3 ARG 99 1HB ARG 99 13.082 -1.147 9.064 726 HG2 ARG 99 2HG ARG 99 11.784 0.110 11.154 727 HG3 ARG 99 1HG ARG 99 10.489 -0.714 10.283 728 HD2 ARG 99 2HD ARG 99 11.682 -2.818 10.432 729 HD3 ARG 99 1HD ARG 99 13.050 -2.017 11.207 730 HE ARG 99 HE ARG 99 10.921 -1.457 12.826 731 HH11 ARG 99 1HH1 ARG 99 12.374 -4.414 11.618 732 HH12 ARG 99 2HH1 ARG 99 11.918 -5.346 13.003 733 HH21 ARG 99 1HH2 ARG 99 10.330 -2.697 14.648 734 HH22 ARG 99 2HH2 ARG 99 10.759 -4.373 14.720 735 H PHE 100 H PHE 100 12.764 1.052 6.480 736 HA PHE 100 HA PHE 100 15.506 0.323 5.998 737 HB2 PHE 100 2HB PHE 100 13.163 0.978 4.245 738 HB3 PHE 100 1HB PHE 100 14.781 0.909 3.559 739 HD1 PHE 100 2HD PHE 100 13.016 -1.194 6.095 740 HD2 PHE 100 1HD PHE 100 15.017 -1.022 2.342 741 HE1 PHE 100 2HE PHE 100 12.822 -3.635 5.884 742 HE2 PHE 100 1HE PHE 100 14.823 -3.464 2.124 743 HZ PHE 100 HZ PHE 100 13.727 -4.774 3.897 744 H GLU 101 H GLU 101 13.609 3.295 5.912 745 HA GLU 101 HA GLU 101 15.412 4.962 4.582 746 HB2 GLU 101 2HB GLU 101 12.953 5.335 5.584 747 HB3 GLU 101 1HB GLU 101 13.884 6.105 6.860 748 HG2 GLU 101 2HG GLU 101 14.156 6.811 3.950 749 HG3 GLU 101 1HG GLU 101 13.058 7.625 5.062 750 H ALA 102 H ALA 102 15.158 4.161 8.018 751 HA ALA 102 HA ALA 102 17.059 5.883 9.070 752 HB1 ALA 102 1HB ALA 102 15.468 4.143 10.211 753 HB2 ALA 102 2HB ALA 102 16.972 4.626 10.993 754 HB3 ALA 102 3HB ALA 102 16.883 3.095 10.121 755 H LYS 103 H LYS 103 17.545 2.606 7.755 756 HA LYS 103 HA LYS 103 20.368 2.621 8.144 757 HB2 LYS 103 2HB LYS 103 18.474 0.882 6.586 758 HB3 LYS 103 1HB LYS 103 20.213 0.659 6.480 759 HG2 LYS 103 2HG LYS 103 20.088 0.566 9.076 760 HG3 LYS 103 1HG LYS 103 18.385 0.203 8.788 761 HD2 LYS 103 2HD LYS 103 20.264 -1.329 7.130 762 HD3 LYS 103 1HD LYS 103 20.380 -1.650 8.860 763 HE2 LYS 103 2HE LYS 103 18.049 -2.210 8.972 764 HE3 LYS 103 1HE LYS 103 17.804 -1.708 7.299 765 HZ1 LYS 103 3HZ LYS 103 19.809 -3.774 7.758 766 HZ2 LYS 103 1HZ LYS 103 18.688 -3.611 6.501 767 HZ3 LYS 103 2HZ LYS 103 18.197 -4.226 7.997 768 H GLY 104 H GLY 104 18.236 3.666 5.577 769 HA2 GLY 104 2HA GLY 104 18.885 5.245 3.933 770 HA3 GLY 104 1HA GLY 104 20.552 4.728 4.131 771 H THR 105 H THR 105 17.993 2.376 3.803 772 HA THR 105 HA THR 105 19.012 1.704 1.121 773 HB THR 105 HB THR 105 18.059 -0.600 1.666 774 HG1 THR 105 1HG THR 105 16.783 -0.090 3.429 775 HG21 THR 105 3HG2 THR 105 20.290 -0.810 1.823 776 HG22 THR 105 1HG2 THR 105 19.947 -0.904 3.550 777 HG23 THR 105 2HG2 THR 105 20.466 0.624 2.835 778 H LEU 106 H LEU 106 16.698 3.536 2.042 779 HA LEU 106 HA LEU 106 14.277 2.314 1.213 780 HB2 LEU 106 2HB LEU 106 14.822 4.576 2.528 781 HB3 LEU 106 1HB LEU 106 14.651 5.255 0.922 782 HG LEU 106 HG LEU 106 12.578 5.398 2.250 783 HD11 LEU 106 1HD1 LEU 106 12.786 4.894 -0.358 784 HD12 LEU 106 2HD1 LEU 106 11.235 5.075 0.459 785 HD13 LEU 106 3HD1 LEU 106 11.872 3.464 0.124 786 HD21 LEU 106 3HD2 LEU 106 12.075 2.493 1.964 787 HD22 LEU 106 1HD2 LEU 106 11.511 3.632 3.187 788 HD23 LEU 106 2HD2 LEU 106 13.157 3.003 3.259 789 H GLU 107 H GLU 107 16.511 4.556 -0.445 790 HA GLU 107 HA GLU 107 15.122 4.494 -2.922 791 HB2 GLU 107 2HB GLU 107 17.759 5.506 -1.985 792 HB3 GLU 107 1HB GLU 107 17.555 5.257 -3.713 793 HG2 GLU 107 2HG GLU 107 16.322 7.090 -3.931 794 HG3 GLU 107 1HG GLU 107 15.304 6.661 -2.558 795 H GLU 108 H GLU 108 17.813 2.625 -1.599 796 HA GLU 108 HA GLU 108 18.575 1.302 -3.956 797 HB2 GLU 108 2HB GLU 108 19.651 1.364 -1.541 798 HB3 GLU 108 1HB GLU 108 18.716 -0.110 -1.325 799 HG2 GLU 108 2HG GLU 108 20.005 -0.390 -3.789 800 HG3 GLU 108 1HG GLU 108 21.204 0.295 -2.695 801 H GLU 109 H GLU 109 16.192 0.449 -1.464 802 HA GLU 109 HA GLU 109 15.472 -2.049 -2.571 803 HB2 GLU 109 2HB GLU 109 14.963 -1.349 -0.240 804 HB3 GLU 109 1HB GLU 109 13.780 -0.211 -0.865 805 HG2 GLU 109 2HG GLU 109 12.508 -2.038 -0.205 806 HG3 GLU 109 1HG GLU 109 12.665 -2.242 -1.947 807 H LEU 110 H LEU 110 14.172 1.227 -3.009 808 HA LEU 110 HA LEU 110 11.984 0.476 -4.641 809 HB2 LEU 110 2HB LEU 110 12.765 2.792 -3.459 810 HB3 LEU 110 1HB LEU 110 13.171 3.128 -5.131 811 HG LEU 110 HG LEU 110 10.821 2.569 -5.761 812 HD11 LEU 110 1HD1 LEU 110 9.920 2.879 -2.968 813 HD12 LEU 110 2HD1 LEU 110 10.636 1.324 -3.388 814 HD13 LEU 110 3HD1 LEU 110 9.240 1.921 -4.285 815 HD21 LEU 110 3HD2 LEU 110 9.903 4.637 -4.324 816 HD22 LEU 110 1HD2 LEU 110 10.982 4.825 -5.705 817 HD23 LEU 110 2HD2 LEU 110 11.635 4.850 -4.068 818 H THR 111 H THR 111 15.366 0.967 -5.326 819 HA THR 111 HA THR 111 15.017 1.185 -8.177 820 HB THR 111 HB THR 111 17.528 0.629 -6.574 821 HG1 THR 111 1HG THR 111 16.882 2.623 -5.983 822 HG21 THR 111 3HG2 THR 111 17.110 1.382 -9.443 823 HG22 THR 111 1HG2 THR 111 18.077 0.069 -8.774 824 HG23 THR 111 2HG2 THR 111 18.611 1.740 -8.592 825 H LYS 112 H LYS 112 15.718 -1.362 -5.849 826 HA LYS 112 HA LYS 112 16.463 -3.371 -7.702 827 HB2 LYS 112 2HB LYS 112 16.497 -3.174 -4.989 828 HB3 LYS 112 1HB LYS 112 15.120 -4.239 -5.219 829 HG2 LYS 112 2HG LYS 112 17.755 -4.787 -6.539 830 HG3 LYS 112 1HG LYS 112 17.427 -5.290 -4.881 831 HD2 LYS 112 2HD LYS 112 15.392 -5.980 -6.924 832 HD3 LYS 112 1HD LYS 112 16.924 -6.849 -6.996 833 HE2 LYS 112 2HE LYS 112 15.650 -8.192 -5.604 834 HE3 LYS 112 1HE LYS 112 16.565 -7.214 -4.460 835 HZ1 LYS 112 3HZ LYS 112 13.962 -6.185 -5.298 836 HZ2 LYS 112 1HZ LYS 112 14.722 -6.110 -3.786 837 HZ3 LYS 112 2HZ LYS 112 13.958 -7.535 -4.280 838 H ILE 113 H ILE 113 13.340 -2.461 -6.270 839 HA ILE 113 HA ILE 113 11.856 -4.628 -7.312 840 HB ILE 113 HB ILE 113 9.844 -3.165 -6.987 841 HG12 ILE 113 2HG1 ILE 113 11.767 -1.195 -5.751 842 HG13 ILE 113 1HG1 ILE 113 11.158 -1.019 -7.392 843 HG21 ILE 113 1HG2 ILE 113 9.773 -3.651 -4.777 844 HG22 ILE 113 2HG2 ILE 113 11.369 -2.975 -4.456 845 HG23 ILE 113 3HG2 ILE 113 11.220 -4.570 -5.195 846 HD11 ILE 113 3HD1 ILE 113 9.590 -0.966 -4.835 847 HD12 ILE 113 1HD1 ILE 113 8.847 -1.057 -6.432 848 HD13 ILE 113 2HD1 ILE 113 9.827 0.342 -5.994 849 H GLY 114 H GLY 114 12.975 -1.681 -8.776 850 HA2 GLY 114 2HA GLY 114 13.111 -1.516 -11.161 851 HA3 GLY 114 1HA GLY 114 11.658 -2.497 -11.274 852 H LEU 115 H LEU 115 11.791 0.098 -8.953 853 HA LEU 115 HA LEU 115 9.791 1.542 -10.545 854 HB2 LEU 115 2HB LEU 115 9.386 0.755 -8.122 855 HB3 LEU 115 1HB LEU 115 10.434 2.079 -7.661 856 HG LEU 115 HG LEU 115 8.087 2.641 -9.425 857 HD11 LEU 115 1HD1 LEU 115 7.142 3.179 -6.913 858 HD12 LEU 115 2HD1 LEU 115 7.955 1.629 -6.692 859 HD13 LEU 115 3HD1 LEU 115 6.688 1.794 -7.906 860 HD21 LEU 115 3HD2 LEU 115 8.469 4.787 -8.883 861 HD22 LEU 115 1HD2 LEU 115 10.070 4.203 -8.433 862 HD23 LEU 115 2HD2 LEU 115 8.828 4.407 -7.199 863 H LEU 116 H LEU 116 12.580 2.223 -8.426 864 HA LEU 116 HA LEU 116 12.867 4.873 -9.594 865 HB2 LEU 116 2HB LEU 116 13.457 3.740 -7.099 866 HB3 LEU 116 1HB LEU 116 15.014 4.092 -7.822 867 HG LEU 116 HG LEU 116 14.164 5.914 -6.378 868 HD11 LEU 116 1HD1 LEU 116 15.720 6.306 -8.287 869 HD12 LEU 116 2HD1 LEU 116 14.738 7.704 -7.848 870 HD13 LEU 116 3HD1 LEU 116 14.321 6.745 -9.267 871 HD21 LEU 116 3HD2 LEU 116 11.733 5.409 -7.431 872 HD22 LEU 116 1HD2 LEU 116 12.215 6.803 -8.398 873 HD23 LEU 116 2HD2 LEU 116 12.167 6.923 -6.640 874 HA PRO 117 HA PRO 117 15.684 3.036 -12.614 875 HB2 PRO 117 2HB PRO 117 15.952 5.276 -14.130 876 HB3 PRO 117 1HB PRO 117 14.557 4.197 -14.243 877 HG2 PRO 117 2HG PRO 117 14.834 6.793 -12.784 878 HG3 PRO 117 1HG PRO 117 13.479 6.196 -13.757 879 HD2 PRO 117 2HD PRO 117 13.484 6.118 -11.047 880 HD3 PRO 117 1HD PRO 117 12.651 4.904 -12.039 Start of MODEL 16 1 H MET 9 1HT MET 9 -21.326 -9.568 -0.531 2 HA MET 9 HA MET 9 -19.634 -10.927 0.235 3 HB2 MET 9 2HB MET 9 -21.341 -13.071 -0.986 4 HB3 MET 9 1HB MET 9 -19.617 -13.344 -0.793 5 HG2 MET 9 2HG MET 9 -19.748 -13.500 1.460 6 HG3 MET 9 1HG MET 9 -21.076 -12.346 1.574 7 HE1 MET 9 2HE MET 9 -22.692 -15.318 3.297 8 HE2 MET 9 3HE MET 9 -23.123 -13.636 2.994 9 HE3 MET 9 1HE MET 9 -21.482 -14.051 3.493 10 H SER 10 H SER 10 -17.771 -11.806 -1.038 11 HA SER 10 HA SER 10 -16.229 -11.490 -2.666 12 HB2 SER 10 2HB SER 10 -16.749 -12.323 -4.787 13 HB3 SER 10 1HB SER 10 -17.883 -13.149 -3.722 14 HG SER 10 HG SER 10 -18.347 -11.112 -5.594 15 H ALA 11 H ALA 11 -17.835 -9.102 -1.754 16 HA ALA 11 HA ALA 11 -17.740 -7.386 -4.109 17 HB1 ALA 11 1HB ALA 11 -19.614 -6.749 -2.992 18 HB2 ALA 11 2HB ALA 11 -18.465 -5.680 -2.187 19 HB3 ALA 11 3HB ALA 11 -18.958 -7.188 -1.415 20 H PHE 12 H PHE 12 -15.877 -8.163 -1.311 21 HA PHE 12 HA PHE 12 -14.003 -5.976 -1.940 22 HB2 PHE 12 2HB PHE 12 -15.316 -6.313 0.445 23 HB3 PHE 12 1HB PHE 12 -13.797 -7.144 0.752 24 HD1 PHE 12 2HD PHE 12 -11.646 -5.800 0.028 25 HD2 PHE 12 1HD PHE 12 -15.443 -4.062 0.847 26 HE1 PHE 12 2HE PHE 12 -10.557 -3.640 0.475 27 HE2 PHE 12 1HE PHE 12 -14.362 -1.899 1.295 28 HZ PHE 12 HZ PHE 12 -11.915 -1.687 1.111 29 H VAL 13 H VAL 13 -14.364 -9.362 -0.997 30 HA VAL 13 HA VAL 13 -11.641 -10.023 -0.800 31 HB VAL 13 HB VAL 13 -13.774 -11.924 -1.779 32 HG11 VAL 13 1HG1 VAL 13 -12.405 -13.637 -1.006 33 HG12 VAL 13 2HG1 VAL 13 -11.476 -12.559 0.036 34 HG13 VAL 13 3HG1 VAL 13 -11.260 -12.497 -1.713 35 HG21 VAL 13 3HG2 VAL 13 -14.885 -11.338 0.103 36 HG22 VAL 13 1HG2 VAL 13 -13.452 -10.644 0.860 37 HG23 VAL 13 2HG2 VAL 13 -13.699 -12.389 0.878 38 H THR 14 H THR 14 -13.877 -10.490 -3.556 39 HA THR 14 HA THR 14 -11.812 -11.284 -5.350 40 HB THR 14 HB THR 14 -14.546 -10.202 -6.053 41 HG1 THR 14 1HG THR 14 -15.169 -12.411 -6.007 42 HG21 THR 14 3HG2 THR 14 -12.493 -11.745 -7.556 43 HG22 THR 14 1HG2 THR 14 -13.512 -10.406 -8.084 44 HG23 THR 14 2HG2 THR 14 -14.203 -12.017 -7.888 45 H LYS 15 H LYS 15 -13.453 -8.218 -4.684 46 HA LYS 15 HA LYS 15 -12.425 -6.716 -6.804 47 HB2 LYS 15 2HB LYS 15 -13.930 -6.211 -4.445 48 HB3 LYS 15 1HB LYS 15 -12.605 -5.057 -4.483 49 HG2 LYS 15 2HG LYS 15 -14.286 -3.946 -5.607 50 HG3 LYS 15 1HG LYS 15 -13.336 -4.641 -6.923 51 HD2 LYS 15 2HD LYS 15 -15.079 -5.831 -7.640 52 HD3 LYS 15 1HD LYS 15 -15.357 -6.495 -6.027 53 HE2 LYS 15 2HE LYS 15 -16.349 -4.081 -5.599 54 HE3 LYS 15 1HE LYS 15 -16.570 -4.119 -7.348 55 HZ1 LYS 15 3HZ LYS 15 -18.180 -5.669 -7.199 56 HZ2 LYS 15 1HZ LYS 15 -18.353 -5.070 -5.625 57 HZ3 LYS 15 2HZ LYS 15 -17.462 -6.480 -5.901 58 H ALA 16 H ALA 16 -11.046 -7.480 -3.647 59 HA ALA 16 HA ALA 16 -8.824 -5.744 -3.783 60 HB1 ALA 16 1HB ALA 16 -7.819 -7.374 -2.105 61 HB2 ALA 16 2HB ALA 16 -9.332 -8.271 -2.237 62 HB3 ALA 16 3HB ALA 16 -9.343 -6.607 -1.657 63 H GLU 17 H GLU 17 -9.158 -9.195 -4.600 64 HA GLU 17 HA GLU 17 -6.496 -9.535 -5.482 65 HB2 GLU 17 2HB GLU 17 -8.952 -11.108 -6.281 66 HB3 GLU 17 1HB GLU 17 -7.284 -11.622 -6.492 67 HG2 GLU 17 2HG GLU 17 -7.596 -10.960 -3.769 68 HG3 GLU 17 1HG GLU 17 -8.990 -11.936 -4.229 69 H GLU 18 H GLU 18 -9.459 -8.568 -7.156 70 HA GLU 18 HA GLU 18 -8.404 -8.700 -9.780 71 HB2 GLU 18 2HB GLU 18 -10.853 -7.850 -8.529 72 HB3 GLU 18 1HB GLU 18 -10.344 -6.651 -9.711 73 HG2 GLU 18 2HG GLU 18 -10.655 -9.592 -10.271 74 HG3 GLU 18 1HG GLU 18 -11.855 -8.356 -10.644 75 H MET 19 H MET 19 -8.440 -6.161 -7.329 76 HA MET 19 HA MET 19 -7.525 -4.058 -8.968 77 HB2 MET 19 2HB MET 19 -8.121 -4.466 -6.202 78 HB3 MET 19 1HB MET 19 -6.565 -3.657 -6.329 79 HG2 MET 19 2HG MET 19 -7.471 -1.743 -7.085 80 HG3 MET 19 1HG MET 19 -8.699 -2.575 -8.039 81 HE1 MET 19 3HE MET 19 -10.502 -0.874 -7.490 82 HE2 MET 19 1HE MET 19 -9.493 0.117 -6.436 83 HE3 MET 19 2HE MET 19 -11.066 -0.450 -5.875 84 H ILE 20 H ILE 20 -5.749 -6.339 -6.873 85 HA ILE 20 HA ILE 20 -3.198 -5.230 -7.463 86 HB ILE 20 HB ILE 20 -2.314 -7.327 -6.452 87 HG12 ILE 20 2HG1 ILE 20 -5.178 -7.989 -5.796 88 HG13 ILE 20 1HG1 ILE 20 -4.340 -8.706 -7.167 89 HG21 ILE 20 1HG2 ILE 20 -2.454 -5.676 -4.885 90 HG22 ILE 20 2HG2 ILE 20 -3.542 -6.869 -4.175 91 HG23 ILE 20 3HG2 ILE 20 -4.200 -5.499 -5.071 92 HD11 ILE 20 3HD1 ILE 20 -4.432 -9.987 -4.941 93 HD12 ILE 20 1HD1 ILE 20 -3.174 -8.863 -4.423 94 HD13 ILE 20 2HD1 ILE 20 -2.902 -9.909 -5.816 95 H LYS 21 H LYS 21 -5.293 -7.321 -9.175 96 HA LYS 21 HA LYS 21 -3.474 -8.960 -10.528 97 HB2 LYS 21 2HB LYS 21 -6.172 -8.757 -10.476 98 HB3 LYS 21 1HB LYS 21 -5.839 -8.038 -12.044 99 HG2 LYS 21 2HG LYS 21 -4.282 -10.309 -12.057 100 HG3 LYS 21 1HG LYS 21 -5.737 -10.817 -11.199 101 HD2 LYS 21 2HD LYS 21 -6.798 -9.408 -13.275 102 HD3 LYS 21 1HD LYS 21 -5.358 -10.102 -14.022 103 HE2 LYS 21 2HE LYS 21 -6.234 -12.285 -12.797 104 HE3 LYS 21 1HE LYS 21 -7.777 -11.443 -12.937 105 HZ1 LYS 21 3HZ LYS 21 -7.301 -11.208 -15.349 106 HZ2 LYS 21 1HZ LYS 21 -7.498 -12.812 -14.846 107 HZ3 LYS 21 2HZ LYS 21 -5.948 -12.204 -15.146 108 H SER 22 H SER 22 -5.111 -6.057 -11.835 109 HA SER 22 HA SER 22 -3.044 -5.801 -13.864 110 HB2 SER 22 2HB SER 22 -5.757 -4.646 -13.444 111 HB3 SER 22 1HB SER 22 -4.605 -3.698 -14.385 112 HG SER 22 HG SER 22 -5.997 -5.884 -15.112 113 H HIS 23 H HIS 23 -3.723 -4.524 -10.763 114 HA HIS 23 HA HIS 23 -1.710 -2.424 -11.202 115 HB2 HIS 23 2HB HIS 23 -4.365 -2.270 -9.876 116 HB3 HIS 23 1HB HIS 23 -3.043 -1.394 -9.111 117 HD1 HIS 23 1HD HIS 23 -5.297 -1.346 -12.052 118 HD2 HIS 23 2HD HIS 23 -1.983 0.743 -10.660 119 HE1 HIS 23 1HE HIS 23 -5.178 0.739 -13.455 120 HE2 HIS 23 2HE HIS 23 -3.203 2.018 -12.553 121 HA PRO 24 HA PRO 24 -0.312 -5.460 -7.943 122 HB2 PRO 24 2HB PRO 24 2.223 -5.692 -8.904 123 HB3 PRO 24 1HB PRO 24 0.882 -6.706 -9.447 124 HG2 PRO 24 2HG PRO 24 2.058 -4.272 -10.736 125 HG3 PRO 24 1HG PRO 24 1.563 -5.806 -11.477 126 HD2 PRO 24 2HD PRO 24 0.015 -3.598 -11.576 127 HD3 PRO 24 1HD PRO 24 -0.671 -5.233 -11.480 128 H TYR 25 H TYR 25 0.882 -2.424 -9.197 129 HA TYR 25 HA TYR 25 2.560 -1.984 -6.844 130 HB2 TYR 25 2HB TYR 25 2.302 -0.723 -9.527 131 HB3 TYR 25 1HB TYR 25 2.803 0.318 -8.202 132 HD1 TYR 25 2HD TYR 25 4.721 -0.810 -6.669 133 HD2 TYR 25 1HD TYR 25 3.980 -1.705 -10.763 134 HE1 TYR 25 2HE TYR 25 7.035 -1.605 -6.908 135 HE2 TYR 25 1HE TYR 25 6.294 -2.503 -11.013 136 HH TYR 25 HH TYR 25 8.251 -3.292 -8.525 137 H PHE 26 H PHE 26 0.401 -2.130 -5.633 138 HA PHE 26 HA PHE 26 -0.921 0.498 -5.576 139 HB2 PHE 26 2HB PHE 26 -2.149 -1.855 -5.932 140 HB3 PHE 26 1HB PHE 26 -2.136 -1.822 -4.171 141 HD1 PHE 26 1HD PHE 26 -3.409 -0.160 -2.947 142 HD2 PHE 26 2HD PHE 26 -3.464 -0.277 -7.203 143 HE1 PHE 26 1HE PHE 26 -5.387 1.305 -2.960 144 HE2 PHE 26 2HE PHE 26 -5.441 1.187 -7.221 145 HZ PHE 26 HZ PHE 26 -6.405 1.979 -5.098 146 H GLN 27 H GLN 27 -0.673 1.755 -3.858 147 HA GLN 27 HA GLN 27 0.534 0.591 -1.434 148 HB2 GLN 27 2HB GLN 27 0.765 3.355 -2.627 149 HB3 GLN 27 1HB GLN 27 1.314 2.963 -1.004 150 HG2 GLN 27 2HG GLN 27 2.924 1.406 -1.865 151 HG3 GLN 27 1HG GLN 27 2.301 1.605 -3.501 152 HE21 GLN 27 1HE2 GLN 27 4.947 2.168 -2.047 153 HE22 GLN 27 2HE2 GLN 27 5.356 3.762 -2.570 154 H LEU 28 H LEU 28 -0.896 0.347 0.155 155 HA LEU 28 HA LEU 28 -3.269 2.030 0.272 156 HB2 LEU 28 2HB LEU 28 -2.975 -0.600 0.708 157 HB3 LEU 28 1HB LEU 28 -2.754 -0.024 2.348 158 HG LEU 28 HG LEU 28 -5.085 -0.705 1.839 159 HD11 LEU 28 1HD1 LEU 28 -5.308 2.205 2.293 160 HD12 LEU 28 2HD1 LEU 28 -4.256 1.311 3.392 161 HD13 LEU 28 3HD1 LEU 28 -5.951 0.852 3.227 162 HD21 LEU 28 3HD2 LEU 28 -5.584 1.760 0.294 163 HD22 LEU 28 1HD2 LEU 28 -6.334 0.169 0.173 164 HD23 LEU 28 2HD2 LEU 28 -4.757 0.456 -0.559 165 H SER 29 H SER 29 -3.496 3.717 1.586 166 HA SER 29 HA SER 29 -1.593 4.021 3.818 167 HB2 SER 29 2HB SER 29 -2.802 6.171 2.063 168 HB3 SER 29 1HB SER 29 -1.805 6.477 3.483 169 HG SER 29 HG SER 29 -0.228 6.370 2.093 170 H ALA 30 H ALA 30 -2.364 5.241 5.676 171 HA ALA 30 HA ALA 30 -5.027 4.466 6.423 172 HB1 ALA 30 1HB ALA 30 -4.273 5.951 8.507 173 HB2 ALA 30 2HB ALA 30 -2.686 5.661 7.793 174 HB3 ALA 30 3HB ALA 30 -3.705 4.299 8.263 175 H SER 31 H SER 31 -6.319 6.214 7.749 176 HA SER 31 HA SER 31 -6.795 8.424 5.889 177 HB2 SER 31 2HB SER 31 -8.474 6.899 7.810 178 HB3 SER 31 1HB SER 31 -8.883 8.599 7.575 179 HG SER 31 HG SER 31 -8.514 6.795 5.421 180 H TRP 32 H TRP 32 -5.824 10.282 6.340 181 HA TRP 32 HA TRP 32 -4.952 12.064 7.446 182 HB2 TRP 32 2HB TRP 32 -7.470 11.894 8.287 183 HB3 TRP 32 1HB TRP 32 -6.683 11.573 9.827 184 HD1 TRP 32 HD TRP 32 -4.828 13.571 10.583 185 HE1 TRP 32 1HE TRP 32 -5.083 16.120 10.356 186 HE3 TRP 32 3HE TRP 32 -8.468 13.715 6.987 187 HZ2 TRP 32 2HZ TRP 32 -6.620 17.951 8.860 188 HZ3 TRP 32 3HZ TRP 32 -9.271 15.910 6.216 189 HH2 TRP 32 HH TRP 32 -8.366 17.983 7.134 190 H CYS 33 H CYS 33 -3.534 9.650 7.760 191 HA CYS 33 HA CYS 33 -2.586 9.812 10.546 192 HB2 CYS 33 2HB CYS 33 -2.845 7.578 8.614 193 HB3 CYS 33 1HB CYS 33 -1.400 7.564 9.619 194 HG CYS 33 HG CYS 33 -4.217 6.926 10.544 195 HA PRO 34 HA PRO 34 1.261 11.659 9.416 196 HB2 PRO 34 2HB PRO 34 2.520 9.541 11.095 197 HB3 PRO 34 1HB PRO 34 2.709 11.298 11.168 198 HG2 PRO 34 2HG PRO 34 1.237 10.026 12.978 199 HG3 PRO 34 1HG PRO 34 0.719 11.593 12.330 200 HD2 PRO 34 2HD PRO 34 -0.288 8.852 11.694 201 HD3 PRO 34 1HD PRO 34 -1.182 10.380 11.836 202 H ASP 35 H ASP 35 0.938 8.145 9.247 203 HA ASP 35 HA ASP 35 3.243 7.695 7.642 204 HB2 ASP 35 2HB ASP 35 1.223 6.099 8.863 205 HB3 ASP 35 1HB ASP 35 1.273 5.683 7.154 206 H CYS 36 H CYS 36 -0.215 8.054 6.904 207 HA CYS 36 HA CYS 36 -0.091 7.612 4.155 208 HB2 CYS 36 2HB CYS 36 -2.207 7.734 5.381 209 HB3 CYS 36 1HB CYS 36 -1.952 9.449 5.677 210 HG CYS 36 HG CYS 36 -2.060 8.802 2.712 211 H VAL 37 H VAL 37 0.039 10.722 5.908 212 HA VAL 37 HA VAL 37 0.461 12.325 3.633 213 HB VAL 37 HB VAL 37 1.302 14.056 5.193 214 HG11 VAL 37 1HG1 VAL 37 -0.858 13.791 6.778 215 HG12 VAL 37 2HG1 VAL 37 -1.273 12.653 5.496 216 HG13 VAL 37 3HG1 VAL 37 -0.935 14.338 5.103 217 HG21 VAL 37 3HG2 VAL 37 2.500 12.648 6.766 218 HG22 VAL 37 1HG2 VAL 37 0.989 11.900 7.282 219 HG23 VAL 37 2HG2 VAL 37 1.287 13.605 7.615 220 H TYR 38 H TYR 38 2.714 10.599 5.735 221 HA TYR 38 HA TYR 38 5.087 11.777 4.740 222 HB2 TYR 38 2HB TYR 38 4.995 10.545 6.869 223 HB3 TYR 38 1HB TYR 38 4.692 9.050 5.992 224 HD1 TYR 38 2HD TYR 38 7.204 11.813 6.206 225 HD2 TYR 38 1HD TYR 38 6.492 7.683 5.464 226 HE1 TYR 38 2HE TYR 38 9.629 11.426 6.054 227 HE2 TYR 38 1HE TYR 38 8.913 7.288 5.312 228 HH TYR 38 HH TYR 38 10.976 8.652 4.777 229 H ALA 39 H ALA 39 3.594 8.602 4.009 230 HA ALA 39 HA ALA 39 5.367 7.885 1.953 231 HB1 ALA 39 1HB ALA 39 3.382 6.586 3.209 232 HB2 ALA 39 2HB ALA 39 4.078 6.046 1.683 233 HB3 ALA 39 3HB ALA 39 2.571 6.963 1.688 234 H ASN 40 H ASN 40 2.579 9.993 1.945 235 HA ASN 40 HA ASN 40 2.218 10.044 -0.877 236 HB2 ASN 40 2HB ASN 40 1.059 11.391 1.459 237 HB3 ASN 40 1HB ASN 40 1.152 12.413 0.027 238 HD21 ASN 40 1HD2 ASN 40 0.088 9.230 1.133 239 HD22 ASN 40 2HD2 ASN 40 -1.245 9.102 0.041 240 H SER 41 H SER 41 4.013 11.967 1.461 241 HA SER 41 HA SER 41 4.762 14.020 -0.301 242 HB2 SER 41 2HB SER 41 6.228 14.773 1.381 243 HB3 SER 41 1HB SER 41 4.930 13.974 2.268 244 HG SER 41 HG SER 41 7.586 13.193 1.895 245 H ILE 42 H ILE 42 6.192 10.884 0.450 246 HA ILE 42 HA ILE 42 8.667 11.213 -0.804 247 HB ILE 42 HB ILE 42 7.089 8.636 -0.701 248 HG12 ILE 42 2HG1 ILE 42 7.201 9.581 1.536 249 HG13 ILE 42 1HG1 ILE 42 8.301 8.216 1.424 250 HG21 ILE 42 1HG2 ILE 42 9.050 8.599 -2.168 251 HG22 ILE 42 2HG2 ILE 42 9.275 7.565 -0.758 252 HG23 ILE 42 3HG2 ILE 42 10.060 9.141 -0.829 253 HD11 ILE 42 3HD1 ILE 42 10.079 10.034 0.901 254 HD12 ILE 42 1HD1 ILE 42 9.558 9.761 2.562 255 HD13 ILE 42 2HD1 ILE 42 8.910 11.122 1.649 256 H TRP 43 H TRP 43 5.792 9.551 -2.197 257 HA TRP 43 HA TRP 43 6.906 9.447 -4.798 258 HB2 TRP 43 2HB TRP 43 4.857 8.549 -5.535 259 HB3 TRP 43 1HB TRP 43 5.026 7.991 -3.876 260 HD1 TRP 43 HD TRP 43 3.063 8.490 -2.276 261 HE1 TRP 43 1HE TRP 43 0.867 9.822 -2.450 262 HE3 TRP 43 3HE TRP 43 3.867 10.814 -6.761 263 HZ2 TRP 43 2HZ TRP 43 -0.362 11.617 -4.246 264 HZ3 TRP 43 3HZ TRP 43 2.131 12.321 -7.634 265 HH2 TRP 43 HH TRP 43 0.061 12.712 -6.402 266 H ASN 44 H ASN 44 4.736 11.769 -3.245 267 HA ASN 44 HA ASN 44 4.003 13.250 -5.498 268 HB2 ASN 44 2HB ASN 44 2.984 13.491 -3.243 269 HB3 ASN 44 1HB ASN 44 4.446 14.302 -2.695 270 HD21 ASN 44 1HD2 ASN 44 4.939 16.363 -3.503 271 HD22 ASN 44 2HD2 ASN 44 3.724 17.361 -4.220 272 H LYS 45 H LYS 45 6.875 13.451 -3.462 273 HA LYS 45 HA LYS 45 7.904 15.760 -4.863 274 HB2 LYS 45 2HB LYS 45 8.249 15.151 -2.375 275 HB3 LYS 45 1HB LYS 45 9.467 14.028 -2.963 276 HG2 LYS 45 2HG LYS 45 10.788 15.789 -3.850 277 HG3 LYS 45 1HG LYS 45 9.493 16.965 -3.610 278 HD2 LYS 45 2HD LYS 45 10.709 17.448 -1.754 279 HD3 LYS 45 1HD LYS 45 9.766 16.114 -1.087 280 HE2 LYS 45 2HE LYS 45 11.726 15.188 -0.549 281 HE3 LYS 45 1HE LYS 45 11.906 14.842 -2.267 282 HZ1 LYS 45 3HZ LYS 45 13.327 16.612 -2.565 283 HZ2 LYS 45 1HZ LYS 45 13.767 16.098 -1.014 284 HZ3 LYS 45 2HZ LYS 45 12.771 17.451 -1.206 285 H LEU 46 H LEU 46 8.347 12.271 -4.901 286 HA LEU 46 HA LEU 46 10.695 12.390 -6.562 287 HB2 LEU 46 2HB LEU 46 8.985 10.193 -5.475 288 HB3 LEU 46 1HB LEU 46 10.096 9.849 -6.786 289 HG LEU 46 HG LEU 46 10.949 11.049 -4.153 290 HD11 LEU 46 1HD1 LEU 46 11.266 8.996 -3.261 291 HD12 LEU 46 2HD1 LEU 46 11.605 8.249 -4.822 292 HD13 LEU 46 3HD1 LEU 46 9.939 8.576 -4.346 293 HD21 LEU 46 3HD2 LEU 46 12.327 10.249 -6.652 294 HD22 LEU 46 1HD2 LEU 46 13.130 9.861 -5.132 295 HD23 LEU 46 2HD2 LEU 46 12.710 11.532 -5.505 296 H ASN 47 H ASN 47 7.416 12.789 -7.214 297 HA ASN 47 HA ASN 47 6.129 12.713 -9.086 298 HB2 ASN 47 2HB ASN 47 7.876 14.359 -9.746 299 HB3 ASN 47 1HB ASN 47 8.798 13.047 -10.468 300 HD21 ASN 47 1HD2 ASN 47 5.461 14.284 -10.531 301 HD22 ASN 47 2HD2 ASN 47 5.280 14.184 -12.246 302 H VAL 48 H VAL 48 6.551 10.200 -8.136 303 HA VAL 48 HA VAL 48 7.018 8.598 -10.568 304 HB VAL 48 HB VAL 48 7.465 6.674 -9.017 305 HG11 VAL 48 1HG1 VAL 48 9.724 7.815 -8.178 306 HG12 VAL 48 2HG1 VAL 48 9.205 9.047 -9.328 307 HG13 VAL 48 3HG1 VAL 48 9.442 7.385 -9.863 308 HG21 VAL 48 3HG2 VAL 48 6.383 8.170 -7.071 309 HG22 VAL 48 1HG2 VAL 48 8.087 8.528 -6.799 310 HG23 VAL 48 2HG2 VAL 48 7.520 6.857 -6.760 311 H GLN 49 H GLN 49 4.515 9.882 -9.861 312 HA GLN 49 HA GLN 49 2.751 7.931 -8.737 313 HB2 GLN 49 2HB GLN 49 2.551 10.588 -9.033 314 HB3 GLN 49 1HB GLN 49 1.648 10.085 -10.455 315 HG2 GLN 49 2HG GLN 49 0.428 8.523 -8.741 316 HG3 GLN 49 1HG GLN 49 1.020 9.700 -7.572 317 HE21 GLN 49 1HE2 GLN 49 -1.692 9.214 -8.095 318 HE22 GLN 49 2HE2 GLN 49 -2.377 10.642 -8.783 319 H ASP 50 H ASP 50 4.116 8.334 -11.844 320 HA ASP 50 HA ASP 50 1.956 7.022 -13.264 321 HB2 ASP 50 2HB ASP 50 4.600 8.195 -14.030 322 HB3 ASP 50 1HB ASP 50 3.868 7.002 -15.097 323 H LYS 51 H LYS 51 5.022 6.202 -11.801 324 HA LYS 51 HA LYS 51 5.136 3.578 -12.997 325 HB2 LYS 51 2HB LYS 51 6.770 4.847 -10.793 326 HB3 LYS 51 1HB LYS 51 7.088 3.260 -11.479 327 HG2 LYS 51 2HG LYS 51 7.761 4.149 -13.531 328 HG3 LYS 51 1HG LYS 51 7.008 5.713 -13.202 329 HD2 LYS 51 2HD LYS 51 8.665 6.273 -11.599 330 HD3 LYS 51 1HD LYS 51 9.298 4.628 -11.575 331 HE2 LYS 51 2HE LYS 51 9.363 6.400 -14.011 332 HE3 LYS 51 1HE LYS 51 10.680 6.307 -12.844 333 HZ1 LYS 51 3HZ LYS 51 9.753 4.280 -14.761 334 HZ2 LYS 51 1HZ LYS 51 10.498 3.771 -13.328 335 HZ3 LYS 51 2HZ LYS 51 11.329 4.777 -14.403 336 H VAL 52 H VAL 52 4.001 4.998 -9.986 337 HA VAL 52 HA VAL 52 2.968 2.360 -9.189 338 HB VAL 52 HB VAL 52 4.173 4.371 -7.277 339 HG11 VAL 52 1HG1 VAL 52 3.977 2.302 -5.731 340 HG12 VAL 52 2HG1 VAL 52 2.773 1.754 -6.896 341 HG13 VAL 52 3HG1 VAL 52 2.543 3.281 -6.043 342 HG21 VAL 52 3HG2 VAL 52 5.953 2.742 -6.930 343 HG22 VAL 52 1HG2 VAL 52 5.895 3.260 -8.616 344 HG23 VAL 52 2HG2 VAL 52 5.240 1.688 -8.152 345 H PHE 53 H PHE 53 0.985 2.405 -8.017 346 HA PHE 53 HA PHE 53 -0.415 4.986 -8.115 347 HB2 PHE 53 2HB PHE 53 -1.207 2.302 -9.045 348 HB3 PHE 53 1HB PHE 53 -2.438 3.155 -8.119 349 HD1 PHE 53 2HD PHE 53 -2.965 5.576 -8.852 350 HD2 PHE 53 1HD PHE 53 -0.957 2.734 -11.305 351 HE1 PHE 53 2HE PHE 53 -3.572 6.876 -10.851 352 HE2 PHE 53 1HE PHE 53 -1.560 4.032 -13.306 353 HZ PHE 53 HZ PHE 53 -2.868 6.104 -13.081 354 H VAL 54 H VAL 54 -0.614 5.747 -6.180 355 HA VAL 54 HA VAL 54 -0.969 3.958 -3.887 356 HB VAL 54 HB VAL 54 0.856 5.582 -3.714 357 HG11 VAL 54 1HG1 VAL 54 -0.861 7.334 -4.960 358 HG12 VAL 54 2HG1 VAL 54 0.687 7.746 -4.227 359 HG13 VAL 54 3HG1 VAL 54 -0.803 7.937 -3.305 360 HG21 VAL 54 3HG2 VAL 54 0.187 6.611 -1.533 361 HG22 VAL 54 1HG2 VAL 54 -0.110 4.877 -1.649 362 HG23 VAL 54 2HG2 VAL 54 -1.446 6.016 -1.818 363 H PHE 55 H PHE 55 -2.690 4.063 -2.533 364 HA PHE 55 HA PHE 55 -4.729 6.095 -2.859 365 HB2 PHE 55 2HB PHE 55 -5.042 3.988 -4.482 366 HB3 PHE 55 1HB PHE 55 -5.780 3.318 -3.033 367 HD1 PHE 55 2HD PHE 55 -7.446 5.087 -1.836 368 HD2 PHE 55 1HD PHE 55 -6.462 4.978 -5.977 369 HE1 PHE 55 2HE PHE 55 -9.545 6.255 -2.363 370 HE2 PHE 55 1HE PHE 55 -8.561 6.145 -6.509 371 HZ PHE 55 HZ PHE 55 -10.106 6.784 -4.702 372 H ASP 56 H ASP 56 -5.820 6.467 -1.004 373 HA ASP 56 HA ASP 56 -4.955 5.140 1.383 374 HB2 ASP 56 2HB ASP 56 -6.660 6.657 2.489 375 HB3 ASP 56 1HB ASP 56 -5.385 7.474 1.596 376 H ILE 57 H ILE 57 -6.834 4.641 3.053 377 HA ILE 57 HA ILE 57 -8.100 2.298 2.138 378 HB ILE 57 HB ILE 57 -7.461 2.624 4.482 379 HG12 ILE 57 2HG1 ILE 57 -10.371 2.275 4.786 380 HG13 ILE 57 1HG1 ILE 57 -9.640 1.277 3.534 381 HG21 ILE 57 1HG2 ILE 57 -8.191 4.272 5.812 382 HG22 ILE 57 2HG2 ILE 57 -9.840 4.183 5.193 383 HG23 ILE 57 3HG2 ILE 57 -8.609 5.075 4.298 384 HD11 ILE 57 3HD1 ILE 57 -7.933 0.650 5.362 385 HD12 ILE 57 1HD1 ILE 57 -9.543 -0.067 5.406 386 HD13 ILE 57 2HD1 ILE 57 -9.146 1.277 6.477 387 H GLY 58 H GLY 58 -9.149 5.610 2.151 388 HA2 GLY 58 2HA GLY 58 -10.919 6.349 0.756 389 HA3 GLY 58 1HA GLY 58 -11.671 4.771 0.910 390 H SER 59 H SER 59 -10.645 5.784 3.943 391 HA SER 59 HA SER 59 -11.731 6.504 5.807 392 HB2 SER 59 2HB SER 59 -13.460 8.184 3.986 393 HB3 SER 59 1HB SER 59 -13.006 8.511 5.659 394 HG SER 59 HG SER 59 -11.563 8.891 3.313 395 H LEU 60 H LEU 60 -12.696 4.162 4.398 396 HA LEU 60 HA LEU 60 -15.445 3.985 4.153 397 HB2 LEU 60 2HB LEU 60 -14.960 1.502 4.928 398 HB3 LEU 60 1HB LEU 60 -14.504 2.100 3.348 399 HG LEU 60 HG LEU 60 -12.203 2.356 4.042 400 HD11 LEU 60 1HD1 LEU 60 -11.525 1.495 6.314 401 HD12 LEU 60 2HD1 LEU 60 -13.226 1.590 6.763 402 HD13 LEU 60 3HD1 LEU 60 -12.356 3.051 6.295 403 HD21 LEU 60 3HD2 LEU 60 -12.590 0.215 3.208 404 HD22 LEU 60 1HD2 LEU 60 -13.509 -0.276 4.630 405 HD23 LEU 60 2HD2 LEU 60 -11.761 -0.074 4.737 406 HA PRO 61 HA PRO 61 -16.975 4.556 8.276 407 HB2 PRO 61 2HB PRO 61 -19.311 3.012 7.324 408 HB3 PRO 61 1HB PRO 61 -19.241 4.653 7.971 409 HG2 PRO 61 2HG PRO 61 -19.670 4.201 5.371 410 HG3 PRO 61 1HG PRO 61 -18.695 5.578 5.920 411 HD2 PRO 61 2HD PRO 61 -17.805 2.952 4.789 412 HD3 PRO 61 1HD PRO 61 -17.166 4.583 4.491 413 H ARG 62 H ARG 62 -18.120 3.142 9.987 414 HA ARG 62 HA ARG 62 -16.506 1.014 10.689 415 HB2 ARG 62 2HB ARG 62 -18.230 0.406 12.340 416 HB3 ARG 62 1HB ARG 62 -17.914 2.134 12.317 417 HG2 ARG 62 2HG ARG 62 -20.197 2.100 12.439 418 HG3 ARG 62 1HG ARG 62 -19.962 2.192 10.693 419 HD2 ARG 62 2HD ARG 62 -20.666 0.053 10.348 420 HD3 ARG 62 1HD ARG 62 -20.083 -0.507 11.914 421 HE ARG 62 HE ARG 62 -22.314 1.280 12.121 422 HH11 ARG 62 1HH1 ARG 62 -21.386 -2.053 11.584 423 HH12 ARG 62 2HH1 ARG 62 -22.895 -2.694 12.137 424 HH21 ARG 62 1HH2 ARG 62 -24.310 0.425 12.847 425 HH22 ARG 62 2HH2 ARG 62 -24.555 -1.289 12.852 426 H ASN 63 H ASN 63 -19.280 1.011 8.570 427 HA ASN 63 HA ASN 63 -19.692 -1.820 8.627 428 HB2 ASN 63 2HB ASN 63 -21.330 0.089 7.909 429 HB3 ASN 63 1HB ASN 63 -20.561 -0.095 6.335 430 HD21 ASN 63 1HD2 ASN 63 -20.974 -1.884 5.114 431 HD22 ASN 63 2HD2 ASN 63 -22.163 -3.066 5.531 432 H GLU 64 H GLU 64 -18.315 0.364 6.137 433 HA GLU 64 HA GLU 64 -17.420 -1.779 4.498 434 HB2 GLU 64 2HB GLU 64 -17.075 1.168 4.528 435 HB3 GLU 64 1HB GLU 64 -15.888 0.233 3.626 436 HG2 GLU 64 2HG GLU 64 -17.861 -0.877 2.480 437 HG3 GLU 64 1HG GLU 64 -18.850 0.395 3.193 438 H GLN 65 H GLN 65 -15.936 0.049 7.101 439 HA GLN 65 HA GLN 65 -13.257 -0.545 6.727 440 HB2 GLN 65 2HB GLN 65 -14.136 0.989 8.455 441 HB3 GLN 65 1HB GLN 65 -14.735 -0.394 9.362 442 HG2 GLN 65 2HG GLN 65 -12.363 -1.207 9.488 443 HG3 GLN 65 1HG GLN 65 -11.874 0.349 8.813 444 HE21 GLN 65 1HE2 GLN 65 -13.172 -1.305 11.575 445 HE22 GLN 65 2HE2 GLN 65 -13.007 0.003 12.692 446 H GLU 66 H GLU 66 -15.762 -2.487 8.325 447 HA GLU 66 HA GLU 66 -14.111 -4.576 9.216 448 HB2 GLU 66 2HB GLU 66 -16.455 -4.204 9.953 449 HB3 GLU 66 1HB GLU 66 -17.011 -4.742 8.374 450 HG2 GLU 66 2HG GLU 66 -16.319 -6.946 8.754 451 HG3 GLU 66 1HG GLU 66 -15.310 -6.485 10.122 452 H LYS 67 H LYS 67 -15.741 -4.024 6.127 453 HA LYS 67 HA LYS 67 -15.206 -6.564 5.009 454 HB2 LYS 67 2HB LYS 67 -15.948 -3.897 3.847 455 HB3 LYS 67 1HB LYS 67 -15.505 -5.230 2.791 456 HG2 LYS 67 2HG LYS 67 -17.306 -6.470 4.349 457 HG3 LYS 67 1HG LYS 67 -17.930 -4.822 4.415 458 HD2 LYS 67 2HD LYS 67 -18.439 -4.778 2.182 459 HD3 LYS 67 1HD LYS 67 -17.159 -5.919 1.760 460 HE2 LYS 67 2HE LYS 67 -19.175 -7.085 1.424 461 HE3 LYS 67 1HE LYS 67 -18.539 -7.685 2.955 462 HZ1 LYS 67 3HZ LYS 67 -20.601 -5.558 2.737 463 HZ2 LYS 67 1HZ LYS 67 -20.081 -6.331 4.149 464 HZ3 LYS 67 2HZ LYS 67 -20.952 -7.194 2.983 465 H TRP 68 H TRP 68 -13.363 -3.541 5.060 466 HA TRP 68 HA TRP 68 -11.385 -4.333 3.185 467 HB2 TRP 68 2HB TRP 68 -11.771 -1.973 3.858 468 HB3 TRP 68 1HB TRP 68 -11.115 -2.340 5.449 469 HD1 TRP 68 HD TRP 68 -10.080 -1.370 1.973 470 HE1 TRP 68 1HE TRP 68 -7.518 -1.172 1.843 471 HE3 TRP 68 3HE TRP 68 -8.858 -3.488 6.472 472 HZ2 TRP 68 2HZ TRP 68 -5.279 -1.820 3.432 473 HZ3 TRP 68 3HZ TRP 68 -6.481 -3.660 7.085 474 HH2 TRP 68 HH TRP 68 -4.732 -2.843 5.593 475 H ARG 69 H ARG 69 -11.447 -4.407 6.752 476 HA ARG 69 HA ARG 69 -8.881 -5.407 7.161 477 HB2 ARG 69 2HB ARG 69 -11.415 -5.615 8.763 478 HB3 ARG 69 1HB ARG 69 -9.944 -6.408 9.301 479 HG2 ARG 69 2HG ARG 69 -10.346 -3.457 8.858 480 HG3 ARG 69 1HG ARG 69 -10.156 -4.288 10.402 481 HD2 ARG 69 2HD ARG 69 -7.896 -5.090 9.326 482 HD3 ARG 69 1HD ARG 69 -8.121 -3.668 8.312 483 HE ARG 69 HE ARG 69 -7.411 -3.721 11.098 484 HH11 ARG 69 1HH1 ARG 69 -8.837 -1.795 8.543 485 HH12 ARG 69 2HH1 ARG 69 -8.479 -0.287 9.310 486 HH21 ARG 69 1HH2 ARG 69 -6.949 -1.724 12.108 487 HH22 ARG 69 2HH2 ARG 69 -7.404 -0.246 11.332 488 H ILE 70 H ILE 70 -11.936 -7.249 6.877 489 HA ILE 70 HA ILE 70 -10.712 -9.789 7.085 490 HB ILE 70 HB ILE 70 -13.335 -9.145 5.732 491 HG12 ILE 70 2HG1 ILE 70 -13.241 -8.296 8.055 492 HG13 ILE 70 1HG1 ILE 70 -14.382 -9.626 7.886 493 HG21 ILE 70 1HG2 ILE 70 -11.939 -11.646 6.458 494 HG22 ILE 70 2HG2 ILE 70 -13.067 -11.317 5.144 495 HG23 ILE 70 3HG2 ILE 70 -13.671 -11.589 6.777 496 HD11 ILE 70 3HD1 ILE 70 -13.383 -10.540 9.639 497 HD12 ILE 70 1HD1 ILE 70 -12.043 -9.397 9.563 498 HD13 ILE 70 2HD1 ILE 70 -12.008 -10.862 8.583 499 H ALA 71 H ALA 71 -11.693 -7.870 4.240 500 HA ALA 71 HA ALA 71 -11.035 -9.775 2.289 501 HB1 ALA 71 1HB ALA 71 -11.121 -7.997 0.693 502 HB2 ALA 71 2HB ALA 71 -10.872 -6.786 1.951 503 HB3 ALA 71 3HB ALA 71 -12.372 -7.711 1.902 504 H PHE 72 H PHE 72 -9.092 -6.999 3.437 505 HA PHE 72 HA PHE 72 -6.791 -7.582 1.945 506 HB2 PHE 72 2HB PHE 72 -7.535 -5.550 3.594 507 HB3 PHE 72 1HB PHE 72 -6.347 -6.370 4.601 508 HD1 PHE 72 1HD PHE 72 -6.813 -4.945 1.195 509 HD2 PHE 72 2HD PHE 72 -4.087 -5.950 4.307 510 HE1 PHE 72 1HE PHE 72 -5.001 -3.822 -0.035 511 HE2 PHE 72 2HE PHE 72 -2.272 -4.828 3.081 512 HZ PHE 72 HZ PHE 72 -2.728 -3.761 0.912 513 H GLN 73 H GLN 73 -7.826 -8.686 5.144 514 HA GLN 73 HA GLN 73 -5.399 -10.008 5.804 515 HB2 GLN 73 2HB GLN 73 -7.254 -9.298 7.399 516 HB3 GLN 73 1HB GLN 73 -8.132 -10.723 6.860 517 HG2 GLN 73 2HG GLN 73 -6.107 -12.066 7.562 518 HG3 GLN 73 1HG GLN 73 -5.528 -10.599 8.348 519 HE21 GLN 73 1HE2 GLN 73 -6.978 -13.410 8.958 520 HE22 GLN 73 2HE2 GLN 73 -7.955 -12.981 10.317 521 H LYS 74 H LYS 74 -8.191 -10.911 3.912 522 HA LYS 74 HA LYS 74 -7.613 -13.729 3.936 523 HB2 LYS 74 2HB LYS 74 -9.828 -12.195 3.329 524 HB3 LYS 74 1HB LYS 74 -9.295 -12.752 1.755 525 HG2 LYS 74 2HG LYS 74 -9.871 -14.898 2.165 526 HG3 LYS 74 1HG LYS 74 -9.428 -14.804 3.871 527 HD2 LYS 74 2HD LYS 74 -11.474 -13.884 4.482 528 HD3 LYS 74 1HD LYS 74 -11.823 -13.323 2.847 529 HE2 LYS 74 2HE LYS 74 -11.591 -16.092 2.621 530 HE3 LYS 74 1HE LYS 74 -12.482 -15.835 4.121 531 HZ1 LYS 74 3HZ LYS 74 -14.203 -14.788 3.016 532 HZ2 LYS 74 1HZ LYS 74 -13.767 -15.995 1.912 533 HZ3 LYS 74 2HZ LYS 74 -13.264 -14.400 1.665 534 H VAL 75 H VAL 75 -6.854 -10.983 1.875 535 HA VAL 75 HA VAL 75 -5.837 -12.652 -0.255 536 HB VAL 75 HB VAL 75 -5.527 -9.660 0.046 537 HG11 VAL 75 1HG1 VAL 75 -5.380 -9.831 -2.482 538 HG12 VAL 75 2HG1 VAL 75 -5.175 -11.566 -2.254 539 HG13 VAL 75 3HG1 VAL 75 -3.999 -10.444 -1.572 540 HG21 VAL 75 3HG2 VAL 75 -7.855 -11.285 -0.638 541 HG22 VAL 75 1HG2 VAL 75 -7.463 -10.075 -1.859 542 HG23 VAL 75 2HG2 VAL 75 -7.753 -9.583 -0.192 543 H VAL 76 H VAL 76 -4.440 -10.390 2.139 544 HA VAL 76 HA VAL 76 -1.845 -11.681 1.633 545 HB VAL 76 HB VAL 76 -0.833 -9.541 2.590 546 HG11 VAL 76 1HG1 VAL 76 -2.246 -9.426 -0.073 547 HG12 VAL 76 2HG1 VAL 76 -0.688 -10.191 0.241 548 HG13 VAL 76 3HG1 VAL 76 -0.863 -8.445 0.411 549 HG21 VAL 76 3HG2 VAL 76 -2.869 -8.575 3.515 550 HG22 VAL 76 1HG2 VAL 76 -3.574 -8.480 1.899 551 HG23 VAL 76 2HG2 VAL 76 -2.165 -7.504 2.306 552 H GLY 77 H GLY 77 -3.922 -10.298 4.156 553 HA2 GLY 77 2HA GLY 77 -4.179 -11.439 6.257 554 HA3 GLY 77 1HA GLY 77 -2.535 -12.032 6.092 555 H SER 78 H SER 78 -3.705 -8.710 5.660 556 HA SER 78 HA SER 78 -2.119 -7.922 8.012 557 HB2 SER 78 2HB SER 78 -2.182 -6.770 5.250 558 HB3 SER 78 1HB SER 78 -1.900 -5.692 6.616 559 HG SER 78 HG SER 78 0.082 -6.413 5.963 560 H ARG 79 H ARG 79 -3.769 -7.692 9.455 561 HA ARG 79 HA ARG 79 -6.177 -6.243 8.731 562 HB2 ARG 79 2HB ARG 79 -6.001 -8.323 10.273 563 HB3 ARG 79 1HB ARG 79 -5.496 -7.180 11.508 564 HG2 ARG 79 2HG ARG 79 -7.589 -5.985 11.307 565 HG3 ARG 79 1HG ARG 79 -8.090 -7.038 9.983 566 HD2 ARG 79 2HD ARG 79 -8.577 -8.774 11.367 567 HD3 ARG 79 1HD ARG 79 -7.309 -8.354 12.517 568 HE ARG 79 HE ARG 79 -9.492 -6.485 12.472 569 HH11 ARG 79 1HH1 ARG 79 -8.346 -9.498 13.850 570 HH12 ARG 79 2HH1 ARG 79 -9.334 -9.367 15.265 571 HH21 ARG 79 1HH2 ARG 79 -10.792 -6.325 14.342 572 HH22 ARG 79 2HH2 ARG 79 -10.718 -7.570 15.544 573 H ASN 80 H ASN 80 -4.142 -4.521 8.383 574 HA ASN 80 HA ASN 80 -4.788 -2.369 10.110 575 HB2 ASN 80 2HB ASN 80 -3.097 -3.865 11.439 576 HB3 ASN 80 1HB ASN 80 -1.897 -3.149 10.367 577 HD21 ASN 80 1HD2 ASN 80 -4.723 -2.010 12.210 578 HD22 ASN 80 2HD2 ASN 80 -3.916 -0.660 12.924 579 H LEU 81 H LEU 81 -3.291 -0.421 9.656 580 HA LEU 81 HA LEU 81 -2.060 -0.537 7.005 581 HB2 LEU 81 2HB LEU 81 -3.266 1.851 6.745 582 HB3 LEU 81 1HB LEU 81 -3.921 0.360 6.107 583 HG LEU 81 HG LEU 81 -5.567 1.848 7.272 584 HD11 LEU 81 1HD1 LEU 81 -5.634 -0.609 8.874 585 HD12 LEU 81 2HD1 LEU 81 -5.457 -0.850 7.135 586 HD13 LEU 81 3HD1 LEU 81 -6.828 0.065 7.764 587 HD21 LEU 81 3HD2 LEU 81 -5.360 2.497 9.400 588 HD22 LEU 81 1HD2 LEU 81 -3.662 2.058 9.224 589 HD23 LEU 81 2HD2 LEU 81 -4.801 0.913 9.931 590 HA PRO 82 HA PRO 82 -1.652 1.567 5.611 591 HB2 PRO 82 2HB PRO 82 0.762 2.240 4.621 592 HB3 PRO 82 1HB PRO 82 -0.358 3.441 5.276 593 HG2 PRO 82 2HG PRO 82 2.017 2.162 6.576 594 HG3 PRO 82 1HG PRO 82 1.525 3.864 6.579 595 HD2 PRO 82 2HD PRO 82 1.029 2.183 8.654 596 HD3 PRO 82 1HD PRO 82 -0.036 3.540 8.239 597 H THR 83 H THR 83 -0.730 0.372 3.735 598 HA THR 83 HA THR 83 1.067 -1.825 4.386 599 HB THR 83 HB THR 83 -0.795 -3.284 3.107 600 HG1 THR 83 1HG THR 83 -2.842 -2.680 3.994 601 HG21 THR 83 3HG2 THR 83 -1.770 -3.467 5.666 602 HG22 THR 83 1HG2 THR 83 -0.119 -2.896 5.903 603 HG23 THR 83 2HG2 THR 83 -0.418 -4.380 4.999 604 H ILE 84 H ILE 84 2.416 -2.215 2.727 605 HA ILE 84 HA ILE 84 1.762 -1.037 0.117 606 HB ILE 84 HB ILE 84 4.460 -2.030 1.027 607 HG12 ILE 84 2HG1 ILE 84 3.716 -0.197 2.488 608 HG13 ILE 84 1HG1 ILE 84 5.041 0.316 1.451 609 HG21 ILE 84 1HG2 ILE 84 3.657 -1.571 -1.488 610 HG22 ILE 84 2HG2 ILE 84 5.305 -1.284 -0.930 611 HG23 ILE 84 3HG2 ILE 84 4.166 0.058 -1.042 612 HD11 ILE 84 3HD1 ILE 84 3.817 1.926 0.536 613 HD12 ILE 84 1HD1 ILE 84 2.659 1.635 1.833 614 HD13 ILE 84 2HD1 ILE 84 2.447 0.848 0.269 615 H VAL 85 H VAL 85 0.882 -2.404 -1.278 616 HA VAL 85 HA VAL 85 1.656 -5.236 -1.228 617 HB VAL 85 HB VAL 85 -0.643 -3.990 -2.740 618 HG11 VAL 85 1HG1 VAL 85 0.162 -6.817 -2.124 619 HG12 VAL 85 2HG1 VAL 85 -0.150 -6.077 -3.694 620 HG13 VAL 85 3HG1 VAL 85 -1.485 -6.389 -2.585 621 HG21 VAL 85 3HG2 VAL 85 -0.845 -3.638 -0.292 622 HG22 VAL 85 1HG2 VAL 85 -0.751 -5.384 -0.068 623 HG23 VAL 85 2HG2 VAL 85 -2.103 -4.680 -0.955 624 H VAL 86 H VAL 86 3.157 -5.865 -2.638 625 HA VAL 86 HA VAL 86 3.314 -4.494 -5.247 626 HB VAL 86 HB VAL 86 5.627 -5.795 -3.802 627 HG11 VAL 86 1HG1 VAL 86 5.538 -5.521 -6.388 628 HG12 VAL 86 2HG1 VAL 86 6.998 -5.063 -5.512 629 HG13 VAL 86 3HG1 VAL 86 5.858 -3.823 -6.036 630 HG21 VAL 86 3HG2 VAL 86 4.444 -3.485 -2.996 631 HG22 VAL 86 1HG2 VAL 86 5.639 -2.878 -4.142 632 HG23 VAL 86 2HG2 VAL 86 6.150 -3.865 -2.773 633 H ASN 87 H ASN 87 2.909 -5.731 -6.953 634 HA ASN 87 HA ASN 87 2.572 -7.526 -8.299 635 HB2 ASN 87 2HB ASN 87 4.696 -8.707 -6.505 636 HB3 ASN 87 1HB ASN 87 4.041 -9.551 -7.902 637 HD21 ASN 87 1HD2 ASN 87 6.430 -7.506 -6.823 638 HD22 ASN 87 2HD2 ASN 87 6.975 -6.902 -8.347 639 H GLY 88 H GLY 88 0.751 -7.126 -6.188 640 HA2 GLY 88 2HA GLY 88 -1.040 -8.178 -5.210 641 HA3 GLY 88 1HA GLY 88 -0.652 -9.563 -6.213 642 H LYS 89 H LYS 89 1.163 -7.995 -3.596 643 HA LYS 89 HA LYS 89 0.642 -9.950 -1.650 644 HB2 LYS 89 2HB LYS 89 3.042 -10.888 -1.633 645 HB3 LYS 89 1HB LYS 89 1.911 -11.536 -2.813 646 HG2 LYS 89 2HG LYS 89 2.901 -9.813 -4.429 647 HG3 LYS 89 1HG LYS 89 4.205 -9.654 -3.253 648 HD2 LYS 89 2HD LYS 89 3.399 -12.370 -4.199 649 HD3 LYS 89 1HD LYS 89 4.400 -11.352 -5.235 650 HE2 LYS 89 2HE LYS 89 5.584 -11.143 -2.740 651 HE3 LYS 89 1HE LYS 89 5.105 -12.837 -2.842 652 HZ1 LYS 89 3HZ LYS 89 7.246 -12.727 -3.752 653 HZ2 LYS 89 1HZ LYS 89 6.903 -11.335 -4.650 654 HZ3 LYS 89 2HZ LYS 89 6.224 -12.818 -5.096 655 H PHE 90 H PHE 90 1.264 -9.240 0.298 656 HA PHE 90 HA PHE 90 2.150 -6.602 0.656 657 HB2 PHE 90 2HB PHE 90 0.791 -7.782 2.320 658 HB3 PHE 90 1HB PHE 90 2.117 -8.893 2.639 659 HD1 PHE 90 1HD PHE 90 4.069 -8.168 3.894 660 HD2 PHE 90 2HD PHE 90 0.797 -5.536 3.191 661 HE1 PHE 90 1HE PHE 90 4.904 -6.664 5.651 662 HE2 PHE 90 2HE PHE 90 1.631 -4.030 4.947 663 HZ PHE 90 HZ PHE 90 3.685 -4.593 6.179 664 H TRP 91 H TRP 91 4.084 -5.907 0.061 665 HA TRP 91 HA TRP 91 6.439 -7.519 0.781 666 HB2 TRP 91 2HB TRP 91 5.775 -6.876 -1.723 667 HB3 TRP 91 1HB TRP 91 6.646 -5.406 -1.303 668 HD1 TRP 91 HD TRP 91 9.201 -5.482 -1.571 669 HE1 TRP 91 1HE TRP 91 10.943 -7.326 -1.997 670 HE3 TRP 91 3HE TRP 91 6.179 -9.589 -1.112 671 HZ2 TRP 91 2HZ TRP 91 11.031 -10.144 -2.123 672 HZ3 TRP 91 3HZ TRP 91 7.177 -11.821 -1.400 673 HH2 TRP 91 HH TRP 91 9.552 -12.091 -1.896 674 H GLY 92 H GLY 92 4.898 -4.393 1.076 675 HA2 GLY 92 2HA GLY 92 7.269 -3.467 2.588 676 HA3 GLY 92 1HA GLY 92 6.297 -2.383 1.612 677 H THR 93 H THR 93 6.999 -2.579 4.565 678 HA THR 93 HA THR 93 4.269 -2.635 5.671 679 HB THR 93 HB THR 93 6.644 -2.479 7.456 680 HG1 THR 93 1HG THR 93 7.478 -4.129 6.430 681 HG21 THR 93 3HG2 THR 93 5.048 -2.917 8.921 682 HG22 THR 93 1HG2 THR 93 4.984 -4.544 8.247 683 HG23 THR 93 2HG2 THR 93 3.888 -3.299 7.651 684 H GLU 94 H GLU 94 4.050 -1.106 7.649 685 HA GLU 94 HA GLU 94 4.273 1.564 6.714 686 HB2 GLU 94 2HB GLU 94 3.299 2.212 8.852 687 HB3 GLU 94 1HB GLU 94 2.439 0.836 8.176 688 HG2 GLU 94 2HG GLU 94 2.832 -0.386 9.983 689 HG3 GLU 94 1HG GLU 94 4.560 -0.055 9.909 690 H SER 95 H SER 95 6.233 -0.401 8.855 691 HA SER 95 HA SER 95 7.818 1.892 9.685 692 HB2 SER 95 2HB SER 95 7.144 -0.299 11.069 693 HB3 SER 95 1HB SER 95 8.662 -0.876 10.382 694 HG SER 95 HG SER 95 8.310 0.749 12.448 695 H GLN 96 H GLN 96 7.962 -0.765 7.431 696 HA GLN 96 HA GLN 96 10.690 -0.931 6.940 697 HB2 GLN 96 2HB GLN 96 9.049 -2.478 5.986 698 HB3 GLN 96 1HB GLN 96 8.411 -1.192 4.971 699 HG2 GLN 96 2HG GLN 96 11.170 -1.301 4.462 700 HG3 GLN 96 1HG GLN 96 10.600 -2.967 4.492 701 HE21 GLN 96 1HE2 GLN 96 10.834 -3.296 2.305 702 HE22 GLN 96 2HE2 GLN 96 9.833 -2.527 1.127 703 H LEU 97 H LEU 97 8.321 1.401 5.721 704 HA LEU 97 HA LEU 97 10.015 2.617 3.806 705 HB2 LEU 97 2HB LEU 97 8.422 4.529 3.928 706 HB3 LEU 97 1HB LEU 97 7.676 2.976 3.612 707 HG LEU 97 HG LEU 97 7.473 3.147 6.342 708 HD11 LEU 97 1HD1 LEU 97 7.393 5.901 5.179 709 HD12 LEU 97 2HD1 LEU 97 8.144 5.338 6.673 710 HD13 LEU 97 3HD1 LEU 97 6.390 5.476 6.567 711 HD21 LEU 97 3HD2 LEU 97 5.118 3.585 5.934 712 HD22 LEU 97 1HD2 LEU 97 5.745 2.439 4.751 713 HD23 LEU 97 2HD2 LEU 97 5.482 4.121 4.296 714 H HIS 98 H HIS 98 9.333 3.407 7.204 715 HA HIS 98 HA HIS 98 11.063 5.693 7.206 716 HB2 HIS 98 2HB HIS 98 9.072 4.700 8.892 717 HB3 HIS 98 1HB HIS 98 10.549 4.580 9.839 718 HD1 HIS 98 1HD HIS 98 8.301 6.559 10.590 719 HD2 HIS 98 2HD HIS 98 11.617 7.540 8.281 720 HE1 HIS 98 1HE HIS 98 8.578 9.047 10.831 721 HE2 HIS 98 2HE HIS 98 10.623 9.610 9.471 722 H ARG 99 H ARG 99 11.384 2.295 8.074 723 HA ARG 99 HA ARG 99 13.908 2.577 9.374 724 HB2 ARG 99 2HB ARG 99 12.233 0.292 8.448 725 HB3 ARG 99 1HB ARG 99 13.935 -0.011 8.765 726 HG2 ARG 99 2HG ARG 99 12.252 1.375 10.810 727 HG3 ARG 99 1HG ARG 99 12.198 -0.381 10.643 728 HD2 ARG 99 2HD ARG 99 14.730 -0.330 10.830 729 HD3 ARG 99 1HD ARG 99 14.561 1.351 11.334 730 HE ARG 99 HE ARG 99 13.833 0.628 13.380 731 HH11 ARG 99 1HH1 ARG 99 13.668 -2.056 11.134 732 HH12 ARG 99 2HH1 ARG 99 13.342 -3.227 12.365 733 HH21 ARG 99 1HH2 ARG 99 13.397 -0.922 14.999 734 HH22 ARG 99 2HH2 ARG 99 13.187 -2.584 14.559 735 H PHE 100 H PHE 100 12.902 1.818 6.079 736 HA PHE 100 HA PHE 100 15.520 1.150 5.157 737 HB2 PHE 100 2HB PHE 100 12.898 1.707 3.811 738 HB3 PHE 100 1HB PHE 100 14.372 1.629 2.854 739 HD1 PHE 100 1HD PHE 100 13.654 -0.439 5.840 740 HD2 PHE 100 2HD PHE 100 13.899 -0.298 1.592 741 HE1 PHE 100 1HE PHE 100 13.477 -2.889 5.751 742 HE2 PHE 100 2HE PHE 100 13.724 -2.750 1.500 743 HZ PHE 100 HZ PHE 100 13.512 -4.048 3.578 744 H GLU 101 H GLU 101 13.509 4.080 4.921 745 HA GLU 101 HA GLU 101 15.311 5.595 3.389 746 HB2 GLU 101 2HB GLU 101 12.785 5.998 4.282 747 HB3 GLU 101 1HB GLU 101 13.675 7.065 5.358 748 HG2 GLU 101 2HG GLU 101 14.301 8.473 3.678 749 HG3 GLU 101 1HG GLU 101 14.266 7.207 2.453 750 H ALA 102 H ALA 102 14.986 5.160 6.873 751 HA ALA 102 HA ALA 102 16.848 7.132 7.659 752 HB1 ALA 102 1HB ALA 102 16.383 4.644 9.260 753 HB2 ALA 102 2HB ALA 102 15.106 5.849 9.081 754 HB3 ALA 102 3HB ALA 102 16.645 6.298 9.815 755 H LYS 103 H LYS 103 17.213 3.604 7.235 756 HA LYS 103 HA LYS 103 19.994 3.583 7.785 757 HB2 LYS 103 2HB LYS 103 18.134 1.620 6.461 758 HB3 LYS 103 1HB LYS 103 19.853 1.306 6.638 759 HG2 LYS 103 2HG LYS 103 19.506 1.730 9.126 760 HG3 LYS 103 1HG LYS 103 17.782 1.599 8.780 761 HD2 LYS 103 2HD LYS 103 18.815 -0.602 7.508 762 HD3 LYS 103 1HD LYS 103 19.829 -0.480 8.946 763 HE2 LYS 103 2HE LYS 103 17.415 -0.085 10.056 764 HE3 LYS 103 1HE LYS 103 16.951 -1.101 8.692 765 HZ1 LYS 103 3HZ LYS 103 17.441 -2.710 10.187 766 HZ2 LYS 103 1HZ LYS 103 18.549 -1.760 11.043 767 HZ3 LYS 103 2HZ LYS 103 19.006 -2.487 9.586 768 H GLY 104 H GLY 104 18.130 4.175 4.892 769 HA2 GLY 104 2HA GLY 104 19.037 5.321 3.020 770 HA3 GLY 104 1HA GLY 104 20.627 4.711 3.451 771 H THR 105 H THR 105 17.907 2.541 3.434 772 HA THR 105 HA THR 105 19.009 1.247 1.030 773 HB THR 105 HB THR 105 18.122 -0.836 1.860 774 HG1 THR 105 1HG THR 105 16.337 -0.569 2.951 775 HG21 THR 105 3HG2 THR 105 19.317 0.473 4.281 776 HG22 THR 105 1HG2 THR 105 20.275 0.029 2.871 777 HG23 THR 105 2HG2 THR 105 19.419 -1.216 3.780 778 H LEU 106 H LEU 106 16.897 3.456 1.292 779 HA LEU 106 HA LEU 106 14.452 2.233 0.394 780 HB2 LEU 106 2HB LEU 106 14.884 4.518 1.654 781 HB3 LEU 106 1HB LEU 106 15.027 5.139 0.020 782 HG LEU 106 HG LEU 106 12.695 3.761 -0.176 783 HD11 LEU 106 1HD1 LEU 106 11.499 4.741 1.972 784 HD12 LEU 106 2HD1 LEU 106 13.093 4.478 2.676 785 HD13 LEU 106 3HD1 LEU 106 12.214 3.129 1.957 786 HD21 LEU 106 3HD2 LEU 106 12.570 5.856 -1.027 787 HD22 LEU 106 1HD2 LEU 106 13.435 6.582 0.328 788 HD23 LEU 106 2HD2 LEU 106 11.732 6.156 0.495 789 H GLU 107 H GLU 107 16.954 4.280 -1.114 790 HA GLU 107 HA GLU 107 15.874 4.162 -3.730 791 HB2 GLU 107 2HB GLU 107 17.477 5.892 -2.942 792 HB3 GLU 107 1HB GLU 107 18.742 4.669 -2.915 793 HG2 GLU 107 2HG GLU 107 17.472 4.671 -5.476 794 HG3 GLU 107 1HG GLU 107 17.956 6.311 -5.053 795 H GLU 108 H GLU 108 18.369 2.257 -2.073 796 HA GLU 108 HA GLU 108 19.252 0.733 -4.237 797 HB2 GLU 108 2HB GLU 108 20.326 0.802 -1.996 798 HB3 GLU 108 1HB GLU 108 19.005 -0.169 -1.360 799 HG2 GLU 108 2HG GLU 108 19.797 -2.076 -2.250 800 HG3 GLU 108 1HG GLU 108 20.388 -1.280 -3.709 801 H GLU 109 H GLU 109 16.685 -0.026 -1.868 802 HA GLU 109 HA GLU 109 15.904 -2.460 -3.065 803 HB2 GLU 109 2HB GLU 109 15.213 -1.094 -0.769 804 HB3 GLU 109 1HB GLU 109 13.741 -1.010 -1.727 805 HG2 GLU 109 2HG GLU 109 14.821 -3.666 -1.815 806 HG3 GLU 109 1HG GLU 109 14.645 -3.133 -0.145 807 H LEU 110 H LEU 110 14.819 0.877 -3.535 808 HA LEU 110 HA LEU 110 12.597 0.381 -5.156 809 HB2 LEU 110 2HB LEU 110 13.690 2.606 -4.142 810 HB3 LEU 110 1HB LEU 110 14.283 2.740 -5.786 811 HG LEU 110 HG LEU 110 11.831 2.425 -6.499 812 HD11 LEU 110 1HD1 LEU 110 11.378 1.869 -3.913 813 HD12 LEU 110 2HD1 LEU 110 10.153 2.534 -4.993 814 HD13 LEU 110 3HD1 LEU 110 11.043 3.601 -3.908 815 HD21 LEU 110 3HD2 LEU 110 11.365 4.894 -5.856 816 HD22 LEU 110 1HD2 LEU 110 12.723 4.521 -6.916 817 HD23 LEU 110 2HD2 LEU 110 13.006 4.857 -5.209 818 H THR 111 H THR 111 16.030 0.607 -5.970 819 HA THR 111 HA THR 111 15.564 0.400 -8.802 820 HB THR 111 HB THR 111 18.171 -0.044 -7.333 821 HG1 THR 111 1HG THR 111 18.434 2.073 -7.237 822 HG21 THR 111 3HG2 THR 111 17.717 -0.414 -9.957 823 HG22 THR 111 1HG2 THR 111 19.253 0.138 -9.290 824 HG23 THR 111 2HG2 THR 111 18.105 1.307 -9.942 825 H LYS 112 H LYS 112 16.335 -1.802 -6.161 826 HA LYS 112 HA LYS 112 17.033 -4.051 -7.713 827 HB2 LYS 112 2HB LYS 112 17.300 -3.638 -5.166 828 HB3 LYS 112 1HB LYS 112 15.666 -4.276 -5.046 829 HG2 LYS 112 2HG LYS 112 16.466 -6.330 -6.224 830 HG3 LYS 112 1HG LYS 112 18.106 -5.690 -6.099 831 HD2 LYS 112 2HD LYS 112 17.556 -5.480 -3.570 832 HD3 LYS 112 1HD LYS 112 16.268 -6.629 -3.928 833 HE2 LYS 112 2HE LYS 112 19.238 -7.002 -4.250 834 HE3 LYS 112 1HE LYS 112 18.138 -7.896 -3.202 835 HZ1 LYS 112 3HZ LYS 112 18.300 -9.367 -4.898 836 HZ2 LYS 112 1HZ LYS 112 18.625 -8.186 -6.066 837 HZ3 LYS 112 2HZ LYS 112 17.038 -8.437 -5.536 838 H ILE 113 H ILE 113 13.904 -2.989 -6.386 839 HA ILE 113 HA ILE 113 12.417 -5.233 -7.235 840 HB ILE 113 HB ILE 113 10.411 -3.813 -6.977 841 HG12 ILE 113 2HG1 ILE 113 12.391 -1.613 -6.343 842 HG13 ILE 113 1HG1 ILE 113 11.387 -1.694 -7.787 843 HG21 ILE 113 1HG2 ILE 113 11.817 -4.901 -5.064 844 HG22 ILE 113 2HG2 ILE 113 10.472 -3.827 -4.683 845 HG23 ILE 113 3HG2 ILE 113 12.127 -3.224 -4.613 846 HD11 ILE 113 3HD1 ILE 113 10.291 -1.560 -4.993 847 HD12 ILE 113 1HD1 ILE 113 9.404 -1.395 -6.507 848 HD13 ILE 113 2HD1 ILE 113 10.559 -0.154 -6.023 849 H GLY 114 H GLY 114 13.517 -2.404 -8.941 850 HA2 GLY 114 2HA GLY 114 13.661 -2.482 -11.342 851 HA3 GLY 114 1HA GLY 114 12.180 -3.426 -11.359 852 H LEU 115 H LEU 115 12.351 -0.662 -9.256 853 HA LEU 115 HA LEU 115 10.220 0.622 -10.731 854 HB2 LEU 115 2HB LEU 115 10.793 0.483 -8.086 855 HB3 LEU 115 1HB LEU 115 11.498 2.042 -8.470 856 HG LEU 115 HG LEU 115 9.093 2.360 -9.631 857 HD11 LEU 115 1HD1 LEU 115 7.398 1.160 -8.747 858 HD12 LEU 115 2HD1 LEU 115 8.180 1.003 -7.174 859 HD13 LEU 115 3HD1 LEU 115 8.667 -0.042 -8.508 860 HD21 LEU 115 3HD2 LEU 115 10.422 3.526 -7.630 861 HD22 LEU 115 1HD2 LEU 115 9.116 2.791 -6.704 862 HD23 LEU 115 2HD2 LEU 115 8.746 3.909 -8.017 863 H LEU 116 H LEU 116 13.587 1.339 -9.872 864 HA LEU 116 HA LEU 116 13.617 3.818 -11.324 865 HB2 LEU 116 2HB LEU 116 15.364 2.411 -9.504 866 HB3 LEU 116 1HB LEU 116 16.263 3.003 -10.887 867 HG LEU 116 HG LEU 116 14.528 5.080 -9.931 868 HD11 LEU 116 1HD1 LEU 116 15.684 5.417 -7.731 869 HD12 LEU 116 2HD1 LEU 116 16.271 3.759 -7.863 870 HD13 LEU 116 3HD1 LEU 116 14.538 4.076 -7.777 871 HD21 LEU 116 3HD2 LEU 116 16.911 4.922 -11.165 872 HD22 LEU 116 1HD2 LEU 116 17.444 5.243 -9.514 873 HD23 LEU 116 2HD2 LEU 116 16.344 6.362 -10.320 874 HA PRO 117 HA PRO 117 16.489 1.116 -14.301 875 HB2 PRO 117 2HB PRO 117 15.122 -1.490 -13.838 876 HB3 PRO 117 1HB PRO 117 16.825 -1.157 -14.169 877 HG2 PRO 117 2HG PRO 117 16.028 -1.800 -11.719 878 HG3 PRO 117 1HG PRO 117 17.272 -0.565 -11.974 879 HD2 PRO 117 2HD PRO 117 14.389 -0.234 -11.268 880 HD3 PRO 117 1HD PRO 117 15.800 0.694 -10.717 Start of MODEL 17 1 H MET 9 1HT MET 9 -16.763 -14.042 1.434 2 HA MET 9 HA MET 9 -16.369 -15.806 -0.144 3 HB2 MET 9 2HB MET 9 -18.164 -13.551 -1.075 4 HB3 MET 9 1HB MET 9 -18.288 -15.219 -1.609 5 HG2 MET 9 2HG MET 9 -18.430 -15.517 1.087 6 HG3 MET 9 1HG MET 9 -19.211 -13.952 0.865 7 HE1 MET 9 2HE MET 9 -22.412 -15.949 1.211 8 HE2 MET 9 3HE MET 9 -21.251 -14.833 1.930 9 HE3 MET 9 1HE MET 9 -20.976 -16.572 2.023 10 H SER 10 H SER 10 -16.392 -16.209 -2.569 11 HA SER 10 HA SER 10 -14.003 -15.383 -3.728 12 HB2 SER 10 2HB SER 10 -14.761 -16.452 -5.751 13 HB3 SER 10 1HB SER 10 -15.343 -17.401 -4.384 14 HG SER 10 HG SER 10 -17.378 -16.573 -4.684 15 H ALA 11 H ALA 11 -17.257 -14.043 -4.080 16 HA ALA 11 HA ALA 11 -16.837 -12.319 -6.220 17 HB1 ALA 11 1HB ALA 11 -18.751 -12.417 -3.959 18 HB2 ALA 11 2HB ALA 11 -19.045 -12.407 -5.698 19 HB3 ALA 11 3HB ALA 11 -18.634 -10.906 -4.864 20 H PHE 12 H PHE 12 -15.788 -12.015 -2.898 21 HA PHE 12 HA PHE 12 -14.879 -9.266 -3.430 22 HB2 PHE 12 2HB PHE 12 -16.272 -10.231 -1.277 23 HB3 PHE 12 1HB PHE 12 -14.619 -10.284 -0.682 24 HD1 PHE 12 1HD PHE 12 -16.293 -7.816 -2.930 25 HD2 PHE 12 2HD PHE 12 -14.422 -8.553 0.822 26 HE1 PHE 12 1HE PHE 12 -16.413 -5.415 -2.401 27 HE2 PHE 12 2HE PHE 12 -14.538 -6.155 1.355 28 HZ PHE 12 HZ PHE 12 -15.535 -4.582 -0.256 29 H VAL 13 H VAL 13 -13.787 -12.441 -2.281 30 HA VAL 13 HA VAL 13 -11.088 -11.615 -1.827 31 HB VAL 13 HB VAL 13 -12.107 -14.433 -2.228 32 HG11 VAL 13 1HG1 VAL 13 -9.614 -13.984 -2.374 33 HG12 VAL 13 2HG1 VAL 13 -10.128 -15.170 -1.174 34 HG13 VAL 13 3HG1 VAL 13 -9.696 -13.537 -0.669 35 HG21 VAL 13 3HG2 VAL 13 -12.882 -14.492 -0.116 36 HG22 VAL 13 1HG2 VAL 13 -12.970 -12.739 -0.284 37 HG23 VAL 13 2HG2 VAL 13 -11.575 -13.480 0.499 38 H THR 14 H THR 14 -12.603 -13.598 -4.394 39 HA THR 14 HA THR 14 -10.269 -13.901 -5.934 40 HB THR 14 HB THR 14 -13.053 -13.826 -7.092 41 HG1 THR 14 1HG THR 14 -11.832 -15.880 -5.565 42 HG21 THR 14 3HG2 THR 14 -11.425 -14.190 -8.770 43 HG22 THR 14 1HG2 THR 14 -12.173 -15.748 -8.419 44 HG23 THR 14 2HG2 THR 14 -10.574 -15.376 -7.778 45 H LYS 15 H LYS 15 -12.813 -11.432 -5.995 46 HA LYS 15 HA LYS 15 -11.942 -10.083 -8.308 47 HB2 LYS 15 2HB LYS 15 -13.901 -9.674 -6.248 48 HB3 LYS 15 1HB LYS 15 -13.044 -8.167 -6.542 49 HG2 LYS 15 2HG LYS 15 -14.725 -7.976 -8.064 50 HG3 LYS 15 1HG LYS 15 -13.506 -8.776 -9.059 51 HD2 LYS 15 2HD LYS 15 -15.541 -10.352 -7.515 52 HD3 LYS 15 1HD LYS 15 -15.915 -9.686 -9.104 53 HE2 LYS 15 2HE LYS 15 -13.531 -11.446 -8.562 54 HE3 LYS 15 1HE LYS 15 -15.095 -12.070 -9.080 55 HZ1 LYS 15 3HZ LYS 15 -13.344 -10.197 -10.581 56 HZ2 LYS 15 1HZ LYS 15 -14.905 -10.634 -11.065 57 HZ3 LYS 15 2HZ LYS 15 -13.687 -11.803 -10.980 58 H ALA 16 H ALA 16 -10.950 -9.890 -4.943 59 HA ALA 16 HA ALA 16 -9.422 -7.529 -5.080 60 HB1 ALA 16 1HB ALA 16 -9.009 -9.936 -3.303 61 HB2 ALA 16 2HB ALA 16 -10.061 -8.563 -2.958 62 HB3 ALA 16 3HB ALA 16 -8.315 -8.336 -3.054 63 H GLU 17 H GLU 17 -8.520 -10.941 -5.553 64 HA GLU 17 HA GLU 17 -5.780 -10.520 -6.021 65 HB2 GLU 17 2HB GLU 17 -7.704 -12.715 -6.666 66 HB3 GLU 17 1HB GLU 17 -6.120 -12.730 -7.430 67 HG2 GLU 17 2HG GLU 17 -6.001 -12.256 -4.559 68 HG3 GLU 17 1HG GLU 17 -6.739 -13.800 -4.988 69 H GLU 18 H GLU 18 -8.572 -10.391 -8.173 70 HA GLU 18 HA GLU 18 -7.094 -10.217 -10.593 71 HB2 GLU 18 2HB GLU 18 -9.925 -9.583 -9.821 72 HB3 GLU 18 1HB GLU 18 -9.319 -9.158 -11.415 73 HG2 GLU 18 2HG GLU 18 -8.609 -11.856 -10.884 74 HG3 GLU 18 1HG GLU 18 -10.318 -11.642 -10.509 75 H MET 19 H MET 19 -8.207 -7.848 -8.241 76 HA MET 19 HA MET 19 -7.733 -5.550 -9.837 77 HB2 MET 19 2HB MET 19 -8.662 -6.106 -7.189 78 HB3 MET 19 1HB MET 19 -7.403 -4.881 -7.098 79 HG2 MET 19 2HG MET 19 -9.094 -3.469 -7.474 80 HG3 MET 19 1HG MET 19 -8.853 -3.927 -9.158 81 HE1 MET 19 3HE MET 19 -11.687 -6.451 -9.841 82 HE2 MET 19 1HE MET 19 -10.002 -6.794 -9.449 83 HE3 MET 19 2HE MET 19 -10.401 -5.457 -10.527 84 H ILE 20 H ILE 20 -5.799 -7.137 -7.293 85 HA ILE 20 HA ILE 20 -3.590 -5.368 -7.572 86 HB ILE 20 HB ILE 20 -2.363 -7.133 -6.262 87 HG12 ILE 20 2HG1 ILE 20 -4.881 -8.449 -5.502 88 HG13 ILE 20 1HG1 ILE 20 -4.322 -8.827 -7.126 89 HG21 ILE 20 1HG2 ILE 20 -3.127 -6.258 -4.321 90 HG22 ILE 20 2HG2 ILE 20 -4.819 -6.546 -4.732 91 HG23 ILE 20 3HG2 ILE 20 -3.962 -5.172 -5.433 92 HD11 ILE 20 3HD1 ILE 20 -2.060 -9.302 -5.972 93 HD12 ILE 20 1HD1 ILE 20 -3.360 -10.486 -5.850 94 HD13 ILE 20 2HD1 ILE 20 -3.028 -9.399 -4.501 95 H LYS 21 H LYS 21 -4.699 -7.993 -9.439 96 HA LYS 21 HA LYS 21 -2.299 -9.137 -10.313 97 HB2 LYS 21 2HB LYS 21 -5.092 -9.203 -11.076 98 HB3 LYS 21 1HB LYS 21 -4.049 -9.223 -12.491 99 HG2 LYS 21 2HG LYS 21 -3.156 -11.043 -10.404 100 HG3 LYS 21 1HG LYS 21 -4.784 -11.399 -10.985 101 HD2 LYS 21 2HD LYS 21 -4.036 -12.133 -12.963 102 HD3 LYS 21 1HD LYS 21 -2.899 -10.792 -13.130 103 HE2 LYS 21 2HE LYS 21 -1.180 -11.985 -12.306 104 HE3 LYS 21 1HE LYS 21 -2.177 -12.751 -11.072 105 HZ1 LYS 21 3HZ LYS 21 -2.486 -13.556 -13.887 106 HZ2 LYS 21 1HZ LYS 21 -2.772 -14.449 -12.477 107 HZ3 LYS 21 2HZ LYS 21 -1.186 -14.160 -12.986 108 H SER 22 H SER 22 -4.339 -6.806 -12.098 109 HA SER 22 HA SER 22 -2.105 -6.082 -13.794 110 HB2 SER 22 2HB SER 22 -5.035 -5.594 -13.797 111 HB3 SER 22 1HB SER 22 -4.028 -4.361 -14.554 112 HG SER 22 HG SER 22 -3.926 -7.133 -15.164 113 H HIS 23 H HIS 23 -3.540 -4.957 -10.881 114 HA HIS 23 HA HIS 23 -1.995 -2.460 -11.101 115 HB2 HIS 23 2HB HIS 23 -4.571 -2.922 -9.585 116 HB3 HIS 23 1HB HIS 23 -3.619 -1.443 -9.523 117 HD1 HIS 23 1HD HIS 23 -6.040 -3.305 -11.636 118 HD2 HIS 23 2HD HIS 23 -3.748 0.155 -11.857 119 HE1 HIS 23 1HE HIS 23 -6.969 -2.005 -13.579 120 HE2 HIS 23 2HE HIS 23 -5.497 0.032 -13.757 121 HA PRO 24 HA PRO 24 -0.426 -5.163 -7.569 122 HB2 PRO 24 2HB PRO 24 2.180 -5.161 -8.348 123 HB3 PRO 24 1HB PRO 24 1.008 -6.376 -8.872 124 HG2 PRO 24 2HG PRO 24 1.991 -3.944 -10.315 125 HG3 PRO 24 1HG PRO 24 1.713 -5.581 -10.938 126 HD2 PRO 24 2HD PRO 24 -0.047 -3.568 -11.325 127 HD3 PRO 24 1HD PRO 24 -0.558 -5.258 -11.139 128 H TYR 25 H TYR 25 0.286 -2.064 -8.915 129 HA TYR 25 HA TYR 25 1.918 -1.264 -6.635 130 HB2 TYR 25 2HB TYR 25 1.330 -0.131 -9.330 131 HB3 TYR 25 1HB TYR 25 1.723 0.999 -8.042 132 HD1 TYR 25 2HD TYR 25 3.831 -0.197 -6.540 133 HD2 TYR 25 1HD TYR 25 3.133 -0.416 -10.732 134 HE1 TYR 25 2HE TYR 25 6.227 -0.598 -6.913 135 HE2 TYR 25 1HE TYR 25 5.529 -0.818 -11.117 136 HH TYR 25 HH TYR 25 7.570 -1.881 -9.097 137 H PHE 26 H PHE 26 0.026 -1.624 -5.187 138 HA PHE 26 HA PHE 26 -1.807 0.683 -5.256 139 HB2 PHE 26 2HB PHE 26 -2.327 -2.135 -5.029 140 HB3 PHE 26 1HB PHE 26 -2.882 -1.322 -3.572 141 HD1 PHE 26 2HD PHE 26 -2.879 -0.344 -7.179 142 HD2 PHE 26 1HD PHE 26 -5.157 -1.063 -3.656 143 HE1 PHE 26 2HE PHE 26 -4.919 0.368 -8.356 144 HE2 PHE 26 1HE PHE 26 -7.200 -0.356 -4.830 145 HZ PHE 26 HZ PHE 26 -7.083 0.362 -7.182 146 H GLN 27 H GLN 27 -1.503 2.122 -3.678 147 HA GLN 27 HA GLN 27 -0.197 1.227 -1.188 148 HB2 GLN 27 2HB GLN 27 -0.058 3.824 -2.700 149 HB3 GLN 27 1HB GLN 27 0.340 3.756 -0.989 150 HG2 GLN 27 2HG GLN 27 1.884 1.767 -1.800 151 HG3 GLN 27 1HG GLN 27 1.789 2.643 -3.327 152 HE21 GLN 27 1HE2 GLN 27 3.764 3.534 -3.482 153 HE22 GLN 27 2HE2 GLN 27 4.470 4.584 -2.307 154 H LEU 28 H LEU 28 -1.405 1.222 0.576 155 HA LEU 28 HA LEU 28 -3.927 2.718 0.595 156 HB2 LEU 28 2HB LEU 28 -3.009 0.621 2.561 157 HB3 LEU 28 1HB LEU 28 -4.632 1.253 2.366 158 HG LEU 28 HG LEU 28 -3.235 -0.294 0.191 159 HD11 LEU 28 1HD1 LEU 28 -4.584 -1.250 2.643 160 HD12 LEU 28 2HD1 LEU 28 -3.310 -1.997 1.678 161 HD13 LEU 28 3HD1 LEU 28 -4.988 -2.071 1.136 162 HD21 LEU 28 3HD2 LEU 28 -5.426 1.241 0.008 163 HD22 LEU 28 1HD2 LEU 28 -6.171 -0.270 0.529 164 HD23 LEU 28 2HD2 LEU 28 -5.194 -0.228 -0.938 165 H SER 29 H SER 29 -3.973 4.623 1.610 166 HA SER 29 HA SER 29 -2.149 5.034 3.889 167 HB2 SER 29 2HB SER 29 -1.979 7.380 3.272 168 HB3 SER 29 1HB SER 29 -1.533 6.374 1.895 169 HG SER 29 HG SER 29 -3.501 6.805 0.956 170 H ALA 30 H ALA 30 -2.874 6.416 5.600 171 HA ALA 30 HA ALA 30 -5.763 6.233 6.021 172 HB1 ALA 30 1HB ALA 30 -4.887 7.094 8.391 173 HB2 ALA 30 2HB ALA 30 -3.393 6.369 7.795 174 HB3 ALA 30 3HB ALA 30 -4.856 5.391 7.926 175 H SER 31 H SER 31 -6.834 8.050 7.184 176 HA SER 31 HA SER 31 -5.922 10.630 6.100 177 HB2 SER 31 2HB SER 31 -8.728 10.237 7.057 178 HB3 SER 31 1HB SER 31 -8.119 11.252 5.751 179 HG SER 31 HG SER 31 -8.761 8.529 5.749 180 H TRP 32 H TRP 32 -4.801 9.656 8.496 181 HA TRP 32 HA TRP 32 -5.387 11.847 10.253 182 HB2 TRP 32 2HB TRP 32 -5.864 10.379 12.250 183 HB3 TRP 32 1HB TRP 32 -7.157 10.459 11.059 184 HD1 TRP 32 HD TRP 32 -4.582 8.047 12.533 185 HE1 TRP 32 1HE TRP 32 -5.207 5.648 11.840 186 HE3 TRP 32 3HE TRP 32 -8.353 9.105 9.247 187 HZ2 TRP 32 2HZ TRP 32 -7.055 4.373 10.127 188 HZ3 TRP 32 3HZ TRP 32 -9.497 7.241 8.121 189 HH2 TRP 32 HH TRP 32 -8.859 4.924 8.554 190 H CYS 33 H CYS 33 -3.761 8.693 9.941 191 HA CYS 33 HA CYS 33 -1.684 9.327 11.791 192 HB2 CYS 33 2HB CYS 33 -2.259 7.114 9.887 193 HB3 CYS 33 1HB CYS 33 -0.589 7.317 10.405 194 HG CYS 33 HG CYS 33 -1.780 5.672 12.032 195 HA PRO 34 HA PRO 34 1.014 11.699 9.204 196 HB2 PRO 34 2HB PRO 34 3.414 11.119 10.334 197 HB3 PRO 34 1HB PRO 34 2.226 12.188 11.087 198 HG2 PRO 34 2HG PRO 34 2.811 9.309 11.649 199 HG3 PRO 34 1HG PRO 34 2.481 10.629 12.786 200 HD2 PRO 34 2HD PRO 34 0.608 8.800 12.076 201 HD3 PRO 34 1HD PRO 34 0.205 10.475 12.503 202 H ASP 35 H ASP 35 1.363 8.254 9.481 203 HA ASP 35 HA ASP 35 3.547 7.744 7.851 204 HB2 ASP 35 2HB ASP 35 1.095 6.230 8.587 205 HB3 ASP 35 1HB ASP 35 2.025 5.640 7.214 206 H CYS 36 H CYS 36 0.204 8.476 6.949 207 HA CYS 36 HA CYS 36 0.426 7.881 4.208 208 HB2 CYS 36 2HB CYS 36 -1.597 9.166 3.910 209 HB3 CYS 36 1HB CYS 36 -1.727 8.243 5.402 210 HG CYS 36 HG CYS 36 -1.238 11.317 5.333 211 H VAL 37 H VAL 37 1.123 10.819 6.045 212 HA VAL 37 HA VAL 37 1.665 12.428 3.748 213 HB VAL 37 HB VAL 37 2.656 12.914 6.561 214 HG11 VAL 37 1HG1 VAL 37 2.373 14.599 4.101 215 HG12 VAL 37 2HG1 VAL 37 3.763 14.412 5.170 216 HG13 VAL 37 3HG1 VAL 37 2.359 15.334 5.704 217 HG21 VAL 37 3HG2 VAL 37 0.028 13.714 5.305 218 HG22 VAL 37 1HG2 VAL 37 0.626 14.282 6.864 219 HG23 VAL 37 2HG2 VAL 37 0.252 12.575 6.632 220 H TYR 38 H TYR 38 3.625 10.438 5.916 221 HA TYR 38 HA TYR 38 6.161 11.272 4.995 222 HB2 TYR 38 2HB TYR 38 5.738 9.956 7.088 223 HB3 TYR 38 1HB TYR 38 5.428 8.544 6.084 224 HD1 TYR 38 2HD TYR 38 8.023 10.951 7.147 225 HD2 TYR 38 1HD TYR 38 7.223 7.279 5.150 226 HE1 TYR 38 2HE TYR 38 10.424 10.427 7.161 227 HE2 TYR 38 1HE TYR 38 9.624 6.744 5.160 228 HH TYR 38 HH TYR 38 11.960 8.743 5.474 229 H ALA 39 H ALA 39 4.125 8.496 4.056 230 HA ALA 39 HA ALA 39 5.859 7.453 2.105 231 HB1 ALA 39 1HB ALA 39 2.872 7.210 1.930 232 HB2 ALA 39 2HB ALA 39 3.803 6.355 3.161 233 HB3 ALA 39 3HB ALA 39 4.109 6.047 1.452 234 H ASN 40 H ASN 40 3.315 9.909 1.883 235 HA ASN 40 HA ASN 40 3.460 10.113 -0.970 236 HB2 ASN 40 2HB ASN 40 2.032 11.556 1.208 237 HB3 ASN 40 1HB ASN 40 2.257 12.409 -0.316 238 HD21 ASN 40 1HD2 ASN 40 0.017 10.850 1.261 239 HD22 ASN 40 2HD2 ASN 40 -0.795 10.015 -0.015 240 H SER 41 H SER 41 5.019 11.676 1.743 241 HA SER 41 HA SER 41 6.016 13.943 0.462 242 HB2 SER 41 2HB SER 41 6.065 13.501 2.937 243 HB3 SER 41 1HB SER 41 7.413 12.399 2.655 244 HG SER 41 HG SER 41 8.649 14.105 1.957 245 H ILE 42 H ILE 42 7.426 10.702 0.819 246 HA ILE 42 HA ILE 42 9.846 11.274 -0.527 247 HB ILE 42 HB ILE 42 8.505 8.573 -0.346 248 HG12 ILE 42 2HG1 ILE 42 8.678 9.612 1.886 249 HG13 ILE 42 1HG1 ILE 42 9.759 8.236 1.729 250 HG21 ILE 42 1HG2 ILE 42 11.135 9.538 -1.235 251 HG22 ILE 42 2HG2 ILE 42 10.257 8.069 -1.662 252 HG23 ILE 42 3HG2 ILE 42 11.175 8.142 -0.158 253 HD11 ILE 42 3HD1 ILE 42 11.482 9.493 2.296 254 HD12 ILE 42 1HD1 ILE 42 10.383 10.851 2.535 255 HD13 ILE 42 2HD1 ILE 42 11.151 10.605 0.967 256 H TRP 43 H TRP 43 6.734 9.990 -1.646 257 HA TRP 43 HA TRP 43 7.559 9.473 -4.303 258 HB2 TRP 43 2HB TRP 43 5.041 9.477 -2.805 259 HB3 TRP 43 1HB TRP 43 4.852 9.943 -4.493 260 HD1 TRP 43 HD TRP 43 3.826 7.798 -5.517 261 HE1 TRP 43 1HE TRP 43 4.567 5.344 -5.703 262 HE3 TRP 43 3HE TRP 43 7.900 7.933 -2.426 263 HZ2 TRP 43 2HZ TRP 43 6.606 3.681 -4.682 264 HZ3 TRP 43 3HZ TRP 43 9.189 5.867 -2.085 265 HH2 TRP 43 HH TRP 43 8.552 3.785 -3.191 266 H ASN 44 H ASN 44 6.280 12.335 -2.701 267 HA ASN 44 HA ASN 44 5.734 13.834 -5.042 268 HB2 ASN 44 2HB ASN 44 5.353 14.205 -2.314 269 HB3 ASN 44 1HB ASN 44 6.512 15.457 -2.747 270 HD21 ASN 44 1HD2 ASN 44 5.824 17.216 -3.835 271 HD22 ASN 44 2HD2 ASN 44 4.201 17.459 -4.373 272 H LYS 45 H LYS 45 8.637 13.370 -3.108 273 HA LYS 45 HA LYS 45 10.107 15.433 -4.499 274 HB2 LYS 45 2HB LYS 45 10.380 14.361 -2.030 275 HB3 LYS 45 1HB LYS 45 11.569 13.407 -2.906 276 HG2 LYS 45 2HG LYS 45 11.568 16.387 -3.144 277 HG3 LYS 45 1HG LYS 45 12.287 15.602 -1.737 278 HD2 LYS 45 2HD LYS 45 13.027 14.668 -4.478 279 HD3 LYS 45 1HD LYS 45 13.743 16.151 -3.845 280 HE2 LYS 45 2HE LYS 45 14.325 14.754 -1.773 281 HE3 LYS 45 1HE LYS 45 13.967 13.352 -2.781 282 HZ1 LYS 45 3HZ LYS 45 15.787 15.342 -3.897 283 HZ2 LYS 45 1HZ LYS 45 15.817 13.655 -4.021 284 HZ3 LYS 45 2HZ LYS 45 16.378 14.411 -2.616 285 H LEU 46 H LEU 46 9.787 11.924 -4.612 286 HA LEU 46 HA LEU 46 11.968 11.598 -6.459 287 HB2 LEU 46 2HB LEU 46 9.936 9.784 -5.239 288 HB3 LEU 46 1HB LEU 46 10.810 9.247 -6.660 289 HG LEU 46 HG LEU 46 12.164 10.164 -4.125 290 HD11 LEU 46 1HD1 LEU 46 12.591 7.692 -3.826 291 HD12 LEU 46 2HD1 LEU 46 11.326 7.421 -5.024 292 HD13 LEU 46 3HD1 LEU 46 10.943 8.237 -3.509 293 HD21 LEU 46 3HD2 LEU 46 14.135 9.674 -5.114 294 HD22 LEU 46 1HD2 LEU 46 13.230 9.990 -6.593 295 HD23 LEU 46 2HD2 LEU 46 13.462 8.333 -6.038 296 H ASN 47 H ASN 47 8.810 12.694 -6.836 297 HA ASN 47 HA ASN 47 7.409 12.969 -8.599 298 HB2 ASN 47 2HB ASN 47 9.427 14.162 -9.419 299 HB3 ASN 47 1HB ASN 47 9.962 12.675 -10.190 300 HD21 ASN 47 1HD2 ASN 47 6.968 14.597 -10.018 301 HD22 ASN 47 2HD2 ASN 47 6.662 14.571 -11.717 302 H VAL 48 H VAL 48 7.348 10.417 -7.641 303 HA VAL 48 HA VAL 48 7.026 8.819 -10.096 304 HB VAL 48 HB VAL 48 7.480 6.784 -8.696 305 HG11 VAL 48 1HG1 VAL 48 10.051 7.512 -8.444 306 HG12 VAL 48 2HG1 VAL 48 9.474 8.815 -9.482 307 HG13 VAL 48 3HG1 VAL 48 9.296 7.136 -9.992 308 HG21 VAL 48 3HG2 VAL 48 8.799 8.606 -6.714 309 HG22 VAL 48 1HG2 VAL 48 8.386 6.900 -6.554 310 HG23 VAL 48 2HG2 VAL 48 7.116 8.123 -6.520 311 H GLN 49 H GLN 49 4.994 10.434 -9.066 312 HA GLN 49 HA GLN 49 3.216 8.664 -7.572 313 HB2 GLN 49 2HB GLN 49 1.741 10.601 -7.372 314 HB3 GLN 49 1HB GLN 49 3.370 10.998 -6.845 315 HG2 GLN 49 2HG GLN 49 3.774 12.348 -8.684 316 HG3 GLN 49 1HG GLN 49 2.499 11.595 -9.643 317 HE21 GLN 49 1HE2 GLN 49 3.286 14.026 -7.339 318 HE22 GLN 49 2HE2 GLN 49 1.725 14.761 -7.255 319 H ASP 50 H ASP 50 4.016 8.434 -10.541 320 HA ASP 50 HA ASP 50 1.285 8.333 -11.634 321 HB2 ASP 50 2HB ASP 50 3.509 9.644 -12.677 322 HB3 ASP 50 1HB ASP 50 3.404 8.161 -13.624 323 H LYS 51 H LYS 51 4.434 6.694 -11.585 324 HA LYS 51 HA LYS 51 3.623 4.374 -12.967 325 HB2 LYS 51 2HB LYS 51 5.834 4.662 -10.924 326 HB3 LYS 51 1HB LYS 51 5.668 3.353 -12.085 327 HG2 LYS 51 2HG LYS 51 6.424 4.607 -13.821 328 HG3 LYS 51 1HG LYS 51 5.780 6.112 -13.164 329 HD2 LYS 51 2HD LYS 51 7.569 5.954 -11.384 330 HD3 LYS 51 1HD LYS 51 8.277 4.646 -12.335 331 HE2 LYS 51 2HE LYS 51 9.425 6.275 -13.359 332 HE3 LYS 51 1HE LYS 51 7.923 6.582 -14.226 333 HZ1 LYS 51 3HZ LYS 51 7.461 8.067 -12.125 334 HZ2 LYS 51 1HZ LYS 51 8.369 8.653 -13.427 335 HZ3 LYS 51 2HZ LYS 51 9.149 8.094 -12.036 336 H VAL 52 H VAL 52 3.235 5.365 -9.651 337 HA VAL 52 HA VAL 52 2.234 2.690 -8.936 338 HB VAL 52 HB VAL 52 2.989 4.914 -7.035 339 HG11 VAL 52 1HG1 VAL 52 2.343 2.001 -6.657 340 HG12 VAL 52 2HG1 VAL 52 1.527 3.400 -5.960 341 HG13 VAL 52 3HG1 VAL 52 3.153 2.972 -5.429 342 HG21 VAL 52 3HG2 VAL 52 4.976 3.222 -6.642 343 HG22 VAL 52 1HG2 VAL 52 5.064 4.468 -7.887 344 HG23 VAL 52 2HG2 VAL 52 4.650 2.810 -8.326 345 H PHE 53 H PHE 53 0.272 2.614 -7.589 346 HA PHE 53 HA PHE 53 -1.498 4.894 -8.108 347 HB2 PHE 53 2HB PHE 53 -1.893 1.983 -8.422 348 HB3 PHE 53 1HB PHE 53 -3.227 2.840 -7.658 349 HD1 PHE 53 2HD PHE 53 -3.999 5.026 -8.902 350 HD2 PHE 53 1HD PHE 53 -1.832 1.844 -10.717 351 HE1 PHE 53 2HE PHE 53 -4.808 5.740 -11.113 352 HE2 PHE 53 1HE PHE 53 -2.637 2.552 -12.930 353 HZ PHE 53 HZ PHE 53 -4.127 4.502 -13.131 354 H VAL 54 H VAL 54 -1.768 6.001 -6.354 355 HA VAL 54 HA VAL 54 -1.747 4.722 -3.724 356 HB VAL 54 HB VAL 54 -1.914 7.683 -4.277 357 HG11 VAL 54 1HG1 VAL 54 -1.651 8.009 -2.060 358 HG12 VAL 54 2HG1 VAL 54 -0.583 6.619 -1.870 359 HG13 VAL 54 3HG1 VAL 54 -2.329 6.385 -1.956 360 HG21 VAL 54 3HG2 VAL 54 0.555 7.701 -3.822 361 HG22 VAL 54 1HG2 VAL 54 0.090 6.981 -5.364 362 HG23 VAL 54 2HG2 VAL 54 0.538 5.947 -4.006 363 H PHE 55 H PHE 55 -3.509 4.457 -2.508 364 HA PHE 55 HA PHE 55 -5.978 5.877 -3.240 365 HB2 PHE 55 2HB PHE 55 -5.827 3.432 -4.078 366 HB3 PHE 55 1HB PHE 55 -6.029 2.995 -2.387 367 HD1 PHE 55 2HD PHE 55 -7.615 5.336 -4.838 368 HD2 PHE 55 1HD PHE 55 -8.148 2.465 -1.743 369 HE1 PHE 55 2HE PHE 55 -10.055 5.528 -5.084 370 HE2 PHE 55 1HE PHE 55 -10.587 2.651 -1.984 371 HZ PHE 55 HZ PHE 55 -11.544 4.183 -3.656 372 H ASP 56 H ASP 56 -6.596 7.039 -1.552 373 HA ASP 56 HA ASP 56 -5.731 6.374 1.124 374 HB2 ASP 56 2HB ASP 56 -7.149 8.428 1.717 375 HB3 ASP 56 1HB ASP 56 -5.723 8.699 0.726 376 H ILE 57 H ILE 57 -7.108 5.976 2.896 377 HA ILE 57 HA ILE 57 -9.575 4.593 2.141 378 HB ILE 57 HB ILE 57 -8.128 4.508 4.791 379 HG12 ILE 57 2HG1 ILE 57 -6.707 3.656 2.966 380 HG13 ILE 57 1HG1 ILE 57 -7.212 2.358 4.043 381 HG21 ILE 57 1HG2 ILE 57 -9.663 3.016 5.514 382 HG22 ILE 57 2HG2 ILE 57 -9.868 2.294 3.919 383 HG23 ILE 57 3HG2 ILE 57 -10.685 3.804 4.311 384 HD11 ILE 57 3HD1 ILE 57 -9.152 2.157 2.234 385 HD12 ILE 57 1HD1 ILE 57 -7.599 1.339 2.063 386 HD13 ILE 57 2HD1 ILE 57 -7.894 2.856 1.212 387 H GLY 58 H GLY 58 -10.543 6.789 1.828 388 HA2 GLY 58 2HA GLY 58 -11.831 7.603 4.333 389 HA3 GLY 58 1HA GLY 58 -11.026 8.839 3.382 390 H SER 59 H SER 59 -12.672 6.193 1.809 391 HA SER 59 HA SER 59 -14.946 7.955 1.189 392 HB2 SER 59 2HB SER 59 -13.107 6.519 -0.688 393 HB3 SER 59 1HB SER 59 -14.800 6.712 -1.139 394 HG SER 59 HG SER 59 -14.564 8.912 -1.065 395 H LEU 60 H LEU 60 -14.725 5.805 3.127 396 HA LEU 60 HA LEU 60 -16.907 4.123 2.148 397 HB2 LEU 60 2HB LEU 60 -15.735 2.168 3.373 398 HB3 LEU 60 1HB LEU 60 -15.229 2.583 1.748 399 HG LEU 60 HG LEU 60 -13.737 3.831 4.001 400 HD11 LEU 60 1HD1 LEU 60 -12.903 1.107 3.158 401 HD12 LEU 60 2HD1 LEU 60 -14.183 1.257 4.359 402 HD13 LEU 60 3HD1 LEU 60 -12.599 1.968 4.665 403 HD21 LEU 60 3HD2 LEU 60 -13.445 3.901 1.325 404 HD22 LEU 60 1HD2 LEU 60 -12.404 2.531 1.713 405 HD23 LEU 60 2HD2 LEU 60 -12.110 4.101 2.458 406 HA PRO 61 HA PRO 61 -18.502 5.388 6.112 407 HB2 PRO 61 2HB PRO 61 -20.428 3.188 5.669 408 HB3 PRO 61 1HB PRO 61 -20.732 4.910 5.919 409 HG2 PRO 61 2HG PRO 61 -21.052 3.786 3.521 410 HG3 PRO 61 1HG PRO 61 -20.395 5.425 3.684 411 HD2 PRO 61 2HD PRO 61 -18.960 2.847 3.161 412 HD3 PRO 61 1HD PRO 61 -18.699 4.449 2.436 413 H ARG 62 H ARG 62 -19.613 3.943 8.020 414 HA ARG 62 HA ARG 62 -17.442 2.349 9.020 415 HB2 ARG 62 2HB ARG 62 -19.138 3.954 10.278 416 HB3 ARG 62 1HB ARG 62 -20.055 2.463 10.446 417 HG2 ARG 62 2HG ARG 62 -17.955 1.433 11.415 418 HG3 ARG 62 1HG ARG 62 -17.298 3.070 11.480 419 HD2 ARG 62 2HD ARG 62 -18.321 3.374 13.430 420 HD3 ARG 62 1HD ARG 62 -19.876 3.182 12.622 421 HE ARG 62 HE ARG 62 -18.472 1.209 14.216 422 HH11 ARG 62 1HH1 ARG 62 -21.078 1.831 11.956 423 HH12 ARG 62 2HH1 ARG 62 -21.933 0.382 12.353 424 HH21 ARG 62 1HH2 ARG 62 -19.616 -0.699 14.736 425 HH22 ARG 62 2HH2 ARG 62 -21.107 -1.050 13.930 426 H ASN 63 H ASN 63 -19.545 1.449 6.792 427 HA ASN 63 HA ASN 63 -19.996 -1.227 7.935 428 HB2 ASN 63 2HB ASN 63 -21.807 0.530 6.647 429 HB3 ASN 63 1HB ASN 63 -21.521 -0.808 5.538 430 HD21 ASN 63 1HD2 ASN 63 -22.977 -2.352 5.744 431 HD22 ASN 63 2HD2 ASN 63 -23.716 -2.863 7.220 432 H GLU 64 H GLU 64 -18.990 0.543 5.023 433 HA GLU 64 HA GLU 64 -18.331 -1.764 3.504 434 HB2 GLU 64 2HB GLU 64 -18.773 0.439 2.496 435 HB3 GLU 64 1HB GLU 64 -17.313 1.074 3.243 436 HG2 GLU 64 2HG GLU 64 -16.942 0.588 0.906 437 HG3 GLU 64 1HG GLU 64 -15.963 -0.473 1.919 438 H GLN 65 H GLN 65 -16.492 0.310 5.700 439 HA GLN 65 HA GLN 65 -13.928 -0.733 5.147 440 HB2 GLN 65 2HB GLN 65 -14.435 1.386 6.409 441 HB3 GLN 65 1HB GLN 65 -14.872 0.390 7.789 442 HG2 GLN 65 2HG GLN 65 -12.709 -0.215 8.220 443 HG3 GLN 65 1HG GLN 65 -12.199 -0.003 6.546 444 HE21 GLN 65 1HE2 GLN 65 -11.753 1.178 9.510 445 HE22 GLN 65 2HE2 GLN 65 -11.396 2.828 9.150 446 H GLU 66 H GLU 66 -16.493 -1.803 7.318 447 HA GLU 66 HA GLU 66 -15.022 -3.633 8.852 448 HB2 GLU 66 2HB GLU 66 -17.651 -2.800 8.775 449 HB3 GLU 66 1HB GLU 66 -17.765 -4.482 8.272 450 HG2 GLU 66 2HG GLU 66 -16.181 -3.757 10.697 451 HG3 GLU 66 1HG GLU 66 -17.940 -3.862 10.783 452 H LYS 67 H LYS 67 -17.096 -4.297 6.012 453 HA LYS 67 HA LYS 67 -16.436 -7.000 5.763 454 HB2 LYS 67 2HB LYS 67 -18.109 -5.268 4.435 455 HB3 LYS 67 1HB LYS 67 -16.906 -5.639 3.207 456 HG2 LYS 67 2HG LYS 67 -17.363 -8.112 3.958 457 HG3 LYS 67 1HG LYS 67 -18.884 -7.425 4.533 458 HD2 LYS 67 2HD LYS 67 -19.547 -6.790 2.388 459 HD3 LYS 67 1HD LYS 67 -17.906 -6.893 1.747 460 HE2 LYS 67 2HE LYS 67 -18.989 -9.403 2.838 461 HE3 LYS 67 1HE LYS 67 -19.814 -8.794 1.405 462 HZ1 LYS 67 3HZ LYS 67 -18.130 -10.119 0.559 463 HZ2 LYS 67 1HZ LYS 67 -16.992 -9.605 1.700 464 HZ3 LYS 67 2HZ LYS 67 -17.465 -8.569 0.451 465 H TRP 68 H TRP 68 -14.932 -4.136 4.291 466 HA TRP 68 HA TRP 68 -13.098 -5.468 2.652 467 HB2 TRP 68 2HB TRP 68 -13.461 -2.745 3.654 468 HB3 TRP 68 1HB TRP 68 -11.768 -3.168 3.437 469 HD1 TRP 68 HD TRP 68 -14.020 -1.298 1.613 470 HE1 TRP 68 1HE TRP 68 -13.810 -1.567 -0.937 471 HE3 TRP 68 3HE TRP 68 -11.387 -5.681 1.468 472 HZ2 TRP 68 2HZ TRP 68 -12.679 -3.391 -2.768 473 HZ3 TRP 68 3HZ TRP 68 -10.783 -6.619 -0.725 474 HH2 TRP 68 HH TRP 68 -11.416 -5.495 -2.798 475 H ARG 69 H ARG 69 -12.768 -4.338 6.012 476 HA ARG 69 HA ARG 69 -10.113 -4.961 6.464 477 HB2 ARG 69 2HB ARG 69 -12.502 -4.591 8.128 478 HB3 ARG 69 1HB ARG 69 -11.297 -5.644 8.855 479 HG2 ARG 69 2HG ARG 69 -10.372 -3.070 7.704 480 HG3 ARG 69 1HG ARG 69 -11.280 -3.029 9.215 481 HD2 ARG 69 2HD ARG 69 -8.803 -4.680 8.714 482 HD3 ARG 69 1HD ARG 69 -8.840 -3.137 9.565 483 HE ARG 69 HE ARG 69 -10.615 -5.069 10.712 484 HH11 ARG 69 1HH1 ARG 69 -7.282 -3.994 10.628 485 HH12 ARG 69 2HH1 ARG 69 -6.904 -4.648 12.185 486 HH21 ARG 69 1HH2 ARG 69 -10.102 -5.938 12.763 487 HH22 ARG 69 2HH2 ARG 69 -8.500 -5.751 13.392 488 H ILE 70 H ILE 70 -12.937 -7.105 6.734 489 HA ILE 70 HA ILE 70 -11.502 -9.367 7.647 490 HB ILE 70 HB ILE 70 -14.107 -9.404 6.117 491 HG12 ILE 70 2HG1 ILE 70 -13.659 -9.135 9.102 492 HG13 ILE 70 1HG1 ILE 70 -14.221 -7.850 8.040 493 HG21 ILE 70 1HG2 ILE 70 -12.581 -11.512 6.812 494 HG22 ILE 70 2HG2 ILE 70 -14.341 -11.568 6.712 495 HG23 ILE 70 3HG2 ILE 70 -13.553 -11.336 8.273 496 HD11 ILE 70 3HD1 ILE 70 -15.812 -9.520 9.485 497 HD12 ILE 70 1HD1 ILE 70 -15.833 -10.277 7.893 498 HD13 ILE 70 2HD1 ILE 70 -16.322 -8.593 8.075 499 H ALA 71 H ALA 71 -12.612 -8.418 4.393 500 HA ALA 71 HA ALA 71 -11.662 -10.683 3.029 501 HB1 ALA 71 1HB ALA 71 -12.944 -9.615 1.542 502 HB2 ALA 71 2HB ALA 71 -11.496 -8.686 1.159 503 HB3 ALA 71 3HB ALA 71 -12.676 -8.045 2.302 504 H PHE 72 H PHE 72 -10.087 -7.624 3.839 505 HA PHE 72 HA PHE 72 -7.778 -7.904 2.301 506 HB2 PHE 72 2HB PHE 72 -8.333 -6.471 4.892 507 HB3 PHE 72 1HB PHE 72 -6.758 -6.418 4.122 508 HD1 PHE 72 2HD PHE 72 -7.769 -6.334 1.234 509 HD2 PHE 72 1HD PHE 72 -8.890 -4.183 4.736 510 HE1 PHE 72 2HE PHE 72 -8.533 -4.459 -0.162 511 HE2 PHE 72 1HE PHE 72 -9.653 -2.308 3.342 512 HZ PHE 72 HZ PHE 72 -9.476 -2.444 0.889 513 H GLN 73 H GLN 73 -8.281 -8.767 5.737 514 HA GLN 73 HA GLN 73 -5.763 -9.895 6.180 515 HB2 GLN 73 2HB GLN 73 -8.261 -9.713 7.588 516 HB3 GLN 73 1HB GLN 73 -7.618 -11.342 7.745 517 HG2 GLN 73 2HG GLN 73 -5.404 -9.834 8.222 518 HG3 GLN 73 1HG GLN 73 -6.679 -8.822 8.896 519 HE21 GLN 73 1HE2 GLN 73 -4.467 -10.518 10.077 520 HE22 GLN 73 2HE2 GLN 73 -5.266 -11.481 11.267 521 H LYS 74 H LYS 74 -8.542 -11.178 4.524 522 HA LYS 74 HA LYS 74 -7.725 -13.924 4.660 523 HB2 LYS 74 2HB LYS 74 -10.058 -12.606 4.008 524 HB3 LYS 74 1HB LYS 74 -9.494 -13.185 2.450 525 HG2 LYS 74 2HG LYS 74 -9.212 -15.453 3.724 526 HG3 LYS 74 1HG LYS 74 -10.366 -14.728 4.846 527 HD2 LYS 74 2HD LYS 74 -11.563 -14.187 2.478 528 HD3 LYS 74 1HD LYS 74 -10.751 -15.705 2.089 529 HE2 LYS 74 2HE LYS 74 -11.837 -16.258 4.533 530 HE3 LYS 74 1HE LYS 74 -13.049 -15.184 3.837 531 HZ1 LYS 74 3HZ LYS 74 -12.919 -16.681 1.810 532 HZ2 LYS 74 1HZ LYS 74 -13.668 -17.326 3.183 533 HZ3 LYS 74 2HZ LYS 74 -12.087 -17.780 2.790 534 H VAL 75 H VAL 75 -7.193 -11.228 2.485 535 HA VAL 75 HA VAL 75 -6.059 -12.887 0.403 536 HB VAL 75 HB VAL 75 -6.018 -9.872 0.614 537 HG11 VAL 75 1HG1 VAL 75 -5.647 -9.932 -1.796 538 HG12 VAL 75 2HG1 VAL 75 -5.654 -11.696 -1.763 539 HG13 VAL 75 3HG1 VAL 75 -4.373 -10.803 -0.944 540 HG21 VAL 75 3HG2 VAL 75 -8.091 -9.734 -0.292 541 HG22 VAL 75 1HG2 VAL 75 -8.292 -11.297 0.497 542 HG23 VAL 75 2HG2 VAL 75 -7.904 -11.220 -1.220 543 H VAL 76 H VAL 76 -4.867 -10.544 2.811 544 HA VAL 76 HA VAL 76 -2.159 -11.579 2.297 545 HB VAL 76 HB VAL 76 -1.407 -9.313 3.302 546 HG11 VAL 76 1HG1 VAL 76 -1.501 -8.269 1.036 547 HG12 VAL 76 2HG1 VAL 76 -2.535 -9.602 0.525 548 HG13 VAL 76 3HG1 VAL 76 -0.884 -9.920 1.056 549 HG21 VAL 76 3HG2 VAL 76 -3.612 -8.541 4.002 550 HG22 VAL 76 1HG2 VAL 76 -4.166 -8.576 2.328 551 HG23 VAL 76 2HG2 VAL 76 -2.908 -7.445 2.819 552 H GLY 77 H GLY 77 -4.316 -10.258 4.798 553 HA2 GLY 77 2HA GLY 77 -4.550 -11.201 6.954 554 HA3 GLY 77 1HA GLY 77 -2.999 -11.995 6.751 555 H SER 78 H SER 78 -3.264 -8.618 5.958 556 HA SER 78 HA SER 78 -2.747 -7.467 8.453 557 HB2 SER 78 2HB SER 78 -0.418 -8.696 7.164 558 HB3 SER 78 1HB SER 78 -0.178 -6.994 7.553 559 HG SER 78 HG SER 78 0.394 -8.132 9.352 560 H ARG 79 H ARG 79 -4.318 -6.186 7.201 561 HA ARG 79 HA ARG 79 -2.966 -4.257 5.433 562 HB2 ARG 79 2HB ARG 79 -5.739 -5.416 5.297 563 HB3 ARG 79 1HB ARG 79 -5.353 -3.886 4.520 564 HG2 ARG 79 2HG ARG 79 -3.341 -5.665 3.731 565 HG3 ARG 79 1HG ARG 79 -4.855 -6.565 3.624 566 HD2 ARG 79 2HD ARG 79 -5.820 -4.766 2.264 567 HD3 ARG 79 1HD ARG 79 -4.303 -3.876 2.369 568 HE ARG 79 HE ARG 79 -3.523 -6.229 1.321 569 HH11 ARG 79 1HH1 ARG 79 -6.055 -3.979 0.411 570 HH12 ARG 79 2HH1 ARG 79 -6.009 -4.420 -1.261 571 HH21 ARG 79 1HH2 ARG 79 -3.467 -6.793 -0.882 572 HH22 ARG 79 2HH2 ARG 79 -4.542 -6.014 -1.995 573 H ASN 80 H ASN 80 -3.226 -4.186 8.353 574 HA ASN 80 HA ASN 80 -5.243 -2.272 9.030 575 HB2 ASN 80 2HB ASN 80 -4.155 -3.918 10.631 576 HB3 ASN 80 1HB ASN 80 -2.737 -2.875 10.610 577 HD21 ASN 80 1HD2 ASN 80 -2.889 -0.789 11.517 578 HD22 ASN 80 2HD2 ASN 80 -4.134 -0.393 12.646 579 H LEU 81 H LEU 81 -5.208 -0.266 8.284 580 HA LEU 81 HA LEU 81 -3.209 1.095 7.031 581 HB2 LEU 81 2HB LEU 81 -5.518 2.054 8.685 582 HB3 LEU 81 1HB LEU 81 -4.409 3.203 7.964 583 HG LEU 81 HG LEU 81 -5.654 1.140 6.202 584 HD11 LEU 81 1HD1 LEU 81 -7.416 2.229 7.732 585 HD12 LEU 81 2HD1 LEU 81 -7.687 2.241 5.990 586 HD13 LEU 81 3HD1 LEU 81 -7.102 3.693 6.800 587 HD21 LEU 81 3HD2 LEU 81 -5.201 4.055 5.660 588 HD22 LEU 81 1HD2 LEU 81 -5.312 2.718 4.517 589 HD23 LEU 81 2HD2 LEU 81 -3.888 2.884 5.542 590 HA PRO 82 HA PRO 82 -1.948 2.621 6.556 591 HB2 PRO 82 2HB PRO 82 0.925 2.744 6.770 592 HB3 PRO 82 1HB PRO 82 -0.212 4.062 6.481 593 HG2 PRO 82 2HG PRO 82 1.263 3.785 8.774 594 HG3 PRO 82 1HG PRO 82 -0.281 4.649 8.685 595 HD2 PRO 82 2HD PRO 82 0.286 1.875 9.658 596 HD3 PRO 82 1HD PRO 82 -0.814 3.102 10.323 597 H THR 83 H THR 83 -1.350 1.397 4.748 598 HA THR 83 HA THR 83 0.255 -1.018 5.166 599 HB THR 83 HB THR 83 -2.492 -1.096 3.899 600 HG1 THR 83 1HG THR 83 -3.076 -1.113 5.923 601 HG21 THR 83 3HG2 THR 83 -0.685 -2.806 3.217 602 HG22 THR 83 1HG2 THR 83 -2.290 -3.376 3.666 603 HG23 THR 83 2HG2 THR 83 -0.962 -3.483 4.822 604 H ILE 84 H ILE 84 1.626 -1.370 3.510 605 HA ILE 84 HA ILE 84 1.101 0.028 0.968 606 HB ILE 84 HB ILE 84 3.805 -0.876 1.960 607 HG12 ILE 84 2HG1 ILE 84 2.915 0.834 3.482 608 HG13 ILE 84 1HG1 ILE 84 4.245 1.475 2.525 609 HG21 ILE 84 1HG2 ILE 84 3.083 -0.312 -0.563 610 HG22 ILE 84 2HG2 ILE 84 4.693 0.007 0.082 611 HG23 ILE 84 3HG2 ILE 84 3.506 1.308 -0.004 612 HD11 ILE 84 3HD1 ILE 84 2.435 2.398 0.973 613 HD12 ILE 84 1HD1 ILE 84 2.662 3.177 2.538 614 HD13 ILE 84 2HD1 ILE 84 1.320 2.061 2.295 615 H VAL 85 H VAL 85 0.392 -1.317 -0.560 616 HA VAL 85 HA VAL 85 1.264 -4.123 -0.540 617 HB VAL 85 HB VAL 85 -0.936 -2.897 -2.209 618 HG11 VAL 85 1HG1 VAL 85 -0.034 -5.699 -1.663 619 HG12 VAL 85 2HG1 VAL 85 -0.369 -4.914 -3.206 620 HG13 VAL 85 3HG1 VAL 85 -1.699 -5.359 -2.137 621 HG21 VAL 85 3HG2 VAL 85 -1.221 -4.369 0.410 622 HG22 VAL 85 1HG2 VAL 85 -2.524 -3.715 -0.582 623 HG23 VAL 85 2HG2 VAL 85 -1.384 -2.624 0.207 624 H VAL 86 H VAL 86 2.916 -4.638 -1.821 625 HA VAL 86 HA VAL 86 3.178 -3.264 -4.418 626 HB VAL 86 HB VAL 86 5.511 -4.219 -2.753 627 HG11 VAL 86 1HG1 VAL 86 6.370 -4.144 -4.862 628 HG12 VAL 86 2HG1 VAL 86 6.573 -2.447 -4.429 629 HG13 VAL 86 3HG1 VAL 86 5.202 -2.945 -5.418 630 HG21 VAL 86 3HG2 VAL 86 4.040 -1.651 -2.743 631 HG22 VAL 86 1HG2 VAL 86 5.800 -1.553 -2.735 632 HG23 VAL 86 2HG2 VAL 86 4.961 -2.437 -1.461 633 H ASN 87 H ASN 87 3.277 -4.558 -6.146 634 HA ASN 87 HA ASN 87 3.385 -6.415 -7.451 635 HB2 ASN 87 2HB ASN 87 5.640 -6.538 -5.926 636 HB3 ASN 87 1HB ASN 87 4.879 -8.069 -5.512 637 HD21 ASN 87 1HD2 ASN 87 7.196 -6.967 -7.325 638 HD22 ASN 87 2HD2 ASN 87 7.036 -7.941 -8.742 639 H GLY 88 H GLY 88 1.210 -6.076 -5.593 640 HA2 GLY 88 2HA GLY 88 -0.652 -7.225 -4.902 641 HA3 GLY 88 1HA GLY 88 -0.056 -8.576 -5.849 642 H LYS 89 H LYS 89 1.300 -6.967 -2.991 643 HA LYS 89 HA LYS 89 0.592 -8.929 -1.128 644 HB2 LYS 89 2HB LYS 89 2.949 -9.880 -0.814 645 HB3 LYS 89 1HB LYS 89 2.008 -10.496 -2.165 646 HG2 LYS 89 2HG LYS 89 3.232 -9.115 -3.710 647 HG3 LYS 89 1HG LYS 89 4.100 -8.340 -2.386 648 HD2 LYS 89 2HD LYS 89 5.645 -9.898 -3.071 649 HD3 LYS 89 1HD LYS 89 4.802 -10.799 -1.811 650 HE2 LYS 89 2HE LYS 89 4.996 -12.274 -3.644 651 HE3 LYS 89 1HE LYS 89 3.322 -11.722 -3.641 652 HZ1 LYS 89 3HZ LYS 89 5.511 -10.936 -5.469 653 HZ2 LYS 89 1HZ LYS 89 4.118 -9.987 -5.306 654 HZ3 LYS 89 2HZ LYS 89 3.996 -11.582 -5.855 655 H PHE 90 H PHE 90 1.005 -8.233 0.890 656 HA PHE 90 HA PHE 90 1.831 -5.584 1.339 657 HB2 PHE 90 2HB PHE 90 0.298 -6.754 2.849 658 HB3 PHE 90 1HB PHE 90 1.576 -7.870 3.311 659 HD1 PHE 90 2HD PHE 90 0.594 -4.294 3.407 660 HD2 PHE 90 1HD PHE 90 3.016 -7.369 5.078 661 HE1 PHE 90 2HE PHE 90 1.239 -2.788 5.243 662 HE2 PHE 90 1HE PHE 90 3.663 -5.868 6.916 663 HZ PHE 90 HZ PHE 90 2.773 -3.574 6.998 664 H TRP 91 H TRP 91 3.841 -4.989 0.812 665 HA TRP 91 HA TRP 91 6.076 -6.534 1.947 666 HB2 TRP 91 2HB TRP 91 5.672 -6.082 -0.686 667 HB3 TRP 91 1HB TRP 91 6.633 -4.664 -0.277 668 HD1 TRP 91 HD TRP 91 9.191 -5.014 0.193 669 HE1 TRP 91 1HE TRP 91 10.779 -7.022 -0.058 670 HE3 TRP 91 3HE TRP 91 5.724 -8.724 -0.439 671 HZ2 TRP 91 2HZ TRP 91 10.590 -9.807 -0.470 672 HZ3 TRP 91 3HZ TRP 91 6.514 -11.034 -0.754 673 HH2 TRP 91 HH TRP 91 8.899 -11.561 -0.770 674 H GLY 92 H GLY 92 4.581 -3.381 1.701 675 HA2 GLY 92 2HA GLY 92 6.869 -2.204 3.143 676 HA3 GLY 92 1HA GLY 92 5.679 -1.290 2.237 677 H THR 93 H THR 93 6.684 -1.335 5.116 678 HA THR 93 HA THR 93 4.024 -1.373 6.387 679 HB THR 93 HB THR 93 6.371 -1.702 8.151 680 HG1 THR 93 1HG THR 93 5.574 -3.793 6.407 681 HG21 THR 93 3HG2 THR 93 4.768 -2.361 9.506 682 HG22 THR 93 1HG2 THR 93 4.530 -3.781 8.490 683 HG23 THR 93 2HG2 THR 93 3.589 -2.318 8.194 684 H GLU 94 H GLU 94 4.493 -0.135 8.732 685 HA GLU 94 HA GLU 94 4.853 2.598 7.956 686 HB2 GLU 94 2HB GLU 94 4.579 1.475 10.748 687 HB3 GLU 94 1HB GLU 94 4.316 3.142 10.255 688 HG2 GLU 94 2HG GLU 94 2.168 2.593 10.137 689 HG3 GLU 94 1HG GLU 94 2.587 1.772 8.634 690 H SER 95 H SER 95 6.761 0.237 9.768 691 HA SER 95 HA SER 95 8.850 2.223 10.238 692 HB2 SER 95 2HB SER 95 8.176 -0.427 11.403 693 HB3 SER 95 1HB SER 95 9.882 0.016 11.361 694 HG SER 95 HG SER 95 7.791 1.574 12.490 695 H GLN 96 H GLN 96 8.179 -0.550 8.223 696 HA GLN 96 HA GLN 96 10.735 -1.326 7.480 697 HB2 GLN 96 2HB GLN 96 8.291 -2.144 6.771 698 HB3 GLN 96 1HB GLN 96 8.669 -1.187 5.346 699 HG2 GLN 96 2HG GLN 96 9.479 -3.183 4.657 700 HG3 GLN 96 1HG GLN 96 10.922 -2.572 5.466 701 HE21 GLN 96 1HE2 GLN 96 8.314 -4.855 5.582 702 HE22 GLN 96 2HE2 GLN 96 8.930 -5.804 6.886 703 H LEU 97 H LEU 97 8.782 1.368 6.302 704 HA LEU 97 HA LEU 97 10.503 2.120 4.179 705 HB2 LEU 97 2HB LEU 97 8.688 3.980 5.702 706 HB3 LEU 97 1HB LEU 97 9.236 4.135 4.045 707 HG LEU 97 HG LEU 97 7.426 1.915 4.987 708 HD11 LEU 97 1HD1 LEU 97 5.786 3.418 3.539 709 HD12 LEU 97 2HD1 LEU 97 6.833 4.696 4.151 710 HD13 LEU 97 3HD1 LEU 97 5.979 3.641 5.277 711 HD21 LEU 97 3HD2 LEU 97 8.833 1.646 2.888 712 HD22 LEU 97 1HD2 LEU 97 7.851 2.935 2.192 713 HD23 LEU 97 2HD2 LEU 97 7.092 1.430 2.709 714 H HIS 98 H HIS 98 10.189 3.293 7.529 715 HA HIS 98 HA HIS 98 12.187 5.265 7.371 716 HB2 HIS 98 2HB HIS 98 10.829 3.802 9.590 717 HB3 HIS 98 1HB HIS 98 12.300 4.694 9.964 718 HD1 HIS 98 1HD HIS 98 8.768 5.133 9.860 719 HD2 HIS 98 2HD HIS 98 12.039 7.529 8.940 720 HE1 HIS 98 1HE HIS 98 7.904 7.495 9.897 721 HE2 HIS 98 2HE HIS 98 9.909 8.930 9.376 722 H ARG 99 H ARG 99 12.344 1.815 8.155 723 HA ARG 99 HA ARG 99 15.084 1.853 8.928 724 HB2 ARG 99 2HB ARG 99 13.064 -0.260 8.366 725 HB3 ARG 99 1HB ARG 99 14.758 -0.720 8.310 726 HG2 ARG 99 2HG ARG 99 13.485 0.657 10.660 727 HG3 ARG 99 1HG ARG 99 13.637 -1.094 10.504 728 HD2 ARG 99 2HD ARG 99 15.860 -1.074 10.923 729 HD3 ARG 99 1HD ARG 99 16.110 0.451 10.075 730 HE ARG 99 HE ARG 99 14.702 0.716 12.573 731 HH11 ARG 99 1HH1 ARG 99 17.864 0.605 11.064 732 HH12 ARG 99 2HH1 ARG 99 18.640 1.470 12.346 733 HH21 ARG 99 1HH2 ARG 99 15.736 1.855 14.257 734 HH22 ARG 99 2HH2 ARG 99 17.435 2.178 14.156 735 H PHE 100 H PHE 100 13.406 1.205 5.885 736 HA PHE 100 HA PHE 100 15.777 0.400 4.493 737 HB2 PHE 100 2HB PHE 100 12.955 0.986 3.706 738 HB3 PHE 100 1HB PHE 100 14.187 0.979 2.452 739 HD1 PHE 100 2HD PHE 100 15.944 -1.193 3.218 740 HD2 PHE 100 1HD PHE 100 11.702 -0.933 3.459 741 HE1 PHE 100 2HE PHE 100 15.791 -3.641 3.076 742 HE2 PHE 100 1HE PHE 100 11.544 -3.384 3.318 743 HZ PHE 100 HZ PHE 100 13.589 -4.741 3.125 744 H GLU 101 H GLU 101 14.049 3.442 4.932 745 HA GLU 101 HA GLU 101 15.559 4.885 2.980 746 HB2 GLU 101 2HB GLU 101 13.219 5.417 4.092 747 HB3 GLU 101 1HB GLU 101 14.220 6.279 5.253 748 HG2 GLU 101 2HG GLU 101 14.831 6.837 2.437 749 HG3 GLU 101 1HG GLU 101 13.233 7.349 2.976 750 H ALA 102 H ALA 102 15.615 4.777 6.527 751 HA ALA 102 HA ALA 102 17.720 6.558 6.951 752 HB1 ALA 102 1HB ALA 102 16.689 4.242 8.560 753 HB2 ALA 102 2HB ALA 102 16.469 5.969 8.839 754 HB3 ALA 102 3HB ALA 102 18.045 5.227 9.111 755 H LYS 103 H LYS 103 17.783 3.107 6.193 756 HA LYS 103 HA LYS 103 20.582 2.783 6.631 757 HB2 LYS 103 2HB LYS 103 18.428 1.143 5.358 758 HB3 LYS 103 1HB LYS 103 20.109 0.701 5.103 759 HG2 LYS 103 2HG LYS 103 20.096 1.005 7.781 760 HG3 LYS 103 1HG LYS 103 18.436 0.472 7.507 761 HD2 LYS 103 2HD LYS 103 20.741 -0.978 6.253 762 HD3 LYS 103 1HD LYS 103 20.266 -1.306 7.921 763 HE2 LYS 103 2HE LYS 103 17.905 -1.631 6.990 764 HE3 LYS 103 1HE LYS 103 18.674 -1.703 5.405 765 HZ1 LYS 103 3HZ LYS 103 18.737 -3.888 5.921 766 HZ2 LYS 103 1HZ LYS 103 18.742 -3.628 7.593 767 HZ3 LYS 103 2HZ LYS 103 20.170 -3.448 6.705 768 H GLY 104 H GLY 104 18.639 3.855 3.939 769 HA2 GLY 104 2HA GLY 104 19.473 5.093 2.119 770 HA3 GLY 104 1HA GLY 104 21.077 4.459 2.450 771 H THR 105 H THR 105 18.345 2.305 2.305 772 HA THR 105 HA THR 105 19.399 1.212 -0.217 773 HB THR 105 HB THR 105 18.204 -0.901 0.526 774 HG1 THR 105 1HG THR 105 16.868 0.148 2.102 775 HG21 THR 105 3HG2 THR 105 19.997 -0.646 2.738 776 HG22 THR 105 1HG2 THR 105 20.707 0.083 1.300 777 HG23 THR 105 2HG2 THR 105 20.167 -1.595 1.262 778 H LEU 106 H LEU 106 16.838 3.023 0.925 779 HA LEU 106 HA LEU 106 14.573 1.943 -0.258 780 HB2 LEU 106 2HB LEU 106 15.089 4.178 1.161 781 HB3 LEU 106 1HB LEU 106 14.891 4.878 -0.433 782 HG LEU 106 HG LEU 106 12.678 3.359 -0.370 783 HD11 LEU 106 1HD1 LEU 106 11.859 2.861 1.665 784 HD12 LEU 106 2HD1 LEU 106 12.536 4.310 2.411 785 HD13 LEU 106 3HD1 LEU 106 13.556 2.898 2.140 786 HD21 LEU 106 3HD2 LEU 106 11.631 5.516 0.743 787 HD22 LEU 106 1HD2 LEU 106 12.302 5.548 -0.887 788 HD23 LEU 106 2HD2 LEU 106 13.254 6.152 0.470 789 H GLU 107 H GLU 107 17.079 4.013 -1.701 790 HA GLU 107 HA GLU 107 15.843 4.414 -4.192 791 HB2 GLU 107 2HB GLU 107 18.638 4.596 -3.165 792 HB3 GLU 107 1HB GLU 107 18.400 4.580 -4.906 793 HG2 GLU 107 2HG GLU 107 16.950 6.520 -4.751 794 HG3 GLU 107 1HG GLU 107 17.116 6.519 -2.998 795 H GLU 108 H GLU 108 18.269 1.993 -3.208 796 HA GLU 108 HA GLU 108 18.403 0.654 -5.674 797 HB2 GLU 108 2HB GLU 108 20.032 0.421 -3.791 798 HB3 GLU 108 1HB GLU 108 18.840 -0.547 -2.937 799 HG2 GLU 108 2HG GLU 108 19.098 -2.345 -4.324 800 HG3 GLU 108 1HG GLU 108 19.622 -1.361 -5.687 801 H GLU 109 H GLU 109 16.380 0.077 -2.811 802 HA GLU 109 HA GLU 109 15.128 -2.269 -3.694 803 HB2 GLU 109 2HB GLU 109 14.511 -0.166 -1.684 804 HB3 GLU 109 1HB GLU 109 13.192 -1.223 -2.171 805 HG2 GLU 109 2HG GLU 109 15.734 -2.548 -1.482 806 HG3 GLU 109 1HG GLU 109 14.877 -1.765 -0.157 807 H LEU 110 H LEU 110 14.421 1.125 -4.336 808 HA LEU 110 HA LEU 110 11.888 0.815 -5.509 809 HB2 LEU 110 2HB LEU 110 13.685 2.917 -5.055 810 HB3 LEU 110 1HB LEU 110 13.446 2.889 -6.792 811 HG LEU 110 HG LEU 110 10.974 2.998 -6.389 812 HD11 LEU 110 1HD1 LEU 110 10.520 4.027 -4.009 813 HD12 LEU 110 2HD1 LEU 110 11.929 3.060 -3.571 814 HD13 LEU 110 3HD1 LEU 110 10.508 2.284 -4.269 815 HD21 LEU 110 3HD2 LEU 110 11.212 5.437 -5.356 816 HD22 LEU 110 1HD2 LEU 110 11.718 5.057 -7.003 817 HD23 LEU 110 2HD2 LEU 110 12.914 5.136 -5.709 818 H THR 111 H THR 111 15.147 0.610 -6.884 819 HA THR 111 HA THR 111 14.240 0.260 -9.577 820 HB THR 111 HB THR 111 16.939 -0.370 -8.361 821 HG1 THR 111 1HG THR 111 17.502 1.689 -9.042 822 HG21 THR 111 3HG2 THR 111 16.426 0.353 -11.219 823 HG22 THR 111 1HG2 THR 111 16.421 -1.321 -10.669 824 HG23 THR 111 2HG2 THR 111 17.874 -0.340 -10.491 825 H LYS 112 H LYS 112 14.960 -1.872 -6.892 826 HA LYS 112 HA LYS 112 15.269 -4.292 -8.257 827 HB2 LYS 112 2HB LYS 112 15.537 -3.676 -5.724 828 HB3 LYS 112 1HB LYS 112 13.855 -4.175 -5.616 829 HG2 LYS 112 2HG LYS 112 14.358 -6.383 -6.225 830 HG3 LYS 112 1HG LYS 112 15.955 -5.940 -6.830 831 HD2 LYS 112 2HD LYS 112 15.324 -5.437 -3.962 832 HD3 LYS 112 1HD LYS 112 15.649 -7.093 -4.477 833 HE2 LYS 112 2HE LYS 112 17.796 -6.534 -4.095 834 HE3 LYS 112 1HE LYS 112 17.685 -5.785 -5.687 835 HZ1 LYS 112 3HZ LYS 112 17.179 -4.360 -3.128 836 HZ2 LYS 112 1HZ LYS 112 17.254 -3.673 -4.673 837 HZ3 LYS 112 2HZ LYS 112 18.646 -4.323 -3.968 838 H ILE 113 H ILE 113 12.314 -2.839 -6.882 839 HA ILE 113 HA ILE 113 10.568 -4.881 -7.790 840 HB ILE 113 HB ILE 113 8.737 -3.277 -7.336 841 HG12 ILE 113 2HG1 ILE 113 10.937 -1.359 -6.542 842 HG13 ILE 113 1HG1 ILE 113 10.014 -1.236 -8.036 843 HG21 ILE 113 1HG2 ILE 113 10.709 -3.201 -5.073 844 HG22 ILE 113 2HG2 ILE 113 9.909 -4.691 -5.575 845 HG23 ILE 113 3HG2 ILE 113 8.951 -3.326 -5.000 846 HD11 ILE 113 3HD1 ILE 113 9.410 -0.028 -5.655 847 HD12 ILE 113 1HD1 ILE 113 8.325 -1.418 -5.679 848 HD13 ILE 113 2HD1 ILE 113 8.305 -0.258 -7.008 849 H GLY 114 H GLY 114 11.931 -2.096 -9.353 850 HA2 GLY 114 2HA GLY 114 11.972 -2.016 -11.757 851 HA3 GLY 114 1HA GLY 114 10.380 -2.755 -11.770 852 H LEU 115 H LEU 115 11.046 -0.195 -9.511 853 HA LEU 115 HA LEU 115 9.069 1.476 -10.830 854 HB2 LEU 115 2HB LEU 115 9.269 0.999 -8.295 855 HB3 LEU 115 1HB LEU 115 10.557 2.185 -8.321 856 HG LEU 115 HG LEU 115 7.968 2.998 -9.524 857 HD11 LEU 115 1HD1 LEU 115 8.315 2.215 -6.693 858 HD12 LEU 115 2HD1 LEU 115 6.872 2.215 -7.704 859 HD13 LEU 115 3HD1 LEU 115 7.461 3.725 -7.010 860 HD21 LEU 115 3HD2 LEU 115 10.299 4.227 -8.171 861 HD22 LEU 115 1HD2 LEU 115 8.739 5.021 -7.969 862 HD23 LEU 115 2HD2 LEU 115 9.395 4.764 -9.585 863 H LEU 116 H LEU 116 12.419 1.809 -9.672 864 HA LEU 116 HA LEU 116 12.741 4.257 -11.225 865 HB2 LEU 116 2HB LEU 116 13.713 3.475 -8.791 866 HB3 LEU 116 1HB LEU 116 15.087 3.168 -9.834 867 HG LEU 116 HG LEU 116 13.905 5.787 -10.317 868 HD11 LEU 116 1HD1 LEU 116 14.994 5.192 -7.570 869 HD12 LEU 116 2HD1 LEU 116 13.355 5.706 -7.966 870 HD13 LEU 116 3HD1 LEU 116 14.709 6.804 -8.226 871 HD21 LEU 116 3HD2 LEU 116 16.580 4.562 -9.906 872 HD22 LEU 116 1HD2 LEU 116 16.411 6.302 -9.670 873 HD23 LEU 116 2HD2 LEU 116 15.987 5.578 -11.222 874 HA PRO 117 HA PRO 117 14.446 1.609 -14.465 875 HB2 PRO 117 2HB PRO 117 14.379 3.446 -16.433 876 HB3 PRO 117 1HB PRO 117 12.922 2.614 -15.874 877 HG2 PRO 117 2HG PRO 117 13.928 5.349 -15.181 878 HG3 PRO 117 1HG PRO 117 12.278 4.833 -15.572 879 HD2 PRO 117 2HD PRO 117 13.162 5.223 -13.024 880 HD3 PRO 117 1HD PRO 117 11.886 4.063 -13.444 Start of MODEL 18 1 H MET 9 1HT MET 9 -17.466 -14.625 1.097 2 HA MET 9 HA MET 9 -18.797 -12.158 0.232 3 HB2 MET 9 2HB MET 9 -17.910 -12.055 2.615 4 HB3 MET 9 1HB MET 9 -16.310 -12.328 1.942 5 HG2 MET 9 2HG MET 9 -17.504 -10.195 0.506 6 HG3 MET 9 1HG MET 9 -17.731 -9.889 2.225 7 HE1 MET 9 2HE MET 9 -14.519 -8.644 3.449 8 HE2 MET 9 3HE MET 9 -15.338 -10.111 3.984 9 HE3 MET 9 1HE MET 9 -16.280 -8.698 3.512 10 H SER 10 H SER 10 -17.715 -14.498 -1.229 11 HA SER 10 HA SER 10 -15.117 -14.034 -2.169 12 HB2 SER 10 2HB SER 10 -16.159 -15.241 -4.302 13 HB3 SER 10 1HB SER 10 -15.836 -16.120 -2.809 14 HG SER 10 HG SER 10 -18.119 -15.939 -4.029 15 H ALA 11 H ALA 11 -18.149 -12.524 -2.977 16 HA ALA 11 HA ALA 11 -17.658 -11.478 -5.483 17 HB1 ALA 11 1HB ALA 11 -19.423 -10.043 -5.121 18 HB2 ALA 11 2HB ALA 11 -19.006 -9.782 -3.428 19 HB3 ALA 11 3HB ALA 11 -19.743 -11.303 -3.929 20 H PHE 12 H PHE 12 -16.390 -10.434 -2.382 21 HA PHE 12 HA PHE 12 -15.117 -8.110 -3.615 22 HB2 PHE 12 2HB PHE 12 -15.802 -8.908 -0.844 23 HB3 PHE 12 1HB PHE 12 -14.317 -7.985 -1.042 24 HD1 PHE 12 2HD PHE 12 -14.410 -5.735 -2.124 25 HD2 PHE 12 1HD PHE 12 -17.914 -7.870 -0.988 26 HE1 PHE 12 2HE PHE 12 -15.711 -3.650 -2.227 27 HE2 PHE 12 1HE PHE 12 -19.220 -5.786 -1.090 28 HZ PHE 12 HZ PHE 12 -18.118 -3.673 -1.709 29 H VAL 13 H VAL 13 -14.325 -11.210 -2.119 30 HA VAL 13 HA VAL 13 -11.565 -10.890 -1.835 31 HB VAL 13 HB VAL 13 -12.951 -13.469 -2.590 32 HG11 VAL 13 1HG1 VAL 13 -10.292 -13.012 -2.422 33 HG12 VAL 13 2HG1 VAL 13 -11.052 -14.562 -2.071 34 HG13 VAL 13 3HG1 VAL 13 -10.650 -13.460 -0.755 35 HG21 VAL 13 3HG2 VAL 13 -14.141 -12.945 -0.712 36 HG22 VAL 13 1HG2 VAL 13 -12.853 -11.954 -0.032 37 HG23 VAL 13 2HG2 VAL 13 -12.745 -13.713 0.035 38 H THR 14 H THR 14 -13.371 -12.268 -4.595 39 HA THR 14 HA THR 14 -11.150 -12.736 -6.241 40 HB THR 14 HB THR 14 -13.845 -11.966 -7.334 41 HG1 THR 14 1HG THR 14 -14.716 -13.593 -6.371 42 HG21 THR 14 3HG2 THR 14 -13.411 -13.674 -8.979 43 HG22 THR 14 1HG2 THR 14 -11.892 -14.090 -8.182 44 HG23 THR 14 2HG2 THR 14 -12.084 -12.513 -8.948 45 H LYS 15 H LYS 15 -13.118 -9.845 -5.766 46 HA LYS 15 HA LYS 15 -12.077 -8.354 -7.929 47 HB2 LYS 15 2HB LYS 15 -13.355 -7.488 -5.336 48 HB3 LYS 15 1HB LYS 15 -12.905 -6.365 -6.611 49 HG2 LYS 15 2HG LYS 15 -14.892 -8.614 -6.837 50 HG3 LYS 15 1HG LYS 15 -15.260 -6.893 -6.731 51 HD2 LYS 15 2HD LYS 15 -13.864 -6.626 -8.843 52 HD3 LYS 15 1HD LYS 15 -13.928 -8.385 -8.979 53 HE2 LYS 15 2HE LYS 15 -16.474 -8.097 -8.752 54 HE3 LYS 15 1HE LYS 15 -16.173 -6.400 -9.123 55 HZ1 LYS 15 3HZ LYS 15 -15.233 -8.617 -10.855 56 HZ2 LYS 15 1HZ LYS 15 -15.302 -6.967 -11.227 57 HZ3 LYS 15 2HZ LYS 15 -16.730 -7.858 -11.066 58 H ALA 16 H ALA 16 -10.961 -8.879 -4.640 59 HA ALA 16 HA ALA 16 -9.040 -6.804 -4.551 60 HB1 ALA 16 1HB ALA 16 -9.872 -8.015 -2.554 61 HB2 ALA 16 2HB ALA 16 -8.113 -7.950 -2.644 62 HB3 ALA 16 3HB ALA 16 -8.961 -9.436 -3.075 63 H GLU 17 H GLU 17 -8.715 -10.281 -5.275 64 HA GLU 17 HA GLU 17 -5.969 -10.197 -5.895 65 HB2 GLU 17 2HB GLU 17 -6.368 -12.373 -7.029 66 HB3 GLU 17 1HB GLU 17 -7.008 -12.305 -5.394 67 HG2 GLU 17 2HG GLU 17 -9.242 -12.041 -6.212 68 HG3 GLU 17 1HG GLU 17 -8.667 -11.877 -7.870 69 H GLU 18 H GLU 18 -8.844 -9.611 -7.833 70 HA GLU 18 HA GLU 18 -7.518 -9.617 -10.350 71 HB2 GLU 18 2HB GLU 18 -10.175 -8.588 -9.394 72 HB3 GLU 18 1HB GLU 18 -9.612 -8.240 -11.024 73 HG2 GLU 18 2HG GLU 18 -9.227 -10.861 -11.043 74 HG3 GLU 18 1HG GLU 18 -10.494 -10.800 -9.822 75 H MET 19 H MET 19 -8.113 -7.174 -7.891 76 HA MET 19 HA MET 19 -7.421 -4.919 -9.467 77 HB2 MET 19 2HB MET 19 -7.530 -5.398 -6.495 78 HB3 MET 19 1HB MET 19 -6.990 -3.863 -7.163 79 HG2 MET 19 2HG MET 19 -9.434 -4.568 -8.423 80 HG3 MET 19 1HG MET 19 -9.630 -4.759 -6.683 81 HE1 MET 19 3HE MET 19 -7.694 -2.612 -9.090 82 HE2 MET 19 1HE MET 19 -8.027 -0.943 -8.628 83 HE3 MET 19 2HE MET 19 -9.208 -1.847 -9.576 84 H ILE 20 H ILE 20 -5.542 -6.924 -7.196 85 HA ILE 20 HA ILE 20 -3.132 -5.458 -7.549 86 HB ILE 20 HB ILE 20 -2.067 -7.453 -6.465 87 HG12 ILE 20 2HG1 ILE 20 -4.860 -8.426 -5.931 88 HG13 ILE 20 1HG1 ILE 20 -3.945 -9.011 -7.316 89 HG21 ILE 20 1HG2 ILE 20 -2.444 -5.935 -4.854 90 HG22 ILE 20 2HG2 ILE 20 -3.659 -7.100 -4.328 91 HG23 ILE 20 3HG2 ILE 20 -4.134 -5.714 -5.311 92 HD11 ILE 20 3HD1 ILE 20 -2.364 -9.161 -4.922 93 HD12 ILE 20 1HD1 ILE 20 -2.828 -10.436 -6.047 94 HD13 ILE 20 2HD1 ILE 20 -3.902 -9.998 -4.717 95 H LYS 21 H LYS 21 -4.733 -7.777 -9.468 96 HA LYS 21 HA LYS 21 -2.583 -9.149 -10.617 97 HB2 LYS 21 2HB LYS 21 -5.317 -9.205 -10.878 98 HB3 LYS 21 1HB LYS 21 -4.809 -8.575 -12.439 99 HG2 LYS 21 2HG LYS 21 -4.982 -10.937 -12.629 100 HG3 LYS 21 1HG LYS 21 -3.265 -10.529 -12.638 101 HD2 LYS 21 2HD LYS 21 -3.125 -12.166 -11.093 102 HD3 LYS 21 1HD LYS 21 -3.671 -10.903 -9.989 103 HE2 LYS 21 2HE LYS 21 -5.102 -12.674 -9.521 104 HE3 LYS 21 1HE LYS 21 -6.045 -11.675 -10.623 105 HZ1 LYS 21 3HZ LYS 21 -5.857 -13.192 -12.306 106 HZ2 LYS 21 1HZ LYS 21 -5.861 -14.238 -10.975 107 HZ3 LYS 21 2HZ LYS 21 -4.403 -13.841 -11.736 108 H SER 22 H SER 22 -4.452 -6.492 -12.121 109 HA SER 22 HA SER 22 -2.250 -5.933 -13.925 110 HB2 SER 22 2HB SER 22 -4.955 -5.765 -14.242 111 HB3 SER 22 1HB SER 22 -4.548 -4.081 -13.912 112 HG SER 22 HG SER 22 -4.406 -5.121 -16.199 113 H HIS 23 H HIS 23 -3.546 -4.693 -10.959 114 HA HIS 23 HA HIS 23 -1.665 -2.432 -11.126 115 HB2 HIS 23 2HB HIS 23 -4.321 -2.570 -9.688 116 HB3 HIS 23 1HB HIS 23 -3.170 -1.253 -9.514 117 HD1 HIS 23 1HD HIS 23 -2.444 -1.013 -12.571 118 HD2 HIS 23 2HD HIS 23 -6.287 -1.163 -10.993 119 HE1 HIS 23 1HE HIS 23 -3.919 0.084 -14.287 120 HE2 HIS 23 2HE HIS 23 -6.251 -0.096 -13.349 121 HA PRO 24 HA PRO 24 -0.430 -5.289 -7.637 122 HB2 PRO 24 2HB PRO 24 2.174 -5.518 -8.340 123 HB3 PRO 24 1HB PRO 24 0.912 -6.566 -8.996 124 HG2 PRO 24 2HG PRO 24 2.190 -4.148 -10.215 125 HG3 PRO 24 1HG PRO 24 1.800 -5.707 -10.967 126 HD2 PRO 24 2HD PRO 24 0.242 -3.509 -11.267 127 HD3 PRO 24 1HD PRO 24 -0.416 -5.158 -11.257 128 H TYR 25 H TYR 25 0.717 -2.258 -8.912 129 HA TYR 25 HA TYR 25 2.268 -1.665 -6.517 130 HB2 TYR 25 2HB TYR 25 1.893 -0.323 -9.182 131 HB3 TYR 25 1HB TYR 25 2.579 0.559 -7.828 132 HD1 TYR 25 2HD TYR 25 4.574 -0.724 -6.602 133 HD2 TYR 25 1HD TYR 25 3.341 -1.402 -10.619 134 HE1 TYR 25 2HE TYR 25 6.791 -1.648 -7.123 135 HE2 TYR 25 1HE TYR 25 5.555 -2.328 -11.147 136 HH TYR 25 HH TYR 25 8.100 -1.873 -9.845 137 H PHE 26 H PHE 26 0.172 -1.863 -5.280 138 HA PHE 26 HA PHE 26 -1.363 0.645 -5.396 139 HB2 PHE 26 2HB PHE 26 -2.171 -2.115 -5.169 140 HB3 PHE 26 1HB PHE 26 -2.746 -1.199 -3.781 141 HD1 PHE 26 2HD PHE 26 -2.436 -0.576 -7.460 142 HD2 PHE 26 1HD PHE 26 -4.906 -0.486 -3.993 143 HE1 PHE 26 2HE PHE 26 -4.299 0.297 -8.811 144 HE2 PHE 26 1HE PHE 26 -6.771 0.384 -5.340 145 HZ PHE 26 HZ PHE 26 -6.468 0.778 -7.752 146 H GLN 27 H GLN 27 -1.485 1.940 -3.640 147 HA GLN 27 HA GLN 27 -0.300 0.980 -1.119 148 HB2 GLN 27 2HB GLN 27 0.377 3.387 -2.725 149 HB3 GLN 27 1HB GLN 27 0.315 3.591 -0.980 150 HG2 GLN 27 2HG GLN 27 2.564 3.102 -1.622 151 HG3 GLN 27 1HG GLN 27 1.914 1.719 -0.744 152 HE21 GLN 27 1HE2 GLN 27 1.804 2.845 -4.116 153 HE22 GLN 27 2HE2 GLN 27 2.327 1.349 -4.806 154 H LEU 28 H LEU 28 -1.975 0.827 0.230 155 HA LEU 28 HA LEU 28 -4.253 2.588 0.048 156 HB2 LEU 28 2HB LEU 28 -3.536 0.135 1.536 157 HB3 LEU 28 1HB LEU 28 -4.654 1.214 2.348 158 HG LEU 28 HG LEU 28 -5.849 -0.516 1.123 159 HD11 LEU 28 1HD1 LEU 28 -6.745 1.830 1.332 160 HD12 LEU 28 2HD1 LEU 28 -7.430 0.857 0.032 161 HD13 LEU 28 3HD1 LEU 28 -6.221 2.088 -0.331 162 HD21 LEU 28 3HD2 LEU 28 -4.255 0.513 -1.201 163 HD22 LEU 28 1HD2 LEU 28 -5.788 -0.327 -1.432 164 HD23 LEU 28 2HD2 LEU 28 -4.448 -1.146 -0.633 165 H SER 29 H SER 29 -4.487 4.469 1.079 166 HA SER 29 HA SER 29 -2.927 4.940 3.532 167 HB2 SER 29 2HB SER 29 -3.048 6.565 1.040 168 HB3 SER 29 1HB SER 29 -3.008 7.439 2.570 169 HG SER 29 HG SER 29 -1.067 6.475 3.057 170 H ALA 30 H ALA 30 -3.767 6.997 4.675 171 HA ALA 30 HA ALA 30 -6.694 6.793 4.843 172 HB1 ALA 30 1HB ALA 30 -6.559 7.169 7.085 173 HB2 ALA 30 2HB ALA 30 -5.134 8.198 6.939 174 HB3 ALA 30 3HB ALA 30 -4.970 6.446 6.832 175 H SER 31 H SER 31 -7.488 9.042 6.006 176 HA SER 31 HA SER 31 -7.022 11.046 3.943 177 HB2 SER 31 2HB SER 31 -9.246 10.305 5.644 178 HB3 SER 31 1HB SER 31 -8.926 12.036 5.749 179 HG SER 31 HG SER 31 -9.195 12.209 3.552 180 H TRP 32 H TRP 32 -5.143 12.098 4.376 181 HA TRP 32 HA TRP 32 -3.648 13.486 5.373 182 HB2 TRP 32 2HB TRP 32 -6.198 14.597 5.691 183 HB3 TRP 32 1HB TRP 32 -5.431 14.775 7.263 184 HD1 TRP 32 HD TRP 32 -2.622 15.698 6.776 185 HE1 TRP 32 1HE TRP 32 -2.039 17.844 5.482 186 HE3 TRP 32 3HE TRP 32 -6.954 16.249 4.112 187 HZ2 TRP 32 2HZ TRP 32 -3.250 19.546 3.587 188 HZ3 TRP 32 3HZ TRP 32 -7.158 18.163 2.579 189 HH2 TRP 32 HH TRP 32 -5.345 19.776 2.323 190 H CYS 33 H CYS 33 -3.616 10.969 6.500 191 HA CYS 33 HA CYS 33 -3.757 11.134 9.374 192 HB2 CYS 33 2HB CYS 33 -3.435 9.052 7.396 193 HB3 CYS 33 1HB CYS 33 -2.234 8.876 8.672 194 HG CYS 33 HG CYS 33 -4.310 7.574 9.434 195 HA PRO 34 HA PRO 34 0.337 12.490 10.313 196 HB2 PRO 34 2HB PRO 34 1.022 10.932 12.438 197 HB3 PRO 34 1HB PRO 34 -0.141 12.259 12.544 198 HG2 PRO 34 2HG PRO 34 -0.635 9.320 12.292 199 HG3 PRO 34 1HG PRO 34 -1.464 10.513 13.308 200 HD2 PRO 34 2HD PRO 34 -2.502 9.610 10.976 201 HD3 PRO 34 1HD PRO 34 -2.789 11.256 11.576 202 H ASP 35 H ASP 35 -0.021 8.959 10.107 203 HA ASP 35 HA ASP 35 2.804 8.663 9.445 204 HB2 ASP 35 2HB ASP 35 0.612 6.810 10.236 205 HB3 ASP 35 1HB ASP 35 1.902 6.158 9.230 206 H CYS 36 H CYS 36 -0.369 8.364 7.955 207 HA CYS 36 HA CYS 36 0.499 7.208 5.520 208 HB2 CYS 36 2HB CYS 36 -1.952 8.909 6.016 209 HB3 CYS 36 1HB CYS 36 -1.699 7.817 4.660 210 HG CYS 36 HG CYS 36 -2.134 6.841 7.583 211 H VAL 37 H VAL 37 0.235 10.538 6.641 212 HA VAL 37 HA VAL 37 0.474 11.847 4.179 213 HB VAL 37 HB VAL 37 -0.125 13.015 6.258 214 HG11 VAL 37 1HG1 VAL 37 2.676 13.315 7.131 215 HG12 VAL 37 2HG1 VAL 37 1.937 11.743 7.432 216 HG13 VAL 37 3HG1 VAL 37 1.194 13.205 8.077 217 HG21 VAL 37 3HG2 VAL 37 0.629 14.998 5.490 218 HG22 VAL 37 1HG2 VAL 37 1.223 14.013 4.152 219 HG23 VAL 37 2HG2 VAL 37 2.313 14.470 5.460 220 H TYR 38 H TYR 38 2.905 10.373 6.249 221 HA TYR 38 HA TYR 38 5.202 11.506 5.076 222 HB2 TYR 38 2HB TYR 38 5.186 10.278 7.238 223 HB3 TYR 38 1HB TYR 38 4.927 8.777 6.355 224 HD1 TYR 38 2HD TYR 38 7.337 11.530 6.923 225 HD2 TYR 38 1HD TYR 38 6.742 7.620 5.353 226 HE1 TYR 38 2HE TYR 38 9.769 11.260 6.687 227 HE2 TYR 38 1HE TYR 38 9.173 7.341 5.112 228 HH TYR 38 HH TYR 38 11.311 9.735 5.088 229 H ALA 39 H ALA 39 3.520 8.429 4.411 230 HA ALA 39 HA ALA 39 5.227 7.525 2.378 231 HB1 ALA 39 1HB ALA 39 2.286 6.943 2.373 232 HB2 ALA 39 2HB ALA 39 3.353 6.264 3.604 233 HB3 ALA 39 3HB ALA 39 3.626 5.899 1.900 234 H ASN 40 H ASN 40 2.462 9.716 2.275 235 HA ASN 40 HA ASN 40 2.358 9.836 -0.586 236 HB2 ASN 40 2HB ASN 40 0.991 11.228 1.666 237 HB3 ASN 40 1HB ASN 40 1.015 12.038 0.103 238 HD21 ASN 40 1HD2 ASN 40 -1.231 10.915 1.591 239 HD22 ASN 40 2HD2 ASN 40 -1.961 9.752 0.542 240 H SER 41 H SER 41 3.986 11.606 1.955 241 HA SER 41 HA SER 41 4.697 13.899 0.520 242 HB2 SER 41 2HB SER 41 5.643 12.548 2.983 243 HB3 SER 41 1HB SER 41 6.784 13.657 2.221 244 HG SER 41 HG SER 41 5.672 15.090 3.301 245 H ILE 42 H ILE 42 6.469 10.847 1.008 246 HA ILE 42 HA ILE 42 8.678 11.585 -0.621 247 HB ILE 42 HB ILE 42 7.787 8.776 0.023 248 HG12 ILE 42 2HG1 ILE 42 7.968 10.111 2.087 249 HG13 ILE 42 1HG1 ILE 42 9.243 8.906 1.991 250 HG21 ILE 42 1HG2 ILE 42 9.782 8.053 -0.746 251 HG22 ILE 42 2HG2 ILE 42 10.641 9.484 -0.183 252 HG23 ILE 42 3HG2 ILE 42 9.723 9.542 -1.685 253 HD11 ILE 42 3HD1 ILE 42 10.375 11.134 0.827 254 HD12 ILE 42 1HD1 ILE 42 10.643 10.558 2.472 255 HD13 ILE 42 2HD1 ILE 42 9.420 11.789 2.157 256 H TRP 43 H TRP 43 5.653 9.873 -1.240 257 HA TRP 43 HA TRP 43 6.250 8.925 -3.817 258 HB2 TRP 43 2HB TRP 43 3.796 9.364 -2.222 259 HB3 TRP 43 1HB TRP 43 3.575 9.308 -3.967 260 HD1 TRP 43 HD TRP 43 2.213 7.002 -3.669 261 HE1 TRP 43 1HE TRP 43 3.016 4.579 -3.368 262 HE3 TRP 43 3HE TRP 43 7.067 7.904 -2.307 263 HZ2 TRP 43 2HZ TRP 43 5.381 3.226 -2.651 264 HZ3 TRP 43 3HZ TRP 43 8.527 5.986 -1.831 265 HH2 TRP 43 HH TRP 43 7.701 3.695 -1.999 266 H ASN 44 H ASN 44 5.119 12.056 -2.684 267 HA ASN 44 HA ASN 44 4.518 13.065 -5.304 268 HB2 ASN 44 2HB ASN 44 4.025 13.892 -2.663 269 HB3 ASN 44 1HB ASN 44 5.037 15.150 -3.370 270 HD21 ASN 44 1HD2 ASN 44 3.708 16.759 -3.873 271 HD22 ASN 44 2HD2 ASN 44 2.252 16.610 -4.791 272 H LYS 45 H LYS 45 7.334 13.007 -3.233 273 HA LYS 45 HA LYS 45 8.785 14.971 -4.765 274 HB2 LYS 45 2HB LYS 45 9.102 14.560 -2.293 275 HB3 LYS 45 1HB LYS 45 9.873 13.038 -2.716 276 HG2 LYS 45 2HG LYS 45 11.296 14.748 -4.249 277 HG3 LYS 45 1HG LYS 45 10.892 15.790 -2.884 278 HD2 LYS 45 2HD LYS 45 12.133 13.053 -2.608 279 HD3 LYS 45 1HD LYS 45 13.054 14.557 -2.646 280 HE2 LYS 45 2HE LYS 45 11.119 15.045 -0.741 281 HE3 LYS 45 1HE LYS 45 11.527 13.351 -0.477 282 HZ1 LYS 45 3HZ LYS 45 13.133 14.282 0.782 283 HZ2 LYS 45 1HZ LYS 45 13.153 15.735 -0.085 284 HZ3 LYS 45 2HZ LYS 45 13.957 14.376 -0.691 285 H LEU 46 H LEU 46 8.548 11.469 -4.599 286 HA LEU 46 HA LEU 46 10.814 11.027 -6.311 287 HB2 LEU 46 2HB LEU 46 8.744 9.290 -5.042 288 HB3 LEU 46 1HB LEU 46 9.715 8.647 -6.352 289 HG LEU 46 HG LEU 46 10.812 9.764 -3.770 290 HD11 LEU 46 1HD1 LEU 46 10.020 7.039 -4.635 291 HD12 LEU 46 2HD1 LEU 46 9.961 7.785 -3.039 292 HD13 LEU 46 3HD1 LEU 46 11.495 7.204 -3.684 293 HD21 LEU 46 3HD2 LEU 46 12.565 10.062 -5.206 294 HD22 LEU 46 1HD2 LEU 46 12.054 8.760 -6.280 295 HD23 LEU 46 2HD2 LEU 46 12.838 8.382 -4.746 296 H ASN 47 H ASN 47 7.665 12.030 -6.919 297 HA ASN 47 HA ASN 47 6.322 12.097 -8.749 298 HB2 ASN 47 2HB ASN 47 8.331 13.340 -9.536 299 HB3 ASN 47 1HB ASN 47 8.952 11.840 -10.213 300 HD21 ASN 47 1HD2 ASN 47 6.129 13.977 -10.315 301 HD22 ASN 47 2HD2 ASN 47 5.786 13.726 -11.990 302 H VAL 48 H VAL 48 6.207 9.626 -7.701 303 HA VAL 48 HA VAL 48 6.432 7.798 -10.006 304 HB VAL 48 HB VAL 48 6.356 5.943 -8.352 305 HG11 VAL 48 1HG1 VAL 48 8.574 7.964 -8.170 306 HG12 VAL 48 2HG1 VAL 48 8.499 6.504 -9.155 307 HG13 VAL 48 3HG1 VAL 48 8.666 6.378 -7.405 308 HG21 VAL 48 3HG2 VAL 48 5.216 7.142 -6.542 309 HG22 VAL 48 1HG2 VAL 48 6.653 8.139 -6.302 310 HG23 VAL 48 2HG2 VAL 48 6.718 6.405 -5.988 311 H GLN 49 H GLN 49 4.232 9.641 -9.604 312 HA GLN 49 HA GLN 49 1.994 8.141 -8.592 313 HB2 GLN 49 2HB GLN 49 2.263 10.681 -8.568 314 HB3 GLN 49 1HB GLN 49 1.849 10.635 -10.276 315 HG2 GLN 49 2HG GLN 49 -0.183 11.076 -9.300 316 HG3 GLN 49 1HG GLN 49 -0.237 9.322 -9.478 317 HE21 GLN 49 1HE2 GLN 49 0.912 11.736 -7.120 318 HE22 GLN 49 2HE2 GLN 49 0.302 10.908 -5.732 319 H ASP 50 H ASP 50 3.538 8.556 -11.681 320 HA ASP 50 HA ASP 50 1.267 7.565 -13.186 321 HB2 ASP 50 2HB ASP 50 3.267 9.204 -13.904 322 HB3 ASP 50 1HB ASP 50 3.974 7.674 -14.416 323 H LYS 51 H LYS 51 4.356 6.361 -11.984 324 HA LYS 51 HA LYS 51 4.028 3.787 -13.268 325 HB2 LYS 51 2HB LYS 51 6.107 4.969 -11.443 326 HB3 LYS 51 1HB LYS 51 6.108 3.257 -11.836 327 HG2 LYS 51 2HG LYS 51 6.213 3.887 -14.250 328 HG3 LYS 51 1HG LYS 51 6.411 5.565 -13.745 329 HD2 LYS 51 2HD LYS 51 8.249 3.794 -12.363 330 HD3 LYS 51 1HD LYS 51 8.428 3.689 -14.114 331 HE2 LYS 51 2HE LYS 51 8.347 6.317 -13.942 332 HE3 LYS 51 1HE LYS 51 8.873 6.002 -12.289 333 HZ1 LYS 51 3HZ LYS 51 10.781 6.320 -13.671 334 HZ2 LYS 51 1HZ LYS 51 10.251 5.158 -14.780 335 HZ3 LYS 51 2HZ LYS 51 10.726 4.689 -13.225 336 H VAL 52 H VAL 52 2.997 5.230 -10.341 337 HA VAL 52 HA VAL 52 2.376 2.575 -9.218 338 HB VAL 52 HB VAL 52 2.962 5.059 -7.598 339 HG11 VAL 52 1HG1 VAL 52 2.274 2.235 -6.918 340 HG12 VAL 52 2HG1 VAL 52 1.645 3.739 -6.245 341 HG13 VAL 52 3HG1 VAL 52 3.266 3.192 -5.819 342 HG21 VAL 52 3HG2 VAL 52 5.062 3.810 -6.958 343 HG22 VAL 52 1HG2 VAL 52 5.027 4.471 -8.592 344 HG23 VAL 52 2HG2 VAL 52 4.747 2.749 -8.331 345 H PHE 53 H PHE 53 0.421 2.535 -7.844 346 HA PHE 53 HA PHE 53 -1.500 4.635 -8.575 347 HB2 PHE 53 2HB PHE 53 -1.632 1.976 -9.343 348 HB3 PHE 53 1HB PHE 53 -2.691 2.043 -7.939 349 HD1 PHE 53 2HD PHE 53 -4.252 4.273 -7.976 350 HD2 PHE 53 1HD PHE 53 -2.648 2.259 -11.368 351 HE1 PHE 53 2HE PHE 53 -6.046 5.207 -9.377 352 HE2 PHE 53 1HE PHE 53 -4.439 3.192 -12.773 353 HZ PHE 53 HZ PHE 53 -6.142 4.667 -11.777 354 H VAL 54 H VAL 54 -1.907 5.784 -6.863 355 HA VAL 54 HA VAL 54 -1.892 4.574 -4.195 356 HB VAL 54 HB VAL 54 -2.114 7.510 -4.860 357 HG11 VAL 54 1HG1 VAL 54 -2.831 6.818 -2.600 358 HG12 VAL 54 2HG1 VAL 54 -1.412 7.864 -2.576 359 HG13 VAL 54 3HG1 VAL 54 -1.231 6.128 -2.329 360 HG21 VAL 54 3HG2 VAL 54 -0.051 6.896 -5.806 361 HG22 VAL 54 1HG2 VAL 54 0.325 5.794 -4.481 362 HG23 VAL 54 2HG2 VAL 54 0.348 7.538 -4.213 363 H PHE 55 H PHE 55 -3.689 4.346 -2.977 364 HA PHE 55 HA PHE 55 -6.191 5.536 -3.978 365 HB2 PHE 55 2HB PHE 55 -5.795 2.947 -4.227 366 HB3 PHE 55 1HB PHE 55 -6.215 2.922 -2.517 367 HD1 PHE 55 1HD PHE 55 -8.401 4.442 -2.001 368 HD2 PHE 55 2HD PHE 55 -7.502 2.520 -5.691 369 HE1 PHE 55 1HE PHE 55 -10.789 4.462 -2.587 370 HE2 PHE 55 2HE PHE 55 -9.890 2.535 -6.282 371 HZ PHE 55 HZ PHE 55 -11.536 3.507 -4.731 372 H ASP 56 H ASP 56 -7.269 6.742 -2.557 373 HA ASP 56 HA ASP 56 -6.382 6.745 0.234 374 HB2 ASP 56 2HB ASP 56 -6.743 8.833 -1.438 375 HB3 ASP 56 1HB ASP 56 -8.343 8.761 -0.706 376 H ILE 57 H ILE 57 -7.757 6.411 1.953 377 HA ILE 57 HA ILE 57 -10.553 5.754 1.352 378 HB ILE 57 HB ILE 57 -10.387 3.828 2.981 379 HG12 ILE 57 2HG1 ILE 57 -7.472 3.692 2.327 380 HG13 ILE 57 1HG1 ILE 57 -7.988 4.709 3.669 381 HG21 ILE 57 1HG2 ILE 57 -8.816 3.564 0.423 382 HG22 ILE 57 2HG2 ILE 57 -10.577 3.566 0.542 383 HG23 ILE 57 3HG2 ILE 57 -9.641 2.270 1.290 384 HD11 ILE 57 3HD1 ILE 57 -9.307 2.464 4.282 385 HD12 ILE 57 1HD1 ILE 57 -7.666 2.812 4.829 386 HD13 ILE 57 2HD1 ILE 57 -7.927 1.779 3.422 387 H GLY 58 H GLY 58 -10.681 7.976 2.280 388 HA2 GLY 58 2HA GLY 58 -10.655 7.880 5.235 389 HA3 GLY 58 1HA GLY 58 -10.336 9.336 4.310 390 H SER 59 H SER 59 -12.878 7.118 3.377 391 HA SER 59 HA SER 59 -14.913 8.824 4.607 392 HB2 SER 59 2HB SER 59 -15.211 8.062 1.710 393 HB3 SER 59 1HB SER 59 -16.046 9.325 2.615 394 HG SER 59 HG SER 59 -14.582 10.565 1.746 395 H LEU 60 H LEU 60 -14.172 6.281 5.429 396 HA LEU 60 HA LEU 60 -16.603 4.759 4.800 397 HB2 LEU 60 2HB LEU 60 -14.091 3.243 5.296 398 HB3 LEU 60 1HB LEU 60 -15.519 2.775 4.395 399 HG LEU 60 HG LEU 60 -14.655 4.690 2.755 400 HD11 LEU 60 1HD1 LEU 60 -12.094 3.614 3.922 401 HD12 LEU 60 2HD1 LEU 60 -12.739 5.218 4.267 402 HD13 LEU 60 3HD1 LEU 60 -12.274 4.792 2.622 403 HD21 LEU 60 3HD2 LEU 60 -13.260 2.785 1.662 404 HD22 LEU 60 1HD2 LEU 60 -15.005 2.606 1.833 405 HD23 LEU 60 2HD2 LEU 60 -13.922 1.802 2.969 406 HA PRO 61 HA PRO 61 -16.668 4.878 9.292 407 HB2 PRO 61 2HB PRO 61 -19.069 3.665 9.597 408 HB3 PRO 61 1HB PRO 61 -18.914 5.351 9.090 409 HG2 PRO 61 2HG PRO 61 -19.385 2.909 7.420 410 HG3 PRO 61 1HG PRO 61 -20.175 4.494 7.327 411 HD2 PRO 61 2HD PRO 61 -18.185 3.761 5.646 412 HD3 PRO 61 1HD PRO 61 -18.422 5.441 6.167 413 H ARG 62 H ARG 62 -17.419 3.091 10.989 414 HA ARG 62 HA ARG 62 -15.591 0.981 10.819 415 HB2 ARG 62 2HB ARG 62 -17.947 1.509 12.606 416 HB3 ARG 62 1HB ARG 62 -17.045 0.005 12.734 417 HG2 ARG 62 2HG ARG 62 -15.069 1.926 12.747 418 HG3 ARG 62 1HG ARG 62 -16.374 2.669 13.675 419 HD2 ARG 62 2HD ARG 62 -16.274 1.099 15.337 420 HD3 ARG 62 1HD ARG 62 -15.673 -0.162 14.261 421 HE ARG 62 HE ARG 62 -13.691 1.791 14.485 422 HH11 ARG 62 1HH1 ARG 62 -15.287 -0.569 16.521 423 HH12 ARG 62 2HH1 ARG 62 -13.920 -0.775 17.562 424 HH21 ARG 62 1HH2 ARG 62 -11.891 1.510 15.863 425 HH22 ARG 62 2HH2 ARG 62 -11.996 0.403 17.190 426 H ASN 63 H ASN 63 -18.993 1.148 9.919 427 HA ASN 63 HA ASN 63 -19.523 -1.588 9.654 428 HB2 ASN 63 2HB ASN 63 -20.720 0.914 8.615 429 HB3 ASN 63 1HB ASN 63 -21.075 -0.543 7.693 430 HD21 ASN 63 1HD2 ASN 63 -23.269 -0.358 8.300 431 HD22 ASN 63 2HD2 ASN 63 -23.799 -0.824 9.876 432 H GLU 64 H GLU 64 -18.420 0.737 7.181 433 HA GLU 64 HA GLU 64 -18.093 -1.255 5.169 434 HB2 GLU 64 2HB GLU 64 -18.418 1.288 4.879 435 HB3 GLU 64 1HB GLU 64 -16.690 1.406 5.176 436 HG2 GLU 64 2HG GLU 64 -16.612 1.264 2.930 437 HG3 GLU 64 1HG GLU 64 -16.648 -0.464 3.277 438 H GLN 65 H GLN 65 -15.857 0.421 7.359 439 HA GLN 65 HA GLN 65 -13.461 -0.639 6.400 440 HB2 GLN 65 2HB GLN 65 -14.352 0.471 9.032 441 HB3 GLN 65 1HB GLN 65 -12.778 -0.299 8.919 442 HG2 GLN 65 2HG GLN 65 -13.212 1.588 6.767 443 HG3 GLN 65 1HG GLN 65 -13.386 2.336 8.352 444 HE21 GLN 65 1HE2 GLN 65 -11.483 3.549 7.770 445 HE22 GLN 65 2HE2 GLN 65 -9.920 2.845 7.978 446 H GLU 66 H GLU 66 -15.838 -2.009 8.615 447 HA GLU 66 HA GLU 66 -14.333 -4.105 9.673 448 HB2 GLU 66 2HB GLU 66 -16.672 -3.345 10.340 449 HB3 GLU 66 1HB GLU 66 -17.265 -4.312 8.996 450 HG2 GLU 66 2HG GLU 66 -17.184 -6.149 10.221 451 HG3 GLU 66 1HG GLU 66 -15.481 -5.882 10.589 452 H LYS 67 H LYS 67 -16.392 -4.068 6.761 453 HA LYS 67 HA LYS 67 -15.964 -6.733 6.001 454 HB2 LYS 67 2HB LYS 67 -17.025 -4.297 4.747 455 HB3 LYS 67 1HB LYS 67 -16.304 -5.426 3.607 456 HG2 LYS 67 2HG LYS 67 -18.032 -6.817 3.746 457 HG3 LYS 67 1HG LYS 67 -18.030 -6.768 5.511 458 HD2 LYS 67 2HD LYS 67 -18.993 -4.296 4.292 459 HD3 LYS 67 1HD LYS 67 -19.967 -5.705 3.868 460 HE2 LYS 67 2HE LYS 67 -20.787 -5.916 5.946 461 HE3 LYS 67 1HE LYS 67 -19.232 -5.567 6.698 462 HZ1 LYS 67 3HZ LYS 67 -19.683 -3.369 6.834 463 HZ2 LYS 67 1HZ LYS 67 -21.282 -3.924 6.858 464 HZ3 LYS 67 2HZ LYS 67 -20.612 -3.336 5.420 465 H TRP 68 H TRP 68 -14.171 -3.782 5.203 466 HA TRP 68 HA TRP 68 -12.368 -5.025 3.398 467 HB2 TRP 68 2HB TRP 68 -12.559 -2.392 4.759 468 HB3 TRP 68 1HB TRP 68 -10.967 -2.873 4.182 469 HD1 TRP 68 HD TRP 68 -10.479 -2.003 1.840 470 HE1 TRP 68 1HE TRP 68 -11.861 -1.430 -0.254 471 HE3 TRP 68 3HE TRP 68 -15.132 -3.261 3.555 472 HZ2 TRP 68 2HZ TRP 68 -14.560 -1.501 -1.072 473 HZ3 TRP 68 3HZ TRP 68 -17.058 -2.976 2.053 474 HH2 TRP 68 HH TRP 68 -16.776 -2.114 -0.213 475 H ARG 69 H ARG 69 -12.397 -4.587 6.878 476 HA ARG 69 HA ARG 69 -9.716 -5.067 7.472 477 HB2 ARG 69 2HB ARG 69 -12.199 -4.953 8.915 478 HB3 ARG 69 1HB ARG 69 -11.264 -6.328 9.482 479 HG2 ARG 69 2HG ARG 69 -9.347 -4.438 9.457 480 HG3 ARG 69 1HG ARG 69 -10.767 -3.443 9.778 481 HD2 ARG 69 2HD ARG 69 -11.187 -4.445 11.800 482 HD3 ARG 69 1HD ARG 69 -10.407 -5.957 11.335 483 HE ARG 69 HE ARG 69 -8.416 -5.136 12.107 484 HH11 ARG 69 1HH1 ARG 69 -10.682 -2.480 11.821 485 HH12 ARG 69 2HH1 ARG 69 -9.645 -1.346 12.615 486 HH21 ARG 69 1HH2 ARG 69 -7.051 -3.635 13.155 487 HH22 ARG 69 2HH2 ARG 69 -7.583 -2.002 13.373 488 H ILE 70 H ILE 70 -12.395 -7.382 7.111 489 HA ILE 70 HA ILE 70 -10.711 -9.666 7.548 490 HB ILE 70 HB ILE 70 -13.472 -9.641 6.328 491 HG12 ILE 70 2HG1 ILE 70 -13.210 -10.362 9.167 492 HG13 ILE 70 1HG1 ILE 70 -12.849 -8.673 8.824 493 HG21 ILE 70 1HG2 ILE 70 -11.621 -11.741 7.279 494 HG22 ILE 70 2HG2 ILE 70 -12.832 -11.788 5.998 495 HG23 ILE 70 3HG2 ILE 70 -13.326 -11.944 7.684 496 HD11 ILE 70 3HD1 ILE 70 -15.052 -8.407 9.085 497 HD12 ILE 70 1HD1 ILE 70 -15.401 -10.108 8.773 498 HD13 ILE 70 2HD1 ILE 70 -15.141 -8.999 7.426 499 H ALA 71 H ALA 71 -12.217 -8.157 4.704 500 HA ALA 71 HA ALA 71 -11.487 -10.008 2.768 501 HB1 ALA 71 1HB ALA 71 -11.495 -7.949 1.217 502 HB2 ALA 71 2HB ALA 71 -11.982 -7.057 2.658 503 HB3 ALA 71 3HB ALA 71 -12.982 -8.380 2.059 504 H PHE 72 H PHE 72 -9.679 -7.086 3.760 505 HA PHE 72 HA PHE 72 -7.480 -7.498 2.065 506 HB2 PHE 72 2HB PHE 72 -8.246 -5.562 3.906 507 HB3 PHE 72 1HB PHE 72 -6.763 -6.220 4.588 508 HD1 PHE 72 2HD PHE 72 -7.841 -5.540 1.074 509 HD2 PHE 72 1HD PHE 72 -5.033 -4.764 4.179 510 HE1 PHE 72 2HE PHE 72 -6.521 -4.154 -0.471 511 HE2 PHE 72 1HE PHE 72 -3.711 -3.375 2.637 512 HZ PHE 72 HZ PHE 72 -4.453 -3.070 0.310 513 H GLN 73 H GLN 73 -7.929 -8.401 5.491 514 HA GLN 73 HA GLN 73 -5.410 -9.578 5.856 515 HB2 GLN 73 2HB GLN 73 -7.787 -9.266 7.373 516 HB3 GLN 73 1HB GLN 73 -7.354 -10.969 7.426 517 HG2 GLN 73 2HG GLN 73 -5.040 -10.243 8.092 518 HG3 GLN 73 1HG GLN 73 -5.693 -8.618 8.283 519 HE21 GLN 73 1HE2 GLN 73 -4.887 -11.308 9.922 520 HE22 GLN 73 2HE2 GLN 73 -5.948 -11.170 11.278 521 H LYS 74 H LYS 74 -8.234 -10.749 4.219 522 HA LYS 74 HA LYS 74 -7.485 -13.523 4.320 523 HB2 LYS 74 2HB LYS 74 -9.812 -12.133 3.768 524 HB3 LYS 74 1HB LYS 74 -9.327 -12.738 2.194 525 HG2 LYS 74 2HG LYS 74 -9.843 -14.858 2.712 526 HG3 LYS 74 1HG LYS 74 -9.186 -14.725 4.344 527 HD2 LYS 74 2HD LYS 74 -11.418 -14.972 4.814 528 HD3 LYS 74 1HD LYS 74 -11.306 -13.213 4.724 529 HE2 LYS 74 2HE LYS 74 -12.122 -13.247 2.443 530 HE3 LYS 74 1HE LYS 74 -12.134 -15.010 2.447 531 HZ1 LYS 74 3HZ LYS 74 -14.343 -14.169 2.813 532 HZ2 LYS 74 1HZ LYS 74 -13.826 -13.241 4.129 533 HZ3 LYS 74 2HZ LYS 74 -13.803 -14.929 4.224 534 H VAL 75 H VAL 75 -6.991 -10.815 2.145 535 HA VAL 75 HA VAL 75 -5.965 -12.503 0.023 536 HB VAL 75 HB VAL 75 -5.929 -9.485 0.170 537 HG11 VAL 75 1HG1 VAL 75 -5.162 -9.462 -1.948 538 HG12 VAL 75 2HG1 VAL 75 -6.098 -10.882 -2.417 539 HG13 VAL 75 3HG1 VAL 75 -4.575 -11.076 -1.550 540 HG21 VAL 75 3HG2 VAL 75 -7.930 -10.789 -1.540 541 HG22 VAL 75 1HG2 VAL 75 -8.071 -9.370 -0.501 542 HG23 VAL 75 2HG2 VAL 75 -8.198 -10.986 0.191 543 H VAL 76 H VAL 76 -4.668 -10.007 2.230 544 HA VAL 76 HA VAL 76 -1.978 -11.013 1.582 545 HB VAL 76 HB VAL 76 -1.070 -8.846 2.261 546 HG11 VAL 76 1HG1 VAL 76 -3.140 -8.043 0.311 547 HG12 VAL 76 2HG1 VAL 76 -2.171 -9.458 -0.097 548 HG13 VAL 76 3HG1 VAL 76 -1.384 -7.914 0.225 549 HG21 VAL 76 3HG2 VAL 76 -3.901 -8.316 2.979 550 HG22 VAL 76 1HG2 VAL 76 -2.960 -6.980 2.318 551 HG23 VAL 76 2HG2 VAL 76 -2.415 -7.806 3.777 552 H GLY 77 H GLY 77 -4.090 -10.007 4.238 553 HA2 GLY 77 2HA GLY 77 -4.079 -10.967 6.386 554 HA3 GLY 77 1HA GLY 77 -2.491 -11.638 6.055 555 H SER 78 H SER 78 -3.366 -8.261 5.565 556 HA SER 78 HA SER 78 -2.299 -7.351 8.051 557 HB2 SER 78 2HB SER 78 -0.430 -7.830 5.964 558 HB3 SER 78 1HB SER 78 -0.597 -6.082 6.121 559 HG SER 78 HG SER 78 0.290 -7.968 8.002 560 H ARG 79 H ARG 79 -4.168 -6.161 8.217 561 HA ARG 79 HA ARG 79 -4.765 -4.190 6.135 562 HB2 ARG 79 2HB ARG 79 -6.443 -5.820 7.459 563 HB3 ARG 79 1HB ARG 79 -6.486 -4.435 8.543 564 HG2 ARG 79 2HG ARG 79 -6.757 -3.555 5.830 565 HG3 ARG 79 1HG ARG 79 -7.939 -4.819 6.179 566 HD2 ARG 79 2HD ARG 79 -9.151 -3.094 6.982 567 HD3 ARG 79 1HD ARG 79 -8.155 -3.329 8.417 568 HE ARG 79 HE ARG 79 -7.235 -1.286 8.034 569 HH11 ARG 79 1HH1 ARG 79 -8.579 -2.445 5.017 570 HH12 ARG 79 2HH1 ARG 79 -8.211 -0.994 4.151 571 HH21 ARG 79 1HH2 ARG 79 -6.749 0.624 6.888 572 HH22 ARG 79 2HH2 ARG 79 -7.167 0.749 5.214 573 H ASN 80 H ASN 80 -2.443 -3.839 7.803 574 HA ASN 80 HA ASN 80 -3.177 -1.675 9.626 575 HB2 ASN 80 2HB ASN 80 -1.561 -3.385 10.393 576 HB3 ASN 80 1HB ASN 80 -0.471 -2.924 9.091 577 HD21 ASN 80 1HD2 ASN 80 0.539 -0.880 9.166 578 HD22 ASN 80 2HD2 ASN 80 0.702 -0.018 10.655 579 H LEU 81 H LEU 81 -3.376 0.291 8.767 580 HA LEU 81 HA LEU 81 -1.868 0.996 6.378 581 HB2 LEU 81 2HB LEU 81 -3.236 3.205 6.709 582 HB3 LEU 81 1HB LEU 81 -3.990 1.774 6.039 583 HG LEU 81 HG LEU 81 -5.013 1.276 8.206 584 HD11 LEU 81 1HD1 LEU 81 -3.437 3.668 9.088 585 HD12 LEU 81 2HD1 LEU 81 -3.546 2.071 9.830 586 HD13 LEU 81 3HD1 LEU 81 -4.911 3.182 9.925 587 HD21 LEU 81 3HD2 LEU 81 -6.610 3.090 8.244 588 HD22 LEU 81 1HD2 LEU 81 -6.176 2.715 6.577 589 HD23 LEU 81 2HD2 LEU 81 -5.488 4.132 7.368 590 HA PRO 82 HA PRO 82 -1.328 3.007 5.320 591 HB2 PRO 82 2HB PRO 82 1.534 3.491 4.957 592 HB3 PRO 82 1HB PRO 82 0.166 4.527 4.546 593 HG2 PRO 82 2HG PRO 82 1.878 5.123 6.550 594 HG3 PRO 82 1HG PRO 82 0.163 5.565 6.599 595 HD2 PRO 82 2HD PRO 82 1.567 3.276 7.933 596 HD3 PRO 82 1HD PRO 82 0.322 4.366 8.583 597 H THR 83 H THR 83 -1.449 1.241 4.094 598 HA THR 83 HA THR 83 0.509 -0.908 4.510 599 HB THR 83 HB THR 83 -1.888 -1.414 2.846 600 HG1 THR 83 1HG THR 83 -3.285 -0.882 4.294 601 HG21 THR 83 3HG2 THR 83 -1.939 -3.500 3.905 602 HG22 THR 83 1HG2 THR 83 -0.917 -2.946 5.231 603 HG23 THR 83 2HG2 THR 83 -0.234 -3.155 3.617 604 H ILE 84 H ILE 84 1.891 -1.522 2.959 605 HA ILE 84 HA ILE 84 1.559 -0.337 0.277 606 HB ILE 84 HB ILE 84 4.166 -1.103 1.597 607 HG12 ILE 84 2HG1 ILE 84 3.727 1.739 1.071 608 HG13 ILE 84 1HG1 ILE 84 2.588 1.083 2.241 609 HG21 ILE 84 1HG2 ILE 84 3.723 -0.934 -1.031 610 HG22 ILE 84 2HG2 ILE 84 5.249 -0.466 -0.284 611 HG23 ILE 84 3HG2 ILE 84 4.056 0.765 -0.691 612 HD11 ILE 84 3HD1 ILE 84 4.396 0.328 3.639 613 HD12 ILE 84 1HD1 ILE 84 4.597 2.043 3.278 614 HD13 ILE 84 2HD1 ILE 84 5.580 0.844 2.437 615 H VAL 85 H VAL 85 0.888 -1.865 -1.100 616 HA VAL 85 HA VAL 85 1.994 -4.583 -0.834 617 HB VAL 85 HB VAL 85 0.028 -5.274 -2.287 618 HG11 VAL 85 1HG1 VAL 85 -1.601 -4.993 -0.271 619 HG12 VAL 85 2HG1 VAL 85 -0.179 -4.337 0.540 620 HG13 VAL 85 3HG1 VAL 85 -0.149 -5.980 -0.103 621 HG21 VAL 85 3HG2 VAL 85 -0.569 -3.032 -3.095 622 HG22 VAL 85 1HG2 VAL 85 -1.039 -2.577 -1.457 623 HG23 VAL 85 2HG2 VAL 85 -1.928 -3.836 -2.311 624 H VAL 86 H VAL 86 3.412 -5.198 -2.306 625 HA VAL 86 HA VAL 86 3.349 -3.928 -4.969 626 HB VAL 86 HB VAL 86 5.846 -4.854 -3.539 627 HG11 VAL 86 1HG1 VAL 86 5.404 -4.403 -6.222 628 HG12 VAL 86 2HG1 VAL 86 6.971 -4.406 -5.413 629 HG13 VAL 86 3HG1 VAL 86 6.112 -2.888 -5.667 630 HG21 VAL 86 3HG2 VAL 86 6.349 -2.583 -3.023 631 HG22 VAL 86 1HG2 VAL 86 4.721 -2.903 -2.431 632 HG23 VAL 86 2HG2 VAL 86 4.952 -2.002 -3.929 633 H ASN 87 H ASN 87 3.175 -5.290 -6.634 634 HA ASN 87 HA ASN 87 3.058 -7.195 -7.865 635 HB2 ASN 87 2HB ASN 87 5.427 -7.635 -6.130 636 HB3 ASN 87 1HB ASN 87 4.768 -9.056 -6.932 637 HD21 ASN 87 1HD2 ASN 87 6.214 -9.447 -8.484 638 HD22 ASN 87 2HD2 ASN 87 6.686 -8.319 -9.704 639 H GLY 88 H GLY 88 1.169 -6.898 -5.794 640 HA2 GLY 88 2HA GLY 88 -0.478 -8.094 -4.733 641 HA3 GLY 88 1HA GLY 88 0.046 -9.463 -5.696 642 H LYS 89 H LYS 89 1.620 -7.610 -3.107 643 HA LYS 89 HA LYS 89 1.364 -9.601 -1.140 644 HB2 LYS 89 2HB LYS 89 3.804 -10.245 -1.039 645 HB3 LYS 89 1HB LYS 89 2.892 -10.940 -2.370 646 HG2 LYS 89 2HG LYS 89 3.825 -9.304 -3.898 647 HG3 LYS 89 1HG LYS 89 4.693 -8.534 -2.570 648 HD2 LYS 89 2HD LYS 89 6.311 -10.098 -2.558 649 HD3 LYS 89 1HD LYS 89 5.172 -11.418 -2.846 650 HE2 LYS 89 2HE LYS 89 5.030 -10.310 -5.235 651 HE3 LYS 89 1HE LYS 89 6.616 -9.683 -4.792 652 HZ1 LYS 89 3HZ LYS 89 6.271 -12.027 -5.960 653 HZ2 LYS 89 1HZ LYS 89 6.170 -12.529 -4.349 654 HZ3 LYS 89 2HZ LYS 89 7.551 -11.721 -4.899 655 H PHE 90 H PHE 90 1.781 -8.760 0.800 656 HA PHE 90 HA PHE 90 2.405 -6.006 1.062 657 HB2 PHE 90 2HB PHE 90 0.914 -7.151 2.632 658 HB3 PHE 90 1HB PHE 90 2.237 -8.176 3.170 659 HD1 PHE 90 2HD PHE 90 4.169 -7.123 4.385 660 HD2 PHE 90 1HD PHE 90 0.553 -5.030 3.573 661 HE1 PHE 90 2HE PHE 90 4.732 -5.486 6.128 662 HE2 PHE 90 1HE PHE 90 1.112 -3.387 5.317 663 HZ PHE 90 HZ PHE 90 3.201 -3.614 6.596 664 H TRP 91 H TRP 91 4.375 -5.270 0.627 665 HA TRP 91 HA TRP 91 6.682 -6.682 1.795 666 HB2 TRP 91 2HB TRP 91 6.457 -6.539 -0.776 667 HB3 TRP 91 1HB TRP 91 6.886 -4.843 -0.581 668 HD1 TRP 91 HD TRP 91 8.768 -6.756 1.932 669 HE1 TRP 91 1HE TRP 91 11.178 -7.189 1.146 670 HE3 TRP 91 3HE TRP 91 8.251 -5.511 -3.003 671 HZ2 TRP 91 2HZ TRP 91 12.665 -7.027 -1.248 672 HZ3 TRP 91 3HZ TRP 91 10.218 -5.680 -4.472 673 HH2 TRP 91 HH TRP 91 12.378 -6.421 -3.611 674 H GLY 92 H GLY 92 4.985 -3.643 1.525 675 HA2 GLY 92 2HA GLY 92 7.164 -2.340 3.032 676 HA3 GLY 92 1HA GLY 92 6.028 -1.485 2.007 677 H THR 93 H THR 93 6.799 -1.378 4.939 678 HA THR 93 HA THR 93 4.061 -1.497 6.026 679 HB THR 93 HB THR 93 6.351 -1.557 7.912 680 HG1 THR 93 1HG THR 93 5.734 -3.688 6.171 681 HG21 THR 93 3HG2 THR 93 4.430 -3.619 8.309 682 HG22 THR 93 1HG2 THR 93 3.602 -2.087 8.044 683 HG23 THR 93 2HG2 THR 93 4.806 -2.227 9.325 684 H GLU 94 H GLU 94 4.101 -0.050 8.201 685 HA GLU 94 HA GLU 94 4.453 2.628 7.292 686 HB2 GLU 94 2HB GLU 94 3.615 3.296 9.477 687 HB3 GLU 94 1HB GLU 94 2.627 2.004 8.811 688 HG2 GLU 94 2HG GLU 94 3.579 0.402 10.288 689 HG3 GLU 94 1HG GLU 94 4.819 1.538 10.817 690 H SER 95 H SER 95 6.259 0.496 9.441 691 HA SER 95 HA SER 95 8.147 2.633 10.074 692 HB2 SER 95 2HB SER 95 7.568 -0.063 11.213 693 HB3 SER 95 1HB SER 95 9.189 0.602 11.420 694 HG SER 95 HG SER 95 8.248 1.534 13.075 695 H GLN 96 H GLN 96 7.895 -0.196 8.055 696 HA GLN 96 HA GLN 96 10.549 -0.875 7.679 697 HB2 GLN 96 2HB GLN 96 8.383 -1.911 6.682 698 HB3 GLN 96 1HB GLN 96 8.655 -0.792 5.356 699 HG2 GLN 96 2HG GLN 96 10.085 -2.203 4.448 700 HG3 GLN 96 1HG GLN 96 11.107 -2.097 5.882 701 HE21 GLN 96 1HE2 GLN 96 11.739 -4.216 5.883 702 HE22 GLN 96 2HE2 GLN 96 10.662 -5.525 6.210 703 H LEU 97 H LEU 97 8.763 1.854 6.368 704 HA LEU 97 HA LEU 97 10.610 2.629 4.380 705 HB2 LEU 97 2HB LEU 97 8.858 4.511 5.953 706 HB3 LEU 97 1HB LEU 97 9.474 4.728 4.327 707 HG LEU 97 HG LEU 97 7.601 2.470 4.952 708 HD11 LEU 97 1HD1 LEU 97 6.938 5.362 4.558 709 HD12 LEU 97 2HD1 LEU 97 6.296 4.221 5.740 710 HD13 LEU 97 3HD1 LEU 97 5.820 4.097 4.046 711 HD21 LEU 97 3HD2 LEU 97 8.998 2.934 2.743 712 HD22 LEU 97 1HD2 LEU 97 7.630 3.998 2.406 713 HD23 LEU 97 2HD2 LEU 97 7.361 2.278 2.694 714 H HIS 98 H HIS 98 10.203 3.734 7.741 715 HA HIS 98 HA HIS 98 12.387 5.517 7.745 716 HB2 HIS 98 2HB HIS 98 10.410 5.146 9.466 717 HB3 HIS 98 1HB HIS 98 11.590 4.106 10.257 718 HD1 HIS 98 1HD HIS 98 12.358 5.435 12.212 719 HD2 HIS 98 2HD HIS 98 12.232 7.711 8.735 720 HE1 HIS 98 1HE HIS 98 13.318 7.673 12.837 721 HE2 HIS 98 2HE HIS 98 13.343 8.990 10.689 722 H ARG 99 H ARG 99 12.154 2.060 8.379 723 HA ARG 99 HA ARG 99 14.797 1.797 9.426 724 HB2 ARG 99 2HB ARG 99 12.663 -0.099 8.545 725 HB3 ARG 99 1HB ARG 99 14.301 -0.703 8.741 726 HG2 ARG 99 2HG ARG 99 13.942 0.674 11.066 727 HG3 ARG 99 1HG ARG 99 12.319 0.058 10.752 728 HD2 ARG 99 2HD ARG 99 13.139 -2.199 10.627 729 HD3 ARG 99 1HD ARG 99 14.808 -1.644 10.734 730 HE ARG 99 HE ARG 99 14.575 -1.458 13.006 731 HH11 ARG 99 1HH1 ARG 99 11.395 -1.816 11.579 732 HH12 ARG 99 2HH1 ARG 99 10.601 -2.030 13.100 733 HH21 ARG 99 1HH2 ARG 99 13.519 -1.737 15.010 734 HH22 ARG 99 2HH2 ARG 99 11.806 -1.983 15.049 735 H PHE 100 H PHE 100 13.337 1.287 6.242 736 HA PHE 100 HA PHE 100 15.673 0.281 4.986 737 HB2 PHE 100 2HB PHE 100 12.987 1.100 4.158 738 HB3 PHE 100 1HB PHE 100 14.217 1.462 2.954 739 HD1 PHE 100 1HD PHE 100 12.817 -1.279 5.020 740 HD2 PHE 100 2HD PHE 100 15.069 -0.213 1.571 741 HE1 PHE 100 1HE PHE 100 12.770 -3.621 4.270 742 HE2 PHE 100 2HE PHE 100 15.025 -2.553 0.814 743 HZ PHE 100 HZ PHE 100 13.875 -4.261 2.165 744 H GLU 101 H GLU 101 14.257 3.536 5.172 745 HA GLU 101 HA GLU 101 16.109 4.831 3.508 746 HB2 GLU 101 2HB GLU 101 13.851 5.651 4.592 747 HB3 GLU 101 1HB GLU 101 14.919 6.257 5.849 748 HG2 GLU 101 2HG GLU 101 15.611 6.909 3.043 749 HG3 GLU 101 1HG GLU 101 14.211 7.714 3.751 750 H ALA 102 H ALA 102 16.064 4.437 7.030 751 HA ALA 102 HA ALA 102 18.426 5.848 7.589 752 HB1 ALA 102 1HB ALA 102 16.541 4.833 9.147 753 HB2 ALA 102 2HB ALA 102 18.164 5.162 9.749 754 HB3 ALA 102 3HB ALA 102 17.710 3.520 9.291 755 H LYS 103 H LYS 103 17.877 2.461 6.726 756 HA LYS 103 HA LYS 103 20.572 1.635 7.175 757 HB2 LYS 103 2HB LYS 103 18.187 0.422 5.820 758 HB3 LYS 103 1HB LYS 103 19.770 -0.325 5.668 759 HG2 LYS 103 2HG LYS 103 19.725 -0.073 8.307 760 HG3 LYS 103 1HG LYS 103 17.986 -0.120 8.020 761 HD2 LYS 103 2HD LYS 103 19.499 -2.150 6.545 762 HD3 LYS 103 1HD LYS 103 19.598 -2.310 8.300 763 HE2 LYS 103 2HE LYS 103 17.013 -1.976 8.194 764 HE3 LYS 103 1HE LYS 103 17.209 -2.464 6.511 765 HZ1 LYS 103 3HZ LYS 103 17.688 -4.576 7.086 766 HZ2 LYS 103 1HZ LYS 103 16.826 -4.187 8.489 767 HZ3 LYS 103 2HZ LYS 103 18.516 -4.144 8.495 768 H GLY 104 H GLY 104 18.898 3.145 4.529 769 HA2 GLY 104 2HA GLY 104 19.857 4.151 2.662 770 HA3 GLY 104 1HA GLY 104 21.388 3.392 3.070 771 H THR 105 H THR 105 18.554 1.404 2.922 772 HA THR 105 HA THR 105 19.592 0.175 0.463 773 HB THR 105 HB THR 105 18.385 -1.848 1.161 774 HG1 THR 105 1HG THR 105 17.079 -1.869 2.840 775 HG21 THR 105 3HG2 THR 105 20.009 -0.775 3.452 776 HG22 THR 105 1HG2 THR 105 20.679 -1.514 1.999 777 HG23 THR 105 2HG2 THR 105 19.672 -2.468 3.090 778 H LEU 106 H LEU 106 16.925 1.970 1.684 779 HA LEU 106 HA LEU 106 14.798 1.072 0.148 780 HB2 LEU 106 2HB LEU 106 15.129 3.070 1.926 781 HB3 LEU 106 1HB LEU 106 15.080 4.005 0.444 782 HG LEU 106 HG LEU 106 12.931 2.005 1.091 783 HD11 LEU 106 1HD1 LEU 106 13.444 3.978 2.828 784 HD12 LEU 106 2HD1 LEU 106 11.815 3.411 2.463 785 HD13 LEU 106 3HD1 LEU 106 12.441 4.858 1.678 786 HD21 LEU 106 3HD2 LEU 106 13.422 3.338 -1.192 787 HD22 LEU 106 1HD2 LEU 106 12.413 4.523 -0.363 788 HD23 LEU 106 2HD2 LEU 106 11.803 2.893 -0.654 789 H GLU 107 H GLU 107 17.268 3.499 -0.695 790 HA GLU 107 HA GLU 107 16.300 4.191 -3.217 791 HB2 GLU 107 2HB GLU 107 18.709 4.609 -1.708 792 HB3 GLU 107 1HB GLU 107 19.127 4.213 -3.369 793 HG2 GLU 107 2HG GLU 107 17.139 6.016 -3.751 794 HG3 GLU 107 1HG GLU 107 17.863 6.610 -2.257 795 H GLU 108 H GLU 108 18.548 1.602 -2.286 796 HA GLU 108 HA GLU 108 19.080 0.660 -4.889 797 HB2 GLU 108 2HB GLU 108 20.278 0.118 -2.663 798 HB3 GLU 108 1HB GLU 108 19.043 -1.116 -2.460 799 HG2 GLU 108 2HG GLU 108 20.574 -2.398 -3.493 800 HG3 GLU 108 1HG GLU 108 19.846 -1.709 -4.943 801 H GLU 109 H GLU 109 16.535 -0.109 -2.558 802 HA GLU 109 HA GLU 109 15.453 -2.341 -3.879 803 HB2 GLU 109 2HB GLU 109 14.902 -1.022 -1.537 804 HB3 GLU 109 1HB GLU 109 13.497 -0.624 -2.518 805 HG2 GLU 109 2HG GLU 109 14.495 -3.412 -1.983 806 HG3 GLU 109 1HG GLU 109 13.162 -2.625 -1.140 807 H LEU 110 H LEU 110 14.562 1.107 -4.066 808 HA LEU 110 HA LEU 110 12.445 0.854 -5.855 809 HB2 LEU 110 2HB LEU 110 14.398 3.136 -5.570 810 HB3 LEU 110 1HB LEU 110 12.849 3.221 -6.377 811 HG LEU 110 HG LEU 110 13.307 2.771 -3.430 812 HD11 LEU 110 1HD1 LEU 110 11.683 5.013 -4.444 813 HD12 LEU 110 2HD1 LEU 110 13.418 5.109 -4.747 814 HD13 LEU 110 3HD1 LEU 110 12.820 4.944 -3.096 815 HD21 LEU 110 3HD2 LEU 110 11.381 1.589 -3.649 816 HD22 LEU 110 1HD2 LEU 110 10.914 2.408 -5.141 817 HD23 LEU 110 2HD2 LEU 110 10.683 3.207 -3.585 818 H THR 111 H THR 111 15.923 1.185 -6.468 819 HA THR 111 HA THR 111 15.683 1.403 -9.294 820 HB THR 111 HB THR 111 18.139 0.255 -8.022 821 HG1 THR 111 1HG THR 111 18.623 2.070 -7.014 822 HG21 THR 111 3HG2 THR 111 18.002 0.815 -10.470 823 HG22 THR 111 1HG2 THR 111 19.324 1.566 -9.580 824 HG23 THR 111 2HG2 THR 111 17.891 2.509 -9.988 825 H LYS 112 H LYS 112 15.940 -1.301 -7.063 826 HA LYS 112 HA LYS 112 16.512 -3.310 -8.974 827 HB2 LYS 112 2HB LYS 112 16.825 -3.535 -6.501 828 HB3 LYS 112 1HB LYS 112 15.078 -3.640 -6.331 829 HG2 LYS 112 2HG LYS 112 15.456 -5.847 -6.415 830 HG3 LYS 112 1HG LYS 112 15.503 -5.582 -8.158 831 HD2 LYS 112 2HD LYS 112 17.726 -5.950 -8.281 832 HD3 LYS 112 1HD LYS 112 18.050 -5.126 -6.755 833 HE2 LYS 112 2HE LYS 112 16.626 -7.437 -6.072 834 HE3 LYS 112 1HE LYS 112 17.783 -7.946 -7.302 835 HZ1 LYS 112 3HZ LYS 112 18.742 -8.128 -5.111 836 HZ2 LYS 112 1HZ LYS 112 18.425 -6.498 -4.787 837 HZ3 LYS 112 2HZ LYS 112 19.549 -6.922 -5.978 838 H ILE 113 H ILE 113 13.443 -2.278 -7.473 839 HA ILE 113 HA ILE 113 11.811 -4.090 -8.907 840 HB ILE 113 HB ILE 113 9.912 -2.639 -8.257 841 HG12 ILE 113 2HG1 ILE 113 12.020 -0.895 -6.962 842 HG13 ILE 113 1HG1 ILE 113 11.141 -0.474 -8.427 843 HG21 ILE 113 1HG2 ILE 113 10.025 -3.101 -5.928 844 HG22 ILE 113 2HG2 ILE 113 11.787 -3.081 -5.945 845 HG23 ILE 113 3HG2 ILE 113 10.914 -4.379 -6.757 846 HD11 ILE 113 3HD1 ILE 113 9.462 -1.189 -6.132 847 HD12 ILE 113 1HD1 ILE 113 9.304 0.127 -7.297 848 HD13 ILE 113 2HD1 ILE 113 10.422 0.277 -5.944 849 H GLY 114 H GLY 114 13.190 -1.018 -9.777 850 HA2 GLY 114 2HA GLY 114 13.376 -0.396 -12.078 851 HA3 GLY 114 1HA GLY 114 11.862 -1.228 -12.391 852 H LEU 115 H LEU 115 12.122 0.842 -9.606 853 HA LEU 115 HA LEU 115 10.059 2.562 -10.678 854 HB2 LEU 115 2HB LEU 115 10.646 1.686 -8.163 855 HB3 LEU 115 1HB LEU 115 11.329 3.298 -8.125 856 HG LEU 115 HG LEU 115 9.124 4.223 -8.784 857 HD11 LEU 115 1HD1 LEU 115 7.985 2.575 -9.935 858 HD12 LEU 115 2HD1 LEU 115 7.185 2.552 -8.363 859 HD13 LEU 115 3HD1 LEU 115 8.388 1.325 -8.756 860 HD21 LEU 115 3HD2 LEU 115 8.147 4.050 -6.634 861 HD22 LEU 115 1HD2 LEU 115 9.890 3.917 -6.399 862 HD23 LEU 115 2HD2 LEU 115 8.882 2.471 -6.350 863 H LEU 116 H LEU 116 13.454 2.859 -9.691 864 HA LEU 116 HA LEU 116 13.540 5.482 -11.030 865 HB2 LEU 116 2HB LEU 116 14.718 4.517 -8.493 866 HB3 LEU 116 1HB LEU 116 15.738 5.550 -9.478 867 HG LEU 116 HG LEU 116 13.504 7.024 -9.517 868 HD11 LEU 116 1HD1 LEU 116 12.013 5.928 -8.193 869 HD12 LEU 116 2HD1 LEU 116 12.817 6.914 -6.972 870 HD13 LEU 116 3HD1 LEU 116 13.266 5.221 -7.170 871 HD21 LEU 116 3HD2 LEU 116 15.059 7.324 -7.028 872 HD22 LEU 116 1HD2 LEU 116 14.686 8.499 -8.288 873 HD23 LEU 116 2HD2 LEU 116 15.979 7.327 -8.533 874 HA PRO 117 HA PRO 117 16.312 3.819 -14.026 875 HB2 PRO 117 2HB PRO 117 17.735 6.417 -13.817 876 HB3 PRO 117 1HB PRO 117 17.051 5.622 -15.238 877 HG2 PRO 117 2HG PRO 117 15.845 7.727 -14.158 878 HG3 PRO 117 1HG PRO 117 14.896 6.359 -14.772 879 HD2 PRO 117 2HD PRO 117 15.588 7.071 -11.947 880 HD3 PRO 117 1HD PRO 117 14.065 6.442 -12.609 Start of MODEL 19 1 H MET 9 1HT MET 9 -14.127 -12.655 2.212 2 HA MET 9 HA MET 9 -16.050 -14.800 1.603 3 HB2 MET 9 2HB MET 9 -16.273 -11.785 1.428 4 HB3 MET 9 1HB MET 9 -17.392 -12.893 0.646 5 HG2 MET 9 2HG MET 9 -18.600 -12.739 2.503 6 HG3 MET 9 1HG MET 9 -17.387 -13.786 3.234 7 HE1 MET 9 2HE MET 9 -17.213 -12.314 6.180 8 HE2 MET 9 3HE MET 9 -15.557 -12.213 5.579 9 HE3 MET 9 1HE MET 9 -16.598 -13.544 5.077 10 H SER 10 H SER 10 -15.938 -15.523 -0.449 11 HA SER 10 HA SER 10 -13.713 -15.088 -2.055 12 HB2 SER 10 2HB SER 10 -15.073 -16.141 -3.889 13 HB3 SER 10 1HB SER 10 -15.042 -17.064 -2.387 14 HG SER 10 HG SER 10 -17.141 -15.671 -3.588 15 H ALA 11 H ALA 11 -16.769 -13.373 -1.932 16 HA ALA 11 HA ALA 11 -16.733 -12.026 -4.358 17 HB1 ALA 11 1HB ALA 11 -18.537 -12.057 -2.529 18 HB2 ALA 11 2HB ALA 11 -18.328 -10.580 -3.468 19 HB3 ALA 11 3HB ALA 11 -17.658 -10.691 -1.841 20 H PHE 12 H PHE 12 -14.784 -11.491 -1.509 21 HA PHE 12 HA PHE 12 -13.684 -9.051 -2.725 22 HB2 PHE 12 2HB PHE 12 -14.136 -9.894 0.061 23 HB3 PHE 12 1HB PHE 12 -12.576 -9.136 -0.233 24 HD1 PHE 12 1HD PHE 12 -12.912 -6.986 -1.956 25 HD2 PHE 12 2HD PHE 12 -15.703 -8.463 0.900 26 HE1 PHE 12 1HE PHE 12 -13.971 -4.768 -1.847 27 HE2 PHE 12 2HE PHE 12 -16.767 -6.248 1.011 28 HZ PHE 12 HZ PHE 12 -15.900 -4.396 -0.363 29 H VAL 13 H VAL 13 -12.804 -12.203 -1.350 30 HA VAL 13 HA VAL 13 -10.008 -11.927 -1.519 31 HB VAL 13 HB VAL 13 -11.549 -14.508 -1.839 32 HG11 VAL 13 1HG1 VAL 13 -9.553 -15.559 -0.936 33 HG12 VAL 13 2HG1 VAL 13 -8.765 -13.987 -0.804 34 HG13 VAL 13 3HG1 VAL 13 -9.163 -14.644 -2.392 35 HG21 VAL 13 3HG2 VAL 13 -10.658 -14.326 0.789 36 HG22 VAL 13 1HG2 VAL 13 -12.319 -14.174 0.223 37 HG23 VAL 13 2HG2 VAL 13 -11.326 -12.733 0.435 38 H THR 14 H THR 14 -12.212 -13.611 -3.781 39 HA THR 14 HA THR 14 -10.245 -14.058 -5.756 40 HB THR 14 HB THR 14 -13.210 -13.838 -6.279 41 HG1 THR 14 1HG THR 14 -13.321 -15.308 -4.769 42 HG21 THR 14 3HG2 THR 14 -12.813 -14.777 -8.237 43 HG22 THR 14 1HG2 THR 14 -11.860 -16.062 -7.494 44 HG23 THR 14 2HG2 THR 14 -11.090 -14.540 -7.942 45 H LYS 15 H LYS 15 -12.754 -11.539 -5.457 46 HA LYS 15 HA LYS 15 -12.213 -10.224 -7.873 47 HB2 LYS 15 2HB LYS 15 -13.397 -9.236 -5.285 48 HB3 LYS 15 1HB LYS 15 -13.239 -8.205 -6.700 49 HG2 LYS 15 2HG LYS 15 -14.696 -10.832 -6.769 50 HG3 LYS 15 1HG LYS 15 -15.483 -9.309 -6.349 51 HD2 LYS 15 2HD LYS 15 -14.294 -8.543 -8.609 52 HD3 LYS 15 1HD LYS 15 -14.448 -10.266 -8.960 53 HE2 LYS 15 2HE LYS 15 -16.646 -10.094 -9.304 54 HE3 LYS 15 1HE LYS 15 -16.880 -9.163 -7.825 55 HZ1 LYS 15 3HZ LYS 15 -15.910 -7.238 -9.200 56 HZ2 LYS 15 1HZ LYS 15 -17.512 -7.705 -9.482 57 HZ3 LYS 15 2HZ LYS 15 -16.291 -8.191 -10.547 58 H ALA 16 H ALA 16 -10.675 -9.978 -4.719 59 HA ALA 16 HA ALA 16 -9.210 -7.611 -5.164 60 HB1 ALA 16 1HB ALA 16 -9.401 -8.448 -2.931 61 HB2 ALA 16 2HB ALA 16 -7.696 -8.473 -3.372 62 HB3 ALA 16 3HB ALA 16 -8.630 -9.970 -3.379 63 H GLU 17 H GLU 17 -8.429 -11.023 -5.745 64 HA GLU 17 HA GLU 17 -5.788 -10.701 -6.606 65 HB2 GLU 17 2HB GLU 17 -7.822 -12.755 -7.492 66 HB3 GLU 17 1HB GLU 17 -6.086 -12.869 -7.747 67 HG2 GLU 17 2HG GLU 17 -5.655 -13.162 -5.461 68 HG3 GLU 17 1HG GLU 17 -7.268 -12.617 -5.003 69 H GLU 18 H GLU 18 -8.836 -10.295 -8.311 70 HA GLU 18 HA GLU 18 -7.712 -10.123 -10.920 71 HB2 GLU 18 2HB GLU 18 -10.341 -9.051 -9.880 72 HB3 GLU 18 1HB GLU 18 -9.902 -9.213 -11.575 73 HG2 GLU 18 2HG GLU 18 -9.587 -11.709 -10.149 74 HG3 GLU 18 1HG GLU 18 -11.225 -11.075 -10.009 75 H MET 19 H MET 19 -8.430 -7.776 -8.380 76 HA MET 19 HA MET 19 -7.966 -5.451 -9.951 77 HB2 MET 19 2HB MET 19 -9.065 -5.838 -7.533 78 HB3 MET 19 1HB MET 19 -7.453 -5.351 -7.027 79 HG2 MET 19 2HG MET 19 -8.779 -3.403 -7.068 80 HG3 MET 19 1HG MET 19 -7.715 -3.321 -8.471 81 HE1 MET 19 3HE MET 19 -10.727 -2.834 -6.987 82 HE2 MET 19 1HE MET 19 -12.056 -3.509 -7.929 83 HE3 MET 19 2HE MET 19 -11.424 -1.909 -8.317 84 H ILE 20 H ILE 20 -5.911 -7.296 -7.697 85 HA ILE 20 HA ILE 20 -3.637 -5.623 -8.052 86 HB ILE 20 HB ILE 20 -2.400 -7.520 -6.964 87 HG12 ILE 20 2HG1 ILE 20 -4.910 -8.770 -6.072 88 HG13 ILE 20 1HG1 ILE 20 -4.501 -9.072 -7.756 89 HG21 ILE 20 1HG2 ILE 20 -3.170 -6.989 -4.806 90 HG22 ILE 20 2HG2 ILE 20 -4.803 -6.666 -5.387 91 HG23 ILE 20 3HG2 ILE 20 -3.486 -5.565 -5.796 92 HD11 ILE 20 3HD1 ILE 20 -3.535 -10.847 -6.642 93 HD12 ILE 20 1HD1 ILE 20 -3.014 -9.845 -5.287 94 HD13 ILE 20 2HD1 ILE 20 -2.188 -9.727 -6.840 95 H LYS 21 H LYS 21 -5.044 -8.047 -9.986 96 HA LYS 21 HA LYS 21 -2.769 -9.232 -11.127 97 HB2 LYS 21 2HB LYS 21 -5.376 -9.729 -11.350 98 HB3 LYS 21 1HB LYS 21 -5.182 -8.772 -12.811 99 HG2 LYS 21 2HG LYS 21 -4.358 -10.525 -13.881 100 HG3 LYS 21 1HG LYS 21 -3.068 -10.678 -12.686 101 HD2 LYS 21 2HD LYS 21 -4.182 -12.747 -12.648 102 HD3 LYS 21 1HD LYS 21 -4.776 -11.882 -11.231 103 HE2 LYS 21 2HE LYS 21 -6.797 -12.502 -12.018 104 HE3 LYS 21 1HE LYS 21 -6.593 -11.099 -13.067 105 HZ1 LYS 21 3HZ LYS 21 -7.040 -12.635 -14.641 106 HZ2 LYS 21 1HZ LYS 21 -6.485 -13.937 -13.715 107 HZ3 LYS 21 2HZ LYS 21 -5.381 -12.947 -14.528 108 H SER 22 H SER 22 -4.866 -6.724 -12.586 109 HA SER 22 HA SER 22 -2.737 -5.961 -14.405 110 HB2 SER 22 2HB SER 22 -5.308 -6.098 -14.914 111 HB3 SER 22 1HB SER 22 -5.343 -4.485 -14.203 112 HG SER 22 HG SER 22 -3.661 -5.275 -16.355 113 H HIS 23 H HIS 23 -4.084 -4.893 -11.400 114 HA HIS 23 HA HIS 23 -2.398 -2.480 -11.539 115 HB2 HIS 23 2HB HIS 23 -4.926 -2.791 -9.910 116 HB3 HIS 23 1HB HIS 23 -3.958 -1.335 -10.084 117 HD1 HIS 23 1HD HIS 23 -3.662 -0.998 -13.026 118 HD2 HIS 23 2HD HIS 23 -7.191 -2.355 -11.300 119 HE1 HIS 23 1HE HIS 23 -5.469 -0.494 -14.702 120 HE2 HIS 23 2HE HIS 23 -7.604 -1.260 -13.606 121 HA PRO 24 HA PRO 24 -1.044 -5.381 -8.073 122 HB2 PRO 24 2HB PRO 24 1.549 -5.590 -8.861 123 HB3 PRO 24 1HB PRO 24 0.280 -6.687 -9.411 124 HG2 PRO 24 2HG PRO 24 1.471 -4.317 -10.797 125 HG3 PRO 24 1HG PRO 24 1.052 -5.910 -11.457 126 HD2 PRO 24 2HD PRO 24 -0.526 -3.738 -11.790 127 HD3 PRO 24 1HD PRO 24 -1.179 -5.382 -11.655 128 H TYR 25 H TYR 25 -0.033 -2.340 -9.392 129 HA TYR 25 HA TYR 25 1.695 -1.718 -7.142 130 HB2 TYR 25 2HB TYR 25 1.019 -0.398 -9.740 131 HB3 TYR 25 1HB TYR 25 1.647 0.593 -8.432 132 HD1 TYR 25 2HD TYR 25 3.705 -0.955 -7.189 133 HD2 TYR 25 1HD TYR 25 2.664 -0.768 -11.312 134 HE1 TYR 25 2HE TYR 25 5.996 -1.612 -7.793 135 HE2 TYR 25 1HE TYR 25 4.952 -1.426 -11.925 136 HH TYR 25 HH TYR 25 7.189 -1.417 -10.994 137 H PHE 26 H PHE 26 -0.311 -2.128 -5.759 138 HA PHE 26 HA PHE 26 -1.988 0.279 -5.583 139 HB2 PHE 26 2HB PHE 26 -2.498 -2.571 -5.211 140 HB3 PHE 26 1HB PHE 26 -3.082 -1.601 -3.864 141 HD1 PHE 26 1HD PHE 26 -2.954 -0.759 -7.492 142 HD2 PHE 26 2HD PHE 26 -5.386 -1.598 -4.100 143 HE1 PHE 26 1HE PHE 26 -4.961 -0.169 -8.787 144 HE2 PHE 26 2HE PHE 26 -7.394 -1.010 -5.392 145 HZ PHE 26 HZ PHE 26 -7.185 -0.296 -7.736 146 H GLN 27 H GLN 27 -2.042 1.508 -3.756 147 HA GLN 27 HA GLN 27 -0.675 0.572 -1.349 148 HB2 GLN 27 2HB GLN 27 0.243 2.766 -3.114 149 HB3 GLN 27 1HB GLN 27 0.272 3.104 -1.388 150 HG2 GLN 27 2HG GLN 27 2.107 1.892 -1.112 151 HG3 GLN 27 1HG GLN 27 1.386 0.507 -1.929 152 HE21 GLN 27 1HE2 GLN 27 3.793 2.813 -2.063 153 HE22 GLN 27 2HE2 GLN 27 4.235 2.639 -3.723 154 H LEU 28 H LEU 28 -2.339 0.659 0.034 155 HA LEU 28 HA LEU 28 -4.358 2.704 -0.085 156 HB2 LEU 28 2HB LEU 28 -3.827 0.403 1.778 157 HB3 LEU 28 1HB LEU 28 -5.112 1.556 2.082 158 HG LEU 28 HG LEU 28 -6.047 0.961 -0.191 159 HD11 LEU 28 1HD1 LEU 28 -3.823 -1.035 -0.012 160 HD12 LEU 28 2HD1 LEU 28 -4.303 -0.016 -1.370 161 HD13 LEU 28 3HD1 LEU 28 -5.297 -1.398 -0.912 162 HD21 LEU 28 3HD2 LEU 28 -6.623 -1.490 0.738 163 HD22 LEU 28 1HD2 LEU 28 -7.342 -0.017 1.386 164 HD23 LEU 28 2HD2 LEU 28 -5.974 -0.765 2.207 165 H SER 29 H SER 29 -4.361 4.612 0.909 166 HA SER 29 HA SER 29 -2.920 4.983 3.411 167 HB2 SER 29 2HB SER 29 -2.375 6.785 1.037 168 HB3 SER 29 1HB SER 29 -1.659 6.911 2.642 169 HG SER 29 HG SER 29 -0.677 4.878 2.279 170 H ALA 30 H ALA 30 -3.148 7.556 3.918 171 HA ALA 30 HA ALA 30 -5.748 8.592 3.163 172 HB1 ALA 30 1HB ALA 30 -5.827 6.924 5.246 173 HB2 ALA 30 2HB ALA 30 -6.852 8.354 5.138 174 HB3 ALA 30 3HB ALA 30 -5.374 8.400 6.098 175 H SER 31 H SER 31 -6.161 10.697 4.544 176 HA SER 31 HA SER 31 -3.604 12.157 4.661 177 HB2 SER 31 2HB SER 31 -5.722 12.720 3.054 178 HB3 SER 31 1HB SER 31 -6.102 13.725 4.453 179 HG SER 31 HG SER 31 -4.267 14.127 2.537 180 H TRP 32 H TRP 32 -4.672 10.636 6.872 181 HA TRP 32 HA TRP 32 -4.971 12.826 8.806 182 HB2 TRP 32 2HB TRP 32 -6.897 10.724 8.244 183 HB3 TRP 32 1HB TRP 32 -6.385 10.696 9.927 184 HD1 TRP 32 HD TRP 32 -8.040 13.057 7.372 185 HE1 TRP 32 1HE TRP 32 -9.425 14.801 8.662 186 HE3 TRP 32 3HE TRP 32 -6.669 11.819 12.140 187 HZ2 TRP 32 2HZ TRP 32 -9.876 15.553 11.344 188 HZ3 TRP 32 3HZ TRP 32 -7.623 13.102 14.011 189 HH2 TRP 32 HH TRP 32 -9.192 14.931 13.619 190 H CYS 33 H CYS 33 -4.258 9.354 8.395 191 HA CYS 33 HA CYS 33 -3.076 8.907 10.884 192 HB2 CYS 33 2HB CYS 33 -3.467 7.439 8.513 193 HB3 CYS 33 1HB CYS 33 -1.739 7.375 8.835 194 HG CYS 33 HG CYS 33 -2.436 5.484 10.260 195 HA PRO 34 HA PRO 34 0.751 11.128 10.708 196 HB2 PRO 34 2HB PRO 34 2.241 9.620 12.426 197 HB3 PRO 34 1HB PRO 34 0.997 10.759 12.954 198 HG2 PRO 34 2HG PRO 34 0.841 7.788 12.655 199 HG3 PRO 34 1HG PRO 34 0.188 8.822 13.939 200 HD2 PRO 34 2HD PRO 34 -1.350 7.835 11.943 201 HD3 PRO 34 1HD PRO 34 -1.664 9.409 12.698 202 H ASP 35 H ASP 35 0.926 7.580 10.418 203 HA ASP 35 HA ASP 35 3.498 7.570 9.194 204 HB2 ASP 35 2HB ASP 35 1.321 5.492 9.393 205 HB3 ASP 35 1HB ASP 35 2.837 5.194 8.548 206 H CYS 36 H CYS 36 0.202 7.707 7.974 207 HA CYS 36 HA CYS 36 0.709 7.102 5.286 208 HB2 CYS 36 2HB CYS 36 -1.412 8.821 6.575 209 HB3 CYS 36 1HB CYS 36 -1.386 8.466 4.852 210 HG CYS 36 HG CYS 36 -1.694 6.199 6.963 211 H VAL 37 H VAL 37 0.884 10.171 7.050 212 HA VAL 37 HA VAL 37 1.331 11.846 4.835 213 HB VAL 37 HB VAL 37 2.457 12.272 7.605 214 HG11 VAL 37 1HG1 VAL 37 3.356 14.009 6.472 215 HG12 VAL 37 2HG1 VAL 37 1.756 14.711 6.711 216 HG13 VAL 37 3HG1 VAL 37 2.157 13.931 5.181 217 HG21 VAL 37 3HG2 VAL 37 -0.320 12.373 6.607 218 HG22 VAL 37 1HG2 VAL 37 0.196 13.740 7.594 219 HG23 VAL 37 2HG2 VAL 37 0.293 12.102 8.238 220 H TYR 38 H TYR 38 3.529 9.886 6.786 221 HA TYR 38 HA TYR 38 5.932 10.912 5.637 222 HB2 TYR 38 2HB TYR 38 5.886 9.805 7.843 223 HB3 TYR 38 1HB TYR 38 5.452 8.287 7.066 224 HD1 TYR 38 1HD TYR 38 8.147 10.757 7.539 225 HD2 TYR 38 2HD TYR 38 7.108 6.942 5.962 226 HE1 TYR 38 1HE TYR 38 10.532 10.228 7.260 227 HE2 TYR 38 2HE TYR 38 9.491 6.404 5.679 228 HH TYR 38 HH TYR 38 11.681 7.137 6.707 229 H ALA 39 H ALA 39 3.787 8.205 4.881 230 HA ALA 39 HA ALA 39 5.485 6.939 3.004 231 HB1 ALA 39 1HB ALA 39 3.284 5.965 2.137 232 HB2 ALA 39 2HB ALA 39 2.515 6.855 3.452 233 HB3 ALA 39 3HB ALA 39 3.722 5.620 3.809 234 H ASN 40 H ASN 40 2.980 9.428 2.658 235 HA ASN 40 HA ASN 40 3.196 9.544 -0.190 236 HB2 ASN 40 2HB ASN 40 1.720 11.067 1.904 237 HB3 ASN 40 1HB ASN 40 1.938 11.824 0.328 238 HD21 ASN 40 1HD2 ASN 40 -0.560 11.175 1.338 239 HD22 ASN 40 2HD2 ASN 40 -1.243 9.915 0.375 240 H SER 41 H SER 41 4.744 11.181 2.489 241 HA SER 41 HA SER 41 5.694 13.423 1.118 242 HB2 SER 41 2HB SER 41 7.209 13.750 2.939 243 HB3 SER 41 1HB SER 41 5.732 13.068 3.616 244 HG SER 41 HG SER 41 8.261 11.910 3.321 245 H ILE 42 H ILE 42 7.103 10.189 1.515 246 HA ILE 42 HA ILE 42 9.544 10.774 0.198 247 HB ILE 42 HB ILE 42 8.210 8.077 0.433 248 HG12 ILE 42 2HG1 ILE 42 8.442 9.169 2.633 249 HG13 ILE 42 1HG1 ILE 42 9.510 7.782 2.483 250 HG21 ILE 42 1HG2 ILE 42 9.924 7.658 -1.003 251 HG22 ILE 42 2HG2 ILE 42 10.808 7.528 0.516 252 HG23 ILE 42 3HG2 ILE 42 10.889 9.016 -0.425 253 HD11 ILE 42 3HD1 ILE 42 10.136 10.544 3.007 254 HD12 ILE 42 1HD1 ILE 42 11.039 9.929 1.622 255 HD13 ILE 42 2HD1 ILE 42 11.142 9.104 3.177 256 H TRP 43 H TRP 43 6.593 9.098 -0.945 257 HA TRP 43 HA TRP 43 7.458 8.726 -3.587 258 HB2 TRP 43 2HB TRP 43 4.888 8.590 -2.151 259 HB3 TRP 43 1HB TRP 43 4.753 8.926 -3.875 260 HD1 TRP 43 HD TRP 43 4.954 6.907 -5.475 261 HE1 TRP 43 1HE TRP 43 5.545 4.419 -5.199 262 HE3 TRP 43 3HE TRP 43 6.488 6.968 -0.594 263 HZ2 TRP 43 2HZ TRP 43 6.531 2.708 -3.181 264 HZ3 TRP 43 3HZ TRP 43 7.238 4.862 0.432 265 HH2 TRP 43 HH TRP 43 7.259 2.776 -0.838 266 H ASN 44 H ASN 44 5.899 11.477 -2.031 267 HA ASN 44 HA ASN 44 5.317 12.929 -4.403 268 HB2 ASN 44 2HB ASN 44 4.277 13.330 -2.146 269 HB3 ASN 44 1HB ASN 44 5.797 14.057 -1.638 270 HD21 ASN 44 1HD2 ASN 44 3.159 14.326 -3.959 271 HD22 ASN 44 2HD2 ASN 44 3.304 16.032 -4.198 272 H LYS 45 H LYS 45 8.144 12.697 -2.327 273 HA LYS 45 HA LYS 45 9.516 14.910 -3.553 274 HB2 LYS 45 2HB LYS 45 9.915 14.237 -1.199 275 HB3 LYS 45 1HB LYS 45 10.586 12.715 -1.766 276 HG2 LYS 45 2HG LYS 45 12.106 14.485 -3.148 277 HG3 LYS 45 1HG LYS 45 11.785 15.393 -1.669 278 HD2 LYS 45 2HD LYS 45 13.792 14.181 -1.306 279 HD3 LYS 45 1HD LYS 45 12.530 13.355 -0.388 280 HE2 LYS 45 2HE LYS 45 12.354 11.641 -2.043 281 HE3 LYS 45 1HE LYS 45 13.398 12.526 -3.153 282 HZ1 LYS 45 3HZ LYS 45 14.358 10.591 -1.754 283 HZ2 LYS 45 1HZ LYS 45 14.425 11.737 -0.510 284 HZ3 LYS 45 2HZ LYS 45 15.268 12.002 -1.952 285 H LEU 46 H LEU 46 9.352 11.432 -3.990 286 HA LEU 46 HA LEU 46 11.645 11.332 -5.720 287 HB2 LEU 46 2HB LEU 46 9.592 9.358 -4.817 288 HB3 LEU 46 1HB LEU 46 10.605 8.978 -6.196 289 HG LEU 46 HG LEU 46 11.715 9.726 -3.493 290 HD11 LEU 46 1HD1 LEU 46 11.119 7.009 -4.649 291 HD12 LEU 46 2HD1 LEU 46 10.443 7.722 -3.184 292 HD13 LEU 46 3HD1 LEU 46 12.152 7.289 -3.247 293 HD21 LEU 46 3HD2 LEU 46 12.970 9.718 -5.896 294 HD22 LEU 46 1HD2 LEU 46 13.233 8.053 -5.379 295 HD23 LEU 46 2HD2 LEU 46 13.767 9.389 -4.359 296 H ASN 47 H ASN 47 8.491 12.386 -6.186 297 HA ASN 47 HA ASN 47 7.203 12.834 -7.995 298 HB2 ASN 47 2HB ASN 47 9.246 14.073 -8.636 299 HB3 ASN 47 1HB ASN 47 9.843 12.638 -9.457 300 HD21 ASN 47 1HD2 ASN 47 6.794 14.479 -9.365 301 HD22 ASN 47 2HD2 ASN 47 6.608 14.571 -11.079 302 H VAL 48 H VAL 48 6.997 10.260 -7.242 303 HA VAL 48 HA VAL 48 6.774 8.836 -9.808 304 HB VAL 48 HB VAL 48 7.234 6.702 -8.617 305 HG11 VAL 48 1HG1 VAL 48 9.769 7.497 -8.086 306 HG12 VAL 48 2HG1 VAL 48 9.204 8.824 -9.099 307 HG13 VAL 48 3HG1 VAL 48 9.143 7.170 -9.701 308 HG21 VAL 48 3HG2 VAL 48 7.730 6.537 -6.417 309 HG22 VAL 48 1HG2 VAL 48 6.792 8.026 -6.325 310 HG23 VAL 48 2HG2 VAL 48 8.554 8.095 -6.371 311 H GLN 49 H GLN 49 4.748 10.387 -8.618 312 HA GLN 49 HA GLN 49 2.914 8.445 -7.413 313 HB2 GLN 49 2HB GLN 49 3.046 11.430 -7.491 314 HB3 GLN 49 1HB GLN 49 1.479 10.663 -7.278 315 HG2 GLN 49 2HG GLN 49 3.695 9.749 -5.538 316 HG3 GLN 49 1HG GLN 49 3.025 11.352 -5.239 317 HE21 GLN 49 1HE2 GLN 49 0.889 11.548 -4.543 318 HE22 GLN 49 2HE2 GLN 49 0.002 10.203 -3.920 319 H ASP 50 H ASP 50 3.644 8.420 -10.283 320 HA ASP 50 HA ASP 50 0.945 8.787 -11.405 321 HB2 ASP 50 2HB ASP 50 3.508 9.054 -12.988 322 HB3 ASP 50 1HB ASP 50 1.872 9.416 -13.526 323 H LYS 51 H LYS 51 4.021 7.034 -11.787 324 HA LYS 51 HA LYS 51 2.948 4.974 -13.417 325 HB2 LYS 51 2HB LYS 51 5.460 5.147 -11.753 326 HB3 LYS 51 1HB LYS 51 5.078 3.761 -12.764 327 HG2 LYS 51 2HG LYS 51 5.571 4.847 -14.680 328 HG3 LYS 51 1HG LYS 51 4.966 6.395 -14.087 329 HD2 LYS 51 2HD LYS 51 7.511 5.166 -13.059 330 HD3 LYS 51 1HD LYS 51 7.477 6.204 -14.486 331 HE2 LYS 51 2HE LYS 51 6.635 8.046 -13.209 332 HE3 LYS 51 1HE LYS 51 6.393 7.021 -11.795 333 HZ1 LYS 51 3HZ LYS 51 8.377 8.291 -11.499 334 HZ2 LYS 51 1HZ LYS 51 8.991 7.804 -13.000 335 HZ3 LYS 51 2HZ LYS 51 8.827 6.679 -11.747 336 H VAL 52 H VAL 52 2.791 5.557 -10.032 337 HA VAL 52 HA VAL 52 2.066 2.763 -9.483 338 HB VAL 52 HB VAL 52 2.580 4.936 -7.445 339 HG11 VAL 52 1HG1 VAL 52 3.063 2.907 -6.008 340 HG12 VAL 52 2HG1 VAL 52 2.332 1.944 -7.292 341 HG13 VAL 52 3HG1 VAL 52 1.379 3.170 -6.454 342 HG21 VAL 52 3HG2 VAL 52 4.486 3.169 -8.903 343 HG22 VAL 52 1HG2 VAL 52 4.793 3.533 -7.205 344 HG23 VAL 52 2HG2 VAL 52 4.672 4.843 -8.378 345 H PHE 53 H PHE 53 0.167 2.412 -8.063 346 HA PHE 53 HA PHE 53 -1.872 4.484 -8.467 347 HB2 PHE 53 2HB PHE 53 -2.292 1.487 -8.324 348 HB3 PHE 53 1HB PHE 53 -3.546 2.695 -8.562 349 HD1 PHE 53 2HD PHE 53 -0.350 1.534 -10.111 350 HD2 PHE 53 1HD PHE 53 -4.239 3.163 -10.705 351 HE1 PHE 53 2HE PHE 53 -0.042 1.375 -12.545 352 HE2 PHE 53 1HE PHE 53 -3.936 3.002 -13.142 353 HZ PHE 53 HZ PHE 53 -1.836 2.109 -14.065 354 H VAL 54 H VAL 54 -2.224 5.468 -6.648 355 HA VAL 54 HA VAL 54 -2.004 4.048 -4.094 356 HB VAL 54 HB VAL 54 -2.367 7.017 -4.511 357 HG11 VAL 54 1HG1 VAL 54 -2.728 5.634 -2.234 358 HG12 VAL 54 2HG1 VAL 54 -2.116 7.286 -2.282 359 HG13 VAL 54 3HG1 VAL 54 -0.995 5.934 -2.135 360 HG21 VAL 54 3HG2 VAL 54 0.207 6.799 -3.774 361 HG22 VAL 54 1HG2 VAL 54 -0.317 6.875 -5.455 362 HG23 VAL 54 2HG2 VAL 54 0.039 5.316 -4.710 363 H PHE 55 H PHE 55 -3.687 3.710 -2.740 364 HA PHE 55 HA PHE 55 -6.357 4.441 -3.711 365 HB2 PHE 55 2HB PHE 55 -5.429 2.009 -2.947 366 HB3 PHE 55 1HB PHE 55 -6.102 2.581 -1.426 367 HD1 PHE 55 2HD PHE 55 -8.455 4.096 -2.314 368 HD2 PHE 55 1HD PHE 55 -6.884 0.391 -3.705 369 HE1 PHE 55 2HE PHE 55 -10.699 3.430 -3.072 370 HE2 PHE 55 1HE PHE 55 -9.126 -0.279 -4.463 371 HZ PHE 55 HZ PHE 55 -11.037 1.241 -4.147 372 H ASP 56 H ASP 56 -7.154 6.238 -2.849 373 HA ASP 56 HA ASP 56 -6.385 7.052 -0.154 374 HB2 ASP 56 2HB ASP 56 -6.350 8.713 -2.011 375 HB3 ASP 56 1HB ASP 56 -8.090 8.510 -2.186 376 H ILE 57 H ILE 57 -7.652 6.725 1.569 377 HA ILE 57 HA ILE 57 -10.277 5.545 1.186 378 HB ILE 57 HB ILE 57 -8.900 6.158 3.806 379 HG12 ILE 57 2HG1 ILE 57 -8.897 3.512 2.347 380 HG13 ILE 57 1HG1 ILE 57 -7.586 4.677 2.201 381 HG21 ILE 57 1HG2 ILE 57 -11.392 4.798 3.022 382 HG22 ILE 57 2HG2 ILE 57 -10.967 5.620 4.523 383 HG23 ILE 57 3HG2 ILE 57 -10.421 3.968 4.236 384 HD11 ILE 57 3HD1 ILE 57 -8.379 3.902 4.937 385 HD12 ILE 57 1HD1 ILE 57 -6.784 4.234 4.262 386 HD13 ILE 57 2HD1 ILE 57 -7.567 2.684 3.955 387 H GLY 58 H GLY 58 -10.819 7.761 0.163 388 HA2 GLY 58 2HA GLY 58 -11.947 9.493 2.275 389 HA3 GLY 58 1HA GLY 58 -11.267 10.138 0.791 390 H SER 59 H SER 59 -13.123 7.205 0.644 391 HA SER 59 HA SER 59 -15.623 8.530 0.068 392 HB2 SER 59 2HB SER 59 -14.247 8.693 -2.069 393 HB3 SER 59 1HB SER 59 -14.351 6.935 -2.167 394 HG SER 59 HG SER 59 -16.575 7.098 -2.341 395 H LEU 60 H LEU 60 -14.767 6.609 1.989 396 HA LEU 60 HA LEU 60 -16.773 4.600 1.558 397 HB2 LEU 60 2HB LEU 60 -15.114 2.724 2.053 398 HB3 LEU 60 1HB LEU 60 -15.140 3.374 0.427 399 HG LEU 60 HG LEU 60 -13.193 4.777 2.045 400 HD11 LEU 60 1HD1 LEU 60 -11.705 2.555 1.916 401 HD12 LEU 60 2HD1 LEU 60 -13.277 1.834 2.256 402 HD13 LEU 60 3HD1 LEU 60 -12.603 3.035 3.355 403 HD21 LEU 60 3HD2 LEU 60 -11.756 3.594 0.147 404 HD22 LEU 60 1HD2 LEU 60 -12.790 4.986 -0.184 405 HD23 LEU 60 2HD2 LEU 60 -13.358 3.357 -0.555 406 HA PRO 61 HA PRO 61 -16.662 5.930 5.931 407 HB2 PRO 61 2HB PRO 61 -19.202 4.388 5.856 408 HB3 PRO 61 1HB PRO 61 -18.893 6.012 6.478 409 HG2 PRO 61 2HG PRO 61 -20.188 5.651 4.178 410 HG3 PRO 61 1HG PRO 61 -19.030 6.981 4.372 411 HD2 PRO 61 2HD PRO 61 -18.704 4.370 2.951 412 HD3 PRO 61 1HD PRO 61 -18.114 5.984 2.499 413 H ARG 62 H ARG 62 -17.109 4.640 8.001 414 HA ARG 62 HA ARG 62 -15.376 2.540 8.275 415 HB2 ARG 62 2HB ARG 62 -16.653 1.940 10.360 416 HB3 ARG 62 1HB ARG 62 -16.153 3.619 10.239 417 HG2 ARG 62 2HG ARG 62 -18.698 3.586 9.126 418 HG3 ARG 62 1HG ARG 62 -18.803 2.487 10.504 419 HD2 ARG 62 2HD ARG 62 -17.337 4.666 11.436 420 HD3 ARG 62 1HD ARG 62 -18.612 5.376 10.449 421 HE ARG 62 HE ARG 62 -19.960 3.613 11.979 422 HH11 ARG 62 1HH1 ARG 62 -17.668 6.147 12.770 423 HH12 ARG 62 2HH1 ARG 62 -18.354 6.447 14.330 424 HH21 ARG 62 1HH2 ARG 62 -20.854 4.022 14.038 425 HH22 ARG 62 2HH2 ARG 62 -20.158 5.243 15.049 426 H ASN 63 H ASN 63 -18.717 2.392 7.209 427 HA ASN 63 HA ASN 63 -19.247 -0.318 7.523 428 HB2 ASN 63 2HB ASN 63 -20.461 1.877 6.216 429 HB3 ASN 63 1HB ASN 63 -20.331 0.591 5.019 430 HD21 ASN 63 1HD2 ASN 63 -22.209 1.845 7.428 431 HD22 ASN 63 2HD2 ASN 63 -23.178 0.459 7.779 432 H GLU 64 H GLU 64 -17.739 1.341 4.747 433 HA GLU 64 HA GLU 64 -17.220 -1.138 3.376 434 HB2 GLU 64 2HB GLU 64 -16.952 1.718 2.797 435 HB3 GLU 64 1HB GLU 64 -15.619 0.758 2.167 436 HG2 GLU 64 2HG GLU 64 -16.901 -0.260 0.622 437 HG3 GLU 64 1HG GLU 64 -18.309 -0.320 1.675 438 H GLN 65 H GLN 65 -15.355 1.151 5.327 439 HA GLN 65 HA GLN 65 -12.803 0.107 4.863 440 HB2 GLN 65 2HB GLN 65 -14.053 1.747 7.000 441 HB3 GLN 65 1HB GLN 65 -12.535 0.955 7.397 442 HG2 GLN 65 2HG GLN 65 -11.716 1.994 5.162 443 HG3 GLN 65 1HG GLN 65 -13.089 3.078 5.379 444 HE21 GLN 65 1HE2 GLN 65 -9.890 2.382 6.252 445 HE22 GLN 65 2HE2 GLN 65 -9.700 3.594 7.467 446 H GLU 66 H GLU 66 -15.294 -0.855 7.194 447 HA GLU 66 HA GLU 66 -13.760 -2.695 8.658 448 HB2 GLU 66 2HB GLU 66 -16.514 -1.916 8.499 449 HB3 GLU 66 1HB GLU 66 -16.419 -3.671 8.510 450 HG2 GLU 66 2HG GLU 66 -14.811 -2.163 10.498 451 HG3 GLU 66 1HG GLU 66 -16.553 -2.280 10.734 452 H LYS 67 H LYS 67 -15.719 -3.099 5.729 453 HA LYS 67 HA LYS 67 -15.421 -5.897 5.503 454 HB2 LYS 67 2HB LYS 67 -15.796 -3.957 3.215 455 HB3 LYS 67 1HB LYS 67 -16.223 -5.661 3.247 456 HG2 LYS 67 2HG LYS 67 -17.487 -3.860 5.248 457 HG3 LYS 67 1HG LYS 67 -18.031 -3.776 3.572 458 HD2 LYS 67 2HD LYS 67 -19.357 -5.508 4.028 459 HD3 LYS 67 1HD LYS 67 -17.899 -6.495 4.120 460 HE2 LYS 67 2HE LYS 67 -18.034 -6.691 6.349 461 HE3 LYS 67 1HE LYS 67 -18.440 -4.990 6.563 462 HZ1 LYS 67 3HZ LYS 67 -20.643 -5.419 6.544 463 HZ2 LYS 67 1HZ LYS 67 -20.144 -6.953 7.052 464 HZ3 LYS 67 2HZ LYS 67 -20.521 -6.683 5.426 465 H TRP 68 H TRP 68 -13.532 -3.188 4.211 466 HA TRP 68 HA TRP 68 -11.737 -4.799 2.704 467 HB2 TRP 68 2HB TRP 68 -12.020 -1.962 3.365 468 HB3 TRP 68 1HB TRP 68 -10.342 -2.481 3.255 469 HD1 TRP 68 HD TRP 68 -10.307 -4.369 0.835 470 HE1 TRP 68 1HE TRP 68 -10.865 -3.542 -1.536 471 HE3 TRP 68 3HE TRP 68 -12.998 -0.192 2.043 472 HZ2 TRP 68 2HZ TRP 68 -12.259 -1.399 -2.738 473 HZ3 TRP 68 3HZ TRP 68 -13.908 1.193 0.223 474 HH2 TRP 68 HH TRP 68 -13.545 0.600 -2.117 475 H ARG 69 H ARG 69 -11.751 -3.614 6.023 476 HA ARG 69 HA ARG 69 -9.085 -4.068 6.701 477 HB2 ARG 69 2HB ARG 69 -11.282 -3.182 8.050 478 HB3 ARG 69 1HB ARG 69 -11.054 -4.761 8.788 479 HG2 ARG 69 2HG ARG 69 -9.207 -4.123 9.887 480 HG3 ARG 69 1HG ARG 69 -8.606 -3.165 8.530 481 HD2 ARG 69 2HD ARG 69 -9.075 -1.470 9.974 482 HD3 ARG 69 1HD ARG 69 -10.657 -1.620 9.212 483 HE ARG 69 HE ARG 69 -11.508 -2.407 11.191 484 HH11 ARG 69 1HH1 ARG 69 -8.006 -2.438 11.375 485 HH12 ARG 69 2HH1 ARG 69 -7.980 -2.771 13.071 486 HH21 ARG 69 1HH2 ARG 69 -11.460 -2.860 13.427 487 HH22 ARG 69 2HH2 ARG 69 -9.939 -3.017 14.236 488 H ILE 70 H ILE 70 -11.853 -6.295 6.803 489 HA ILE 70 HA ILE 70 -10.305 -8.495 7.791 490 HB ILE 70 HB ILE 70 -12.991 -8.643 6.420 491 HG12 ILE 70 2HG1 ILE 70 -12.588 -8.488 9.402 492 HG13 ILE 70 1HG1 ILE 70 -12.769 -7.026 8.437 493 HG21 ILE 70 1HG2 ILE 70 -13.022 -10.585 8.267 494 HG22 ILE 70 2HG2 ILE 70 -11.292 -10.535 7.924 495 HG23 ILE 70 3HG2 ILE 70 -12.443 -10.827 6.621 496 HD11 ILE 70 3HD1 ILE 70 -14.876 -7.689 9.425 497 HD12 ILE 70 1HD1 ILE 70 -14.765 -9.267 8.645 498 HD13 ILE 70 2HD1 ILE 70 -14.949 -7.812 7.667 499 H ALA 71 H ALA 71 -11.470 -7.473 4.603 500 HA ALA 71 HA ALA 71 -10.711 -9.754 3.155 501 HB1 ALA 71 1HB ALA 71 -12.006 -8.495 1.810 502 HB2 ALA 71 2HB ALA 71 -10.461 -7.822 1.290 503 HB3 ALA 71 3HB ALA 71 -11.431 -6.974 2.496 504 H PHE 72 H PHE 72 -8.951 -6.662 3.550 505 HA PHE 72 HA PHE 72 -6.633 -7.409 2.175 506 HB2 PHE 72 2HB PHE 72 -7.498 -5.170 3.677 507 HB3 PHE 72 1HB PHE 72 -5.957 -5.670 4.364 508 HD1 PHE 72 1HD PHE 72 -7.317 -5.526 0.883 509 HD2 PHE 72 2HD PHE 72 -4.243 -4.360 3.588 510 HE1 PHE 72 1HE PHE 72 -6.134 -4.395 -0.954 511 HE2 PHE 72 2HE PHE 72 -3.057 -3.228 1.753 512 HZ PHE 72 HZ PHE 72 -4.001 -3.245 -0.519 513 H GLN 73 H GLN 73 -7.519 -7.849 5.581 514 HA GLN 73 HA GLN 73 -5.003 -8.825 6.433 515 HB2 GLN 73 2HB GLN 73 -7.227 -8.084 7.743 516 HB3 GLN 73 1HB GLN 73 -7.449 -9.827 7.781 517 HG2 GLN 73 2HG GLN 73 -4.806 -9.481 8.519 518 HG3 GLN 73 1HG GLN 73 -5.650 -8.148 9.306 519 HE21 GLN 73 1HE2 GLN 73 -5.110 -11.538 9.232 520 HE22 GLN 73 2HE2 GLN 73 -6.064 -11.944 10.613 521 H LYS 74 H LYS 74 -7.707 -10.330 4.810 522 HA LYS 74 HA LYS 74 -6.820 -13.022 5.340 523 HB2 LYS 74 2HB LYS 74 -9.219 -11.877 4.590 524 HB3 LYS 74 1HB LYS 74 -8.681 -12.662 3.116 525 HG2 LYS 74 2HG LYS 74 -8.243 -14.617 4.964 526 HG3 LYS 74 1HG LYS 74 -9.677 -13.819 5.611 527 HD2 LYS 74 2HD LYS 74 -10.893 -14.196 3.595 528 HD3 LYS 74 1HD LYS 74 -9.440 -14.730 2.747 529 HE2 LYS 74 2HE LYS 74 -9.640 -16.822 3.511 530 HE3 LYS 74 1HE LYS 74 -9.957 -16.277 5.157 531 HZ1 LYS 74 3HZ LYS 74 -11.928 -17.278 4.633 532 HZ2 LYS 74 1HZ LYS 74 -11.855 -16.862 2.995 533 HZ3 LYS 74 2HZ LYS 74 -12.279 -15.698 4.145 534 H VAL 75 H VAL 75 -6.443 -10.643 2.787 535 HA VAL 75 HA VAL 75 -5.337 -12.566 0.928 536 HB VAL 75 HB VAL 75 -5.354 -9.556 0.665 537 HG11 VAL 75 1HG1 VAL 75 -3.968 -11.332 -0.820 538 HG12 VAL 75 2HG1 VAL 75 -4.606 -9.814 -1.449 539 HG13 VAL 75 3HG1 VAL 75 -5.496 -11.315 -1.697 540 HG21 VAL 75 3HG2 VAL 75 -7.585 -9.745 0.583 541 HG22 VAL 75 1HG2 VAL 75 -7.523 -11.501 0.446 542 HG23 VAL 75 2HG2 VAL 75 -7.329 -10.498 -0.991 543 H VAL 76 H VAL 76 -4.110 -9.765 2.774 544 HA VAL 76 HA VAL 76 -1.403 -10.829 2.345 545 HB VAL 76 HB VAL 76 -0.638 -8.439 2.865 546 HG11 VAL 76 1HG1 VAL 76 -0.918 -9.741 0.572 547 HG12 VAL 76 2HG1 VAL 76 -0.413 -8.053 0.634 548 HG13 VAL 76 3HG1 VAL 76 -2.092 -8.457 0.277 549 HG21 VAL 76 3HG2 VAL 76 -3.492 -7.843 2.081 550 HG22 VAL 76 1HG2 VAL 76 -2.206 -6.660 2.320 551 HG23 VAL 76 2HG2 VAL 76 -2.797 -7.607 3.684 552 H GLY 77 H GLY 77 -3.532 -9.258 4.711 553 HA2 GLY 77 2HA GLY 77 -3.552 -10.053 6.987 554 HA3 GLY 77 1HA GLY 77 -1.844 -10.421 6.829 555 H SER 78 H SER 78 -3.570 -7.431 5.968 556 HA SER 78 HA SER 78 -2.151 -6.048 8.129 557 HB2 SER 78 2HB SER 78 -2.026 -4.115 6.285 558 HB3 SER 78 1HB SER 78 -0.747 -5.318 6.464 559 HG SER 78 HG SER 78 -1.301 -6.196 4.615 560 H ARG 79 H ARG 79 -3.854 -5.554 9.389 561 HA ARG 79 HA ARG 79 -6.279 -4.454 8.179 562 HB2 ARG 79 2HB ARG 79 -7.145 -4.589 10.568 563 HB3 ARG 79 1HB ARG 79 -6.789 -6.116 9.777 564 HG2 ARG 79 2HG ARG 79 -4.935 -6.519 11.093 565 HG3 ARG 79 1HG ARG 79 -4.727 -4.815 11.501 566 HD2 ARG 79 2HD ARG 79 -7.280 -5.961 12.367 567 HD3 ARG 79 1HD ARG 79 -5.866 -6.700 13.117 568 HE ARG 79 HE ARG 79 -5.457 -3.994 13.318 569 HH11 ARG 79 1HH1 ARG 79 -7.942 -6.226 14.377 570 HH12 ARG 79 2HH1 ARG 79 -8.356 -5.292 15.774 571 HH21 ARG 79 1HH2 ARG 79 -6.015 -2.765 15.157 572 HH22 ARG 79 2HH2 ARG 79 -7.264 -3.328 16.216 573 H ASN 80 H ASN 80 -3.950 -2.852 8.048 574 HA ASN 80 HA ASN 80 -4.942 -0.437 9.245 575 HB2 ASN 80 2HB ASN 80 -3.331 -1.841 10.901 576 HB3 ASN 80 1HB ASN 80 -2.120 -0.906 10.029 577 HD21 ASN 80 1HD2 ASN 80 -1.525 0.463 11.626 578 HD22 ASN 80 2HD2 ASN 80 -2.584 1.612 12.363 579 H LEU 81 H LEU 81 -2.972 1.324 8.925 580 HA LEU 81 HA LEU 81 -1.748 0.877 6.298 581 HB2 LEU 81 2HB LEU 81 -2.444 3.495 6.059 582 HB3 LEU 81 1HB LEU 81 -3.312 2.161 5.334 583 HG LEU 81 HG LEU 81 -4.760 3.851 6.448 584 HD11 LEU 81 1HD1 LEU 81 -6.286 2.274 6.795 585 HD12 LEU 81 2HD1 LEU 81 -5.341 1.506 8.071 586 HD13 LEU 81 3HD1 LEU 81 -5.013 1.129 6.380 587 HD21 LEU 81 3HD2 LEU 81 -4.222 4.626 8.452 588 HD22 LEU 81 1HD2 LEU 81 -2.940 3.430 8.618 589 HD23 LEU 81 2HD2 LEU 81 -4.580 3.040 9.133 590 HA PRO 82 HA PRO 82 -0.977 2.992 4.880 591 HB2 PRO 82 2HB PRO 82 1.903 2.886 4.358 592 HB3 PRO 82 1HB PRO 82 0.732 4.132 3.921 593 HG2 PRO 82 2HG PRO 82 2.617 4.535 5.803 594 HG3 PRO 82 1HG PRO 82 1.008 5.273 5.904 595 HD2 PRO 82 2HD PRO 82 2.074 2.852 7.318 596 HD3 PRO 82 1HD PRO 82 1.076 4.180 7.954 597 H THR 83 H THR 83 -1.117 1.438 3.321 598 HA THR 83 HA THR 83 0.237 -1.119 3.879 599 HB THR 83 HB THR 83 -2.140 -1.365 2.227 600 HG1 THR 83 1HG THR 83 -2.680 -0.561 4.877 601 HG21 THR 83 3HG2 THR 83 -2.784 -2.808 4.312 602 HG22 THR 83 1HG2 THR 83 -1.074 -2.618 4.694 603 HG23 THR 83 2HG2 THR 83 -1.559 -3.353 3.166 604 H ILE 84 H ILE 84 1.899 -1.280 2.478 605 HA ILE 84 HA ILE 84 1.499 -0.405 -0.299 606 HB ILE 84 HB ILE 84 4.106 -1.180 1.015 607 HG12 ILE 84 2HG1 ILE 84 4.305 1.498 0.703 608 HG13 ILE 84 1HG1 ILE 84 2.580 1.365 1.028 609 HG21 ILE 84 1HG2 ILE 84 4.751 0.493 -1.003 610 HG22 ILE 84 2HG2 ILE 84 3.319 -0.284 -1.679 611 HG23 ILE 84 3HG2 ILE 84 4.691 -1.262 -1.160 612 HD11 ILE 84 3HD1 ILE 84 2.931 0.502 3.161 613 HD12 ILE 84 1HD1 ILE 84 4.153 1.762 2.998 614 HD13 ILE 84 2HD1 ILE 84 4.604 0.068 2.812 615 H VAL 85 H VAL 85 0.793 -1.961 -1.606 616 HA VAL 85 HA VAL 85 1.890 -4.682 -1.292 617 HB VAL 85 HB VAL 85 -0.788 -3.964 -2.500 618 HG11 VAL 85 1HG1 VAL 85 0.086 -6.017 -3.396 619 HG12 VAL 85 2HG1 VAL 85 -1.212 -6.399 -2.266 620 HG13 VAL 85 3HG1 VAL 85 0.469 -6.610 -1.781 621 HG21 VAL 85 3HG2 VAL 85 -0.732 -5.466 0.029 622 HG22 VAL 85 1HG2 VAL 85 -1.815 -4.182 -0.509 623 HG23 VAL 85 2HG2 VAL 85 -0.231 -3.779 0.152 624 H VAL 86 H VAL 86 3.275 -5.184 -2.855 625 HA VAL 86 HA VAL 86 2.854 -4.045 -5.542 626 HB VAL 86 HB VAL 86 4.920 -3.241 -4.471 627 HG11 VAL 86 1HG1 VAL 86 5.397 -5.162 -3.052 628 HG12 VAL 86 2HG1 VAL 86 6.785 -4.770 -4.065 629 HG13 VAL 86 3HG1 VAL 86 5.753 -6.139 -4.475 630 HG21 VAL 86 3HG2 VAL 86 5.692 -5.111 -6.690 631 HG22 VAL 86 1HG2 VAL 86 6.301 -3.492 -6.345 632 HG23 VAL 86 2HG2 VAL 86 4.668 -3.703 -6.974 633 H ASN 87 H ASN 87 2.708 -5.404 -7.245 634 HA ASN 87 HA ASN 87 2.404 -7.328 -8.412 635 HB2 ASN 87 2HB ASN 87 4.931 -7.433 -7.724 636 HB3 ASN 87 1HB ASN 87 4.396 -8.732 -6.662 637 HD21 ASN 87 1HD2 ASN 87 4.140 -10.709 -7.489 638 HD22 ASN 87 2HD2 ASN 87 4.212 -11.100 -9.170 639 H GLY 88 H GLY 88 0.746 -6.842 -6.089 640 HA2 GLY 88 2HA GLY 88 -0.945 -7.919 -4.971 641 HA3 GLY 88 1HA GLY 88 -0.556 -9.350 -5.911 642 H LYS 89 H LYS 89 1.740 -7.719 -3.805 643 HA LYS 89 HA LYS 89 1.381 -9.655 -1.691 644 HB2 LYS 89 2HB LYS 89 4.149 -9.330 -2.820 645 HB3 LYS 89 1HB LYS 89 3.541 -10.566 -1.729 646 HG2 LYS 89 2HG LYS 89 2.040 -11.227 -3.752 647 HG3 LYS 89 1HG LYS 89 3.243 -10.339 -4.688 648 HD2 LYS 89 2HD LYS 89 4.176 -12.426 -4.747 649 HD3 LYS 89 1HD LYS 89 4.918 -11.814 -3.269 650 HE2 LYS 89 2HE LYS 89 4.160 -13.782 -2.440 651 HE3 LYS 89 1HE LYS 89 2.684 -12.844 -2.222 652 HZ1 LYS 89 3HZ LYS 89 2.648 -15.157 -3.412 653 HZ2 LYS 89 1HZ LYS 89 3.081 -14.245 -4.770 654 HZ3 LYS 89 2HZ LYS 89 1.647 -13.901 -3.941 655 H PHE 90 H PHE 90 1.765 -8.803 0.208 656 HA PHE 90 HA PHE 90 2.281 -6.033 0.527 657 HB2 PHE 90 2HB PHE 90 0.963 -7.707 2.052 658 HB3 PHE 90 1HB PHE 90 2.532 -7.975 2.801 659 HD1 PHE 90 1HD PHE 90 0.870 -4.888 1.522 660 HD2 PHE 90 2HD PHE 90 2.550 -6.939 4.850 661 HE1 PHE 90 1HE PHE 90 0.536 -2.896 2.917 662 HE2 PHE 90 2HE PHE 90 2.217 -4.946 6.251 663 HZ PHE 90 HZ PHE 90 1.209 -2.920 5.285 664 H TRP 91 H TRP 91 4.225 -5.312 -0.096 665 HA TRP 91 HA TRP 91 6.624 -6.646 0.941 666 HB2 TRP 91 2HB TRP 91 6.248 -6.030 -1.569 667 HB3 TRP 91 1HB TRP 91 6.687 -4.405 -1.055 668 HD1 TRP 91 HD TRP 91 9.182 -4.414 0.414 669 HE1 TRP 91 1HE TRP 91 11.358 -5.571 -0.318 670 HE3 TRP 91 3HE TRP 91 7.232 -7.828 -2.860 671 HZ2 TRP 91 2HZ TRP 91 12.148 -7.653 -2.054 672 HZ3 TRP 91 3HZ TRP 91 8.770 -9.366 -4.013 673 HH2 TRP 91 HH TRP 91 11.178 -9.279 -3.616 674 H GLY 92 H GLY 92 4.847 -3.596 1.036 675 HA2 GLY 92 2HA GLY 92 6.906 -2.553 2.900 676 HA3 GLY 92 1HA GLY 92 5.912 -1.534 1.876 677 H THR 93 H THR 93 6.346 -1.741 4.857 678 HA THR 93 HA THR 93 3.499 -1.852 5.601 679 HB THR 93 HB THR 93 4.003 -2.879 7.685 680 HG1 THR 93 1HG THR 93 6.759 -2.663 7.059 681 HG21 THR 93 3HG2 THR 93 4.418 -4.249 5.400 682 HG22 THR 93 1HG2 THR 93 4.463 -4.958 7.013 683 HG23 THR 93 2HG2 THR 93 5.963 -4.484 6.217 684 H GLU 94 H GLU 94 3.541 -0.907 8.135 685 HA GLU 94 HA GLU 94 4.255 1.881 7.735 686 HB2 GLU 94 2HB GLU 94 2.958 2.310 9.765 687 HB3 GLU 94 1HB GLU 94 2.035 1.350 8.620 688 HG2 GLU 94 2HG GLU 94 1.829 -0.354 10.045 689 HG3 GLU 94 1HG GLU 94 3.521 -0.273 10.530 690 H SER 95 H SER 95 6.558 0.513 7.877 691 HA SER 95 HA SER 95 7.931 1.756 10.006 692 HB2 SER 95 2HB SER 95 6.741 -0.509 10.928 693 HB3 SER 95 1HB SER 95 8.290 -1.157 10.387 694 HG SER 95 HG SER 95 9.269 0.552 11.668 695 H GLN 96 H GLN 96 7.966 -0.955 7.717 696 HA GLN 96 HA GLN 96 10.688 -1.262 7.360 697 HB2 GLN 96 2HB GLN 96 8.518 -2.398 6.262 698 HB3 GLN 96 1HB GLN 96 9.010 -1.374 4.920 699 HG2 GLN 96 2HG GLN 96 11.246 -2.392 5.000 700 HG3 GLN 96 1HG GLN 96 10.694 -3.456 6.290 701 HE21 GLN 96 1HE2 GLN 96 10.120 -2.541 2.934 702 HE22 GLN 96 2HE2 GLN 96 9.490 -4.072 2.437 703 H LEU 97 H LEU 97 8.568 1.243 6.079 704 HA LEU 97 HA LEU 97 10.222 2.287 4.082 705 HB2 LEU 97 2HB LEU 97 8.456 3.964 5.862 706 HB3 LEU 97 1HB LEU 97 8.934 4.294 4.209 707 HG LEU 97 HG LEU 97 7.348 1.827 4.743 708 HD11 LEU 97 1HD1 LEU 97 6.326 3.832 5.983 709 HD12 LEU 97 2HD1 LEU 97 5.294 2.910 4.891 710 HD13 LEU 97 3HD1 LEU 97 5.962 4.458 4.375 711 HD21 LEU 97 3HD2 LEU 97 7.912 3.670 2.491 712 HD22 LEU 97 1HD2 LEU 97 6.324 2.902 2.529 713 HD23 LEU 97 2HD2 LEU 97 7.784 1.911 2.513 714 H HIS 98 H HIS 98 9.881 3.398 7.456 715 HA HIS 98 HA HIS 98 11.990 5.254 7.390 716 HB2 HIS 98 2HB HIS 98 10.160 4.987 9.167 717 HB3 HIS 98 1HB HIS 98 11.174 3.726 9.860 718 HD1 HIS 98 1HD HIS 98 10.409 7.011 10.558 719 HD2 HIS 98 2HD HIS 98 14.040 5.059 10.027 720 HE1 HIS 98 1HE HIS 98 12.118 8.438 11.728 721 HE2 HIS 98 2HE HIS 98 14.308 7.235 11.399 722 H ARG 99 H ARG 99 11.943 1.819 8.297 723 HA ARG 99 HA ARG 99 14.565 1.612 9.226 724 HB2 ARG 99 2HB ARG 99 12.566 -0.300 8.136 725 HB3 ARG 99 1HB ARG 99 14.235 -0.841 8.223 726 HG2 ARG 99 2HG ARG 99 12.911 0.374 10.613 727 HG3 ARG 99 1HG ARG 99 12.648 -1.320 10.198 728 HD2 ARG 99 2HD ARG 99 14.447 -1.467 11.633 729 HD3 ARG 99 1HD ARG 99 15.245 -1.410 10.062 730 HE ARG 99 HE ARG 99 14.914 1.184 11.233 731 HH11 ARG 99 1HH1 ARG 99 16.943 -1.673 11.245 732 HH12 ARG 99 2HH1 ARG 99 18.355 -0.817 11.762 733 HH21 ARG 99 1HH2 ARG 99 16.786 2.304 11.909 734 HH22 ARG 99 2HH2 ARG 99 18.267 1.435 12.139 735 H PHE 100 H PHE 100 13.301 1.393 5.929 736 HA PHE 100 HA PHE 100 15.877 0.751 4.803 737 HB2 PHE 100 2HB PHE 100 13.137 1.225 3.716 738 HB3 PHE 100 1HB PHE 100 14.506 1.405 2.625 739 HD1 PHE 100 2HD PHE 100 16.300 -0.641 3.031 740 HD2 PHE 100 1HD PHE 100 12.082 -0.800 3.569 741 HE1 PHE 100 2HE PHE 100 16.353 -3.074 2.685 742 HE2 PHE 100 1HE PHE 100 12.131 -3.236 3.222 743 HZ PHE 100 HZ PHE 100 14.264 -4.376 2.779 744 H GLU 101 H GLU 101 13.757 3.607 4.869 745 HA GLU 101 HA GLU 101 15.372 5.299 3.324 746 HB2 GLU 101 2HB GLU 101 12.920 5.545 4.410 747 HB3 GLU 101 1HB GLU 101 13.836 6.528 5.541 748 HG2 GLU 101 2HG GLU 101 13.447 8.180 4.096 749 HG3 GLU 101 1HG GLU 101 14.761 7.462 3.167 750 H ALA 102 H ALA 102 15.317 4.708 6.809 751 HA ALA 102 HA ALA 102 17.158 6.682 7.582 752 HB1 ALA 102 1HB ALA 102 15.896 5.695 9.299 753 HB2 ALA 102 2HB ALA 102 17.542 5.133 9.571 754 HB3 ALA 102 3HB ALA 102 16.361 4.062 8.820 755 H LYS 103 H LYS 103 17.651 3.277 6.676 756 HA LYS 103 HA LYS 103 20.468 3.316 7.053 757 HB2 LYS 103 2HB LYS 103 18.569 1.459 5.642 758 HB3 LYS 103 1HB LYS 103 20.307 1.221 5.557 759 HG2 LYS 103 2HG LYS 103 20.182 1.346 8.151 760 HG3 LYS 103 1HG LYS 103 18.476 0.970 7.895 761 HD2 LYS 103 2HD LYS 103 20.112 -0.752 6.282 762 HD3 LYS 103 1HD LYS 103 20.647 -0.818 7.962 763 HE2 LYS 103 2HE LYS 103 18.209 -1.144 8.576 764 HE3 LYS 103 1HE LYS 103 17.907 -1.391 6.857 765 HZ1 LYS 103 3HZ LYS 103 19.548 -3.213 6.917 766 HZ2 LYS 103 1HZ LYS 103 18.213 -3.500 7.916 767 HZ3 LYS 103 2HZ LYS 103 19.687 -3.017 8.591 768 H GLY 104 H GLY 104 18.360 4.205 4.420 769 HA2 GLY 104 2HA GLY 104 18.998 5.593 2.628 770 HA3 GLY 104 1HA GLY 104 20.675 5.154 2.911 771 H THR 105 H THR 105 18.261 2.651 2.770 772 HA THR 105 HA THR 105 19.308 1.844 0.135 773 HB THR 105 HB THR 105 18.491 -0.488 0.932 774 HG1 THR 105 1HG THR 105 18.346 -0.742 3.118 775 HG21 THR 105 3HG2 THR 105 20.702 0.061 2.703 776 HG22 THR 105 1HG2 THR 105 20.953 0.762 1.107 777 HG23 THR 105 2HG2 THR 105 20.624 -0.964 1.269 778 H LEU 106 H LEU 106 16.859 3.537 0.944 779 HA LEU 106 HA LEU 106 14.543 2.041 0.287 780 HB2 LEU 106 2HB LEU 106 14.922 4.478 1.349 781 HB3 LEU 106 1HB LEU 106 14.616 4.949 -0.311 782 HG LEU 106 HG LEU 106 12.571 5.067 0.975 783 HD11 LEU 106 1HD1 LEU 106 12.404 2.661 -0.821 784 HD12 LEU 106 2HD1 LEU 106 12.503 4.323 -1.406 785 HD13 LEU 106 3HD1 LEU 106 11.126 3.812 -0.432 786 HD21 LEU 106 3HD2 LEU 106 12.868 2.115 1.489 787 HD22 LEU 106 1HD2 LEU 106 11.578 3.174 2.056 788 HD23 LEU 106 2HD2 LEU 106 13.216 3.375 2.673 789 H GLU 107 H GLU 107 16.703 4.124 -1.628 790 HA GLU 107 HA GLU 107 15.315 4.088 -4.039 791 HB2 GLU 107 2HB GLU 107 18.144 4.513 -3.250 792 HB3 GLU 107 1HB GLU 107 17.859 4.109 -4.937 793 HG2 GLU 107 2HG GLU 107 16.142 5.989 -4.929 794 HG3 GLU 107 1HG GLU 107 16.852 6.472 -3.391 795 H GLU 108 H GLU 108 17.692 1.765 -2.777 796 HA GLU 108 HA GLU 108 17.816 0.096 -5.027 797 HB2 GLU 108 2HB GLU 108 19.246 0.110 -2.848 798 HB3 GLU 108 1HB GLU 108 18.021 -0.996 -2.240 799 HG2 GLU 108 2HG GLU 108 18.818 -2.707 -3.418 800 HG3 GLU 108 1HG GLU 108 19.003 -1.735 -4.876 801 H GLU 109 H GLU 109 15.577 0.161 -2.288 802 HA GLU 109 HA GLU 109 14.247 -2.252 -2.726 803 HB2 GLU 109 2HB GLU 109 13.997 -0.543 -0.794 804 HB3 GLU 109 1HB GLU 109 12.797 0.224 -1.826 805 HG2 GLU 109 2HG GLU 109 12.496 -2.682 -1.430 806 HG3 GLU 109 1HG GLU 109 12.222 -1.668 -0.015 807 H LEU 110 H LEU 110 13.706 0.945 -4.171 808 HA LEU 110 HA LEU 110 11.447 0.057 -5.718 809 HB2 LEU 110 2HB LEU 110 12.842 2.578 -5.225 810 HB3 LEU 110 1HB LEU 110 12.308 2.401 -6.886 811 HG LEU 110 HG LEU 110 10.293 1.760 -4.818 812 HD11 LEU 110 1HD1 LEU 110 11.393 4.529 -5.213 813 HD12 LEU 110 2HD1 LEU 110 11.150 3.649 -3.704 814 HD13 LEU 110 3HD1 LEU 110 9.760 4.228 -4.621 815 HD21 LEU 110 3HD2 LEU 110 10.242 3.367 -7.371 816 HD22 LEU 110 1HD2 LEU 110 8.839 2.948 -6.388 817 HD23 LEU 110 2HD2 LEU 110 9.764 1.679 -7.190 818 H THR 111 H THR 111 14.879 0.067 -6.148 819 HA THR 111 HA THR 111 14.821 -0.039 -9.019 820 HB THR 111 HB THR 111 17.091 -0.838 -7.186 821 HG1 THR 111 1HG THR 111 17.564 1.214 -6.965 822 HG21 THR 111 3HG2 THR 111 17.876 0.502 -9.585 823 HG22 THR 111 1HG2 THR 111 16.887 -0.904 -9.980 824 HG23 THR 111 2HG2 THR 111 18.336 -1.094 -8.993 825 H LYS 112 H LYS 112 14.623 -2.366 -6.426 826 HA LYS 112 HA LYS 112 15.469 -4.684 -7.733 827 HB2 LYS 112 2HB LYS 112 14.592 -4.142 -5.246 828 HB3 LYS 112 1HB LYS 112 13.161 -4.934 -5.891 829 HG2 LYS 112 2HG LYS 112 14.997 -6.706 -6.669 830 HG3 LYS 112 1HG LYS 112 15.833 -6.036 -5.266 831 HD2 LYS 112 2HD LYS 112 13.184 -6.440 -4.444 832 HD3 LYS 112 1HD LYS 112 13.618 -7.877 -5.373 833 HE2 LYS 112 2HE LYS 112 14.291 -8.434 -3.224 834 HE3 LYS 112 1HE LYS 112 15.783 -7.854 -3.961 835 HZ1 LYS 112 3HZ LYS 112 15.820 -6.707 -2.012 836 HZ2 LYS 112 1HZ LYS 112 14.136 -6.620 -1.877 837 HZ3 LYS 112 2HZ LYS 112 14.954 -5.592 -2.941 838 H ILE 113 H ILE 113 12.541 -2.857 -8.167 839 HA ILE 113 HA ILE 113 11.343 -5.052 -9.711 840 HB ILE 113 HB ILE 113 9.345 -3.380 -9.816 841 HG12 ILE 113 2HG1 ILE 113 10.834 -1.590 -8.658 842 HG13 ILE 113 1HG1 ILE 113 9.155 -1.752 -8.162 843 HG21 ILE 113 1HG2 ILE 113 8.429 -4.349 -7.775 844 HG22 ILE 113 2HG2 ILE 113 10.047 -4.854 -7.284 845 HG23 ILE 113 3HG2 ILE 113 9.305 -5.550 -8.724 846 HD11 ILE 113 3HD1 ILE 113 11.368 -1.745 -6.517 847 HD12 ILE 113 1HD1 ILE 113 10.908 -3.443 -6.599 848 HD13 ILE 113 2HD1 ILE 113 9.734 -2.236 -6.078 849 H GLY 114 H GLY 114 12.824 -1.934 -10.071 850 HA2 GLY 114 2HA GLY 114 13.723 -1.268 -12.180 851 HA3 GLY 114 1HA GLY 114 12.437 -2.157 -12.976 852 H LEU 115 H LEU 115 11.655 -0.090 -10.283 853 HA LEU 115 HA LEU 115 10.161 1.647 -12.095 854 HB2 LEU 115 2HB LEU 115 9.515 0.525 -9.678 855 HB3 LEU 115 1HB LEU 115 9.973 2.148 -9.205 856 HG LEU 115 HG LEU 115 7.561 1.960 -9.558 857 HD11 LEU 115 1HD1 LEU 115 8.844 3.634 -11.708 858 HD12 LEU 115 2HD1 LEU 115 8.721 4.092 -10.009 859 HD13 LEU 115 3HD1 LEU 115 7.260 3.880 -10.973 860 HD21 LEU 115 3HD2 LEU 115 6.577 1.058 -11.366 861 HD22 LEU 115 1HD2 LEU 115 8.135 0.260 -11.581 862 HD23 LEU 115 2HD2 LEU 115 7.767 1.730 -12.480 863 H LEU 116 H LEU 116 12.725 1.800 -9.665 864 HA LEU 116 HA LEU 116 13.349 4.530 -10.581 865 HB2 LEU 116 2HB LEU 116 12.422 3.943 -8.089 866 HB3 LEU 116 1HB LEU 116 14.151 3.829 -7.835 867 HG LEU 116 HG LEU 116 13.421 6.243 -9.289 868 HD11 LEU 116 1HD1 LEU 116 11.415 6.373 -8.130 869 HD12 LEU 116 2HD1 LEU 116 12.521 7.295 -7.117 870 HD13 LEU 116 3HD1 LEU 116 12.090 5.643 -6.674 871 HD21 LEU 116 3HD2 LEU 116 14.858 5.735 -6.685 872 HD22 LEU 116 1HD2 LEU 116 14.816 7.268 -7.554 873 HD23 LEU 116 2HD2 LEU 116 15.604 5.865 -8.278 874 HA PRO 117 HA PRO 117 17.352 2.788 -11.347 875 HB2 PRO 117 2HB PRO 117 18.780 5.047 -11.708 876 HB3 PRO 117 1HB PRO 117 17.579 4.496 -12.883 877 HG2 PRO 117 2HG PRO 117 17.347 6.610 -10.781 878 HG3 PRO 117 1HG PRO 117 16.751 6.619 -12.451 879 HD2 PRO 117 2HD PRO 117 15.183 6.083 -10.268 880 HD3 PRO 117 1HD PRO 117 14.843 5.480 -11.901 Start of MODEL 20 1 H MET 9 1HT MET 9 -20.341 -16.505 1.827 2 HA MET 9 HA MET 9 -18.561 -14.830 1.664 3 HB2 MET 9 2HB MET 9 -16.923 -16.298 2.735 4 HB3 MET 9 1HB MET 9 -18.549 -16.672 3.282 5 HG2 MET 9 2HG MET 9 -18.564 -18.721 2.297 6 HG3 MET 9 1HG MET 9 -17.470 -18.233 1.002 7 HE1 MET 9 2HE MET 9 -17.093 -20.675 1.567 8 HE2 MET 9 3HE MET 9 -16.333 -21.293 3.034 9 HE3 MET 9 1HE MET 9 -15.335 -20.706 1.703 10 H SER 10 H SER 10 -16.119 -14.871 1.173 11 HA SER 10 HA SER 10 -14.438 -14.695 -0.336 12 HB2 SER 10 2HB SER 10 -15.311 -17.309 -0.588 13 HB3 SER 10 1HB SER 10 -15.323 -16.713 -2.248 14 HG SER 10 HG SER 10 -13.194 -17.178 -0.549 15 H ALA 11 H ALA 11 -17.241 -13.482 -0.827 16 HA ALA 11 HA ALA 11 -17.328 -13.185 -3.697 17 HB1 ALA 11 1HB ALA 11 -19.462 -13.043 -2.885 18 HB2 ALA 11 2HB ALA 11 -19.049 -11.329 -2.935 19 HB3 ALA 11 3HB ALA 11 -18.968 -12.213 -1.411 20 H PHE 12 H PHE 12 -16.053 -11.443 -0.957 21 HA PHE 12 HA PHE 12 -15.304 -9.174 -2.660 22 HB2 PHE 12 2HB PHE 12 -16.357 -9.134 -0.180 23 HB3 PHE 12 1HB PHE 12 -14.649 -9.160 0.236 24 HD1 PHE 12 1HD PHE 12 -16.730 -7.428 -2.344 25 HD2 PHE 12 2HD PHE 12 -13.822 -7.096 0.746 26 HE1 PHE 12 1HE PHE 12 -16.609 -5.000 -2.723 27 HE2 PHE 12 2HE PHE 12 -13.696 -4.669 0.372 28 HZ PHE 12 HZ PHE 12 -15.090 -3.618 -1.363 29 H VAL 13 H VAL 13 -13.956 -11.837 -0.816 30 HA VAL 13 HA VAL 13 -11.271 -11.002 -0.740 31 HB VAL 13 HB VAL 13 -12.223 -13.863 -0.938 32 HG11 VAL 13 1HG1 VAL 13 -10.179 -14.471 0.081 33 HG12 VAL 13 2HG1 VAL 13 -9.784 -12.795 0.463 34 HG13 VAL 13 3HG1 VAL 13 -9.764 -13.346 -1.211 35 HG21 VAL 13 3HG2 VAL 13 -12.876 -13.863 1.223 36 HG22 VAL 13 1HG2 VAL 13 -13.113 -12.138 0.942 37 HG23 VAL 13 2HG2 VAL 13 -11.634 -12.710 1.709 38 H THR 14 H THR 14 -12.931 -13.149 -3.071 39 HA THR 14 HA THR 14 -10.720 -13.500 -4.778 40 HB THR 14 HB THR 14 -12.780 -14.918 -4.784 41 HG1 THR 14 1HG THR 14 -11.986 -13.775 -7.257 42 HG21 THR 14 3HG2 THR 14 -14.018 -12.764 -6.476 43 HG22 THR 14 1HG2 THR 14 -14.430 -13.040 -4.783 44 HG23 THR 14 2HG2 THR 14 -14.728 -14.301 -5.981 45 H LYS 15 H LYS 15 -13.247 -11.037 -4.672 46 HA LYS 15 HA LYS 15 -12.725 -9.814 -7.142 47 HB2 LYS 15 2HB LYS 15 -14.197 -9.133 -4.704 48 HB3 LYS 15 1HB LYS 15 -13.520 -7.729 -5.516 49 HG2 LYS 15 2HG LYS 15 -15.840 -8.266 -6.194 50 HG3 LYS 15 1HG LYS 15 -14.694 -8.243 -7.535 51 HD2 LYS 15 2HD LYS 15 -15.051 -10.405 -8.007 52 HD3 LYS 15 1HD LYS 15 -14.959 -10.875 -6.309 53 HE2 LYS 15 2HE LYS 15 -17.182 -10.923 -6.097 54 HE3 LYS 15 1HE LYS 15 -17.376 -9.380 -6.925 55 HZ1 LYS 15 3HZ LYS 15 -18.423 -11.345 -8.035 56 HZ2 LYS 15 1HZ LYS 15 -16.867 -11.924 -8.359 57 HZ3 LYS 15 2HZ LYS 15 -17.375 -10.449 -9.015 58 H ALA 16 H ALA 16 -11.201 -9.445 -3.990 59 HA ALA 16 HA ALA 16 -9.648 -7.154 -4.598 60 HB1 ALA 16 1HB ALA 16 -9.650 -9.216 -2.470 61 HB2 ALA 16 2HB ALA 16 -9.660 -7.459 -2.344 62 HB3 ALA 16 3HB ALA 16 -8.157 -8.308 -2.706 63 H GLU 17 H GLU 17 -9.077 -10.625 -4.946 64 HA GLU 17 HA GLU 17 -6.357 -10.476 -5.671 65 HB2 GLU 17 2HB GLU 17 -8.479 -12.513 -5.743 66 HB3 GLU 17 1HB GLU 17 -7.241 -12.708 -6.977 67 HG2 GLU 17 2HG GLU 17 -6.157 -12.141 -4.336 68 HG3 GLU 17 1HG GLU 17 -7.102 -13.625 -4.400 69 H GLU 18 H GLU 18 -9.331 -10.356 -7.597 70 HA GLU 18 HA GLU 18 -8.032 -10.375 -10.117 71 HB2 GLU 18 2HB GLU 18 -10.771 -9.490 -9.227 72 HB3 GLU 18 1HB GLU 18 -10.242 -9.326 -10.896 73 HG2 GLU 18 2HG GLU 18 -10.069 -11.968 -9.509 74 HG3 GLU 18 1HG GLU 18 -11.597 -11.408 -10.185 75 H MET 19 H MET 19 -8.775 -7.846 -7.804 76 HA MET 19 HA MET 19 -8.373 -5.642 -9.548 77 HB2 MET 19 2HB MET 19 -8.522 -6.015 -6.592 78 HB3 MET 19 1HB MET 19 -7.807 -4.527 -7.199 79 HG2 MET 19 2HG MET 19 -10.516 -5.501 -8.050 80 HG3 MET 19 1HG MET 19 -10.260 -4.446 -6.660 81 HE1 MET 19 3HE MET 19 -11.478 -4.017 -10.318 82 HE2 MET 19 1HE MET 19 -11.860 -2.424 -9.668 83 HE3 MET 19 2HE MET 19 -12.181 -3.867 -8.707 84 H ILE 20 H ILE 20 -6.220 -7.382 -7.306 85 HA ILE 20 HA ILE 20 -3.970 -5.723 -7.816 86 HB ILE 20 HB ILE 20 -2.672 -7.513 -6.698 87 HG12 ILE 20 2HG1 ILE 20 -5.316 -8.887 -6.236 88 HG13 ILE 20 1HG1 ILE 20 -4.183 -9.390 -7.487 89 HG21 ILE 20 1HG2 ILE 20 -4.961 -6.097 -5.522 90 HG22 ILE 20 2HG2 ILE 20 -3.252 -6.062 -5.085 91 HG23 ILE 20 3HG2 ILE 20 -4.275 -7.392 -4.541 92 HD11 ILE 20 3HD1 ILE 20 -4.257 -10.253 -4.861 93 HD12 ILE 20 1HD1 ILE 20 -2.887 -9.145 -4.921 94 HD13 ILE 20 2HD1 ILE 20 -2.959 -10.518 -6.025 95 H LYS 21 H LYS 21 -5.463 -8.212 -9.601 96 HA LYS 21 HA LYS 21 -3.264 -9.432 -10.831 97 HB2 LYS 21 2HB LYS 21 -5.880 -9.900 -10.915 98 HB3 LYS 21 1HB LYS 21 -5.754 -8.965 -12.398 99 HG2 LYS 21 2HG LYS 21 -5.267 -10.898 -13.384 100 HG3 LYS 21 1HG LYS 21 -3.676 -10.737 -12.638 101 HD2 LYS 21 2HD LYS 21 -5.871 -11.953 -11.037 102 HD3 LYS 21 1HD LYS 21 -5.147 -12.916 -12.325 103 HE2 LYS 21 2HE LYS 21 -3.510 -11.525 -10.218 104 HE3 LYS 21 1HE LYS 21 -4.133 -13.160 -10.008 105 HZ1 LYS 21 3HZ LYS 21 -2.969 -13.433 -12.363 106 HZ2 LYS 21 1HZ LYS 21 -2.134 -13.657 -10.908 107 HZ3 LYS 21 2HZ LYS 21 -1.997 -12.194 -11.743 108 H SER 22 H SER 22 -5.398 -6.928 -12.235 109 HA SER 22 HA SER 22 -3.382 -6.237 -14.197 110 HB2 SER 22 2HB SER 22 -5.708 -6.277 -14.917 111 HB3 SER 22 1HB SER 22 -6.140 -5.091 -13.685 112 HG SER 22 HG SER 22 -5.812 -4.197 -15.809 113 H HIS 23 H HIS 23 -4.507 -5.080 -11.126 114 HA HIS 23 HA HIS 23 -2.757 -2.728 -11.412 115 HB2 HIS 23 2HB HIS 23 -5.415 -3.051 -10.085 116 HB3 HIS 23 1HB HIS 23 -4.267 -1.907 -9.406 117 HD1 HIS 23 1HD HIS 23 -3.128 -0.632 -11.926 118 HD2 HIS 23 2HD HIS 23 -7.166 -1.458 -11.391 119 HE1 HIS 23 1HE HIS 23 -4.346 0.926 -13.479 120 HE2 HIS 23 2HE HIS 23 -6.781 0.350 -13.199 121 HA PRO 24 HA PRO 24 -1.148 -5.583 -8.051 122 HB2 PRO 24 2HB PRO 24 1.371 -5.828 -9.017 123 HB3 PRO 24 1HB PRO 24 0.049 -6.892 -9.509 124 HG2 PRO 24 2HG PRO 24 1.188 -4.510 -10.919 125 HG3 PRO 24 1HG PRO 24 0.717 -6.086 -11.582 126 HD2 PRO 24 2HD PRO 24 -0.858 -3.888 -11.771 127 HD3 PRO 24 1HD PRO 24 -1.513 -5.533 -11.652 128 H TYR 25 H TYR 25 -0.097 -2.601 -9.529 129 HA TYR 25 HA TYR 25 1.669 -1.961 -7.306 130 HB2 TYR 25 2HB TYR 25 1.110 -0.756 -9.989 131 HB3 TYR 25 1HB TYR 25 1.818 0.247 -8.729 132 HD1 TYR 25 2HD TYR 25 3.967 -0.654 -7.596 133 HD2 TYR 25 1HD TYR 25 2.479 -2.099 -11.313 134 HE1 TYR 25 2HE TYR 25 6.194 -1.542 -8.138 135 HE2 TYR 25 1HE TYR 25 4.705 -2.992 -11.862 136 HH TYR 25 HH TYR 25 7.483 -2.109 -10.277 137 H PHE 26 H PHE 26 -0.304 -2.109 -5.885 138 HA PHE 26 HA PHE 26 -1.815 0.411 -5.904 139 HB2 PHE 26 2HB PHE 26 -2.617 -2.329 -5.501 140 HB3 PHE 26 1HB PHE 26 -3.016 -1.366 -4.083 141 HD1 PHE 26 2HD PHE 26 -3.124 -0.832 -7.786 142 HD2 PHE 26 1HD PHE 26 -5.185 -0.647 -4.064 143 HE1 PHE 26 2HE PHE 26 -5.122 0.029 -8.936 144 HE2 PHE 26 1HE PHE 26 -7.184 0.211 -5.210 145 HZ PHE 26 HZ PHE 26 -7.154 0.550 -7.648 146 H GLN 27 H GLN 27 -1.585 1.805 -4.273 147 HA GLN 27 HA GLN 27 -0.098 0.913 -1.888 148 HB2 GLN 27 2HB GLN 27 -0.080 3.706 -3.042 149 HB3 GLN 27 1HB GLN 27 0.940 3.077 -1.754 150 HG2 GLN 27 2HG GLN 27 1.501 1.372 -3.818 151 HG3 GLN 27 1HG GLN 27 1.242 2.902 -4.653 152 HE21 GLN 27 1HE2 GLN 27 3.656 1.153 -3.908 153 HE22 GLN 27 2HE2 GLN 27 4.788 2.292 -3.271 154 H LEU 28 H LEU 28 -1.675 0.590 -0.419 155 HA LEU 28 HA LEU 28 -3.996 2.268 -0.238 156 HB2 LEU 28 2HB LEU 28 -2.938 0.087 1.554 157 HB3 LEU 28 1HB LEU 28 -4.455 0.920 1.830 158 HG LEU 28 HG LEU 28 -4.416 -0.077 -0.859 159 HD11 LEU 28 1HD1 LEU 28 -2.779 -1.695 -0.026 160 HD12 LEU 28 2HD1 LEU 28 -4.314 -2.461 -0.428 161 HD13 LEU 28 3HD1 LEU 28 -3.896 -2.159 1.258 162 HD21 LEU 28 3HD2 LEU 28 -6.083 -0.265 1.579 163 HD22 LEU 28 1HD2 LEU 28 -6.312 -1.511 0.352 164 HD23 LEU 28 2HD2 LEU 28 -6.523 0.189 -0.067 165 H SER 29 H SER 29 -4.246 4.080 0.886 166 HA SER 29 HA SER 29 -2.791 4.580 3.325 167 HB2 SER 29 2HB SER 29 -2.121 6.927 2.231 168 HB3 SER 29 1HB SER 29 -1.058 5.525 2.154 169 HG SER 29 HG SER 29 -2.779 6.538 0.150 170 H ALA 30 H ALA 30 -3.391 6.775 4.244 171 HA ALA 30 HA ALA 30 -5.754 8.068 3.282 172 HB1 ALA 30 1HB ALA 30 -6.286 6.891 5.940 173 HB2 ALA 30 2HB ALA 30 -6.358 5.787 4.568 174 HB3 ALA 30 3HB ALA 30 -7.389 7.219 4.604 175 H SER 31 H SER 31 -6.653 9.525 5.235 176 HA SER 31 HA SER 31 -4.290 10.896 6.291 177 HB2 SER 31 2HB SER 31 -5.796 12.811 6.642 178 HB3 SER 31 1HB SER 31 -5.867 12.246 4.973 179 HG SER 31 HG SER 31 -7.877 11.603 5.262 180 H TRP 32 H TRP 32 -5.358 8.428 7.516 181 HA TRP 32 HA TRP 32 -6.298 9.450 10.105 182 HB2 TRP 32 2HB TRP 32 -6.997 7.153 8.537 183 HB3 TRP 32 1HB TRP 32 -6.338 6.611 10.074 184 HD1 TRP 32 HD TRP 32 -8.445 9.816 9.779 185 HE1 TRP 32 1HE TRP 32 -10.629 9.480 11.098 186 HE3 TRP 32 3HE TRP 32 -7.933 4.865 10.957 187 HZ2 TRP 32 2HZ TRP 32 -11.961 7.391 12.458 188 HZ3 TRP 32 3HZ TRP 32 -9.705 3.775 12.268 189 HH2 TRP 32 HH TRP 32 -11.677 5.014 13.003 190 H CYS 33 H CYS 33 -3.804 7.409 8.618 191 HA CYS 33 HA CYS 33 -2.451 7.190 11.210 192 HB2 CYS 33 2HB CYS 33 -2.675 5.477 8.906 193 HB3 CYS 33 1HB CYS 33 -0.978 5.798 9.246 194 HG CYS 33 HG CYS 33 -1.324 4.767 11.617 195 HA PRO 34 HA PRO 34 0.571 10.249 10.189 196 HB2 PRO 34 2HB PRO 34 2.706 9.345 11.613 197 HB3 PRO 34 1HB PRO 34 1.305 10.123 12.358 198 HG2 PRO 34 2HG PRO 34 1.965 7.215 12.136 199 HG3 PRO 34 1HG PRO 34 1.291 8.110 13.510 200 HD2 PRO 34 2HD PRO 34 -0.232 6.593 11.855 201 HD3 PRO 34 1HD PRO 34 -0.848 8.047 12.666 202 H ASP 35 H ASP 35 1.664 6.860 9.960 203 HA ASP 35 HA ASP 35 3.936 7.303 8.386 204 HB2 ASP 35 2HB ASP 35 2.174 4.954 8.903 205 HB3 ASP 35 1HB ASP 35 3.291 4.865 7.544 206 H CYS 36 H CYS 36 0.544 7.052 7.513 207 HA CYS 36 HA CYS 36 0.755 6.631 4.776 208 HB2 CYS 36 2HB CYS 36 -1.278 8.389 6.164 209 HB3 CYS 36 1HB CYS 36 -1.459 7.630 4.586 210 HG CYS 36 HG CYS 36 -1.829 5.381 5.698 211 H VAL 37 H VAL 37 0.914 9.669 6.612 212 HA VAL 37 HA VAL 37 1.114 11.371 4.352 213 HB VAL 37 HB VAL 37 2.219 11.951 7.101 214 HG11 VAL 37 1HG1 VAL 37 1.084 13.860 5.068 215 HG12 VAL 37 2HG1 VAL 37 2.800 13.462 5.168 216 HG13 VAL 37 3HG1 VAL 37 1.996 14.242 6.529 217 HG21 VAL 37 3HG2 VAL 37 0.091 11.543 7.760 218 HG22 VAL 37 1HG2 VAL 37 -0.572 11.768 6.142 219 HG23 VAL 37 2HG2 VAL 37 -0.171 13.169 7.134 220 H TYR 38 H TYR 38 3.550 9.846 6.448 221 HA TYR 38 HA TYR 38 5.814 11.069 5.314 222 HB2 TYR 38 2HB TYR 38 5.822 9.805 7.459 223 HB3 TYR 38 1HB TYR 38 5.655 8.307 6.546 224 HD1 TYR 38 2HD TYR 38 7.920 11.082 7.390 225 HD2 TYR 38 1HD TYR 38 7.530 7.368 5.347 226 HE1 TYR 38 2HE TYR 38 10.366 10.956 7.160 227 HE2 TYR 38 1HE TYR 38 9.973 7.234 5.113 228 HH TYR 38 HH TYR 38 12.081 8.841 6.852 229 H ALA 39 H ALA 39 4.349 7.889 4.605 230 HA ALA 39 HA ALA 39 6.106 7.104 2.587 231 HB1 ALA 39 1HB ALA 39 4.021 5.921 3.795 232 HB2 ALA 39 2HB ALA 39 4.738 5.329 2.298 233 HB3 ALA 39 3HB ALA 39 3.280 6.319 2.245 234 H ASN 40 H ASN 40 3.143 9.051 2.371 235 HA ASN 40 HA ASN 40 3.183 9.203 -0.480 236 HB2 ASN 40 2HB ASN 40 1.516 10.245 1.697 237 HB3 ASN 40 1HB ASN 40 1.670 11.347 0.332 238 HD21 ASN 40 1HD2 ASN 40 0.205 11.110 -1.183 239 HD22 ASN 40 2HD2 ASN 40 -0.639 9.652 -1.565 240 H SER 41 H SER 41 4.555 11.082 2.124 241 HA SER 41 HA SER 41 5.059 13.462 0.762 242 HB2 SER 41 2HB SER 41 6.293 12.116 3.133 243 HB3 SER 41 1HB SER 41 7.074 13.544 2.452 244 HG SER 41 HG SER 41 5.674 14.379 3.875 245 H ILE 42 H ILE 42 6.949 10.471 0.950 246 HA ILE 42 HA ILE 42 9.204 11.477 -0.458 247 HB ILE 42 HB ILE 42 8.366 8.585 -0.254 248 HG12 ILE 42 2HG1 ILE 42 8.439 9.656 1.980 249 HG13 ILE 42 1HG1 ILE 42 9.711 8.458 1.777 250 HG21 ILE 42 1HG2 ILE 42 10.900 10.003 -0.970 251 HG22 ILE 42 2HG2 ILE 42 10.092 8.671 -1.794 252 HG23 ILE 42 3HG2 ILE 42 10.951 8.379 -0.283 253 HD11 ILE 42 3HD1 ILE 42 11.291 10.296 1.282 254 HD12 ILE 42 1HD1 ILE 42 10.600 10.371 2.903 255 HD13 ILE 42 2HD1 ILE 42 10.004 11.446 1.638 256 H TRP 43 H TRP 43 6.495 9.386 -1.472 257 HA TRP 43 HA TRP 43 7.278 9.177 -4.169 258 HB2 TRP 43 2HB TRP 43 4.419 9.060 -3.209 259 HB3 TRP 43 1HB TRP 43 5.129 8.245 -4.598 260 HD1 TRP 43 HD TRP 43 3.571 6.834 -2.062 261 HE1 TRP 43 1HE TRP 43 4.779 4.922 -0.838 262 HE3 TRP 43 3HE TRP 43 8.384 7.836 -3.501 263 HZ2 TRP 43 2HZ TRP 43 7.408 3.960 -0.522 264 HZ3 TRP 43 3HZ TRP 43 10.182 6.369 -2.688 265 HH2 TRP 43 HH TRP 43 9.703 4.472 -1.229 266 H ASN 44 H ASN 44 5.414 11.606 -2.454 267 HA ASN 44 HA ASN 44 4.382 12.956 -4.728 268 HB2 ASN 44 2HB ASN 44 3.568 13.161 -2.331 269 HB3 ASN 44 1HB ASN 44 4.963 14.190 -2.034 270 HD21 ASN 44 1HD2 ASN 44 5.112 16.190 -3.160 271 HD22 ASN 44 2HD2 ASN 44 3.689 16.971 -3.747 272 H LYS 45 H LYS 45 7.384 13.201 -2.913 273 HA LYS 45 HA LYS 45 8.263 15.602 -4.224 274 HB2 LYS 45 2HB LYS 45 8.943 14.917 -1.901 275 HB3 LYS 45 1HB LYS 45 9.903 13.633 -2.622 276 HG2 LYS 45 2HG LYS 45 10.393 16.369 -3.626 277 HG3 LYS 45 1HG LYS 45 10.901 16.021 -1.972 278 HD2 LYS 45 2HD LYS 45 11.642 14.305 -4.338 279 HD3 LYS 45 1HD LYS 45 12.649 15.623 -3.740 280 HE2 LYS 45 2HE LYS 45 11.782 13.203 -2.159 281 HE3 LYS 45 1HE LYS 45 13.377 13.454 -2.863 282 HZ1 LYS 45 3HZ LYS 45 13.147 15.668 -1.420 283 HZ2 LYS 45 1HZ LYS 45 13.803 14.234 -0.804 284 HZ3 LYS 45 2HZ LYS 45 12.192 14.633 -0.482 285 H LEU 46 H LEU 46 8.689 12.143 -4.663 286 HA LEU 46 HA LEU 46 10.781 12.450 -6.605 287 HB2 LEU 46 2HB LEU 46 9.245 10.152 -5.488 288 HB3 LEU 46 1HB LEU 46 10.117 9.930 -6.991 289 HG LEU 46 HG LEU 46 11.314 10.729 -4.336 290 HD11 LEU 46 1HD1 LEU 46 11.086 8.497 -4.056 291 HD12 LEU 46 2HD1 LEU 46 12.555 8.463 -5.031 292 HD13 LEU 46 3HD1 LEU 46 10.987 8.178 -5.787 293 HD21 LEU 46 3HD2 LEU 46 12.467 10.569 -7.096 294 HD22 LEU 46 1HD2 LEU 46 13.473 10.238 -5.685 295 HD23 LEU 46 2HD2 LEU 46 12.691 11.809 -5.862 296 H ASN 47 H ASN 47 7.446 12.888 -6.754 297 HA ASN 47 HA ASN 47 5.921 13.024 -8.426 298 HB2 ASN 47 2HB ASN 47 7.599 14.688 -9.187 299 HB3 ASN 47 1HB ASN 47 8.393 13.429 -10.122 300 HD21 ASN 47 1HD2 ASN 47 5.086 14.664 -9.662 301 HD22 ASN 47 2HD2 ASN 47 4.700 14.730 -11.344 302 H VAL 48 H VAL 48 6.336 10.458 -7.746 303 HA VAL 48 HA VAL 48 6.416 9.028 -10.324 304 HB VAL 48 HB VAL 48 7.015 6.983 -8.956 305 HG11 VAL 48 1HG1 VAL 48 8.762 9.290 -9.541 306 HG12 VAL 48 2HG1 VAL 48 8.843 7.626 -10.117 307 HG13 VAL 48 3HG1 VAL 48 9.440 8.031 -8.509 308 HG21 VAL 48 3HG2 VAL 48 7.483 7.068 -6.746 309 HG22 VAL 48 1HG2 VAL 48 6.398 8.456 -6.792 310 HG23 VAL 48 2HG2 VAL 48 8.144 8.700 -6.835 311 H GLN 49 H GLN 49 4.084 10.258 -9.389 312 HA GLN 49 HA GLN 49 2.438 8.108 -8.270 313 HB2 GLN 49 2HB GLN 49 2.372 10.504 -7.393 314 HB3 GLN 49 1HB GLN 49 1.575 10.933 -8.899 315 HG2 GLN 49 2HG GLN 49 0.052 8.841 -8.055 316 HG3 GLN 49 1HG GLN 49 0.527 9.580 -6.527 317 HE21 GLN 49 1HE2 GLN 49 -0.449 11.417 -5.890 318 HE22 GLN 49 2HE2 GLN 49 -1.607 12.289 -6.828 319 H ASP 50 H ASP 50 3.479 7.989 -11.014 320 HA ASP 50 HA ASP 50 0.941 8.016 -12.511 321 HB2 ASP 50 2HB ASP 50 3.168 9.443 -13.167 322 HB3 ASP 50 1HB ASP 50 3.453 7.956 -14.064 323 H LYS 51 H LYS 51 4.087 6.365 -12.227 324 HA LYS 51 HA LYS 51 3.315 4.081 -13.723 325 HB2 LYS 51 2HB LYS 51 5.544 4.523 -11.734 326 HB3 LYS 51 1HB LYS 51 5.344 3.032 -12.644 327 HG2 LYS 51 2HG LYS 51 5.901 4.033 -14.656 328 HG3 LYS 51 1HG LYS 51 5.530 5.656 -14.071 329 HD2 LYS 51 2HD LYS 51 7.763 4.042 -12.877 330 HD3 LYS 51 1HD LYS 51 8.003 4.984 -14.350 331 HE2 LYS 51 2HE LYS 51 6.808 6.832 -12.788 332 HE3 LYS 51 1HE LYS 51 7.632 5.873 -11.558 333 HZ1 LYS 51 3HZ LYS 51 8.977 7.735 -12.398 334 HZ2 LYS 51 1HZ LYS 51 8.960 7.046 -13.944 335 HZ3 LYS 51 2HZ LYS 51 9.716 6.237 -12.664 336 H VAL 52 H VAL 52 2.781 5.037 -10.433 337 HA VAL 52 HA VAL 52 1.791 2.338 -9.780 338 HB VAL 52 HB VAL 52 2.653 4.501 -7.847 339 HG11 VAL 52 1HG1 VAL 52 1.655 1.699 -7.482 340 HG12 VAL 52 2HG1 VAL 52 1.109 3.185 -6.705 341 HG13 VAL 52 3HG1 VAL 52 2.665 2.481 -6.267 342 HG21 VAL 52 3HG2 VAL 52 4.739 3.638 -7.737 343 HG22 VAL 52 1HG2 VAL 52 4.376 3.123 -9.384 344 HG23 VAL 52 2HG2 VAL 52 4.192 1.990 -8.046 345 H PHE 53 H PHE 53 -0.193 2.238 -8.496 346 HA PHE 53 HA PHE 53 -1.918 4.581 -8.897 347 HB2 PHE 53 2HB PHE 53 -2.385 2.369 -10.193 348 HB3 PHE 53 1HB PHE 53 -2.983 1.781 -8.645 349 HD1 PHE 53 2HD PHE 53 -3.485 4.309 -11.287 350 HD2 PHE 53 1HD PHE 53 -5.096 2.459 -7.809 351 HE1 PHE 53 2HE PHE 53 -5.662 5.361 -11.741 352 HE2 PHE 53 1HE PHE 53 -7.276 3.505 -8.259 353 HZ PHE 53 HZ PHE 53 -7.562 4.957 -10.227 354 H VAL 54 H VAL 54 -2.200 5.564 -7.062 355 HA VAL 54 HA VAL 54 -2.172 4.115 -4.534 356 HB VAL 54 HB VAL 54 -0.845 6.156 -4.669 357 HG11 VAL 54 1HG1 VAL 54 -2.183 8.360 -4.662 358 HG12 VAL 54 2HG1 VAL 54 -3.461 7.410 -5.416 359 HG13 VAL 54 3HG1 VAL 54 -1.890 7.555 -6.202 360 HG21 VAL 54 3HG2 VAL 54 -2.446 5.419 -2.608 361 HG22 VAL 54 1HG2 VAL 54 -2.937 7.096 -2.837 362 HG23 VAL 54 2HG2 VAL 54 -1.245 6.706 -2.528 363 H PHE 55 H PHE 55 -3.859 3.994 -3.107 364 HA PHE 55 HA PHE 55 -6.455 5.053 -4.011 365 HB2 PHE 55 2HB PHE 55 -6.327 2.623 -4.433 366 HB3 PHE 55 1HB PHE 55 -5.975 2.353 -2.730 367 HD1 PHE 55 1HD PHE 55 -8.512 4.462 -4.495 368 HD2 PHE 55 2HD PHE 55 -7.756 1.317 -1.725 369 HE1 PHE 55 1HE PHE 55 -10.922 4.302 -4.021 370 HE2 PHE 55 2HE PHE 55 -10.164 1.153 -1.249 371 HZ PHE 55 HZ PHE 55 -11.750 2.645 -2.398 372 H ASP 56 H ASP 56 -6.832 6.673 -2.628 373 HA ASP 56 HA ASP 56 -6.027 6.557 0.130 374 HB2 ASP 56 2HB ASP 56 -6.415 8.619 -1.578 375 HB3 ASP 56 1HB ASP 56 -7.948 8.642 -0.712 376 H ILE 57 H ILE 57 -7.421 6.632 1.951 377 HA ILE 57 HA ILE 57 -10.070 5.436 1.455 378 HB ILE 57 HB ILE 57 -8.455 5.141 3.982 379 HG12 ILE 57 2HG1 ILE 57 -7.220 4.144 2.117 380 HG13 ILE 57 1HG1 ILE 57 -7.859 2.893 3.177 381 HG21 ILE 57 1HG2 ILE 57 -10.020 3.571 4.667 382 HG22 ILE 57 2HG2 ILE 57 -10.630 3.315 3.033 383 HG23 ILE 57 3HG2 ILE 57 -11.015 4.805 3.893 384 HD11 ILE 57 3HD1 ILE 57 -8.044 2.464 0.706 385 HD12 ILE 57 1HD1 ILE 57 -9.244 3.755 0.657 386 HD13 ILE 57 2HD1 ILE 57 -9.541 2.313 1.627 387 H GLY 58 H GLY 58 -10.641 7.789 1.201 388 HA2 GLY 58 2HA GLY 58 -11.279 8.935 3.849 389 HA3 GLY 58 1HA GLY 58 -10.816 9.930 2.481 390 H SER 59 H SER 59 -12.636 7.545 1.154 391 HA SER 59 HA SER 59 -15.077 9.175 1.319 392 HB2 SER 59 2HB SER 59 -14.300 9.073 -0.937 393 HB3 SER 59 1HB SER 59 -14.033 7.334 -0.838 394 HG SER 59 HG SER 59 -15.957 7.281 -1.710 395 H LEU 60 H LEU 60 -13.835 5.896 1.618 396 HA LEU 60 HA LEU 60 -16.309 4.550 1.821 397 HB2 LEU 60 2HB LEU 60 -13.777 3.702 3.206 398 HB3 LEU 60 1HB LEU 60 -15.083 2.685 2.634 399 HG LEU 60 HG LEU 60 -13.079 4.161 0.921 400 HD11 LEU 60 1HD1 LEU 60 -12.213 2.167 2.064 401 HD12 LEU 60 2HD1 LEU 60 -12.306 1.943 0.317 402 HD13 LEU 60 3HD1 LEU 60 -13.520 1.211 1.366 403 HD21 LEU 60 3HD2 LEU 60 -15.576 2.656 0.234 404 HD22 LEU 60 1HD2 LEU 60 -14.213 2.692 -0.883 405 HD23 LEU 60 2HD2 LEU 60 -14.992 4.197 -0.394 406 HA PRO 61 HA PRO 61 -17.647 6.142 5.787 407 HB2 PRO 61 2HB PRO 61 -19.539 3.871 5.630 408 HB3 PRO 61 1HB PRO 61 -19.871 5.597 5.799 409 HG2 PRO 61 2HG PRO 61 -20.342 4.326 3.505 410 HG3 PRO 61 1HG PRO 61 -19.710 5.983 3.517 411 HD2 PRO 61 2HD PRO 61 -18.259 3.402 3.046 412 HD3 PRO 61 1HD PRO 61 -18.091 4.958 2.206 413 H ARG 62 H ARG 62 -18.566 4.825 7.862 414 HA ARG 62 HA ARG 62 -16.301 3.327 8.802 415 HB2 ARG 62 2HB ARG 62 -18.887 4.139 10.131 416 HB3 ARG 62 1HB ARG 62 -17.601 3.265 10.955 417 HG2 ARG 62 2HG ARG 62 -16.332 5.097 11.187 418 HG3 ARG 62 1HG ARG 62 -16.717 5.693 9.572 419 HD2 ARG 62 2HD ARG 62 -18.872 5.764 11.614 420 HD3 ARG 62 1HD ARG 62 -17.547 6.910 11.794 421 HE ARG 62 HE ARG 62 -19.641 6.989 9.850 422 HH11 ARG 62 1HH1 ARG 62 -16.298 7.877 10.413 423 HH12 ARG 62 2HH1 ARG 62 -16.329 9.191 9.288 424 HH21 ARG 62 1HH2 ARG 62 -19.672 8.732 8.370 425 HH22 ARG 62 2HH2 ARG 62 -18.240 9.677 8.131 426 H ASN 63 H ASN 63 -18.604 2.265 6.844 427 HA ASN 63 HA ASN 63 -18.921 -0.324 8.210 428 HB2 ASN 63 2HB ASN 63 -21.036 0.937 7.653 429 HB3 ASN 63 1HB ASN 63 -20.632 0.730 5.951 430 HD21 ASN 63 1HD2 ASN 63 -21.910 -0.768 5.120 431 HD22 ASN 63 2HD2 ASN 63 -22.296 -2.285 5.847 432 H GLU 64 H GLU 64 -18.238 1.232 5.083 433 HA GLU 64 HA GLU 64 -17.659 -1.201 3.715 434 HB2 GLU 64 2HB GLU 64 -18.319 1.001 2.653 435 HB3 GLU 64 1HB GLU 64 -16.683 1.557 2.974 436 HG2 GLU 64 2HG GLU 64 -16.651 0.854 0.754 437 HG3 GLU 64 1HG GLU 64 -15.906 -0.470 1.649 438 H GLN 65 H GLN 65 -15.708 1.141 5.496 439 HA GLN 65 HA GLN 65 -13.162 0.327 4.717 440 HB2 GLN 65 2HB GLN 65 -14.277 1.673 7.136 441 HB3 GLN 65 1HB GLN 65 -12.622 1.086 7.197 442 HG2 GLN 65 2HG GLN 65 -12.376 2.378 4.950 443 HG3 GLN 65 1HG GLN 65 -13.811 3.234 5.512 444 HE21 GLN 65 1HE2 GLN 65 -13.571 4.847 6.926 445 HE22 GLN 65 2HE2 GLN 65 -12.096 5.252 7.730 446 H GLU 66 H GLU 66 -15.314 -1.006 7.181 447 HA GLU 66 HA GLU 66 -13.495 -2.743 8.417 448 HB2 GLU 66 2HB GLU 66 -15.971 -2.096 9.014 449 HB3 GLU 66 1HB GLU 66 -16.362 -3.527 8.069 450 HG2 GLU 66 2HG GLU 66 -14.333 -4.362 9.764 451 HG3 GLU 66 1HG GLU 66 -15.333 -3.307 10.760 452 H LYS 67 H LYS 67 -15.768 -3.358 5.732 453 HA LYS 67 HA LYS 67 -15.123 -6.044 5.310 454 HB2 LYS 67 2HB LYS 67 -16.219 -3.895 3.517 455 HB3 LYS 67 1HB LYS 67 -15.850 -5.490 2.874 456 HG2 LYS 67 2HG LYS 67 -17.692 -5.003 5.203 457 HG3 LYS 67 1HG LYS 67 -18.226 -5.158 3.528 458 HD2 LYS 67 2HD LYS 67 -17.968 -7.392 3.526 459 HD3 LYS 67 1HD LYS 67 -16.467 -7.319 4.448 460 HE2 LYS 67 2HE LYS 67 -18.337 -6.546 6.296 461 HE3 LYS 67 1HE LYS 67 -19.213 -7.751 5.353 462 HZ1 LYS 67 3HZ LYS 67 -17.575 -9.373 5.836 463 HZ2 LYS 67 1HZ LYS 67 -17.959 -8.630 7.307 464 HZ3 LYS 67 2HZ LYS 67 -16.523 -8.233 6.508 465 H TRP 68 H TRP 68 -13.556 -3.101 4.163 466 HA TRP 68 HA TRP 68 -11.802 -4.365 2.320 467 HB2 TRP 68 2HB TRP 68 -12.403 -1.732 3.034 468 HB3 TRP 68 1HB TRP 68 -10.714 -1.935 3.488 469 HD1 TRP 68 HD TRP 68 -8.965 -2.477 1.497 470 HE1 TRP 68 1HE TRP 68 -9.077 -1.997 -1.030 471 HE3 TRP 68 3HE TRP 68 -13.984 -1.580 1.056 472 HZ2 TRP 68 2HZ TRP 68 -11.029 -1.328 -2.954 473 HZ3 TRP 68 3HZ TRP 68 -14.889 -1.027 -1.165 474 HH2 TRP 68 HH TRP 68 -13.442 -0.903 -3.127 475 H ARG 69 H ARG 69 -11.579 -3.574 5.754 476 HA ARG 69 HA ARG 69 -8.832 -4.168 6.082 477 HB2 ARG 69 2HB ARG 69 -10.293 -2.862 7.678 478 HB3 ARG 69 1HB ARG 69 -10.981 -4.395 8.196 479 HG2 ARG 69 2HG ARG 69 -9.390 -4.255 9.777 480 HG3 ARG 69 1HG ARG 69 -8.368 -4.941 8.514 481 HD2 ARG 69 2HD ARG 69 -7.321 -3.007 9.614 482 HD3 ARG 69 1HD ARG 69 -7.592 -2.731 7.896 483 HE ARG 69 HE ARG 69 -9.037 -1.035 8.428 484 HH11 ARG 69 1HH1 ARG 69 -8.435 -2.936 11.311 485 HH12 ARG 69 2HH1 ARG 69 -9.239 -1.821 12.363 486 HH21 ARG 69 1HH2 ARG 69 -10.090 0.433 9.826 487 HH22 ARG 69 2HH2 ARG 69 -10.176 0.091 11.520 488 H ILE 70 H ILE 70 -11.764 -6.133 6.590 489 HA ILE 70 HA ILE 70 -10.383 -8.448 7.474 490 HB ILE 70 HB ILE 70 -13.107 -8.403 6.169 491 HG12 ILE 70 2HG1 ILE 70 -13.020 -6.760 7.999 492 HG13 ILE 70 1HG1 ILE 70 -14.029 -8.134 8.432 493 HG21 ILE 70 1HG2 ILE 70 -13.437 -10.505 6.981 494 HG22 ILE 70 2HG2 ILE 70 -12.374 -10.259 8.366 495 HG23 ILE 70 3HG2 ILE 70 -11.688 -10.568 6.771 496 HD11 ILE 70 3HD1 ILE 70 -11.905 -7.044 9.880 497 HD12 ILE 70 1HD1 ILE 70 -11.329 -8.597 9.273 498 HD13 ILE 70 2HD1 ILE 70 -12.808 -8.519 10.233 499 H ALA 71 H ALA 71 -11.668 -7.512 4.284 500 HA ALA 71 HA ALA 71 -11.062 -9.877 2.923 501 HB1 ALA 71 1HB ALA 71 -11.261 -8.609 0.882 502 HB2 ALA 71 2HB ALA 71 -11.049 -7.094 1.760 503 HB3 ALA 71 3HB ALA 71 -12.492 -8.071 2.024 504 H PHE 72 H PHE 72 -9.136 -6.870 3.110 505 HA PHE 72 HA PHE 72 -6.920 -7.913 1.700 506 HB2 PHE 72 2HB PHE 72 -7.537 -5.464 3.194 507 HB3 PHE 72 1HB PHE 72 -5.838 -5.919 3.231 508 HD1 PHE 72 2HD PHE 72 -8.646 -4.971 1.050 509 HD2 PHE 72 1HD PHE 72 -4.470 -5.765 1.285 510 HE1 PHE 72 2HE PHE 72 -8.337 -4.001 -1.191 511 HE2 PHE 72 1HE PHE 72 -4.156 -4.797 -0.954 512 HZ PHE 72 HZ PHE 72 -6.091 -3.915 -2.195 513 H GLN 73 H GLN 73 -7.838 -8.064 5.076 514 HA GLN 73 HA GLN 73 -5.376 -8.641 6.256 515 HB2 GLN 73 2HB GLN 73 -8.182 -8.921 6.965 516 HB3 GLN 73 1HB GLN 73 -7.218 -10.247 7.601 517 HG2 GLN 73 2HG GLN 73 -5.717 -8.637 8.669 518 HG3 GLN 73 1HG GLN 73 -6.705 -7.315 8.050 519 HE21 GLN 73 1HE2 GLN 73 -6.153 -9.309 10.648 520 HE22 GLN 73 2HE2 GLN 73 -7.639 -9.071 11.495 521 H LYS 74 H LYS 74 -7.680 -10.760 4.611 522 HA LYS 74 HA LYS 74 -6.168 -13.147 5.126 523 HB2 LYS 74 2HB LYS 74 -8.765 -12.567 4.373 524 HB3 LYS 74 1HB LYS 74 -8.071 -13.269 2.925 525 HG2 LYS 74 2HG LYS 74 -8.276 -15.305 3.767 526 HG3 LYS 74 1HG LYS 74 -7.315 -14.854 5.177 527 HD2 LYS 74 2HD LYS 74 -9.353 -15.544 6.087 528 HD3 LYS 74 1HD LYS 74 -9.483 -13.785 6.059 529 HE2 LYS 74 2HE LYS 74 -10.529 -15.509 3.829 530 HE3 LYS 74 1HE LYS 74 -11.501 -15.121 5.246 531 HZ1 LYS 74 3HZ LYS 74 -12.072 -13.495 3.718 532 HZ2 LYS 74 1HZ LYS 74 -10.490 -13.305 3.151 533 HZ3 LYS 74 2HZ LYS 74 -10.921 -12.706 4.673 534 H VAL 75 H VAL 75 -6.312 -10.749 2.588 535 HA VAL 75 HA VAL 75 -5.030 -12.313 0.575 536 HB VAL 75 HB VAL 75 -5.159 -9.297 0.757 537 HG11 VAL 75 1HG1 VAL 75 -5.196 -9.823 -1.865 538 HG12 VAL 75 2HG1 VAL 75 -4.258 -11.210 -1.312 539 HG13 VAL 75 3HG1 VAL 75 -3.704 -9.573 -0.958 540 HG21 VAL 75 3HG2 VAL 75 -7.363 -9.520 0.525 541 HG22 VAL 75 1HG2 VAL 75 -7.234 -11.256 0.251 542 HG23 VAL 75 2HG2 VAL 75 -7.039 -10.136 -1.095 543 H VAL 76 H VAL 76 -3.917 -9.777 2.807 544 HA VAL 76 HA VAL 76 -1.248 -10.931 2.702 545 HB VAL 76 HB VAL 76 -0.211 -8.641 2.535 546 HG11 VAL 76 1HG1 VAL 76 -1.733 -9.682 0.150 547 HG12 VAL 76 2HG1 VAL 76 -0.129 -10.189 0.681 548 HG13 VAL 76 3HG1 VAL 76 -0.382 -8.550 0.080 549 HG21 VAL 76 3HG2 VAL 76 -3.057 -7.932 2.092 550 HG22 VAL 76 1HG2 VAL 76 -1.850 -7.107 1.105 551 HG23 VAL 76 2HG2 VAL 76 -1.763 -7.014 2.863 552 H GLY 77 H GLY 77 -3.387 -8.520 4.193 553 HA2 GLY 77 2HA GLY 77 -3.623 -8.837 6.665 554 HA3 GLY 77 1HA GLY 77 -1.867 -8.863 6.707 555 H SER 78 H SER 78 -4.470 -6.798 5.424 556 HA SER 78 HA SER 78 -2.874 -4.438 6.067 557 HB2 SER 78 2HB SER 78 -5.463 -4.639 4.506 558 HB3 SER 78 1HB SER 78 -4.458 -3.201 4.671 559 HG SER 78 HG SER 78 -3.835 -5.617 3.328 560 H ARG 79 H ARG 79 -3.783 -5.738 8.295 561 HA ARG 79 HA ARG 79 -6.278 -4.701 9.231 562 HB2 ARG 79 2HB ARG 79 -5.628 -5.639 11.398 563 HB3 ARG 79 1HB ARG 79 -5.363 -6.802 10.106 564 HG2 ARG 79 2HG ARG 79 -2.957 -6.150 10.107 565 HG3 ARG 79 1HG ARG 79 -3.283 -5.148 11.523 566 HD2 ARG 79 2HD ARG 79 -3.003 -6.925 12.820 567 HD3 ARG 79 1HD ARG 79 -4.387 -7.692 12.043 568 HE ARG 79 HE ARG 79 -2.287 -8.138 10.343 569 HH11 ARG 79 1HH1 ARG 79 -2.940 -8.845 13.711 570 HH12 ARG 79 2HH1 ARG 79 -1.956 -10.269 13.728 571 HH21 ARG 79 1HH2 ARG 79 -0.997 -10.019 10.374 572 HH22 ARG 79 2HH2 ARG 79 -0.855 -10.935 11.836 573 H ASN 80 H ASN 80 -3.125 -3.421 8.950 574 HA ASN 80 HA ASN 80 -3.923 -1.064 10.498 575 HB2 ASN 80 2HB ASN 80 -2.453 -2.576 11.901 576 HB3 ASN 80 1HB ASN 80 -1.165 -2.278 10.741 577 HD21 ASN 80 1HD2 ASN 80 -0.269 -0.188 10.593 578 HD22 ASN 80 2HD2 ASN 80 -0.443 0.954 11.877 579 H LEU 81 H LEU 81 -3.736 0.688 9.244 580 HA LEU 81 HA LEU 81 -2.226 0.576 6.779 581 HB2 LEU 81 2HB LEU 81 -3.831 2.824 8.005 582 HB3 LEU 81 1HB LEU 81 -3.128 2.853 6.400 583 HG LEU 81 HG LEU 81 -5.204 0.842 7.269 584 HD11 LEU 81 1HD1 LEU 81 -5.554 3.442 5.785 585 HD12 LEU 81 2HD1 LEU 81 -6.170 3.055 7.393 586 HD13 LEU 81 3HD1 LEU 81 -6.795 2.203 5.981 587 HD21 LEU 81 3HD2 LEU 81 -3.499 0.658 5.193 588 HD22 LEU 81 1HD2 LEU 81 -4.803 1.579 4.441 589 HD23 LEU 81 2HD2 LEU 81 -5.139 0.010 5.170 590 HA PRO 82 HA PRO 82 -1.544 2.417 5.361 591 HB2 PRO 82 2HB PRO 82 1.227 2.551 4.518 592 HB3 PRO 82 1HB PRO 82 -0.051 3.751 4.317 593 HG2 PRO 82 2HG PRO 82 2.098 4.104 5.957 594 HG3 PRO 82 1HG PRO 82 0.524 4.869 6.227 595 HD2 PRO 82 2HD PRO 82 1.702 2.446 7.532 596 HD3 PRO 82 1HD PRO 82 0.757 3.767 8.250 597 H THR 83 H THR 83 -0.833 1.103 3.389 598 HA THR 83 HA THR 83 0.593 -1.351 4.014 599 HB THR 83 HB THR 83 -1.494 -2.553 2.868 600 HG1 THR 83 1HG THR 83 -3.346 -1.560 3.154 601 HG21 THR 83 3HG2 THR 83 -1.518 -3.610 4.800 602 HG22 THR 83 1HG2 THR 83 -2.350 -2.245 5.547 603 HG23 THR 83 2HG2 THR 83 -0.589 -2.304 5.535 604 H ILE 84 H ILE 84 1.999 -1.532 2.393 605 HA ILE 84 HA ILE 84 1.228 -0.615 -0.290 606 HB ILE 84 HB ILE 84 3.994 -1.332 0.681 607 HG12 ILE 84 2HG1 ILE 84 3.413 1.501 0.187 608 HG13 ILE 84 1HG1 ILE 84 2.531 0.832 1.555 609 HG21 ILE 84 1HG2 ILE 84 4.808 -0.363 -1.305 610 HG22 ILE 84 2HG2 ILE 84 3.244 0.354 -1.690 611 HG23 ILE 84 3HG2 ILE 84 3.463 -1.392 -1.795 612 HD11 ILE 84 3HD1 ILE 84 4.553 0.197 2.640 613 HD12 ILE 84 1HD1 ILE 84 4.715 1.878 2.129 614 HD13 ILE 84 2HD1 ILE 84 5.506 0.598 1.212 615 H VAL 85 H VAL 85 0.704 -2.071 -1.793 616 HA VAL 85 HA VAL 85 1.761 -4.813 -1.528 617 HB VAL 85 HB VAL 85 -0.280 -5.517 -2.864 618 HG11 VAL 85 1HG1 VAL 85 -1.048 -4.395 -0.193 619 HG12 VAL 85 2HG1 VAL 85 0.110 -5.719 -0.334 620 HG13 VAL 85 3HG1 VAL 85 -1.534 -5.916 -0.943 621 HG21 VAL 85 3HG2 VAL 85 -1.247 -2.783 -2.030 622 HG22 VAL 85 1HG2 VAL 85 -2.258 -4.060 -2.703 623 HG23 VAL 85 2HG2 VAL 85 -0.979 -3.342 -3.680 624 H VAL 86 H VAL 86 3.109 -5.408 -3.085 625 HA VAL 86 HA VAL 86 2.870 -4.148 -5.746 626 HB VAL 86 HB VAL 86 5.459 -5.030 -4.460 627 HG11 VAL 86 1HG1 VAL 86 6.183 -3.319 -6.391 628 HG12 VAL 86 2HG1 VAL 86 4.705 -3.957 -7.110 629 HG13 VAL 86 3HG1 VAL 86 6.009 -5.053 -6.654 630 HG21 VAL 86 3HG2 VAL 86 4.521 -2.192 -4.839 631 HG22 VAL 86 1HG2 VAL 86 5.970 -2.750 -4.002 632 HG23 VAL 86 2HG2 VAL 86 4.378 -3.073 -3.317 633 H ASN 87 H ASN 87 2.418 -5.566 -7.301 634 HA ASN 87 HA ASN 87 2.276 -7.476 -8.521 635 HB2 ASN 87 2HB ASN 87 4.848 -7.361 -8.003 636 HB3 ASN 87 1HB ASN 87 4.505 -8.738 -6.962 637 HD21 ASN 87 1HD2 ASN 87 3.566 -7.655 -10.222 638 HD22 ASN 87 2HD2 ASN 87 3.882 -9.169 -10.991 639 H GLY 88 H GLY 88 0.604 -7.236 -6.286 640 HA2 GLY 88 2HA GLY 88 -0.874 -8.481 -5.049 641 HA3 GLY 88 1HA GLY 88 -0.388 -9.846 -6.038 642 H LYS 89 H LYS 89 1.356 -7.879 -3.648 643 HA LYS 89 HA LYS 89 1.370 -9.815 -1.619 644 HB2 LYS 89 2HB LYS 89 3.829 -10.390 -1.752 645 HB3 LYS 89 1HB LYS 89 2.803 -11.159 -2.954 646 HG2 LYS 89 2HG LYS 89 3.536 -9.602 -4.642 647 HG3 LYS 89 1HG LYS 89 4.468 -8.699 -3.449 648 HD2 LYS 89 2HD LYS 89 4.980 -11.611 -3.957 649 HD3 LYS 89 1HD LYS 89 5.713 -10.360 -4.961 650 HE2 LYS 89 2HE LYS 89 6.099 -9.571 -2.288 651 HE3 LYS 89 1HE LYS 89 6.492 -11.288 -2.363 652 HZ1 LYS 89 3HZ LYS 89 7.999 -10.809 -4.204 653 HZ2 LYS 89 1HZ LYS 89 8.431 -9.944 -2.817 654 HZ3 LYS 89 2HZ LYS 89 7.640 -9.160 -4.090 655 H PHE 90 H PHE 90 2.006 -8.919 0.249 656 HA PHE 90 HA PHE 90 2.425 -6.151 0.440 657 HB2 PHE 90 2HB PHE 90 1.634 -8.012 2.194 658 HB3 PHE 90 1HB PHE 90 3.316 -7.880 2.691 659 HD1 PHE 90 1HD PHE 90 0.856 -5.323 1.529 660 HD2 PHE 90 2HD PHE 90 3.394 -6.698 4.657 661 HE1 PHE 90 1HE PHE 90 0.306 -3.328 2.850 662 HE2 PHE 90 2HE PHE 90 2.843 -4.702 5.983 663 HZ PHE 90 HZ PHE 90 1.299 -3.013 5.082 664 H TRP 91 H TRP 91 4.166 -5.227 -0.445 665 HA TRP 91 HA TRP 91 6.803 -6.407 0.067 666 HB2 TRP 91 2HB TRP 91 6.092 -5.897 -2.302 667 HB3 TRP 91 1HB TRP 91 6.150 -4.189 -1.877 668 HD1 TRP 91 HD TRP 91 8.271 -3.194 -2.896 669 HE1 TRP 91 1HE TRP 91 10.739 -3.896 -3.074 670 HE3 TRP 91 3HE TRP 91 7.970 -7.826 -0.734 671 HZ2 TRP 91 2HZ TRP 91 12.348 -6.112 -2.391 672 HZ3 TRP 91 3HZ TRP 91 10.022 -9.168 -0.535 673 HH2 TRP 91 HH TRP 91 12.166 -8.328 -1.348 674 H GLY 92 H GLY 92 4.844 -3.584 0.730 675 HA2 GLY 92 2HA GLY 92 7.143 -2.447 2.210 676 HA3 GLY 92 1HA GLY 92 5.954 -1.449 1.397 677 H THR 93 H THR 93 6.862 -1.749 4.277 678 HA THR 93 HA THR 93 4.165 -2.023 5.431 679 HB THR 93 HB THR 93 6.457 -2.594 7.207 680 HG1 THR 93 1HG THR 93 7.227 -3.855 5.636 681 HG21 THR 93 3HG2 THR 93 3.693 -3.048 7.231 682 HG22 THR 93 1HG2 THR 93 4.888 -3.530 8.437 683 HG23 THR 93 2HG2 THR 93 4.464 -4.630 7.125 684 H GLU 94 H GLU 94 4.117 -0.973 7.712 685 HA GLU 94 HA GLU 94 4.791 1.776 7.394 686 HB2 GLU 94 2HB GLU 94 3.812 2.087 9.619 687 HB3 GLU 94 1HB GLU 94 2.770 1.119 8.589 688 HG2 GLU 94 2HG GLU 94 2.756 -0.527 10.067 689 HG3 GLU 94 1HG GLU 94 4.517 -0.600 10.074 690 H SER 95 H SER 95 6.366 -0.920 8.937 691 HA SER 95 HA SER 95 8.197 0.839 10.383 692 HB2 SER 95 2HB SER 95 7.123 -1.550 11.111 693 HB3 SER 95 1HB SER 95 8.675 -2.076 10.458 694 HG SER 95 HG SER 95 8.169 -0.300 12.595 695 H GLN 96 H GLN 96 8.122 -1.243 7.561 696 HA GLN 96 HA GLN 96 10.848 -1.660 7.178 697 HB2 GLN 96 2HB GLN 96 9.027 -2.737 5.876 698 HB3 GLN 96 1HB GLN 96 8.772 -1.217 5.030 699 HG2 GLN 96 2HG GLN 96 11.288 -1.429 4.429 700 HG3 GLN 96 1HG GLN 96 11.055 -3.126 4.844 701 HE21 GLN 96 1HE2 GLN 96 10.379 -4.423 3.281 702 HE22 GLN 96 2HE2 GLN 96 9.614 -3.924 1.813 703 H LEU 97 H LEU 97 8.884 1.180 6.482 704 HA LEU 97 HA LEU 97 10.701 2.548 4.823 705 HB2 LEU 97 2HB LEU 97 8.884 3.948 6.765 706 HB3 LEU 97 1HB LEU 97 9.410 4.486 5.182 707 HG LEU 97 HG LEU 97 7.860 2.000 5.120 708 HD11 LEU 97 1HD1 LEU 97 5.699 3.161 5.489 709 HD12 LEU 97 2HD1 LEU 97 6.593 4.547 6.113 710 HD13 LEU 97 3HD1 LEU 97 6.673 2.997 6.949 711 HD21 LEU 97 3HD2 LEU 97 8.436 3.147 3.093 712 HD22 LEU 97 1HD2 LEU 97 7.727 4.649 3.686 713 HD23 LEU 97 2HD2 LEU 97 6.691 3.268 3.323 714 H HIS 98 H HIS 98 10.120 2.948 8.325 715 HA HIS 98 HA HIS 98 12.237 4.732 8.784 716 HB2 HIS 98 2HB HIS 98 10.224 3.777 10.323 717 HB3 HIS 98 1HB HIS 98 11.576 2.864 10.985 718 HD1 HIS 98 1HD HIS 98 13.237 4.121 12.445 719 HD2 HIS 98 2HD HIS 98 10.427 6.606 10.656 720 HE1 HIS 98 1HE HIS 98 13.510 6.357 13.560 721 HE2 HIS 98 2HE HIS 98 11.890 7.874 12.372 722 H ARG 99 H ARG 99 12.162 1.214 8.654 723 HA ARG 99 HA ARG 99 14.780 0.844 9.727 724 HB2 ARG 99 2HB ARG 99 12.782 -0.905 8.352 725 HB3 ARG 99 1HB ARG 99 14.440 -1.463 8.504 726 HG2 ARG 99 2HG ARG 99 12.997 -0.470 10.917 727 HG3 ARG 99 1HG ARG 99 12.671 -2.091 10.301 728 HD2 ARG 99 2HD ARG 99 14.421 -2.736 11.531 729 HD3 ARG 99 1HD ARG 99 15.416 -1.980 10.285 730 HE ARG 99 HE ARG 99 14.849 0.069 11.965 731 HH11 ARG 99 1HH1 ARG 99 16.206 -3.126 12.470 732 HH12 ARG 99 2HH1 ARG 99 17.147 -2.641 13.838 733 HH21 ARG 99 1HH2 ARG 99 16.104 0.694 13.766 734 HH22 ARG 99 2HH2 ARG 99 17.090 -0.477 14.572 735 H PHE 100 H PHE 100 13.447 1.030 6.453 736 HA PHE 100 HA PHE 100 15.932 0.452 5.156 737 HB2 PHE 100 2HB PHE 100 13.198 1.202 4.311 738 HB3 PHE 100 1HB PHE 100 14.485 1.716 3.229 739 HD1 PHE 100 1HD PHE 100 13.591 -1.347 5.178 740 HD2 PHE 100 2HD PHE 100 14.946 0.299 1.494 741 HE1 PHE 100 1HE PHE 100 13.676 -3.604 4.204 742 HE2 PHE 100 2HE PHE 100 15.032 -1.955 0.515 743 HZ PHE 100 HZ PHE 100 14.397 -3.909 1.870 744 H GLU 101 H GLU 101 14.144 3.445 5.870 745 HA GLU 101 HA GLU 101 15.848 5.215 4.516 746 HB2 GLU 101 2HB GLU 101 13.521 5.600 5.680 747 HB3 GLU 101 1HB GLU 101 14.513 6.045 7.063 748 HG2 GLU 101 2HG GLU 101 15.363 7.324 4.590 749 HG3 GLU 101 1HG GLU 101 13.706 7.717 5.048 750 H ALA 102 H ALA 102 15.835 4.242 7.929 751 HA ALA 102 HA ALA 102 18.104 5.732 8.695 752 HB1 ALA 102 1HB ALA 102 18.137 4.289 10.690 753 HB2 ALA 102 2HB ALA 102 16.942 3.236 9.930 754 HB3 ALA 102 3HB ALA 102 16.521 4.900 10.332 755 H LYS 103 H LYS 103 17.746 2.462 7.397 756 HA LYS 103 HA LYS 103 20.475 1.724 7.819 757 HB2 LYS 103 2HB LYS 103 18.177 0.544 6.299 758 HB3 LYS 103 1HB LYS 103 19.799 -0.093 6.083 759 HG2 LYS 103 2HG LYS 103 18.946 0.212 8.875 760 HG3 LYS 103 1HG LYS 103 18.045 -0.975 7.931 761 HD2 LYS 103 2HD LYS 103 19.859 -2.129 8.930 762 HD3 LYS 103 1HD LYS 103 20.260 -1.936 7.224 763 HE2 LYS 103 2HE LYS 103 21.883 -0.345 7.649 764 HE3 LYS 103 1HE LYS 103 21.182 0.106 9.202 765 HZ1 LYS 103 3HZ LYS 103 23.340 -1.406 8.979 766 HZ2 LYS 103 1HZ LYS 103 22.168 -2.626 8.966 767 HZ3 LYS 103 2HZ LYS 103 22.256 -1.551 10.269 768 H GLY 104 H GLY 104 18.735 3.356 5.275 769 HA2 GLY 104 2HA GLY 104 19.710 4.642 3.575 770 HA3 GLY 104 1HA GLY 104 21.248 3.850 3.885 771 H THR 105 H THR 105 18.324 1.992 3.474 772 HA THR 105 HA THR 105 19.379 0.984 0.921 773 HB THR 105 HB THR 105 17.949 -1.033 1.416 774 HG1 THR 105 1HG THR 105 17.831 -0.000 4.047 775 HG21 THR 105 3HG2 THR 105 19.526 -1.247 3.746 776 HG22 THR 105 1HG2 THR 105 20.444 -0.323 2.559 777 HG23 THR 105 2HG2 THR 105 19.827 -1.922 2.146 778 H LEU 106 H LEU 106 16.949 2.968 2.112 779 HA LEU 106 HA LEU 106 14.671 2.250 0.681 780 HB2 LEU 106 2HB LEU 106 15.306 4.264 2.373 781 HB3 LEU 106 1HB LEU 106 15.277 5.142 0.856 782 HG LEU 106 HG LEU 106 12.981 3.460 1.862 783 HD11 LEU 106 1HD1 LEU 106 13.210 5.213 3.428 784 HD12 LEU 106 2HD1 LEU 106 11.934 5.709 2.318 785 HD13 LEU 106 3HD1 LEU 106 13.552 6.396 2.168 786 HD21 LEU 106 3HD2 LEU 106 13.096 5.560 -0.301 787 HD22 LEU 106 1HD2 LEU 106 11.688 4.609 0.173 788 HD23 LEU 106 2HD2 LEU 106 13.072 3.818 -0.578 789 H GLU 107 H GLU 107 17.327 4.421 -0.296 790 HA GLU 107 HA GLU 107 16.361 5.053 -2.845 791 HB2 GLU 107 2HB GLU 107 18.328 6.084 -1.541 792 HB3 GLU 107 1HB GLU 107 19.294 4.782 -2.221 793 HG2 GLU 107 2HG GLU 107 19.027 5.566 -4.405 794 HG3 GLU 107 1HG GLU 107 17.665 6.592 -3.965 795 H GLU 108 H GLU 108 18.405 2.366 -1.756 796 HA GLU 108 HA GLU 108 18.980 1.304 -4.302 797 HB2 GLU 108 2HB GLU 108 19.902 0.727 -1.875 798 HB3 GLU 108 1HB GLU 108 18.679 -0.533 -1.972 799 HG2 GLU 108 2HG GLU 108 19.894 -0.812 -4.377 800 HG3 GLU 108 1HG GLU 108 21.239 -0.270 -3.376 801 H GLU 109 H GLU 109 16.391 0.578 -1.979 802 HA GLU 109 HA GLU 109 15.159 -1.514 -3.346 803 HB2 GLU 109 2HB GLU 109 14.615 -0.819 -1.033 804 HB3 GLU 109 1HB GLU 109 13.826 0.619 -1.666 805 HG2 GLU 109 2HG GLU 109 12.533 -1.323 -3.042 806 HG3 GLU 109 1HG GLU 109 12.881 -2.154 -1.528 807 H LEU 110 H LEU 110 14.748 1.990 -3.714 808 HA LEU 110 HA LEU 110 12.562 1.997 -5.454 809 HB2 LEU 110 2HB LEU 110 14.649 3.882 -4.645 810 HB3 LEU 110 1HB LEU 110 14.097 4.142 -6.287 811 HG LEU 110 HG LEU 110 12.900 5.545 -4.661 812 HD11 LEU 110 1HD1 LEU 110 11.862 4.292 -6.787 813 HD12 LEU 110 2HD1 LEU 110 10.952 5.423 -5.786 814 HD13 LEU 110 3HD1 LEU 110 10.783 3.687 -5.530 815 HD21 LEU 110 3HD2 LEU 110 11.827 4.784 -2.824 816 HD22 LEU 110 1HD2 LEU 110 12.993 3.468 -2.965 817 HD23 LEU 110 2HD2 LEU 110 11.356 3.268 -3.592 818 H THR 111 H THR 111 16.047 1.868 -6.194 819 HA THR 111 HA THR 111 15.592 1.687 -9.032 820 HB THR 111 HB THR 111 18.148 1.101 -7.523 821 HG1 THR 111 1HG THR 111 18.612 3.337 -8.041 822 HG21 THR 111 3HG2 THR 111 17.812 2.163 -10.315 823 HG22 THR 111 1HG2 THR 111 18.086 0.463 -9.935 824 HG23 THR 111 2HG2 THR 111 19.304 1.668 -9.517 825 H LYS 112 H LYS 112 16.107 -0.546 -6.389 826 HA LYS 112 HA LYS 112 16.822 -2.847 -7.799 827 HB2 LYS 112 2HB LYS 112 16.847 -2.487 -5.301 828 HB3 LYS 112 1HB LYS 112 15.110 -2.758 -5.311 829 HG2 LYS 112 2HG LYS 112 15.347 -5.009 -5.871 830 HG3 LYS 112 1HG LYS 112 17.007 -4.789 -6.433 831 HD2 LYS 112 2HD LYS 112 17.265 -3.987 -3.872 832 HD3 LYS 112 1HD LYS 112 15.960 -5.162 -3.696 833 HE2 LYS 112 2HE LYS 112 17.307 -6.914 -4.141 834 HE3 LYS 112 1HE LYS 112 18.222 -6.033 -5.364 835 HZ1 LYS 112 3HZ LYS 112 19.592 -6.571 -3.448 836 HZ2 LYS 112 1HZ LYS 112 18.536 -5.730 -2.425 837 HZ3 LYS 112 2HZ LYS 112 19.420 -4.892 -3.601 838 H ILE 113 H ILE 113 13.629 -1.471 -7.114 839 HA ILE 113 HA ILE 113 12.223 -3.697 -8.282 840 HB ILE 113 HB ILE 113 10.192 -2.319 -8.026 841 HG12 ILE 113 2HG1 ILE 113 11.987 -0.246 -6.751 842 HG13 ILE 113 1HG1 ILE 113 11.383 -0.117 -8.400 843 HG21 ILE 113 1HG2 ILE 113 10.008 -2.803 -5.827 844 HG22 ILE 113 2HG2 ILE 113 11.522 -2.002 -5.405 845 HG23 ILE 113 3HG2 ILE 113 11.544 -3.617 -6.118 846 HD11 ILE 113 3HD1 ILE 113 9.226 0.272 -7.718 847 HD12 ILE 113 1HD1 ILE 113 10.156 1.084 -6.457 848 HD13 ILE 113 2HD1 ILE 113 9.464 -0.510 -6.155 849 H GLY 114 H GLY 114 13.545 -0.702 -9.439 850 HA2 GLY 114 2HA GLY 114 13.949 -0.394 -11.774 851 HA3 GLY 114 1HA GLY 114 12.517 -1.349 -12.116 852 H LEU 115 H LEU 115 12.408 1.122 -9.661 853 HA LEU 115 HA LEU 115 10.528 2.622 -11.325 854 HB2 LEU 115 2HB LEU 115 10.274 1.842 -8.787 855 HB3 LEU 115 1HB LEU 115 11.064 3.378 -8.502 856 HG LEU 115 HG LEU 115 9.096 4.132 -10.223 857 HD11 LEU 115 1HD1 LEU 115 7.068 3.030 -9.741 858 HD12 LEU 115 2HD1 LEU 115 7.797 2.095 -8.433 859 HD13 LEU 115 3HD1 LEU 115 8.231 1.756 -10.109 860 HD21 LEU 115 3HD2 LEU 115 9.645 5.259 -8.160 861 HD22 LEU 115 1HD2 LEU 115 8.976 3.930 -7.216 862 HD23 LEU 115 2HD2 LEU 115 7.914 4.931 -8.204 863 H LEU 116 H LEU 116 13.395 3.195 -9.289 864 HA LEU 116 HA LEU 116 13.758 5.809 -10.579 865 HB2 LEU 116 2HB LEU 116 13.842 5.148 -7.947 866 HB3 LEU 116 1HB LEU 116 15.539 5.014 -8.361 867 HG LEU 116 HG LEU 116 15.047 7.412 -9.443 868 HD11 LEU 116 1HD1 LEU 116 13.648 8.504 -7.458 869 HD12 LEU 116 2HD1 LEU 116 12.858 6.929 -7.509 870 HD13 LEU 116 3HD1 LEU 116 12.898 7.942 -8.953 871 HD21 LEU 116 3HD2 LEU 116 16.800 6.935 -7.845 872 HD22 LEU 116 1HD2 LEU 116 15.620 6.860 -6.535 873 HD23 LEU 116 2HD2 LEU 116 15.925 8.388 -7.361 874 HA PRO 117 HA PRO 117 17.002 3.649 -12.839 875 HB2 PRO 117 2HB PRO 117 17.352 5.485 -14.765 876 HB3 PRO 117 1HB PRO 117 15.924 4.444 -14.729 877 HG2 PRO 117 2HG PRO 117 16.227 7.282 -13.827 878 HG3 PRO 117 1HG PRO 117 14.906 6.541 -14.749 879 HD2 PRO 117 2HD PRO 117 14.822 7.013 -12.048 880 HD3 PRO 117 1HD PRO 117 13.885 5.743 -12.859
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