NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
461015 | 2dl4 | 11217 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -7.211 -13.604 -3.653 2 HA2 GLY 1 1HA GLY 1 -7.386 -12.870 -6.419 3 HA3 GLY 1 2HA GLY 1 -5.927 -13.325 -5.551 4 H SER 2 H SER 2 -8.230 -14.279 -7.830 5 HA SER 2 HA SER 2 -8.035 -17.100 -7.560 6 HB2 SER 2 1HB SER 2 -9.897 -16.065 -8.761 7 HB3 SER 2 2HB SER 2 -8.783 -15.418 -9.966 8 HG SER 2 HG SER 2 -8.223 -17.886 -10.028 9 H SER 3 H SER 3 -6.317 -18.317 -7.934 10 HA SER 3 HA SER 3 -4.273 -19.012 -8.666 11 HB2 SER 3 1HB SER 3 -5.844 -19.044 -10.775 12 HB3 SER 3 2HB SER 3 -4.808 -17.724 -11.318 13 HG SER 3 HG SER 3 -4.179 -19.964 -11.897 14 H GLY 4 H GLY 4 -4.150 -16.619 -7.281 15 HA2 GLY 4 1HA GLY 4 -2.925 -14.450 -8.464 16 HA3 GLY 4 2HA GLY 4 -2.615 -14.973 -6.815 17 H SER 5 H SER 5 -0.667 -13.748 -8.375 18 HA SER 5 HA SER 5 1.175 -15.984 -8.919 19 HB2 SER 5 1HB SER 5 0.775 -13.362 -10.307 20 HB3 SER 5 2HB SER 5 2.383 -14.086 -10.298 21 HG SER 5 HG SER 5 0.056 -14.924 -11.565 22 H SER 6 H SER 6 1.305 -12.508 -8.119 23 HA SER 6 HA SER 6 3.562 -13.096 -6.326 24 HB2 SER 6 1HB SER 6 2.763 -10.578 -7.787 25 HB3 SER 6 2HB SER 6 3.972 -10.588 -6.503 26 HG SER 6 HG SER 6 4.798 -12.465 -7.976 27 H GLY 7 H GLY 7 2.596 -13.577 -4.406 28 HA2 GLY 7 1HA GLY 7 0.485 -11.836 -3.386 29 HA3 GLY 7 2HA GLY 7 1.024 -13.347 -2.669 30 H ASN 8 H ASN 8 2.187 -10.048 -3.335 31 HA ASN 8 HA ASN 8 3.871 -10.209 -0.943 32 HB2 ASN 8 1HB ASN 8 3.802 -8.113 -3.126 33 HB3 ASN 8 2HB ASN 8 4.956 -8.179 -1.797 34 HD21 ASN 8 1HD2 ASN 8 3.774 -9.968 -4.595 35 HD22 ASN 8 2HD2 ASN 8 5.266 -10.770 -4.937 36 H THR 9 H THR 9 3.142 -9.397 0.897 37 HA THR 9 HA THR 9 0.960 -7.435 0.823 38 HB THR 9 HB THR 9 1.900 -8.868 3.296 39 HG1 THR 9 1HG THR 9 0.210 -9.807 1.220 40 HG21 THR 9 1HG2 THR 9 -0.876 -8.550 3.259 41 HG22 THR 9 2HG2 THR 9 -0.229 -7.043 2.610 42 HG23 THR 9 3HG2 THR 9 0.289 -7.614 4.196 43 H TYR 10 H TYR 10 1.060 -5.506 1.961 44 HA TYR 10 HA TYR 10 3.662 -4.797 3.133 45 HB2 TYR 10 1HB TYR 10 2.061 -3.198 1.134 46 HB3 TYR 10 2HB TYR 10 3.351 -2.503 2.109 47 HD1 TYR 10 2HD TYR 10 2.809 -5.474 -0.102 48 HD2 TYR 10 1HD TYR 10 5.422 -2.346 1.117 49 HE1 TYR 10 2HE TYR 10 4.458 -6.208 -1.773 50 HE2 TYR 10 1HE TYR 10 7.078 -3.071 -0.551 51 HH TYR 10 HH TYR 10 6.943 -4.383 -2.827 52 H VAL 11 H VAL 11 3.600 -3.511 4.925 53 HA VAL 11 HA VAL 11 0.919 -2.889 5.974 54 HB VAL 11 HB VAL 11 2.233 -4.503 7.314 55 HG11 VAL 11 1HG1 VAL 11 4.056 -2.507 8.410 56 HG12 VAL 11 2HG1 VAL 11 4.358 -4.178 7.932 57 HG13 VAL 11 3HG1 VAL 11 4.377 -2.896 6.721 58 HG21 VAL 11 1HG2 VAL 11 1.812 -3.491 9.444 59 HG22 VAL 11 2HG2 VAL 11 1.887 -1.873 8.748 60 HG23 VAL 11 3HG2 VAL 11 0.559 -2.953 8.326 61 H ALA 12 H ALA 12 0.407 -0.815 5.786 62 HA ALA 12 HA ALA 12 2.107 1.281 5.171 63 HB1 ALA 12 1HB ALA 12 -0.063 1.853 4.792 64 HB2 ALA 12 2HB ALA 12 -0.641 1.091 6.274 65 HB3 ALA 12 3HB ALA 12 0.171 2.655 6.345 66 H LEU 13 H LEU 13 3.583 2.379 6.280 67 HA LEU 13 HA LEU 13 3.988 1.843 9.080 68 HB2 LEU 13 1HB LEU 13 5.433 3.771 7.270 69 HB3 LEU 13 2HB LEU 13 5.969 3.226 8.858 70 HG LEU 13 HG LEU 13 5.563 1.251 6.645 71 HD11 LEU 13 1HD1 LEU 13 8.227 1.702 6.558 72 HD12 LEU 13 2HD1 LEU 13 7.624 3.340 6.809 73 HD13 LEU 13 3HD1 LEU 13 7.065 2.396 5.428 74 HD21 LEU 13 1HD2 LEU 13 6.035 0.037 8.499 75 HD22 LEU 13 2HD2 LEU 13 6.888 1.364 9.289 76 HD23 LEU 13 3HD2 LEU 13 7.691 0.424 8.030 77 H TYR 14 H TYR 14 3.100 4.654 7.111 78 HA TYR 14 HA TYR 14 2.075 5.931 9.557 79 HB2 TYR 14 1HB TYR 14 3.138 7.616 7.327 80 HB3 TYR 14 2HB TYR 14 3.007 7.986 9.043 81 HD1 TYR 14 2HD TYR 14 4.649 6.977 10.641 82 HD2 TYR 14 1HD TYR 14 5.114 6.668 6.423 83 HE1 TYR 14 2HE TYR 14 7.020 6.401 10.951 84 HE2 TYR 14 1HE TYR 14 7.486 6.089 6.721 85 HH TYR 14 HH TYR 14 8.792 5.100 9.572 86 H LYS 15 H LYS 15 0.469 7.685 9.049 87 HA LYS 15 HA LYS 15 -1.528 6.621 7.281 88 HB2 LYS 15 1HB LYS 15 -2.395 7.531 9.264 89 HB3 LYS 15 2HB LYS 15 -1.401 8.977 9.143 90 HG2 LYS 15 1HG LYS 15 -2.735 9.781 7.294 91 HG3 LYS 15 2HG LYS 15 -3.691 8.297 7.309 92 HD2 LYS 15 1HD LYS 15 -4.694 8.834 9.362 93 HD3 LYS 15 2HD LYS 15 -3.480 10.062 9.731 94 HE2 LYS 15 1HE LYS 15 -5.210 11.403 9.076 95 HE3 LYS 15 2HE LYS 15 -4.416 11.156 7.521 96 HZ1 LYS 15 1HZ LYS 15 -5.996 9.421 7.010 97 HZ2 LYS 15 2HZ LYS 15 -6.821 10.848 7.389 98 HZ3 LYS 15 3HZ LYS 15 -6.737 9.594 8.522 99 H PHE 16 H PHE 16 -2.148 7.337 5.314 100 HA PHE 16 HA PHE 16 -0.541 9.492 4.126 101 HB2 PHE 16 1HB PHE 16 -0.423 7.226 3.072 102 HB3 PHE 16 2HB PHE 16 -2.139 7.357 2.702 103 HD1 PHE 16 1HD PHE 16 1.216 8.550 1.886 104 HD2 PHE 16 2HD PHE 16 -2.930 8.844 0.972 105 HE1 PHE 16 1HE PHE 16 1.765 9.706 -0.216 106 HE2 PHE 16 2HE PHE 16 -2.389 9.999 -1.132 107 HZ PHE 16 HZ PHE 16 -0.039 10.431 -1.728 108 H VAL 17 H VAL 17 -1.502 11.163 2.990 109 HA VAL 17 HA VAL 17 -4.426 11.397 3.302 110 HB VAL 17 HB VAL 17 -2.367 13.604 3.446 111 HG11 VAL 17 1HG1 VAL 17 -5.139 13.677 2.751 112 HG12 VAL 17 2HG1 VAL 17 -4.901 14.493 4.297 113 HG13 VAL 17 3HG1 VAL 17 -3.989 15.008 2.877 114 HG21 VAL 17 1HG2 VAL 17 -4.211 13.213 5.681 115 HG22 VAL 17 2HG2 VAL 17 -3.110 11.860 5.419 116 HG23 VAL 17 3HG2 VAL 17 -2.468 13.481 5.682 117 HA PRO 18 HA PRO 18 -3.766 11.531 -1.204 118 HB2 PRO 18 1HB PRO 18 -6.273 10.677 -1.800 119 HB3 PRO 18 2HB PRO 18 -4.958 9.574 -1.378 120 HG2 PRO 18 1HG PRO 18 -7.177 10.619 0.338 121 HG3 PRO 18 2HG PRO 18 -6.522 8.975 0.235 122 HD2 PRO 18 1HD PRO 18 -5.851 10.688 2.222 123 HD3 PRO 18 2HD PRO 18 -4.724 9.470 1.590 124 H GLN 19 H GLN 19 -3.912 13.436 -2.193 125 HA GLN 19 HA GLN 19 -5.790 15.436 -1.341 126 HB2 GLN 19 1HB GLN 19 -3.602 16.181 -1.960 127 HB3 GLN 19 2HB GLN 19 -3.704 15.377 -3.521 128 HG2 GLN 19 1HG GLN 19 -4.138 17.501 -4.176 129 HG3 GLN 19 2HG GLN 19 -5.782 16.980 -3.811 130 HE21 GLN 19 1HE2 GLN 19 -3.608 19.395 -3.388 131 HE22 GLN 19 2HE2 GLN 19 -4.262 20.134 -1.970 132 H GLU 20 H GLU 20 -5.504 13.192 -4.005 133 HA GLU 20 HA GLU 20 -8.160 14.045 -4.930 134 HB2 GLU 20 1HB GLU 20 -5.818 13.339 -6.708 135 HB3 GLU 20 2HB GLU 20 -7.456 13.653 -7.264 136 HG2 GLU 20 1HG GLU 20 -5.924 15.692 -5.695 137 HG3 GLU 20 2HG GLU 20 -5.733 15.533 -7.440 138 H ASN 21 H ASN 21 -9.371 12.390 -6.043 139 HA ASN 21 HA ASN 21 -9.608 10.008 -4.785 140 HB2 ASN 21 1HB ASN 21 -10.208 10.796 -7.619 141 HB3 ASN 21 2HB ASN 21 -10.498 9.144 -7.081 142 HD21 ASN 21 1HD2 ASN 21 -12.524 8.818 -6.565 143 HD22 ASN 21 2HD2 ASN 21 -13.581 9.949 -5.797 144 H GLU 22 H GLU 22 -7.707 10.513 -7.757 145 HA GLU 22 HA GLU 22 -6.753 8.069 -8.319 146 HB2 GLU 22 1HB GLU 22 -5.001 10.525 -8.130 147 HB3 GLU 22 2HB GLU 22 -4.677 9.092 -9.096 148 HG2 GLU 22 1HG GLU 22 -6.945 11.031 -9.479 149 HG3 GLU 22 2HG GLU 22 -5.509 10.877 -10.489 150 H ASP 23 H ASP 23 -5.579 10.119 -5.682 151 HA ASP 23 HA ASP 23 -3.578 8.279 -4.819 152 HB2 ASP 23 1HB ASP 23 -4.878 10.586 -3.353 153 HB3 ASP 23 2HB ASP 23 -3.442 9.721 -2.813 154 H LEU 24 H LEU 24 -3.567 7.160 -2.753 155 HA LEU 24 HA LEU 24 -6.255 6.236 -1.975 156 HB2 LEU 24 1HB LEU 24 -5.370 4.348 -2.917 157 HB3 LEU 24 2HB LEU 24 -3.717 4.775 -2.480 158 HG LEU 24 HG LEU 24 -4.402 4.229 -0.076 159 HD11 LEU 24 1HD1 LEU 24 -6.624 3.946 0.129 160 HD12 LEU 24 2HD1 LEU 24 -6.262 2.301 -0.391 161 HD13 LEU 24 3HD1 LEU 24 -6.832 3.490 -1.562 162 HD21 LEU 24 1HD2 LEU 24 -3.924 2.343 -2.319 163 HD22 LEU 24 2HD2 LEU 24 -4.360 1.665 -0.750 164 HD23 LEU 24 3HD2 LEU 24 -2.935 2.694 -0.901 165 H GLU 25 H GLU 25 -6.727 6.028 0.181 166 HA GLU 25 HA GLU 25 -4.867 7.354 2.005 167 HB2 GLU 25 1HB GLU 25 -7.332 7.999 1.783 168 HB3 GLU 25 2HB GLU 25 -7.688 6.501 2.631 169 HG2 GLU 25 1HG GLU 25 -6.546 7.232 4.578 170 HG3 GLU 25 2HG GLU 25 -5.875 8.627 3.735 171 H MET 26 H MET 26 -3.931 6.381 3.727 172 HA MET 26 HA MET 26 -4.746 3.677 4.466 173 HB2 MET 26 1HB MET 26 -2.118 3.247 4.543 174 HB3 MET 26 2HB MET 26 -3.079 2.911 3.110 175 HG2 MET 26 1HG MET 26 -2.471 5.179 2.267 176 HG3 MET 26 2HG MET 26 -1.369 5.326 3.634 177 HE1 MET 26 1HE MET 26 1.472 4.936 1.694 178 HE2 MET 26 2HE MET 26 0.607 5.516 3.117 179 HE3 MET 26 3HE MET 26 1.491 3.991 3.183 180 H ARG 27 H ARG 27 -3.906 2.988 6.531 181 HA ARG 27 HA ARG 27 -2.991 5.227 8.214 182 HB2 ARG 27 1HB ARG 27 -4.516 4.742 9.858 183 HB3 ARG 27 2HB ARG 27 -5.445 4.273 8.441 184 HG2 ARG 27 1HG ARG 27 -4.945 1.958 8.804 185 HG3 ARG 27 2HG ARG 27 -3.830 2.361 10.111 186 HD2 ARG 27 1HD ARG 27 -5.578 3.058 11.525 187 HD3 ARG 27 2HD ARG 27 -6.733 3.127 10.195 188 HE ARG 27 HE ARG 27 -5.979 0.512 10.288 189 HH11 ARG 27 2HH1 ARG 27 -7.281 2.765 12.601 190 HH12 ARG 27 1HH1 ARG 27 -8.111 1.549 13.514 191 HH21 ARG 27 2HH2 ARG 27 -7.067 -1.098 11.482 192 HH22 ARG 27 1HH2 ARG 27 -7.988 -0.648 12.877 193 HA PRO 28 HA PRO 28 0.331 2.704 9.577 194 HB2 PRO 28 1HB PRO 28 0.610 3.524 12.149 195 HB3 PRO 28 2HB PRO 28 1.073 4.524 10.767 196 HG2 PRO 28 1HG PRO 28 -1.418 4.620 12.424 197 HG3 PRO 28 2HG PRO 28 -0.423 5.958 11.821 198 HD2 PRO 28 1HD PRO 28 -2.736 5.211 10.628 199 HD3 PRO 28 2HD PRO 28 -1.365 5.878 9.719 200 H GLY 29 H GLY 29 -0.549 0.615 9.511 201 HA2 GLY 29 1HA GLY 29 -0.445 -1.197 11.298 202 HA3 GLY 29 2HA GLY 29 -1.796 -0.329 12.013 203 H ASP 30 H ASP 30 -1.927 -0.172 8.666 204 HA ASP 30 HA ASP 30 -4.017 -2.228 8.630 205 HB2 ASP 30 1HB ASP 30 -3.532 0.287 7.116 206 HB3 ASP 30 2HB ASP 30 -4.349 -1.021 6.265 207 H ILE 31 H ILE 31 -4.254 -3.413 6.502 208 HA ILE 31 HA ILE 31 -1.588 -4.253 5.570 209 HB ILE 31 HB ILE 31 -4.113 -5.906 5.558 210 HG12 ILE 31 1HG1 ILE 31 -3.289 -5.365 7.857 211 HG13 ILE 31 2HG1 ILE 31 -3.239 -7.082 7.473 212 HG21 ILE 31 1HG2 ILE 31 -2.537 -6.560 3.843 213 HG22 ILE 31 2HG2 ILE 31 -1.232 -6.617 5.027 214 HG23 ILE 31 3HG2 ILE 31 -2.561 -7.772 5.125 215 HD11 ILE 31 1HD1 ILE 31 -1.247 -6.371 8.670 216 HD12 ILE 31 2HD1 ILE 31 -0.849 -6.921 7.042 217 HD13 ILE 31 3HD1 ILE 31 -0.896 -5.195 7.403 218 H ILE 32 H ILE 32 -1.135 -3.603 3.582 219 HA ILE 32 HA ILE 32 -3.340 -3.181 1.684 220 HB ILE 32 HB ILE 32 -0.520 -2.103 1.635 221 HG12 ILE 32 1HG1 ILE 32 -2.067 0.075 1.699 222 HG13 ILE 32 2HG1 ILE 32 -3.154 -1.036 2.525 223 HG21 ILE 32 1HG2 ILE 32 -0.986 -2.225 -0.604 224 HG22 ILE 32 2HG2 ILE 32 -2.725 -2.063 -0.363 225 HG23 ILE 32 3HG2 ILE 32 -1.680 -0.650 -0.223 226 HD11 ILE 32 1HD1 ILE 32 -1.751 -1.274 4.329 227 HD12 ILE 32 2HD1 ILE 32 -0.317 -0.814 3.410 228 HD13 ILE 32 3HD1 ILE 32 -1.491 0.413 3.886 229 H THR 33 H THR 33 -3.434 -4.255 -0.218 230 HA THR 33 HA THR 33 -1.522 -6.439 -0.591 231 HB THR 33 HB THR 33 -4.131 -5.992 -2.049 232 HG1 THR 33 1HG THR 33 -4.373 -6.304 0.260 233 HG21 THR 33 1HG2 THR 33 -2.160 -7.582 -2.853 234 HG22 THR 33 2HG2 THR 33 -3.853 -8.054 -2.999 235 HG23 THR 33 3HG2 THR 33 -2.881 -8.661 -1.660 236 H LEU 34 H LEU 34 0.205 -5.804 -1.741 237 HA LEU 34 HA LEU 34 0.203 -3.765 -3.687 238 HB2 LEU 34 1HB LEU 34 2.165 -4.744 -2.374 239 HB3 LEU 34 2HB LEU 34 2.180 -6.023 -3.586 240 HG LEU 34 HG LEU 34 2.567 -4.296 -5.329 241 HD11 LEU 34 1HD1 LEU 34 3.588 -2.174 -3.861 242 HD12 LEU 34 2HD1 LEU 34 2.047 -2.545 -3.089 243 HD13 LEU 34 3HD1 LEU 34 2.105 -2.184 -4.814 244 HD21 LEU 34 1HD2 LEU 34 4.357 -5.542 -3.794 245 HD22 LEU 34 2HD2 LEU 34 4.745 -3.875 -3.368 246 HD23 LEU 34 3HD2 LEU 34 4.816 -4.395 -5.052 247 H LEU 35 H LEU 35 -0.827 -3.834 -5.566 248 HA LEU 35 HA LEU 35 -1.184 -6.405 -6.922 249 HB2 LEU 35 1HB LEU 35 -2.414 -3.777 -7.699 250 HB3 LEU 35 2HB LEU 35 -2.933 -5.399 -8.154 251 HG LEU 35 HG LEU 35 -3.067 -4.360 -5.330 252 HD11 LEU 35 1HD1 LEU 35 -4.703 -3.676 -7.602 253 HD12 LEU 35 2HD1 LEU 35 -4.752 -3.056 -5.952 254 HD13 LEU 35 3HD1 LEU 35 -5.645 -4.518 -6.371 255 HD21 LEU 35 1HD2 LEU 35 -4.954 -6.391 -6.216 256 HD22 LEU 35 2HD2 LEU 35 -3.916 -6.352 -4.790 257 HD23 LEU 35 3HD2 LEU 35 -3.273 -6.914 -6.334 258 H GLU 36 H GLU 36 -0.251 -3.054 -7.705 259 HA GLU 36 HA GLU 36 1.271 -4.110 -9.995 260 HB2 GLU 36 1HB GLU 36 -0.652 -2.370 -10.281 261 HB3 GLU 36 2HB GLU 36 0.537 -1.219 -9.689 262 HG2 GLU 36 1HG GLU 36 1.322 -3.013 -11.917 263 HG3 GLU 36 2HG GLU 36 0.209 -1.690 -12.261 264 H ASP 37 H ASP 37 3.405 -4.083 -9.832 265 HA ASP 37 HA ASP 37 4.663 -2.088 -8.067 266 HB2 ASP 37 1HB ASP 37 6.213 -3.690 -7.253 267 HB3 ASP 37 2HB ASP 37 4.631 -4.458 -7.147 268 H SER 38 H SER 38 4.200 -1.915 -10.906 269 HA SER 38 HA SER 38 6.574 -2.566 -12.334 270 HB2 SER 38 1HB SER 38 4.184 -2.074 -13.240 271 HB3 SER 38 2HB SER 38 4.686 -0.384 -13.178 272 HG SER 38 HG SER 38 6.169 -2.405 -14.500 273 H ASN 39 H ASN 39 5.402 0.328 -10.695 274 HA ASN 39 HA ASN 39 7.574 1.982 -11.557 275 HB2 ASN 39 1HB ASN 39 5.446 2.298 -9.442 276 HB3 ASN 39 2HB ASN 39 6.699 3.508 -9.704 277 HD21 ASN 39 1HD2 ASN 39 3.797 3.674 -10.032 278 HD22 ASN 39 2HD2 ASN 39 3.535 4.164 -11.668 279 H GLU 40 H GLU 40 8.613 3.255 -9.484 280 HA GLU 40 HA GLU 40 9.768 1.187 -7.737 281 HB2 GLU 40 1HB GLU 40 11.945 2.426 -7.912 282 HB3 GLU 40 2HB GLU 40 11.440 1.613 -9.386 283 HG2 GLU 40 1HG GLU 40 11.000 4.538 -8.845 284 HG3 GLU 40 2HG GLU 40 12.383 3.889 -9.724 285 H ASP 41 H ASP 41 9.182 4.644 -8.230 286 HA ASP 41 HA ASP 41 9.820 5.382 -5.550 287 HB2 ASP 41 1HB ASP 41 8.167 6.882 -7.593 288 HB3 ASP 41 2HB ASP 41 8.886 7.561 -6.136 289 H TRP 42 H TRP 42 6.739 5.019 -7.298 290 HA TRP 42 HA TRP 42 5.419 4.668 -4.686 291 HB2 TRP 42 1HB TRP 42 4.464 6.125 -7.145 292 HB3 TRP 42 2HB TRP 42 3.346 5.564 -5.904 293 HD1 TRP 42 HD TRP 42 6.771 7.344 -5.468 294 HE1 TRP 42 1HE TRP 42 6.393 9.432 -4.011 295 HE3 TRP 42 3HE TRP 42 1.696 7.047 -4.923 296 HZ2 TRP 42 2HZ TRP 42 4.231 10.775 -2.791 297 HZ3 TRP 42 3HZ TRP 42 0.550 8.772 -3.595 298 HH2 TRP 42 HH TRP 42 1.792 10.597 -2.552 299 H TRP 43 H TRP 43 3.898 3.048 -4.501 300 HA TRP 43 HA TRP 43 3.670 1.237 -6.816 301 HB2 TRP 43 1HB TRP 43 3.882 0.550 -3.879 302 HB3 TRP 43 2HB TRP 43 3.478 -0.615 -5.136 303 HD1 TRP 43 HD TRP 43 5.662 0.444 -7.288 304 HE1 TRP 43 1HE TRP 43 8.139 -0.130 -6.890 305 HE3 TRP 43 3HE TRP 43 5.475 -0.522 -2.271 306 HZ2 TRP 43 2HZ TRP 43 9.795 -0.893 -4.734 307 HZ3 TRP 43 3HZ TRP 43 7.550 -1.168 -1.116 308 HH2 TRP 43 HH TRP 43 9.664 -1.350 -2.325 309 H LYS 44 H LYS 44 1.712 -0.085 -6.865 310 HA LYS 44 HA LYS 44 -0.575 1.343 -5.678 311 HB2 LYS 44 1HB LYS 44 -0.393 1.402 -8.175 312 HB3 LYS 44 2HB LYS 44 -0.564 -0.349 -8.183 313 HG2 LYS 44 1HG LYS 44 -2.763 0.000 -6.974 314 HG3 LYS 44 2HG LYS 44 -2.592 1.711 -7.373 315 HD2 LYS 44 1HD LYS 44 -2.427 1.097 -9.764 316 HD3 LYS 44 2HD LYS 44 -2.708 -0.589 -9.323 317 HE2 LYS 44 1HE LYS 44 -4.906 -0.163 -8.643 318 HE3 LYS 44 2HE LYS 44 -4.628 1.574 -8.527 319 HZ1 LYS 44 1HZ LYS 44 -5.367 1.779 -10.587 320 HZ2 LYS 44 2HZ LYS 44 -5.592 0.108 -10.714 321 HZ3 LYS 44 3HZ LYS 44 -4.113 0.797 -11.158 322 H GLY 45 H GLY 45 -2.154 0.210 -4.618 323 HA2 GLY 45 1HA GLY 45 -1.995 -2.713 -4.572 324 HA3 GLY 45 2HA GLY 45 -1.784 -1.865 -3.048 325 H LYS 46 H LYS 46 -3.694 -3.303 -2.569 326 HA LYS 46 HA LYS 46 -6.151 -1.789 -3.121 327 HB2 LYS 46 1HB LYS 46 -6.251 -3.713 -4.573 328 HB3 LYS 46 2HB LYS 46 -5.819 -4.789 -3.251 329 HG2 LYS 46 1HG LYS 46 -7.912 -4.538 -2.219 330 HG3 LYS 46 2HG LYS 46 -8.316 -3.126 -3.198 331 HD2 LYS 46 1HD LYS 46 -9.539 -4.734 -4.279 332 HD3 LYS 46 2HD LYS 46 -8.025 -4.838 -5.180 333 HE2 LYS 46 1HE LYS 46 -8.596 -7.062 -4.695 334 HE3 LYS 46 2HE LYS 46 -7.351 -6.647 -3.518 335 HZ1 LYS 46 1HZ LYS 46 -9.828 -5.982 -2.417 336 HZ2 LYS 46 2HZ LYS 46 -8.755 -7.190 -1.916 337 HZ3 LYS 46 3HZ LYS 46 -9.964 -7.548 -3.044 338 H ILE 47 H ILE 47 -7.205 -1.243 -1.328 339 HA ILE 47 HA ILE 47 -6.484 -2.602 1.176 340 HB ILE 47 HB ILE 47 -7.702 0.126 0.735 341 HG12 ILE 47 1HG1 ILE 47 -4.953 -0.811 1.553 342 HG13 ILE 47 2HG1 ILE 47 -5.387 0.189 0.171 343 HG21 ILE 47 1HG2 ILE 47 -8.602 -0.719 2.762 344 HG22 ILE 47 2HG2 ILE 47 -7.041 -1.365 3.263 345 HG23 ILE 47 3HG2 ILE 47 -7.296 0.379 3.205 346 HD11 ILE 47 1HD1 ILE 47 -5.171 0.927 3.049 347 HD12 ILE 47 2HD1 ILE 47 -4.507 1.730 1.625 348 HD13 ILE 47 3HD1 ILE 47 -6.230 1.849 1.982 349 H GLN 48 H GLN 48 -8.225 -2.780 2.816 350 HA GLN 48 HA GLN 48 -10.231 -4.422 2.229 351 HB2 GLN 48 1HB GLN 48 -10.385 -2.112 4.169 352 HB3 GLN 48 2HB GLN 48 -11.543 -3.435 4.125 353 HG2 GLN 48 1HG GLN 48 -9.425 -4.928 4.381 354 HG3 GLN 48 2HG GLN 48 -8.691 -3.443 4.985 355 HE21 GLN 48 1HE2 GLN 48 -11.457 -5.591 5.429 356 HE22 GLN 48 2HE2 GLN 48 -11.628 -5.313 7.126 357 H ASP 49 H ASP 49 -11.154 -1.023 2.701 358 HA ASP 49 HA ASP 49 -13.055 -1.331 0.469 359 HB2 ASP 49 1HB ASP 49 -13.299 -0.002 3.135 360 HB3 ASP 49 2HB ASP 49 -14.197 0.665 1.774 361 H ARG 50 H ARG 50 -10.170 -0.206 0.825 362 HA ARG 50 HA ARG 50 -10.695 2.304 -0.626 363 HB2 ARG 50 1HB ARG 50 -8.659 1.703 1.501 364 HB3 ARG 50 2HB ARG 50 -8.390 2.988 0.332 365 HG2 ARG 50 1HG ARG 50 -10.818 3.700 1.117 366 HG3 ARG 50 2HG ARG 50 -10.325 2.827 2.569 367 HD2 ARG 50 1HD ARG 50 -9.532 4.896 3.099 368 HD3 ARG 50 2HD ARG 50 -8.128 4.267 2.239 369 HE ARG 50 HE ARG 50 -8.457 5.867 0.651 370 HH11 ARG 50 2HH1 ARG 50 -11.434 5.408 2.397 371 HH12 ARG 50 1HH1 ARG 50 -12.256 6.706 1.595 372 HH21 ARG 50 2HH2 ARG 50 -9.528 7.578 -0.411 373 HH22 ARG 50 1HH2 ARG 50 -11.171 7.939 -0.002 374 H ILE 51 H ILE 51 -9.160 2.877 -2.250 375 HA ILE 51 HA ILE 51 -7.125 0.973 -3.011 376 HB ILE 51 HB ILE 51 -9.382 1.497 -4.945 377 HG12 ILE 51 1HG1 ILE 51 -8.776 -0.998 -3.342 378 HG13 ILE 51 2HG1 ILE 51 -10.148 0.076 -3.091 379 HG21 ILE 51 1HG2 ILE 51 -8.299 -0.202 -6.306 380 HG22 ILE 51 2HG2 ILE 51 -7.183 1.118 -5.959 381 HG23 ILE 51 3HG2 ILE 51 -7.046 -0.406 -5.082 382 HD11 ILE 51 1HD1 ILE 51 -10.222 -0.671 -5.791 383 HD12 ILE 51 2HD1 ILE 51 -9.886 -2.138 -4.872 384 HD13 ILE 51 3HD1 ILE 51 -11.310 -1.169 -4.495 385 H GLY 52 H GLY 52 -5.752 1.745 -4.716 386 HA2 GLY 52 1HA GLY 52 -5.752 3.782 -6.367 387 HA3 GLY 52 2HA GLY 52 -5.752 4.672 -4.851 388 H PHE 53 H PHE 53 -3.723 5.521 -5.841 389 HA PHE 53 HA PHE 53 -1.452 3.696 -5.686 390 HB2 PHE 53 1HB PHE 53 -1.356 6.620 -6.416 391 HB3 PHE 53 2HB PHE 53 -0.188 5.362 -6.811 392 HD1 PHE 53 2HD PHE 53 -0.857 3.563 -8.440 393 HD2 PHE 53 1HD PHE 53 -3.148 7.100 -7.841 394 HE1 PHE 53 2HE PHE 53 -1.983 3.195 -10.596 395 HE2 PHE 53 1HE PHE 53 -4.279 6.737 -9.996 396 HZ PHE 53 HZ PHE 53 -3.696 4.783 -11.377 397 H PHE 54 H PHE 54 0.478 4.303 -4.495 398 HA PHE 54 HA PHE 54 0.325 6.320 -2.462 399 HB2 PHE 54 1HB PHE 54 0.469 4.793 -0.537 400 HB3 PHE 54 2HB PHE 54 -1.050 4.595 -1.405 401 HD1 PHE 54 2HD PHE 54 2.244 3.095 -0.742 402 HD2 PHE 54 1HD PHE 54 -1.609 2.545 -2.464 403 HE1 PHE 54 2HE PHE 54 2.687 0.685 -0.954 404 HE2 PHE 54 1HE PHE 54 -1.173 0.133 -2.678 405 HZ PHE 54 HZ PHE 54 0.978 -0.800 -1.924 406 HA PRO 55 HA PRO 55 4.693 6.059 -2.814 407 HB2 PRO 55 1HB PRO 55 5.462 6.990 -0.383 408 HB3 PRO 55 2HB PRO 55 4.781 8.031 -1.639 409 HG2 PRO 55 1HG PRO 55 3.443 6.819 0.749 410 HG3 PRO 55 2HG PRO 55 3.293 8.461 0.096 411 HD2 PRO 55 1HD PRO 55 1.444 6.536 -0.362 412 HD3 PRO 55 2HD PRO 55 1.812 7.807 -1.545 413 H ALA 56 H ALA 56 6.422 4.740 -2.337 414 HA ALA 56 HA ALA 56 5.826 2.333 -0.869 415 HB1 ALA 56 1HB ALA 56 7.851 3.212 -2.794 416 HB2 ALA 56 2HB ALA 56 8.450 2.104 -1.559 417 HB3 ALA 56 3HB ALA 56 7.092 1.634 -2.581 418 H ASN 57 H ASN 57 7.783 5.206 -0.419 419 HA ASN 57 HA ASN 57 9.377 4.297 1.711 420 HB2 ASN 57 1HB ASN 57 10.036 6.518 1.990 421 HB3 ASN 57 2HB ASN 57 9.552 6.471 0.297 422 HD21 ASN 57 1HD2 ASN 57 9.282 8.142 3.122 423 HD22 ASN 57 2HD2 ASN 57 7.850 9.046 2.782 424 H PHE 58 H PHE 58 6.074 4.691 1.573 425 HA PHE 58 HA PHE 58 5.775 5.422 4.384 426 HB2 PHE 58 1HB PHE 58 3.963 5.300 2.026 427 HB3 PHE 58 2HB PHE 58 3.246 5.036 3.612 428 HD1 PHE 58 2HD PHE 58 6.069 7.285 2.800 429 HD2 PHE 58 1HD PHE 58 1.959 6.976 3.860 430 HE1 PHE 58 2HE PHE 58 5.983 9.717 3.161 431 HE2 PHE 58 1HE PHE 58 1.865 9.407 4.222 432 HZ PHE 58 HZ PHE 58 3.879 10.782 3.874 433 H VAL 59 H VAL 59 5.443 2.692 2.228 434 HA VAL 59 HA VAL 59 4.501 1.025 4.460 435 HB VAL 59 HB VAL 59 3.833 -0.623 2.812 436 HG11 VAL 59 1HG1 VAL 59 2.890 2.188 2.513 437 HG12 VAL 59 2HG1 VAL 59 2.262 0.953 1.420 438 HG13 VAL 59 3HG1 VAL 59 2.051 0.780 3.163 439 HG21 VAL 59 1HG2 VAL 59 4.984 1.291 0.785 440 HG22 VAL 59 2HG2 VAL 59 5.582 -0.322 1.172 441 HG23 VAL 59 3HG2 VAL 59 4.011 -0.127 0.394 442 H GLN 60 H GLN 60 5.349 -1.293 4.350 443 HA GLN 60 HA GLN 60 8.130 -1.434 3.457 444 HB2 GLN 60 1HB GLN 60 8.171 -0.671 5.808 445 HB3 GLN 60 2HB GLN 60 7.255 -2.098 6.274 446 HG2 GLN 60 1HG GLN 60 9.438 -2.659 6.799 447 HG3 GLN 60 2HG GLN 60 9.182 -3.430 5.234 448 HE21 GLN 60 1HE2 GLN 60 10.401 -0.440 6.685 449 HE22 GLN 60 2HE2 GLN 60 11.662 -0.189 5.532 450 H ARG 61 H ARG 61 8.041 -3.098 2.088 451 HA ARG 61 HA ARG 61 6.277 -5.098 1.798 452 HB2 ARG 61 1HB ARG 61 8.203 -4.794 0.319 453 HB3 ARG 61 2HB ARG 61 9.277 -5.402 1.572 454 HG2 ARG 61 1HG ARG 61 8.522 -7.584 1.339 455 HG3 ARG 61 2HG ARG 61 7.027 -7.083 0.546 456 HD2 ARG 61 1HD ARG 61 8.285 -7.930 -1.210 457 HD3 ARG 61 2HD ARG 61 8.582 -6.195 -1.313 458 HE ARG 61 HE ARG 61 10.615 -7.064 0.235 459 HH11 ARG 61 2HH1 ARG 61 9.371 -8.087 -2.852 460 HH12 ARG 61 1HH1 ARG 61 10.907 -8.635 -3.436 461 HH21 ARG 61 2HH2 ARG 61 12.643 -7.783 -0.523 462 HH22 ARG 61 1HH2 ARG 61 12.767 -8.463 -2.110 463 H LEU 62 H LEU 62 5.582 -6.839 2.871 464 HA LEU 62 HA LEU 62 6.764 -7.434 5.457 465 HB2 LEU 62 1HB LEU 62 4.211 -8.117 4.078 466 HB3 LEU 62 2HB LEU 62 4.755 -9.122 5.420 467 HG LEU 62 HG LEU 62 4.515 -6.157 5.759 468 HD11 LEU 62 1HD1 LEU 62 2.318 -6.189 5.481 469 HD12 LEU 62 2HD1 LEU 62 2.193 -7.375 6.779 470 HD13 LEU 62 3HD1 LEU 62 2.356 -7.912 5.108 471 HD21 LEU 62 1HD2 LEU 62 4.375 -6.656 8.041 472 HD22 LEU 62 2HD2 LEU 62 5.610 -7.755 7.427 473 HD23 LEU 62 3HD2 LEU 62 3.978 -8.348 7.739 474 H SER 63 H SER 63 8.509 -8.711 5.369 475 HA SER 63 HA SER 63 8.878 -10.727 3.379 476 HB2 SER 63 1HB SER 63 10.706 -9.425 4.602 477 HB3 SER 63 2HB SER 63 10.417 -10.504 5.966 478 HG SER 63 HG SER 63 10.865 -12.258 4.513 479 H GLY 64 H GLY 64 8.311 -10.854 6.898 480 HA2 GLY 64 1HA GLY 64 6.426 -12.665 7.218 481 HA3 GLY 64 2HA GLY 64 7.732 -13.714 6.684 482 HA PRO 65 HA PRO 65 7.826 -13.163 11.347 483 HB2 PRO 65 1HB PRO 65 7.533 -15.792 11.958 484 HB3 PRO 65 2HB PRO 65 6.162 -14.697 11.744 485 HG2 PRO 65 1HG PRO 65 7.334 -16.663 9.815 486 HG3 PRO 65 2HG PRO 65 5.631 -16.324 10.170 487 HD2 PRO 65 1HD PRO 65 6.892 -15.324 7.992 488 HD3 PRO 65 2HD PRO 65 5.595 -14.449 8.830 489 H SER 66 H SER 66 10.005 -12.662 11.308 490 HA SER 66 HA SER 66 12.045 -14.385 10.404 491 HB2 SER 66 1HB SER 66 11.950 -11.900 12.062 492 HB3 SER 66 2HB SER 66 13.443 -12.838 12.039 493 HG SER 66 HG SER 66 13.441 -11.274 10.392 494 H SER 67 H SER 67 13.086 -16.030 11.341 495 HA SER 67 HA SER 67 13.259 -16.343 14.186 496 HB2 SER 67 1HB SER 67 12.077 -18.547 14.241 497 HB3 SER 67 2HB SER 67 11.004 -17.183 13.932 498 HG SER 67 HG SER 67 10.469 -18.136 12.151 499 H GLY 68 H GLY 68 14.520 -18.254 14.799 500 HA2 GLY 68 1HA GLY 68 16.829 -18.569 13.311 501 HA3 GLY 68 2HA GLY 68 16.282 -19.705 14.535 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -14.858 -11.849 -9.426 2 HA2 GLY 1 1HA GLY 1 -16.345 -13.741 -11.126 3 HA3 GLY 1 2HA GLY 1 -14.626 -13.490 -11.392 4 H SER 2 H SER 2 -13.652 -13.385 -8.832 5 HA SER 2 HA SER 2 -14.589 -15.415 -7.118 6 HB2 SER 2 1HB SER 2 -13.879 -16.875 -8.994 7 HB3 SER 2 2HB SER 2 -12.244 -16.229 -8.853 8 HG SER 2 HG SER 2 -13.384 -18.207 -7.463 9 H SER 3 H SER 3 -13.007 -15.934 -5.391 10 HA SER 3 HA SER 3 -11.541 -13.547 -4.688 11 HB2 SER 3 1HB SER 3 -11.231 -14.620 -2.515 12 HB3 SER 3 2HB SER 3 -12.917 -14.750 -3.016 13 HG SER 3 HG SER 3 -12.484 -16.886 -3.676 14 H GLY 4 H GLY 4 -9.364 -13.294 -4.567 15 HA2 GLY 4 1HA GLY 4 -7.361 -15.109 -4.306 16 HA3 GLY 4 2HA GLY 4 -7.740 -15.184 -6.020 17 H SER 5 H SER 5 -6.350 -14.045 -7.177 18 HA SER 5 HA SER 5 -4.717 -12.517 -7.692 19 HB2 SER 5 1HB SER 5 -6.897 -11.345 -8.150 20 HB3 SER 5 2HB SER 5 -6.748 -10.575 -6.570 21 HG SER 5 HG SER 5 -5.187 -10.222 -8.881 22 H SER 6 H SER 6 -4.173 -13.674 -5.238 23 HA SER 6 HA SER 6 -3.397 -11.474 -3.469 24 HB2 SER 6 1HB SER 6 -3.196 -14.458 -2.999 25 HB3 SER 6 2HB SER 6 -2.946 -13.188 -1.801 26 HG SER 6 HG SER 6 -5.233 -14.351 -2.550 27 H GLY 7 H GLY 7 -1.239 -11.278 -2.684 28 HA2 GLY 7 1HA GLY 7 0.898 -12.836 -3.769 29 HA3 GLY 7 2HA GLY 7 0.753 -11.284 -4.582 30 H ASN 8 H ASN 8 2.439 -10.132 -3.865 31 HA ASN 8 HA ASN 8 3.504 -10.335 -1.244 32 HB2 ASN 8 1HB ASN 8 3.888 -8.226 -3.379 33 HB3 ASN 8 2HB ASN 8 4.828 -8.318 -1.892 34 HD21 ASN 8 1HD2 ASN 8 5.862 -8.440 -4.523 35 HD22 ASN 8 2HD2 ASN 8 6.596 -9.990 -4.728 36 H THR 9 H THR 9 2.745 -9.497 0.573 37 HA THR 9 HA THR 9 0.827 -7.275 0.415 38 HB THR 9 HB THR 9 1.299 -9.079 2.789 39 HG1 THR 9 1HG THR 9 -0.217 -9.443 0.469 40 HG21 THR 9 1HG2 THR 9 -0.138 -7.732 3.827 41 HG22 THR 9 2HG2 THR 9 -1.347 -8.056 2.585 42 HG23 THR 9 3HG2 THR 9 -0.222 -6.713 2.391 43 H TYR 10 H TYR 10 1.061 -5.445 1.679 44 HA TYR 10 HA TYR 10 3.608 -5.172 3.129 45 HB2 TYR 10 1HB TYR 10 2.357 -3.226 1.188 46 HB3 TYR 10 2HB TYR 10 3.637 -2.776 2.310 47 HD1 TYR 10 2HD TYR 10 2.984 -5.553 -0.116 48 HD2 TYR 10 1HD TYR 10 5.741 -2.685 1.391 49 HE1 TYR 10 2HE TYR 10 4.666 -6.330 -1.733 50 HE2 TYR 10 1HE TYR 10 7.431 -3.453 -0.222 51 HH TYR 10 HH TYR 10 7.968 -5.109 -1.679 52 H VAL 11 H VAL 11 3.601 -3.283 4.641 53 HA VAL 11 HA VAL 11 0.914 -2.849 5.775 54 HB VAL 11 HB VAL 11 2.062 -4.364 7.242 55 HG11 VAL 11 1HG1 VAL 11 4.363 -2.775 6.524 56 HG12 VAL 11 2HG1 VAL 11 4.241 -2.972 8.274 57 HG13 VAL 11 3HG1 VAL 11 4.287 -4.391 7.227 58 HG21 VAL 11 1HG2 VAL 11 0.756 -2.815 8.446 59 HG22 VAL 11 2HG2 VAL 11 2.296 -2.896 9.302 60 HG23 VAL 11 3HG2 VAL 11 1.947 -1.530 8.242 61 H ALA 12 H ALA 12 0.344 -0.792 6.067 62 HA ALA 12 HA ALA 12 2.011 1.334 5.213 63 HB1 ALA 12 1HB ALA 12 -0.089 2.051 4.908 64 HB2 ALA 12 2HB ALA 12 -0.731 1.029 6.195 65 HB3 ALA 12 3HB ALA 12 0.015 2.578 6.588 66 H LEU 13 H LEU 13 3.498 2.446 6.292 67 HA LEU 13 HA LEU 13 3.942 1.926 9.096 68 HB2 LEU 13 1HB LEU 13 5.381 3.703 7.132 69 HB3 LEU 13 2HB LEU 13 5.898 3.424 8.794 70 HG LEU 13 HG LEU 13 5.694 1.282 6.678 71 HD11 LEU 13 1HD1 LEU 13 8.176 1.361 6.730 72 HD12 LEU 13 2HD1 LEU 13 8.069 2.833 7.694 73 HD13 LEU 13 3HD1 LEU 13 7.432 2.809 6.050 74 HD21 LEU 13 1HD2 LEU 13 5.942 -0.154 8.348 75 HD22 LEU 13 2HD2 LEU 13 5.911 1.173 9.509 76 HD23 LEU 13 3HD2 LEU 13 7.444 0.644 8.815 77 H TYR 14 H TYR 14 3.104 4.736 7.097 78 HA TYR 14 HA TYR 14 2.145 6.070 9.542 79 HB2 TYR 14 1HB TYR 14 3.164 7.635 7.195 80 HB3 TYR 14 2HB TYR 14 3.011 8.132 8.876 81 HD1 TYR 14 2HD TYR 14 4.709 7.527 10.513 82 HD2 TYR 14 1HD TYR 14 5.089 6.369 6.437 83 HE1 TYR 14 2HE TYR 14 7.081 6.994 10.892 84 HE2 TYR 14 1HE TYR 14 7.461 5.832 6.804 85 HH TYR 14 HH TYR 14 8.920 5.190 8.769 86 H LYS 15 H LYS 15 0.509 7.794 9.067 87 HA LYS 15 HA LYS 15 -1.550 6.690 7.395 88 HB2 LYS 15 1HB LYS 15 -2.290 7.629 9.440 89 HB3 LYS 15 2HB LYS 15 -1.386 9.115 9.175 90 HG2 LYS 15 1HG LYS 15 -2.921 9.455 7.150 91 HG3 LYS 15 2HG LYS 15 -3.934 8.211 7.887 92 HD2 LYS 15 1HD LYS 15 -4.118 9.543 9.918 93 HD3 LYS 15 2HD LYS 15 -3.059 10.773 9.223 94 HE2 LYS 15 1HE LYS 15 -5.205 11.623 8.886 95 HE3 LYS 15 2HE LYS 15 -4.784 10.908 7.331 96 HZ1 LYS 15 1HZ LYS 15 -5.977 8.895 8.789 97 HZ2 LYS 15 2HZ LYS 15 -6.645 9.740 7.486 98 HZ3 LYS 15 3HZ LYS 15 -6.930 10.265 9.069 99 H PHE 16 H PHE 16 -1.944 7.165 5.340 100 HA PHE 16 HA PHE 16 -0.519 9.407 4.117 101 HB2 PHE 16 1HB PHE 16 -0.351 7.120 3.118 102 HB3 PHE 16 2HB PHE 16 -2.074 7.194 2.764 103 HD1 PHE 16 1HD PHE 16 1.231 8.540 1.922 104 HD2 PHE 16 2HD PHE 16 -2.917 8.532 0.966 105 HE1 PHE 16 1HE PHE 16 1.724 9.657 -0.214 106 HE2 PHE 16 2HE PHE 16 -2.430 9.648 -1.172 107 HZ PHE 16 HZ PHE 16 -0.107 10.211 -1.765 108 H VAL 17 H VAL 17 -1.573 10.917 2.762 109 HA VAL 17 HA VAL 17 -4.486 11.115 3.163 110 HB VAL 17 HB VAL 17 -2.519 13.410 3.185 111 HG11 VAL 17 1HG1 VAL 17 -4.266 14.883 3.245 112 HG12 VAL 17 2HG1 VAL 17 -4.968 13.627 2.222 113 HG13 VAL 17 3HG1 VAL 17 -5.382 13.704 3.935 114 HG21 VAL 17 1HG2 VAL 17 -2.287 12.920 5.345 115 HG22 VAL 17 2HG2 VAL 17 -3.971 13.403 5.551 116 HG23 VAL 17 3HG2 VAL 17 -3.567 11.708 5.279 117 HA PRO 18 HA PRO 18 -3.861 11.116 -1.349 118 HB2 PRO 18 1HB PRO 18 -6.349 10.178 -1.896 119 HB3 PRO 18 2HB PRO 18 -5.002 9.125 -1.447 120 HG2 PRO 18 1HG PRO 18 -7.237 10.170 0.249 121 HG3 PRO 18 2HG PRO 18 -6.540 8.540 0.197 122 HD2 PRO 18 1HD PRO 18 -5.901 10.337 2.120 123 HD3 PRO 18 2HD PRO 18 -4.747 9.129 1.521 124 H GLN 19 H GLN 19 -3.908 13.171 -2.063 125 HA GLN 19 HA GLN 19 -5.849 15.091 -1.364 126 HB2 GLN 19 1HB GLN 19 -3.446 15.372 -2.349 127 HB3 GLN 19 2HB GLN 19 -4.265 15.276 -3.902 128 HG2 GLN 19 1HG GLN 19 -5.786 17.131 -2.954 129 HG3 GLN 19 2HG GLN 19 -4.498 17.360 -1.773 130 HE21 GLN 19 1HE2 GLN 19 -5.400 19.225 -3.752 131 HE22 GLN 19 2HE2 GLN 19 -4.057 19.557 -4.786 132 H GLU 20 H GLU 20 -5.627 12.790 -3.992 133 HA GLU 20 HA GLU 20 -8.340 13.558 -4.812 134 HB2 GLU 20 1HB GLU 20 -6.070 12.912 -6.701 135 HB3 GLU 20 2HB GLU 20 -7.738 13.207 -7.170 136 HG2 GLU 20 1HG GLU 20 -6.260 15.281 -5.623 137 HG3 GLU 20 2HG GLU 20 -5.961 15.098 -7.351 138 H ASN 21 H ASN 21 -9.595 11.869 -5.726 139 HA ASN 21 HA ASN 21 -9.631 9.474 -4.494 140 HB2 ASN 21 1HB ASN 21 -10.385 10.002 -7.376 141 HB3 ASN 21 2HB ASN 21 -10.858 8.568 -6.469 142 HD21 ASN 21 1HD2 ASN 21 -12.519 8.679 -5.050 143 HD22 ASN 21 2HD2 ASN 21 -13.485 10.091 -4.805 144 H GLU 22 H GLU 22 -7.912 10.135 -7.534 145 HA GLU 22 HA GLU 22 -6.956 7.729 -8.267 146 HB2 GLU 22 1HB GLU 22 -5.393 10.308 -8.095 147 HB3 GLU 22 2HB GLU 22 -4.837 8.882 -8.958 148 HG2 GLU 22 1HG GLU 22 -7.226 10.593 -9.573 149 HG3 GLU 22 2HG GLU 22 -5.783 10.346 -10.556 150 H ASP 23 H ASP 23 -5.645 9.697 -5.627 151 HA ASP 23 HA ASP 23 -3.572 7.874 -4.947 152 HB2 ASP 23 1HB ASP 23 -4.871 10.129 -3.413 153 HB3 ASP 23 2HB ASP 23 -3.509 9.199 -2.794 154 H LEU 24 H LEU 24 -3.435 6.778 -2.808 155 HA LEU 24 HA LEU 24 -6.032 5.583 -2.095 156 HB2 LEU 24 1HB LEU 24 -4.881 3.824 -3.033 157 HB3 LEU 24 2HB LEU 24 -3.319 4.404 -2.458 158 HG LEU 24 HG LEU 24 -3.891 3.662 -0.189 159 HD11 LEU 24 1HD1 LEU 24 -6.114 3.623 0.191 160 HD12 LEU 24 2HD1 LEU 24 -5.950 1.947 -0.333 161 HD13 LEU 24 3HD1 LEU 24 -6.503 3.176 -1.471 162 HD21 LEU 24 1HD2 LEU 24 -3.497 1.968 -2.494 163 HD22 LEU 24 2HD2 LEU 24 -4.357 1.116 -1.211 164 HD23 LEU 24 3HD2 LEU 24 -2.791 1.858 -0.881 165 H GLU 25 H GLU 25 -6.665 5.699 -0.032 166 HA GLU 25 HA GLU 25 -4.956 7.077 1.863 167 HB2 GLU 25 1HB GLU 25 -7.556 7.343 1.436 168 HB3 GLU 25 2HB GLU 25 -7.652 6.032 2.603 169 HG2 GLU 25 1HG GLU 25 -6.538 7.342 4.265 170 HG3 GLU 25 2HG GLU 25 -6.207 8.621 3.099 171 H MET 26 H MET 26 -3.843 6.151 3.461 172 HA MET 26 HA MET 26 -4.574 3.456 4.347 173 HB2 MET 26 1HB MET 26 -1.927 3.154 4.422 174 HB3 MET 26 2HB MET 26 -2.880 2.720 3.009 175 HG2 MET 26 1HG MET 26 -2.384 4.981 2.078 176 HG3 MET 26 2HG MET 26 -1.284 5.232 3.431 177 HE1 MET 26 1HE MET 26 1.469 3.899 3.298 178 HE2 MET 26 2HE MET 26 1.743 4.626 1.714 179 HE3 MET 26 3HE MET 26 0.738 5.455 2.904 180 H ARG 27 H ARG 27 -3.576 2.859 6.408 181 HA ARG 27 HA ARG 27 -2.777 5.197 8.010 182 HB2 ARG 27 1HB ARG 27 -4.933 3.206 8.492 183 HB3 ARG 27 2HB ARG 27 -4.002 3.740 9.885 184 HG2 ARG 27 1HG ARG 27 -4.539 6.095 9.231 185 HG3 ARG 27 2HG ARG 27 -5.637 5.435 8.017 186 HD2 ARG 27 1HD ARG 27 -7.088 5.756 9.761 187 HD3 ARG 27 2HD ARG 27 -6.583 4.094 10.065 188 HE ARG 27 HE ARG 27 -4.983 6.079 11.406 189 HH11 ARG 27 2HH1 ARG 27 -7.821 4.070 11.579 190 HH12 ARG 27 1HH1 ARG 27 -7.888 4.088 13.310 191 HH21 ARG 27 2HH2 ARG 27 -5.060 6.110 13.685 192 HH22 ARG 27 1HH2 ARG 27 -6.318 5.249 14.507 193 HA PRO 28 HA PRO 28 0.585 2.841 9.554 194 HB2 PRO 28 1HB PRO 28 0.675 3.570 12.167 195 HB3 PRO 28 2HB PRO 28 1.143 4.653 10.851 196 HG2 PRO 28 1HG PRO 28 -1.432 4.523 12.372 197 HG3 PRO 28 2HG PRO 28 -0.496 5.946 11.876 198 HD2 PRO 28 1HD PRO 28 -2.690 5.103 10.530 199 HD3 PRO 28 2HD PRO 28 -1.320 5.893 9.724 200 H GLY 29 H GLY 29 -0.344 0.736 9.295 201 HA2 GLY 29 1HA GLY 29 -0.165 -1.208 10.916 202 HA3 GLY 29 2HA GLY 29 -1.473 -0.405 11.773 203 H ASP 30 H ASP 30 -1.699 -0.058 8.415 204 HA ASP 30 HA ASP 30 -3.906 -1.976 8.359 205 HB2 ASP 30 1HB ASP 30 -3.154 0.400 6.688 206 HB3 ASP 30 2HB ASP 30 -4.262 -0.811 6.049 207 H ILE 31 H ILE 31 -4.206 -3.302 6.406 208 HA ILE 31 HA ILE 31 -1.619 -4.342 5.475 209 HB ILE 31 HB ILE 31 -4.320 -5.692 5.514 210 HG12 ILE 31 1HG1 ILE 31 -3.272 -5.362 7.747 211 HG13 ILE 31 2HG1 ILE 31 -3.421 -7.058 7.301 212 HG21 ILE 31 1HG2 ILE 31 -2.827 -6.377 3.644 213 HG22 ILE 31 2HG2 ILE 31 -1.634 -6.877 4.841 214 HG23 ILE 31 3HG2 ILE 31 -3.203 -7.678 4.773 215 HD11 ILE 31 1HD1 ILE 31 -1.165 -5.832 8.247 216 HD12 ILE 31 2HD1 ILE 31 -1.222 -7.376 7.395 217 HD13 ILE 31 3HD1 ILE 31 -0.879 -5.891 6.508 218 H ILE 32 H ILE 32 -1.082 -3.448 3.583 219 HA ILE 32 HA ILE 32 -3.166 -2.979 1.576 220 HB ILE 32 HB ILE 32 -0.291 -2.051 1.607 221 HG12 ILE 32 1HG1 ILE 32 -1.703 0.211 1.791 222 HG13 ILE 32 2HG1 ILE 32 -2.848 -0.871 2.577 223 HG21 ILE 32 1HG2 ILE 32 -1.539 -0.433 -0.145 224 HG22 ILE 32 2HG2 ILE 32 -0.689 -1.906 -0.608 225 HG23 ILE 32 3HG2 ILE 32 -2.440 -1.926 -0.405 226 HD11 ILE 32 1HD1 ILE 32 -0.181 -1.275 3.587 227 HD12 ILE 32 2HD1 ILE 32 -0.682 0.410 3.739 228 HD13 ILE 32 3HD1 ILE 32 -1.666 -0.871 4.447 229 H THR 33 H THR 33 -3.280 -4.097 -0.282 230 HA THR 33 HA THR 33 -1.365 -6.282 -0.658 231 HB THR 33 HB THR 33 -4.047 -5.856 -1.989 232 HG1 THR 33 1HG THR 33 -4.435 -6.334 0.138 233 HG21 THR 33 1HG2 THR 33 -1.871 -7.647 -2.538 234 HG22 THR 33 2HG2 THR 33 -3.408 -7.472 -3.384 235 HG23 THR 33 3HG2 THR 33 -3.280 -8.562 -2.004 236 H LEU 34 H LEU 34 0.320 -5.689 -1.878 237 HA LEU 34 HA LEU 34 0.330 -3.636 -3.787 238 HB2 LEU 34 1HB LEU 34 2.264 -4.937 -2.585 239 HB3 LEU 34 2HB LEU 34 2.191 -5.956 -4.021 240 HG LEU 34 HG LEU 34 2.599 -3.927 -5.406 241 HD11 LEU 34 1HD1 LEU 34 2.516 -2.674 -2.730 242 HD12 LEU 34 2HD1 LEU 34 2.053 -2.028 -4.304 243 HD13 LEU 34 3HD1 LEU 34 3.754 -2.093 -3.844 244 HD21 LEU 34 1HD2 LEU 34 4.479 -5.173 -3.529 245 HD22 LEU 34 2HD2 LEU 34 5.012 -3.627 -4.192 246 HD23 LEU 34 3HD2 LEU 34 4.591 -4.954 -5.276 247 H LEU 35 H LEU 35 -0.719 -3.568 -5.652 248 HA LEU 35 HA LEU 35 -1.319 -6.077 -7.050 249 HB2 LEU 35 1HB LEU 35 -2.461 -3.328 -7.520 250 HB3 LEU 35 2HB LEU 35 -3.012 -4.835 -8.249 251 HG LEU 35 HG LEU 35 -3.153 -4.264 -5.293 252 HD11 LEU 35 1HD1 LEU 35 -4.705 -2.752 -5.910 253 HD12 LEU 35 2HD1 LEU 35 -5.712 -4.185 -6.113 254 HD13 LEU 35 3HD1 LEU 35 -4.919 -3.460 -7.511 255 HD21 LEU 35 1HD2 LEU 35 -3.214 -6.654 -6.425 256 HD22 LEU 35 2HD2 LEU 35 -4.891 -6.200 -6.728 257 HD23 LEU 35 3HD2 LEU 35 -4.272 -6.239 -5.077 258 H GLU 36 H GLU 36 -0.230 -2.756 -7.751 259 HA GLU 36 HA GLU 36 1.180 -3.825 -10.108 260 HB2 GLU 36 1HB GLU 36 -0.776 -2.119 -10.382 261 HB3 GLU 36 2HB GLU 36 0.411 -0.939 -9.847 262 HG2 GLU 36 1HG GLU 36 1.164 -2.773 -12.054 263 HG3 GLU 36 2HG GLU 36 0.023 -1.474 -12.399 264 H ASP 37 H ASP 37 3.283 -3.965 -9.722 265 HA ASP 37 HA ASP 37 4.561 -1.855 -8.107 266 HB2 ASP 37 1HB ASP 37 6.200 -3.464 -7.388 267 HB3 ASP 37 2HB ASP 37 4.602 -4.152 -7.111 268 H SER 38 H SER 38 4.062 -1.657 -10.922 269 HA SER 38 HA SER 38 6.346 -2.331 -12.447 270 HB2 SER 38 1HB SER 38 3.954 -1.626 -13.219 271 HB3 SER 38 2HB SER 38 4.595 0.014 -13.121 272 HG SER 38 HG SER 38 6.419 -1.182 -14.418 273 H ASN 39 H ASN 39 5.450 0.517 -10.583 274 HA ASN 39 HA ASN 39 7.777 2.004 -11.437 275 HB2 ASN 39 1HB ASN 39 5.486 2.533 -9.574 276 HB3 ASN 39 2HB ASN 39 6.919 3.556 -9.513 277 HD21 ASN 39 1HD2 ASN 39 5.914 5.379 -10.254 278 HD22 ASN 39 2HD2 ASN 39 5.337 5.549 -11.874 279 H GLU 40 H GLU 40 8.886 3.179 -9.384 280 HA GLU 40 HA GLU 40 9.763 1.020 -7.580 281 HB2 GLU 40 1HB GLU 40 11.560 1.393 -9.093 282 HB3 GLU 40 2HB GLU 40 11.393 3.139 -8.970 283 HG2 GLU 40 1HG GLU 40 13.253 2.734 -7.683 284 HG3 GLU 40 2HG GLU 40 11.970 2.776 -6.476 285 H ASP 41 H ASP 41 9.443 4.527 -7.986 286 HA ASP 41 HA ASP 41 9.937 5.143 -5.253 287 HB2 ASP 41 1HB ASP 41 8.584 6.743 -7.435 288 HB3 ASP 41 2HB ASP 41 9.009 7.382 -5.849 289 H TRP 42 H TRP 42 6.949 4.991 -7.183 290 HA TRP 42 HA TRP 42 5.456 4.691 -4.659 291 HB2 TRP 42 1HB TRP 42 4.675 6.101 -7.210 292 HB3 TRP 42 2HB TRP 42 3.502 5.653 -5.975 293 HD1 TRP 42 HD TRP 42 6.992 7.307 -5.557 294 HE1 TRP 42 1HE TRP 42 6.679 9.473 -4.202 295 HE3 TRP 42 3HE TRP 42 1.903 7.236 -5.076 296 HZ2 TRP 42 2HZ TRP 42 4.556 10.955 -3.077 297 HZ3 TRP 42 3HZ TRP 42 0.809 9.064 -3.845 298 HH2 TRP 42 HH TRP 42 2.110 10.884 -2.867 299 H TRP 43 H TRP 43 3.931 3.089 -4.524 300 HA TRP 43 HA TRP 43 3.661 1.322 -6.865 301 HB2 TRP 43 1HB TRP 43 4.025 0.538 -3.968 302 HB3 TRP 43 2HB TRP 43 3.547 -0.587 -5.237 303 HD1 TRP 43 HD TRP 43 5.644 0.683 -7.434 304 HE1 TRP 43 1HE TRP 43 8.125 0.034 -7.209 305 HE3 TRP 43 3HE TRP 43 5.655 -0.794 -2.540 306 HZ2 TRP 43 2HZ TRP 43 9.856 -0.972 -5.220 307 HZ3 TRP 43 3HZ TRP 43 7.764 -1.588 -1.552 308 HH2 TRP 43 HH TRP 43 9.820 -1.675 -2.866 309 H LYS 44 H LYS 44 1.693 0.087 -6.966 310 HA LYS 44 HA LYS 44 -0.544 1.495 -5.690 311 HB2 LYS 44 1HB LYS 44 -0.679 1.498 -8.089 312 HB3 LYS 44 2HB LYS 44 -0.400 -0.237 -8.159 313 HG2 LYS 44 1HG LYS 44 -2.541 -0.749 -7.555 314 HG3 LYS 44 2HG LYS 44 -2.761 0.750 -6.649 315 HD2 LYS 44 1HD LYS 44 -2.804 1.987 -8.798 316 HD3 LYS 44 2HD LYS 44 -2.708 0.445 -9.651 317 HE2 LYS 44 1HE LYS 44 -4.860 0.921 -7.629 318 HE3 LYS 44 2HE LYS 44 -5.023 1.560 -9.264 319 HZ1 LYS 44 1HZ LYS 44 -5.959 -0.759 -8.733 320 HZ2 LYS 44 2HZ LYS 44 -4.353 -1.277 -8.836 321 HZ3 LYS 44 3HZ LYS 44 -5.093 -0.547 -10.171 322 H GLY 45 H GLY 45 -2.223 0.367 -4.674 323 HA2 GLY 45 1HA GLY 45 -1.948 -2.516 -4.324 324 HA3 GLY 45 2HA GLY 45 -1.768 -1.534 -2.878 325 H LYS 46 H LYS 46 -3.627 -2.856 -2.172 326 HA LYS 46 HA LYS 46 -6.119 -1.487 -2.872 327 HB2 LYS 46 1HB LYS 46 -6.080 -3.558 -4.193 328 HB3 LYS 46 2HB LYS 46 -5.820 -4.493 -2.727 329 HG2 LYS 46 1HG LYS 46 -7.981 -4.198 -1.991 330 HG3 LYS 46 2HG LYS 46 -8.215 -2.728 -2.941 331 HD2 LYS 46 1HD LYS 46 -9.446 -4.202 -4.185 332 HD3 LYS 46 2HD LYS 46 -7.871 -4.395 -4.960 333 HE2 LYS 46 1HE LYS 46 -7.580 -6.248 -3.102 334 HE3 LYS 46 2HE LYS 46 -9.343 -6.237 -3.141 335 HZ1 LYS 46 1HZ LYS 46 -7.737 -6.495 -5.610 336 HZ2 LYS 46 2HZ LYS 46 -9.364 -6.886 -5.369 337 HZ3 LYS 46 3HZ LYS 46 -8.154 -7.845 -4.679 338 H ILE 47 H ILE 47 -7.733 -1.564 -1.234 339 HA ILE 47 HA ILE 47 -6.897 -2.636 1.362 340 HB ILE 47 HB ILE 47 -7.856 0.201 0.962 341 HG12 ILE 47 1HG1 ILE 47 -5.164 -0.865 1.843 342 HG13 ILE 47 2HG1 ILE 47 -5.514 -0.126 0.285 343 HG21 ILE 47 1HG2 ILE 47 -7.228 -1.397 3.431 344 HG22 ILE 47 2HG2 ILE 47 -7.299 0.365 3.421 345 HG23 ILE 47 3HG2 ILE 47 -8.733 -0.578 3.015 346 HD11 ILE 47 1HD1 ILE 47 -6.352 1.817 1.961 347 HD12 ILE 47 2HD1 ILE 47 -5.035 1.110 2.897 348 HD13 ILE 47 3HD1 ILE 47 -4.732 1.722 1.271 349 H GLN 48 H GLN 48 -8.688 -2.625 2.959 350 HA GLN 48 HA GLN 48 -10.847 -4.035 2.313 351 HB2 GLN 48 1HB GLN 48 -10.806 -1.726 4.260 352 HB3 GLN 48 2HB GLN 48 -12.088 -2.927 4.185 353 HG2 GLN 48 1HG GLN 48 -9.218 -3.683 4.617 354 HG3 GLN 48 2HG GLN 48 -10.289 -3.243 5.947 355 HE21 GLN 48 1HE2 GLN 48 -11.941 -4.621 6.535 356 HE22 GLN 48 2HE2 GLN 48 -12.043 -6.250 5.969 357 H ASP 49 H ASP 49 -11.288 -0.519 2.686 358 HA ASP 49 HA ASP 49 -13.158 -0.611 0.411 359 HB2 ASP 49 1HB ASP 49 -13.382 1.032 2.941 360 HB3 ASP 49 2HB ASP 49 -14.449 1.183 1.548 361 H ARG 50 H ARG 50 -10.216 0.176 0.844 362 HA ARG 50 HA ARG 50 -10.425 2.812 -0.454 363 HB2 ARG 50 1HB ARG 50 -8.629 1.873 1.735 364 HB3 ARG 50 2HB ARG 50 -7.982 3.012 0.562 365 HG2 ARG 50 1HG ARG 50 -8.761 4.402 2.224 366 HG3 ARG 50 2HG ARG 50 -10.112 4.386 1.089 367 HD2 ARG 50 1HD ARG 50 -11.198 4.036 3.086 368 HD3 ARG 50 2HD ARG 50 -10.933 2.380 2.543 369 HE ARG 50 HE ARG 50 -9.430 2.075 4.266 370 HH11 ARG 50 2HH1 ARG 50 -10.316 5.433 4.027 371 HH12 ARG 50 1HH1 ARG 50 -9.593 5.866 5.541 372 HH21 ARG 50 2HH2 ARG 50 -8.475 2.633 6.261 373 HH22 ARG 50 1HH2 ARG 50 -8.546 4.273 6.811 374 H ILE 51 H ILE 51 -9.085 3.206 -2.197 375 HA ILE 51 HA ILE 51 -7.146 1.204 -3.009 376 HB ILE 51 HB ILE 51 -9.458 1.897 -4.823 377 HG12 ILE 51 1HG1 ILE 51 -8.826 -0.741 -3.487 378 HG13 ILE 51 2HG1 ILE 51 -10.061 0.381 -2.927 379 HG21 ILE 51 1HG2 ILE 51 -8.372 -0.129 -6.068 380 HG22 ILE 51 2HG2 ILE 51 -7.714 1.495 -6.265 381 HG23 ILE 51 3HG2 ILE 51 -6.931 0.354 -5.172 382 HD11 ILE 51 1HD1 ILE 51 -11.528 -0.402 -4.387 383 HD12 ILE 51 2HD1 ILE 51 -10.393 -0.222 -5.725 384 HD13 ILE 51 3HD1 ILE 51 -10.375 -1.687 -4.744 385 H GLY 52 H GLY 52 -5.819 1.899 -4.812 386 HA2 GLY 52 1HA GLY 52 -5.652 3.908 -6.425 387 HA3 GLY 52 2HA GLY 52 -5.666 4.836 -4.933 388 H PHE 53 H PHE 53 -3.579 5.540 -6.029 389 HA PHE 53 HA PHE 53 -1.377 3.670 -5.732 390 HB2 PHE 53 1HB PHE 53 -1.228 6.582 -6.518 391 HB3 PHE 53 2HB PHE 53 -0.018 5.334 -6.796 392 HD1 PHE 53 2HD PHE 53 -0.553 3.469 -8.399 393 HD2 PHE 53 1HD PHE 53 -2.940 6.977 -8.063 394 HE1 PHE 53 2HE PHE 53 -1.538 3.006 -10.605 395 HE2 PHE 53 1HE PHE 53 -3.930 6.519 -10.269 396 HZ PHE 53 HZ PHE 53 -3.228 4.532 -11.543 397 H PHE 54 H PHE 54 0.612 4.380 -4.586 398 HA PHE 54 HA PHE 54 0.432 6.360 -2.539 399 HB2 PHE 54 1HB PHE 54 0.460 4.914 -0.598 400 HB3 PHE 54 2HB PHE 54 -0.972 4.555 -1.557 401 HD1 PHE 54 2HD PHE 54 2.301 3.336 -0.465 402 HD2 PHE 54 1HD PHE 54 -1.220 2.446 -2.684 403 HE1 PHE 54 2HE PHE 54 2.946 0.963 -0.529 404 HE2 PHE 54 1HE PHE 54 -0.582 0.071 -2.750 405 HZ PHE 54 HZ PHE 54 1.505 -0.673 -1.673 406 HA PRO 55 HA PRO 55 4.801 6.072 -2.857 407 HB2 PRO 55 1HB PRO 55 5.554 7.030 -0.431 408 HB3 PRO 55 2HB PRO 55 4.890 8.058 -1.706 409 HG2 PRO 55 1HG PRO 55 3.524 6.884 0.685 410 HG3 PRO 55 2HG PRO 55 3.389 8.518 0.010 411 HD2 PRO 55 1HD PRO 55 1.534 6.598 -0.440 412 HD3 PRO 55 2HD PRO 55 1.919 7.852 -1.636 413 H ALA 56 H ALA 56 6.179 4.421 -2.687 414 HA ALA 56 HA ALA 56 5.652 2.184 -1.029 415 HB1 ALA 56 1HB ALA 56 6.722 1.780 -3.100 416 HB2 ALA 56 2HB ALA 56 8.014 2.925 -2.738 417 HB3 ALA 56 3HB ALA 56 7.907 1.406 -1.848 418 H ASN 57 H ASN 57 7.182 5.131 -0.408 419 HA ASN 57 HA ASN 57 9.032 4.142 1.577 420 HB2 ASN 57 1HB ASN 57 8.196 6.906 0.707 421 HB3 ASN 57 2HB ASN 57 9.273 6.641 2.075 422 HD21 ASN 57 1HD2 ASN 57 9.881 8.041 -0.328 423 HD22 ASN 57 2HD2 ASN 57 11.175 7.199 -1.103 424 H PHE 58 H PHE 58 5.770 4.456 1.522 425 HA PHE 58 HA PHE 58 5.581 5.218 4.355 426 HB2 PHE 58 1HB PHE 58 3.710 5.421 2.042 427 HB3 PHE 58 2HB PHE 58 3.020 5.194 3.645 428 HD1 PHE 58 2HD PHE 58 6.057 7.115 2.736 429 HD2 PHE 58 1HD PHE 58 2.013 7.257 4.055 430 HE1 PHE 58 2HE PHE 58 6.287 9.525 3.171 431 HE2 PHE 58 1HE PHE 58 2.236 9.668 4.492 432 HZ PHE 58 HZ PHE 58 4.376 10.805 4.052 433 H VAL 59 H VAL 59 6.195 2.540 2.879 434 HA VAL 59 HA VAL 59 4.574 0.923 4.696 435 HB VAL 59 HB VAL 59 4.169 -0.763 2.904 436 HG11 VAL 59 1HG1 VAL 59 2.956 1.970 2.805 437 HG12 VAL 59 2HG1 VAL 59 2.420 0.713 1.689 438 HG13 VAL 59 3HG1 VAL 59 2.277 0.467 3.430 439 HG21 VAL 59 1HG2 VAL 59 6.015 0.313 1.438 440 HG22 VAL 59 2HG2 VAL 59 4.582 -0.356 0.658 441 HG23 VAL 59 3HG2 VAL 59 4.724 1.386 0.896 442 H GLN 60 H GLN 60 5.504 -1.073 5.258 443 HA GLN 60 HA GLN 60 8.339 -1.339 4.502 444 HB2 GLN 60 1HB GLN 60 8.025 -0.721 6.858 445 HB3 GLN 60 2HB GLN 60 6.997 -2.128 7.094 446 HG2 GLN 60 1HG GLN 60 8.969 -3.539 6.421 447 HG3 GLN 60 2HG GLN 60 9.943 -2.073 6.513 448 HE21 GLN 60 1HE2 GLN 60 10.317 -1.118 8.517 449 HE22 GLN 60 2HE2 GLN 60 10.061 -1.969 9.999 450 H ARG 61 H ARG 61 8.472 -2.908 3.025 451 HA ARG 61 HA ARG 61 6.756 -4.922 2.428 452 HB2 ARG 61 1HB ARG 61 8.680 -4.512 1.048 453 HB3 ARG 61 2HB ARG 61 9.773 -4.968 2.348 454 HG2 ARG 61 1HG ARG 61 9.157 -7.253 2.181 455 HG3 ARG 61 2HG ARG 61 7.811 -6.875 1.104 456 HD2 ARG 61 1HD ARG 61 9.235 -6.376 -0.685 457 HD3 ARG 61 2HD ARG 61 10.641 -6.210 0.366 458 HE ARG 61 HE ARG 61 9.502 -8.850 0.354 459 HH11 ARG 61 2HH1 ARG 61 11.729 -6.679 -1.210 460 HH12 ARG 61 1HH1 ARG 61 12.696 -7.949 -1.885 461 HH21 ARG 61 2HH2 ARG 61 10.766 -10.531 -0.530 462 HH22 ARG 61 1HH2 ARG 61 12.146 -10.139 -1.498 463 H LEU 62 H LEU 62 6.139 -6.838 3.248 464 HA LEU 62 HA LEU 62 7.383 -7.679 5.777 465 HB2 LEU 62 1HB LEU 62 4.614 -7.754 4.718 466 HB3 LEU 62 2HB LEU 62 5.116 -9.074 5.771 467 HG LEU 62 HG LEU 62 5.267 -6.162 6.537 468 HD11 LEU 62 1HD1 LEU 62 3.182 -6.240 7.428 469 HD12 LEU 62 2HD1 LEU 62 3.248 -7.977 7.721 470 HD13 LEU 62 3HD1 LEU 62 2.938 -7.369 6.095 471 HD21 LEU 62 1HD2 LEU 62 5.173 -7.487 8.841 472 HD22 LEU 62 2HD2 LEU 62 6.690 -7.152 8.006 473 HD23 LEU 62 3HD2 LEU 62 5.929 -8.736 7.851 474 H SER 63 H SER 63 8.734 -9.330 5.590 475 HA SER 63 HA SER 63 8.132 -11.421 3.601 476 HB2 SER 63 1HB SER 63 10.601 -11.858 3.575 477 HB3 SER 63 2HB SER 63 10.153 -10.268 2.959 478 HG SER 63 HG SER 63 10.650 -9.461 5.094 479 H GLY 64 H GLY 64 9.980 -10.957 6.624 480 HA2 GLY 64 1HA GLY 64 9.257 -12.219 8.603 481 HA3 GLY 64 2HA GLY 64 8.921 -13.565 7.524 482 HA PRO 65 HA PRO 65 13.455 -13.394 9.158 483 HB2 PRO 65 1HB PRO 65 13.231 -14.717 11.518 484 HB3 PRO 65 2HB PRO 65 13.129 -12.957 11.390 485 HG2 PRO 65 1HG PRO 65 10.925 -14.973 11.597 486 HG3 PRO 65 2HG PRO 65 11.091 -13.409 12.415 487 HD2 PRO 65 1HD PRO 65 9.518 -13.755 10.238 488 HD3 PRO 65 2HD PRO 65 10.357 -12.228 10.577 489 H SER 66 H SER 66 14.274 -14.901 7.832 490 HA SER 66 HA SER 66 13.363 -17.685 8.151 491 HB2 SER 66 1HB SER 66 13.836 -18.078 5.860 492 HB3 SER 66 2HB SER 66 13.008 -16.522 5.902 493 HG SER 66 HG SER 66 15.619 -17.126 5.231 494 H SER 67 H SER 67 15.003 -19.356 7.797 495 HA SER 67 HA SER 67 17.660 -18.467 8.713 496 HB2 SER 67 1HB SER 67 16.009 -20.871 9.434 497 HB3 SER 67 2HB SER 67 17.765 -20.921 9.587 498 HG SER 67 HG SER 67 16.822 -20.234 11.526 499 H GLY 68 H GLY 68 16.067 -21.161 6.994 500 HA2 GLY 68 1HA GLY 68 17.041 -21.237 4.587 501 HA3 GLY 68 2HA GLY 68 18.538 -21.552 5.453 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -10.534 -26.112 -5.844 2 HA2 GLY 1 1HA GLY 1 -10.388 -23.741 -6.249 3 HA3 GLY 1 2HA GLY 1 -11.827 -23.529 -5.262 4 H SER 2 H SER 2 -8.465 -23.415 -5.324 5 HA SER 2 HA SER 2 -8.217 -23.660 -2.416 6 HB2 SER 2 1HB SER 2 -6.569 -24.842 -3.849 7 HB3 SER 2 2HB SER 2 -6.050 -23.287 -4.498 8 HG SER 2 HG SER 2 -4.786 -23.165 -2.838 9 H SER 3 H SER 3 -7.175 -22.011 -1.177 10 HA SER 3 HA SER 3 -7.388 -19.327 -2.379 11 HB2 SER 3 1HB SER 3 -8.339 -20.373 0.257 12 HB3 SER 3 2HB SER 3 -7.815 -18.693 0.150 13 HG SER 3 HG SER 3 -10.156 -19.521 -0.419 14 H GLY 4 H GLY 4 -5.534 -18.252 -2.451 15 HA2 GLY 4 1HA GLY 4 -3.777 -17.560 -0.588 16 HA3 GLY 4 2HA GLY 4 -3.266 -19.214 -0.889 17 H SER 5 H SER 5 -1.228 -18.404 -1.587 18 HA SER 5 HA SER 5 0.252 -17.372 -3.032 19 HB2 SER 5 1HB SER 5 0.182 -18.423 -5.243 20 HB3 SER 5 2HB SER 5 -0.172 -19.610 -3.988 21 HG SER 5 HG SER 5 -2.165 -19.788 -4.698 22 H SER 6 H SER 6 -1.972 -15.664 -2.441 23 HA SER 6 HA SER 6 -3.124 -14.503 -4.721 24 HB2 SER 6 1HB SER 6 -3.845 -14.142 -2.331 25 HB3 SER 6 2HB SER 6 -2.464 -13.062 -2.145 26 HG SER 6 HG SER 6 -4.836 -12.455 -3.076 27 H GLY 7 H GLY 7 -0.304 -13.431 -2.814 28 HA2 GLY 7 1HA GLY 7 1.429 -12.843 -4.827 29 HA3 GLY 7 2HA GLY 7 0.390 -11.427 -4.765 30 H ASN 8 H ASN 8 2.047 -10.055 -4.111 31 HA ASN 8 HA ASN 8 3.410 -10.642 -1.598 32 HB2 ASN 8 1HB ASN 8 3.784 -8.175 -3.290 33 HB3 ASN 8 2HB ASN 8 4.907 -8.886 -2.134 34 HD21 ASN 8 1HD2 ASN 8 4.533 -8.371 -5.260 35 HD22 ASN 8 2HD2 ASN 8 5.313 -9.763 -5.923 36 H THR 9 H THR 9 3.003 -9.640 0.290 37 HA THR 9 HA THR 9 0.817 -7.671 0.316 38 HB THR 9 HB THR 9 1.721 -9.034 2.813 39 HG1 THR 9 1HG THR 9 1.410 -10.882 1.771 40 HG21 THR 9 1HG2 THR 9 -0.052 -7.257 2.746 41 HG22 THR 9 2HG2 THR 9 -0.573 -8.789 3.448 42 HG23 THR 9 3HG2 THR 9 -1.042 -8.368 1.801 43 H TYR 10 H TYR 10 0.939 -5.891 1.798 44 HA TYR 10 HA TYR 10 3.567 -5.259 2.893 45 HB2 TYR 10 1HB TYR 10 2.144 -3.560 0.840 46 HB3 TYR 10 2HB TYR 10 3.452 -2.962 1.855 47 HD1 TYR 10 2HD TYR 10 2.695 -5.742 -0.522 48 HD2 TYR 10 1HD TYR 10 5.622 -3.091 1.062 49 HE1 TYR 10 2HE TYR 10 4.335 -6.590 -2.148 50 HE2 TYR 10 1HE TYR 10 7.269 -3.931 -0.561 51 HH TYR 10 HH TYR 10 6.401 -6.432 -2.932 52 H VAL 11 H VAL 11 3.537 -3.647 4.508 53 HA VAL 11 HA VAL 11 0.841 -3.019 5.525 54 HB VAL 11 HB VAL 11 2.014 -4.587 6.988 55 HG11 VAL 11 1HG1 VAL 11 4.117 -4.262 7.874 56 HG12 VAL 11 2HG1 VAL 11 4.307 -3.575 6.260 57 HG13 VAL 11 3HG1 VAL 11 4.059 -2.514 7.647 58 HG21 VAL 11 1HG2 VAL 11 1.155 -3.608 8.805 59 HG22 VAL 11 2HG2 VAL 11 2.244 -2.226 8.684 60 HG23 VAL 11 3HG2 VAL 11 0.756 -2.262 7.738 61 H ALA 12 H ALA 12 0.407 -0.962 6.215 62 HA ALA 12 HA ALA 12 2.053 1.130 5.170 63 HB1 ALA 12 1HB ALA 12 0.263 2.487 6.617 64 HB2 ALA 12 2HB ALA 12 -0.104 1.805 5.032 65 HB3 ALA 12 3HB ALA 12 -0.584 0.944 6.494 66 H LEU 13 H LEU 13 3.107 2.786 6.316 67 HA LEU 13 HA LEU 13 3.839 2.061 9.075 68 HB2 LEU 13 1HB LEU 13 5.470 3.707 7.155 69 HB3 LEU 13 2HB LEU 13 5.978 3.060 8.714 70 HG LEU 13 HG LEU 13 5.254 1.300 6.382 71 HD11 LEU 13 1HD1 LEU 13 7.178 2.956 5.974 72 HD12 LEU 13 2HD1 LEU 13 7.467 1.243 5.672 73 HD13 LEU 13 3HD1 LEU 13 8.065 1.990 7.153 74 HD21 LEU 13 1HD2 LEU 13 6.383 -0.405 7.596 75 HD22 LEU 13 2HD2 LEU 13 5.266 0.376 8.716 76 HD23 LEU 13 3HD2 LEU 13 6.989 0.752 8.782 77 H TYR 14 H TYR 14 2.671 4.554 6.969 78 HA TYR 14 HA TYR 14 2.138 6.236 9.300 79 HB2 TYR 14 1HB TYR 14 3.122 7.585 6.819 80 HB3 TYR 14 2HB TYR 14 3.160 8.148 8.486 81 HD1 TYR 14 2HD TYR 14 4.865 7.224 10.056 82 HD2 TYR 14 1HD TYR 14 4.936 6.362 5.890 83 HE1 TYR 14 2HE TYR 14 7.208 6.500 10.251 84 HE2 TYR 14 1HE TYR 14 7.279 5.635 6.074 85 HH TYR 14 HH TYR 14 9.068 5.953 9.099 86 H LYS 15 H LYS 15 0.461 7.810 8.948 87 HA LYS 15 HA LYS 15 -1.644 6.801 7.301 88 HB2 LYS 15 1HB LYS 15 -2.357 7.745 9.329 89 HB3 LYS 15 2HB LYS 15 -1.353 9.174 9.122 90 HG2 LYS 15 1HG LYS 15 -2.811 9.864 7.239 91 HG3 LYS 15 2HG LYS 15 -3.859 8.490 7.601 92 HD2 LYS 15 1HD LYS 15 -4.330 9.371 9.797 93 HD3 LYS 15 2HD LYS 15 -3.169 10.679 9.561 94 HE2 LYS 15 1HE LYS 15 -5.251 11.666 9.153 95 HE3 LYS 15 2HE LYS 15 -4.599 11.341 7.548 96 HZ1 LYS 15 1HZ LYS 15 -6.490 9.537 8.952 97 HZ2 LYS 15 2HZ LYS 15 -5.985 9.436 7.341 98 HZ3 LYS 15 3HZ LYS 15 -6.969 10.719 7.839 99 H PHE 16 H PHE 16 -1.955 7.213 5.223 100 HA PHE 16 HA PHE 16 -0.604 9.503 4.003 101 HB2 PHE 16 1HB PHE 16 -0.358 7.180 3.050 102 HB3 PHE 16 2HB PHE 16 -2.061 7.253 2.609 103 HD1 PHE 16 2HD PHE 16 -2.813 9.077 1.027 104 HD2 PHE 16 1HD PHE 16 1.282 8.115 1.679 105 HE1 PHE 16 2HE PHE 16 -2.218 10.195 -1.082 106 HE2 PHE 16 1HE PHE 16 1.883 9.232 -0.430 107 HZ PHE 16 HZ PHE 16 0.132 10.273 -1.814 108 H VAL 17 H VAL 17 -1.656 11.153 3.003 109 HA VAL 17 HA VAL 17 -4.599 11.148 3.193 110 HB VAL 17 HB VAL 17 -2.745 13.529 3.347 111 HG11 VAL 17 1HG1 VAL 17 -4.891 14.677 4.072 112 HG12 VAL 17 2HG1 VAL 17 -4.756 14.266 2.361 113 HG13 VAL 17 3HG1 VAL 17 -5.739 13.268 3.435 114 HG21 VAL 17 1HG2 VAL 17 -4.338 13.207 5.672 115 HG22 VAL 17 2HG2 VAL 17 -3.546 11.667 5.339 116 HG23 VAL 17 3HG2 VAL 17 -2.582 13.132 5.526 117 HA PRO 18 HA PRO 18 -3.862 11.352 -1.295 118 HB2 PRO 18 1HB PRO 18 -6.303 10.357 -1.945 119 HB3 PRO 18 2HB PRO 18 -4.935 9.331 -1.499 120 HG2 PRO 18 1HG PRO 18 -7.245 10.240 0.173 121 HG3 PRO 18 2HG PRO 18 -6.495 8.636 0.079 122 HD2 PRO 18 1HD PRO 18 -5.966 10.377 2.085 123 HD3 PRO 18 2HD PRO 18 -4.757 9.229 1.473 124 H GLN 19 H GLN 19 -4.109 13.236 -2.303 125 HA GLN 19 HA GLN 19 -6.100 15.134 -1.475 126 HB2 GLN 19 1HB GLN 19 -3.884 15.909 -2.106 127 HB3 GLN 19 2HB GLN 19 -4.071 15.219 -3.713 128 HG2 GLN 19 1HG GLN 19 -5.909 16.776 -4.158 129 HG3 GLN 19 2HG GLN 19 -5.684 17.482 -2.558 130 HE21 GLN 19 1HE2 GLN 19 -3.689 18.567 -2.118 131 HE22 GLN 19 2HE2 GLN 19 -2.791 19.288 -3.405 132 H GLU 20 H GLU 20 -5.661 12.911 -4.139 133 HA GLU 20 HA GLU 20 -8.379 13.543 -5.042 134 HB2 GLU 20 1HB GLU 20 -7.761 13.563 -7.347 135 HB3 GLU 20 2HB GLU 20 -6.688 14.678 -6.513 136 HG2 GLU 20 1HG GLU 20 -5.074 12.668 -6.387 137 HG3 GLU 20 2HG GLU 20 -6.085 11.988 -7.661 138 H ASN 21 H ASN 21 -9.350 11.819 -6.342 139 HA ASN 21 HA ASN 21 -9.420 9.383 -5.202 140 HB2 ASN 21 1HB ASN 21 -9.559 9.538 -8.201 141 HB3 ASN 21 2HB ASN 21 -10.535 8.572 -7.098 142 HD21 ASN 21 1HD2 ASN 21 -10.989 10.768 -9.221 143 HD22 ASN 21 2HD2 ASN 21 -12.135 11.811 -8.457 144 H GLU 22 H GLU 22 -7.275 10.244 -7.908 145 HA GLU 22 HA GLU 22 -6.023 7.921 -8.464 146 HB2 GLU 22 1HB GLU 22 -4.686 10.603 -8.068 147 HB3 GLU 22 2HB GLU 22 -3.951 9.233 -8.888 148 HG2 GLU 22 1HG GLU 22 -6.586 10.263 -9.822 149 HG3 GLU 22 2HG GLU 22 -5.108 11.121 -10.252 150 H ASP 23 H ASP 23 -5.248 10.020 -5.708 151 HA ASP 23 HA ASP 23 -3.214 8.294 -4.690 152 HB2 ASP 23 1HB ASP 23 -4.737 10.560 -3.389 153 HB3 ASP 23 2HB ASP 23 -3.360 9.739 -2.661 154 H LEU 24 H LEU 24 -3.312 7.229 -2.576 155 HA LEU 24 HA LEU 24 -5.995 6.143 -2.021 156 HB2 LEU 24 1HB LEU 24 -4.962 4.285 -2.838 157 HB3 LEU 24 2HB LEU 24 -3.359 4.827 -2.348 158 HG LEU 24 HG LEU 24 -4.025 4.266 0.022 159 HD11 LEU 24 1HD1 LEU 24 -6.057 2.382 -0.930 160 HD12 LEU 24 2HD1 LEU 24 -6.542 4.077 -0.985 161 HD13 LEU 24 3HD1 LEU 24 -6.009 3.361 0.536 162 HD21 LEU 24 1HD2 LEU 24 -3.441 2.429 -2.191 163 HD22 LEU 24 2HD2 LEU 24 -4.078 1.660 -0.737 164 HD23 LEU 24 3HD2 LEU 24 -2.619 2.648 -0.646 165 H GLU 25 H GLU 25 -6.551 5.744 0.130 166 HA GLU 25 HA GLU 25 -4.937 7.236 2.074 167 HB2 GLU 25 1HB GLU 25 -7.320 7.889 1.747 168 HB3 GLU 25 2HB GLU 25 -7.799 6.296 2.315 169 HG2 GLU 25 1HG GLU 25 -6.902 6.726 4.487 170 HG3 GLU 25 2HG GLU 25 -6.186 8.242 3.944 171 H MET 26 H MET 26 -3.779 6.175 3.532 172 HA MET 26 HA MET 26 -4.667 3.516 4.402 173 HB2 MET 26 1HB MET 26 -2.043 3.082 4.470 174 HB3 MET 26 2HB MET 26 -3.007 2.740 3.040 175 HG2 MET 26 1HG MET 26 -2.391 4.991 2.172 176 HG3 MET 26 2HG MET 26 -1.300 5.162 3.546 177 HE1 MET 26 1HE MET 26 0.691 5.317 3.090 178 HE2 MET 26 2HE MET 26 1.761 3.992 2.634 179 HE3 MET 26 3HE MET 26 1.221 5.148 1.416 180 H ARG 27 H ARG 27 -3.988 2.906 6.499 181 HA ARG 27 HA ARG 27 -3.108 5.178 8.154 182 HB2 ARG 27 1HB ARG 27 -5.018 2.924 8.671 183 HB3 ARG 27 2HB ARG 27 -4.211 3.720 10.015 184 HG2 ARG 27 1HG ARG 27 -5.135 5.874 9.269 185 HG3 ARG 27 2HG ARG 27 -5.987 5.035 7.971 186 HD2 ARG 27 1HD ARG 27 -6.346 4.180 10.815 187 HD3 ARG 27 2HD ARG 27 -7.231 5.570 10.187 188 HE ARG 27 HE ARG 27 -7.606 3.495 8.388 189 HH11 ARG 27 2HH1 ARG 27 -8.327 4.185 11.723 190 HH12 ARG 27 1HH1 ARG 27 -9.754 3.203 11.753 191 HH21 ARG 27 2HH2 ARG 27 -9.483 2.199 8.415 192 HH22 ARG 27 1HH2 ARG 27 -10.410 2.073 9.871 193 HA PRO 28 HA PRO 28 0.455 2.993 9.488 194 HB2 PRO 28 1HB PRO 28 0.626 3.731 12.096 195 HB3 PRO 28 2HB PRO 28 0.979 4.834 10.760 196 HG2 PRO 28 1HG PRO 28 -1.515 4.577 12.396 197 HG3 PRO 28 2HG PRO 28 -0.676 6.043 11.859 198 HD2 PRO 28 1HD PRO 28 -2.883 5.090 10.613 199 HD3 PRO 28 2HD PRO 28 -1.592 5.946 9.746 200 H GLY 29 H GLY 29 -0.348 0.840 9.277 201 HA2 GLY 29 1HA GLY 29 0.005 -1.034 11.009 202 HA3 GLY 29 2HA GLY 29 -1.438 -0.348 11.741 203 H ASP 30 H ASP 30 -2.414 0.262 8.921 204 HA ASP 30 HA ASP 30 -4.020 -2.047 8.624 205 HB2 ASP 30 1HB ASP 30 -3.591 0.453 7.040 206 HB3 ASP 30 2HB ASP 30 -4.469 -0.883 6.299 207 H ILE 31 H ILE 31 -4.195 -3.276 6.540 208 HA ILE 31 HA ILE 31 -1.498 -3.982 5.586 209 HB ILE 31 HB ILE 31 -3.936 -5.762 5.602 210 HG12 ILE 31 1HG1 ILE 31 -2.839 -5.005 7.870 211 HG13 ILE 31 2HG1 ILE 31 -3.266 -6.693 7.611 212 HG21 ILE 31 1HG2 ILE 31 -1.023 -6.362 5.107 213 HG22 ILE 31 2HG2 ILE 31 -2.326 -7.548 5.151 214 HG23 ILE 31 3HG2 ILE 31 -2.297 -6.318 3.888 215 HD11 ILE 31 1HD1 ILE 31 -0.525 -5.508 7.248 216 HD12 ILE 31 2HD1 ILE 31 -1.069 -6.452 8.635 217 HD13 ILE 31 3HD1 ILE 31 -0.964 -7.204 7.043 218 H ILE 32 H ILE 32 -1.063 -3.535 3.538 219 HA ILE 32 HA ILE 32 -3.310 -3.138 1.676 220 HB ILE 32 HB ILE 32 -0.502 -2.040 1.494 221 HG12 ILE 32 1HG1 ILE 32 -2.019 0.143 1.692 222 HG13 ILE 32 2HG1 ILE 32 -3.066 -0.966 2.568 223 HG21 ILE 32 1HG2 ILE 32 -2.814 -1.145 -0.176 224 HG22 ILE 32 2HG2 ILE 32 -1.085 -0.993 -0.485 225 HG23 ILE 32 3HG2 ILE 32 -1.874 -2.562 -0.643 226 HD11 ILE 32 1HD1 ILE 32 -1.572 -1.229 4.287 227 HD12 ILE 32 2HD1 ILE 32 -0.182 -0.806 3.287 228 HD13 ILE 32 3HD1 ILE 32 -1.292 0.451 3.832 229 H THR 33 H THR 33 -3.389 -4.225 -0.228 230 HA THR 33 HA THR 33 -1.470 -6.411 -0.557 231 HB THR 33 HB THR 33 -4.148 -5.957 -1.888 232 HG1 THR 33 1HG THR 33 -3.811 -6.654 0.499 233 HG21 THR 33 1HG2 THR 33 -3.394 -8.645 -2.082 234 HG22 THR 33 2HG2 THR 33 -1.960 -7.722 -2.535 235 HG23 THR 33 3HG2 THR 33 -3.481 -7.466 -3.390 236 H LEU 34 H LEU 34 0.262 -5.752 -1.693 237 HA LEU 34 HA LEU 34 0.330 -3.742 -3.626 238 HB2 LEU 34 1HB LEU 34 2.286 -4.750 -2.442 239 HB3 LEU 34 2HB LEU 34 2.135 -6.151 -3.501 240 HG LEU 34 HG LEU 34 2.542 -4.631 -5.442 241 HD11 LEU 34 1HD1 LEU 34 1.978 -2.496 -4.725 242 HD12 LEU 34 2HD1 LEU 34 3.740 -2.462 -4.740 243 HD13 LEU 34 3HD1 LEU 34 2.876 -2.657 -3.216 244 HD21 LEU 34 1HD2 LEU 34 4.810 -4.457 -3.487 245 HD22 LEU 34 2HD2 LEU 34 4.865 -4.713 -5.231 246 HD23 LEU 34 3HD2 LEU 34 4.296 -6.001 -4.168 247 H LEU 35 H LEU 35 -0.412 -3.644 -5.635 248 HA LEU 35 HA LEU 35 -1.082 -6.162 -7.005 249 HB2 LEU 35 1HB LEU 35 -2.181 -3.403 -7.517 250 HB3 LEU 35 2HB LEU 35 -2.710 -4.901 -8.278 251 HG LEU 35 HG LEU 35 -2.974 -4.355 -5.327 252 HD11 LEU 35 1HD1 LEU 35 -4.788 -3.708 -7.614 253 HD12 LEU 35 2HD1 LEU 35 -4.364 -2.730 -6.210 254 HD13 LEU 35 3HD1 LEU 35 -5.451 -4.106 -6.029 255 HD21 LEU 35 1HD2 LEU 35 -4.728 -6.158 -5.591 256 HD22 LEU 35 2HD2 LEU 35 -3.050 -6.678 -5.750 257 HD23 LEU 35 3HD2 LEU 35 -4.046 -6.460 -7.189 258 H GLU 36 H GLU 36 0.380 -2.974 -7.430 259 HA GLU 36 HA GLU 36 1.726 -4.006 -9.838 260 HB2 GLU 36 1HB GLU 36 -0.112 -2.176 -10.128 261 HB3 GLU 36 2HB GLU 36 1.119 -1.088 -9.501 262 HG2 GLU 36 1HG GLU 36 2.544 -1.472 -11.324 263 HG3 GLU 36 2HG GLU 36 1.634 -2.891 -11.840 264 H ASP 37 H ASP 37 3.886 -3.778 -9.914 265 HA ASP 37 HA ASP 37 5.174 -2.037 -7.924 266 HB2 ASP 37 1HB ASP 37 6.729 -3.701 -7.299 267 HB3 ASP 37 2HB ASP 37 5.167 -4.515 -7.296 268 H SER 38 H SER 38 4.699 -1.330 -10.574 269 HA SER 38 HA SER 38 7.161 -1.797 -12.051 270 HB2 SER 38 1HB SER 38 5.073 -1.842 -13.305 271 HB3 SER 38 2HB SER 38 4.678 -0.213 -12.758 272 HG SER 38 HG SER 38 7.112 -0.619 -14.073 273 H ASN 39 H ASN 39 5.491 0.809 -10.373 274 HA ASN 39 HA ASN 39 7.747 2.606 -10.922 275 HB2 ASN 39 1HB ASN 39 5.218 3.467 -9.555 276 HB3 ASN 39 2HB ASN 39 6.327 4.418 -10.538 277 HD21 ASN 39 1HD2 ASN 39 3.625 2.277 -10.526 278 HD22 ASN 39 2HD2 ASN 39 3.240 2.411 -12.205 279 H GLU 40 H GLU 40 9.153 1.561 -9.418 280 HA GLU 40 HA GLU 40 8.860 0.855 -6.855 281 HB2 GLU 40 1HB GLU 40 11.156 1.853 -6.416 282 HB3 GLU 40 2HB GLU 40 11.034 0.740 -7.772 283 HG2 GLU 40 1HG GLU 40 10.674 2.901 -9.168 284 HG3 GLU 40 2HG GLU 40 11.415 3.696 -7.781 285 H ASP 41 H ASP 41 9.272 4.226 -7.907 286 HA ASP 41 HA ASP 41 9.248 5.498 -5.466 287 HB2 ASP 41 1HB ASP 41 7.851 6.497 -7.956 288 HB3 ASP 41 2HB ASP 41 8.464 7.476 -6.626 289 H TRP 42 H TRP 42 6.395 4.837 -7.504 290 HA TRP 42 HA TRP 42 4.755 4.955 -5.057 291 HB2 TRP 42 1HB TRP 42 4.037 5.810 -7.868 292 HB3 TRP 42 2HB TRP 42 2.877 5.684 -6.548 293 HD1 TRP 42 HD TRP 42 6.154 7.613 -7.334 294 HE1 TRP 42 1HE TRP 42 5.993 9.927 -6.218 295 HE3 TRP 42 3HE TRP 42 1.661 7.059 -4.959 296 HZ2 TRP 42 2HZ TRP 42 4.200 11.331 -4.550 297 HZ3 TRP 42 3HZ TRP 42 0.793 8.934 -3.623 298 HH2 TRP 42 HH TRP 42 2.039 11.025 -3.424 299 H TRP 43 H TRP 43 3.822 3.101 -4.528 300 HA TRP 43 HA TRP 43 3.522 1.037 -6.602 301 HB2 TRP 43 1HB TRP 43 3.962 0.897 -3.633 302 HB3 TRP 43 2HB TRP 43 3.273 -0.471 -4.502 303 HD1 TRP 43 HD TRP 43 5.284 0.246 -7.122 304 HE1 TRP 43 1HE TRP 43 7.690 -0.652 -6.960 305 HE3 TRP 43 3HE TRP 43 5.522 -0.530 -2.074 306 HZ2 TRP 43 2HZ TRP 43 9.456 -1.569 -4.957 307 HZ3 TRP 43 3HZ TRP 43 7.606 -1.421 -1.115 308 HH2 TRP 43 HH TRP 43 9.530 -1.929 -2.529 309 H LYS 44 H LYS 44 1.592 -0.074 -6.845 310 HA LYS 44 HA LYS 44 -0.747 1.278 -5.700 311 HB2 LYS 44 1HB LYS 44 -0.424 1.027 -8.224 312 HB3 LYS 44 2HB LYS 44 -0.757 -0.684 -7.989 313 HG2 LYS 44 1HG LYS 44 -2.928 0.019 -6.903 314 HG3 LYS 44 2HG LYS 44 -2.593 1.643 -7.509 315 HD2 LYS 44 1HD LYS 44 -2.678 0.919 -9.762 316 HD3 LYS 44 2HD LYS 44 -2.638 -0.782 -9.292 317 HE2 LYS 44 1HE LYS 44 -4.844 -0.617 -8.337 318 HE3 LYS 44 2HE LYS 44 -4.878 1.123 -8.621 319 HZ1 LYS 44 1HZ LYS 44 -5.677 -0.921 -10.348 320 HZ2 LYS 44 2HZ LYS 44 -4.335 -0.166 -11.048 321 HZ3 LYS 44 3HZ LYS 44 -5.694 0.748 -10.627 322 H GLY 45 H GLY 45 -2.450 0.111 -4.766 323 HA2 GLY 45 1HA GLY 45 -2.146 -2.757 -4.383 324 HA3 GLY 45 2HA GLY 45 -2.004 -1.775 -2.932 325 H LYS 46 H LYS 46 -3.861 -2.999 -2.180 326 HA LYS 46 HA LYS 46 -6.334 -1.642 -2.885 327 HB2 LYS 46 1HB LYS 46 -6.495 -3.490 -4.378 328 HB3 LYS 46 2HB LYS 46 -5.933 -4.619 -3.152 329 HG2 LYS 46 1HG LYS 46 -7.993 -4.294 -1.892 330 HG3 LYS 46 2HG LYS 46 -8.557 -3.141 -3.104 331 HD2 LYS 46 1HD LYS 46 -7.803 -5.964 -3.811 332 HD3 LYS 46 2HD LYS 46 -9.428 -5.534 -3.274 333 HE2 LYS 46 1HE LYS 46 -9.496 -3.842 -5.114 334 HE3 LYS 46 2HE LYS 46 -7.963 -4.491 -5.694 335 HZ1 LYS 46 1HZ LYS 46 -8.986 -6.596 -6.091 336 HZ2 LYS 46 2HZ LYS 46 -9.934 -5.411 -6.837 337 HZ3 LYS 46 3HZ LYS 46 -10.437 -6.100 -5.376 338 H ILE 47 H ILE 47 -7.207 -1.002 -1.038 339 HA ILE 47 HA ILE 47 -6.614 -2.500 1.413 340 HB ILE 47 HB ILE 47 -7.787 0.269 1.139 341 HG12 ILE 47 1HG1 ILE 47 -4.957 -0.661 1.648 342 HG13 ILE 47 2HG1 ILE 47 -5.534 0.310 0.298 343 HG21 ILE 47 1HG2 ILE 47 -6.904 -1.376 3.489 344 HG22 ILE 47 2HG2 ILE 47 -7.006 0.382 3.567 345 HG23 ILE 47 3HG2 ILE 47 -8.450 -0.570 3.224 346 HD11 ILE 47 1HD1 ILE 47 -4.962 1.097 3.098 347 HD12 ILE 47 2HD1 ILE 47 -4.599 1.930 1.586 348 HD13 ILE 47 3HD1 ILE 47 -6.239 1.951 2.232 349 H GLN 48 H GLN 48 -8.366 -2.636 3.045 350 HA GLN 48 HA GLN 48 -10.457 -4.150 2.395 351 HB2 GLN 48 1HB GLN 48 -10.316 -1.975 4.467 352 HB3 GLN 48 2HB GLN 48 -11.738 -2.999 4.312 353 HG2 GLN 48 1HG GLN 48 -10.250 -4.978 4.615 354 HG3 GLN 48 2HG GLN 48 -8.934 -3.860 4.969 355 HE21 GLN 48 1HE2 GLN 48 -9.836 -5.813 6.748 356 HE22 GLN 48 2HE2 GLN 48 -10.527 -5.027 8.123 357 H ASP 49 H ASP 49 -11.114 -0.695 2.944 358 HA ASP 49 HA ASP 49 -13.069 -0.820 0.741 359 HB2 ASP 49 1HB ASP 49 -13.201 0.938 3.200 360 HB3 ASP 49 2HB ASP 49 -14.418 0.816 1.932 361 H ARG 50 H ARG 50 -10.110 0.124 1.149 362 HA ARG 50 HA ARG 50 -10.479 2.711 -0.214 363 HB2 ARG 50 1HB ARG 50 -8.618 1.894 1.957 364 HB3 ARG 50 2HB ARG 50 -7.995 2.988 0.730 365 HG2 ARG 50 1HG ARG 50 -8.770 4.452 2.320 366 HG3 ARG 50 2HG ARG 50 -10.150 4.350 1.226 367 HD2 ARG 50 1HD ARG 50 -10.847 2.380 2.827 368 HD3 ARG 50 2HD ARG 50 -9.803 3.232 3.965 369 HE ARG 50 HE ARG 50 -11.698 4.957 2.689 370 HH11 ARG 50 2HH1 ARG 50 -11.235 2.685 5.286 371 HH12 ARG 50 1HH1 ARG 50 -12.502 3.347 6.265 372 HH21 ARG 50 2HH2 ARG 50 -13.368 5.837 3.969 373 HH22 ARG 50 1HH2 ARG 50 -13.715 5.139 5.514 374 H ILE 51 H ILE 51 -9.150 3.167 -1.970 375 HA ILE 51 HA ILE 51 -7.169 1.235 -2.825 376 HB ILE 51 HB ILE 51 -9.360 1.834 -4.783 377 HG12 ILE 51 1HG1 ILE 51 -9.262 -0.575 -2.955 378 HG13 ILE 51 2HG1 ILE 51 -10.375 0.776 -2.765 379 HG21 ILE 51 1HG2 ILE 51 -7.166 0.965 -5.548 380 HG22 ILE 51 2HG2 ILE 51 -7.440 -0.479 -4.573 381 HG23 ILE 51 3HG2 ILE 51 -8.516 -0.108 -5.921 382 HD11 ILE 51 1HD1 ILE 51 -11.793 -0.212 -4.135 383 HD12 ILE 51 2HD1 ILE 51 -10.593 -0.161 -5.427 384 HD13 ILE 51 3HD1 ILE 51 -10.666 -1.552 -4.345 385 H GLY 52 H GLY 52 -5.804 2.005 -4.488 386 HA2 GLY 52 1HA GLY 52 -5.897 4.055 -6.172 387 HA3 GLY 52 2HA GLY 52 -5.754 4.917 -4.648 388 H PHE 53 H PHE 53 -3.763 5.768 -5.541 389 HA PHE 53 HA PHE 53 -1.552 3.847 -5.658 390 HB2 PHE 53 1HB PHE 53 -1.607 6.771 -6.437 391 HB3 PHE 53 2HB PHE 53 -0.264 5.660 -6.687 392 HD1 PHE 53 2HD PHE 53 -0.988 3.435 -7.994 393 HD2 PHE 53 1HD PHE 53 -2.951 7.204 -8.234 394 HE1 PHE 53 2HE PHE 53 -1.915 2.808 -10.185 395 HE2 PHE 53 1HE PHE 53 -3.882 6.583 -10.425 396 HZ PHE 53 HZ PHE 53 -3.364 4.383 -11.404 397 H PHE 54 H PHE 54 0.387 4.210 -4.487 398 HA PHE 54 HA PHE 54 0.466 6.245 -2.443 399 HB2 PHE 54 1HB PHE 54 0.587 4.724 -0.549 400 HB3 PHE 54 2HB PHE 54 -0.939 4.495 -1.397 401 HD1 PHE 54 1HD PHE 54 -1.382 2.466 -2.639 402 HD2 PHE 54 2HD PHE 54 2.291 3.018 -0.561 403 HE1 PHE 54 1HE PHE 54 -0.909 0.060 -2.844 404 HE2 PHE 54 2HE PHE 54 2.771 0.613 -0.764 405 HZ PHE 54 HZ PHE 54 1.170 -0.869 -1.907 406 HA PRO 55 HA PRO 55 4.787 5.802 -3.091 407 HB2 PRO 55 1HB PRO 55 5.738 6.752 -0.732 408 HB3 PRO 55 2HB PRO 55 5.024 7.793 -1.970 409 HG2 PRO 55 1HG PRO 55 3.784 6.689 0.521 410 HG3 PRO 55 2HG PRO 55 3.661 8.321 -0.161 411 HD2 PRO 55 1HD PRO 55 1.713 6.465 -0.463 412 HD3 PRO 55 2HD PRO 55 2.060 7.695 -1.695 413 H ALA 56 H ALA 56 6.554 4.496 -2.600 414 HA ALA 56 HA ALA 56 5.931 2.120 -1.070 415 HB1 ALA 56 1HB ALA 56 8.320 1.507 -1.883 416 HB2 ALA 56 2HB ALA 56 6.993 1.563 -3.044 417 HB3 ALA 56 3HB ALA 56 8.128 2.909 -2.936 418 H ASN 57 H ASN 57 7.249 5.093 -0.362 419 HA ASN 57 HA ASN 57 9.186 4.134 1.582 420 HB2 ASN 57 1HB ASN 57 9.667 6.156 0.233 421 HB3 ASN 57 2HB ASN 57 8.289 6.961 0.978 422 HD21 ASN 57 1HD2 ASN 57 8.536 7.927 2.899 423 HD22 ASN 57 2HD2 ASN 57 9.991 7.905 3.831 424 H PHE 58 H PHE 58 5.913 4.466 1.508 425 HA PHE 58 HA PHE 58 5.672 5.335 4.294 426 HB2 PHE 58 1HB PHE 58 3.773 5.133 1.994 427 HB3 PHE 58 2HB PHE 58 3.132 5.053 3.631 428 HD1 PHE 58 2HD PHE 58 5.791 7.099 1.996 429 HD2 PHE 58 1HD PHE 58 2.171 7.041 4.232 430 HE1 PHE 58 2HE PHE 58 5.839 9.555 2.129 431 HE2 PHE 58 1HE PHE 58 2.211 9.498 4.368 432 HZ PHE 58 HZ PHE 58 4.048 10.758 3.317 433 H VAL 59 H VAL 59 5.517 2.535 2.290 434 HA VAL 59 HA VAL 59 4.402 0.954 4.510 435 HB VAL 59 HB VAL 59 3.812 -0.747 2.919 436 HG11 VAL 59 1HG1 VAL 59 2.033 0.679 2.950 437 HG12 VAL 59 2HG1 VAL 59 2.980 2.052 2.373 438 HG13 VAL 59 3HG1 VAL 59 2.464 0.798 1.244 439 HG21 VAL 59 1HG2 VAL 59 4.386 -0.747 0.643 440 HG22 VAL 59 2HG2 VAL 59 4.899 0.940 0.683 441 HG23 VAL 59 3HG2 VAL 59 5.872 -0.296 1.480 442 H GLN 60 H GLN 60 5.271 -1.389 4.476 443 HA GLN 60 HA GLN 60 8.137 -1.459 3.872 444 HB2 GLN 60 1HB GLN 60 7.818 -0.778 6.255 445 HB3 GLN 60 2HB GLN 60 6.989 -2.304 6.536 446 HG2 GLN 60 1HG GLN 60 8.907 -3.531 6.427 447 HG3 GLN 60 2HG GLN 60 9.710 -2.386 5.353 448 HE21 GLN 60 1HE2 GLN 60 10.552 -0.444 6.259 449 HE22 GLN 60 2HE2 GLN 60 11.002 -0.378 7.925 450 H ARG 61 H ARG 61 8.808 -3.353 3.055 451 HA ARG 61 HA ARG 61 6.929 -5.337 2.335 452 HB2 ARG 61 1HB ARG 61 9.282 -4.663 1.320 453 HB3 ARG 61 2HB ARG 61 9.849 -5.951 2.374 454 HG2 ARG 61 1HG ARG 61 7.866 -7.269 1.218 455 HG3 ARG 61 2HG ARG 61 8.163 -6.089 -0.059 456 HD2 ARG 61 1HD ARG 61 10.426 -7.617 1.169 457 HD3 ARG 61 2HD ARG 61 9.437 -8.343 -0.097 458 HE ARG 61 HE ARG 61 10.165 -5.917 -1.109 459 HH11 ARG 61 2HH1 ARG 61 11.878 -8.665 0.167 460 HH12 ARG 61 1HH1 ARG 61 13.278 -8.417 -0.823 461 HH21 ARG 61 2HH2 ARG 61 12.003 -5.579 -2.418 462 HH22 ARG 61 1HH2 ARG 61 13.348 -6.660 -2.292 463 H LEU 62 H LEU 62 6.242 -7.095 3.374 464 HA LEU 62 HA LEU 62 7.488 -7.758 5.942 465 HB2 LEU 62 1HB LEU 62 4.770 -8.047 4.790 466 HB3 LEU 62 2HB LEU 62 5.290 -9.259 5.958 467 HG LEU 62 HG LEU 62 5.330 -6.303 6.533 468 HD11 LEU 62 1HD1 LEU 62 3.062 -6.677 6.181 469 HD12 LEU 62 2HD1 LEU 62 3.255 -6.927 7.916 470 HD13 LEU 62 3HD1 LEU 62 3.130 -8.314 6.833 471 HD21 LEU 62 1HD2 LEU 62 6.719 -8.019 7.855 472 HD22 LEU 62 2HD2 LEU 62 5.169 -8.563 8.497 473 HD23 LEU 62 3HD2 LEU 62 5.695 -6.899 8.754 474 H SER 63 H SER 63 9.256 -8.942 5.139 475 HA SER 63 HA SER 63 8.531 -11.623 4.170 476 HB2 SER 63 1HB SER 63 9.471 -10.182 2.329 477 HB3 SER 63 2HB SER 63 10.976 -10.102 3.244 478 HG SER 63 HG SER 63 10.852 -12.498 3.181 479 H GLY 64 H GLY 64 9.076 -13.043 5.681 480 HA2 GLY 64 1HA GLY 64 11.567 -13.666 6.568 481 HA3 GLY 64 2HA GLY 64 11.046 -12.420 7.692 482 HA PRO 65 HA PRO 65 9.645 -16.581 9.249 483 HB2 PRO 65 1HB PRO 65 10.670 -16.275 11.744 484 HB3 PRO 65 2HB PRO 65 11.603 -16.937 10.397 485 HG2 PRO 65 1HG PRO 65 11.603 -14.162 11.518 486 HG3 PRO 65 2HG PRO 65 12.975 -15.162 11.007 487 HD2 PRO 65 1HD PRO 65 11.946 -13.196 9.454 488 HD3 PRO 65 2HD PRO 65 12.662 -14.673 8.776 489 H SER 66 H SER 66 7.537 -16.480 9.691 490 HA SER 66 HA SER 66 6.562 -15.252 12.061 491 HB2 SER 66 1HB SER 66 5.220 -13.499 11.185 492 HB3 SER 66 2HB SER 66 6.810 -13.285 10.451 493 HG SER 66 HG SER 66 5.346 -13.131 8.812 494 H SER 67 H SER 67 4.369 -15.779 12.497 495 HA SER 67 HA SER 67 3.343 -17.940 10.780 496 HB2 SER 67 1HB SER 67 3.814 -18.872 12.898 497 HB3 SER 67 2HB SER 67 3.165 -17.472 13.752 498 HG SER 67 HG SER 67 1.470 -18.957 12.085 499 H GLY 68 H GLY 68 2.246 -16.439 9.407 500 HA2 GLY 68 1HA GLY 68 0.409 -14.508 10.276 501 HA3 GLY 68 2HA GLY 68 0.397 -15.280 8.697 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -12.692 -9.424 -9.406 2 HA2 GLY 1 1HA GLY 1 -10.175 -9.030 -9.925 3 HA3 GLY 1 2HA GLY 1 -10.619 -9.375 -8.260 4 H SER 2 H SER 2 -8.081 -9.906 -9.311 5 HA SER 2 HA SER 2 -8.068 -12.854 -9.338 6 HB2 SER 2 1HB SER 2 -6.234 -10.905 -10.740 7 HB3 SER 2 2HB SER 2 -5.856 -12.618 -10.555 8 HG SER 2 HG SER 2 -7.535 -11.400 -12.304 9 H SER 3 H SER 3 -8.008 -12.770 -7.012 10 HA SER 3 HA SER 3 -5.288 -12.292 -6.011 11 HB2 SER 3 1HB SER 3 -6.086 -11.247 -4.009 12 HB3 SER 3 2HB SER 3 -6.856 -10.417 -5.361 13 HG SER 3 HG SER 3 -8.350 -10.927 -3.705 14 H GLY 4 H GLY 4 -4.520 -14.197 -5.390 15 HA2 GLY 4 1HA GLY 4 -6.318 -16.329 -4.586 16 HA3 GLY 4 2HA GLY 4 -4.581 -16.457 -4.813 17 H SER 5 H SER 5 -5.520 -17.741 -2.703 18 HA SER 5 HA SER 5 -5.987 -16.491 -0.315 19 HB2 SER 5 1HB SER 5 -4.904 -18.461 0.768 20 HB3 SER 5 2HB SER 5 -6.038 -18.908 -0.506 21 HG SER 5 HG SER 5 -4.454 -19.825 -1.520 22 H SER 6 H SER 6 -2.761 -17.420 -1.523 23 HA SER 6 HA SER 6 -1.553 -15.573 0.400 24 HB2 SER 6 1HB SER 6 -0.579 -17.946 -1.130 25 HB3 SER 6 2HB SER 6 0.595 -16.715 -0.664 26 HG SER 6 HG SER 6 0.446 -17.347 1.337 27 H GLY 7 H GLY 7 0.251 -14.203 -0.333 28 HA2 GLY 7 1HA GLY 7 0.871 -13.612 -2.969 29 HA3 GLY 7 2HA GLY 7 -0.526 -12.626 -2.567 30 H ASN 8 H ASN 8 1.167 -10.947 -3.114 31 HA ASN 8 HA ASN 8 3.119 -10.452 -1.024 32 HB2 ASN 8 1HB ASN 8 2.435 -8.901 -3.531 33 HB3 ASN 8 2HB ASN 8 3.742 -8.490 -2.424 34 HD21 ASN 8 1HD2 ASN 8 5.496 -8.854 -3.624 35 HD22 ASN 8 2HD2 ASN 8 5.894 -10.363 -4.364 36 H THR 9 H THR 9 2.656 -9.352 0.751 37 HA THR 9 HA THR 9 0.548 -7.295 0.631 38 HB THR 9 HB THR 9 0.143 -7.872 3.092 39 HG1 THR 9 1HG THR 9 1.700 -9.262 3.671 40 HG21 THR 9 1HG2 THR 9 -0.633 -9.633 0.789 41 HG22 THR 9 2HG2 THR 9 -1.593 -8.413 1.625 42 HG23 THR 9 3HG2 THR 9 -1.233 -9.947 2.417 43 H TYR 10 H TYR 10 0.878 -5.424 1.816 44 HA TYR 10 HA TYR 10 3.492 -5.152 3.140 45 HB2 TYR 10 1HB TYR 10 2.239 -3.329 1.094 46 HB3 TYR 10 2HB TYR 10 3.485 -2.766 2.202 47 HD1 TYR 10 2HD TYR 10 2.947 -5.736 -0.014 48 HD2 TYR 10 1HD TYR 10 5.603 -2.688 1.314 49 HE1 TYR 10 2HE TYR 10 4.681 -6.591 -1.536 50 HE2 TYR 10 1HE TYR 10 7.343 -3.534 -0.205 51 HH TYR 10 HH TYR 10 7.625 -6.239 -1.354 52 H VAL 11 H VAL 11 3.602 -3.606 4.817 53 HA VAL 11 HA VAL 11 0.970 -2.891 5.931 54 HB VAL 11 HB VAL 11 2.322 -4.464 7.297 55 HG11 VAL 11 1HG1 VAL 11 4.362 -3.828 8.311 56 HG12 VAL 11 2HG1 VAL 11 4.524 -3.435 6.598 57 HG13 VAL 11 3HG1 VAL 11 4.196 -2.158 7.770 58 HG21 VAL 11 1HG2 VAL 11 1.696 -3.521 9.298 59 HG22 VAL 11 2HG2 VAL 11 2.218 -1.904 8.827 60 HG23 VAL 11 3HG2 VAL 11 0.727 -2.576 8.167 61 H ALA 12 H ALA 12 0.465 -0.812 5.872 62 HA ALA 12 HA ALA 12 2.205 1.221 5.036 63 HB1 ALA 12 1HB ALA 12 0.326 2.700 6.122 64 HB2 ALA 12 2HB ALA 12 0.011 1.763 4.661 65 HB3 ALA 12 3HB ALA 12 -0.523 1.158 6.229 66 H LEU 13 H LEU 13 3.718 2.332 6.079 67 HA LEU 13 HA LEU 13 4.228 1.879 8.857 68 HB2 LEU 13 1HB LEU 13 5.483 3.894 7.000 69 HB3 LEU 13 2HB LEU 13 6.118 3.368 8.557 70 HG LEU 13 HG LEU 13 5.711 1.348 6.398 71 HD11 LEU 13 1HD1 LEU 13 8.021 1.810 5.615 72 HD12 LEU 13 2HD1 LEU 13 8.001 3.299 6.558 73 HD13 LEU 13 3HD1 LEU 13 6.870 3.087 5.221 74 HD21 LEU 13 1HD2 LEU 13 7.411 0.175 7.520 75 HD22 LEU 13 2HD2 LEU 13 6.390 0.840 8.795 76 HD23 LEU 13 3HD2 LEU 13 7.930 1.608 8.407 77 H TYR 14 H TYR 14 3.103 4.646 6.946 78 HA TYR 14 HA TYR 14 2.065 5.829 9.430 79 HB2 TYR 14 1HB TYR 14 3.054 7.632 7.263 80 HB3 TYR 14 2HB TYR 14 2.931 7.925 8.994 81 HD1 TYR 14 1HD TYR 14 4.937 6.283 6.367 82 HD2 TYR 14 2HD TYR 14 4.743 7.422 10.462 83 HE1 TYR 14 1HE TYR 14 7.331 5.777 6.614 84 HE2 TYR 14 2HE TYR 14 7.137 6.920 10.721 85 HH TYR 14 HH TYR 14 9.063 6.501 9.591 86 H LYS 15 H LYS 15 0.432 7.597 8.923 87 HA LYS 15 HA LYS 15 -1.533 6.494 7.129 88 HB2 LYS 15 1HB LYS 15 -2.380 7.324 9.183 89 HB3 LYS 15 2HB LYS 15 -1.518 8.848 9.010 90 HG2 LYS 15 1HG LYS 15 -2.965 9.464 7.146 91 HG3 LYS 15 2HG LYS 15 -3.823 7.929 7.302 92 HD2 LYS 15 1HD LYS 15 -4.801 8.539 9.322 93 HD3 LYS 15 2HD LYS 15 -3.596 9.789 9.639 94 HE2 LYS 15 1HE LYS 15 -5.365 11.093 9.008 95 HE3 LYS 15 2HE LYS 15 -4.601 10.835 7.440 96 HZ1 LYS 15 1HZ LYS 15 -6.286 8.713 7.711 97 HZ2 LYS 15 2HZ LYS 15 -6.579 10.098 6.787 98 HZ3 LYS 15 3HZ LYS 15 -7.174 9.995 8.367 99 H PHE 16 H PHE 16 -1.915 7.086 5.097 100 HA PHE 16 HA PHE 16 -0.466 9.390 4.023 101 HB2 PHE 16 1HB PHE 16 -0.253 7.142 2.930 102 HB3 PHE 16 2HB PHE 16 -1.959 7.242 2.508 103 HD1 PHE 16 2HD PHE 16 -2.736 8.821 0.829 104 HD2 PHE 16 1HD PHE 16 1.395 8.464 1.790 105 HE1 PHE 16 2HE PHE 16 -2.156 10.040 -1.227 106 HE2 PHE 16 1HE PHE 16 1.981 9.683 -0.265 107 HZ PHE 16 HZ PHE 16 0.205 10.472 -1.777 108 H VAL 17 H VAL 17 -1.460 11.070 2.954 109 HA VAL 17 HA VAL 17 -4.395 11.194 3.218 110 HB VAL 17 HB VAL 17 -2.430 13.487 3.336 111 HG11 VAL 17 1HG1 VAL 17 -4.148 14.944 3.282 112 HG12 VAL 17 2HG1 VAL 17 -4.974 13.633 2.439 113 HG13 VAL 17 3HG1 VAL 17 -5.227 13.868 4.169 114 HG21 VAL 17 1HG2 VAL 17 -3.437 11.695 5.353 115 HG22 VAL 17 2HG2 VAL 17 -2.223 12.967 5.489 116 HG23 VAL 17 3HG2 VAL 17 -3.931 13.355 5.688 117 HA PRO 18 HA PRO 18 -3.707 11.362 -1.289 118 HB2 PRO 18 1HB PRO 18 -6.163 10.382 -1.903 119 HB3 PRO 18 2HB PRO 18 -4.795 9.347 -1.478 120 HG2 PRO 18 1HG PRO 18 -7.075 10.269 0.229 121 HG3 PRO 18 2HG PRO 18 -6.336 8.661 0.123 122 HD2 PRO 18 1HD PRO 18 -5.767 10.398 2.121 123 HD3 PRO 18 2HD PRO 18 -4.574 9.243 1.491 124 H GLN 19 H GLN 19 -3.864 13.355 -2.103 125 HA GLN 19 HA GLN 19 -5.905 15.196 -1.316 126 HB2 GLN 19 1HB GLN 19 -3.930 15.435 -3.591 127 HB3 GLN 19 2HB GLN 19 -4.838 16.746 -2.849 128 HG2 GLN 19 1HG GLN 19 -3.557 16.726 -0.928 129 HG3 GLN 19 2HG GLN 19 -3.003 15.074 -1.193 130 HE21 GLN 19 1HE2 GLN 19 -1.022 16.517 -0.577 131 HE22 GLN 19 2HE2 GLN 19 -0.095 17.070 -1.926 132 H GLU 20 H GLU 20 -5.467 12.960 -3.935 133 HA GLU 20 HA GLU 20 -8.084 13.765 -5.000 134 HB2 GLU 20 1HB GLU 20 -5.567 13.234 -6.573 135 HB3 GLU 20 2HB GLU 20 -7.166 13.182 -7.301 136 HG2 GLU 20 1HG GLU 20 -6.075 15.581 -5.856 137 HG3 GLU 20 2HG GLU 20 -5.925 15.330 -7.595 138 H ASN 21 H ASN 21 -9.230 12.079 -6.117 139 HA ASN 21 HA ASN 21 -9.441 9.697 -4.835 140 HB2 ASN 21 1HB ASN 21 -9.834 9.794 -7.815 141 HB3 ASN 21 2HB ASN 21 -10.781 8.933 -6.605 142 HD21 ASN 21 1HD2 ASN 21 -11.627 10.587 -4.852 143 HD22 ASN 21 2HD2 ASN 21 -12.464 11.942 -5.523 144 H GLU 22 H GLU 22 -7.495 10.268 -7.761 145 HA GLU 22 HA GLU 22 -6.505 7.846 -8.359 146 HB2 GLU 22 1HB GLU 22 -4.868 10.374 -8.094 147 HB3 GLU 22 2HB GLU 22 -4.359 8.935 -8.968 148 HG2 GLU 22 1HG GLU 22 -6.176 9.195 -10.534 149 HG3 GLU 22 2HG GLU 22 -6.799 10.570 -9.624 150 H ASP 23 H ASP 23 -5.258 9.889 -5.730 151 HA ASP 23 HA ASP 23 -3.322 8.022 -4.839 152 HB2 ASP 23 1HB ASP 23 -4.649 10.316 -3.380 153 HB3 ASP 23 2HB ASP 23 -3.249 9.426 -2.788 154 H LEU 24 H LEU 24 -3.352 7.000 -2.663 155 HA LEU 24 HA LEU 24 -6.039 5.979 -2.013 156 HB2 LEU 24 1HB LEU 24 -5.111 4.083 -2.853 157 HB3 LEU 24 2HB LEU 24 -3.467 4.588 -2.470 158 HG LEU 24 HG LEU 24 -3.967 4.049 -0.067 159 HD11 LEU 24 1HD1 LEU 24 -6.557 4.012 -0.811 160 HD12 LEU 24 2HD1 LEU 24 -5.931 3.190 0.618 161 HD13 LEU 24 3HD1 LEU 24 -6.183 2.290 -0.877 162 HD21 LEU 24 1HD2 LEU 24 -3.539 2.244 -2.297 163 HD22 LEU 24 2HD2 LEU 24 -4.283 1.435 -0.917 164 HD23 LEU 24 3HD2 LEU 24 -2.756 2.296 -0.717 165 H GLU 25 H GLU 25 -6.614 5.852 0.110 166 HA GLU 25 HA GLU 25 -4.847 7.208 1.998 167 HB2 GLU 25 1HB GLU 25 -7.293 7.837 1.674 168 HB3 GLU 25 2HB GLU 25 -7.690 6.328 2.484 169 HG2 GLU 25 1HG GLU 25 -6.816 7.042 4.516 170 HG3 GLU 25 2HG GLU 25 -5.869 8.325 3.765 171 H MET 26 H MET 26 -3.782 6.193 3.572 172 HA MET 26 HA MET 26 -4.661 3.520 4.400 173 HB2 MET 26 1HB MET 26 -2.064 3.058 4.523 174 HB3 MET 26 2HB MET 26 -2.965 2.791 3.037 175 HG2 MET 26 1HG MET 26 -2.265 5.016 2.246 176 HG3 MET 26 2HG MET 26 -1.304 5.207 3.711 177 HE1 MET 26 1HE MET 26 1.928 4.423 2.095 178 HE2 MET 26 2HE MET 26 0.770 5.737 1.887 179 HE3 MET 26 3HE MET 26 1.077 5.080 3.495 180 H ARG 27 H ARG 27 -3.628 2.819 6.449 181 HA ARG 27 HA ARG 27 -2.810 5.088 8.131 182 HB2 ARG 27 1HB ARG 27 -4.130 3.780 9.977 183 HB3 ARG 27 2HB ARG 27 -4.979 4.867 8.886 184 HG2 ARG 27 1HG ARG 27 -5.315 2.719 7.451 185 HG3 ARG 27 2HG ARG 27 -4.982 1.888 8.972 186 HD2 ARG 27 1HD ARG 27 -7.035 4.071 8.746 187 HD3 ARG 27 2HD ARG 27 -7.420 2.381 8.427 188 HE ARG 27 HE ARG 27 -6.177 2.482 10.907 189 HH11 ARG 27 2HH1 ARG 27 -9.085 3.678 9.412 190 HH12 ARG 27 1HH1 ARG 27 -10.000 3.670 10.883 191 HH21 ARG 27 2HH2 ARG 27 -7.371 2.467 12.850 192 HH22 ARG 27 1HH2 ARG 27 -9.024 2.982 12.838 193 HA PRO 28 HA PRO 28 0.432 2.540 9.630 194 HB2 PRO 28 1HB PRO 28 0.591 3.294 12.233 195 HB3 PRO 28 2HB PRO 28 1.113 4.330 10.900 196 HG2 PRO 28 1HG PRO 28 -1.451 4.379 12.443 197 HG3 PRO 28 2HG PRO 28 -0.433 5.734 11.921 198 HD2 PRO 28 1HD PRO 28 -2.687 5.014 10.605 199 HD3 PRO 28 2HD PRO 28 -1.278 5.707 9.777 200 H GLY 29 H GLY 29 -0.329 0.433 9.516 201 HA2 GLY 29 1HA GLY 29 -0.339 -1.429 11.208 202 HA3 GLY 29 2HA GLY 29 -1.691 -0.575 11.937 203 H ASP 30 H ASP 30 -1.934 -0.181 8.667 204 HA ASP 30 HA ASP 30 -4.001 -2.236 8.512 205 HB2 ASP 30 1HB ASP 30 -3.418 0.295 7.051 206 HB3 ASP 30 2HB ASP 30 -4.293 -0.967 6.188 207 H ILE 31 H ILE 31 -4.203 -3.558 6.572 208 HA ILE 31 HA ILE 31 -1.560 -4.354 5.559 209 HB ILE 31 HB ILE 31 -4.105 -5.978 5.568 210 HG12 ILE 31 1HG1 ILE 31 -3.082 -5.387 7.843 211 HG13 ILE 31 2HG1 ILE 31 -3.340 -7.094 7.501 212 HG21 ILE 31 1HG2 ILE 31 -1.252 -6.632 4.871 213 HG22 ILE 31 2HG2 ILE 31 -2.479 -7.859 5.177 214 HG23 ILE 31 3HG2 ILE 31 -2.674 -6.734 3.833 215 HD11 ILE 31 1HD1 ILE 31 -1.191 -6.695 8.574 216 HD12 ILE 31 2HD1 ILE 31 -0.989 -7.350 6.949 217 HD13 ILE 31 3HD1 ILE 31 -0.722 -5.633 7.247 218 H ILE 32 H ILE 32 -1.119 -3.613 3.596 219 HA ILE 32 HA ILE 32 -3.314 -3.166 1.702 220 HB ILE 32 HB ILE 32 -0.451 -2.208 1.612 221 HG12 ILE 32 1HG1 ILE 32 -2.815 -0.396 1.812 222 HG13 ILE 32 2HG1 ILE 32 -2.297 -1.248 3.263 223 HG21 ILE 32 1HG2 ILE 32 -1.955 -0.705 -0.160 224 HG22 ILE 32 2HG2 ILE 32 -0.795 -1.965 -0.574 225 HG23 ILE 32 3HG2 ILE 32 -2.507 -2.359 -0.423 226 HD11 ILE 32 1HD1 ILE 32 -0.061 -0.281 3.013 227 HD12 ILE 32 2HD1 ILE 32 -0.613 0.597 1.587 228 HD13 ILE 32 3HD1 ILE 32 -1.311 0.953 3.167 229 H THR 33 H THR 33 -3.424 -4.173 -0.251 230 HA THR 33 HA THR 33 -1.665 -6.483 -0.610 231 HB THR 33 HB THR 33 -4.224 -5.793 -2.069 232 HG1 THR 33 1HG THR 33 -4.316 -6.332 0.281 233 HG21 THR 33 1HG2 THR 33 -2.402 -8.184 -2.107 234 HG22 THR 33 2HG2 THR 33 -3.021 -7.246 -3.467 235 HG23 THR 33 3HG2 THR 33 -4.101 -8.307 -2.563 236 H LEU 34 H LEU 34 0.157 -5.872 -1.643 237 HA LEU 34 HA LEU 34 0.410 -3.831 -3.527 238 HB2 LEU 34 1HB LEU 34 2.213 -5.130 -2.241 239 HB3 LEU 34 2HB LEU 34 2.112 -6.302 -3.554 240 HG LEU 34 HG LEU 34 2.662 -4.391 -5.123 241 HD11 LEU 34 1HD1 LEU 34 2.146 -2.509 -3.750 242 HD12 LEU 34 2HD1 LEU 34 3.884 -2.499 -4.048 243 HD13 LEU 34 3HD1 LEU 34 3.259 -3.050 -2.493 244 HD21 LEU 34 1HD2 LEU 34 4.645 -5.381 -5.074 245 HD22 LEU 34 2HD2 LEU 34 4.320 -5.992 -3.452 246 HD23 LEU 34 3HD2 LEU 34 5.087 -4.417 -3.665 247 H LEU 35 H LEU 35 -0.396 -3.659 -5.502 248 HA LEU 35 HA LEU 35 -1.067 -6.111 -6.978 249 HB2 LEU 35 1HB LEU 35 -2.065 -3.300 -7.410 250 HB3 LEU 35 2HB LEU 35 -2.604 -4.740 -8.270 251 HG LEU 35 HG LEU 35 -2.971 -4.329 -5.307 252 HD11 LEU 35 1HD1 LEU 35 -4.575 -2.874 -5.789 253 HD12 LEU 35 2HD1 LEU 35 -5.442 -4.185 -6.590 254 HD13 LEU 35 3HD1 LEU 35 -4.373 -3.136 -7.522 255 HD21 LEU 35 1HD2 LEU 35 -3.194 -6.588 -5.631 256 HD22 LEU 35 2HD2 LEU 35 -3.773 -6.406 -7.288 257 HD23 LEU 35 3HD2 LEU 35 -4.848 -6.053 -5.934 258 H GLU 36 H GLU 36 0.225 -2.832 -7.499 259 HA GLU 36 HA GLU 36 1.694 -3.884 -9.826 260 HB2 GLU 36 1HB GLU 36 -0.107 -1.976 -10.037 261 HB3 GLU 36 2HB GLU 36 1.201 -0.959 -9.447 262 HG2 GLU 36 1HG GLU 36 2.503 -1.316 -11.328 263 HG3 GLU 36 2HG GLU 36 1.634 -2.784 -11.772 264 H ASP 37 H ASP 37 3.826 -3.975 -9.644 265 HA ASP 37 HA ASP 37 5.150 -2.202 -7.697 266 HB2 ASP 37 1HB ASP 37 6.704 -3.971 -7.154 267 HB3 ASP 37 2HB ASP 37 5.063 -4.574 -6.940 268 H SER 38 H SER 38 4.817 -1.410 -10.309 269 HA SER 38 HA SER 38 7.367 -1.961 -11.646 270 HB2 SER 38 1HB SER 38 5.015 -2.017 -12.796 271 HB3 SER 38 2HB SER 38 5.197 -0.264 -12.836 272 HG SER 38 HG SER 38 6.034 -1.131 -14.727 273 H ASN 39 H ASN 39 5.362 0.754 -10.547 274 HA ASN 39 HA ASN 39 7.486 2.653 -11.077 275 HB2 ASN 39 1HB ASN 39 4.759 3.007 -9.813 276 HB3 ASN 39 2HB ASN 39 5.876 4.320 -10.175 277 HD21 ASN 39 1HD2 ASN 39 4.135 5.163 -11.465 278 HD22 ASN 39 2HD2 ASN 39 3.895 4.572 -13.071 279 H GLU 40 H GLU 40 9.076 1.752 -9.646 280 HA GLU 40 HA GLU 40 9.032 1.119 -7.054 281 HB2 GLU 40 1HB GLU 40 11.001 2.883 -8.495 282 HB3 GLU 40 2HB GLU 40 11.247 2.398 -6.823 283 HG2 GLU 40 1HG GLU 40 11.317 0.085 -7.439 284 HG3 GLU 40 2HG GLU 40 10.869 0.469 -9.100 285 H ASP 41 H ASP 41 9.147 4.491 -8.192 286 HA ASP 41 HA ASP 41 9.152 5.826 -5.801 287 HB2 ASP 41 1HB ASP 41 7.458 6.657 -8.160 288 HB3 ASP 41 2HB ASP 41 8.185 7.702 -6.943 289 H TRP 42 H TRP 42 6.178 5.081 -7.630 290 HA TRP 42 HA TRP 42 4.744 5.008 -5.056 291 HB2 TRP 42 1HB TRP 42 3.725 5.847 -7.779 292 HB3 TRP 42 2HB TRP 42 2.722 5.685 -6.340 293 HD1 TRP 42 HD TRP 42 5.959 7.641 -7.263 294 HE1 TRP 42 1HE TRP 42 5.776 9.989 -6.226 295 HE3 TRP 42 3HE TRP 42 1.434 7.150 -4.935 296 HZ2 TRP 42 2HZ TRP 42 3.955 11.441 -4.631 297 HZ3 TRP 42 3HZ TRP 42 0.543 9.065 -3.674 298 HH2 TRP 42 HH TRP 42 1.779 11.165 -3.526 299 H TRP 43 H TRP 43 3.774 3.160 -4.524 300 HA TRP 43 HA TRP 43 3.570 1.069 -6.583 301 HB2 TRP 43 1HB TRP 43 3.999 0.971 -3.612 302 HB3 TRP 43 2HB TRP 43 3.356 -0.428 -4.467 303 HD1 TRP 43 HD TRP 43 5.340 0.290 -7.094 304 HE1 TRP 43 1HE TRP 43 7.777 -0.517 -6.914 305 HE3 TRP 43 3HE TRP 43 5.613 -0.343 -2.028 306 HZ2 TRP 43 2HZ TRP 43 9.577 -1.318 -4.893 307 HZ3 TRP 43 3HZ TRP 43 7.729 -1.134 -1.051 308 HH2 TRP 43 HH TRP 43 9.668 -1.611 -2.455 309 H LYS 44 H LYS 44 1.666 0.024 -6.961 310 HA LYS 44 HA LYS 44 -0.726 1.288 -5.877 311 HB2 LYS 44 1HB LYS 44 -0.457 0.931 -8.333 312 HB3 LYS 44 2HB LYS 44 -0.493 -0.804 -8.046 313 HG2 LYS 44 1HG LYS 44 -2.744 -0.744 -7.351 314 HG3 LYS 44 2HG LYS 44 -2.731 1.016 -7.211 315 HD2 LYS 44 1HD LYS 44 -2.197 0.982 -9.739 316 HD3 LYS 44 2HD LYS 44 -2.777 -0.685 -9.681 317 HE2 LYS 44 1HE LYS 44 -4.929 -0.003 -8.961 318 HE3 LYS 44 2HE LYS 44 -4.375 1.637 -8.627 319 HZ1 LYS 44 1HZ LYS 44 -4.990 0.373 -11.201 320 HZ2 LYS 44 2HZ LYS 44 -3.819 1.592 -11.160 321 HZ3 LYS 44 3HZ LYS 44 -5.395 1.915 -10.636 322 H GLY 45 H GLY 45 -2.316 0.229 -4.733 323 HA2 GLY 45 1HA GLY 45 -1.951 -2.612 -4.135 324 HA3 GLY 45 2HA GLY 45 -1.895 -1.489 -2.784 325 H LYS 46 H LYS 46 -3.730 -3.078 -2.242 326 HA LYS 46 HA LYS 46 -6.234 -1.751 -2.971 327 HB2 LYS 46 1HB LYS 46 -6.227 -3.622 -4.458 328 HB3 LYS 46 2HB LYS 46 -5.704 -4.714 -3.182 329 HG2 LYS 46 1HG LYS 46 -7.851 -4.405 -2.046 330 HG3 LYS 46 2HG LYS 46 -8.374 -3.330 -3.344 331 HD2 LYS 46 1HD LYS 46 -7.474 -6.151 -3.863 332 HD3 LYS 46 2HD LYS 46 -9.147 -5.758 -3.461 333 HE2 LYS 46 1HE LYS 46 -7.799 -4.244 -5.644 334 HE3 LYS 46 2HE LYS 46 -8.336 -5.893 -5.963 335 HZ1 LYS 46 1HZ LYS 46 -9.876 -3.684 -6.172 336 HZ2 LYS 46 2HZ LYS 46 -10.310 -4.268 -4.645 337 HZ3 LYS 46 3HZ LYS 46 -10.462 -5.263 -6.005 338 H ILE 47 H ILE 47 -7.109 -1.087 -1.132 339 HA ILE 47 HA ILE 47 -6.599 -2.601 1.327 340 HB ILE 47 HB ILE 47 -7.790 0.160 1.061 341 HG12 ILE 47 1HG1 ILE 47 -4.940 -0.719 1.557 342 HG13 ILE 47 2HG1 ILE 47 -5.538 0.230 0.201 343 HG21 ILE 47 1HG2 ILE 47 -6.843 -1.480 3.392 344 HG22 ILE 47 2HG2 ILE 47 -7.013 0.272 3.481 345 HG23 ILE 47 3HG2 ILE 47 -8.421 -0.734 3.141 346 HD11 ILE 47 1HD1 ILE 47 -4.946 1.050 2.981 347 HD12 ILE 47 2HD1 ILE 47 -4.662 1.895 1.459 348 HD13 ILE 47 3HD1 ILE 47 -6.281 1.854 2.155 349 H GLN 48 H GLN 48 -8.406 -2.727 2.907 350 HA GLN 48 HA GLN 48 -10.466 -4.251 2.225 351 HB2 GLN 48 1HB GLN 48 -10.566 -1.957 4.186 352 HB3 GLN 48 2HB GLN 48 -11.815 -3.190 4.069 353 HG2 GLN 48 1HG GLN 48 -10.149 -4.909 4.600 354 HG3 GLN 48 2HG GLN 48 -8.922 -3.653 4.758 355 HE21 GLN 48 1HE2 GLN 48 -11.793 -5.051 6.146 356 HE22 GLN 48 2HE2 GLN 48 -11.638 -4.321 7.704 357 H ASP 49 H ASP 49 -11.182 -0.789 2.638 358 HA ASP 49 HA ASP 49 -12.982 -0.983 0.312 359 HB2 ASP 49 1HB ASP 49 -13.363 0.612 2.855 360 HB3 ASP 49 2HB ASP 49 -14.405 0.721 1.440 361 H ARG 50 H ARG 50 -10.107 0.003 0.818 362 HA ARG 50 HA ARG 50 -10.471 2.635 -0.456 363 HB2 ARG 50 1HB ARG 50 -8.696 1.785 1.769 364 HB3 ARG 50 2HB ARG 50 -8.016 2.900 0.591 365 HG2 ARG 50 1HG ARG 50 -8.865 4.374 2.108 366 HG3 ARG 50 2HG ARG 50 -10.249 4.213 1.025 367 HD2 ARG 50 1HD ARG 50 -10.031 2.316 3.301 368 HD3 ARG 50 2HD ARG 50 -10.479 3.983 3.659 369 HE ARG 50 HE ARG 50 -12.118 1.996 2.440 370 HH11 ARG 50 2HH1 ARG 50 -11.460 5.413 2.525 371 HH12 ARG 50 1HH1 ARG 50 -13.057 5.865 2.027 372 HH21 ARG 50 2HH2 ARG 50 -14.223 2.578 1.784 373 HH22 ARG 50 1HH2 ARG 50 -14.628 4.252 1.607 374 H ILE 51 H ILE 51 -9.480 2.938 -2.358 375 HA ILE 51 HA ILE 51 -7.332 1.100 -3.149 376 HB ILE 51 HB ILE 51 -9.628 1.829 -4.969 377 HG12 ILE 51 1HG1 ILE 51 -9.049 -0.833 -3.654 378 HG13 ILE 51 2HG1 ILE 51 -10.285 0.295 -3.107 379 HG21 ILE 51 1HG2 ILE 51 -7.507 -0.263 -5.375 380 HG22 ILE 51 2HG2 ILE 51 -8.657 0.367 -6.553 381 HG23 ILE 51 3HG2 ILE 51 -7.347 1.391 -5.963 382 HD11 ILE 51 1HD1 ILE 51 -10.719 -1.751 -4.813 383 HD12 ILE 51 2HD1 ILE 51 -11.712 -0.296 -4.726 384 HD13 ILE 51 3HD1 ILE 51 -10.442 -0.425 -5.943 385 H GLY 52 H GLY 52 -5.835 1.934 -4.614 386 HA2 GLY 52 1HA GLY 52 -5.822 4.053 -6.240 387 HA3 GLY 52 2HA GLY 52 -5.729 4.840 -4.672 388 H PHE 53 H PHE 53 -3.681 5.650 -5.612 389 HA PHE 53 HA PHE 53 -1.516 3.673 -5.555 390 HB2 PHE 53 1HB PHE 53 -1.330 6.557 -6.432 391 HB3 PHE 53 2HB PHE 53 -0.179 5.262 -6.746 392 HD1 PHE 53 2HD PHE 53 -0.901 3.354 -8.242 393 HD2 PHE 53 1HD PHE 53 -3.082 6.994 -7.909 394 HE1 PHE 53 2HE PHE 53 -2.028 2.870 -10.375 395 HE2 PHE 53 1HE PHE 53 -4.213 6.515 -10.041 396 HZ PHE 53 HZ PHE 53 -3.686 4.451 -11.277 397 H PHE 54 H PHE 54 0.586 4.487 -4.603 398 HA PHE 54 HA PHE 54 0.546 6.491 -2.594 399 HB2 PHE 54 1HB PHE 54 0.770 5.005 -0.623 400 HB3 PHE 54 2HB PHE 54 -0.816 4.887 -1.378 401 HD1 PHE 54 2HD PHE 54 2.438 3.198 -0.975 402 HD2 PHE 54 1HD PHE 54 -1.601 2.848 -2.273 403 HE1 PHE 54 2HE PHE 54 2.711 0.760 -1.156 404 HE2 PHE 54 1HE PHE 54 -1.335 0.409 -2.455 405 HZ PHE 54 HZ PHE 54 0.823 -0.638 -1.897 406 HA PRO 55 HA PRO 55 4.884 6.092 -3.125 407 HB2 PRO 55 1HB PRO 55 5.788 7.086 -0.766 408 HB3 PRO 55 2HB PRO 55 5.079 8.101 -2.027 409 HG2 PRO 55 1HG PRO 55 3.818 7.012 0.461 410 HG3 PRO 55 2HG PRO 55 3.683 8.634 -0.245 411 HD2 PRO 55 1HD PRO 55 1.764 6.748 -0.550 412 HD3 PRO 55 2HD PRO 55 2.112 7.966 -1.793 413 H ALA 56 H ALA 56 6.535 4.677 -2.748 414 HA ALA 56 HA ALA 56 5.961 2.354 -1.171 415 HB1 ALA 56 1HB ALA 56 7.126 1.685 -2.996 416 HB2 ALA 56 2HB ALA 56 8.068 3.175 -3.079 417 HB3 ALA 56 3HB ALA 56 8.491 1.929 -1.906 418 H ASN 57 H ASN 57 7.596 5.318 -0.628 419 HA ASN 57 HA ASN 57 9.351 4.379 1.436 420 HB2 ASN 57 1HB ASN 57 10.122 6.546 1.570 421 HB3 ASN 57 2HB ASN 57 9.469 6.550 -0.065 422 HD21 ASN 57 1HD2 ASN 57 7.723 7.795 -0.541 423 HD22 ASN 57 2HD2 ASN 57 7.009 8.907 0.572 424 H PHE 58 H PHE 58 6.074 4.714 1.313 425 HA PHE 58 HA PHE 58 5.801 5.546 4.110 426 HB2 PHE 58 1HB PHE 58 3.981 5.484 1.757 427 HB3 PHE 58 2HB PHE 58 3.257 5.250 3.345 428 HD1 PHE 58 2HD PHE 58 5.929 7.472 1.977 429 HD2 PHE 58 1HD PHE 58 2.274 7.156 4.136 430 HE1 PHE 58 2HE PHE 58 5.932 9.906 2.332 431 HE2 PHE 58 1HE PHE 58 2.271 9.590 4.493 432 HZ PHE 58 HZ PHE 58 4.102 10.969 3.592 433 H VAL 59 H VAL 59 5.642 2.785 2.053 434 HA VAL 59 HA VAL 59 4.536 1.176 4.261 435 HB VAL 59 HB VAL 59 3.812 -0.457 2.650 436 HG11 VAL 59 1HG1 VAL 59 2.257 1.334 3.037 437 HG12 VAL 59 2HG1 VAL 59 3.060 2.347 1.836 438 HG13 VAL 59 3HG1 VAL 59 2.199 0.892 1.331 439 HG21 VAL 59 1HG2 VAL 59 4.214 0.819 0.162 440 HG22 VAL 59 2HG2 VAL 59 5.771 0.785 0.989 441 HG23 VAL 59 3HG2 VAL 59 4.882 -0.714 0.721 442 H GLN 60 H GLN 60 5.423 -0.987 4.528 443 HA GLN 60 HA GLN 60 8.166 -1.290 3.523 444 HB2 GLN 60 1HB GLN 60 8.285 -0.374 5.798 445 HB3 GLN 60 2HB GLN 60 7.293 -1.700 6.389 446 HG2 GLN 60 1HG GLN 60 8.994 -3.277 6.021 447 HG3 GLN 60 2HG GLN 60 9.924 -2.159 5.024 448 HE21 GLN 60 1HE2 GLN 60 8.899 -2.915 8.283 449 HE22 GLN 60 2HE2 GLN 60 10.144 -2.027 9.087 450 H ARG 61 H ARG 61 8.547 -3.235 2.688 451 HA ARG 61 HA ARG 61 6.787 -5.153 2.089 452 HB2 ARG 61 1HB ARG 61 9.068 -5.276 1.307 453 HB3 ARG 61 2HB ARG 61 9.654 -5.590 2.935 454 HG2 ARG 61 1HG ARG 61 7.696 -7.462 1.685 455 HG3 ARG 61 2HG ARG 61 9.402 -7.540 1.239 456 HD2 ARG 61 1HD ARG 61 9.819 -7.576 3.792 457 HD3 ARG 61 2HD ARG 61 8.118 -8.027 3.900 458 HE ARG 61 HE ARG 61 8.665 -10.113 3.142 459 HH11 ARG 61 2HH1 ARG 61 11.287 -7.932 2.446 460 HH12 ARG 61 1HH1 ARG 61 12.356 -9.183 1.903 461 HH21 ARG 61 2HH2 ARG 61 10.063 -11.769 2.431 462 HH22 ARG 61 1HH2 ARG 61 11.659 -11.365 1.894 463 H LEU 62 H LEU 62 5.709 -6.813 3.018 464 HA LEU 62 HA LEU 62 5.900 -7.039 5.933 465 HB2 LEU 62 1HB LEU 62 3.724 -6.622 4.515 466 HB3 LEU 62 2HB LEU 62 3.770 -8.374 4.331 467 HG LEU 62 HG LEU 62 3.679 -6.923 6.976 468 HD11 LEU 62 1HD1 LEU 62 1.425 -7.071 6.995 469 HD12 LEU 62 2HD1 LEU 62 1.400 -8.543 6.025 470 HD13 LEU 62 3HD1 LEU 62 1.636 -6.979 5.246 471 HD21 LEU 62 1HD2 LEU 62 4.288 -9.624 6.246 472 HD22 LEU 62 2HD2 LEU 62 2.779 -9.581 7.160 473 HD23 LEU 62 3HD2 LEU 62 4.247 -8.883 7.846 474 H SER 63 H SER 63 6.989 -8.678 6.770 475 HA SER 63 HA SER 63 8.131 -10.756 5.301 476 HB2 SER 63 1HB SER 63 9.093 -10.194 7.412 477 HB3 SER 63 2HB SER 63 7.572 -10.480 8.257 478 HG SER 63 HG SER 63 7.804 -12.657 7.924 479 H GLY 64 H GLY 64 7.279 -12.516 4.420 480 HA2 GLY 64 1HA GLY 64 4.549 -13.239 4.861 481 HA3 GLY 64 2HA GLY 64 5.702 -14.097 3.850 482 HA PRO 65 HA PRO 65 4.935 -16.110 8.165 483 HB2 PRO 65 1HB PRO 65 2.753 -17.647 7.667 484 HB3 PRO 65 2HB PRO 65 2.645 -16.010 8.325 485 HG2 PRO 65 1HG PRO 65 2.277 -16.947 5.505 486 HG3 PRO 65 2HG PRO 65 1.320 -15.773 6.429 487 HD2 PRO 65 1HD PRO 65 3.190 -15.026 4.619 488 HD3 PRO 65 2HD PRO 65 2.831 -14.070 6.071 489 H SER 66 H SER 66 6.896 -17.095 7.351 490 HA SER 66 HA SER 66 6.404 -19.791 6.294 491 HB2 SER 66 1HB SER 66 7.340 -18.023 4.595 492 HB3 SER 66 2HB SER 66 8.861 -18.295 5.445 493 HG SER 66 HG SER 66 7.313 -20.447 4.478 494 H SER 67 H SER 67 7.250 -21.306 7.551 495 HA SER 67 HA SER 67 9.817 -21.046 8.784 496 HB2 SER 67 1HB SER 67 9.020 -21.259 11.128 497 HB3 SER 67 2HB SER 67 8.560 -19.723 10.394 498 HG SER 67 HG SER 67 6.960 -21.354 11.569 499 H GLY 68 H GLY 68 10.257 -22.990 10.241 500 HA2 GLY 68 1HA GLY 68 8.576 -25.296 9.910 501 HA3 GLY 68 2HA GLY 68 9.995 -25.342 8.874 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -1.760 -11.023 -9.349 2 HA2 GLY 1 1HA GLY 1 -4.094 -9.682 -10.397 3 HA3 GLY 1 2HA GLY 1 -3.119 -10.473 -11.627 4 H SER 2 H SER 2 -4.298 -12.190 -12.218 5 HA SER 2 HA SER 2 -5.716 -13.769 -10.241 6 HB2 SER 2 1HB SER 2 -5.482 -14.030 -13.247 7 HB3 SER 2 2HB SER 2 -6.460 -15.093 -12.234 8 HG SER 2 HG SER 2 -7.288 -12.832 -11.497 9 H SER 3 H SER 3 -3.211 -14.384 -12.702 10 HA SER 3 HA SER 3 -2.648 -17.018 -12.051 11 HB2 SER 3 1HB SER 3 -1.761 -15.681 -14.022 12 HB3 SER 3 2HB SER 3 -0.555 -15.019 -12.920 13 HG SER 3 HG SER 3 -0.619 -17.430 -14.149 14 H GLY 4 H GLY 4 -1.864 -17.953 -10.288 15 HA2 GLY 4 1HA GLY 4 0.073 -18.032 -8.746 16 HA3 GLY 4 2HA GLY 4 -0.201 -16.318 -8.471 17 H SER 5 H SER 5 -0.046 -18.003 -6.336 18 HA SER 5 HA SER 5 -2.824 -18.488 -5.516 19 HB2 SER 5 1HB SER 5 -0.944 -20.273 -5.336 20 HB3 SER 5 2HB SER 5 -0.412 -19.343 -3.936 21 HG SER 5 HG SER 5 -2.930 -20.585 -4.331 22 H SER 6 H SER 6 0.196 -17.034 -4.327 23 HA SER 6 HA SER 6 -1.437 -15.235 -2.662 24 HB2 SER 6 1HB SER 6 -0.095 -17.063 -1.424 25 HB3 SER 6 2HB SER 6 1.328 -16.116 -1.856 26 HG SER 6 HG SER 6 -0.119 -15.735 0.219 27 H GLY 7 H GLY 7 -0.447 -13.150 -2.203 28 HA2 GLY 7 1HA GLY 7 1.502 -12.357 -4.278 29 HA3 GLY 7 2HA GLY 7 0.114 -11.363 -3.863 30 H ASN 8 H ASN 8 2.345 -10.036 -3.736 31 HA ASN 8 HA ASN 8 3.687 -10.265 -1.204 32 HB2 ASN 8 1HB ASN 8 3.795 -7.993 -3.200 33 HB3 ASN 8 2HB ASN 8 4.946 -8.314 -1.906 34 HD21 ASN 8 1HD2 ASN 8 4.376 -8.648 -5.128 35 HD22 ASN 8 2HD2 ASN 8 5.479 -9.930 -5.482 36 H THR 9 H THR 9 3.090 -9.392 0.663 37 HA THR 9 HA THR 9 0.917 -7.415 0.651 38 HB THR 9 HB THR 9 1.874 -8.951 3.061 39 HG1 THR 9 1HG THR 9 0.890 -10.661 2.310 40 HG21 THR 9 1HG2 THR 9 -0.941 -8.111 2.638 41 HG22 THR 9 2HG2 THR 9 0.237 -6.845 2.984 42 HG23 THR 9 3HG2 THR 9 0.012 -8.174 4.120 43 H TYR 10 H TYR 10 1.088 -5.478 1.722 44 HA TYR 10 HA TYR 10 3.652 -4.854 3.009 45 HB2 TYR 10 1HB TYR 10 2.293 -3.239 0.848 46 HB3 TYR 10 2HB TYR 10 3.574 -2.603 1.874 47 HD1 TYR 10 2HD TYR 10 2.861 -5.437 -0.446 48 HD2 TYR 10 1HD TYR 10 5.780 -2.809 1.188 49 HE1 TYR 10 2HE TYR 10 4.542 -6.355 -1.989 50 HE2 TYR 10 1HE TYR 10 7.470 -3.718 -0.351 51 HH TYR 10 HH TYR 10 7.707 -6.095 -1.627 52 H VAL 11 H VAL 11 3.467 -3.742 4.857 53 HA VAL 11 HA VAL 11 0.784 -2.869 5.655 54 HB VAL 11 HB VAL 11 1.796 -4.413 7.200 55 HG11 VAL 11 1HG1 VAL 11 4.184 -2.991 6.559 56 HG12 VAL 11 2HG1 VAL 11 3.946 -2.954 8.308 57 HG13 VAL 11 3HG1 VAL 11 3.999 -4.498 7.456 58 HG21 VAL 11 1HG2 VAL 11 1.920 -2.937 9.257 59 HG22 VAL 11 2HG2 VAL 11 1.695 -1.567 8.170 60 HG23 VAL 11 3HG2 VAL 11 0.449 -2.809 8.292 61 H ALA 12 H ALA 12 0.288 -0.786 5.949 62 HA ALA 12 HA ALA 12 2.087 1.257 5.142 63 HB1 ALA 12 1HB ALA 12 -0.169 1.685 4.701 64 HB2 ALA 12 2HB ALA 12 -0.660 1.281 6.347 65 HB3 ALA 12 3HB ALA 12 0.229 2.772 6.032 66 H LEU 13 H LEU 13 3.667 2.123 6.299 67 HA LEU 13 HA LEU 13 3.904 1.678 9.116 68 HB2 LEU 13 1HB LEU 13 5.513 3.445 7.279 69 HB3 LEU 13 2HB LEU 13 5.950 3.019 8.932 70 HG LEU 13 HG LEU 13 5.629 0.962 6.759 71 HD11 LEU 13 1HD1 LEU 13 7.844 2.832 7.286 72 HD12 LEU 13 2HD1 LEU 13 7.402 1.977 5.809 73 HD13 LEU 13 3HD1 LEU 13 8.292 1.139 7.080 74 HD21 LEU 13 1HD2 LEU 13 5.613 0.439 9.295 75 HD22 LEU 13 2HD2 LEU 13 7.343 0.772 9.205 76 HD23 LEU 13 3HD2 LEU 13 6.639 -0.517 8.227 77 H TYR 14 H TYR 14 2.976 4.379 7.069 78 HA TYR 14 HA TYR 14 2.073 5.803 9.473 79 HB2 TYR 14 1HB TYR 14 3.143 7.397 7.186 80 HB3 TYR 14 2HB TYR 14 3.071 7.802 8.897 81 HD1 TYR 14 2HD TYR 14 4.803 7.038 10.431 82 HD2 TYR 14 1HD TYR 14 4.989 6.111 6.283 83 HE1 TYR 14 2HE TYR 14 7.164 6.398 10.686 84 HE2 TYR 14 1HE TYR 14 7.350 5.466 6.526 85 HH TYR 14 HH TYR 14 9.010 5.066 7.973 86 H LYS 15 H LYS 15 0.522 7.597 8.895 87 HA LYS 15 HA LYS 15 -1.498 6.517 7.145 88 HB2 LYS 15 1HB LYS 15 -2.390 7.425 9.107 89 HB3 LYS 15 2HB LYS 15 -1.358 8.847 9.032 90 HG2 LYS 15 1HG LYS 15 -2.651 9.810 7.302 91 HG3 LYS 15 2HG LYS 15 -3.533 8.306 7.030 92 HD2 LYS 15 1HD LYS 15 -4.558 8.496 9.235 93 HD3 LYS 15 2HD LYS 15 -3.649 9.978 9.542 94 HE2 LYS 15 1HE LYS 15 -4.894 11.206 8.026 95 HE3 LYS 15 2HE LYS 15 -5.405 9.776 7.131 96 HZ1 LYS 15 1HZ LYS 15 -7.289 10.422 8.294 97 HZ2 LYS 15 2HZ LYS 15 -6.431 10.800 9.702 98 HZ3 LYS 15 3HZ LYS 15 -6.657 9.184 9.258 99 H PHE 16 H PHE 16 -2.293 7.419 5.266 100 HA PHE 16 HA PHE 16 -0.623 9.532 4.072 101 HB2 PHE 16 1HB PHE 16 -0.431 7.285 2.997 102 HB3 PHE 16 2HB PHE 16 -2.148 7.365 2.614 103 HD1 PHE 16 2HD PHE 16 -2.976 9.027 0.993 104 HD2 PHE 16 1HD PHE 16 1.180 8.481 1.729 105 HE1 PHE 16 2HE PHE 16 -2.454 10.215 -1.097 106 HE2 PHE 16 1HE PHE 16 1.709 9.669 -0.360 107 HZ PHE 16 HZ PHE 16 -0.109 10.537 -1.777 108 H VAL 17 H VAL 17 -1.590 11.285 3.184 109 HA VAL 17 HA VAL 17 -4.523 11.428 3.408 110 HB VAL 17 HB VAL 17 -2.534 13.702 3.457 111 HG11 VAL 17 1HG1 VAL 17 -4.622 14.432 2.524 112 HG12 VAL 17 2HG1 VAL 17 -5.527 13.644 3.818 113 HG13 VAL 17 3HG1 VAL 17 -4.505 15.036 4.176 114 HG21 VAL 17 1HG2 VAL 17 -3.760 12.043 5.576 115 HG22 VAL 17 2HG2 VAL 17 -2.207 12.878 5.545 116 HG23 VAL 17 3HG2 VAL 17 -3.687 13.780 5.872 117 HA PRO 18 HA PRO 18 -3.952 11.547 -1.106 118 HB2 PRO 18 1HB PRO 18 -6.474 10.702 -1.650 119 HB3 PRO 18 2HB PRO 18 -5.157 9.595 -1.245 120 HG2 PRO 18 1HG PRO 18 -7.339 10.663 0.504 121 HG3 PRO 18 2HG PRO 18 -6.694 9.015 0.400 122 HD2 PRO 18 1HD PRO 18 -5.980 10.737 2.363 123 HD3 PRO 18 2HD PRO 18 -4.870 9.510 1.719 124 H GLN 19 H GLN 19 -4.067 13.484 -2.038 125 HA GLN 19 HA GLN 19 -5.927 15.487 -1.185 126 HB2 GLN 19 1HB GLN 19 -3.747 16.209 -1.857 127 HB3 GLN 19 2HB GLN 19 -3.892 15.400 -3.411 128 HG2 GLN 19 1HG GLN 19 -4.311 17.535 -4.052 129 HG3 GLN 19 2HG GLN 19 -5.953 17.016 -3.675 130 HE21 GLN 19 1HE2 GLN 19 -4.621 19.679 -3.649 131 HE22 GLN 19 2HE2 GLN 19 -4.932 20.317 -2.074 132 H GLU 20 H GLU 20 -5.739 13.205 -3.817 133 HA GLU 20 HA GLU 20 -8.406 14.072 -4.688 134 HB2 GLU 20 1HB GLU 20 -5.943 13.771 -6.348 135 HB3 GLU 20 2HB GLU 20 -7.488 13.320 -7.055 136 HG2 GLU 20 1HG GLU 20 -8.322 15.605 -6.407 137 HG3 GLU 20 2HG GLU 20 -6.652 16.011 -6.017 138 H ASN 21 H ASN 21 -9.606 12.410 -5.848 139 HA ASN 21 HA ASN 21 -9.828 10.025 -4.575 140 HB2 ASN 21 1HB ASN 21 -10.491 10.857 -7.375 141 HB3 ASN 21 2HB ASN 21 -10.714 9.176 -6.899 142 HD21 ASN 21 1HD2 ASN 21 -12.845 8.964 -6.743 143 HD22 ASN 21 2HD2 ASN 21 -13.878 9.948 -5.767 144 H GLU 22 H GLU 22 -7.919 10.588 -7.526 145 HA GLU 22 HA GLU 22 -6.976 8.126 -8.113 146 HB2 GLU 22 1HB GLU 22 -5.301 10.641 -7.988 147 HB3 GLU 22 2HB GLU 22 -4.887 9.186 -8.883 148 HG2 GLU 22 1HG GLU 22 -7.152 11.087 -9.404 149 HG3 GLU 22 2HG GLU 22 -5.763 10.743 -10.433 150 H ASP 23 H ASP 23 -5.672 10.243 -5.577 151 HA ASP 23 HA ASP 23 -3.657 8.448 -4.722 152 HB2 ASP 23 1HB ASP 23 -4.999 10.800 -3.391 153 HB3 ASP 23 2HB ASP 23 -3.720 9.876 -2.608 154 H LEU 24 H LEU 24 -3.575 7.122 -2.872 155 HA LEU 24 HA LEU 24 -6.210 6.122 -2.030 156 HB2 LEU 24 1HB LEU 24 -5.200 4.286 -2.924 157 HB3 LEU 24 2HB LEU 24 -3.578 4.846 -2.519 158 HG LEU 24 HG LEU 24 -4.164 4.276 -0.103 159 HD11 LEU 24 1HD1 LEU 24 -6.002 2.200 -0.787 160 HD12 LEU 24 2HD1 LEU 24 -6.666 3.756 -1.284 161 HD13 LEU 24 3HD1 LEU 24 -6.179 3.501 0.391 162 HD21 LEU 24 1HD2 LEU 24 -2.675 2.747 -0.792 163 HD22 LEU 24 2HD2 LEU 24 -3.485 2.507 -2.340 164 HD23 LEU 24 3HD2 LEU 24 -4.072 1.676 -0.898 165 H GLU 25 H GLU 25 -6.724 5.922 0.109 166 HA GLU 25 HA GLU 25 -4.989 7.356 1.971 167 HB2 GLU 25 1HB GLU 25 -7.572 7.700 1.623 168 HB3 GLU 25 2HB GLU 25 -7.699 6.321 2.706 169 HG2 GLU 25 1HG GLU 25 -6.635 7.478 4.465 170 HG3 GLU 25 2HG GLU 25 -6.110 8.773 3.391 171 H MET 26 H MET 26 -3.937 6.417 3.620 172 HA MET 26 HA MET 26 -4.634 3.682 4.395 173 HB2 MET 26 1HB MET 26 -2.002 3.378 4.494 174 HB3 MET 26 2HB MET 26 -2.915 3.032 3.031 175 HG2 MET 26 1HG MET 26 -2.403 5.402 2.314 176 HG3 MET 26 2HG MET 26 -1.260 5.455 3.653 177 HE1 MET 26 1HE MET 26 0.862 5.441 3.226 178 HE2 MET 26 2HE MET 26 1.809 4.495 2.078 179 HE3 MET 26 3HE MET 26 0.889 5.894 1.522 180 H ARG 27 H ARG 27 -3.514 3.018 6.422 181 HA ARG 27 HA ARG 27 -2.759 5.299 8.109 182 HB2 ARG 27 1HB ARG 27 -4.074 3.997 9.959 183 HB3 ARG 27 2HB ARG 27 -4.931 5.069 8.860 184 HG2 ARG 27 1HG ARG 27 -5.243 2.902 7.442 185 HG3 ARG 27 2HG ARG 27 -4.918 2.093 8.977 186 HD2 ARG 27 1HD ARG 27 -7.024 4.213 8.581 187 HD3 ARG 27 2HD ARG 27 -7.337 2.479 8.514 188 HE ARG 27 HE ARG 27 -6.081 2.961 10.931 189 HH11 ARG 27 2HH1 ARG 27 -9.026 3.907 9.335 190 HH12 ARG 27 1HH1 ARG 27 -9.918 4.095 10.809 191 HH21 ARG 27 2HH2 ARG 27 -7.244 3.205 12.878 192 HH22 ARG 27 1HH2 ARG 27 -8.903 3.697 12.823 193 HA PRO 28 HA PRO 28 0.493 2.767 9.610 194 HB2 PRO 28 1HB PRO 28 0.655 3.533 12.210 195 HB3 PRO 28 2HB PRO 28 1.173 4.564 10.871 196 HG2 PRO 28 1HG PRO 28 -1.389 4.613 12.419 197 HG3 PRO 28 2HG PRO 28 -0.376 5.969 11.889 198 HD2 PRO 28 1HD PRO 28 -2.631 5.236 10.581 199 HD3 PRO 28 2HD PRO 28 -1.225 5.929 9.747 200 H GLY 29 H GLY 29 -0.486 0.699 9.421 201 HA2 GLY 29 1HA GLY 29 -0.415 -1.175 11.158 202 HA3 GLY 29 2HA GLY 29 -1.769 -0.314 11.875 203 H ASP 30 H ASP 30 -1.916 0.017 8.567 204 HA ASP 30 HA ASP 30 -4.032 -1.991 8.417 205 HB2 ASP 30 1HB ASP 30 -3.357 0.486 6.900 206 HB3 ASP 30 2HB ASP 30 -4.255 -0.777 6.062 207 H ILE 31 H ILE 31 -4.226 -3.315 6.456 208 HA ILE 31 HA ILE 31 -1.574 -4.201 5.539 209 HB ILE 31 HB ILE 31 -4.145 -5.782 5.508 210 HG12 ILE 31 1HG1 ILE 31 -3.036 -5.089 7.793 211 HG13 ILE 31 2HG1 ILE 31 -3.602 -6.736 7.542 212 HG21 ILE 31 1HG2 ILE 31 -2.404 -7.678 5.327 213 HG22 ILE 31 2HG2 ILE 31 -2.768 -6.721 3.892 214 HG23 ILE 31 3HG2 ILE 31 -1.300 -6.402 4.815 215 HD11 ILE 31 1HD1 ILE 31 -0.765 -5.952 6.994 216 HD12 ILE 31 2HD1 ILE 31 -1.314 -6.412 8.606 217 HD13 ILE 31 3HD1 ILE 31 -1.437 -7.558 7.271 218 H ILE 32 H ILE 32 -1.060 -3.633 3.541 219 HA ILE 32 HA ILE 32 -3.213 -3.157 1.597 220 HB ILE 32 HB ILE 32 -0.338 -2.234 1.532 221 HG12 ILE 32 1HG1 ILE 32 -2.697 -0.405 1.704 222 HG13 ILE 32 2HG1 ILE 32 -2.150 -1.219 3.166 223 HG21 ILE 32 1HG2 ILE 32 -1.328 -2.668 -0.700 224 HG22 ILE 32 2HG2 ILE 32 -2.601 -1.509 -0.320 225 HG23 ILE 32 3HG2 ILE 32 -0.925 -0.972 -0.429 226 HD11 ILE 32 1HD1 ILE 32 -0.599 0.681 1.434 227 HD12 ILE 32 2HD1 ILE 32 -1.121 0.912 3.102 228 HD13 ILE 32 3HD1 ILE 32 0.124 -0.277 2.725 229 H THR 33 H THR 33 -3.272 -4.200 -0.345 230 HA THR 33 HA THR 33 -1.466 -6.497 -0.622 231 HB THR 33 HB THR 33 -4.041 -6.013 -2.125 232 HG1 THR 33 1HG THR 33 -4.794 -7.660 -0.527 233 HG21 THR 33 1HG2 THR 33 -2.944 -8.715 -1.568 234 HG22 THR 33 2HG2 THR 33 -2.110 -7.736 -2.774 235 HG23 THR 33 3HG2 THR 33 -3.819 -8.117 -2.977 236 H LEU 34 H LEU 34 0.300 -5.821 -1.721 237 HA LEU 34 HA LEU 34 0.318 -3.886 -3.764 238 HB2 LEU 34 1HB LEU 34 2.250 -4.870 -2.347 239 HB3 LEU 34 2HB LEU 34 2.328 -6.100 -3.607 240 HG LEU 34 HG LEU 34 2.626 -4.183 -5.251 241 HD11 LEU 34 1HD1 LEU 34 2.261 -2.152 -4.406 242 HD12 LEU 34 2HD1 LEU 34 3.861 -2.303 -3.680 243 HD13 LEU 34 3HD1 LEU 34 2.425 -2.715 -2.743 244 HD21 LEU 34 1HD2 LEU 34 4.933 -4.138 -3.401 245 HD22 LEU 34 2HD2 LEU 34 4.871 -4.461 -5.134 246 HD23 LEU 34 3HD2 LEU 34 4.410 -5.718 -3.984 247 H LEU 35 H LEU 35 -0.573 -4.025 -5.705 248 HA LEU 35 HA LEU 35 -0.856 -6.669 -6.956 249 HB2 LEU 35 1HB LEU 35 -2.240 -4.134 -7.788 250 HB3 LEU 35 2HB LEU 35 -2.653 -5.790 -8.226 251 HG LEU 35 HG LEU 35 -2.880 -4.712 -5.422 252 HD11 LEU 35 1HD1 LEU 35 -4.680 -4.458 -7.745 253 HD12 LEU 35 2HD1 LEU 35 -4.524 -3.447 -6.309 254 HD13 LEU 35 3HD1 LEU 35 -5.426 -4.960 -6.228 255 HD21 LEU 35 1HD2 LEU 35 -4.491 -6.972 -6.446 256 HD22 LEU 35 2HD2 LEU 35 -3.790 -6.707 -4.849 257 HD23 LEU 35 3HD2 LEU 35 -2.774 -7.272 -6.177 258 H GLU 36 H GLU 36 0.068 -3.315 -7.672 259 HA GLU 36 HA GLU 36 1.580 -4.322 -9.994 260 HB2 GLU 36 1HB GLU 36 -0.416 -2.647 -10.282 261 HB3 GLU 36 2HB GLU 36 0.757 -1.455 -9.741 262 HG2 GLU 36 1HG GLU 36 0.908 -1.359 -12.048 263 HG3 GLU 36 2HG GLU 36 2.265 -2.386 -11.590 264 H ASP 37 H ASP 37 3.715 -3.988 -10.035 265 HA ASP 37 HA ASP 37 4.870 -2.031 -8.168 266 HB2 ASP 37 1HB ASP 37 6.639 -3.583 -7.571 267 HB3 ASP 37 2HB ASP 37 5.074 -4.315 -7.224 268 H SER 38 H SER 38 4.330 -2.194 -11.145 269 HA SER 38 HA SER 38 6.585 -2.557 -12.669 270 HB2 SER 38 1HB SER 38 4.328 -0.577 -12.913 271 HB3 SER 38 2HB SER 38 5.621 -0.649 -14.109 272 HG SER 38 HG SER 38 3.761 -1.962 -14.612 273 H ASN 39 H ASN 39 5.684 0.294 -10.776 274 HA ASN 39 HA ASN 39 8.111 1.688 -11.530 275 HB2 ASN 39 1HB ASN 39 6.131 2.546 -9.421 276 HB3 ASN 39 2HB ASN 39 7.240 3.555 -10.345 277 HD21 ASN 39 1HD2 ASN 39 6.534 4.468 -12.156 278 HD22 ASN 39 2HD2 ASN 39 5.029 4.119 -12.929 279 H GLU 40 H GLU 40 9.205 2.854 -9.528 280 HA GLU 40 HA GLU 40 9.844 0.743 -7.573 281 HB2 GLU 40 1HB GLU 40 11.762 1.059 -8.936 282 HB3 GLU 40 2HB GLU 40 11.606 2.809 -8.880 283 HG2 GLU 40 1HG GLU 40 13.375 2.373 -7.453 284 HG3 GLU 40 2HG GLU 40 12.005 2.568 -6.361 285 H ASP 41 H ASP 41 9.412 4.205 -8.081 286 HA ASP 41 HA ASP 41 9.810 4.932 -5.354 287 HB2 ASP 41 1HB ASP 41 8.276 6.493 -7.435 288 HB3 ASP 41 2HB ASP 41 9.074 7.121 -5.996 289 H TRP 42 H TRP 42 6.822 5.194 -7.280 290 HA TRP 42 HA TRP 42 5.297 4.678 -4.823 291 HB2 TRP 42 1HB TRP 42 4.506 5.996 -7.426 292 HB3 TRP 42 2HB TRP 42 3.371 5.635 -6.128 293 HD1 TRP 42 HD TRP 42 6.886 7.285 -5.960 294 HE1 TRP 42 1HE TRP 42 6.646 9.521 -4.708 295 HE3 TRP 42 3HE TRP 42 1.829 7.259 -5.215 296 HZ2 TRP 42 2HZ TRP 42 4.586 11.068 -3.556 297 HZ3 TRP 42 3HZ TRP 42 0.802 9.154 -4.029 298 HH2 TRP 42 HH TRP 42 2.153 11.018 -3.216 299 H TRP 43 H TRP 43 3.829 3.038 -4.682 300 HA TRP 43 HA TRP 43 3.648 1.227 -7.000 301 HB2 TRP 43 1HB TRP 43 3.831 0.520 -4.065 302 HB3 TRP 43 2HB TRP 43 3.460 -0.637 -5.340 303 HD1 TRP 43 HD TRP 43 5.709 0.695 -7.384 304 HE1 TRP 43 1HE TRP 43 8.169 0.056 -6.976 305 HE3 TRP 43 3HE TRP 43 5.348 -0.867 -2.529 306 HZ2 TRP 43 2HZ TRP 43 9.747 -0.975 -4.875 307 HZ3 TRP 43 3HZ TRP 43 7.380 -1.665 -1.393 308 HH2 TRP 43 HH TRP 43 9.533 -1.717 -2.544 309 H LYS 44 H LYS 44 1.712 -0.248 -6.872 310 HA LYS 44 HA LYS 44 -0.601 1.245 -5.821 311 HB2 LYS 44 1HB LYS 44 -0.398 1.132 -8.322 312 HB3 LYS 44 2HB LYS 44 -0.578 -0.613 -8.204 313 HG2 LYS 44 1HG LYS 44 -2.793 -0.376 -7.299 314 HG3 LYS 44 2HG LYS 44 -2.616 1.379 -7.231 315 HD2 LYS 44 1HD LYS 44 -2.456 1.478 -9.655 316 HD3 LYS 44 2HD LYS 44 -2.550 -0.283 -9.751 317 HE2 LYS 44 1HE LYS 44 -4.791 -0.211 -8.767 318 HE3 LYS 44 2HE LYS 44 -4.693 1.547 -8.669 319 HZ1 LYS 44 1HZ LYS 44 -5.905 0.504 -10.648 320 HZ2 LYS 44 2HZ LYS 44 -4.364 0.157 -11.251 321 HZ3 LYS 44 3HZ LYS 44 -4.816 1.761 -10.960 322 H GLY 45 H GLY 45 -2.362 0.049 -4.977 323 HA2 GLY 45 1HA GLY 45 -2.119 -2.819 -4.668 324 HA3 GLY 45 2HA GLY 45 -1.882 -1.908 -3.184 325 H LYS 46 H LYS 46 -3.776 -3.222 -2.524 326 HA LYS 46 HA LYS 46 -6.231 -1.735 -3.110 327 HB2 LYS 46 1HB LYS 46 -6.435 -3.651 -4.531 328 HB3 LYS 46 2HB LYS 46 -5.914 -4.734 -3.247 329 HG2 LYS 46 1HG LYS 46 -7.984 -4.068 -1.988 330 HG3 LYS 46 2HG LYS 46 -8.515 -3.243 -3.455 331 HD2 LYS 46 1HD LYS 46 -7.771 -6.162 -3.341 332 HD3 LYS 46 2HD LYS 46 -9.421 -5.559 -3.173 333 HE2 LYS 46 1HE LYS 46 -7.778 -4.746 -5.531 334 HE3 LYS 46 2HE LYS 46 -8.532 -6.340 -5.502 335 HZ1 LYS 46 1HZ LYS 46 -10.216 -5.176 -6.425 336 HZ2 LYS 46 2HZ LYS 46 -9.762 -3.707 -5.718 337 HZ3 LYS 46 3HZ LYS 46 -10.600 -4.860 -4.807 338 H ILE 47 H ILE 47 -6.963 -0.976 -1.246 339 HA ILE 47 HA ILE 47 -6.271 -2.326 1.245 340 HB ILE 47 HB ILE 47 -7.542 0.359 0.715 341 HG12 ILE 47 1HG1 ILE 47 -4.801 -0.548 1.574 342 HG13 ILE 47 2HG1 ILE 47 -5.236 0.482 0.215 343 HG21 ILE 47 1HG2 ILE 47 -8.479 -0.456 2.753 344 HG22 ILE 47 2HG2 ILE 47 -6.904 -1.005 3.323 345 HG23 ILE 47 3HG2 ILE 47 -7.234 0.720 3.171 346 HD11 ILE 47 1HD1 ILE 47 -6.095 2.089 2.072 347 HD12 ILE 47 2HD1 ILE 47 -5.016 1.152 3.106 348 HD13 ILE 47 3HD1 ILE 47 -4.373 1.998 1.699 349 H GLN 48 H GLN 48 -7.934 -2.553 2.936 350 HA GLN 48 HA GLN 48 -9.921 -4.252 2.436 351 HB2 GLN 48 1HB GLN 48 -10.033 -1.951 4.389 352 HB3 GLN 48 2HB GLN 48 -11.171 -3.291 4.392 353 HG2 GLN 48 1HG GLN 48 -9.079 -4.779 4.584 354 HG3 GLN 48 2HG GLN 48 -8.258 -3.294 5.061 355 HE21 GLN 48 1HE2 GLN 48 -8.800 -2.306 7.004 356 HE22 GLN 48 2HE2 GLN 48 -9.683 -3.130 8.239 357 H ASP 49 H ASP 49 -10.824 -0.835 2.877 358 HA ASP 49 HA ASP 49 -12.853 -1.204 0.770 359 HB2 ASP 49 1HB ASP 49 -12.977 0.274 3.386 360 HB3 ASP 49 2HB ASP 49 -14.050 0.699 2.056 361 H ARG 50 H ARG 50 -9.973 -0.048 0.953 362 HA ARG 50 HA ARG 50 -10.604 2.454 -0.471 363 HB2 ARG 50 1HB ARG 50 -8.504 1.880 1.587 364 HB3 ARG 50 2HB ARG 50 -8.200 3.094 0.351 365 HG2 ARG 50 1HG ARG 50 -10.730 3.221 1.918 366 HG3 ARG 50 2HG ARG 50 -9.222 3.762 2.657 367 HD2 ARG 50 1HD ARG 50 -9.963 5.718 1.713 368 HD3 ARG 50 2HD ARG 50 -8.956 5.085 0.412 369 HE ARG 50 HE ARG 50 -10.828 4.966 -0.877 370 HH11 ARG 50 2HH1 ARG 50 -11.794 4.918 2.467 371 HH12 ARG 50 1HH1 ARG 50 -13.489 4.939 2.113 372 HH21 ARG 50 2HH2 ARG 50 -13.058 4.994 -1.356 373 HH22 ARG 50 1HH2 ARG 50 -14.207 4.981 -0.062 374 H ILE 51 H ILE 51 -9.161 3.040 -2.177 375 HA ILE 51 HA ILE 51 -7.211 1.086 -3.069 376 HB ILE 51 HB ILE 51 -9.370 1.835 -5.017 377 HG12 ILE 51 1HG1 ILE 51 -9.311 -0.685 -3.345 378 HG13 ILE 51 2HG1 ILE 51 -10.392 0.673 -3.053 379 HG21 ILE 51 1HG2 ILE 51 -7.553 -0.564 -4.959 380 HG22 ILE 51 2HG2 ILE 51 -8.528 0.027 -6.304 381 HG23 ILE 51 3HG2 ILE 51 -7.131 0.953 -5.754 382 HD11 ILE 51 1HD1 ILE 51 -10.363 -0.620 -5.735 383 HD12 ILE 51 2HD1 ILE 51 -11.209 -1.396 -4.395 384 HD13 ILE 51 3HD1 ILE 51 -11.667 0.229 -4.906 385 H GLY 52 H GLY 52 -5.810 1.873 -4.707 386 HA2 GLY 52 1HA GLY 52 -5.732 3.931 -6.322 387 HA3 GLY 52 2HA GLY 52 -5.733 4.802 -4.796 388 H PHE 53 H PHE 53 -3.666 5.540 -5.955 389 HA PHE 53 HA PHE 53 -1.448 3.681 -5.700 390 HB2 PHE 53 1HB PHE 53 -1.229 6.593 -6.437 391 HB3 PHE 53 2HB PHE 53 -0.145 5.273 -6.861 392 HD1 PHE 53 2HD PHE 53 -0.964 3.516 -8.478 393 HD2 PHE 53 1HD PHE 53 -2.999 7.199 -7.836 394 HE1 PHE 53 2HE PHE 53 -2.149 3.230 -10.615 395 HE2 PHE 53 1HE PHE 53 -4.188 6.919 -9.972 396 HZ PHE 53 HZ PHE 53 -3.762 4.933 -11.365 397 H PHE 54 H PHE 54 0.505 4.274 -4.520 398 HA PHE 54 HA PHE 54 0.384 6.300 -2.496 399 HB2 PHE 54 1HB PHE 54 0.482 4.796 -0.561 400 HB3 PHE 54 2HB PHE 54 -1.026 4.585 -1.445 401 HD1 PHE 54 2HD PHE 54 2.166 3.066 -0.530 402 HD2 PHE 54 1HD PHE 54 -1.476 2.551 -2.672 403 HE1 PHE 54 2HE PHE 54 2.613 0.653 -0.703 404 HE2 PHE 54 1HE PHE 54 -1.035 0.137 -2.848 405 HZ PHE 54 HZ PHE 54 1.012 -0.815 -1.864 406 HA PRO 55 HA PRO 55 4.743 5.956 -2.930 407 HB2 PRO 55 1HB PRO 55 5.542 7.069 -0.587 408 HB3 PRO 55 2HB PRO 55 4.866 8.015 -1.918 409 HG2 PRO 55 1HG PRO 55 3.529 7.019 0.569 410 HG3 PRO 55 2HG PRO 55 3.397 8.604 -0.214 411 HD2 PRO 55 1HD PRO 55 1.519 6.676 -0.504 412 HD3 PRO 55 2HD PRO 55 1.895 7.842 -1.788 413 H ALA 56 H ALA 56 6.355 4.538 -2.475 414 HA ALA 56 HA ALA 56 5.768 2.300 -0.794 415 HB1 ALA 56 1HB ALA 56 8.531 2.615 -1.752 416 HB2 ALA 56 2HB ALA 56 7.424 1.250 -1.899 417 HB3 ALA 56 3HB ALA 56 7.289 2.618 -3.004 418 H ASN 57 H ASN 57 7.372 5.299 -0.346 419 HA ASN 57 HA ASN 57 9.088 4.491 1.794 420 HB2 ASN 57 1HB ASN 57 8.104 7.297 1.283 421 HB3 ASN 57 2HB ASN 57 9.612 6.796 2.042 422 HD21 ASN 57 1HD2 ASN 57 11.354 6.811 0.822 423 HD22 ASN 57 2HD2 ASN 57 11.384 6.801 -0.906 424 H PHE 58 H PHE 58 5.809 4.678 1.606 425 HA PHE 58 HA PHE 58 5.458 5.575 4.376 426 HB2 PHE 58 1HB PHE 58 3.683 5.430 1.992 427 HB3 PHE 58 2HB PHE 58 2.937 5.214 3.572 428 HD1 PHE 58 2HD PHE 58 5.492 7.478 2.055 429 HD2 PHE 58 1HD PHE 58 1.996 7.099 4.453 430 HE1 PHE 58 2HE PHE 58 5.440 9.919 2.359 431 HE2 PHE 58 1HE PHE 58 1.938 9.540 4.759 432 HZ PHE 58 HZ PHE 58 3.662 10.953 3.713 433 H VAL 59 H VAL 59 5.242 2.793 2.305 434 HA VAL 59 HA VAL 59 4.155 1.192 4.521 435 HB VAL 59 HB VAL 59 3.448 -0.434 2.954 436 HG11 VAL 59 1HG1 VAL 59 1.904 1.345 2.981 437 HG12 VAL 59 2HG1 VAL 59 2.937 2.362 1.974 438 HG13 VAL 59 3HG1 VAL 59 2.138 0.951 1.279 439 HG21 VAL 59 1HG2 VAL 59 5.133 1.044 0.942 440 HG22 VAL 59 2HG2 VAL 59 5.366 -0.598 1.539 441 HG23 VAL 59 3HG2 VAL 59 3.980 -0.221 0.517 442 H GLN 60 H GLN 60 4.996 -1.177 4.403 443 HA GLN 60 HA GLN 60 7.834 -1.309 3.737 444 HB2 GLN 60 1HB GLN 60 8.090 -0.629 5.958 445 HB3 GLN 60 2HB GLN 60 6.690 -1.543 6.501 446 HG2 GLN 60 1HG GLN 60 8.997 -3.048 5.397 447 HG3 GLN 60 2HG GLN 60 9.154 -2.333 7.000 448 HE21 GLN 60 1HE2 GLN 60 9.391 -4.747 7.382 449 HE22 GLN 60 2HE2 GLN 60 7.945 -5.602 7.787 450 H ARG 61 H ARG 61 8.353 -3.216 2.875 451 HA ARG 61 HA ARG 61 6.533 -5.152 2.184 452 HB2 ARG 61 1HB ARG 61 8.888 -4.856 1.305 453 HB3 ARG 61 2HB ARG 61 9.445 -5.727 2.727 454 HG2 ARG 61 1HG ARG 61 8.397 -7.719 2.048 455 HG3 ARG 61 2HG ARG 61 7.430 -6.886 0.830 456 HD2 ARG 61 1HD ARG 61 9.080 -7.866 -0.454 457 HD3 ARG 61 2HD ARG 61 9.735 -6.251 -0.186 458 HE ARG 61 HE ARG 61 11.494 -7.245 0.854 459 HH11 ARG 61 2HH1 ARG 61 8.739 -9.357 1.119 460 HH12 ARG 61 1HH1 ARG 61 9.613 -10.607 1.942 461 HH21 ARG 61 2HH2 ARG 61 12.654 -8.882 1.938 462 HH22 ARG 61 1HH2 ARG 61 11.839 -10.335 2.408 463 H LEU 62 H LEU 62 5.646 -6.908 3.114 464 HA LEU 62 HA LEU 62 6.202 -7.344 5.949 465 HB2 LEU 62 1HB LEU 62 3.924 -7.905 4.127 466 HB3 LEU 62 2HB LEU 62 4.143 -8.961 5.521 467 HG LEU 62 HG LEU 62 3.979 -5.978 5.824 468 HD11 LEU 62 1HD1 LEU 62 1.982 -7.112 4.590 469 HD12 LEU 62 2HD1 LEU 62 1.681 -5.990 5.916 470 HD13 LEU 62 3HD1 LEU 62 1.592 -7.729 6.195 471 HD21 LEU 62 1HD2 LEU 62 4.688 -6.838 7.828 472 HD22 LEU 62 2HD2 LEU 62 3.840 -8.368 7.599 473 HD23 LEU 62 3HD2 LEU 62 2.939 -6.918 8.043 474 H SER 63 H SER 63 7.970 -8.626 6.119 475 HA SER 63 HA SER 63 8.316 -10.934 4.412 476 HB2 SER 63 1HB SER 63 9.940 -10.012 6.796 477 HB3 SER 63 2HB SER 63 10.406 -11.275 5.657 478 HG SER 63 HG SER 63 11.339 -9.203 5.194 479 H GLY 64 H GLY 64 7.451 -12.855 4.803 480 HA2 GLY 64 1HA GLY 64 7.574 -14.538 6.817 481 HA3 GLY 64 2HA GLY 64 6.389 -13.418 7.474 482 HA PRO 65 HA PRO 65 4.576 -16.661 4.415 483 HB2 PRO 65 1HB PRO 65 3.964 -18.686 6.116 484 HB3 PRO 65 2HB PRO 65 5.494 -18.600 5.237 485 HG2 PRO 65 1HG PRO 65 4.892 -17.840 8.069 486 HG3 PRO 65 2HG PRO 65 6.287 -18.721 7.419 487 HD2 PRO 65 1HD PRO 65 6.389 -16.089 8.046 488 HD3 PRO 65 2HD PRO 65 7.339 -16.793 6.721 489 H SER 66 H SER 66 2.902 -15.109 4.364 490 HA SER 66 HA SER 66 0.777 -14.362 4.687 491 HB2 SER 66 1HB SER 66 0.506 -16.992 4.874 492 HB3 SER 66 2HB SER 66 0.137 -16.606 6.555 493 HG SER 66 HG SER 66 -1.333 -14.952 5.451 494 H SER 67 H SER 67 2.800 -13.359 6.350 495 HA SER 67 HA SER 67 1.562 -13.127 8.994 496 HB2 SER 67 1HB SER 67 4.299 -12.519 7.915 497 HB3 SER 67 2HB SER 67 3.757 -11.792 9.427 498 HG SER 67 HG SER 67 4.791 -13.715 9.897 499 H GLY 68 H GLY 68 -0.080 -11.684 8.847 500 HA2 GLY 68 1HA GLY 68 0.583 -8.914 8.613 501 HA3 GLY 68 2HA GLY 68 -0.316 -9.481 7.214 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -6.678 -9.327 -3.211 2 HA2 GLY 1 1HA GLY 1 -9.057 -7.830 -3.893 3 HA3 GLY 1 2HA GLY 1 -8.725 -9.509 -4.296 4 H SER 2 H SER 2 -11.216 -9.042 -3.583 5 HA SER 2 HA SER 2 -11.823 -9.036 -0.843 6 HB2 SER 2 1HB SER 2 -13.282 -9.783 -3.334 7 HB3 SER 2 2HB SER 2 -13.957 -10.316 -1.794 8 HG SER 2 HG SER 2 -14.493 -8.098 -2.753 9 H SER 3 H SER 3 -10.749 -10.455 0.429 10 HA SER 3 HA SER 3 -9.883 -12.449 1.187 11 HB2 SER 3 1HB SER 3 -12.427 -12.338 1.735 12 HB3 SER 3 2HB SER 3 -12.575 -13.607 0.520 13 HG SER 3 HG SER 3 -11.215 -14.898 1.742 14 H GLY 4 H GLY 4 -9.146 -12.109 -1.463 15 HA2 GLY 4 1HA GLY 4 -9.515 -14.798 -2.623 16 HA3 GLY 4 2HA GLY 4 -9.130 -13.356 -3.551 17 H SER 5 H SER 5 -7.519 -15.179 -4.240 18 HA SER 5 HA SER 5 -5.376 -15.953 -2.671 19 HB2 SER 5 1HB SER 5 -5.758 -16.891 -4.887 20 HB3 SER 5 2HB SER 5 -5.406 -15.333 -5.635 21 HG SER 5 HG SER 5 -3.596 -16.727 -5.683 22 H SER 6 H SER 6 -4.134 -14.670 -1.478 23 HA SER 6 HA SER 6 -3.337 -12.055 -2.551 24 HB2 SER 6 1HB SER 6 -3.456 -13.145 0.261 25 HB3 SER 6 2HB SER 6 -2.627 -11.639 -0.133 26 HG SER 6 HG SER 6 -5.065 -11.763 0.475 27 H GLY 7 H GLY 7 -1.220 -11.494 -2.817 28 HA2 GLY 7 1HA GLY 7 0.739 -13.669 -2.421 29 HA3 GLY 7 2HA GLY 7 0.827 -12.479 -3.711 30 H ASN 8 H ASN 8 1.920 -10.621 -3.379 31 HA ASN 8 HA ASN 8 3.509 -10.413 -0.997 32 HB2 ASN 8 1HB ASN 8 3.277 -8.430 -3.268 33 HB3 ASN 8 2HB ASN 8 4.581 -8.542 -2.091 34 HD21 ASN 8 1HD2 ASN 8 6.263 -9.821 -2.513 35 HD22 ASN 8 2HD2 ASN 8 6.377 -10.897 -3.860 36 H THR 9 H THR 9 2.955 -9.404 0.808 37 HA THR 9 HA THR 9 0.816 -7.383 0.691 38 HB THR 9 HB THR 9 0.499 -7.870 3.132 39 HG1 THR 9 1HG THR 9 1.415 -9.948 3.798 40 HG21 THR 9 1HG2 THR 9 -0.175 -10.449 2.419 41 HG22 THR 9 2HG2 THR 9 -0.152 -9.595 0.876 42 HG23 THR 9 3HG2 THR 9 -1.177 -9.017 2.189 43 H TYR 10 H TYR 10 1.018 -5.473 1.899 44 HA TYR 10 HA TYR 10 3.643 -4.917 3.077 45 HB2 TYR 10 1HB TYR 10 2.306 -3.320 0.896 46 HB3 TYR 10 2HB TYR 10 3.556 -2.642 1.932 47 HD1 TYR 10 2HD TYR 10 2.942 -5.567 -0.306 48 HD2 TYR 10 1HD TYR 10 5.769 -2.805 1.269 49 HE1 TYR 10 2HE TYR 10 4.668 -6.496 -1.792 50 HE2 TYR 10 1HE TYR 10 7.503 -3.725 -0.213 51 HH TYR 10 HH TYR 10 7.998 -5.258 -1.738 52 H VAL 11 H VAL 11 3.576 -3.674 4.869 53 HA VAL 11 HA VAL 11 0.929 -2.796 5.773 54 HB VAL 11 HB VAL 11 2.170 -4.307 7.267 55 HG11 VAL 11 1HG1 VAL 11 4.403 -3.042 6.499 56 HG12 VAL 11 2HG1 VAL 11 4.108 -2.210 8.028 57 HG13 VAL 11 3HG1 VAL 11 4.285 -3.965 7.997 58 HG21 VAL 11 1HG2 VAL 11 1.401 -3.287 9.133 59 HG22 VAL 11 2HG2 VAL 11 2.240 -1.775 8.785 60 HG23 VAL 11 3HG2 VAL 11 0.725 -2.151 7.966 61 H ALA 12 H ALA 12 0.502 -0.713 6.399 62 HA ALA 12 HA ALA 12 2.212 1.327 5.293 63 HB1 ALA 12 1HB ALA 12 -0.549 1.111 6.123 64 HB2 ALA 12 2HB ALA 12 0.191 2.601 6.709 65 HB3 ALA 12 3HB ALA 12 0.202 2.229 4.985 66 H LEU 13 H LEU 13 3.732 2.421 6.344 67 HA LEU 13 HA LEU 13 4.214 1.951 9.131 68 HB2 LEU 13 1HB LEU 13 5.545 3.791 7.151 69 HB3 LEU 13 2HB LEU 13 6.106 3.528 8.801 70 HG LEU 13 HG LEU 13 5.903 1.334 6.745 71 HD11 LEU 13 1HD1 LEU 13 7.487 2.856 5.862 72 HD12 LEU 13 2HD1 LEU 13 8.407 1.577 6.653 73 HD13 LEU 13 3HD1 LEU 13 8.206 3.139 7.447 74 HD21 LEU 13 1HD2 LEU 13 7.176 1.558 9.464 75 HD22 LEU 13 2HD2 LEU 13 7.544 0.263 8.325 76 HD23 LEU 13 3HD2 LEU 13 5.904 0.451 8.948 77 H TYR 14 H TYR 14 2.985 4.616 7.186 78 HA TYR 14 HA TYR 14 2.026 5.889 9.644 79 HB2 TYR 14 1HB TYR 14 3.087 7.663 7.491 80 HB3 TYR 14 2HB TYR 14 2.956 7.957 9.221 81 HD1 TYR 14 1HD TYR 14 4.973 6.377 6.585 82 HD2 TYR 14 2HD TYR 14 4.713 7.301 10.730 83 HE1 TYR 14 1HE TYR 14 7.352 5.813 6.853 84 HE2 TYR 14 2HE TYR 14 7.092 6.741 11.009 85 HH TYR 14 HH TYR 14 9.169 6.133 8.292 86 H LYS 15 H LYS 15 0.443 7.690 9.101 87 HA LYS 15 HA LYS 15 -1.528 6.622 7.302 88 HB2 LYS 15 1HB LYS 15 -2.413 7.529 9.285 89 HB3 LYS 15 2HB LYS 15 -1.438 8.987 9.157 90 HG2 LYS 15 1HG LYS 15 -2.767 9.748 7.281 91 HG3 LYS 15 2HG LYS 15 -3.710 8.257 7.319 92 HD2 LYS 15 1HD LYS 15 -4.769 8.832 9.310 93 HD3 LYS 15 2HD LYS 15 -3.526 10.007 9.744 94 HE2 LYS 15 1HE LYS 15 -5.096 10.474 7.263 95 HE3 LYS 15 2HE LYS 15 -5.893 10.747 8.811 96 HZ1 LYS 15 1HZ LYS 15 -3.631 12.175 7.608 97 HZ2 LYS 15 2HZ LYS 15 -3.717 12.078 9.295 98 HZ3 LYS 15 3HZ LYS 15 -4.981 12.788 8.424 99 H PHE 16 H PHE 16 -2.173 7.394 5.350 100 HA PHE 16 HA PHE 16 -0.546 9.561 4.201 101 HB2 PHE 16 1HB PHE 16 -0.311 7.318 3.139 102 HB3 PHE 16 2HB PHE 16 -2.025 7.368 2.735 103 HD1 PHE 16 2HD PHE 16 -2.859 8.901 1.036 104 HD2 PHE 16 1HD PHE 16 1.292 8.631 1.935 105 HE1 PHE 16 2HE PHE 16 -2.332 10.080 -1.058 106 HE2 PHE 16 1HE PHE 16 1.826 9.811 -0.158 107 HZ PHE 16 HZ PHE 16 0.012 10.536 -1.658 108 H VAL 17 H VAL 17 -1.517 11.217 3.062 109 HA VAL 17 HA VAL 17 -4.454 11.364 3.281 110 HB VAL 17 HB VAL 17 -2.494 13.660 3.413 111 HG11 VAL 17 1HG1 VAL 17 -4.876 13.952 2.400 112 HG12 VAL 17 2HG1 VAL 17 -5.398 13.854 4.083 113 HG13 VAL 17 3HG1 VAL 17 -4.275 15.117 3.579 114 HG21 VAL 17 1HG2 VAL 17 -2.404 12.339 5.437 115 HG22 VAL 17 2HG2 VAL 17 -3.243 13.856 5.759 116 HG23 VAL 17 3HG2 VAL 17 -4.163 12.364 5.566 117 HA PRO 18 HA PRO 18 -3.737 11.493 -1.206 118 HB2 PRO 18 1HB PRO 18 -6.248 10.677 -1.836 119 HB3 PRO 18 2HB PRO 18 -4.958 9.556 -1.385 120 HG2 PRO 18 1HG PRO 18 -7.187 10.651 0.287 121 HG3 PRO 18 2HG PRO 18 -6.558 8.995 0.207 122 HD2 PRO 18 1HD PRO 18 -5.891 10.712 2.192 123 HD3 PRO 18 2HD PRO 18 -4.775 9.471 1.587 124 H GLN 19 H GLN 19 -3.691 13.551 -1.899 125 HA GLN 19 HA GLN 19 -5.552 15.544 -1.181 126 HB2 GLN 19 1HB GLN 19 -3.117 15.714 -2.149 127 HB3 GLN 19 2HB GLN 19 -3.946 15.733 -3.700 128 HG2 GLN 19 1HG GLN 19 -5.318 17.650 -2.803 129 HG3 GLN 19 2HG GLN 19 -4.191 17.703 -1.449 130 HE21 GLN 19 1HE2 GLN 19 -4.656 18.321 -4.819 131 HE22 GLN 19 2HE2 GLN 19 -3.179 19.178 -5.081 132 H GLU 20 H GLU 20 -5.560 13.130 -3.644 133 HA GLU 20 HA GLU 20 -8.184 14.048 -4.522 134 HB2 GLU 20 1HB GLU 20 -5.948 13.460 -6.469 135 HB3 GLU 20 2HB GLU 20 -7.613 13.829 -6.894 136 HG2 GLU 20 1HG GLU 20 -5.922 15.739 -5.322 137 HG3 GLU 20 2HG GLU 20 -5.899 15.699 -7.084 138 H ASN 21 H ASN 21 -9.432 12.411 -5.578 139 HA ASN 21 HA ASN 21 -9.525 9.971 -4.444 140 HB2 ASN 21 1HB ASN 21 -10.094 10.217 -7.389 141 HB3 ASN 21 2HB ASN 21 -10.946 9.259 -6.182 142 HD21 ASN 21 1HD2 ASN 21 -10.700 12.274 -7.758 143 HD22 ASN 21 2HD2 ASN 21 -12.002 13.065 -6.944 144 H GLU 22 H GLU 22 -7.730 10.714 -7.424 145 HA GLU 22 HA GLU 22 -6.762 8.352 -8.229 146 HB2 GLU 22 1HB GLU 22 -5.094 10.841 -7.824 147 HB3 GLU 22 2HB GLU 22 -4.638 9.477 -8.834 148 HG2 GLU 22 1HG GLU 22 -6.241 9.952 -10.431 149 HG3 GLU 22 2HG GLU 22 -7.215 10.907 -9.314 150 H ASP 23 H ASP 23 -5.371 10.195 -5.522 151 HA ASP 23 HA ASP 23 -3.490 8.165 -4.837 152 HB2 ASP 23 1HB ASP 23 -4.511 10.501 -3.207 153 HB3 ASP 23 2HB ASP 23 -3.112 9.511 -2.803 154 H LEU 24 H LEU 24 -3.458 7.054 -2.726 155 HA LEU 24 HA LEU 24 -6.168 6.189 -1.962 156 HB2 LEU 24 1HB LEU 24 -5.156 4.317 -2.884 157 HB3 LEU 24 2HB LEU 24 -3.577 4.720 -2.213 158 HG LEU 24 HG LEU 24 -4.640 4.194 0.069 159 HD11 LEU 24 1HD1 LEU 24 -6.678 3.059 -1.819 160 HD12 LEU 24 2HD1 LEU 24 -6.931 4.090 -0.411 161 HD13 LEU 24 3HD1 LEU 24 -6.438 2.410 -0.197 162 HD21 LEU 24 1HD2 LEU 24 -4.577 1.603 -1.090 163 HD22 LEU 24 2HD2 LEU 24 -3.331 2.418 -0.145 164 HD23 LEU 24 3HD2 LEU 24 -3.366 2.599 -1.899 165 H GLU 25 H GLU 25 -6.694 5.991 0.195 166 HA GLU 25 HA GLU 25 -4.916 7.412 2.033 167 HB2 GLU 25 1HB GLU 25 -7.434 7.945 1.668 168 HB3 GLU 25 2HB GLU 25 -7.713 6.544 2.692 169 HG2 GLU 25 1HG GLU 25 -6.715 7.549 4.546 170 HG3 GLU 25 2HG GLU 25 -5.921 8.779 3.564 171 H MET 26 H MET 26 -3.754 6.366 3.501 172 HA MET 26 HA MET 26 -4.664 3.725 4.416 173 HB2 MET 26 1HB MET 26 -2.027 3.324 4.519 174 HB3 MET 26 2HB MET 26 -2.985 2.930 3.098 175 HG2 MET 26 1HG MET 26 -2.394 5.140 2.149 176 HG3 MET 26 2HG MET 26 -1.340 5.410 3.535 177 HE1 MET 26 1HE MET 26 0.734 5.364 3.387 178 HE2 MET 26 2HE MET 26 1.820 4.161 2.690 179 HE3 MET 26 3HE MET 26 1.200 5.475 1.689 180 H ARG 27 H ARG 27 -3.701 3.058 6.478 181 HA ARG 27 HA ARG 27 -2.820 5.336 8.120 182 HB2 ARG 27 1HB ARG 27 -5.082 3.451 8.555 183 HB3 ARG 27 2HB ARG 27 -4.148 3.938 9.964 184 HG2 ARG 27 1HG ARG 27 -4.642 6.254 9.559 185 HG3 ARG 27 2HG ARG 27 -5.444 5.854 8.038 186 HD2 ARG 27 1HD ARG 27 -7.178 4.665 9.206 187 HD3 ARG 27 2HD ARG 27 -6.334 4.861 10.742 188 HE ARG 27 HE ARG 27 -6.733 7.410 9.865 189 HH11 ARG 27 2HH1 ARG 27 -8.797 4.667 10.448 190 HH12 ARG 27 1HH1 ARG 27 -10.176 5.629 10.867 191 HH21 ARG 27 2HH2 ARG 27 -8.542 8.687 10.416 192 HH22 ARG 27 1HH2 ARG 27 -10.030 7.915 10.848 193 HA PRO 28 HA PRO 28 0.390 2.787 9.681 194 HB2 PRO 28 1HB PRO 28 0.488 3.491 12.301 195 HB3 PRO 28 2HB PRO 28 1.031 4.556 10.999 196 HG2 PRO 28 1HG PRO 28 -1.566 4.558 12.488 197 HG3 PRO 28 2HG PRO 28 -0.547 5.930 12.014 198 HD2 PRO 28 1HD PRO 28 -2.767 5.219 10.637 199 HD3 PRO 28 2HD PRO 28 -1.346 5.938 9.852 200 H GLY 29 H GLY 29 -0.455 0.695 9.465 201 HA2 GLY 29 1HA GLY 29 -0.460 -1.231 11.085 202 HA3 GLY 29 2HA GLY 29 -1.778 -0.380 11.879 203 H ASP 30 H ASP 30 -1.969 0.052 8.569 204 HA ASP 30 HA ASP 30 -4.123 -1.923 8.405 205 HB2 ASP 30 1HB ASP 30 -3.491 0.616 6.957 206 HB3 ASP 30 2HB ASP 30 -4.481 -0.598 6.151 207 H ILE 31 H ILE 31 -4.304 -3.368 6.654 208 HA ILE 31 HA ILE 31 -1.720 -4.159 5.546 209 HB ILE 31 HB ILE 31 -4.347 -5.641 5.416 210 HG12 ILE 31 1HG1 ILE 31 -3.260 -5.154 7.739 211 HG13 ILE 31 2HG1 ILE 31 -3.793 -6.789 7.362 212 HG21 ILE 31 1HG2 ILE 31 -2.834 -6.354 3.694 213 HG22 ILE 31 2HG2 ILE 31 -1.509 -6.478 4.849 214 HG23 ILE 31 3HG2 ILE 31 -2.874 -7.589 4.952 215 HD11 ILE 31 1HD1 ILE 31 -1.634 -7.572 7.120 216 HD12 ILE 31 2HD1 ILE 31 -0.973 -5.960 6.841 217 HD13 ILE 31 3HD1 ILE 31 -1.492 -6.433 8.459 218 H ILE 32 H ILE 32 -1.199 -3.987 3.452 219 HA ILE 32 HA ILE 32 -3.320 -3.194 1.564 220 HB ILE 32 HB ILE 32 -0.448 -2.256 1.572 221 HG12 ILE 32 1HG1 ILE 32 -2.806 -0.436 1.806 222 HG13 ILE 32 2HG1 ILE 32 -2.290 -1.327 3.233 223 HG21 ILE 32 1HG2 ILE 32 -2.708 -1.476 -0.266 224 HG22 ILE 32 2HG2 ILE 32 -1.047 -0.887 -0.325 225 HG23 ILE 32 3HG2 ILE 32 -1.396 -2.578 -0.687 226 HD11 ILE 32 1HD1 ILE 32 -1.320 0.908 3.142 227 HD12 ILE 32 2HD1 ILE 32 -0.080 -0.344 3.067 228 HD13 ILE 32 3HD1 ILE 32 -0.557 0.513 1.602 229 H THR 33 H THR 33 -3.414 -4.241 -0.350 230 HA THR 33 HA THR 33 -1.553 -6.472 -0.728 231 HB THR 33 HB THR 33 -4.209 -5.942 -2.076 232 HG1 THR 33 1HG THR 33 -3.729 -8.040 -0.261 233 HG21 THR 33 1HG2 THR 33 -4.029 -8.052 -3.088 234 HG22 THR 33 2HG2 THR 33 -2.695 -8.538 -2.042 235 HG23 THR 33 3HG2 THR 33 -2.434 -7.333 -3.302 236 H LEU 34 H LEU 34 0.163 -5.942 -1.927 237 HA LEU 34 HA LEU 34 0.167 -3.868 -3.867 238 HB2 LEU 34 1HB LEU 34 2.141 -4.718 -2.550 239 HB3 LEU 34 2HB LEU 34 2.156 -6.114 -3.627 240 HG LEU 34 HG LEU 34 2.423 -4.420 -5.526 241 HD11 LEU 34 1HD1 LEU 34 2.301 -2.273 -4.981 242 HD12 LEU 34 2HD1 LEU 34 3.826 -2.462 -4.117 243 HD13 LEU 34 3HD1 LEU 34 2.298 -2.652 -3.258 244 HD21 LEU 34 1HD2 LEU 34 4.521 -5.029 -3.469 245 HD22 LEU 34 2HD2 LEU 34 4.901 -4.140 -4.944 246 HD23 LEU 34 3HD2 LEU 34 4.261 -5.781 -5.043 247 H LEU 35 H LEU 35 -0.620 -3.928 -5.857 248 HA LEU 35 HA LEU 35 -1.038 -6.538 -7.137 249 HB2 LEU 35 1HB LEU 35 -2.196 -3.960 -8.122 250 HB3 LEU 35 2HB LEU 35 -2.784 -5.604 -8.360 251 HG LEU 35 HG LEU 35 -2.794 -4.426 -5.614 252 HD11 LEU 35 1HD1 LEU 35 -4.477 -3.000 -5.975 253 HD12 LEU 35 2HD1 LEU 35 -5.279 -4.084 -7.111 254 HD13 LEU 35 3HD1 LEU 35 -3.964 -3.047 -7.662 255 HD21 LEU 35 1HD2 LEU 35 -3.985 -6.692 -7.048 256 HD22 LEU 35 2HD2 LEU 35 -5.088 -5.834 -5.973 257 HD23 LEU 35 3HD2 LEU 35 -3.586 -6.508 -5.340 258 H GLU 36 H GLU 36 0.061 -3.235 -7.879 259 HA GLU 36 HA GLU 36 1.620 -4.356 -10.114 260 HB2 GLU 36 1HB GLU 36 -0.291 -2.557 -10.451 261 HB3 GLU 36 2HB GLU 36 0.981 -1.444 -9.967 262 HG2 GLU 36 1HG GLU 36 1.156 -1.444 -12.262 263 HG3 GLU 36 2HG GLU 36 2.384 -2.615 -11.785 264 H ASP 37 H ASP 37 3.771 -3.985 -10.200 265 HA ASP 37 HA ASP 37 4.943 -2.128 -8.247 266 HB2 ASP 37 1HB ASP 37 6.739 -3.789 -7.797 267 HB3 ASP 37 2HB ASP 37 5.151 -4.328 -7.258 268 H SER 38 H SER 38 4.444 -2.033 -11.170 269 HA SER 38 HA SER 38 6.775 -2.451 -12.651 270 HB2 SER 38 1HB SER 38 4.383 -0.678 -12.979 271 HB3 SER 38 2HB SER 38 5.760 -0.472 -14.061 272 HG SER 38 HG SER 38 5.488 -2.937 -14.212 273 H ASN 39 H ASN 39 5.666 0.428 -10.897 274 HA ASN 39 HA ASN 39 8.035 1.924 -11.561 275 HB2 ASN 39 1HB ASN 39 5.889 2.543 -9.518 276 HB3 ASN 39 2HB ASN 39 7.087 3.670 -10.147 277 HD21 ASN 39 1HD2 ASN 39 4.068 3.496 -10.218 278 HD22 ASN 39 2HD2 ASN 39 3.675 3.746 -11.882 279 H GLU 40 H GLU 40 9.159 3.065 -9.611 280 HA GLU 40 HA GLU 40 9.898 0.964 -7.682 281 HB2 GLU 40 1HB GLU 40 11.590 3.235 -8.743 282 HB3 GLU 40 2HB GLU 40 12.110 2.037 -7.565 283 HG2 GLU 40 1HG GLU 40 13.001 1.384 -9.650 284 HG3 GLU 40 2HG GLU 40 11.673 0.281 -9.296 285 H ASP 41 H ASP 41 9.296 4.412 -8.114 286 HA ASP 41 HA ASP 41 9.683 5.086 -5.366 287 HB2 ASP 41 1HB ASP 41 8.104 6.650 -7.413 288 HB3 ASP 41 2HB ASP 41 8.877 7.266 -5.955 289 H TRP 42 H TRP 42 6.688 5.342 -7.281 290 HA TRP 42 HA TRP 42 5.169 4.746 -4.845 291 HB2 TRP 42 1HB TRP 42 4.306 5.952 -7.482 292 HB3 TRP 42 2HB TRP 42 3.221 5.624 -6.134 293 HD1 TRP 42 HD TRP 42 6.682 7.398 -6.209 294 HE1 TRP 42 1HE TRP 42 6.423 9.673 -5.034 295 HE3 TRP 42 3HE TRP 42 1.679 7.211 -5.175 296 HZ2 TRP 42 2HZ TRP 42 4.369 11.188 -3.828 297 HZ3 TRP 42 3HZ TRP 42 0.644 9.114 -4.007 298 HH2 TRP 42 HH TRP 42 1.963 11.060 -3.348 299 H TRP 43 H TRP 43 3.581 3.150 -4.784 300 HA TRP 43 HA TRP 43 3.540 1.277 -7.052 301 HB2 TRP 43 1HB TRP 43 3.811 0.592 -4.120 302 HB3 TRP 43 2HB TRP 43 3.435 -0.588 -5.373 303 HD1 TRP 43 HD TRP 43 5.594 0.838 -7.478 304 HE1 TRP 43 1HE TRP 43 8.078 0.252 -7.145 305 HE3 TRP 43 3HE TRP 43 5.399 -0.808 -2.641 306 HZ2 TRP 43 2HZ TRP 43 9.736 -0.773 -5.102 307 HZ3 TRP 43 3HZ TRP 43 7.478 -1.575 -1.572 308 HH2 TRP 43 HH TRP 43 9.600 -1.558 -2.779 309 H LYS 44 H LYS 44 1.636 -0.084 -7.154 310 HA LYS 44 HA LYS 44 -0.712 1.277 -6.030 311 HB2 LYS 44 1HB LYS 44 -0.557 1.100 -8.503 312 HB3 LYS 44 2HB LYS 44 -0.562 -0.652 -8.354 313 HG2 LYS 44 1HG LYS 44 -2.789 -0.592 -7.398 314 HG3 LYS 44 2HG LYS 44 -2.786 1.172 -7.460 315 HD2 LYS 44 1HD LYS 44 -2.437 0.953 -9.956 316 HD3 LYS 44 2HD LYS 44 -2.784 -0.767 -9.765 317 HE2 LYS 44 1HE LYS 44 -4.992 -0.391 -9.198 318 HE3 LYS 44 2HE LYS 44 -4.680 1.257 -8.656 319 HZ1 LYS 44 1HZ LYS 44 -5.898 1.181 -10.759 320 HZ2 LYS 44 2HZ LYS 44 -4.613 0.355 -11.484 321 HZ3 LYS 44 3HZ LYS 44 -4.396 1.941 -10.937 322 H GLY 45 H GLY 45 -2.375 0.111 -5.035 323 HA2 GLY 45 1HA GLY 45 -2.126 -2.747 -4.664 324 HA3 GLY 45 2HA GLY 45 -1.797 -1.803 -3.219 325 H LYS 46 H LYS 46 -3.772 -3.472 -2.900 326 HA LYS 46 HA LYS 46 -6.211 -1.843 -3.193 327 HB2 LYS 46 1HB LYS 46 -6.387 -3.785 -4.630 328 HB3 LYS 46 2HB LYS 46 -5.936 -4.851 -3.306 329 HG2 LYS 46 1HG LYS 46 -7.998 -4.224 -2.124 330 HG3 LYS 46 2HG LYS 46 -8.455 -3.212 -3.495 331 HD2 LYS 46 1HD LYS 46 -7.812 -6.109 -3.895 332 HD3 LYS 46 2HD LYS 46 -9.407 -5.619 -3.320 333 HE2 LYS 46 1HE LYS 46 -9.753 -5.649 -5.590 334 HE3 LYS 46 2HE LYS 46 -9.292 -3.965 -5.347 335 HZ1 LYS 46 1HZ LYS 46 -8.182 -5.442 -7.195 336 HZ2 LYS 46 2HZ LYS 46 -7.168 -5.892 -5.918 337 HZ3 LYS 46 3HZ LYS 46 -7.297 -4.265 -6.361 338 H ILE 47 H ILE 47 -7.243 -1.345 -1.365 339 HA ILE 47 HA ILE 47 -6.347 -2.649 1.114 340 HB ILE 47 HB ILE 47 -7.664 0.039 0.712 341 HG12 ILE 47 1HG1 ILE 47 -4.850 -0.806 1.404 342 HG13 ILE 47 2HG1 ILE 47 -5.380 0.152 0.026 343 HG21 ILE 47 1HG2 ILE 47 -7.136 0.329 3.155 344 HG22 ILE 47 2HG2 ILE 47 -8.434 -0.807 2.790 345 HG23 ILE 47 3HG2 ILE 47 -6.831 -1.407 3.216 346 HD11 ILE 47 1HD1 ILE 47 -5.183 0.966 2.901 347 HD12 ILE 47 2HD1 ILE 47 -4.397 1.678 1.492 348 HD13 ILE 47 3HD1 ILE 47 -6.132 1.882 1.731 349 H GLN 48 H GLN 48 -7.996 -2.861 2.841 350 HA GLN 48 HA GLN 48 -9.986 -4.562 2.363 351 HB2 GLN 48 1HB GLN 48 -9.971 -2.281 4.330 352 HB3 GLN 48 2HB GLN 48 -11.252 -3.486 4.307 353 HG2 GLN 48 1HG GLN 48 -9.376 -5.212 4.514 354 HG3 GLN 48 2HG GLN 48 -8.352 -3.847 4.957 355 HE21 GLN 48 1HE2 GLN 48 -8.123 -5.046 6.969 356 HE22 GLN 48 2HE2 GLN 48 -9.317 -4.848 8.202 357 H ASP 49 H ASP 49 -10.938 -1.170 2.853 358 HA ASP 49 HA ASP 49 -12.959 -1.535 0.739 359 HB2 ASP 49 1HB ASP 49 -13.941 -1.318 2.993 360 HB3 ASP 49 2HB ASP 49 -13.130 0.233 3.188 361 H ARG 50 H ARG 50 -10.089 -0.342 0.936 362 HA ARG 50 HA ARG 50 -10.750 2.157 -0.477 363 HB2 ARG 50 1HB ARG 50 -8.598 1.598 1.542 364 HB3 ARG 50 2HB ARG 50 -8.398 2.876 0.350 365 HG2 ARG 50 1HG ARG 50 -9.282 4.060 2.086 366 HG3 ARG 50 2HG ARG 50 -10.757 3.624 1.221 367 HD2 ARG 50 1HD ARG 50 -11.094 1.737 2.726 368 HD3 ARG 50 2HD ARG 50 -9.599 2.132 3.573 369 HE ARG 50 HE ARG 50 -11.363 4.349 3.567 370 HH11 ARG 50 2HH1 ARG 50 -10.856 1.240 5.049 371 HH12 ARG 50 1HH1 ARG 50 -11.675 1.661 6.517 372 HH21 ARG 50 2HH2 ARG 50 -12.444 4.914 5.494 373 HH22 ARG 50 1HH2 ARG 50 -12.579 3.751 6.768 374 H ILE 51 H ILE 51 -9.305 2.774 -2.174 375 HA ILE 51 HA ILE 51 -7.295 0.896 -3.061 376 HB ILE 51 HB ILE 51 -9.640 1.438 -4.881 377 HG12 ILE 51 1HG1 ILE 51 -8.976 -1.081 -3.341 378 HG13 ILE 51 2HG1 ILE 51 -10.316 0.005 -2.992 379 HG21 ILE 51 1HG2 ILE 51 -6.993 0.327 -5.242 380 HG22 ILE 51 2HG2 ILE 51 -8.251 -0.806 -5.733 381 HG23 ILE 51 3HG2 ILE 51 -8.189 0.806 -6.446 382 HD11 ILE 51 1HD1 ILE 51 -11.589 -0.855 -4.616 383 HD12 ILE 51 2HD1 ILE 51 -10.239 -0.996 -5.742 384 HD13 ILE 51 3HD1 ILE 51 -10.488 -2.228 -4.505 385 H GLY 52 H GLY 52 -5.840 1.781 -4.511 386 HA2 GLY 52 1HA GLY 52 -5.992 3.832 -6.237 387 HA3 GLY 52 2HA GLY 52 -5.915 4.676 -4.698 388 H PHE 53 H PHE 53 -3.931 5.590 -5.600 389 HA PHE 53 HA PHE 53 -1.658 3.745 -5.654 390 HB2 PHE 53 1HB PHE 53 -1.643 6.684 -6.343 391 HB3 PHE 53 2HB PHE 53 -0.427 5.479 -6.752 392 HD1 PHE 53 2HD PHE 53 -1.296 3.480 -8.211 393 HD2 PHE 53 1HD PHE 53 -3.204 7.273 -7.922 394 HE1 PHE 53 2HE PHE 53 -2.424 3.072 -10.359 395 HE2 PHE 53 1HE PHE 53 -4.336 6.871 -10.069 396 HZ PHE 53 HZ PHE 53 -3.946 4.769 -11.292 397 H PHE 54 H PHE 54 0.245 4.166 -4.441 398 HA PHE 54 HA PHE 54 0.225 6.195 -2.394 399 HB2 PHE 54 1HB PHE 54 0.336 4.671 -0.495 400 HB3 PHE 54 2HB PHE 54 -1.172 4.433 -1.371 401 HD1 PHE 54 1HD PHE 54 -1.528 2.421 -2.711 402 HD2 PHE 54 2HD PHE 54 2.003 2.960 -0.396 403 HE1 PHE 54 1HE PHE 54 -1.032 0.020 -2.913 404 HE2 PHE 54 2HE PHE 54 2.505 0.560 -0.596 405 HZ PHE 54 HZ PHE 54 0.987 -0.914 -1.856 406 HA PRO 55 HA PRO 55 4.564 5.825 -2.995 407 HB2 PRO 55 1HB PRO 55 5.447 6.938 -0.682 408 HB3 PRO 55 2HB PRO 55 4.734 7.886 -1.993 409 HG2 PRO 55 1HG PRO 55 3.472 6.905 0.538 410 HG3 PRO 55 2HG PRO 55 3.325 8.489 -0.245 411 HD2 PRO 55 1HD PRO 55 1.425 6.572 -0.468 412 HD3 PRO 55 2HD PRO 55 1.768 7.733 -1.767 413 H ALA 56 H ALA 56 6.310 4.542 -2.449 414 HA ALA 56 HA ALA 56 5.725 2.256 -0.794 415 HB1 ALA 56 1HB ALA 56 7.311 2.700 -3.019 416 HB2 ALA 56 2HB ALA 56 8.467 2.430 -1.715 417 HB3 ALA 56 3HB ALA 56 7.232 1.220 -2.064 418 H ASN 57 H ASN 57 7.588 5.189 -0.536 419 HA ASN 57 HA ASN 57 9.264 4.419 1.606 420 HB2 ASN 57 1HB ASN 57 8.416 7.008 0.389 421 HB3 ASN 57 2HB ASN 57 9.165 7.049 1.983 422 HD21 ASN 57 1HD2 ASN 57 9.914 7.684 -0.973 423 HD22 ASN 57 2HD2 ASN 57 11.523 7.065 -1.090 424 H PHE 58 H PHE 58 5.963 4.748 1.501 425 HA PHE 58 HA PHE 58 5.733 5.618 4.290 426 HB2 PHE 58 1HB PHE 58 3.884 5.555 1.960 427 HB3 PHE 58 2HB PHE 58 3.176 5.346 3.558 428 HD1 PHE 58 2HD PHE 58 5.865 7.518 2.145 429 HD2 PHE 58 1HD PHE 58 2.222 7.274 4.332 430 HE1 PHE 58 2HE PHE 58 5.904 9.956 2.476 431 HE2 PHE 58 1HE PHE 58 2.254 9.712 4.665 432 HZ PHE 58 HZ PHE 58 4.097 11.056 3.738 433 H VAL 59 H VAL 59 5.384 2.853 2.222 434 HA VAL 59 HA VAL 59 4.238 1.283 4.425 435 HB VAL 59 HB VAL 59 3.746 -0.437 2.760 436 HG11 VAL 59 1HG1 VAL 59 2.020 1.166 3.129 437 HG12 VAL 59 2HG1 VAL 59 2.803 2.340 2.070 438 HG13 VAL 59 3HG1 VAL 59 2.103 0.870 1.393 439 HG21 VAL 59 1HG2 VAL 59 4.195 1.072 0.363 440 HG22 VAL 59 2HG2 VAL 59 5.709 0.890 1.250 441 HG23 VAL 59 3HG2 VAL 59 4.777 -0.536 0.793 442 H GLN 60 H GLN 60 5.078 -0.957 4.672 443 HA GLN 60 HA GLN 60 7.940 -1.163 4.036 444 HB2 GLN 60 1HB GLN 60 7.385 -0.423 6.448 445 HB3 GLN 60 2HB GLN 60 6.841 -2.080 6.680 446 HG2 GLN 60 1HG GLN 60 9.551 -1.596 5.550 447 HG3 GLN 60 2HG GLN 60 9.284 -1.365 7.277 448 HE21 GLN 60 1HE2 GLN 60 7.851 -3.266 8.185 449 HE22 GLN 60 2HE2 GLN 60 8.449 -4.840 7.799 450 H ARG 61 H ARG 61 8.355 -2.966 2.961 451 HA ARG 61 HA ARG 61 6.585 -4.915 2.249 452 HB2 ARG 61 1HB ARG 61 8.778 -4.689 1.211 453 HB3 ARG 61 2HB ARG 61 9.559 -5.232 2.690 454 HG2 ARG 61 1HG ARG 61 8.857 -7.428 2.404 455 HG3 ARG 61 2HG ARG 61 7.580 -6.972 1.274 456 HD2 ARG 61 1HD ARG 61 9.126 -7.809 -0.189 457 HD3 ARG 61 2HD ARG 61 9.617 -6.116 -0.157 458 HE ARG 61 HE ARG 61 11.031 -7.442 1.841 459 HH11 ARG 61 2HH1 ARG 61 10.774 -7.452 -1.630 460 HH12 ARG 61 1HH1 ARG 61 12.412 -7.959 -1.881 461 HH21 ARG 61 2HH2 ARG 61 13.189 -8.110 1.525 462 HH22 ARG 61 1HH2 ARG 61 13.784 -8.334 -0.085 463 H LEU 62 H LEU 62 5.779 -6.767 3.088 464 HA LEU 62 HA LEU 62 6.501 -7.378 5.873 465 HB2 LEU 62 1HB LEU 62 3.973 -7.699 4.300 466 HB3 LEU 62 2HB LEU 62 4.254 -8.651 5.756 467 HG LEU 62 HG LEU 62 4.405 -5.653 5.799 468 HD11 LEU 62 1HD1 LEU 62 2.242 -5.589 5.246 469 HD12 LEU 62 2HD1 LEU 62 1.954 -6.263 6.849 470 HD13 LEU 62 3HD1 LEU 62 2.041 -7.329 5.447 471 HD21 LEU 62 1HD2 LEU 62 3.973 -5.933 8.142 472 HD22 LEU 62 2HD2 LEU 62 5.308 -6.992 7.689 473 HD23 LEU 62 3HD2 LEU 62 3.694 -7.662 7.932 474 H SER 63 H SER 63 6.781 -9.535 6.527 475 HA SER 63 HA SER 63 7.692 -11.614 6.325 476 HB2 SER 63 1HB SER 63 5.250 -11.793 5.334 477 HB3 SER 63 2HB SER 63 6.115 -12.080 3.824 478 HG SER 63 HG SER 63 6.705 -13.981 4.524 479 H GLY 64 H GLY 64 9.369 -9.742 5.324 480 HA2 GLY 64 1HA GLY 64 10.354 -10.900 2.792 481 HA3 GLY 64 2HA GLY 64 10.662 -9.252 3.318 482 HA PRO 65 HA PRO 65 13.912 -12.474 4.834 483 HB2 PRO 65 1HB PRO 65 15.632 -12.536 2.735 484 HB3 PRO 65 2HB PRO 65 14.298 -13.681 2.918 485 HG2 PRO 65 1HG PRO 65 14.456 -11.209 1.237 486 HG3 PRO 65 2HG PRO 65 13.794 -12.801 0.825 487 HD2 PRO 65 1HD PRO 65 12.227 -10.712 1.540 488 HD3 PRO 65 2HD PRO 65 11.804 -12.395 1.915 489 H SER 66 H SER 66 15.544 -11.630 5.992 490 HA SER 66 HA SER 66 16.243 -8.848 5.578 491 HB2 SER 66 1HB SER 66 16.682 -10.850 7.760 492 HB3 SER 66 2HB SER 66 17.710 -9.419 7.692 493 HG SER 66 HG SER 66 15.600 -9.364 8.923 494 H SER 67 H SER 67 18.087 -11.873 6.008 495 HA SER 67 HA SER 67 20.569 -10.796 5.246 496 HB2 SER 67 1HB SER 67 20.476 -12.873 6.477 497 HB3 SER 67 2HB SER 67 19.558 -13.648 5.186 498 HG SER 67 HG SER 67 22.067 -12.536 4.609 499 H GLY 68 H GLY 68 21.106 -9.991 3.334 500 HA2 GLY 68 1HA GLY 68 21.375 -11.182 0.964 501 HA3 GLY 68 2HA GLY 68 19.658 -10.806 0.943 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -13.207 -22.431 -7.785 2 HA2 GLY 1 1HA GLY 1 -14.689 -20.081 -6.840 3 HA3 GLY 1 2HA GLY 1 -14.863 -21.588 -5.952 4 H SER 2 H SER 2 -13.043 -18.766 -6.337 5 HA SER 2 HA SER 2 -11.280 -19.550 -4.182 6 HB2 SER 2 1HB SER 2 -10.248 -18.927 -6.948 7 HB3 SER 2 2HB SER 2 -9.246 -18.748 -5.508 8 HG SER 2 HG SER 2 -10.581 -21.143 -6.234 9 H SER 3 H SER 3 -11.221 -17.903 -2.818 10 HA SER 3 HA SER 3 -11.590 -15.181 -3.883 11 HB2 SER 3 1HB SER 3 -12.602 -14.586 -1.739 12 HB3 SER 3 2HB SER 3 -13.451 -15.958 -2.450 13 HG SER 3 HG SER 3 -11.434 -16.128 -0.458 14 H GLY 4 H GLY 4 -10.497 -13.448 -2.735 15 HA2 GLY 4 1HA GLY 4 -8.655 -12.470 -1.770 16 HA3 GLY 4 2HA GLY 4 -8.495 -13.922 -0.794 17 H SER 5 H SER 5 -7.254 -12.125 -3.406 18 HA SER 5 HA SER 5 -5.784 -14.265 -4.636 19 HB2 SER 5 1HB SER 5 -5.604 -11.258 -4.910 20 HB3 SER 5 2HB SER 5 -4.630 -12.387 -5.852 21 HG SER 5 HG SER 5 -6.480 -11.824 -7.009 22 H SER 6 H SER 6 -3.709 -14.879 -4.306 23 HA SER 6 HA SER 6 -2.415 -13.873 -1.897 24 HB2 SER 6 1HB SER 6 -1.093 -15.849 -1.936 25 HB3 SER 6 2HB SER 6 -2.716 -16.354 -2.404 26 HG SER 6 HG SER 6 -2.037 -16.764 -4.381 27 H GLY 7 H GLY 7 -0.338 -13.026 -1.829 28 HA2 GLY 7 1HA GLY 7 1.476 -12.865 -3.937 29 HA3 GLY 7 2HA GLY 7 0.441 -11.449 -4.047 30 H ASN 8 H ASN 8 2.183 -10.058 -3.615 31 HA ASN 8 HA ASN 8 3.629 -10.323 -1.123 32 HB2 ASN 8 1HB ASN 8 3.706 -8.009 -3.065 33 HB3 ASN 8 2HB ASN 8 4.911 -8.429 -1.852 34 HD21 ASN 8 1HD2 ASN 8 6.483 -8.451 -3.504 35 HD22 ASN 8 2HD2 ASN 8 6.626 -9.797 -4.578 36 H THR 9 H THR 9 2.967 -9.524 0.750 37 HA THR 9 HA THR 9 0.820 -7.525 0.759 38 HB THR 9 HB THR 9 1.786 -9.082 3.152 39 HG1 THR 9 1HG THR 9 0.922 -10.299 1.148 40 HG21 THR 9 1HG2 THR 9 -0.398 -8.583 4.050 41 HG22 THR 9 2HG2 THR 9 -0.895 -7.842 2.528 42 HG23 THR 9 3HG2 THR 9 0.355 -7.082 3.512 43 H TYR 10 H TYR 10 0.964 -5.627 1.942 44 HA TYR 10 HA TYR 10 3.573 -4.992 3.132 45 HB2 TYR 10 1HB TYR 10 2.077 -3.391 1.063 46 HB3 TYR 10 2HB TYR 10 3.285 -2.661 2.115 47 HD1 TYR 10 2HD TYR 10 2.919 -5.609 -0.158 48 HD2 TYR 10 1HD TYR 10 5.447 -2.525 1.326 49 HE1 TYR 10 2HE TYR 10 4.691 -6.326 -1.705 50 HE2 TYR 10 1HE TYR 10 7.226 -3.232 -0.219 51 HH TYR 10 HH TYR 10 7.905 -4.888 -1.611 52 H VAL 11 H VAL 11 3.535 -3.290 4.695 53 HA VAL 11 HA VAL 11 0.849 -2.747 5.785 54 HB VAL 11 HB VAL 11 2.024 -4.319 7.228 55 HG11 VAL 11 1HG1 VAL 11 4.298 -2.928 6.489 56 HG12 VAL 11 2HG1 VAL 11 4.083 -2.519 8.192 57 HG13 VAL 11 3HG1 VAL 11 4.200 -4.208 7.698 58 HG21 VAL 11 1HG2 VAL 11 1.616 -1.525 8.228 59 HG22 VAL 11 2HG2 VAL 11 0.603 -2.950 8.463 60 HG23 VAL 11 3HG2 VAL 11 2.140 -2.809 9.317 61 H ALA 12 H ALA 12 0.341 -0.675 6.123 62 HA ALA 12 HA ALA 12 2.030 1.407 5.230 63 HB1 ALA 12 1HB ALA 12 -0.022 2.258 5.042 64 HB2 ALA 12 2HB ALA 12 -0.681 1.150 6.246 65 HB3 ALA 12 3HB ALA 12 0.101 2.646 6.758 66 H LEU 13 H LEU 13 3.410 2.724 6.277 67 HA LEU 13 HA LEU 13 4.003 2.106 9.064 68 HB2 LEU 13 1HB LEU 13 5.481 3.954 7.202 69 HB3 LEU 13 2HB LEU 13 6.056 3.297 8.732 70 HG LEU 13 HG LEU 13 5.420 1.525 6.390 71 HD11 LEU 13 1HD1 LEU 13 8.169 2.553 7.017 72 HD12 LEU 13 2HD1 LEU 13 7.115 3.354 5.851 73 HD13 LEU 13 3HD1 LEU 13 7.612 1.683 5.587 74 HD21 LEU 13 1HD2 LEU 13 7.584 0.757 8.135 75 HD22 LEU 13 2HD2 LEU 13 6.110 -0.118 7.718 76 HD23 LEU 13 3HD2 LEU 13 6.102 1.041 9.049 77 H TYR 14 H TYR 14 2.589 4.598 7.127 78 HA TYR 14 HA TYR 14 1.930 6.089 9.538 79 HB2 TYR 14 1HB TYR 14 2.913 7.706 7.228 80 HB3 TYR 14 2HB TYR 14 2.890 8.102 8.943 81 HD1 TYR 14 2HD TYR 14 4.675 7.349 10.418 82 HD2 TYR 14 1HD TYR 14 4.739 6.434 6.264 83 HE1 TYR 14 2HE TYR 14 7.048 6.726 10.598 84 HE2 TYR 14 1HE TYR 14 7.112 5.808 6.432 85 HH TYR 14 HH TYR 14 8.836 5.959 9.536 86 H LYS 15 H LYS 15 0.217 7.664 9.193 87 HA LYS 15 HA LYS 15 -1.795 6.651 7.437 88 HB2 LYS 15 1HB LYS 15 -2.616 7.494 9.465 89 HB3 LYS 15 2HB LYS 15 -1.643 8.955 9.359 90 HG2 LYS 15 1HG LYS 15 -3.052 9.644 7.407 91 HG3 LYS 15 2HG LYS 15 -4.101 8.270 7.768 92 HD2 LYS 15 1HD LYS 15 -4.792 9.178 9.801 93 HD3 LYS 15 2HD LYS 15 -3.415 10.279 9.885 94 HE2 LYS 15 1HE LYS 15 -5.317 10.568 7.616 95 HE3 LYS 15 2HE LYS 15 -5.834 11.116 9.210 96 HZ1 LYS 15 1HZ LYS 15 -3.403 12.009 7.756 97 HZ2 LYS 15 2HZ LYS 15 -3.837 12.503 9.314 98 HZ3 LYS 15 3HZ LYS 15 -4.813 12.913 7.995 99 H PHE 16 H PHE 16 -1.933 7.079 5.344 100 HA PHE 16 HA PHE 16 -0.597 9.400 4.225 101 HB2 PHE 16 1HB PHE 16 -0.441 7.154 3.149 102 HB3 PHE 16 2HB PHE 16 -2.165 7.238 2.806 103 HD1 PHE 16 2HD PHE 16 -3.027 8.737 1.111 104 HD2 PHE 16 1HD PHE 16 1.143 8.502 1.929 105 HE1 PHE 16 2HE PHE 16 -2.551 9.917 -0.995 106 HE2 PHE 16 1HE PHE 16 1.626 9.682 -0.176 107 HZ PHE 16 HZ PHE 16 -0.222 10.390 -1.641 108 H VAL 17 H VAL 17 -1.597 11.043 3.064 109 HA VAL 17 HA VAL 17 -4.522 11.230 3.391 110 HB VAL 17 HB VAL 17 -2.507 13.473 3.592 111 HG11 VAL 17 1HG1 VAL 17 -5.462 13.437 3.294 112 HG12 VAL 17 2HG1 VAL 17 -4.753 14.634 4.379 113 HG13 VAL 17 3HG1 VAL 17 -4.277 14.588 2.681 114 HG21 VAL 17 1HG2 VAL 17 -3.578 11.677 5.533 115 HG22 VAL 17 2HG2 VAL 17 -2.448 13.012 5.764 116 HG23 VAL 17 3HG2 VAL 17 -4.186 13.301 5.859 117 HA PRO 18 HA PRO 18 -3.868 11.461 -1.105 118 HB2 PRO 18 1HB PRO 18 -6.384 10.644 -1.717 119 HB3 PRO 18 2HB PRO 18 -5.080 9.520 -1.313 120 HG2 PRO 18 1HG PRO 18 -7.290 10.560 0.419 121 HG3 PRO 18 2HG PRO 18 -6.652 8.910 0.288 122 HD2 PRO 18 1HD PRO 18 -5.966 10.582 2.305 123 HD3 PRO 18 2HD PRO 18 -4.851 9.364 1.653 124 H GLN 19 H GLN 19 -3.861 13.517 -1.790 125 HA GLN 19 HA GLN 19 -5.797 15.449 -1.001 126 HB2 GLN 19 1HB GLN 19 -3.448 15.395 -2.827 127 HB3 GLN 19 2HB GLN 19 -4.627 16.680 -3.055 128 HG2 GLN 19 1HG GLN 19 -3.561 16.148 -0.325 129 HG3 GLN 19 2HG GLN 19 -2.568 17.019 -1.492 130 HE21 GLN 19 1HE2 GLN 19 -3.143 18.383 0.664 131 HE22 GLN 19 2HE2 GLN 19 -4.373 19.564 0.386 132 H GLU 20 H GLU 20 -5.556 13.196 -3.610 133 HA GLU 20 HA GLU 20 -8.109 14.187 -4.659 134 HB2 GLU 20 1HB GLU 20 -5.672 13.512 -6.311 135 HB3 GLU 20 2HB GLU 20 -7.286 13.709 -6.981 136 HG2 GLU 20 1HG GLU 20 -7.237 16.028 -5.881 137 HG3 GLU 20 2HG GLU 20 -5.498 15.769 -5.754 138 H ASN 21 H ASN 21 -9.354 12.594 -5.795 139 HA ASN 21 HA ASN 21 -9.652 10.183 -4.586 140 HB2 ASN 21 1HB ASN 21 -10.214 10.945 -7.452 141 HB3 ASN 21 2HB ASN 21 -10.715 9.403 -6.763 142 HD21 ASN 21 1HD2 ASN 21 -11.760 12.385 -7.492 143 HD22 ASN 21 2HD2 ASN 21 -13.030 12.558 -6.333 144 H GLU 22 H GLU 22 -7.816 10.710 -7.596 145 HA GLU 22 HA GLU 22 -6.940 8.249 -8.226 146 HB2 GLU 22 1HB GLU 22 -5.077 10.622 -8.055 147 HB3 GLU 22 2HB GLU 22 -4.912 9.225 -9.110 148 HG2 GLU 22 1HG GLU 22 -7.185 9.945 -10.069 149 HG3 GLU 22 2HG GLU 22 -6.863 11.486 -9.276 150 H ASP 23 H ASP 23 -5.702 10.213 -5.563 151 HA ASP 23 HA ASP 23 -3.675 8.350 -4.805 152 HB2 ASP 23 1HB ASP 23 -4.938 10.616 -3.246 153 HB3 ASP 23 2HB ASP 23 -3.493 9.733 -2.760 154 H LEU 24 H LEU 24 -3.620 7.183 -2.761 155 HA LEU 24 HA LEU 24 -6.291 6.212 -1.979 156 HB2 LEU 24 1HB LEU 24 -5.331 4.377 -2.987 157 HB3 LEU 24 2HB LEU 24 -3.707 4.800 -2.448 158 HG LEU 24 HG LEU 24 -4.554 4.186 -0.095 159 HD11 LEU 24 1HD1 LEU 24 -6.752 3.154 -1.838 160 HD12 LEU 24 2HD1 LEU 24 -6.847 3.976 -0.281 161 HD13 LEU 24 3HD1 LEU 24 -6.311 2.298 -0.360 162 HD21 LEU 24 1HD2 LEU 24 -3.228 2.449 -0.468 163 HD22 LEU 24 2HD2 LEU 24 -3.403 2.688 -2.206 164 HD23 LEU 24 3HD2 LEU 24 -4.522 1.631 -1.344 165 H GLU 25 H GLU 25 -6.727 5.883 0.188 166 HA GLU 25 HA GLU 25 -4.867 7.206 2.029 167 HB2 GLU 25 1HB GLU 25 -7.441 7.752 1.711 168 HB3 GLU 25 2HB GLU 25 -7.627 6.419 2.842 169 HG2 GLU 25 1HG GLU 25 -6.536 7.547 4.551 170 HG3 GLU 25 2HG GLU 25 -5.766 8.680 3.442 171 H MET 26 H MET 26 -4.071 6.215 3.837 172 HA MET 26 HA MET 26 -4.930 3.499 4.466 173 HB2 MET 26 1HB MET 26 -2.311 3.052 4.671 174 HB3 MET 26 2HB MET 26 -3.198 2.749 3.184 175 HG2 MET 26 1HG MET 26 -2.520 4.967 2.359 176 HG3 MET 26 2HG MET 26 -1.573 5.197 3.828 177 HE1 MET 26 1HE MET 26 0.934 5.188 3.354 178 HE2 MET 26 2HE MET 26 1.541 4.601 1.806 179 HE3 MET 26 3HE MET 26 0.250 5.802 1.849 180 H ARG 27 H ARG 27 -3.639 2.701 6.463 181 HA ARG 27 HA ARG 27 -3.153 4.955 8.290 182 HB2 ARG 27 1HB ARG 27 -4.777 2.468 8.841 183 HB3 ARG 27 2HB ARG 27 -4.251 3.592 10.086 184 HG2 ARG 27 1HG ARG 27 -5.455 5.361 8.593 185 HG3 ARG 27 2HG ARG 27 -6.298 3.949 7.953 186 HD2 ARG 27 1HD ARG 27 -6.575 3.413 10.534 187 HD3 ARG 27 2HD ARG 27 -6.393 5.161 10.665 188 HE ARG 27 HE ARG 27 -8.674 3.748 9.712 189 HH11 ARG 27 2HH1 ARG 27 -6.845 6.685 9.322 190 HH12 ARG 27 1HH1 ARG 27 -8.196 7.604 8.746 191 HH21 ARG 27 2HH2 ARG 27 -10.461 4.948 8.956 192 HH22 ARG 27 1HH2 ARG 27 -10.253 6.615 8.540 193 HA PRO 28 HA PRO 28 0.540 2.896 9.469 194 HB2 PRO 28 1HB PRO 28 0.752 3.641 12.071 195 HB3 PRO 28 2HB PRO 28 1.033 4.754 10.727 196 HG2 PRO 28 1HG PRO 28 -1.409 4.414 12.425 197 HG3 PRO 28 2HG PRO 28 -0.634 5.908 11.867 198 HD2 PRO 28 1HD PRO 28 -2.838 4.877 10.678 199 HD3 PRO 28 2HD PRO 28 -1.600 5.776 9.778 200 H GLY 29 H GLY 29 -0.236 0.720 9.270 201 HA2 GLY 29 1HA GLY 29 0.228 -1.188 10.890 202 HA3 GLY 29 2HA GLY 29 -1.101 -0.502 11.813 203 H ASP 30 H ASP 30 -1.973 0.053 8.745 204 HA ASP 30 HA ASP 30 -3.824 -2.160 8.730 205 HB2 ASP 30 1HB ASP 30 -3.484 0.362 7.187 206 HB3 ASP 30 2HB ASP 30 -4.359 -0.953 6.407 207 H ILE 31 H ILE 31 -4.201 -3.387 6.672 208 HA ILE 31 HA ILE 31 -1.610 -4.248 5.583 209 HB ILE 31 HB ILE 31 -4.217 -5.770 5.557 210 HG12 ILE 31 1HG1 ILE 31 -3.218 -5.310 7.853 211 HG13 ILE 31 2HG1 ILE 31 -3.459 -7.004 7.438 212 HG21 ILE 31 1HG2 ILE 31 -2.788 -6.498 3.793 213 HG22 ILE 31 2HG2 ILE 31 -1.388 -6.533 4.864 214 HG23 ILE 31 3HG2 ILE 31 -2.693 -7.698 5.082 215 HD11 ILE 31 1HD1 ILE 31 -1.116 -7.259 6.949 216 HD12 ILE 31 2HD1 ILE 31 -0.842 -5.537 7.221 217 HD13 ILE 31 3HD1 ILE 31 -1.318 -6.578 8.563 218 H ILE 32 H ILE 32 -1.199 -4.168 3.447 219 HA ILE 32 HA ILE 32 -3.405 -3.422 1.644 220 HB ILE 32 HB ILE 32 -0.601 -2.303 1.627 221 HG12 ILE 32 1HG1 ILE 32 -3.078 -0.641 1.732 222 HG13 ILE 32 2HG1 ILE 32 -2.564 -1.459 3.203 223 HG21 ILE 32 1HG2 ILE 32 -2.636 -2.502 -0.464 224 HG22 ILE 32 2HG2 ILE 32 -2.019 -0.869 -0.212 225 HG23 ILE 32 3HG2 ILE 32 -0.906 -2.184 -0.589 226 HD11 ILE 32 1HD1 ILE 32 -1.173 0.683 1.655 227 HD12 ILE 32 2HD1 ILE 32 -1.579 0.624 3.371 228 HD13 ILE 32 3HD1 ILE 32 -0.276 -0.381 2.738 229 H THR 33 H THR 33 -3.434 -4.377 -0.345 230 HA THR 33 HA THR 33 -1.525 -6.567 -0.740 231 HB THR 33 HB THR 33 -4.177 -6.078 -2.110 232 HG1 THR 33 1HG THR 33 -4.249 -6.647 0.180 233 HG21 THR 33 1HG2 THR 33 -2.422 -8.536 -2.116 234 HG22 THR 33 2HG2 THR 33 -2.536 -7.379 -3.442 235 HG23 THR 33 3HG2 THR 33 -3.949 -8.324 -2.973 236 H LEU 34 H LEU 34 0.217 -5.761 -1.791 237 HA LEU 34 HA LEU 34 0.232 -3.709 -3.680 238 HB2 LEU 34 1HB LEU 34 2.183 -4.789 -2.430 239 HB3 LEU 34 2HB LEU 34 2.169 -6.004 -3.706 240 HG LEU 34 HG LEU 34 2.533 -4.143 -5.351 241 HD11 LEU 34 1HD1 LEU 34 3.709 -2.156 -3.980 242 HD12 LEU 34 2HD1 LEU 34 2.434 -2.595 -2.844 243 HD13 LEU 34 3HD1 LEU 34 2.021 -2.122 -4.492 244 HD21 LEU 34 1HD2 LEU 34 4.951 -3.714 -4.145 245 HD22 LEU 34 2HD2 LEU 34 4.540 -5.108 -5.145 246 HD23 LEU 34 3HD2 LEU 34 4.413 -5.213 -3.388 247 H LEU 35 H LEU 35 -0.901 -3.696 -5.508 248 HA LEU 35 HA LEU 35 -1.435 -6.154 -6.951 249 HB2 LEU 35 1HB LEU 35 -2.244 -3.307 -7.523 250 HB3 LEU 35 2HB LEU 35 -2.797 -4.721 -8.418 251 HG LEU 35 HG LEU 35 -3.344 -4.246 -5.490 252 HD11 LEU 35 1HD1 LEU 35 -4.694 -2.632 -6.306 253 HD12 LEU 35 2HD1 LEU 35 -5.740 -4.004 -6.669 254 HD13 LEU 35 3HD1 LEU 35 -4.718 -3.317 -7.931 255 HD21 LEU 35 1HD2 LEU 35 -3.715 -6.484 -7.284 256 HD22 LEU 35 2HD2 LEU 35 -5.245 -5.940 -6.597 257 HD23 LEU 35 3HD2 LEU 35 -3.913 -6.396 -5.534 258 H GLU 36 H GLU 36 -0.177 -2.951 -7.906 259 HA GLU 36 HA GLU 36 1.437 -4.309 -9.960 260 HB2 GLU 36 1HB GLU 36 -0.377 -2.447 -10.471 261 HB3 GLU 36 2HB GLU 36 0.942 -1.367 -10.040 262 HG2 GLU 36 1HG GLU 36 2.344 -2.578 -11.739 263 HG3 GLU 36 2HG GLU 36 0.867 -3.384 -12.264 264 H ASP 37 H ASP 37 3.606 -4.035 -10.017 265 HA ASP 37 HA ASP 37 4.814 -2.106 -8.158 266 HB2 ASP 37 1HB ASP 37 6.337 -3.696 -7.286 267 HB3 ASP 37 2HB ASP 37 4.762 -4.482 -7.235 268 H SER 38 H SER 38 4.387 -2.212 -11.103 269 HA SER 38 HA SER 38 6.757 -2.806 -12.467 270 HB2 SER 38 1HB SER 38 4.452 -2.262 -13.443 271 HB3 SER 38 2HB SER 38 4.892 -0.566 -13.246 272 HG SER 38 HG SER 38 6.885 -1.285 -14.467 273 H ASN 39 H ASN 39 5.743 0.070 -10.721 274 HA ASN 39 HA ASN 39 8.059 1.590 -11.550 275 HB2 ASN 39 1HB ASN 39 6.018 2.246 -9.415 276 HB3 ASN 39 2HB ASN 39 7.163 3.363 -10.153 277 HD21 ASN 39 1HD2 ASN 39 4.049 2.293 -10.196 278 HD22 ASN 39 2HD2 ASN 39 3.589 2.821 -11.776 279 H GLU 40 H GLU 40 9.092 2.842 -9.512 280 HA GLU 40 HA GLU 40 9.938 0.765 -7.601 281 HB2 GLU 40 1HB GLU 40 11.759 1.100 -9.116 282 HB3 GLU 40 2HB GLU 40 11.607 2.848 -9.006 283 HG2 GLU 40 1HG GLU 40 13.391 2.525 -7.640 284 HG3 GLU 40 2HG GLU 40 12.087 2.399 -6.462 285 H ASP 41 H ASP 41 9.150 4.115 -8.171 286 HA ASP 41 HA ASP 41 9.738 4.932 -5.463 287 HB2 ASP 41 1HB ASP 41 8.183 6.459 -7.557 288 HB3 ASP 41 2HB ASP 41 8.985 7.112 -6.131 289 H TRP 42 H TRP 42 6.731 5.044 -7.382 290 HA TRP 42 HA TRP 42 5.235 4.610 -4.887 291 HB2 TRP 42 1HB TRP 42 4.396 5.879 -7.500 292 HB3 TRP 42 2HB TRP 42 3.291 5.549 -6.168 293 HD1 TRP 42 HD TRP 42 6.755 7.322 -6.350 294 HE1 TRP 42 1HE TRP 42 6.567 9.538 -5.053 295 HE3 TRP 42 3HE TRP 42 1.850 7.023 -4.938 296 HZ2 TRP 42 2HZ TRP 42 4.600 10.969 -3.621 297 HZ3 TRP 42 3HZ TRP 42 0.893 8.857 -3.606 298 HH2 TRP 42 HH TRP 42 2.241 10.788 -2.962 299 H TRP 43 H TRP 43 3.711 3.004 -4.731 300 HA TRP 43 HA TRP 43 3.510 1.159 -7.019 301 HB2 TRP 43 1HB TRP 43 3.843 0.492 -4.091 302 HB3 TRP 43 2HB TRP 43 3.348 -0.687 -5.302 303 HD1 TRP 43 HD TRP 43 5.468 0.515 -7.547 304 HE1 TRP 43 1HE TRP 43 7.935 -0.175 -7.304 305 HE3 TRP 43 3HE TRP 43 5.440 -0.876 -2.627 306 HZ2 TRP 43 2HZ TRP 43 9.644 -1.177 -5.293 307 HZ3 TRP 43 3HZ TRP 43 7.533 -1.689 -1.620 308 HH2 TRP 43 HH TRP 43 9.590 -1.837 -2.927 309 H LYS 44 H LYS 44 1.574 -0.242 -6.949 310 HA LYS 44 HA LYS 44 -0.712 1.230 -5.820 311 HB2 LYS 44 1HB LYS 44 -0.505 0.970 -8.344 312 HB3 LYS 44 2HB LYS 44 -0.812 -0.744 -8.099 313 HG2 LYS 44 1HG LYS 44 -2.927 -0.042 -8.529 314 HG3 LYS 44 2HG LYS 44 -2.903 0.180 -6.778 315 HD2 LYS 44 1HD LYS 44 -2.425 2.531 -7.039 316 HD3 LYS 44 2HD LYS 44 -2.276 2.342 -8.788 317 HE2 LYS 44 1HE LYS 44 -4.793 1.743 -7.244 318 HE3 LYS 44 2HE LYS 44 -4.458 3.299 -8.000 319 HZ1 LYS 44 1HZ LYS 44 -4.010 1.560 -10.011 320 HZ2 LYS 44 2HZ LYS 44 -5.455 2.404 -9.768 321 HZ3 LYS 44 3HZ LYS 44 -5.296 0.819 -9.199 322 H GLY 45 H GLY 45 -2.284 0.162 -4.663 323 HA2 GLY 45 1HA GLY 45 -1.964 -2.729 -4.259 324 HA3 GLY 45 2HA GLY 45 -1.905 -1.675 -2.854 325 H LYS 46 H LYS 46 -3.740 -3.192 -2.299 326 HA LYS 46 HA LYS 46 -6.243 -1.867 -3.021 327 HB2 LYS 46 1HB LYS 46 -6.156 -3.756 -4.536 328 HB3 LYS 46 2HB LYS 46 -5.781 -4.849 -3.210 329 HG2 LYS 46 1HG LYS 46 -7.983 -4.414 -2.234 330 HG3 LYS 46 2HG LYS 46 -8.358 -3.332 -3.578 331 HD2 LYS 46 1HD LYS 46 -7.518 -6.157 -4.102 332 HD3 LYS 46 2HD LYS 46 -9.185 -5.794 -3.648 333 HE2 LYS 46 1HE LYS 46 -9.075 -4.035 -5.532 334 HE3 LYS 46 2HE LYS 46 -7.657 -4.928 -6.078 335 HZ1 LYS 46 1HZ LYS 46 -9.985 -5.531 -6.993 336 HZ2 LYS 46 2HZ LYS 46 -10.163 -6.370 -5.535 337 HZ3 LYS 46 3HZ LYS 46 -8.905 -6.770 -6.594 338 H ILE 47 H ILE 47 -7.228 -1.300 -1.206 339 HA ILE 47 HA ILE 47 -6.702 -2.856 1.234 340 HB ILE 47 HB ILE 47 -7.862 -0.077 1.104 341 HG12 ILE 47 1HG1 ILE 47 -4.992 -0.988 1.232 342 HG13 ILE 47 2HG1 ILE 47 -5.721 0.167 0.121 343 HG21 ILE 47 1HG2 ILE 47 -6.679 -1.752 3.307 344 HG22 ILE 47 2HG2 ILE 47 -6.979 -0.021 3.459 345 HG23 ILE 47 3HG2 ILE 47 -8.324 -1.127 3.182 346 HD11 ILE 47 1HD1 ILE 47 -6.128 1.628 2.154 347 HD12 ILE 47 2HD1 ILE 47 -5.038 0.539 3.014 348 HD13 ILE 47 3HD1 ILE 47 -4.458 1.445 1.617 349 H GLN 48 H GLN 48 -8.516 -2.972 2.805 350 HA GLN 48 HA GLN 48 -10.620 -4.411 2.080 351 HB2 GLN 48 1HB GLN 48 -10.635 -2.170 4.101 352 HB3 GLN 48 2HB GLN 48 -11.948 -3.329 3.939 353 HG2 GLN 48 1HG GLN 48 -10.231 -5.137 4.324 354 HG3 GLN 48 2HG GLN 48 -9.113 -3.850 4.775 355 HE21 GLN 48 1HE2 GLN 48 -8.936 -3.662 6.879 356 HE22 GLN 48 2HE2 GLN 48 -10.204 -3.854 8.036 357 H ASP 49 H ASP 49 -10.975 -0.869 2.346 358 HA ASP 49 HA ASP 49 -12.839 -0.972 0.074 359 HB2 ASP 49 1HB ASP 49 -13.283 0.838 2.442 360 HB3 ASP 49 2HB ASP 49 -14.407 0.445 1.144 361 H ARG 50 H ARG 50 -9.949 -0.091 0.687 362 HA ARG 50 HA ARG 50 -10.195 2.574 -0.546 363 HB2 ARG 50 1HB ARG 50 -7.778 1.913 1.065 364 HB3 ARG 50 2HB ARG 50 -8.560 3.466 0.798 365 HG2 ARG 50 1HG ARG 50 -10.481 2.322 2.219 366 HG3 ARG 50 2HG ARG 50 -9.118 1.380 2.826 367 HD2 ARG 50 1HD ARG 50 -9.211 3.172 4.298 368 HD3 ARG 50 2HD ARG 50 -7.972 3.668 3.146 369 HE ARG 50 HE ARG 50 -9.355 5.354 2.419 370 HH11 ARG 50 2HH1 ARG 50 -11.150 3.146 4.425 371 HH12 ARG 50 1HH1 ARG 50 -12.547 4.167 4.524 372 HH21 ARG 50 2HH2 ARG 50 -11.187 6.706 2.543 373 HH22 ARG 50 1HH2 ARG 50 -12.567 6.191 3.453 374 H ILE 51 H ILE 51 -9.312 2.716 -2.495 375 HA ILE 51 HA ILE 51 -7.028 0.995 -3.160 376 HB ILE 51 HB ILE 51 -9.315 1.460 -5.070 377 HG12 ILE 51 1HG1 ILE 51 -8.710 -1.032 -3.463 378 HG13 ILE 51 2HG1 ILE 51 -10.020 0.091 -3.116 379 HG21 ILE 51 1HG2 ILE 51 -8.229 0.021 -6.532 380 HG22 ILE 51 2HG2 ILE 51 -6.904 0.954 -5.840 381 HG23 ILE 51 3HG2 ILE 51 -7.229 -0.678 -5.259 382 HD11 ILE 51 1HD1 ILE 51 -10.159 -2.154 -4.701 383 HD12 ILE 51 2HD1 ILE 51 -11.337 -0.842 -4.638 384 HD13 ILE 51 3HD1 ILE 51 -10.067 -0.829 -5.861 385 H GLY 52 H GLY 52 -5.579 1.840 -4.664 386 HA2 GLY 52 1HA GLY 52 -5.682 3.832 -6.428 387 HA3 GLY 52 2HA GLY 52 -5.700 4.739 -4.923 388 H PHE 53 H PHE 53 -3.699 5.659 -5.821 389 HA PHE 53 HA PHE 53 -1.378 3.902 -5.784 390 HB2 PHE 53 1HB PHE 53 -1.459 6.877 -6.309 391 HB3 PHE 53 2HB PHE 53 -0.146 5.767 -6.684 392 HD1 PHE 53 2HD PHE 53 -0.409 4.114 -8.502 393 HD2 PHE 53 1HD PHE 53 -3.317 7.131 -7.757 394 HE1 PHE 53 2HE PHE 53 -1.358 3.748 -10.743 395 HE2 PHE 53 1HE PHE 53 -4.271 6.770 -9.996 396 HZ PHE 53 HZ PHE 53 -3.291 5.077 -11.492 397 H PHE 54 H PHE 54 0.583 4.603 -4.601 398 HA PHE 54 HA PHE 54 0.386 6.397 -2.406 399 HB2 PHE 54 1HB PHE 54 0.373 4.860 -0.566 400 HB3 PHE 54 2HB PHE 54 -1.005 4.468 -1.589 401 HD1 PHE 54 2HD PHE 54 2.572 3.516 -1.131 402 HD2 PHE 54 1HD PHE 54 -1.375 2.266 -2.120 403 HE1 PHE 54 2HE PHE 54 3.350 1.186 -1.276 404 HE2 PHE 54 1HE PHE 54 -0.603 -0.066 -2.266 405 HZ PHE 54 HZ PHE 54 1.762 -0.608 -1.845 406 HA PRO 55 HA PRO 55 4.752 6.158 -2.845 407 HB2 PRO 55 1HB PRO 55 5.521 7.142 -0.435 408 HB3 PRO 55 2HB PRO 55 4.835 8.154 -1.712 409 HG2 PRO 55 1HG PRO 55 3.504 6.989 0.703 410 HG3 PRO 55 2HG PRO 55 3.347 8.615 0.016 411 HD2 PRO 55 1HD PRO 55 1.505 6.675 -0.399 412 HD3 PRO 55 2HD PRO 55 1.866 7.923 -1.609 413 H ALA 56 H ALA 56 5.990 4.401 -2.767 414 HA ALA 56 HA ALA 56 5.545 2.224 -1.047 415 HB1 ALA 56 1HB ALA 56 7.001 1.156 -2.367 416 HB2 ALA 56 2HB ALA 56 6.978 2.625 -3.342 417 HB3 ALA 56 3HB ALA 56 8.248 2.383 -2.143 418 H ASN 57 H ASN 57 7.179 5.158 -0.531 419 HA ASN 57 HA ASN 57 9.074 4.209 1.401 420 HB2 ASN 57 1HB ASN 57 8.106 6.946 0.596 421 HB3 ASN 57 2HB ASN 57 9.210 6.719 1.950 422 HD21 ASN 57 1HD2 ASN 57 11.271 6.881 1.484 423 HD22 ASN 57 2HD2 ASN 57 11.995 6.599 -0.060 424 H PHE 58 H PHE 58 5.746 4.992 1.437 425 HA PHE 58 HA PHE 58 5.612 5.623 4.248 426 HB2 PHE 58 1HB PHE 58 3.668 5.395 2.007 427 HB3 PHE 58 2HB PHE 58 3.048 5.179 3.641 428 HD1 PHE 58 2HD PHE 58 5.484 7.487 1.999 429 HD2 PHE 58 1HD PHE 58 2.054 7.055 4.482 430 HE1 PHE 58 2HE PHE 58 5.384 9.929 2.280 431 HE2 PHE 58 1HE PHE 58 1.948 9.497 4.766 432 HZ PHE 58 HZ PHE 58 3.615 10.937 3.666 433 H VAL 59 H VAL 59 5.294 2.806 2.231 434 HA VAL 59 HA VAL 59 4.417 1.210 4.539 435 HB VAL 59 HB VAL 59 3.839 -0.545 2.946 436 HG11 VAL 59 1HG1 VAL 59 1.950 0.681 3.234 437 HG12 VAL 59 2HG1 VAL 59 2.711 2.184 2.710 438 HG13 VAL 59 3HG1 VAL 59 2.197 0.991 1.516 439 HG21 VAL 59 1HG2 VAL 59 5.290 -0.455 1.167 440 HG22 VAL 59 2HG2 VAL 59 3.853 0.277 0.453 441 HG23 VAL 59 3HG2 VAL 59 5.174 1.299 1.020 442 H GLN 60 H GLN 60 5.484 -0.755 5.042 443 HA GLN 60 HA GLN 60 8.273 -0.857 4.098 444 HB2 GLN 60 1HB GLN 60 8.205 -0.255 6.430 445 HB3 GLN 60 2HB GLN 60 7.107 -1.581 6.788 446 HG2 GLN 60 1HG GLN 60 8.763 -3.174 6.638 447 HG3 GLN 60 2HG GLN 60 9.791 -2.160 5.627 448 HE21 GLN 60 1HE2 GLN 60 10.570 -3.574 7.977 449 HE22 GLN 60 2HE2 GLN 60 11.096 -2.403 9.132 450 H ARG 61 H ARG 61 8.402 -2.427 2.621 451 HA ARG 61 HA ARG 61 6.819 -4.513 2.057 452 HB2 ARG 61 1HB ARG 61 8.793 -4.055 0.743 453 HB3 ARG 61 2HB ARG 61 9.839 -4.529 2.074 454 HG2 ARG 61 1HG ARG 61 7.901 -6.528 1.046 455 HG3 ARG 61 2HG ARG 61 9.318 -6.152 0.064 456 HD2 ARG 61 1HD ARG 61 10.680 -6.543 2.185 457 HD3 ARG 61 2HD ARG 61 9.215 -7.262 2.853 458 HE ARG 61 HE ARG 61 9.507 -9.088 1.477 459 HH11 ARG 61 2HH1 ARG 61 11.721 -6.554 0.585 460 HH12 ARG 61 1HH1 ARG 61 12.655 -7.563 -0.469 461 HH21 ARG 61 2HH2 ARG 61 10.728 -10.426 0.091 462 HH22 ARG 61 1HH2 ARG 61 12.089 -9.765 -0.751 463 H LEU 62 H LEU 62 6.257 -6.461 2.863 464 HA LEU 62 HA LEU 62 7.279 -7.142 5.520 465 HB2 LEU 62 1HB LEU 62 4.788 -7.804 4.005 466 HB3 LEU 62 2HB LEU 62 5.297 -8.817 5.355 467 HG LEU 62 HG LEU 62 5.033 -5.877 5.780 468 HD11 LEU 62 1HD1 LEU 62 2.642 -7.602 6.177 469 HD12 LEU 62 2HD1 LEU 62 2.973 -6.967 4.565 470 HD13 LEU 62 3HD1 LEU 62 2.751 -5.861 5.921 471 HD21 LEU 62 1HD2 LEU 62 4.361 -8.223 7.546 472 HD22 LEU 62 2HD2 LEU 62 4.538 -6.533 8.019 473 HD23 LEU 62 3HD2 LEU 62 5.948 -7.454 7.494 474 H SER 63 H SER 63 8.545 -8.851 5.866 475 HA SER 63 HA SER 63 8.745 -10.899 3.760 476 HB2 SER 63 1HB SER 63 10.700 -9.253 3.851 477 HB3 SER 63 2HB SER 63 11.103 -9.983 5.405 478 HG SER 63 HG SER 63 11.515 -10.926 2.887 479 H GLY 64 H GLY 64 9.523 -12.994 4.506 480 HA2 GLY 64 1HA GLY 64 10.173 -14.131 6.727 481 HA3 GLY 64 2HA GLY 64 8.617 -13.510 7.259 482 HA PRO 65 HA PRO 65 7.879 -17.784 5.714 483 HB2 PRO 65 1HB PRO 65 6.104 -18.415 7.668 484 HB3 PRO 65 2HB PRO 65 7.852 -18.583 7.868 485 HG2 PRO 65 1HG PRO 65 6.041 -16.389 8.798 486 HG3 PRO 65 2HG PRO 65 7.372 -17.182 9.661 487 HD2 PRO 65 1HD PRO 65 7.642 -14.764 8.474 488 HD3 PRO 65 2HD PRO 65 8.981 -15.924 8.594 489 H SER 66 H SER 66 6.643 -17.586 3.938 490 HA SER 66 HA SER 66 3.852 -16.722 4.305 491 HB2 SER 66 1HB SER 66 5.672 -16.066 1.977 492 HB3 SER 66 2HB SER 66 3.941 -15.731 2.022 493 HG SER 66 HG SER 66 4.538 -14.567 4.077 494 H SER 67 H SER 67 6.069 -18.428 2.102 495 HA SER 67 HA SER 67 4.345 -19.775 0.498 496 HB2 SER 67 1HB SER 67 6.977 -19.915 0.790 497 HB3 SER 67 2HB SER 67 6.570 -21.380 1.683 498 HG SER 67 HG SER 67 5.236 -21.854 -0.289 499 H GLY 68 H GLY 68 3.506 -21.980 0.533 500 HA2 GLY 68 1HA GLY 68 3.112 -23.939 2.066 501 HA3 GLY 68 2HA GLY 68 2.623 -22.735 3.250 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -16.180 -14.228 -0.899 2 HA2 GLY 1 1HA GLY 1 -16.385 -11.610 -0.402 3 HA3 GLY 1 2HA GLY 1 -15.025 -12.038 0.626 4 H SER 2 H SER 2 -13.061 -11.943 -0.243 5 HA SER 2 HA SER 2 -12.864 -11.627 -3.153 6 HB2 SER 2 1HB SER 2 -11.919 -9.911 -1.452 7 HB3 SER 2 2HB SER 2 -10.625 -11.086 -1.217 8 HG SER 2 HG SER 2 -10.945 -9.323 -3.203 9 H SER 3 H SER 3 -11.327 -12.770 -4.366 10 HA SER 3 HA SER 3 -10.944 -15.469 -3.567 11 HB2 SER 3 1HB SER 3 -9.667 -15.667 -5.697 12 HB3 SER 3 2HB SER 3 -11.249 -14.918 -5.914 13 HG SER 3 HG SER 3 -8.940 -13.353 -5.500 14 H GLY 4 H GLY 4 -8.933 -16.597 -3.320 15 HA2 GLY 4 1HA GLY 4 -7.174 -15.425 -1.494 16 HA3 GLY 4 2HA GLY 4 -6.860 -16.905 -2.388 17 H SER 5 H SER 5 -5.552 -16.861 -4.185 18 HA SER 5 HA SER 5 -3.653 -16.135 -5.259 19 HB2 SER 5 1HB SER 5 -5.732 -15.298 -6.567 20 HB3 SER 5 2HB SER 5 -5.273 -13.703 -5.972 21 HG SER 5 HG SER 5 -4.316 -14.918 -8.067 22 H SER 6 H SER 6 -3.483 -15.481 -2.574 23 HA SER 6 HA SER 6 -2.778 -12.710 -2.262 24 HB2 SER 6 1HB SER 6 -2.302 -15.071 -0.426 25 HB3 SER 6 2HB SER 6 -2.077 -13.376 0.007 26 HG SER 6 HG SER 6 -4.091 -13.822 0.686 27 H GLY 7 H GLY 7 -0.849 -11.785 -2.559 28 HA2 GLY 7 1HA GLY 7 1.463 -13.569 -3.020 29 HA3 GLY 7 2HA GLY 7 1.198 -12.079 -3.914 30 H ASN 8 H ASN 8 2.470 -10.474 -3.304 31 HA ASN 8 HA ASN 8 3.778 -10.556 -0.719 32 HB2 ASN 8 1HB ASN 8 4.055 -8.687 -3.079 33 HB3 ASN 8 2HB ASN 8 4.987 -8.531 -1.593 34 HD21 ASN 8 1HD2 ASN 8 6.875 -8.795 -2.869 35 HD22 ASN 8 2HD2 ASN 8 7.378 -10.367 -3.381 36 H THR 9 H THR 9 3.000 -9.588 1.023 37 HA THR 9 HA THR 9 0.982 -7.480 0.696 38 HB THR 9 HB THR 9 1.614 -8.851 3.298 39 HG1 THR 9 1HG THR 9 -0.291 -10.202 2.606 40 HG21 THR 9 1HG2 THR 9 -0.008 -7.506 4.022 41 HG22 THR 9 2HG2 THR 9 -1.133 -8.329 2.942 42 HG23 THR 9 3HG2 THR 9 -0.272 -6.892 2.391 43 H TYR 10 H TYR 10 1.115 -5.536 1.845 44 HA TYR 10 HA TYR 10 3.702 -4.958 3.119 45 HB2 TYR 10 1HB TYR 10 2.284 -3.299 1.031 46 HB3 TYR 10 2HB TYR 10 3.579 -2.673 2.045 47 HD1 TYR 10 2HD TYR 10 2.964 -5.698 -0.074 48 HD2 TYR 10 1HD TYR 10 5.657 -2.606 1.063 49 HE1 TYR 10 2HE TYR 10 4.623 -6.565 -1.669 50 HE2 TYR 10 1HE TYR 10 7.323 -3.464 -0.529 51 HH TYR 10 HH TYR 10 7.048 -6.505 -2.017 52 H VAL 11 H VAL 11 3.661 -3.493 4.809 53 HA VAL 11 HA VAL 11 0.971 -2.792 5.785 54 HB VAL 11 HB VAL 11 2.162 -4.344 7.255 55 HG11 VAL 11 1HG1 VAL 11 4.202 -2.195 7.751 56 HG12 VAL 11 2HG1 VAL 11 4.240 -3.887 8.252 57 HG13 VAL 11 3HG1 VAL 11 4.449 -3.464 6.552 58 HG21 VAL 11 1HG2 VAL 11 0.862 -3.235 8.705 59 HG22 VAL 11 2HG2 VAL 11 2.359 -2.464 9.229 60 HG23 VAL 11 3HG2 VAL 11 1.317 -1.659 8.056 61 H ALA 12 H ALA 12 0.462 -0.714 6.083 62 HA ALA 12 HA ALA 12 2.184 1.347 5.176 63 HB1 ALA 12 1HB ALA 12 -0.551 1.164 6.252 64 HB2 ALA 12 2HB ALA 12 0.262 2.711 6.487 65 HB3 ALA 12 3HB ALA 12 0.068 2.055 4.862 66 H LEU 13 H LEU 13 3.635 2.546 6.229 67 HA LEU 13 HA LEU 13 4.153 2.005 9.019 68 HB2 LEU 13 1HB LEU 13 5.539 3.935 7.166 69 HB3 LEU 13 2HB LEU 13 6.131 3.361 8.724 70 HG LEU 13 HG LEU 13 5.641 1.453 6.462 71 HD11 LEU 13 1HD1 LEU 13 7.115 2.794 5.335 72 HD12 LEU 13 2HD1 LEU 13 8.237 1.754 6.213 73 HD13 LEU 13 3HD1 LEU 13 7.887 3.376 6.810 74 HD21 LEU 13 1HD2 LEU 13 7.748 1.293 8.581 75 HD22 LEU 13 2HD2 LEU 13 6.990 -0.004 7.657 76 HD23 LEU 13 3HD2 LEU 13 6.085 0.817 8.930 77 H TYR 14 H TYR 14 2.958 4.669 7.057 78 HA TYR 14 HA TYR 14 2.040 5.985 9.507 79 HB2 TYR 14 1HB TYR 14 3.160 7.682 7.308 80 HB3 TYR 14 2HB TYR 14 2.964 8.058 9.017 81 HD1 TYR 14 1HD TYR 14 5.067 6.350 6.535 82 HD2 TYR 14 2HD TYR 14 4.649 7.442 10.626 83 HE1 TYR 14 1HE TYR 14 7.427 5.774 6.924 84 HE2 TYR 14 2HE TYR 14 7.008 6.871 11.025 85 HH TYR 14 HH TYR 14 8.759 5.496 10.053 86 H LYS 15 H LYS 15 0.397 7.676 9.054 87 HA LYS 15 HA LYS 15 -1.565 6.663 7.239 88 HB2 LYS 15 1HB LYS 15 -2.414 7.581 9.239 89 HB3 LYS 15 2HB LYS 15 -1.449 9.043 9.078 90 HG2 LYS 15 1HG LYS 15 -2.813 9.704 7.141 91 HG3 LYS 15 2HG LYS 15 -3.806 8.263 7.372 92 HD2 LYS 15 1HD LYS 15 -4.726 9.060 9.348 93 HD3 LYS 15 2HD LYS 15 -3.399 10.189 9.627 94 HE2 LYS 15 1HE LYS 15 -5.075 10.565 7.201 95 HE3 LYS 15 2HE LYS 15 -5.770 10.996 8.763 96 HZ1 LYS 15 1HZ LYS 15 -4.506 12.807 8.888 97 HZ2 LYS 15 2HZ LYS 15 -4.171 12.581 7.246 98 HZ3 LYS 15 3HZ LYS 15 -3.103 11.988 8.416 99 H PHE 16 H PHE 16 -2.119 7.347 5.250 100 HA PHE 16 HA PHE 16 -0.563 9.572 4.117 101 HB2 PHE 16 1HB PHE 16 -0.249 7.289 3.110 102 HB3 PHE 16 2HB PHE 16 -1.935 7.343 2.607 103 HD1 PHE 16 2HD PHE 16 -2.667 8.916 0.881 104 HD2 PHE 16 1HD PHE 16 1.429 8.556 1.979 105 HE1 PHE 16 2HE PHE 16 -2.015 10.090 -1.180 106 HE2 PHE 16 1HE PHE 16 2.088 9.731 -0.080 107 HZ PHE 16 HZ PHE 16 0.365 10.498 -1.664 108 H VAL 17 H VAL 17 -1.570 11.187 2.964 109 HA VAL 17 HA VAL 17 -4.514 11.229 3.133 110 HB VAL 17 HB VAL 17 -2.589 13.555 3.245 111 HG11 VAL 17 1HG1 VAL 17 -4.298 14.709 2.371 112 HG12 VAL 17 2HG1 VAL 17 -5.447 13.400 2.650 113 HG13 VAL 17 3HG1 VAL 17 -5.048 14.518 3.955 114 HG21 VAL 17 1HG2 VAL 17 -4.500 13.133 5.425 115 HG22 VAL 17 2HG2 VAL 17 -3.286 11.863 5.266 116 HG23 VAL 17 3HG2 VAL 17 -2.785 13.540 5.481 117 HA PRO 18 HA PRO 18 -3.696 11.222 -1.358 118 HB2 PRO 18 1HB PRO 18 -6.089 10.111 -1.996 119 HB3 PRO 18 2HB PRO 18 -4.692 9.155 -1.488 120 HG2 PRO 18 1HG PRO 18 -7.058 10.049 0.113 121 HG3 PRO 18 2HG PRO 18 -6.248 8.471 0.098 122 HD2 PRO 18 1HD PRO 18 -5.812 10.315 2.033 123 HD3 PRO 18 2HD PRO 18 -4.554 9.187 1.487 124 H GLN 19 H GLN 19 -3.817 13.354 -1.896 125 HA GLN 19 HA GLN 19 -6.068 15.004 -1.393 126 HB2 GLN 19 1HB GLN 19 -3.763 15.863 -1.699 127 HB3 GLN 19 2HB GLN 19 -3.842 15.411 -3.397 128 HG2 GLN 19 1HG GLN 19 -5.439 17.049 -3.878 129 HG3 GLN 19 2HG GLN 19 -5.835 17.285 -2.177 130 HE21 GLN 19 1HE2 GLN 19 -4.308 18.624 -4.729 131 HE22 GLN 19 2HE2 GLN 19 -3.171 19.631 -3.906 132 H GLU 20 H GLU 20 -4.956 13.212 -4.229 133 HA GLU 20 HA GLU 20 -7.471 13.908 -5.591 134 HB2 GLU 20 1HB GLU 20 -4.726 13.258 -6.584 135 HB3 GLU 20 2HB GLU 20 -6.110 12.893 -7.605 136 HG2 GLU 20 1HG GLU 20 -5.105 15.070 -8.113 137 HG3 GLU 20 2HG GLU 20 -6.785 15.203 -7.599 138 H ASN 21 H ASN 21 -8.700 12.286 -6.584 139 HA ASN 21 HA ASN 21 -9.217 9.998 -5.240 140 HB2 ASN 21 1HB ASN 21 -9.462 10.545 -8.197 141 HB3 ASN 21 2HB ASN 21 -10.081 9.073 -7.456 142 HD21 ASN 21 1HD2 ASN 21 -11.477 9.509 -5.469 143 HD22 ASN 21 2HD2 ASN 21 -12.644 10.774 -5.632 144 H GLU 22 H GLU 22 -6.963 10.274 -7.976 145 HA GLU 22 HA GLU 22 -6.174 7.708 -8.350 146 HB2 GLU 22 1HB GLU 22 -3.940 8.573 -8.953 147 HB3 GLU 22 2HB GLU 22 -5.241 9.533 -9.642 148 HG2 GLU 22 1HG GLU 22 -4.945 11.203 -7.889 149 HG3 GLU 22 2HG GLU 22 -3.646 10.239 -7.189 150 H ASP 23 H ASP 23 -4.973 9.874 -5.807 151 HA ASP 23 HA ASP 23 -3.178 8.014 -4.662 152 HB2 ASP 23 1HB ASP 23 -4.546 10.396 -3.392 153 HB3 ASP 23 2HB ASP 23 -3.164 9.535 -2.719 154 H LEU 24 H LEU 24 -3.383 7.065 -2.487 155 HA LEU 24 HA LEU 24 -6.149 6.235 -1.904 156 HB2 LEU 24 1HB LEU 24 -5.267 4.299 -2.788 157 HB3 LEU 24 2HB LEU 24 -3.651 4.629 -2.167 158 HG LEU 24 HG LEU 24 -4.503 4.089 0.120 159 HD11 LEU 24 1HD1 LEU 24 -6.792 2.605 -0.942 160 HD12 LEU 24 2HD1 LEU 24 -6.977 4.358 -0.981 161 HD13 LEU 24 3HD1 LEU 24 -6.632 3.541 0.544 162 HD21 LEU 24 1HD2 LEU 24 -5.087 1.574 -1.073 163 HD22 LEU 24 2HD2 LEU 24 -3.598 2.108 -0.293 164 HD23 LEU 24 3HD2 LEU 24 -3.829 2.365 -2.023 165 H GLU 25 H GLU 25 -6.714 5.969 0.253 166 HA GLU 25 HA GLU 25 -4.951 7.342 2.137 167 HB2 GLU 25 1HB GLU 25 -7.397 7.975 1.814 168 HB3 GLU 25 2HB GLU 25 -7.794 6.468 2.629 169 HG2 GLU 25 1HG GLU 25 -6.990 7.194 4.660 170 HG3 GLU 25 2HG GLU 25 -5.934 8.401 3.929 171 H MET 26 H MET 26 -3.764 6.248 3.546 172 HA MET 26 HA MET 26 -4.678 3.583 4.396 173 HB2 MET 26 1HB MET 26 -2.045 3.212 4.560 174 HB3 MET 26 2HB MET 26 -2.948 2.868 3.091 175 HG2 MET 26 1HG MET 26 -2.374 5.209 2.342 176 HG3 MET 26 2HG MET 26 -1.255 5.269 3.702 177 HE1 MET 26 1HE MET 26 0.899 5.610 2.601 178 HE2 MET 26 2HE MET 26 1.154 4.220 3.656 179 HE3 MET 26 3HE MET 26 1.836 4.229 2.030 180 H ARG 27 H ARG 27 -3.729 2.868 6.459 181 HA ARG 27 HA ARG 27 -3.049 5.141 8.206 182 HB2 ARG 27 1HB ARG 27 -4.991 2.893 8.620 183 HB3 ARG 27 2HB ARG 27 -4.216 3.652 10.004 184 HG2 ARG 27 1HG ARG 27 -5.203 5.740 9.543 185 HG3 ARG 27 2HG ARG 27 -5.705 5.230 7.930 186 HD2 ARG 27 1HD ARG 27 -7.687 5.006 9.043 187 HD3 ARG 27 2HD ARG 27 -7.017 3.395 9.294 188 HE ARG 27 HE ARG 27 -6.356 5.278 11.368 189 HH11 ARG 27 2HH1 ARG 27 -8.678 2.945 10.235 190 HH12 ARG 27 1HH1 ARG 27 -9.332 2.637 11.809 191 HH21 ARG 27 2HH2 ARG 27 -7.209 4.881 13.447 192 HH22 ARG 27 1HH2 ARG 27 -8.496 3.739 13.635 193 HA PRO 28 HA PRO 28 0.458 2.906 9.603 194 HB2 PRO 28 1HB PRO 28 0.556 3.592 12.228 195 HB3 PRO 28 2HB PRO 28 0.956 4.718 10.925 196 HG2 PRO 28 1HG PRO 28 -1.588 4.447 12.481 197 HG3 PRO 28 2HG PRO 28 -0.723 5.918 11.997 198 HD2 PRO 28 1HD PRO 28 -2.898 5.004 10.669 199 HD3 PRO 28 2HD PRO 28 -1.577 5.867 9.857 200 H GLY 29 H GLY 29 -0.428 0.774 9.306 201 HA2 GLY 29 1HA GLY 29 -0.128 -1.201 10.869 202 HA3 GLY 29 2HA GLY 29 -1.428 -0.464 11.793 203 H ASP 30 H ASP 30 -1.787 -0.043 8.455 204 HA ASP 30 HA ASP 30 -3.938 -2.023 8.429 205 HB2 ASP 30 1HB ASP 30 -3.320 0.436 6.845 206 HB3 ASP 30 2HB ASP 30 -4.333 -0.808 6.118 207 H ILE 31 H ILE 31 -4.280 -3.252 6.382 208 HA ILE 31 HA ILE 31 -1.695 -4.258 5.405 209 HB ILE 31 HB ILE 31 -4.397 -5.607 5.447 210 HG12 ILE 31 1HG1 ILE 31 -3.188 -5.360 7.643 211 HG13 ILE 31 2HG1 ILE 31 -3.494 -7.023 7.157 212 HG21 ILE 31 1HG2 ILE 31 -1.923 -6.201 4.004 213 HG22 ILE 31 2HG2 ILE 31 -2.559 -7.556 4.935 214 HG23 ILE 31 3HG2 ILE 31 -3.568 -6.770 3.721 215 HD11 ILE 31 1HD1 ILE 31 -1.009 -5.716 7.735 216 HD12 ILE 31 2HD1 ILE 31 -1.348 -7.429 7.490 217 HD13 ILE 31 3HD1 ILE 31 -0.988 -6.395 6.108 218 H ILE 32 H ILE 32 -1.128 -3.743 3.407 219 HA ILE 32 HA ILE 32 -3.248 -3.120 1.455 220 HB ILE 32 HB ILE 32 -0.451 -1.993 1.609 221 HG12 ILE 32 1HG1 ILE 32 -2.042 0.154 1.660 222 HG13 ILE 32 2HG1 ILE 32 -3.154 -1.007 2.378 223 HG21 ILE 32 1HG2 ILE 32 -1.903 -0.534 -0.245 224 HG22 ILE 32 2HG2 ILE 32 -0.626 -1.699 -0.590 225 HG23 ILE 32 3HG2 ILE 32 -2.313 -2.213 -0.596 226 HD11 ILE 32 1HD1 ILE 32 -1.484 0.450 3.824 227 HD12 ILE 32 2HD1 ILE 32 -1.945 -1.190 4.284 228 HD13 ILE 32 3HD1 ILE 32 -0.407 -0.901 3.471 229 H THR 33 H THR 33 -3.415 -4.502 -0.170 230 HA THR 33 HA THR 33 -1.381 -6.502 -0.619 231 HB THR 33 HB THR 33 -3.970 -6.039 -2.112 232 HG1 THR 33 1HG THR 33 -4.789 -6.808 -0.318 233 HG21 THR 33 1HG2 THR 33 -3.040 -7.499 -3.549 234 HG22 THR 33 2HG2 THR 33 -3.371 -8.700 -2.300 235 HG23 THR 33 3HG2 THR 33 -1.775 -7.958 -2.409 236 H LEU 34 H LEU 34 0.302 -6.187 -1.906 237 HA LEU 34 HA LEU 34 0.551 -3.973 -3.648 238 HB2 LEU 34 1HB LEU 34 2.377 -5.357 -2.486 239 HB3 LEU 34 2HB LEU 34 2.205 -6.468 -3.843 240 HG LEU 34 HG LEU 34 2.696 -4.440 -5.328 241 HD11 LEU 34 1HD1 LEU 34 4.342 -2.958 -3.771 242 HD12 LEU 34 2HD1 LEU 34 3.030 -3.298 -2.643 243 HD13 LEU 34 3HD1 LEU 34 2.686 -2.509 -4.182 244 HD21 LEU 34 1HD2 LEU 34 4.353 -6.301 -3.998 245 HD22 LEU 34 2HD2 LEU 34 5.206 -4.757 -4.010 246 HD23 LEU 34 3HD2 LEU 34 4.651 -5.469 -5.525 247 H LEU 35 H LEU 35 -0.587 -3.744 -5.456 248 HA LEU 35 HA LEU 35 -1.277 -6.106 -7.040 249 HB2 LEU 35 1HB LEU 35 -2.225 -3.260 -7.326 250 HB3 LEU 35 2HB LEU 35 -2.847 -4.660 -8.197 251 HG LEU 35 HG LEU 35 -3.021 -4.424 -5.203 252 HD11 LEU 35 1HD1 LEU 35 -5.543 -3.934 -6.242 253 HD12 LEU 35 2HD1 LEU 35 -4.468 -2.930 -7.214 254 HD13 LEU 35 3HD1 LEU 35 -4.479 -2.766 -5.458 255 HD21 LEU 35 1HD2 LEU 35 -4.166 -6.203 -7.309 256 HD22 LEU 35 2HD2 LEU 35 -5.074 -5.914 -5.825 257 HD23 LEU 35 3HD2 LEU 35 -3.458 -6.617 -5.748 258 H GLU 36 H GLU 36 0.105 -2.855 -7.478 259 HA GLU 36 HA GLU 36 1.476 -3.872 -9.881 260 HB2 GLU 36 1HB GLU 36 -0.351 -2.101 -10.209 261 HB3 GLU 36 2HB GLU 36 0.764 -0.980 -9.439 262 HG2 GLU 36 1HG GLU 36 2.301 -1.118 -11.184 263 HG3 GLU 36 2HG GLU 36 1.594 -2.606 -11.811 264 H ASP 37 H ASP 37 3.633 -3.582 -10.025 265 HA ASP 37 HA ASP 37 4.946 -1.884 -8.016 266 HB2 ASP 37 1HB ASP 37 6.639 -3.583 -7.618 267 HB3 ASP 37 2HB ASP 37 5.043 -4.245 -7.276 268 H SER 38 H SER 38 4.419 -1.134 -10.642 269 HA SER 38 HA SER 38 6.892 -1.536 -12.136 270 HB2 SER 38 1HB SER 38 5.751 -0.413 -13.975 271 HB3 SER 38 2HB SER 38 4.714 -1.678 -13.317 272 HG SER 38 HG SER 38 4.504 0.957 -12.358 273 H ASN 39 H ASN 39 5.375 0.781 -10.101 274 HA ASN 39 HA ASN 39 7.360 2.815 -10.871 275 HB2 ASN 39 1HB ASN 39 4.672 3.108 -9.518 276 HB3 ASN 39 2HB ASN 39 5.825 4.426 -9.701 277 HD21 ASN 39 1HD2 ASN 39 3.139 4.203 -10.745 278 HD22 ASN 39 2HD2 ASN 39 3.268 4.332 -12.463 279 H GLU 40 H GLU 40 8.959 1.689 -9.582 280 HA GLU 40 HA GLU 40 8.975 0.900 -7.028 281 HB2 GLU 40 1HB GLU 40 11.028 2.680 -8.347 282 HB3 GLU 40 2HB GLU 40 11.289 1.858 -6.815 283 HG2 GLU 40 1HG GLU 40 11.037 -0.295 -7.894 284 HG3 GLU 40 2HG GLU 40 10.686 0.495 -9.430 285 H ASP 41 H ASP 41 9.098 4.300 -8.033 286 HA ASP 41 HA ASP 41 9.365 5.497 -5.549 287 HB2 ASP 41 1HB ASP 41 9.337 6.563 -7.899 288 HB3 ASP 41 2HB ASP 41 7.590 6.650 -7.688 289 H TRP 42 H TRP 42 6.325 4.827 -7.291 290 HA TRP 42 HA TRP 42 4.967 4.750 -4.678 291 HB2 TRP 42 1HB TRP 42 3.939 5.917 -7.271 292 HB3 TRP 42 2HB TRP 42 2.943 5.652 -5.842 293 HD1 TRP 42 HD TRP 42 6.444 7.308 -6.203 294 HE1 TRP 42 1HE TRP 42 6.342 9.614 -5.063 295 HE3 TRP 42 3HE TRP 42 1.525 7.308 -4.811 296 HZ2 TRP 42 2HZ TRP 42 4.429 11.220 -3.748 297 HZ3 TRP 42 3HZ TRP 42 0.638 9.267 -3.615 298 HH2 TRP 42 HH TRP 42 2.061 11.181 -3.095 299 H TRP 43 H TRP 43 3.758 2.994 -4.281 300 HA TRP 43 HA TRP 43 3.386 1.082 -6.490 301 HB2 TRP 43 1HB TRP 43 3.752 0.660 -3.525 302 HB3 TRP 43 2HB TRP 43 3.167 -0.611 -4.595 303 HD1 TRP 43 HD TRP 43 5.243 0.284 -7.020 304 HE1 TRP 43 1HE TRP 43 7.691 -0.480 -6.795 305 HE3 TRP 43 3HE TRP 43 5.351 -0.627 -1.990 306 HZ2 TRP 43 2HZ TRP 43 9.436 -1.354 -4.756 307 HZ3 TRP 43 3HZ TRP 43 7.448 -1.425 -0.981 308 HH2 TRP 43 HH TRP 43 9.447 -1.781 -2.337 309 H LYS 44 H LYS 44 1.413 -0.004 -6.707 310 HA LYS 44 HA LYS 44 -0.853 1.388 -5.459 311 HB2 LYS 44 1HB LYS 44 -0.514 1.193 -8.031 312 HB3 LYS 44 2HB LYS 44 -1.085 -0.457 -7.817 313 HG2 LYS 44 1HG LYS 44 -3.082 0.636 -6.600 314 HG3 LYS 44 2HG LYS 44 -2.552 2.115 -7.405 315 HD2 LYS 44 1HD LYS 44 -2.731 1.001 -9.574 316 HD3 LYS 44 2HD LYS 44 -3.242 -0.487 -8.773 317 HE2 LYS 44 1HE LYS 44 -5.229 0.520 -9.514 318 HE3 LYS 44 2HE LYS 44 -5.147 0.888 -7.792 319 HZ1 LYS 44 1HZ LYS 44 -4.260 2.744 -9.931 320 HZ2 LYS 44 2HZ LYS 44 -4.392 3.084 -8.279 321 HZ3 LYS 44 3HZ LYS 44 -5.784 2.801 -9.198 322 H GLY 45 H GLY 45 -2.429 0.300 -4.352 323 HA2 GLY 45 1HA GLY 45 -2.332 -2.619 -4.242 324 HA3 GLY 45 2HA GLY 45 -2.032 -1.756 -2.741 325 H LYS 46 H LYS 46 -4.093 -3.497 -2.810 326 HA LYS 46 HA LYS 46 -6.481 -1.787 -3.049 327 HB2 LYS 46 1HB LYS 46 -6.615 -3.696 -4.530 328 HB3 LYS 46 2HB LYS 46 -6.219 -4.794 -3.215 329 HG2 LYS 46 1HG LYS 46 -8.308 -4.605 -2.250 330 HG3 LYS 46 2HG LYS 46 -8.641 -3.057 -3.031 331 HD2 LYS 46 1HD LYS 46 -8.343 -5.614 -4.586 332 HD3 LYS 46 2HD LYS 46 -9.891 -5.090 -3.919 333 HE2 LYS 46 1HE LYS 46 -9.847 -3.085 -5.223 334 HE3 LYS 46 2HE LYS 46 -8.193 -3.399 -5.746 335 HZ1 LYS 46 1HZ LYS 46 -10.242 -5.404 -6.347 336 HZ2 LYS 46 2HZ LYS 46 -8.860 -4.979 -7.224 337 HZ3 LYS 46 3HZ LYS 46 -10.227 -3.983 -7.264 338 H ILE 47 H ILE 47 -7.326 -1.135 -1.193 339 HA ILE 47 HA ILE 47 -6.657 -2.583 1.265 340 HB ILE 47 HB ILE 47 -7.846 0.168 0.889 341 HG12 ILE 47 1HG1 ILE 47 -5.082 -0.771 1.678 342 HG13 ILE 47 2HG1 ILE 47 -5.523 0.120 0.226 343 HG21 ILE 47 1HG2 ILE 47 -8.679 -0.675 2.939 344 HG22 ILE 47 2HG2 ILE 47 -7.117 -1.372 3.368 345 HG23 ILE 47 3HG2 ILE 47 -7.326 0.379 3.349 346 HD11 ILE 47 1HD1 ILE 47 -4.518 1.665 1.691 347 HD12 ILE 47 2HD1 ILE 47 -6.251 1.991 1.745 348 HD13 ILE 47 3HD1 ILE 47 -5.479 1.105 3.060 349 H GLN 48 H GLN 48 -8.375 -2.724 2.942 350 HA GLN 48 HA GLN 48 -10.406 -4.338 2.429 351 HB2 GLN 48 1HB GLN 48 -10.436 -1.978 4.303 352 HB3 GLN 48 2HB GLN 48 -11.731 -3.167 4.265 353 HG2 GLN 48 1HG GLN 48 -9.702 -4.842 4.535 354 HG3 GLN 48 2HG GLN 48 -8.949 -3.417 5.251 355 HE21 GLN 48 1HE2 GLN 48 -9.649 -5.885 6.549 356 HE22 GLN 48 2HE2 GLN 48 -10.778 -5.494 7.796 357 H ASP 49 H ASP 49 -11.300 -0.915 2.771 358 HA ASP 49 HA ASP 49 -13.171 -1.277 0.521 359 HB2 ASP 49 1HB ASP 49 -13.511 0.012 3.189 360 HB3 ASP 49 2HB ASP 49 -14.353 0.724 1.815 361 H ARG 50 H ARG 50 -10.318 -0.121 0.906 362 HA ARG 50 HA ARG 50 -10.852 2.395 -0.532 363 HB2 ARG 50 1HB ARG 50 -8.770 1.797 1.562 364 HB3 ARG 50 2HB ARG 50 -8.608 3.145 0.445 365 HG2 ARG 50 1HG ARG 50 -11.057 2.812 2.137 366 HG3 ARG 50 2HG ARG 50 -9.603 3.599 2.756 367 HD2 ARG 50 1HD ARG 50 -9.713 5.101 0.723 368 HD3 ARG 50 2HD ARG 50 -11.318 4.432 0.428 369 HE ARG 50 HE ARG 50 -10.580 6.344 2.442 370 HH11 ARG 50 2HH1 ARG 50 -12.868 3.882 1.534 371 HH12 ARG 50 1HH1 ARG 50 -14.141 4.516 2.524 372 HH21 ARG 50 2HH2 ARG 50 -12.248 7.189 3.748 373 HH22 ARG 50 1HH2 ARG 50 -13.788 6.398 3.782 374 H ILE 51 H ILE 51 -9.417 2.942 -2.208 375 HA ILE 51 HA ILE 51 -7.369 1.016 -2.963 376 HB ILE 51 HB ILE 51 -9.648 1.707 -4.821 377 HG12 ILE 51 1HG1 ILE 51 -9.746 -0.937 -4.727 378 HG13 ILE 51 2HG1 ILE 51 -8.990 -0.688 -3.157 379 HG21 ILE 51 1HG2 ILE 51 -7.652 1.560 -6.099 380 HG22 ILE 51 2HG2 ILE 51 -7.124 0.121 -5.229 381 HG23 ILE 51 3HG2 ILE 51 -8.511 0.035 -6.315 382 HD11 ILE 51 1HD1 ILE 51 -10.927 0.975 -2.762 383 HD12 ILE 51 2HD1 ILE 51 -11.702 0.121 -4.097 384 HD13 ILE 51 3HD1 ILE 51 -11.233 -0.758 -2.642 385 H GLY 52 H GLY 52 -6.027 1.782 -4.767 386 HA2 GLY 52 1HA GLY 52 -5.901 3.929 -6.242 387 HA3 GLY 52 2HA GLY 52 -5.803 4.707 -4.670 388 H PHE 53 H PHE 53 -3.740 5.519 -5.461 389 HA PHE 53 HA PHE 53 -1.599 3.508 -5.463 390 HB2 PHE 53 1HB PHE 53 -1.647 6.361 -6.460 391 HB3 PHE 53 2HB PHE 53 -0.200 5.359 -6.421 392 HD1 PHE 53 2HD PHE 53 -0.062 3.340 -7.850 393 HD2 PHE 53 1HD PHE 53 -3.273 6.117 -8.160 394 HE1 PHE 53 2HE PHE 53 -0.637 2.424 -10.060 395 HE2 PHE 53 1HE PHE 53 -3.854 5.204 -10.370 396 HZ PHE 53 HZ PHE 53 -2.534 3.356 -11.323 397 H PHE 54 H PHE 54 0.520 4.348 -4.509 398 HA PHE 54 HA PHE 54 0.480 6.301 -2.465 399 HB2 PHE 54 1HB PHE 54 0.622 4.833 -0.500 400 HB3 PHE 54 2HB PHE 54 -0.930 4.662 -1.313 401 HD1 PHE 54 2HD PHE 54 2.437 3.104 -1.080 402 HD2 PHE 54 1HD PHE 54 -1.703 2.562 -1.905 403 HE1 PHE 54 2HE PHE 54 2.788 0.673 -1.224 404 HE2 PHE 54 1HE PHE 54 -1.359 0.130 -2.050 405 HZ PHE 54 HZ PHE 54 0.889 -0.817 -1.711 406 HA PRO 55 HA PRO 55 4.816 5.841 -2.979 407 HB2 PRO 55 1HB PRO 55 5.715 6.846 -0.623 408 HB3 PRO 55 2HB PRO 55 5.029 7.858 -1.899 409 HG2 PRO 55 1HG PRO 55 3.734 6.812 0.589 410 HG3 PRO 55 2HG PRO 55 3.627 8.427 -0.134 411 HD2 PRO 55 1HD PRO 55 1.685 6.564 -0.435 412 HD3 PRO 55 2HD PRO 55 2.059 7.765 -1.688 413 H ALA 56 H ALA 56 6.483 4.447 -2.532 414 HA ALA 56 HA ALA 56 5.858 2.119 -0.982 415 HB1 ALA 56 1HB ALA 56 8.448 1.758 -1.624 416 HB2 ALA 56 2HB ALA 56 7.110 1.416 -2.721 417 HB3 ALA 56 3HB ALA 56 7.986 2.942 -2.847 418 H ASN 57 H ASN 57 7.775 4.999 -0.518 419 HA ASN 57 HA ASN 57 9.387 4.117 1.610 420 HB2 ASN 57 1HB ASN 57 8.366 6.883 0.933 421 HB3 ASN 57 2HB ASN 57 9.592 6.554 2.154 422 HD21 ASN 57 1HD2 ASN 57 11.642 5.939 1.524 423 HD22 ASN 57 2HD2 ASN 57 12.197 6.088 -0.106 424 H PHE 58 H PHE 58 6.052 4.987 1.451 425 HA PHE 58 HA PHE 58 5.750 5.505 4.264 426 HB2 PHE 58 1HB PHE 58 3.885 5.271 1.932 427 HB3 PHE 58 2HB PHE 58 3.237 5.205 3.568 428 HD1 PHE 58 2HD PHE 58 5.906 7.258 1.960 429 HD2 PHE 58 1HD PHE 58 2.224 7.192 4.095 430 HE1 PHE 58 2HE PHE 58 5.925 9.716 2.061 431 HE2 PHE 58 1HE PHE 58 2.237 9.651 4.199 432 HZ PHE 58 HZ PHE 58 4.089 10.916 3.182 433 H VAL 59 H VAL 59 5.281 2.781 2.094 434 HA VAL 59 HA VAL 59 4.404 1.122 4.355 435 HB VAL 59 HB VAL 59 3.623 -0.491 2.755 436 HG11 VAL 59 1HG1 VAL 59 2.045 1.236 3.179 437 HG12 VAL 59 2HG1 VAL 59 2.852 2.336 2.060 438 HG13 VAL 59 3HG1 VAL 59 2.005 0.916 1.445 439 HG21 VAL 59 1HG2 VAL 59 4.911 1.271 0.675 440 HG22 VAL 59 2HG2 VAL 59 5.370 -0.376 1.106 441 HG23 VAL 59 3HG2 VAL 59 3.825 -0.071 0.313 442 H GLN 60 H GLN 60 5.183 -1.266 4.059 443 HA GLN 60 HA GLN 60 7.982 -1.374 3.218 444 HB2 GLN 60 1HB GLN 60 8.774 -2.228 5.284 445 HB3 GLN 60 2HB GLN 60 7.834 -0.794 5.676 446 HG2 GLN 60 1HG GLN 60 6.152 -1.993 6.663 447 HG3 GLN 60 2HG GLN 60 6.491 -3.447 5.726 448 HE21 GLN 60 1HE2 GLN 60 6.140 -4.143 8.107 449 HE22 GLN 60 2HE2 GLN 60 7.587 -4.342 9.029 450 H ARG 61 H ARG 61 8.704 -3.407 2.618 451 HA ARG 61 HA ARG 61 6.657 -5.258 1.842 452 HB2 ARG 61 1HB ARG 61 8.515 -4.926 0.353 453 HB3 ARG 61 2HB ARG 61 9.666 -5.341 1.616 454 HG2 ARG 61 1HG ARG 61 9.119 -7.612 1.532 455 HG3 ARG 61 2HG ARG 61 7.619 -7.306 0.655 456 HD2 ARG 61 1HD ARG 61 8.984 -8.078 -1.030 457 HD3 ARG 61 2HD ARG 61 9.212 -6.335 -1.166 458 HE ARG 61 HE ARG 61 11.137 -7.530 0.564 459 HH11 ARG 61 2HH1 ARG 61 10.328 -6.994 -2.779 460 HH12 ARG 61 1HH1 ARG 61 11.969 -7.088 -3.327 461 HH21 ARG 61 2HH2 ARG 61 13.301 -7.656 -0.144 462 HH22 ARG 61 1HH2 ARG 61 13.659 -7.465 -1.827 463 H LEU 62 H LEU 62 5.943 -6.978 2.917 464 HA LEU 62 HA LEU 62 7.251 -7.707 5.421 465 HB2 LEU 62 1HB LEU 62 4.550 -8.196 4.237 466 HB3 LEU 62 2HB LEU 62 5.131 -9.206 5.559 467 HG LEU 62 HG LEU 62 5.145 -6.236 5.873 468 HD11 LEU 62 1HD1 LEU 62 2.891 -7.037 4.983 469 HD12 LEU 62 2HD1 LEU 62 2.893 -6.127 6.493 470 HD13 LEU 62 3HD1 LEU 62 2.722 -7.882 6.521 471 HD21 LEU 62 1HD2 LEU 62 4.994 -6.733 8.173 472 HD22 LEU 62 2HD2 LEU 62 6.165 -7.876 7.513 473 HD23 LEU 62 3HD2 LEU 62 4.517 -8.402 7.862 474 H SER 63 H SER 63 7.412 -10.028 5.985 475 HA SER 63 HA SER 63 7.813 -11.780 3.668 476 HB2 SER 63 1HB SER 63 9.952 -12.593 4.756 477 HB3 SER 63 2HB SER 63 10.025 -10.968 4.077 478 HG SER 63 HG SER 63 10.763 -11.529 6.416 479 H GLY 64 H GLY 64 6.846 -13.674 3.958 480 HA2 GLY 64 1HA GLY 64 6.119 -15.601 5.013 481 HA3 GLY 64 2HA GLY 64 6.900 -15.044 6.485 482 HA PRO 65 HA PRO 65 2.136 -14.316 6.352 483 HB2 PRO 65 1HB PRO 65 1.204 -16.683 7.301 484 HB3 PRO 65 2HB PRO 65 1.382 -16.343 5.575 485 HG2 PRO 65 1HG PRO 65 3.198 -17.867 7.403 486 HG3 PRO 65 2HG PRO 65 2.691 -18.256 5.748 487 HD2 PRO 65 1HD PRO 65 5.097 -17.150 6.313 488 HD3 PRO 65 2HD PRO 65 4.221 -16.813 4.806 489 H SER 66 H SER 66 3.968 -16.361 8.617 490 HA SER 66 HA SER 66 2.511 -15.502 10.913 491 HB2 SER 66 1HB SER 66 3.625 -17.659 10.928 492 HB3 SER 66 2HB SER 66 5.190 -16.891 10.662 493 HG SER 66 HG SER 66 4.214 -15.726 12.772 494 H SER 67 H SER 67 2.744 -13.714 12.078 495 HA SER 67 HA SER 67 5.157 -12.079 11.651 496 HB2 SER 67 1HB SER 67 3.027 -11.050 10.877 497 HB3 SER 67 2HB SER 67 2.412 -11.146 12.527 498 HG SER 67 HG SER 67 3.335 -9.089 11.996 499 H GLY 68 H GLY 68 6.432 -11.645 13.340 500 HA2 GLY 68 1HA GLY 68 5.350 -11.807 16.053 501 HA3 GLY 68 2HA GLY 68 6.661 -12.903 15.643 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -13.886 -14.303 0.927 2 HA2 GLY 1 1HA GLY 1 -13.806 -17.144 0.703 3 HA3 GLY 1 2HA GLY 1 -12.501 -16.035 0.308 4 H SER 2 H SER 2 -12.893 -18.656 1.952 5 HA SER 2 HA SER 2 -12.164 -18.057 4.614 6 HB2 SER 2 1HB SER 2 -13.118 -20.228 3.959 7 HB3 SER 2 2HB SER 2 -11.668 -20.585 3.021 8 HG SER 2 HG SER 2 -10.663 -20.066 5.269 9 H SER 3 H SER 3 -10.203 -19.169 1.856 10 HA SER 3 HA SER 3 -7.754 -18.640 3.320 11 HB2 SER 3 1HB SER 3 -6.641 -19.505 1.267 12 HB3 SER 3 2HB SER 3 -7.825 -20.631 1.928 13 HG SER 3 HG SER 3 -8.660 -18.801 -0.016 14 H GLY 4 H GLY 4 -6.899 -16.677 3.388 15 HA2 GLY 4 1HA GLY 4 -7.757 -14.488 1.875 16 HA3 GLY 4 2HA GLY 4 -6.252 -14.562 2.779 17 H SER 5 H SER 5 -7.025 -13.465 0.066 18 HA SER 5 HA SER 5 -5.968 -14.929 -2.022 19 HB2 SER 5 1HB SER 5 -6.055 -11.960 -1.509 20 HB3 SER 5 2HB SER 5 -5.383 -12.621 -3.000 21 HG SER 5 HG SER 5 -7.332 -13.259 -3.621 22 H SER 6 H SER 6 -4.098 -16.016 -1.835 23 HA SER 6 HA SER 6 -1.844 -15.167 -0.386 24 HB2 SER 6 1HB SER 6 -0.666 -17.003 -1.463 25 HB3 SER 6 2HB SER 6 -2.294 -17.527 -1.031 26 HG SER 6 HG SER 6 -1.817 -18.168 -3.138 27 H GLY 7 H GLY 7 0.141 -14.314 -1.051 28 HA2 GLY 7 1HA GLY 7 1.217 -13.745 -3.420 29 HA3 GLY 7 2HA GLY 7 -0.062 -12.542 -3.353 30 H ASN 8 H ASN 8 1.253 -10.756 -3.255 31 HA ASN 8 HA ASN 8 3.273 -10.599 -1.162 32 HB2 ASN 8 1HB ASN 8 3.463 -8.197 -2.259 33 HB3 ASN 8 2HB ASN 8 4.160 -9.612 -3.043 34 HD21 ASN 8 1HD2 ASN 8 4.027 -8.784 -5.093 35 HD22 ASN 8 2HD2 ASN 8 2.528 -8.544 -5.917 36 H THR 9 H THR 9 3.212 -9.193 0.561 37 HA THR 9 HA THR 9 0.731 -7.660 0.953 38 HB THR 9 HB THR 9 0.987 -8.288 3.442 39 HG1 THR 9 1HG THR 9 3.090 -9.447 2.756 40 HG21 THR 9 1HG2 THR 9 -0.876 -9.396 2.929 41 HG22 THR 9 2HG2 THR 9 0.106 -10.780 2.448 42 HG23 THR 9 3HG2 THR 9 -0.348 -9.563 1.255 43 H TYR 10 H TYR 10 0.930 -5.735 2.059 44 HA TYR 10 HA TYR 10 3.571 -4.990 3.077 45 HB2 TYR 10 1HB TYR 10 2.052 -3.545 0.912 46 HB3 TYR 10 2HB TYR 10 3.274 -2.742 1.892 47 HD1 TYR 10 2HD TYR 10 2.851 -5.812 -0.198 48 HD2 TYR 10 1HD TYR 10 5.450 -2.710 1.115 49 HE1 TYR 10 2HE TYR 10 4.602 -6.647 -1.711 50 HE2 TYR 10 1HE TYR 10 7.207 -3.535 -0.395 51 HH TYR 10 HH TYR 10 6.611 -5.785 -2.853 52 H VAL 11 H VAL 11 3.489 -3.792 4.885 53 HA VAL 11 HA VAL 11 0.838 -2.970 5.838 54 HB VAL 11 HB VAL 11 2.082 -4.475 7.313 55 HG11 VAL 11 1HG1 VAL 11 4.067 -2.606 8.253 56 HG12 VAL 11 2HG1 VAL 11 4.261 -4.275 7.715 57 HG13 VAL 11 3HG1 VAL 11 4.291 -2.960 6.540 58 HG21 VAL 11 1HG2 VAL 11 1.667 -3.334 9.316 59 HG22 VAL 11 2HG2 VAL 11 2.072 -1.768 8.613 60 HG23 VAL 11 3HG2 VAL 11 0.577 -2.582 8.151 61 H ALA 12 H ALA 12 0.306 -0.892 6.037 62 HA ALA 12 HA ALA 12 2.036 1.158 5.100 63 HB1 ALA 12 1HB ALA 12 0.057 2.548 6.284 64 HB2 ALA 12 2HB ALA 12 -0.079 1.821 4.682 65 HB3 ALA 12 3HB ALA 12 -0.734 0.983 6.089 66 H LEU 13 H LEU 13 3.526 2.274 6.169 67 HA LEU 13 HA LEU 13 3.852 1.905 9.013 68 HB2 LEU 13 1HB LEU 13 5.431 3.584 7.071 69 HB3 LEU 13 2HB LEU 13 5.894 3.219 8.732 70 HG LEU 13 HG LEU 13 5.500 1.029 6.719 71 HD11 LEU 13 1HD1 LEU 13 8.174 1.311 6.768 72 HD12 LEU 13 2HD1 LEU 13 7.683 3.002 6.866 73 HD13 LEU 13 3HD1 LEU 13 7.139 2.002 5.519 74 HD21 LEU 13 1HD2 LEU 13 5.905 0.956 9.394 75 HD22 LEU 13 2HD2 LEU 13 7.567 0.906 8.806 76 HD23 LEU 13 3HD2 LEU 13 6.407 -0.314 8.278 77 H TYR 14 H TYR 14 3.078 4.565 6.813 78 HA TYR 14 HA TYR 14 2.143 6.104 9.143 79 HB2 TYR 14 1HB TYR 14 3.164 7.541 6.732 80 HB3 TYR 14 2HB TYR 14 3.130 8.059 8.414 81 HD1 TYR 14 2HD TYR 14 4.826 7.159 10.010 82 HD2 TYR 14 1HD TYR 14 5.056 6.426 5.825 83 HE1 TYR 14 2HE TYR 14 7.191 6.529 10.256 84 HE2 TYR 14 1HE TYR 14 7.421 5.792 6.060 85 HH TYR 14 HH TYR 14 9.273 6.118 7.568 86 H LYS 15 H LYS 15 0.442 7.652 8.669 87 HA LYS 15 HA LYS 15 -1.528 6.536 6.910 88 HB2 LYS 15 1HB LYS 15 -2.495 7.389 8.833 89 HB3 LYS 15 2HB LYS 15 -1.445 8.799 8.861 90 HG2 LYS 15 1HG LYS 15 -3.378 8.535 6.622 91 HG3 LYS 15 2HG LYS 15 -3.990 8.980 8.216 92 HD2 LYS 15 1HD LYS 15 -1.628 10.414 7.075 93 HD3 LYS 15 2HD LYS 15 -3.255 10.836 6.536 94 HE2 LYS 15 1HE LYS 15 -3.847 11.073 8.991 95 HE3 LYS 15 2HE LYS 15 -2.118 10.979 9.318 96 HZ1 LYS 15 1HZ LYS 15 -3.641 13.101 7.978 97 HZ2 LYS 15 2HZ LYS 15 -2.023 12.864 7.547 98 HZ3 LYS 15 3HZ LYS 15 -2.427 13.226 9.150 99 H PHE 16 H PHE 16 -2.360 7.378 5.030 100 HA PHE 16 HA PHE 16 -0.845 9.610 3.844 101 HB2 PHE 16 1HB PHE 16 -0.505 7.321 2.811 102 HB3 PHE 16 2HB PHE 16 -2.192 7.385 2.311 103 HD1 PHE 16 2HD PHE 16 -2.889 9.459 0.915 104 HD2 PHE 16 1HD PHE 16 1.133 8.159 1.422 105 HE1 PHE 16 2HE PHE 16 -2.240 10.686 -1.116 106 HE2 PHE 16 1HE PHE 16 1.789 9.386 -0.608 107 HZ PHE 16 HZ PHE 16 0.101 10.650 -1.880 108 H VAL 17 H VAL 17 -1.952 11.329 3.137 109 HA VAL 17 HA VAL 17 -4.890 11.185 3.225 110 HB VAL 17 HB VAL 17 -3.079 13.592 3.460 111 HG11 VAL 17 1HG1 VAL 17 -5.272 14.006 2.321 112 HG12 VAL 17 2HG1 VAL 17 -6.070 13.484 3.806 113 HG13 VAL 17 3HG1 VAL 17 -5.033 14.911 3.815 114 HG21 VAL 17 1HG2 VAL 17 -4.283 13.615 5.771 115 HG22 VAL 17 2HG2 VAL 17 -4.547 11.902 5.441 116 HG23 VAL 17 3HG2 VAL 17 -2.905 12.544 5.511 117 HA PRO 18 HA PRO 18 -4.280 11.508 -1.259 118 HB2 PRO 18 1HB PRO 18 -6.763 10.597 -1.870 119 HB3 PRO 18 2HB PRO 18 -5.416 9.523 -1.475 120 HG2 PRO 18 1HG PRO 18 -7.660 10.467 0.268 121 HG3 PRO 18 2HG PRO 18 -6.960 8.844 0.127 122 HD2 PRO 18 1HD PRO 18 -6.333 10.531 2.151 123 HD3 PRO 18 2HD PRO 18 -5.174 9.360 1.490 124 H GLN 19 H GLN 19 -4.335 13.588 -1.882 125 HA GLN 19 HA GLN 19 -6.352 15.429 -1.095 126 HB2 GLN 19 1HB GLN 19 -4.041 15.495 -2.991 127 HB3 GLN 19 2HB GLN 19 -5.246 16.774 -3.069 128 HG2 GLN 19 1HG GLN 19 -4.849 17.297 -0.719 129 HG3 GLN 19 2HG GLN 19 -3.645 16.012 -0.636 130 HE21 GLN 19 1HE2 GLN 19 -2.461 18.028 0.129 131 HE22 GLN 19 2HE2 GLN 19 -1.591 18.905 -1.079 132 H GLU 20 H GLU 20 -5.726 13.611 -4.066 133 HA GLU 20 HA GLU 20 -8.356 14.479 -5.069 134 HB2 GLU 20 1HB GLU 20 -5.972 13.473 -6.634 135 HB3 GLU 20 2HB GLU 20 -7.519 13.947 -7.322 136 HG2 GLU 20 1HG GLU 20 -5.897 15.859 -5.687 137 HG3 GLU 20 2HG GLU 20 -5.579 15.616 -7.404 138 H ASN 21 H ASN 21 -8.984 12.676 -6.899 139 HA ASN 21 HA ASN 21 -9.523 10.310 -5.322 140 HB2 ASN 21 1HB ASN 21 -11.126 11.611 -6.955 141 HB3 ASN 21 2HB ASN 21 -10.371 10.595 -8.179 142 HD21 ASN 21 1HD2 ASN 21 -12.455 9.676 -8.512 143 HD22 ASN 21 2HD2 ASN 21 -13.051 8.455 -7.445 144 H GLU 22 H GLU 22 -6.783 10.768 -6.179 145 HA GLU 22 HA GLU 22 -6.409 8.417 -7.917 146 HB2 GLU 22 1HB GLU 22 -4.511 10.742 -7.563 147 HB3 GLU 22 2HB GLU 22 -4.315 9.390 -8.669 148 HG2 GLU 22 1HG GLU 22 -6.174 10.109 -9.986 149 HG3 GLU 22 2HG GLU 22 -6.589 11.353 -8.808 150 H ASP 23 H ASP 23 -5.252 10.159 -5.080 151 HA ASP 23 HA ASP 23 -3.276 8.203 -4.395 152 HB2 ASP 23 1HB ASP 23 -4.399 10.649 -3.101 153 HB3 ASP 23 2HB ASP 23 -3.517 9.499 -2.100 154 H LEU 24 H LEU 24 -3.318 6.993 -2.338 155 HA LEU 24 HA LEU 24 -6.023 5.957 -1.798 156 HB2 LEU 24 1HB LEU 24 -4.915 4.150 -2.680 157 HB3 LEU 24 2HB LEU 24 -3.358 4.648 -2.020 158 HG LEU 24 HG LEU 24 -4.099 3.918 0.214 159 HD11 LEU 24 1HD1 LEU 24 -6.202 2.256 -0.140 160 HD12 LEU 24 2HD1 LEU 24 -6.638 3.577 -1.224 161 HD13 LEU 24 3HD1 LEU 24 -6.328 3.902 0.482 162 HD21 LEU 24 1HD2 LEU 24 -3.468 2.293 -2.032 163 HD22 LEU 24 2HD2 LEU 24 -4.612 1.417 -1.015 164 HD23 LEU 24 3HD2 LEU 24 -3.101 2.015 -0.330 165 H GLU 25 H GLU 25 -6.806 6.170 0.194 166 HA GLU 25 HA GLU 25 -5.197 7.419 2.234 167 HB2 GLU 25 1HB GLU 25 -7.634 7.942 1.772 168 HB3 GLU 25 2HB GLU 25 -8.021 6.394 2.510 169 HG2 GLU 25 1HG GLU 25 -7.444 7.092 4.615 170 HG3 GLU 25 2HG GLU 25 -6.343 8.333 4.020 171 H MET 26 H MET 26 -3.843 6.242 3.413 172 HA MET 26 HA MET 26 -4.765 3.619 4.388 173 HB2 MET 26 1HB MET 26 -2.151 3.221 4.491 174 HB3 MET 26 2HB MET 26 -3.066 2.918 3.020 175 HG2 MET 26 1HG MET 26 -2.464 5.286 2.337 176 HG3 MET 26 2HG MET 26 -1.311 5.261 3.670 177 HE1 MET 26 1HE MET 26 1.572 4.614 1.553 178 HE2 MET 26 2HE MET 26 0.644 5.692 2.595 179 HE3 MET 26 3HE MET 26 1.288 4.182 3.240 180 H ARG 27 H ARG 27 -3.720 2.932 6.429 181 HA ARG 27 HA ARG 27 -2.976 5.224 8.121 182 HB2 ARG 27 1HB ARG 27 -4.964 3.034 8.663 183 HB3 ARG 27 2HB ARG 27 -4.178 3.893 9.981 184 HG2 ARG 27 1HG ARG 27 -5.139 5.959 9.325 185 HG3 ARG 27 2HG ARG 27 -5.707 5.281 7.798 186 HD2 ARG 27 1HD ARG 27 -6.619 4.233 10.463 187 HD3 ARG 27 2HD ARG 27 -7.428 5.574 9.653 188 HE ARG 27 HE ARG 27 -7.132 3.293 7.957 189 HH11 ARG 27 2HH1 ARG 27 -9.064 4.686 10.496 190 HH12 ARG 27 1HH1 ARG 27 -10.494 3.808 10.068 191 HH21 ARG 27 2HH2 ARG 27 -9.009 2.130 7.384 192 HH22 ARG 27 1HH2 ARG 27 -10.461 2.353 8.299 193 HA PRO 28 HA PRO 28 0.466 2.875 9.495 194 HB2 PRO 28 1HB PRO 28 0.669 3.655 12.087 195 HB3 PRO 28 2HB PRO 28 1.086 4.709 10.732 196 HG2 PRO 28 1HG PRO 28 -1.424 4.622 12.362 197 HG3 PRO 28 2HG PRO 28 -0.504 6.029 11.799 198 HD2 PRO 28 1HD PRO 28 -2.756 5.171 10.564 199 HD3 PRO 28 2HD PRO 28 -1.418 5.939 9.685 200 H GLY 29 H GLY 29 -0.391 0.754 9.341 201 HA2 GLY 29 1HA GLY 29 -0.167 -1.109 11.073 202 HA3 GLY 29 2HA GLY 29 -1.541 -0.321 11.835 203 H ASP 30 H ASP 30 -2.182 0.198 8.744 204 HA ASP 30 HA ASP 30 -4.013 -2.043 8.598 205 HB2 ASP 30 1HB ASP 30 -3.677 0.532 7.116 206 HB3 ASP 30 2HB ASP 30 -4.587 -0.771 6.358 207 H ILE 31 H ILE 31 -4.188 -3.437 6.765 208 HA ILE 31 HA ILE 31 -1.580 -4.106 5.644 209 HB ILE 31 HB ILE 31 -4.198 -5.609 5.569 210 HG12 ILE 31 1HG1 ILE 31 -3.111 -5.470 7.795 211 HG13 ILE 31 2HG1 ILE 31 -3.148 -7.113 7.164 212 HG21 ILE 31 1HG2 ILE 31 -2.331 -7.448 4.947 213 HG22 ILE 31 2HG2 ILE 31 -3.257 -6.547 3.747 214 HG23 ILE 31 3HG2 ILE 31 -1.631 -6.021 4.184 215 HD11 ILE 31 1HD1 ILE 31 -0.812 -6.894 6.480 216 HD12 ILE 31 2HD1 ILE 31 -0.780 -5.257 7.137 217 HD13 ILE 31 3HD1 ILE 31 -1.021 -6.634 8.212 218 H ILE 32 H ILE 32 -1.171 -4.310 3.443 219 HA ILE 32 HA ILE 32 -3.232 -3.323 1.602 220 HB ILE 32 HB ILE 32 -0.390 -2.309 1.722 221 HG12 ILE 32 1HG1 ILE 32 -2.805 -0.556 1.749 222 HG13 ILE 32 2HG1 ILE 32 -2.393 -1.421 3.225 223 HG21 ILE 32 1HG2 ILE 32 -2.267 -2.476 -0.479 224 HG22 ILE 32 2HG2 ILE 32 -1.780 -0.815 -0.148 225 HG23 ILE 32 3HG2 ILE 32 -0.558 -2.041 -0.483 226 HD11 ILE 32 1HD1 ILE 32 -0.172 -0.400 3.191 227 HD12 ILE 32 2HD1 ILE 32 -0.609 0.483 1.728 228 HD13 ILE 32 3HD1 ILE 32 -1.456 0.808 3.240 229 H THR 33 H THR 33 -3.328 -4.387 -0.291 230 HA THR 33 HA THR 33 -1.411 -6.558 -0.708 231 HB THR 33 HB THR 33 -4.009 -6.081 -2.177 232 HG1 THR 33 1HG THR 33 -4.961 -7.396 -0.678 233 HG21 THR 33 1HG2 THR 33 -3.421 -8.796 -2.080 234 HG22 THR 33 2HG2 THR 33 -1.868 -8.024 -2.401 235 HG23 THR 33 3HG2 THR 33 -3.238 -7.731 -3.472 236 H LEU 34 H LEU 34 0.330 -5.821 -1.793 237 HA LEU 34 HA LEU 34 0.386 -3.749 -3.660 238 HB2 LEU 34 1HB LEU 34 2.312 -4.938 -2.444 239 HB3 LEU 34 2HB LEU 34 2.250 -6.098 -3.770 240 HG LEU 34 HG LEU 34 2.624 -4.139 -5.328 241 HD11 LEU 34 1HD1 LEU 34 3.983 -2.354 -3.807 242 HD12 LEU 34 2HD1 LEU 34 2.648 -2.771 -2.733 243 HD13 LEU 34 3HD1 LEU 34 2.317 -2.145 -4.348 244 HD21 LEU 34 1HD2 LEU 34 4.702 -4.911 -5.351 245 HD22 LEU 34 2HD2 LEU 34 4.418 -5.677 -3.788 246 HD23 LEU 34 3HD2 LEU 34 5.072 -4.041 -3.863 247 H LEU 35 H LEU 35 -0.595 -3.630 -5.559 248 HA LEU 35 HA LEU 35 -1.205 -6.088 -7.025 249 HB2 LEU 35 1HB LEU 35 -2.137 -3.277 -7.577 250 HB3 LEU 35 2HB LEU 35 -2.750 -4.757 -8.311 251 HG LEU 35 HG LEU 35 -3.038 -4.014 -5.400 252 HD11 LEU 35 1HD1 LEU 35 -4.618 -2.633 -6.173 253 HD12 LEU 35 2HD1 LEU 35 -5.544 -4.103 -6.470 254 HD13 LEU 35 3HD1 LEU 35 -4.615 -3.369 -7.776 255 HD21 LEU 35 1HD2 LEU 35 -3.867 -6.376 -7.039 256 HD22 LEU 35 2HD2 LEU 35 -4.817 -5.883 -5.637 257 HD23 LEU 35 3HD2 LEU 35 -3.121 -6.328 -5.441 258 H GLU 36 H GLU 36 -0.018 -2.806 -7.778 259 HA GLU 36 HA GLU 36 1.522 -3.982 -9.997 260 HB2 GLU 36 1HB GLU 36 -0.337 -2.143 -10.338 261 HB3 GLU 36 2HB GLU 36 0.947 -1.053 -9.833 262 HG2 GLU 36 1HG GLU 36 2.363 -1.883 -11.645 263 HG3 GLU 36 2HG GLU 36 1.067 -2.962 -12.156 264 H ASP 37 H ASP 37 3.680 -3.763 -10.030 265 HA ASP 37 HA ASP 37 4.922 -1.930 -8.091 266 HB2 ASP 37 1HB ASP 37 6.616 -3.597 -7.578 267 HB3 ASP 37 2HB ASP 37 5.017 -4.258 -7.254 268 H SER 38 H SER 38 4.392 -2.040 -11.115 269 HA SER 38 HA SER 38 6.713 -2.374 -12.569 270 HB2 SER 38 1HB SER 38 4.300 -1.715 -13.325 271 HB3 SER 38 2HB SER 38 4.892 -0.061 -13.166 272 HG SER 38 HG SER 38 6.701 -0.861 -14.545 273 H ASN 39 H ASN 39 5.608 0.531 -10.851 274 HA ASN 39 HA ASN 39 7.947 2.042 -11.539 275 HB2 ASN 39 1HB ASN 39 5.603 2.495 -9.713 276 HB3 ASN 39 2HB ASN 39 6.991 3.579 -9.673 277 HD21 ASN 39 1HD2 ASN 39 4.595 4.606 -10.304 278 HD22 ASN 39 2HD2 ASN 39 4.521 5.003 -11.983 279 H GLU 40 H GLU 40 9.286 3.068 -9.767 280 HA GLU 40 HA GLU 40 10.041 0.988 -7.826 281 HB2 GLU 40 1HB GLU 40 11.856 1.360 -9.306 282 HB3 GLU 40 2HB GLU 40 11.658 3.105 -9.232 283 HG2 GLU 40 1HG GLU 40 12.683 3.277 -7.185 284 HG3 GLU 40 2HG GLU 40 12.317 1.610 -6.742 285 H ASP 41 H ASP 41 9.301 4.383 -8.246 286 HA ASP 41 HA ASP 41 9.910 5.077 -5.517 287 HB2 ASP 41 1HB ASP 41 8.318 6.682 -7.524 288 HB3 ASP 41 2HB ASP 41 9.130 7.281 -6.080 289 H TRP 42 H TRP 42 6.862 5.329 -7.352 290 HA TRP 42 HA TRP 42 5.416 4.787 -4.852 291 HB2 TRP 42 1HB TRP 42 4.512 6.101 -7.422 292 HB3 TRP 42 2HB TRP 42 3.447 5.751 -6.064 293 HD1 TRP 42 HD TRP 42 6.957 7.425 -6.133 294 HE1 TRP 42 1HE TRP 42 6.783 9.663 -4.873 295 HE3 TRP 42 3HE TRP 42 1.965 7.352 -5.032 296 HZ2 TRP 42 2HZ TRP 42 4.793 11.194 -3.583 297 HZ3 TRP 42 3HZ TRP 42 1.005 9.241 -3.782 298 HH2 TRP 42 HH TRP 42 2.392 11.121 -3.072 299 H TRP 43 H TRP 43 3.874 3.187 -4.718 300 HA TRP 43 HA TRP 43 3.682 1.369 -7.029 301 HB2 TRP 43 1HB TRP 43 3.930 0.656 -4.102 302 HB3 TRP 43 2HB TRP 43 3.513 -0.500 -5.363 303 HD1 TRP 43 HD TRP 43 5.709 0.791 -7.479 304 HE1 TRP 43 1HE TRP 43 8.176 0.140 -7.139 305 HE3 TRP 43 3HE TRP 43 5.486 -0.712 -2.598 306 HZ2 TRP 43 2HZ TRP 43 9.811 -0.876 -5.074 307 HZ3 TRP 43 3HZ TRP 43 7.546 -1.510 -1.514 308 HH2 TRP 43 HH TRP 43 9.662 -1.591 -2.729 309 H LYS 44 H LYS 44 1.775 -0.242 -6.624 310 HA LYS 44 HA LYS 44 -0.531 1.301 -5.629 311 HB2 LYS 44 1HB LYS 44 -0.542 1.237 -8.071 312 HB3 LYS 44 2HB LYS 44 -0.410 -0.517 -8.042 313 HG2 LYS 44 1HG LYS 44 -2.594 -0.785 -7.253 314 HG3 LYS 44 2HG LYS 44 -2.713 0.903 -6.751 315 HD2 LYS 44 1HD LYS 44 -2.609 1.580 -9.126 316 HD3 LYS 44 2HD LYS 44 -2.584 -0.124 -9.587 317 HE2 LYS 44 1HE LYS 44 -4.760 -0.336 -8.277 318 HE3 LYS 44 2HE LYS 44 -4.797 1.426 -8.269 319 HZ1 LYS 44 1HZ LYS 44 -5.711 -0.246 -10.260 320 HZ2 LYS 44 2HZ LYS 44 -4.298 0.444 -10.882 321 HZ3 LYS 44 3HZ LYS 44 -5.555 1.437 -10.337 322 H GLY 45 H GLY 45 -2.199 0.152 -4.620 323 HA2 GLY 45 1HA GLY 45 -1.828 -2.722 -4.215 324 HA3 GLY 45 2HA GLY 45 -1.774 -1.696 -2.790 325 H LYS 46 H LYS 46 -3.602 -3.080 -2.136 326 HA LYS 46 HA LYS 46 -6.103 -1.790 -2.864 327 HB2 LYS 46 1HB LYS 46 -6.078 -3.610 -4.439 328 HB3 LYS 46 2HB LYS 46 -5.630 -4.756 -3.183 329 HG2 LYS 46 1HG LYS 46 -7.749 -4.804 -2.281 330 HG3 LYS 46 2HG LYS 46 -8.181 -3.227 -2.946 331 HD2 LYS 46 1HD LYS 46 -9.357 -4.567 -4.371 332 HD3 LYS 46 2HD LYS 46 -7.820 -4.508 -5.238 333 HE2 LYS 46 1HE LYS 46 -8.316 -6.644 -3.205 334 HE3 LYS 46 2HE LYS 46 -8.993 -6.796 -4.825 335 HZ1 LYS 46 1HZ LYS 46 -6.841 -6.743 -5.773 336 HZ2 LYS 46 2HZ LYS 46 -6.770 -7.851 -4.497 337 HZ3 LYS 46 3HZ LYS 46 -6.115 -6.303 -4.310 338 H ILE 47 H ILE 47 -7.161 -1.334 -1.056 339 HA ILE 47 HA ILE 47 -6.593 -2.939 1.345 340 HB ILE 47 HB ILE 47 -7.815 -0.190 1.350 341 HG12 ILE 47 1HG1 ILE 47 -4.887 -0.942 1.431 342 HG13 ILE 47 2HG1 ILE 47 -5.693 0.033 0.206 343 HG21 ILE 47 1HG2 ILE 47 -8.127 -1.255 3.418 344 HG22 ILE 47 2HG2 ILE 47 -6.506 -1.948 3.401 345 HG23 ILE 47 3HG2 ILE 47 -6.721 -0.216 3.651 346 HD11 ILE 47 1HD1 ILE 47 -4.956 1.775 1.375 347 HD12 ILE 47 2HD1 ILE 47 -6.254 1.396 2.509 348 HD13 ILE 47 3HD1 ILE 47 -4.623 0.793 2.801 349 H GLN 48 H GLN 48 -8.401 -3.128 2.910 350 HA GLN 48 HA GLN 48 -10.505 -4.546 2.103 351 HB2 GLN 48 1HB GLN 48 -10.623 -2.420 4.249 352 HB3 GLN 48 2HB GLN 48 -11.778 -3.733 4.067 353 HG2 GLN 48 1HG GLN 48 -8.840 -4.047 4.639 354 HG3 GLN 48 2HG GLN 48 -10.144 -4.193 5.816 355 HE21 GLN 48 1HE2 GLN 48 -8.050 -6.054 4.568 356 HE22 GLN 48 2HE2 GLN 48 -8.961 -7.464 4.163 357 H ASP 49 H ASP 49 -11.177 -1.148 2.899 358 HA ASP 49 HA ASP 49 -13.042 -1.084 0.619 359 HB2 ASP 49 1HB ASP 49 -13.169 0.360 3.272 360 HB3 ASP 49 2HB ASP 49 -14.252 0.686 1.921 361 H ARG 50 H ARG 50 -10.067 -0.214 1.206 362 HA ARG 50 HA ARG 50 -10.338 2.429 -0.069 363 HB2 ARG 50 1HB ARG 50 -8.568 1.489 2.135 364 HB3 ARG 50 2HB ARG 50 -7.906 2.651 0.992 365 HG2 ARG 50 1HG ARG 50 -8.749 3.963 2.716 366 HG3 ARG 50 2HG ARG 50 -10.000 4.039 1.474 367 HD2 ARG 50 1HD ARG 50 -10.955 3.702 3.704 368 HD3 ARG 50 2HD ARG 50 -11.286 2.337 2.638 369 HE ARG 50 HE ARG 50 -8.970 1.720 4.022 370 HH11 ARG 50 2HH1 ARG 50 -12.308 2.378 4.758 371 HH12 ARG 50 1HH1 ARG 50 -12.329 1.379 6.174 372 HH21 ARG 50 2HH2 ARG 50 -8.984 0.402 5.884 373 HH22 ARG 50 1HH2 ARG 50 -10.437 0.257 6.814 374 H ILE 51 H ILE 51 -9.011 2.898 -1.795 375 HA ILE 51 HA ILE 51 -6.988 0.986 -2.624 376 HB ILE 51 HB ILE 51 -9.313 1.633 -4.439 377 HG12 ILE 51 1HG1 ILE 51 -8.562 -0.972 -3.095 378 HG13 ILE 51 2HG1 ILE 51 -9.926 0.049 -2.653 379 HG21 ILE 51 1HG2 ILE 51 -7.390 1.398 -5.777 380 HG22 ILE 51 2HG2 ILE 51 -6.792 0.044 -4.819 381 HG23 ILE 51 3HG2 ILE 51 -8.206 -0.164 -5.851 382 HD11 ILE 51 1HD1 ILE 51 -9.780 -2.005 -4.616 383 HD12 ILE 51 2HD1 ILE 51 -11.176 -1.062 -4.093 384 HD13 ILE 51 3HD1 ILE 51 -10.157 -0.475 -5.408 385 H GLY 52 H GLY 52 -5.771 1.752 -4.540 386 HA2 GLY 52 1HA GLY 52 -5.686 3.852 -6.035 387 HA3 GLY 52 2HA GLY 52 -5.623 4.692 -4.493 388 H PHE 53 H PHE 53 -3.599 5.432 -5.746 389 HA PHE 53 HA PHE 53 -1.383 3.553 -5.534 390 HB2 PHE 53 1HB PHE 53 -1.053 6.407 -6.378 391 HB3 PHE 53 2HB PHE 53 -0.174 4.979 -6.912 392 HD1 PHE 53 2HD PHE 53 -1.340 3.339 -8.425 393 HD2 PHE 53 1HD PHE 53 -2.910 7.199 -7.560 394 HE1 PHE 53 2HE PHE 53 -2.782 3.193 -10.413 395 HE2 PHE 53 1HE PHE 53 -4.356 7.060 -9.546 396 HZ PHE 53 HZ PHE 53 -4.292 5.055 -10.976 397 H PHE 54 H PHE 54 0.595 4.133 -4.432 398 HA PHE 54 HA PHE 54 0.575 6.277 -2.517 399 HB2 PHE 54 1HB PHE 54 0.779 4.837 -0.525 400 HB3 PHE 54 2HB PHE 54 -0.787 4.650 -1.309 401 HD1 PHE 54 2HD PHE 54 2.507 3.078 -0.789 402 HD2 PHE 54 1HD PHE 54 -1.480 2.569 -2.187 403 HE1 PHE 54 2HE PHE 54 2.864 0.647 -0.909 404 HE2 PHE 54 1HE PHE 54 -1.130 0.136 -2.309 405 HZ PHE 54 HZ PHE 54 1.044 -0.827 -1.671 406 HA PRO 55 HA PRO 55 4.919 5.904 -3.034 407 HB2 PRO 55 1HB PRO 55 5.806 6.953 -0.693 408 HB3 PRO 55 2HB PRO 55 5.093 7.936 -1.977 409 HG2 PRO 55 1HG PRO 55 3.832 6.889 0.528 410 HG3 PRO 55 2HG PRO 55 3.686 8.494 -0.211 411 HD2 PRO 55 1HD PRO 55 1.784 6.586 -0.484 412 HD3 PRO 55 2HD PRO 55 2.126 7.782 -1.751 413 H ALA 56 H ALA 56 6.447 4.380 -2.745 414 HA ALA 56 HA ALA 56 5.926 2.129 -1.095 415 HB1 ALA 56 1HB ALA 56 8.204 2.956 -2.850 416 HB2 ALA 56 2HB ALA 56 8.348 1.544 -1.802 417 HB3 ALA 56 3HB ALA 56 7.084 1.605 -3.031 418 H ASN 57 H ASN 57 7.415 5.124 -0.493 419 HA ASN 57 HA ASN 57 9.195 4.210 1.581 420 HB2 ASN 57 1HB ASN 57 8.305 6.961 0.706 421 HB3 ASN 57 2HB ASN 57 9.420 6.690 2.042 422 HD21 ASN 57 1HD2 ASN 57 11.184 4.976 1.332 423 HD22 ASN 57 2HD2 ASN 57 11.990 5.384 -0.141 424 H PHE 58 H PHE 58 5.904 4.600 1.383 425 HA PHE 58 HA PHE 58 5.579 5.425 4.171 426 HB2 PHE 58 1HB PHE 58 3.790 5.296 1.792 427 HB3 PHE 58 2HB PHE 58 3.054 5.111 3.380 428 HD1 PHE 58 2HD PHE 58 5.787 7.284 2.063 429 HD2 PHE 58 1HD PHE 58 2.006 7.050 4.003 430 HE1 PHE 58 2HE PHE 58 5.783 9.728 2.341 431 HE2 PHE 58 1HE PHE 58 1.995 9.495 4.283 432 HZ PHE 58 HZ PHE 58 3.886 10.837 3.453 433 H VAL 59 H VAL 59 5.239 2.663 2.067 434 HA VAL 59 HA VAL 59 4.154 1.067 4.283 435 HB VAL 59 HB VAL 59 3.513 -0.588 2.671 436 HG11 VAL 59 1HG1 VAL 59 2.827 2.068 1.434 437 HG12 VAL 59 2HG1 VAL 59 1.858 0.593 1.453 438 HG13 VAL 59 3HG1 VAL 59 2.120 1.498 2.945 439 HG21 VAL 59 1HG2 VAL 59 4.757 1.092 0.504 440 HG22 VAL 59 2HG2 VAL 59 5.568 -0.285 1.249 441 HG23 VAL 59 3HG2 VAL 59 4.064 -0.524 0.360 442 H GLN 60 H GLN 60 5.055 -1.043 4.697 443 HA GLN 60 HA GLN 60 7.893 -1.263 3.938 444 HB2 GLN 60 1HB GLN 60 7.441 -0.570 6.340 445 HB3 GLN 60 2HB GLN 60 6.750 -2.170 6.577 446 HG2 GLN 60 1HG GLN 60 8.870 -2.551 7.294 447 HG3 GLN 60 2HG GLN 60 9.057 -2.950 5.587 448 HE21 GLN 60 1HE2 GLN 60 11.056 -2.069 7.501 449 HE22 GLN 60 2HE2 GLN 60 11.740 -0.620 6.856 450 H ARG 61 H ARG 61 8.347 -3.045 2.841 451 HA ARG 61 HA ARG 61 6.563 -5.009 2.125 452 HB2 ARG 61 1HB ARG 61 8.739 -4.638 1.025 453 HB3 ARG 61 2HB ARG 61 9.556 -5.321 2.424 454 HG2 ARG 61 1HG ARG 61 8.804 -7.475 1.967 455 HG3 ARG 61 2HG ARG 61 7.513 -6.900 0.909 456 HD2 ARG 61 1HD ARG 61 9.012 -7.623 -0.657 457 HD3 ARG 61 2HD ARG 61 9.541 -5.950 -0.479 458 HE ARG 61 HE ARG 61 10.962 -8.328 0.347 459 HH11 ARG 61 2HH1 ARG 61 10.642 -4.875 0.659 460 HH12 ARG 61 1HH1 ARG 61 12.263 -4.645 1.223 461 HH21 ARG 61 2HH2 ARG 61 13.099 -8.037 1.089 462 HH22 ARG 61 1HH2 ARG 61 13.661 -6.444 1.467 463 H LEU 62 H LEU 62 5.716 -6.763 3.056 464 HA LEU 62 HA LEU 62 6.591 -7.438 5.765 465 HB2 LEU 62 1HB LEU 62 4.081 -7.866 4.203 466 HB3 LEU 62 2HB LEU 62 4.434 -8.896 5.589 467 HG LEU 62 HG LEU 62 4.369 -5.899 5.811 468 HD11 LEU 62 1HD1 LEU 62 2.108 -7.853 5.805 469 HD12 LEU 62 2HD1 LEU 62 2.210 -6.253 5.072 470 HD13 LEU 62 3HD1 LEU 62 2.038 -6.412 6.820 471 HD21 LEU 62 1HD2 LEU 62 5.197 -6.502 7.806 472 HD22 LEU 62 2HD2 LEU 62 4.696 -8.183 7.620 473 HD23 LEU 62 3HD2 LEU 62 3.536 -6.971 8.168 474 H SER 63 H SER 63 8.054 -8.996 5.927 475 HA SER 63 HA SER 63 8.098 -11.140 3.928 476 HB2 SER 63 1HB SER 63 10.180 -9.752 4.552 477 HB3 SER 63 2HB SER 63 10.193 -10.690 6.045 478 HG SER 63 HG SER 63 9.986 -12.063 3.620 479 H GLY 64 H GLY 64 7.957 -10.588 7.418 480 HA2 GLY 64 1HA GLY 64 6.847 -11.900 8.994 481 HA3 GLY 64 2HA GLY 64 6.594 -13.125 7.759 482 HA PRO 65 HA PRO 65 9.743 -14.805 10.667 483 HB2 PRO 65 1HB PRO 65 8.755 -17.333 10.617 484 HB3 PRO 65 2HB PRO 65 8.139 -16.082 11.704 485 HG2 PRO 65 1HG PRO 65 7.028 -17.039 9.094 486 HG3 PRO 65 2HG PRO 65 6.175 -16.666 10.603 487 HD2 PRO 65 1HD PRO 65 6.259 -14.946 8.514 488 HD3 PRO 65 2HD PRO 65 6.195 -14.397 10.201 489 H SER 66 H SER 66 9.074 -15.002 7.438 490 HA SER 66 HA SER 66 10.755 -17.253 6.777 491 HB2 SER 66 1HB SER 66 9.112 -15.285 5.262 492 HB3 SER 66 2HB SER 66 10.452 -16.050 4.407 493 HG SER 66 HG SER 66 9.498 -18.084 5.282 494 H SER 67 H SER 67 12.857 -17.007 7.254 495 HA SER 67 HA SER 67 14.422 -15.149 5.758 496 HB2 SER 67 1HB SER 67 13.841 -14.599 8.634 497 HB3 SER 67 2HB SER 67 15.470 -14.277 8.038 498 HG SER 67 HG SER 67 13.055 -13.038 7.395 499 H GLY 68 H GLY 68 16.798 -15.315 6.421 500 HA2 GLY 68 1HA GLY 68 17.371 -17.974 7.560 501 HA3 GLY 68 2HA GLY 68 18.068 -17.497 6.019 Start of MODEL 10 1 H1 GLY 1 H GLY 1 1.696 -22.239 4.217 2 HA2 GLY 1 1HA GLY 1 -0.147 -24.491 4.342 3 HA3 GLY 1 2HA GLY 1 -0.544 -22.801 4.620 4 H SER 2 H SER 2 -1.397 -21.617 2.996 5 HA SER 2 HA SER 2 -2.735 -22.700 0.908 6 HB2 SER 2 1HB SER 2 -1.420 -19.979 1.032 7 HB3 SER 2 2HB SER 2 -2.587 -20.447 -0.204 8 HG SER 2 HG SER 2 -4.012 -19.816 1.202 9 H SER 3 H SER 3 -2.000 -24.065 -0.581 10 HA SER 3 HA SER 3 0.621 -24.332 -1.458 11 HB2 SER 3 1HB SER 3 -0.261 -25.717 -3.246 12 HB3 SER 3 2HB SER 3 -1.178 -26.029 -1.773 13 HG SER 3 HG SER 3 -2.142 -24.037 -3.456 14 H GLY 4 H GLY 4 1.872 -23.235 -2.828 15 HA2 GLY 4 1HA GLY 4 2.545 -21.736 -4.432 16 HA3 GLY 4 2HA GLY 4 0.965 -21.950 -5.171 17 H SER 5 H SER 5 2.588 -20.274 -2.492 18 HA SER 5 HA SER 5 0.479 -18.284 -2.384 19 HB2 SER 5 1HB SER 5 1.794 -19.245 -0.369 20 HB3 SER 5 2HB SER 5 3.071 -18.132 -0.862 21 HG SER 5 HG SER 5 1.874 -16.959 0.515 22 H SER 6 H SER 6 0.509 -16.966 -4.120 23 HA SER 6 HA SER 6 3.042 -15.579 -4.716 24 HB2 SER 6 1HB SER 6 2.299 -17.052 -6.563 25 HB3 SER 6 2HB SER 6 0.775 -16.167 -6.637 26 HG SER 6 HG SER 6 1.811 -14.919 -7.968 27 H GLY 7 H GLY 7 2.481 -13.997 -3.113 28 HA2 GLY 7 1HA GLY 7 1.072 -11.773 -4.221 29 HA3 GLY 7 2HA GLY 7 0.156 -12.531 -2.926 30 H ASN 8 H ASN 8 2.354 -10.161 -3.629 31 HA ASN 8 HA ASN 8 3.765 -10.277 -1.085 32 HB2 ASN 8 1HB ASN 8 3.948 -8.142 -3.218 33 HB3 ASN 8 2HB ASN 8 5.091 -8.449 -1.913 34 HD21 ASN 8 1HD2 ASN 8 6.772 -9.699 -2.329 35 HD22 ASN 8 2HD2 ASN 8 6.949 -10.722 -3.710 36 H THR 9 H THR 9 3.008 -9.341 0.684 37 HA THR 9 HA THR 9 0.930 -7.281 0.419 38 HB THR 9 HB THR 9 1.644 -8.797 2.930 39 HG1 THR 9 1HG THR 9 0.552 -10.430 2.157 40 HG21 THR 9 1HG2 THR 9 -0.505 -8.077 3.721 41 HG22 THR 9 2HG2 THR 9 -0.908 -7.389 2.148 42 HG23 THR 9 3HG2 THR 9 0.361 -6.660 3.130 43 H TYR 10 H TYR 10 1.027 -5.366 1.633 44 HA TYR 10 HA TYR 10 3.591 -4.763 2.929 45 HB2 TYR 10 1HB TYR 10 2.246 -3.127 0.777 46 HB3 TYR 10 2HB TYR 10 3.498 -2.483 1.833 47 HD1 TYR 10 2HD TYR 10 2.945 -5.475 -0.347 48 HD2 TYR 10 1HD TYR 10 5.644 -2.475 1.001 49 HE1 TYR 10 2HE TYR 10 4.669 -6.350 -1.869 50 HE2 TYR 10 1HE TYR 10 7.375 -3.341 -0.518 51 HH TYR 10 HH TYR 10 7.248 -4.750 -2.839 52 H VAL 11 H VAL 11 3.433 -3.579 4.752 53 HA VAL 11 HA VAL 11 0.736 -2.762 5.577 54 HB VAL 11 HB VAL 11 2.017 -4.365 7.021 55 HG11 VAL 11 1HG1 VAL 11 3.798 -3.420 8.450 56 HG12 VAL 11 2HG1 VAL 11 4.245 -3.471 6.743 57 HG13 VAL 11 3HG1 VAL 11 3.758 -1.946 7.483 58 HG21 VAL 11 1HG2 VAL 11 0.963 -1.746 7.985 59 HG22 VAL 11 2HG2 VAL 11 0.291 -3.366 8.169 60 HG23 VAL 11 3HG2 VAL 11 1.674 -2.870 9.144 61 H ALA 12 H ALA 12 0.309 -0.717 6.370 62 HA ALA 12 HA ALA 12 2.009 1.380 5.372 63 HB1 ALA 12 1HB ALA 12 -0.121 2.083 5.096 64 HB2 ALA 12 2HB ALA 12 -0.715 1.189 6.496 65 HB3 ALA 12 3HB ALA 12 0.122 2.725 6.721 66 H LEU 13 H LEU 13 3.453 2.556 6.468 67 HA LEU 13 HA LEU 13 3.883 1.941 9.283 68 HB2 LEU 13 1HB LEU 13 5.532 3.625 7.405 69 HB3 LEU 13 2HB LEU 13 6.003 3.093 9.018 70 HG LEU 13 HG LEU 13 5.375 1.058 6.923 71 HD11 LEU 13 1HD1 LEU 13 7.215 3.030 6.409 72 HD12 LEU 13 2HD1 LEU 13 7.204 1.416 5.698 73 HD13 LEU 13 3HD1 LEU 13 8.197 1.747 7.117 74 HD21 LEU 13 1HD2 LEU 13 7.538 0.967 8.988 75 HD22 LEU 13 2HD2 LEU 13 6.659 -0.360 8.229 76 HD23 LEU 13 3HD2 LEU 13 5.862 0.651 9.435 77 H TYR 14 H TYR 14 2.659 4.469 7.280 78 HA TYR 14 HA TYR 14 2.025 6.036 9.651 79 HB2 TYR 14 1HB TYR 14 3.145 7.542 7.323 80 HB3 TYR 14 2HB TYR 14 3.078 7.998 9.022 81 HD1 TYR 14 1HD TYR 14 4.918 6.078 6.493 82 HD2 TYR 14 2HD TYR 14 4.801 7.300 10.567 83 HE1 TYR 14 1HE TYR 14 7.253 5.354 6.771 84 HE2 TYR 14 2HE TYR 14 7.135 6.581 10.856 85 HH TYR 14 HH TYR 14 9.227 6.263 8.831 86 H LYS 15 H LYS 15 0.470 7.793 9.160 87 HA LYS 15 HA LYS 15 -1.597 6.810 7.436 88 HB2 LYS 15 1HB LYS 15 -2.285 7.817 9.485 89 HB3 LYS 15 2HB LYS 15 -1.349 9.270 9.162 90 HG2 LYS 15 1HG LYS 15 -2.860 10.031 7.555 91 HG3 LYS 15 2HG LYS 15 -3.606 8.442 7.374 92 HD2 LYS 15 1HD LYS 15 -4.657 8.605 9.505 93 HD3 LYS 15 2HD LYS 15 -3.725 10.045 9.923 94 HE2 LYS 15 1HE LYS 15 -4.962 11.409 8.525 95 HE3 LYS 15 2HE LYS 15 -5.490 10.066 7.512 96 HZ1 LYS 15 1HZ LYS 15 -6.375 9.922 10.258 97 HZ2 LYS 15 2HZ LYS 15 -7.238 9.662 8.827 98 HZ3 LYS 15 3HZ LYS 15 -7.000 11.237 9.396 99 H PHE 16 H PHE 16 -2.154 7.463 5.440 100 HA PHE 16 HA PHE 16 -0.500 9.551 4.202 101 HB2 PHE 16 1HB PHE 16 -0.433 7.275 3.191 102 HB3 PHE 16 2HB PHE 16 -2.155 7.411 2.850 103 HD1 PHE 16 1HD PHE 16 1.193 8.573 1.950 104 HD2 PHE 16 2HD PHE 16 -2.966 8.837 1.085 105 HE1 PHE 16 1HE PHE 16 1.711 9.668 -0.192 106 HE2 PHE 16 2HE PHE 16 -2.455 9.931 -1.058 107 HZ PHE 16 HZ PHE 16 -0.114 10.347 -1.700 108 H VAL 17 H VAL 17 -1.440 11.156 2.903 109 HA VAL 17 HA VAL 17 -4.346 11.503 3.255 110 HB VAL 17 HB VAL 17 -2.246 13.674 3.319 111 HG11 VAL 17 1HG1 VAL 17 -4.501 14.868 4.162 112 HG12 VAL 17 2HG1 VAL 17 -3.968 14.874 2.479 113 HG13 VAL 17 3HG1 VAL 17 -5.182 13.712 3.017 114 HG21 VAL 17 1HG2 VAL 17 -3.406 12.022 5.377 115 HG22 VAL 17 2HG2 VAL 17 -2.102 13.204 5.490 116 HG23 VAL 17 3HG2 VAL 17 -3.779 13.724 5.650 117 HA PRO 18 HA PRO 18 -3.702 11.494 -1.250 118 HB2 PRO 18 1HB PRO 18 -6.249 10.746 -1.817 119 HB3 PRO 18 2HB PRO 18 -4.988 9.593 -1.365 120 HG2 PRO 18 1HG PRO 18 -7.148 10.795 0.323 121 HG3 PRO 18 2HG PRO 18 -6.575 9.118 0.268 122 HD2 PRO 18 1HD PRO 18 -5.816 10.855 2.202 123 HD3 PRO 18 2HD PRO 18 -4.751 9.566 1.605 124 H GLN 19 H GLN 19 -3.664 13.465 -2.128 125 HA GLN 19 HA GLN 19 -5.407 15.570 -1.374 126 HB2 GLN 19 1HB GLN 19 -3.128 15.962 -2.210 127 HB3 GLN 19 2HB GLN 19 -3.600 15.345 -3.787 128 HG2 GLN 19 1HG GLN 19 -5.067 17.181 -4.154 129 HG3 GLN 19 2HG GLN 19 -4.879 17.736 -2.492 130 HE21 GLN 19 1HE2 GLN 19 -4.290 19.775 -3.425 131 HE22 GLN 19 2HE2 GLN 19 -2.677 20.034 -3.987 132 H GLU 20 H GLU 20 -5.382 13.273 -4.031 133 HA GLU 20 HA GLU 20 -8.062 14.219 -4.781 134 HB2 GLU 20 1HB GLU 20 -5.701 13.713 -6.555 135 HB3 GLU 20 2HB GLU 20 -7.327 13.452 -7.172 136 HG2 GLU 20 1HG GLU 20 -6.624 16.036 -5.852 137 HG3 GLU 20 2HG GLU 20 -6.162 15.737 -7.527 138 H ASN 21 H ASN 21 -9.394 12.602 -5.834 139 HA ASN 21 HA ASN 21 -9.664 10.247 -4.527 140 HB2 ASN 21 1HB ASN 21 -10.373 11.005 -7.348 141 HB3 ASN 21 2HB ASN 21 -10.731 9.393 -6.736 142 HD21 ASN 21 1HD2 ASN 21 -11.360 12.809 -6.345 143 HD22 ASN 21 2HD2 ASN 21 -12.841 12.632 -5.472 144 H GLU 22 H GLU 22 -7.824 10.703 -7.536 145 HA GLU 22 HA GLU 22 -7.026 8.211 -8.172 146 HB2 GLU 22 1HB GLU 22 -5.228 10.638 -8.026 147 HB3 GLU 22 2HB GLU 22 -4.863 9.167 -8.917 148 HG2 GLU 22 1HG GLU 22 -7.405 10.598 -9.494 149 HG3 GLU 22 2HG GLU 22 -5.892 11.258 -10.111 150 H ASP 23 H ASP 23 -5.585 10.185 -5.598 151 HA ASP 23 HA ASP 23 -3.695 8.212 -4.806 152 HB2 ASP 23 1HB ASP 23 -4.784 10.600 -3.300 153 HB3 ASP 23 2HB ASP 23 -3.400 9.634 -2.795 154 H LEU 24 H LEU 24 -3.671 7.169 -2.663 155 HA LEU 24 HA LEU 24 -6.379 6.337 -1.853 156 HB2 LEU 24 1HB LEU 24 -5.503 4.415 -2.762 157 HB3 LEU 24 2HB LEU 24 -3.858 4.802 -2.260 158 HG LEU 24 HG LEU 24 -4.698 4.339 0.127 159 HD11 LEU 24 1HD1 LEU 24 -6.924 4.051 0.204 160 HD12 LEU 24 2HD1 LEU 24 -6.540 2.402 -0.288 161 HD13 LEU 24 3HD1 LEU 24 -7.030 3.590 -1.495 162 HD21 LEU 24 1HD2 LEU 24 -3.526 2.470 -0.118 163 HD22 LEU 24 2HD2 LEU 24 -3.555 2.740 -1.860 164 HD23 LEU 24 3HD2 LEU 24 -4.794 1.740 -1.102 165 H GLU 25 H GLU 25 -6.847 6.178 0.315 166 HA GLU 25 HA GLU 25 -4.958 7.526 2.096 167 HB2 GLU 25 1HB GLU 25 -7.475 8.143 1.797 168 HB3 GLU 25 2HB GLU 25 -7.758 6.773 2.862 169 HG2 GLU 25 1HG GLU 25 -6.640 7.782 4.650 170 HG3 GLU 25 2HG GLU 25 -5.869 8.976 3.607 171 H MET 26 H MET 26 -3.867 6.484 3.632 172 HA MET 26 HA MET 26 -4.834 3.869 4.547 173 HB2 MET 26 1HB MET 26 -2.218 3.352 4.586 174 HB3 MET 26 2HB MET 26 -3.224 3.001 3.186 175 HG2 MET 26 1HG MET 26 -2.537 5.103 2.159 176 HG3 MET 26 2HG MET 26 -1.539 5.465 3.565 177 HE1 MET 26 1HE MET 26 0.555 5.353 3.582 178 HE2 MET 26 2HE MET 26 1.670 4.161 2.914 179 HE3 MET 26 3HE MET 26 1.066 5.471 1.898 180 H ARG 27 H ARG 27 -3.844 3.173 6.587 181 HA ARG 27 HA ARG 27 -2.908 5.451 8.205 182 HB2 ARG 27 1HB ARG 27 -5.087 3.491 8.703 183 HB3 ARG 27 2HB ARG 27 -4.102 3.963 10.082 184 HG2 ARG 27 1HG ARG 27 -4.643 6.303 9.685 185 HG3 ARG 27 2HG ARG 27 -5.608 5.847 8.279 186 HD2 ARG 27 1HD ARG 27 -7.213 6.065 9.931 187 HD3 ARG 27 2HD ARG 27 -6.878 4.334 9.957 188 HE ARG 27 HE ARG 27 -6.069 4.569 12.079 189 HH11 ARG 27 2HH1 ARG 27 -6.162 7.699 10.559 190 HH12 ARG 27 1HH1 ARG 27 -5.736 8.557 12.002 191 HH21 ARG 27 2HH2 ARG 27 -5.507 5.687 13.986 192 HH22 ARG 27 1HH2 ARG 27 -5.362 7.412 13.951 193 HA PRO 28 HA PRO 28 0.456 3.004 9.598 194 HB2 PRO 28 1HB PRO 28 0.628 3.662 12.226 195 HB3 PRO 28 2HB PRO 28 1.078 4.773 10.927 196 HG2 PRO 28 1HG PRO 28 -1.457 4.641 12.514 197 HG3 PRO 28 2HG PRO 28 -0.513 6.062 12.030 198 HD2 PRO 28 1HD PRO 28 -2.755 5.289 10.724 199 HD3 PRO 28 2HD PRO 28 -1.395 6.079 9.900 200 H GLY 29 H GLY 29 -0.693 0.963 9.270 201 HA2 GLY 29 1HA GLY 29 -0.439 -1.039 10.869 202 HA3 GLY 29 2HA GLY 29 -1.729 -0.237 11.752 203 H ASP 30 H ASP 30 -1.564 -0.242 8.261 204 HA ASP 30 HA ASP 30 -3.987 -1.911 8.220 205 HB2 ASP 30 1HB ASP 30 -3.861 0.556 7.287 206 HB3 ASP 30 2HB ASP 30 -3.158 -0.242 5.882 207 H ILE 31 H ILE 31 -4.270 -3.240 6.223 208 HA ILE 31 HA ILE 31 -1.690 -4.434 5.445 209 HB ILE 31 HB ILE 31 -4.401 -5.761 5.569 210 HG12 ILE 31 1HG1 ILE 31 -3.393 -5.264 7.786 211 HG13 ILE 31 2HG1 ILE 31 -3.528 -6.990 7.469 212 HG21 ILE 31 1HG2 ILE 31 -1.722 -6.661 4.606 213 HG22 ILE 31 2HG2 ILE 31 -2.833 -7.828 5.321 214 HG23 ILE 31 3HG2 ILE 31 -3.314 -6.913 3.892 215 HD11 ILE 31 1HD1 ILE 31 -1.425 -6.767 8.407 216 HD12 ILE 31 2HD1 ILE 31 -1.090 -6.810 6.676 217 HD13 ILE 31 3HD1 ILE 31 -1.086 -5.271 7.537 218 H ILE 32 H ILE 32 -1.236 -3.406 3.556 219 HA ILE 32 HA ILE 32 -3.307 -3.209 1.504 220 HB ILE 32 HB ILE 32 -0.484 -2.136 1.503 221 HG12 ILE 32 1HG1 ILE 32 -2.011 0.057 1.559 222 HG13 ILE 32 2HG1 ILE 32 -3.106 -1.041 2.393 223 HG21 ILE 32 1HG2 ILE 32 -1.631 -0.681 -0.360 224 HG22 ILE 32 2HG2 ILE 32 -0.956 -2.266 -0.735 225 HG23 ILE 32 3HG2 ILE 32 -2.693 -2.082 -0.492 226 HD11 ILE 32 1HD1 ILE 32 -0.516 -1.354 3.507 227 HD12 ILE 32 2HD1 ILE 32 -0.894 0.367 3.433 228 HD13 ILE 32 3HD1 ILE 32 -1.984 -0.740 4.267 229 H THR 33 H THR 33 -3.193 -4.210 -0.476 230 HA THR 33 HA THR 33 -1.244 -6.404 -0.668 231 HB THR 33 HB THR 33 -3.924 -6.100 -2.035 232 HG1 THR 33 1HG THR 33 -4.687 -7.309 -0.446 233 HG21 THR 33 1HG2 THR 33 -3.603 -8.282 -2.932 234 HG22 THR 33 2HG2 THR 33 -2.131 -8.523 -1.991 235 HG23 THR 33 3HG2 THR 33 -2.150 -7.359 -3.315 236 H LEU 34 H LEU 34 0.440 -5.892 -1.908 237 HA LEU 34 HA LEU 34 0.468 -3.853 -3.845 238 HB2 LEU 34 1HB LEU 34 2.398 -5.075 -2.577 239 HB3 LEU 34 2HB LEU 34 2.361 -6.159 -3.966 240 HG LEU 34 HG LEU 34 2.734 -4.144 -5.421 241 HD11 LEU 34 1HD1 LEU 34 2.698 -2.862 -2.765 242 HD12 LEU 34 2HD1 LEU 34 2.262 -2.217 -4.346 243 HD13 LEU 34 3HD1 LEU 34 3.958 -2.325 -3.876 244 HD21 LEU 34 1HD2 LEU 34 4.570 -5.572 -3.743 245 HD22 LEU 34 2HD2 LEU 34 5.154 -3.931 -4.018 246 HD23 LEU 34 3HD2 LEU 34 4.789 -4.979 -5.389 247 H LEU 35 H LEU 35 -0.755 -3.894 -5.618 248 HA LEU 35 HA LEU 35 -1.263 -6.415 -6.992 249 HB2 LEU 35 1HB LEU 35 -2.309 -3.680 -7.688 250 HB3 LEU 35 2HB LEU 35 -2.928 -5.237 -8.235 251 HG LEU 35 HG LEU 35 -2.997 -4.389 -5.348 252 HD11 LEU 35 1HD1 LEU 35 -4.409 -3.181 -7.440 253 HD12 LEU 35 2HD1 LEU 35 -4.720 -3.042 -5.710 254 HD13 LEU 35 3HD1 LEU 35 -5.549 -4.276 -6.658 255 HD21 LEU 35 1HD2 LEU 35 -3.262 -6.833 -6.213 256 HD22 LEU 35 2HD2 LEU 35 -4.866 -6.287 -6.700 257 HD23 LEU 35 3HD2 LEU 35 -4.381 -6.200 -5.006 258 H GLU 36 H GLU 36 0.044 -3.188 -7.718 259 HA GLU 36 HA GLU 36 1.446 -4.383 -10.019 260 HB2 GLU 36 1HB GLU 36 -0.456 -2.567 -10.343 261 HB3 GLU 36 2HB GLU 36 0.850 -1.459 -9.948 262 HG2 GLU 36 1HG GLU 36 2.164 -2.285 -11.796 263 HG3 GLU 36 2HG GLU 36 0.935 -3.496 -12.162 264 H ASP 37 H ASP 37 3.597 -4.075 -10.163 265 HA ASP 37 HA ASP 37 4.856 -2.176 -8.302 266 HB2 ASP 37 1HB ASP 37 6.568 -3.779 -7.733 267 HB3 ASP 37 2HB ASP 37 4.995 -4.507 -7.421 268 H SER 38 H SER 38 4.258 -1.907 -11.118 269 HA SER 38 HA SER 38 6.521 -2.414 -12.724 270 HB2 SER 38 1HB SER 38 4.292 -1.935 -13.662 271 HB3 SER 38 2HB SER 38 4.396 -0.281 -13.059 272 HG SER 38 HG SER 38 6.382 -0.167 -14.380 273 H ASN 39 H ASN 39 5.583 0.325 -10.718 274 HA ASN 39 HA ASN 39 7.867 1.897 -11.551 275 HB2 ASN 39 1HB ASN 39 5.686 2.355 -9.511 276 HB3 ASN 39 2HB ASN 39 7.016 3.483 -9.762 277 HD21 ASN 39 1HD2 ASN 39 3.932 3.187 -10.372 278 HD22 ASN 39 2HD2 ASN 39 3.812 3.915 -11.934 279 H GLU 40 H GLU 40 8.932 3.050 -9.451 280 HA GLU 40 HA GLU 40 9.874 0.860 -7.719 281 HB2 GLU 40 1HB GLU 40 11.650 1.370 -9.236 282 HB3 GLU 40 2HB GLU 40 11.443 3.099 -8.994 283 HG2 GLU 40 1HG GLU 40 12.479 3.075 -6.940 284 HG3 GLU 40 2HG GLU 40 12.152 1.363 -6.677 285 H ASP 41 H ASP 41 9.431 4.366 -8.002 286 HA ASP 41 HA ASP 41 9.885 4.889 -5.238 287 HB2 ASP 41 1HB ASP 41 10.155 6.588 -7.042 288 HB3 ASP 41 2HB ASP 41 8.405 6.595 -7.251 289 H TRP 42 H TRP 42 6.883 5.135 -7.154 290 HA TRP 42 HA TRP 42 5.362 4.682 -4.685 291 HB2 TRP 42 1HB TRP 42 4.531 5.832 -7.355 292 HB3 TRP 42 2HB TRP 42 3.419 5.529 -6.023 293 HD1 TRP 42 HD TRP 42 6.845 7.369 -6.230 294 HE1 TRP 42 1HE TRP 42 6.591 9.631 -5.028 295 HE3 TRP 42 3HE TRP 42 1.927 7.023 -4.880 296 HZ2 TRP 42 2HZ TRP 42 4.573 11.077 -3.685 297 HZ3 TRP 42 3HZ TRP 42 0.910 8.888 -3.638 298 HH2 TRP 42 HH TRP 42 2.208 10.872 -3.053 299 H TRP 43 H TRP 43 3.734 3.124 -4.574 300 HA TRP 43 HA TRP 43 3.638 1.184 -6.781 301 HB2 TRP 43 1HB TRP 43 4.051 0.601 -3.848 302 HB3 TRP 43 2HB TRP 43 3.514 -0.621 -4.996 303 HD1 TRP 43 HD TRP 43 5.562 0.579 -7.344 304 HE1 TRP 43 1HE TRP 43 8.031 -0.127 -7.179 305 HE3 TRP 43 3HE TRP 43 5.681 -0.815 -2.426 306 HZ2 TRP 43 2HZ TRP 43 9.796 -1.142 -5.223 307 HZ3 TRP 43 3HZ TRP 43 7.799 -1.642 -1.486 308 HH2 TRP 43 HH TRP 43 9.812 -1.802 -2.858 309 H LYS 44 H LYS 44 1.701 -0.033 -6.936 310 HA LYS 44 HA LYS 44 -0.591 1.319 -5.705 311 HB2 LYS 44 1HB LYS 44 -0.605 1.241 -8.139 312 HB3 LYS 44 2HB LYS 44 -0.427 -0.508 -8.108 313 HG2 LYS 44 1HG LYS 44 -2.605 -0.853 -7.427 314 HG3 LYS 44 2HG LYS 44 -2.764 0.775 -6.765 315 HD2 LYS 44 1HD LYS 44 -2.482 1.556 -9.206 316 HD3 LYS 44 2HD LYS 44 -2.856 -0.117 -9.628 317 HE2 LYS 44 1HE LYS 44 -4.926 0.959 -9.695 318 HE3 LYS 44 2HE LYS 44 -4.909 0.166 -8.120 319 HZ1 LYS 44 1HZ LYS 44 -3.795 2.730 -7.860 320 HZ2 LYS 44 2HZ LYS 44 -5.208 2.121 -7.158 321 HZ3 LYS 44 3HZ LYS 44 -5.273 2.874 -8.671 322 H GLY 45 H GLY 45 -2.240 0.176 -4.673 323 HA2 GLY 45 1HA GLY 45 -1.977 -2.697 -4.320 324 HA3 GLY 45 2HA GLY 45 -1.707 -1.734 -2.875 325 H LYS 46 H LYS 46 -3.660 -3.457 -2.624 326 HA LYS 46 HA LYS 46 -6.125 -1.887 -3.009 327 HB2 LYS 46 1HB LYS 46 -6.165 -3.898 -4.390 328 HB3 LYS 46 2HB LYS 46 -5.802 -4.893 -2.987 329 HG2 LYS 46 1HG LYS 46 -7.987 -3.849 -2.027 330 HG3 LYS 46 2HG LYS 46 -8.338 -3.511 -3.724 331 HD2 LYS 46 1HD LYS 46 -9.279 -5.584 -3.554 332 HD3 LYS 46 2HD LYS 46 -7.635 -6.051 -3.993 333 HE2 LYS 46 1HE LYS 46 -7.095 -6.415 -1.650 334 HE3 LYS 46 2HE LYS 46 -8.708 -5.884 -1.178 335 HZ1 LYS 46 1HZ LYS 46 -8.868 -7.955 -3.103 336 HZ2 LYS 46 2HZ LYS 46 -9.494 -7.910 -1.532 337 HZ3 LYS 46 3HZ LYS 46 -7.913 -8.453 -1.798 338 H ILE 47 H ILE 47 -7.120 -1.278 -1.206 339 HA ILE 47 HA ILE 47 -6.291 -2.501 1.329 340 HB ILE 47 HB ILE 47 -7.691 0.120 0.790 341 HG12 ILE 47 1HG1 ILE 47 -4.873 -0.624 1.555 342 HG13 ILE 47 2HG1 ILE 47 -5.412 0.343 0.186 343 HG21 ILE 47 1HG2 ILE 47 -7.270 0.519 3.235 344 HG22 ILE 47 2HG2 ILE 47 -8.503 -0.688 2.871 345 HG23 ILE 47 3HG2 ILE 47 -6.892 -1.197 3.375 346 HD11 ILE 47 1HD1 ILE 47 -5.174 1.105 3.061 347 HD12 ILE 47 2HD1 ILE 47 -4.552 1.922 1.627 348 HD13 ILE 47 3HD1 ILE 47 -6.277 1.974 1.993 349 H GLN 48 H GLN 48 -7.978 -2.706 3.025 350 HA GLN 48 HA GLN 48 -9.868 -4.509 2.617 351 HB2 GLN 48 1HB GLN 48 -10.112 -2.063 4.363 352 HB3 GLN 48 2HB GLN 48 -11.269 -3.387 4.412 353 HG2 GLN 48 1HG GLN 48 -8.319 -3.717 4.894 354 HG3 GLN 48 2HG GLN 48 -9.509 -3.466 6.171 355 HE21 GLN 48 1HE2 GLN 48 -7.897 -5.727 4.311 356 HE22 GLN 48 2HE2 GLN 48 -8.857 -7.112 4.689 357 H ASP 49 H ASP 49 -11.051 -1.163 2.796 358 HA ASP 49 HA ASP 49 -12.909 -1.803 0.599 359 HB2 ASP 49 1HB ASP 49 -14.040 -1.529 2.779 360 HB3 ASP 49 2HB ASP 49 -13.362 0.092 2.914 361 H ARG 50 H ARG 50 -10.149 -0.377 0.911 362 HA ARG 50 HA ARG 50 -10.894 1.966 -0.712 363 HB2 ARG 50 1HB ARG 50 -8.704 1.732 1.356 364 HB3 ARG 50 2HB ARG 50 -8.829 3.064 0.214 365 HG2 ARG 50 1HG ARG 50 -11.252 3.264 1.201 366 HG3 ARG 50 2HG ARG 50 -10.526 2.416 2.567 367 HD2 ARG 50 1HD ARG 50 -10.096 4.562 3.198 368 HD3 ARG 50 2HD ARG 50 -8.650 4.254 2.237 369 HE ARG 50 HE ARG 50 -9.335 5.915 0.847 370 HH11 ARG 50 2HH1 ARG 50 -12.143 4.586 2.419 371 HH12 ARG 50 1HH1 ARG 50 -13.245 5.698 1.678 372 HH21 ARG 50 2HH2 ARG 50 -10.776 7.386 -0.134 373 HH22 ARG 50 1HH2 ARG 50 -12.467 7.290 0.225 374 H ILE 51 H ILE 51 -9.346 2.609 -2.321 375 HA ILE 51 HA ILE 51 -7.166 0.810 -2.945 376 HB ILE 51 HB ILE 51 -9.553 1.056 -4.775 377 HG12 ILE 51 1HG1 ILE 51 -9.121 -1.548 -4.666 378 HG13 ILE 51 2HG1 ILE 51 -8.329 -1.135 -3.149 379 HG21 ILE 51 1HG2 ILE 51 -8.100 -0.483 -6.242 380 HG22 ILE 51 2HG2 ILE 51 -7.767 1.248 -6.252 381 HG23 ILE 51 3HG2 ILE 51 -6.747 0.159 -5.313 382 HD11 ILE 51 1HD1 ILE 51 -10.368 -1.417 -2.283 383 HD12 ILE 51 2HD1 ILE 51 -10.669 0.207 -2.903 384 HD13 ILE 51 3HD1 ILE 51 -11.170 -1.202 -3.839 385 H GLY 52 H GLY 52 -5.721 1.642 -4.513 386 HA2 GLY 52 1HA GLY 52 -5.843 3.662 -6.246 387 HA3 GLY 52 2HA GLY 52 -5.843 4.543 -4.725 388 H PHE 53 H PHE 53 -3.848 5.446 -5.738 389 HA PHE 53 HA PHE 53 -1.533 3.679 -5.654 390 HB2 PHE 53 1HB PHE 53 -1.653 6.621 -6.346 391 HB3 PHE 53 2HB PHE 53 -0.302 5.528 -6.629 392 HD1 PHE 53 2HD PHE 53 -0.749 3.514 -8.176 393 HD2 PHE 53 1HD PHE 53 -3.231 6.967 -7.998 394 HE1 PHE 53 2HE PHE 53 -1.651 2.976 -10.401 395 HE2 PHE 53 1HE PHE 53 -4.138 6.434 -10.223 396 HZ PHE 53 HZ PHE 53 -3.347 4.437 -11.428 397 H PHE 54 H PHE 54 0.469 4.514 -4.572 398 HA PHE 54 HA PHE 54 0.339 6.398 -2.479 399 HB2 PHE 54 1HB PHE 54 0.349 4.938 -0.535 400 HB3 PHE 54 2HB PHE 54 -1.123 4.676 -1.465 401 HD1 PHE 54 2HD PHE 54 2.201 3.281 -0.678 402 HD2 PHE 54 1HD PHE 54 -1.633 2.565 -2.381 403 HE1 PHE 54 2HE PHE 54 2.698 0.873 -0.776 404 HE2 PHE 54 1HE PHE 54 -1.143 0.156 -2.481 405 HZ PHE 54 HZ PHE 54 1.026 -0.693 -1.679 406 HA PRO 55 HA PRO 55 4.693 5.947 -2.823 407 HB2 PRO 55 1HB PRO 55 5.495 6.889 -0.406 408 HB3 PRO 55 2HB PRO 55 4.861 7.935 -1.682 409 HG2 PRO 55 1HG PRO 55 3.467 6.824 0.723 410 HG3 PRO 55 2HG PRO 55 3.388 8.459 0.039 411 HD2 PRO 55 1HD PRO 55 1.461 6.606 -0.390 412 HD3 PRO 55 2HD PRO 55 1.885 7.839 -1.594 413 H ALA 56 H ALA 56 6.236 4.436 -2.465 414 HA ALA 56 HA ALA 56 5.571 2.137 -0.895 415 HB1 ALA 56 1HB ALA 56 7.973 1.472 -1.603 416 HB2 ALA 56 2HB ALA 56 6.714 1.590 -2.832 417 HB3 ALA 56 3HB ALA 56 7.880 2.898 -2.638 418 H ASN 57 H ASN 57 7.471 4.994 -0.407 419 HA ASN 57 HA ASN 57 9.147 4.036 1.662 420 HB2 ASN 57 1HB ASN 57 9.308 6.223 0.262 421 HB3 ASN 57 2HB ASN 57 8.236 6.893 1.488 422 HD21 ASN 57 1HD2 ASN 57 11.367 5.441 0.913 423 HD22 ASN 57 2HD2 ASN 57 12.126 6.054 2.339 424 H PHE 58 H PHE 58 5.834 4.952 1.563 425 HA PHE 58 HA PHE 58 5.602 5.486 4.387 426 HB2 PHE 58 1HB PHE 58 3.667 5.301 2.101 427 HB3 PHE 58 2HB PHE 58 3.076 5.307 3.759 428 HD1 PHE 58 2HD PHE 58 5.792 7.191 2.029 429 HD2 PHE 58 1HD PHE 58 2.160 7.353 4.242 430 HE1 PHE 58 2HE PHE 58 5.926 9.647 2.062 431 HE2 PHE 58 1HE PHE 58 2.288 9.810 4.278 432 HZ PHE 58 HZ PHE 58 4.174 10.960 3.188 433 H VAL 59 H VAL 59 5.137 2.775 2.228 434 HA VAL 59 HA VAL 59 4.106 1.141 4.437 435 HB VAL 59 HB VAL 59 3.436 -0.482 2.806 436 HG11 VAL 59 1HG1 VAL 59 2.063 1.035 1.228 437 HG12 VAL 59 2HG1 VAL 59 1.778 1.138 2.967 438 HG13 VAL 59 3HG1 VAL 59 2.757 2.362 2.158 439 HG21 VAL 59 1HG2 VAL 59 4.821 1.226 0.740 440 HG22 VAL 59 2HG2 VAL 59 5.400 -0.326 1.346 441 HG23 VAL 59 3HG2 VAL 59 3.898 -0.244 0.425 442 H GLN 60 H GLN 60 4.930 -1.158 4.480 443 HA GLN 60 HA GLN 60 7.808 -1.258 3.874 444 HB2 GLN 60 1HB GLN 60 7.124 -0.866 6.348 445 HB3 GLN 60 2HB GLN 60 6.659 -2.562 6.323 446 HG2 GLN 60 1HG GLN 60 9.369 -1.837 5.353 447 HG3 GLN 60 2HG GLN 60 9.056 -1.786 7.087 448 HE21 GLN 60 1HE2 GLN 60 7.636 -3.830 7.729 449 HE22 GLN 60 2HE2 GLN 60 8.327 -5.331 7.224 450 H ARG 61 H ARG 61 8.518 -3.078 2.923 451 HA ARG 61 HA ARG 61 6.651 -4.951 1.904 452 HB2 ARG 61 1HB ARG 61 8.596 -4.500 0.605 453 HB3 ARG 61 2HB ARG 61 9.665 -4.887 1.946 454 HG2 ARG 61 1HG ARG 61 9.399 -7.158 1.681 455 HG3 ARG 61 2HG ARG 61 7.844 -6.986 0.864 456 HD2 ARG 61 1HD ARG 61 9.198 -7.531 -0.906 457 HD3 ARG 61 2HD ARG 61 9.289 -5.771 -0.955 458 HE ARG 61 HE ARG 61 11.371 -6.550 0.648 459 HH11 ARG 61 2HH1 ARG 61 10.350 -7.210 -2.615 460 HH12 ARG 61 1HH1 ARG 61 11.959 -7.458 -3.207 461 HH21 ARG 61 2HH2 ARG 61 13.494 -6.874 -0.120 462 HH22 ARG 61 1HH2 ARG 61 13.747 -7.268 -1.786 463 H LEU 62 H LEU 62 5.939 -6.824 2.704 464 HA LEU 62 HA LEU 62 7.099 -7.770 5.228 465 HB2 LEU 62 1HB LEU 62 4.402 -8.057 3.958 466 HB3 LEU 62 2HB LEU 62 4.920 -9.156 5.235 467 HG LEU 62 HG LEU 62 3.556 -7.444 6.202 468 HD11 LEU 62 1HD1 LEU 62 5.024 -6.596 7.886 469 HD12 LEU 62 2HD1 LEU 62 6.425 -6.781 6.832 470 HD13 LEU 62 3HD1 LEU 62 5.581 -8.207 7.436 471 HD21 LEU 62 1HD2 LEU 62 3.451 -5.425 5.293 472 HD22 LEU 62 2HD2 LEU 62 4.851 -5.777 4.279 473 HD23 LEU 62 3HD2 LEU 62 5.077 -5.091 5.889 474 H SER 63 H SER 63 8.829 -8.964 4.435 475 HA SER 63 HA SER 63 8.273 -11.123 2.550 476 HB2 SER 63 1HB SER 63 10.762 -9.825 3.594 477 HB3 SER 63 2HB SER 63 10.857 -11.457 2.933 478 HG SER 63 HG SER 63 9.680 -9.277 1.555 479 H GLY 64 H GLY 64 7.796 -13.101 3.227 480 HA2 GLY 64 1HA GLY 64 7.818 -13.808 5.982 481 HA3 GLY 64 2HA GLY 64 7.462 -14.885 4.639 482 HA PRO 65 HA PRO 65 11.652 -15.822 6.643 483 HB2 PRO 65 1HB PRO 65 10.977 -18.195 7.777 484 HB3 PRO 65 2HB PRO 65 10.821 -16.648 8.619 485 HG2 PRO 65 1HG PRO 65 8.726 -18.262 7.215 486 HG3 PRO 65 2HG PRO 65 8.631 -17.417 8.771 487 HD2 PRO 65 1HD PRO 65 7.596 -16.389 6.490 488 HD3 PRO 65 2HD PRO 65 8.265 -15.369 7.780 489 H SER 66 H SER 66 12.894 -16.511 5.020 490 HA SER 66 HA SER 66 12.195 -19.042 3.699 491 HB2 SER 66 1HB SER 66 11.637 -17.041 2.258 492 HB3 SER 66 2HB SER 66 13.361 -16.669 2.231 493 HG SER 66 HG SER 66 12.176 -18.191 0.565 494 H SER 67 H SER 67 13.721 -20.391 4.406 495 HA SER 67 HA SER 67 15.758 -21.173 5.122 496 HB2 SER 67 1HB SER 67 17.490 -21.046 3.378 497 HB3 SER 67 2HB SER 67 15.910 -21.403 2.679 498 HG SER 67 HG SER 67 16.610 -18.722 2.875 499 H GLY 68 H GLY 68 15.128 -18.797 6.436 500 HA2 GLY 68 1HA GLY 68 17.787 -17.519 6.639 501 HA3 GLY 68 2HA GLY 68 16.286 -16.631 6.850 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -15.787 -14.994 -11.478 2 HA2 GLY 1 1HA GLY 1 -15.630 -17.679 -10.286 3 HA3 GLY 1 2HA GLY 1 -14.458 -16.984 -11.396 4 H SER 2 H SER 2 -13.559 -18.187 -9.138 5 HA SER 2 HA SER 2 -12.781 -15.920 -7.422 6 HB2 SER 2 1HB SER 2 -13.105 -18.842 -6.705 7 HB3 SER 2 2HB SER 2 -12.391 -17.637 -5.634 8 HG SER 2 HG SER 2 -14.906 -18.212 -5.823 9 H SER 3 H SER 3 -10.960 -15.360 -8.605 10 HA SER 3 HA SER 3 -9.005 -17.224 -9.470 11 HB2 SER 3 1HB SER 3 -7.574 -15.191 -9.785 12 HB3 SER 3 2HB SER 3 -9.156 -15.071 -10.554 13 HG SER 3 HG SER 3 -8.142 -13.346 -8.938 14 H GLY 4 H GLY 4 -6.932 -17.647 -8.637 15 HA2 GLY 4 1HA GLY 4 -6.790 -18.053 -5.867 16 HA3 GLY 4 2HA GLY 4 -5.430 -18.146 -6.976 17 H SER 5 H SER 5 -6.769 -16.483 -4.392 18 HA SER 5 HA SER 5 -5.527 -13.932 -4.926 19 HB2 SER 5 1HB SER 5 -7.129 -15.085 -2.670 20 HB3 SER 5 2HB SER 5 -6.196 -13.612 -2.408 21 HG SER 5 HG SER 5 -7.362 -12.612 -4.029 22 H SER 6 H SER 6 -3.351 -14.009 -4.977 23 HA SER 6 HA SER 6 -1.952 -14.488 -2.508 24 HB2 SER 6 1HB SER 6 -0.560 -16.272 -3.186 25 HB3 SER 6 2HB SER 6 -2.180 -16.763 -3.682 26 HG SER 6 HG SER 6 -0.151 -15.640 -5.318 27 H GLY 7 H GLY 7 0.076 -13.516 -2.444 28 HA2 GLY 7 1HA GLY 7 1.646 -12.664 -4.542 29 HA3 GLY 7 2HA GLY 7 0.465 -11.384 -4.304 30 H ASN 8 H ASN 8 1.959 -9.865 -3.623 31 HA ASN 8 HA ASN 8 3.407 -10.471 -1.137 32 HB2 ASN 8 1HB ASN 8 3.851 -8.180 -3.063 33 HB3 ASN 8 2HB ASN 8 4.860 -8.595 -1.681 34 HD21 ASN 8 1HD2 ASN 8 4.377 -8.990 -4.965 35 HD22 ASN 8 2HD2 ASN 8 5.479 -10.294 -5.235 36 H THR 9 H THR 9 2.908 -9.463 0.711 37 HA THR 9 HA THR 9 0.792 -7.425 0.619 38 HB THR 9 HB THR 9 1.672 -8.984 3.049 39 HG1 THR 9 1HG THR 9 -0.154 -9.629 0.993 40 HG21 THR 9 1HG2 THR 9 0.214 -7.690 4.125 41 HG22 THR 9 2HG2 THR 9 -1.072 -8.246 3.053 42 HG23 THR 9 3HG2 THR 9 -0.126 -6.820 2.629 43 H TYR 10 H TYR 10 0.993 -5.483 1.699 44 HA TYR 10 HA TYR 10 3.598 -4.901 2.930 45 HB2 TYR 10 1HB TYR 10 2.183 -3.312 0.794 46 HB3 TYR 10 2HB TYR 10 3.411 -2.600 1.834 47 HD1 TYR 10 2HD TYR 10 2.984 -5.669 -0.267 48 HD2 TYR 10 1HD TYR 10 5.542 -2.503 0.973 49 HE1 TYR 10 2HE TYR 10 4.738 -6.502 -1.777 50 HE2 TYR 10 1HE TYR 10 7.302 -3.327 -0.534 51 HH TYR 10 HH TYR 10 7.619 -6.108 -1.646 52 H VAL 11 H VAL 11 3.561 -3.542 4.672 53 HA VAL 11 HA VAL 11 0.893 -2.814 5.667 54 HB VAL 11 HB VAL 11 2.140 -4.285 7.151 55 HG11 VAL 11 1HG1 VAL 11 4.176 -2.669 8.182 56 HG12 VAL 11 2HG1 VAL 11 4.357 -4.138 7.222 57 HG13 VAL 11 3HG1 VAL 11 4.329 -2.563 6.429 58 HG21 VAL 11 1HG2 VAL 11 2.264 -1.611 8.482 59 HG22 VAL 11 2HG2 VAL 11 0.713 -2.266 7.958 60 HG23 VAL 11 3HG2 VAL 11 1.698 -3.154 9.121 61 H ALA 12 H ALA 12 0.350 -0.746 6.065 62 HA ALA 12 HA ALA 12 2.008 1.344 5.038 63 HB1 ALA 12 1HB ALA 12 -0.721 1.142 6.170 64 HB2 ALA 12 2HB ALA 12 0.064 2.721 6.232 65 HB3 ALA 12 3HB ALA 12 -0.162 1.908 4.683 66 H LEU 13 H LEU 13 3.615 2.296 6.087 67 HA LEU 13 HA LEU 13 4.069 1.920 8.872 68 HB2 LEU 13 1HB LEU 13 5.386 3.920 7.046 69 HB3 LEU 13 2HB LEU 13 6.011 3.299 8.572 70 HG LEU 13 HG LEU 13 5.597 1.614 6.106 71 HD11 LEU 13 1HD1 LEU 13 8.322 2.259 7.000 72 HD12 LEU 13 2HD1 LEU 13 7.426 3.593 6.275 73 HD13 LEU 13 3HD1 LEU 13 7.665 2.098 5.371 74 HD21 LEU 13 1HD2 LEU 13 7.558 0.659 7.950 75 HD22 LEU 13 2HD2 LEU 13 6.068 -0.117 7.411 76 HD23 LEU 13 3HD2 LEU 13 6.048 0.958 8.810 77 H TYR 14 H TYR 14 2.975 4.656 6.907 78 HA TYR 14 HA TYR 14 1.962 5.910 9.364 79 HB2 TYR 14 1HB TYR 14 3.061 7.598 7.140 80 HB3 TYR 14 2HB TYR 14 2.806 8.019 8.829 81 HD1 TYR 14 2HD TYR 14 4.424 7.355 10.535 82 HD2 TYR 14 1HD TYR 14 5.062 6.439 6.429 83 HE1 TYR 14 2HE TYR 14 6.785 6.861 11.018 84 HE2 TYR 14 1HE TYR 14 7.424 5.942 6.901 85 HH TYR 14 HH TYR 14 9.059 6.049 8.432 86 H LYS 15 H LYS 15 0.278 7.563 8.918 87 HA LYS 15 HA LYS 15 -1.676 6.501 7.125 88 HB2 LYS 15 1HB LYS 15 -2.350 7.478 9.248 89 HB3 LYS 15 2HB LYS 15 -1.664 9.029 8.783 90 HG2 LYS 15 1HG LYS 15 -3.312 9.291 7.047 91 HG3 LYS 15 2HG LYS 15 -3.951 7.677 7.366 92 HD2 LYS 15 1HD LYS 15 -4.967 8.319 9.326 93 HD3 LYS 15 2HD LYS 15 -3.839 9.650 9.599 94 HE2 LYS 15 1HE LYS 15 -5.799 10.744 9.011 95 HE3 LYS 15 2HE LYS 15 -4.912 10.684 7.489 96 HZ1 LYS 15 1HZ LYS 15 -7.348 10.044 7.435 97 HZ2 LYS 15 2HZ LYS 15 -6.895 8.614 8.218 98 HZ3 LYS 15 3HZ LYS 15 -6.268 8.977 6.689 99 H PHE 16 H PHE 16 -2.290 7.183 5.147 100 HA PHE 16 HA PHE 16 -0.782 9.427 3.984 101 HB2 PHE 16 1HB PHE 16 -0.411 7.157 2.983 102 HB3 PHE 16 2HB PHE 16 -2.106 7.146 2.507 103 HD1 PHE 16 2HD PHE 16 -2.908 9.069 1.005 104 HD2 PHE 16 1HD PHE 16 1.191 8.080 1.589 105 HE1 PHE 16 2HE PHE 16 -2.331 10.247 -1.076 106 HE2 PHE 16 1HE PHE 16 1.775 9.259 -0.491 107 HZ PHE 16 HZ PHE 16 0.013 10.343 -1.827 108 H VAL 17 H VAL 17 -1.858 11.175 3.336 109 HA VAL 17 HA VAL 17 -4.794 11.064 3.311 110 HB VAL 17 HB VAL 17 -2.976 13.467 3.532 111 HG11 VAL 17 1HG1 VAL 17 -5.077 14.661 4.121 112 HG12 VAL 17 2HG1 VAL 17 -5.027 14.091 2.452 113 HG13 VAL 17 3HG1 VAL 17 -5.977 13.218 3.654 114 HG21 VAL 17 1HG2 VAL 17 -4.692 13.006 5.789 115 HG22 VAL 17 2HG2 VAL 17 -3.704 11.579 5.474 116 HG23 VAL 17 3HG2 VAL 17 -2.934 13.144 5.732 117 HA PRO 18 HA PRO 18 -4.010 11.334 -1.163 118 HB2 PRO 18 1HB PRO 18 -6.432 10.321 -1.854 119 HB3 PRO 18 2HB PRO 18 -5.059 9.304 -1.403 120 HG2 PRO 18 1HG PRO 18 -7.399 10.170 0.251 121 HG3 PRO 18 2HG PRO 18 -6.630 8.575 0.148 122 HD2 PRO 18 1HD PRO 18 -6.143 10.298 2.179 123 HD3 PRO 18 2HD PRO 18 -4.916 9.170 1.570 124 H GLN 19 H GLN 19 -4.138 13.387 -1.847 125 HA GLN 19 HA GLN 19 -6.235 15.167 -1.128 126 HB2 GLN 19 1HB GLN 19 -5.167 16.726 -2.703 127 HB3 GLN 19 2HB GLN 19 -3.995 15.990 -1.619 128 HG2 GLN 19 1HG GLN 19 -3.306 14.455 -3.366 129 HG3 GLN 19 2HG GLN 19 -4.519 15.129 -4.455 130 HE21 GLN 19 1HE2 GLN 19 -1.731 16.068 -2.487 131 HE22 GLN 19 2HE2 GLN 19 -1.144 17.272 -3.579 132 H GLU 20 H GLU 20 -5.611 13.109 -3.894 133 HA GLU 20 HA GLU 20 -8.234 13.888 -4.984 134 HB2 GLU 20 1HB GLU 20 -5.605 13.576 -6.340 135 HB3 GLU 20 2HB GLU 20 -7.031 13.023 -7.206 136 HG2 GLU 20 1HG GLU 20 -6.979 15.750 -5.996 137 HG3 GLU 20 2HG GLU 20 -6.181 15.444 -7.537 138 H ASN 21 H ASN 21 -9.177 12.172 -6.422 139 HA ASN 21 HA ASN 21 -9.627 9.830 -5.059 140 HB2 ASN 21 1HB ASN 21 -11.029 10.635 -6.921 141 HB3 ASN 21 2HB ASN 21 -9.753 10.213 -8.059 142 HD21 ASN 21 1HD2 ASN 21 -11.445 8.921 -9.045 143 HD22 ASN 21 2HD2 ASN 21 -11.753 7.334 -8.436 144 H GLU 22 H GLU 22 -7.518 10.174 -7.919 145 HA GLU 22 HA GLU 22 -6.495 7.712 -8.216 146 HB2 GLU 22 1HB GLU 22 -4.365 8.726 -8.920 147 HB3 GLU 22 2HB GLU 22 -5.751 9.596 -9.564 148 HG2 GLU 22 1HG GLU 22 -5.489 11.328 -7.910 149 HG3 GLU 22 2HG GLU 22 -4.182 10.434 -7.137 150 H ASP 23 H ASP 23 -5.451 10.015 -5.730 151 HA ASP 23 HA ASP 23 -3.443 8.387 -4.605 152 HB2 ASP 23 1HB ASP 23 -5.088 10.575 -3.314 153 HB3 ASP 23 2HB ASP 23 -3.609 9.887 -2.648 154 H LEU 24 H LEU 24 -3.500 7.410 -2.433 155 HA LEU 24 HA LEU 24 -6.135 6.261 -1.797 156 HB2 LEU 24 1HB LEU 24 -5.128 4.426 -2.724 157 HB3 LEU 24 2HB LEU 24 -3.512 4.934 -2.238 158 HG LEU 24 HG LEU 24 -4.260 4.351 0.148 159 HD11 LEU 24 1HD1 LEU 24 -6.660 4.183 -0.387 160 HD12 LEU 24 2HD1 LEU 24 -6.021 2.711 0.343 161 HD13 LEU 24 3HD1 LEU 24 -6.317 2.777 -1.395 162 HD21 LEU 24 1HD2 LEU 24 -4.203 1.808 -1.274 163 HD22 LEU 24 2HD2 LEU 24 -3.058 2.487 -0.116 164 HD23 LEU 24 3HD2 LEU 24 -2.963 2.938 -1.819 165 H GLU 25 H GLU 25 -6.605 5.927 0.365 166 HA GLU 25 HA GLU 25 -4.799 7.291 2.239 167 HB2 GLU 25 1HB GLU 25 -7.041 8.250 2.079 168 HB3 GLU 25 2HB GLU 25 -7.752 6.689 2.464 169 HG2 GLU 25 1HG GLU 25 -7.074 6.782 4.681 170 HG3 GLU 25 2HG GLU 25 -5.847 8.004 4.355 171 H MET 26 H MET 26 -3.719 6.134 3.686 172 HA MET 26 HA MET 26 -4.783 3.504 4.469 173 HB2 MET 26 1HB MET 26 -2.188 2.995 4.712 174 HB3 MET 26 2HB MET 26 -3.042 2.746 3.195 175 HG2 MET 26 1HG MET 26 -2.239 4.839 2.336 176 HG3 MET 26 2HG MET 26 -1.503 5.234 3.888 177 HE1 MET 26 1HE MET 26 1.120 5.494 3.245 178 HE2 MET 26 2HE MET 26 1.671 4.702 1.769 179 HE3 MET 26 3HE MET 26 0.244 5.738 1.733 180 H ARG 27 H ARG 27 -3.709 2.688 6.516 181 HA ARG 27 HA ARG 27 -3.156 4.932 8.344 182 HB2 ARG 27 1HB ARG 27 -5.049 2.638 8.621 183 HB3 ARG 27 2HB ARG 27 -4.253 3.251 10.064 184 HG2 ARG 27 1HG ARG 27 -5.100 5.566 9.144 185 HG3 ARG 27 2HG ARG 27 -6.278 4.543 8.318 186 HD2 ARG 27 1HD ARG 27 -7.144 3.721 10.336 187 HD3 ARG 27 2HD ARG 27 -5.747 4.275 11.259 188 HE ARG 27 HE ARG 27 -7.266 6.386 10.017 189 HH11 ARG 27 2HH1 ARG 27 -6.885 4.377 12.835 190 HH12 ARG 27 1HH1 ARG 27 -7.685 5.488 13.896 191 HH21 ARG 27 2HH2 ARG 27 -8.321 7.857 11.404 192 HH22 ARG 27 1HH2 ARG 27 -8.502 7.468 13.081 193 HA PRO 28 HA PRO 28 0.466 2.800 9.612 194 HB2 PRO 28 1HB PRO 28 0.629 3.545 12.218 195 HB3 PRO 28 2HB PRO 28 0.965 4.650 10.880 196 HG2 PRO 28 1HG PRO 28 -1.523 4.361 12.519 197 HG3 PRO 28 2HG PRO 28 -0.705 5.839 11.978 198 HD2 PRO 28 1HD PRO 28 -2.900 4.851 10.737 199 HD3 PRO 28 2HD PRO 28 -1.623 5.724 9.866 200 H GLY 29 H GLY 29 -0.441 0.653 9.376 201 HA2 GLY 29 1HA GLY 29 -0.026 -1.273 11.007 202 HA3 GLY 29 2HA GLY 29 -1.350 -0.552 11.909 203 H ASP 30 H ASP 30 -1.903 -0.112 8.659 204 HA ASP 30 HA ASP 30 -3.879 -2.258 8.656 205 HB2 ASP 30 1HB ASP 30 -3.507 0.278 7.123 206 HB3 ASP 30 2HB ASP 30 -4.440 -1.020 6.384 207 H ILE 31 H ILE 31 -4.194 -3.543 6.682 208 HA ILE 31 HA ILE 31 -1.598 -4.325 5.558 209 HB ILE 31 HB ILE 31 -4.206 -5.846 5.650 210 HG12 ILE 31 1HG1 ILE 31 -3.070 -5.622 7.833 211 HG13 ILE 31 2HG1 ILE 31 -3.068 -7.286 7.258 212 HG21 ILE 31 1HG2 ILE 31 -3.361 -7.384 4.265 213 HG22 ILE 31 2HG2 ILE 31 -2.213 -6.132 3.794 214 HG23 ILE 31 3HG2 ILE 31 -1.769 -7.320 5.019 215 HD11 ILE 31 1HD1 ILE 31 -0.884 -7.332 7.576 216 HD12 ILE 31 2HD1 ILE 31 -0.704 -6.126 6.302 217 HD13 ILE 31 3HD1 ILE 31 -0.868 -5.616 7.982 218 H ILE 32 H ILE 32 -1.160 -4.136 3.445 219 HA ILE 32 HA ILE 32 -3.369 -3.414 1.633 220 HB ILE 32 HB ILE 32 -0.565 -2.291 1.626 221 HG12 ILE 32 1HG1 ILE 32 -3.045 -0.636 1.801 222 HG13 ILE 32 2HG1 ILE 32 -2.499 -1.479 3.247 223 HG21 ILE 32 1HG2 ILE 32 -1.986 -0.813 -0.166 224 HG22 ILE 32 2HG2 ILE 32 -0.901 -2.138 -0.585 225 HG23 ILE 32 3HG2 ILE 32 -2.635 -2.429 -0.441 226 HD11 ILE 32 1HD1 ILE 32 -1.601 0.704 3.324 227 HD12 ILE 32 2HD1 ILE 32 -0.270 -0.379 2.916 228 HD13 ILE 32 3HD1 ILE 32 -1.027 0.601 1.660 229 H THR 33 H THR 33 -3.441 -4.422 -0.308 230 HA THR 33 HA THR 33 -1.551 -6.608 -0.723 231 HB THR 33 HB THR 33 -4.069 -6.006 -2.283 232 HG1 THR 33 1HG THR 33 -5.033 -6.655 -0.515 233 HG21 THR 33 1HG2 THR 33 -3.428 -8.766 -2.163 234 HG22 THR 33 2HG2 THR 33 -1.965 -7.898 -2.628 235 HG23 THR 33 3HG2 THR 33 -3.441 -7.708 -3.573 236 H LEU 34 H LEU 34 0.210 -6.144 -1.867 237 HA LEU 34 HA LEU 34 0.465 -3.945 -3.613 238 HB2 LEU 34 1HB LEU 34 2.338 -5.068 -2.440 239 HB3 LEU 34 2HB LEU 34 2.144 -6.447 -3.521 240 HG LEU 34 HG LEU 34 2.590 -4.756 -5.413 241 HD11 LEU 34 1HD1 LEU 34 2.520 -2.657 -4.503 242 HD12 LEU 34 2HD1 LEU 34 4.251 -2.982 -4.421 243 HD13 LEU 34 3HD1 LEU 34 3.250 -3.170 -2.982 244 HD21 LEU 34 1HD2 LEU 34 5.150 -4.854 -4.216 245 HD22 LEU 34 2HD2 LEU 34 4.479 -5.916 -5.454 246 HD23 LEU 34 3HD2 LEU 34 4.290 -6.321 -3.748 247 H LEU 35 H LEU 35 -0.840 -3.817 -5.347 248 HA LEU 35 HA LEU 35 -1.385 -6.160 -6.971 249 HB2 LEU 35 1HB LEU 35 -2.264 -3.300 -7.332 250 HB3 LEU 35 2HB LEU 35 -2.866 -4.691 -8.230 251 HG LEU 35 HG LEU 35 -3.215 -4.311 -5.259 252 HD11 LEU 35 1HD1 LEU 35 -5.688 -4.120 -6.478 253 HD12 LEU 35 2HD1 LEU 35 -4.633 -3.149 -7.503 254 HD13 LEU 35 3HD1 LEU 35 -4.756 -2.795 -5.780 255 HD21 LEU 35 1HD2 LEU 35 -4.261 -6.304 -7.252 256 HD22 LEU 35 2HD2 LEU 35 -5.020 -6.040 -5.682 257 HD23 LEU 35 3HD2 LEU 35 -3.352 -6.608 -5.772 258 H GLU 36 H GLU 36 -0.208 -2.861 -7.669 259 HA GLU 36 HA GLU 36 1.361 -4.002 -9.886 260 HB2 GLU 36 1HB GLU 36 -0.487 -2.291 -10.376 261 HB3 GLU 36 2HB GLU 36 0.575 -1.106 -9.630 262 HG2 GLU 36 1HG GLU 36 2.312 -1.660 -11.282 263 HG3 GLU 36 2HG GLU 36 1.191 -2.780 -12.053 264 H ASP 37 H ASP 37 3.441 -4.185 -9.416 265 HA ASP 37 HA ASP 37 4.707 -2.073 -7.797 266 HB2 ASP 37 1HB ASP 37 6.243 -3.772 -6.909 267 HB3 ASP 37 2HB ASP 37 4.569 -4.166 -6.530 268 H SER 38 H SER 38 4.480 -1.979 -10.604 269 HA SER 38 HA SER 38 6.910 -2.926 -11.806 270 HB2 SER 38 1HB SER 38 4.797 -2.648 -13.088 271 HB3 SER 38 2HB SER 38 4.923 -0.902 -12.868 272 HG SER 38 HG SER 38 5.781 -1.685 -14.888 273 H ASN 39 H ASN 39 5.716 0.157 -10.573 274 HA ASN 39 HA ASN 39 7.997 1.657 -11.421 275 HB2 ASN 39 1HB ASN 39 5.553 2.431 -10.758 276 HB3 ASN 39 2HB ASN 39 6.275 2.573 -9.158 277 HD21 ASN 39 1HD2 ASN 39 6.225 4.759 -9.009 278 HD22 ASN 39 2HD2 ASN 39 7.149 5.812 -10.021 279 H GLU 40 H GLU 40 8.932 3.100 -9.411 280 HA GLU 40 HA GLU 40 9.941 1.163 -7.435 281 HB2 GLU 40 1HB GLU 40 11.520 3.368 -8.771 282 HB3 GLU 40 2HB GLU 40 12.125 2.276 -7.534 283 HG2 GLU 40 1HG GLU 40 12.939 1.279 -9.415 284 HG3 GLU 40 2HG GLU 40 11.406 0.428 -9.235 285 H ASP 41 H ASP 41 9.147 4.511 -8.165 286 HA ASP 41 HA ASP 41 9.663 5.470 -5.517 287 HB2 ASP 41 1HB ASP 41 7.888 6.827 -7.537 288 HB3 ASP 41 2HB ASP 41 8.873 7.563 -6.276 289 H TRP 42 H TRP 42 6.596 5.302 -7.333 290 HA TRP 42 HA TRP 42 5.228 4.811 -4.770 291 HB2 TRP 42 1HB TRP 42 4.210 6.123 -7.297 292 HB3 TRP 42 2HB TRP 42 3.200 5.736 -5.907 293 HD1 TRP 42 HD TRP 42 6.647 7.528 -6.132 294 HE1 TRP 42 1HE TRP 42 6.465 9.740 -4.829 295 HE3 TRP 42 3HE TRP 42 1.735 7.251 -4.742 296 HZ2 TRP 42 2HZ TRP 42 4.500 11.178 -3.401 297 HZ3 TRP 42 3HZ TRP 42 0.781 9.086 -3.408 298 HH2 TRP 42 HH TRP 42 2.137 11.007 -2.752 299 H TRP 43 H TRP 43 3.697 3.189 -4.623 300 HA TRP 43 HA TRP 43 3.557 1.352 -6.923 301 HB2 TRP 43 1HB TRP 43 3.794 0.726 -3.980 302 HB3 TRP 43 2HB TRP 43 3.294 -0.471 -5.172 303 HD1 TRP 43 HD TRP 43 5.461 0.583 -7.421 304 HE1 TRP 43 1HE TRP 43 7.915 -0.131 -7.116 305 HE3 TRP 43 3HE TRP 43 5.358 -0.568 -2.441 306 HZ2 TRP 43 2HZ TRP 43 9.586 -1.061 -5.040 307 HZ3 TRP 43 3HZ TRP 43 7.426 -1.364 -1.372 308 HH2 TRP 43 HH TRP 43 9.495 -1.605 -2.646 309 H LYS 44 H LYS 44 1.637 -0.189 -6.712 310 HA LYS 44 HA LYS 44 -0.707 1.344 -5.793 311 HB2 LYS 44 1HB LYS 44 -0.419 1.012 -8.294 312 HB3 LYS 44 2HB LYS 44 -0.690 -0.703 -8.011 313 HG2 LYS 44 1HG LYS 44 -2.879 -0.025 -6.919 314 HG3 LYS 44 2HG LYS 44 -2.604 1.574 -7.614 315 HD2 LYS 44 1HD LYS 44 -2.487 0.569 -9.851 316 HD3 LYS 44 2HD LYS 44 -2.788 -1.021 -9.146 317 HE2 LYS 44 1HE LYS 44 -4.976 -0.403 -8.472 318 HE3 LYS 44 2HE LYS 44 -4.673 1.301 -8.809 319 HZ1 LYS 44 1HZ LYS 44 -4.367 0.590 -11.193 320 HZ2 LYS 44 2HZ LYS 44 -5.946 0.504 -10.593 321 HZ3 LYS 44 3HZ LYS 44 -5.024 -0.905 -10.752 322 H GLY 45 H GLY 45 -2.295 0.309 -4.636 323 HA2 GLY 45 1HA GLY 45 -2.009 -2.570 -4.156 324 HA3 GLY 45 2HA GLY 45 -1.935 -1.489 -2.771 325 H LYS 46 H LYS 46 -3.796 -2.961 -2.188 326 HA LYS 46 HA LYS 46 -6.271 -1.595 -2.907 327 HB2 LYS 46 1HB LYS 46 -6.155 -3.500 -4.446 328 HB3 LYS 46 2HB LYS 46 -5.933 -4.595 -3.088 329 HG2 LYS 46 1HG LYS 46 -8.134 -4.270 -2.330 330 HG3 LYS 46 2HG LYS 46 -8.363 -2.853 -3.359 331 HD2 LYS 46 1HD LYS 46 -9.472 -4.413 -4.607 332 HD3 LYS 46 2HD LYS 46 -7.849 -4.609 -5.271 333 HE2 LYS 46 1HE LYS 46 -7.643 -6.354 -3.296 334 HE3 LYS 46 2HE LYS 46 -9.398 -6.390 -3.459 335 HZ1 LYS 46 1HZ LYS 46 -7.354 -7.124 -5.462 336 HZ2 LYS 46 2HZ LYS 46 -8.940 -6.757 -5.920 337 HZ3 LYS 46 3HZ LYS 46 -8.640 -8.054 -4.877 338 H ILE 47 H ILE 47 -7.489 -1.221 -1.167 339 HA ILE 47 HA ILE 47 -6.950 -2.801 1.263 340 HB ILE 47 HB ILE 47 -7.939 0.045 1.247 341 HG12 ILE 47 1HG1 ILE 47 -5.103 -0.982 1.482 342 HG13 ILE 47 2HG1 ILE 47 -5.747 0.046 0.206 343 HG21 ILE 47 1HG2 ILE 47 -6.873 -1.807 3.362 344 HG22 ILE 47 2HG2 ILE 47 -7.002 -0.064 3.596 345 HG23 ILE 47 3HG2 ILE 47 -8.450 -1.022 3.289 346 HD11 ILE 47 1HD1 ILE 47 -4.659 1.576 1.508 347 HD12 ILE 47 2HD1 ILE 47 -6.282 1.655 2.194 348 HD13 ILE 47 3HD1 ILE 47 -5.024 0.725 3.008 349 H GLN 48 H GLN 48 -8.785 -2.845 2.820 350 HA GLN 48 HA GLN 48 -10.961 -4.131 2.059 351 HB2 GLN 48 1HB GLN 48 -10.858 -1.911 4.098 352 HB3 GLN 48 2HB GLN 48 -12.258 -2.956 3.897 353 HG2 GLN 48 1HG GLN 48 -9.491 -3.961 4.513 354 HG3 GLN 48 2HG GLN 48 -10.711 -3.610 5.736 355 HE21 GLN 48 1HE2 GLN 48 -11.826 -5.291 6.393 356 HE22 GLN 48 2HE2 GLN 48 -12.154 -6.722 5.483 357 H ASP 49 H ASP 49 -11.346 -0.623 2.537 358 HA ASP 49 HA ASP 49 -13.073 -0.580 0.150 359 HB2 ASP 49 1HB ASP 49 -13.535 0.546 2.884 360 HB3 ASP 49 2HB ASP 49 -14.215 1.379 1.489 361 H ARG 50 H ARG 50 -10.173 0.166 0.818 362 HA ARG 50 HA ARG 50 -10.298 2.887 -0.306 363 HB2 ARG 50 1HB ARG 50 -8.639 1.789 1.917 364 HB3 ARG 50 2HB ARG 50 -7.923 3.005 0.868 365 HG2 ARG 50 1HG ARG 50 -8.801 4.287 2.561 366 HG3 ARG 50 2HG ARG 50 -10.096 4.337 1.363 367 HD2 ARG 50 1HD ARG 50 -11.263 3.862 3.294 368 HD3 ARG 50 2HD ARG 50 -10.985 2.250 2.638 369 HE ARG 50 HE ARG 50 -8.857 2.808 4.324 370 HH11 ARG 50 2HH1 ARG 50 -12.310 2.438 4.562 371 HH12 ARG 50 1HH1 ARG 50 -12.267 1.859 6.195 372 HH21 ARG 50 2HH2 ARG 50 -8.786 2.047 6.473 373 HH22 ARG 50 1HH2 ARG 50 -10.262 1.638 7.281 374 H ILE 51 H ILE 51 -9.524 2.956 -2.300 375 HA ILE 51 HA ILE 51 -7.290 1.174 -3.012 376 HB ILE 51 HB ILE 51 -9.642 1.869 -4.775 377 HG12 ILE 51 1HG1 ILE 51 -8.779 -0.820 -3.694 378 HG13 ILE 51 2HG1 ILE 51 -10.060 0.159 -2.989 379 HG21 ILE 51 1HG2 ILE 51 -7.523 1.751 -6.008 380 HG22 ILE 51 2HG2 ILE 51 -7.244 0.136 -5.356 381 HG23 ILE 51 3HG2 ILE 51 -8.608 0.428 -6.436 382 HD11 ILE 51 1HD1 ILE 51 -10.411 -1.778 -4.860 383 HD12 ILE 51 2HD1 ILE 51 -11.538 -0.460 -4.540 384 HD13 ILE 51 3HD1 ILE 51 -10.369 -0.321 -5.853 385 H GLY 52 H GLY 52 -5.834 1.965 -4.593 386 HA2 GLY 52 1HA GLY 52 -5.783 4.100 -6.170 387 HA3 GLY 52 2HA GLY 52 -5.660 4.876 -4.598 388 H PHE 53 H PHE 53 -3.605 5.680 -5.419 389 HA PHE 53 HA PHE 53 -1.473 3.665 -5.486 390 HB2 PHE 53 1HB PHE 53 -1.410 6.576 -6.309 391 HB3 PHE 53 2HB PHE 53 -0.079 5.435 -6.474 392 HD1 PHE 53 2HD PHE 53 -0.611 3.285 -7.859 393 HD2 PHE 53 1HD PHE 53 -2.834 6.908 -8.085 394 HE1 PHE 53 2HE PHE 53 -1.448 2.629 -10.078 395 HE2 PHE 53 1HE PHE 53 -3.675 6.258 -10.304 396 HZ PHE 53 HZ PHE 53 -2.981 4.117 -11.304 397 H PHE 54 H PHE 54 0.559 4.170 -4.382 398 HA PHE 54 HA PHE 54 0.541 6.130 -2.276 399 HB2 PHE 54 1HB PHE 54 0.655 4.624 -0.408 400 HB3 PHE 54 2HB PHE 54 -0.796 4.232 -1.326 401 HD1 PHE 54 2HD PHE 54 2.753 3.218 -0.888 402 HD2 PHE 54 1HD PHE 54 -1.185 2.054 -2.009 403 HE1 PHE 54 2HE PHE 54 3.494 0.877 -1.049 404 HE2 PHE 54 1HE PHE 54 -0.450 -0.289 -2.171 405 HZ PHE 54 HZ PHE 54 1.892 -0.880 -1.692 406 HA PRO 55 HA PRO 55 4.866 5.871 -3.035 407 HB2 PRO 55 1HB PRO 55 5.788 7.019 -0.755 408 HB3 PRO 55 2HB PRO 55 5.014 7.941 -2.049 409 HG2 PRO 55 1HG PRO 55 3.851 6.943 0.523 410 HG3 PRO 55 2HG PRO 55 3.642 8.519 -0.263 411 HD2 PRO 55 1HD PRO 55 1.785 6.554 -0.420 412 HD3 PRO 55 2HD PRO 55 2.060 7.716 -1.734 413 H ALA 56 H ALA 56 6.528 4.485 -2.670 414 HA ALA 56 HA ALA 56 6.102 2.205 -1.043 415 HB1 ALA 56 1HB ALA 56 8.704 1.984 -1.624 416 HB2 ALA 56 2HB ALA 56 7.425 1.611 -2.780 417 HB3 ALA 56 3HB ALA 56 8.239 3.174 -2.840 418 H ASN 57 H ASN 57 7.925 5.174 -0.614 419 HA ASN 57 HA ASN 57 9.494 4.425 1.577 420 HB2 ASN 57 1HB ASN 57 9.468 6.613 0.124 421 HB3 ASN 57 2HB ASN 57 8.374 7.196 1.375 422 HD21 ASN 57 1HD2 ASN 57 11.522 7.020 0.441 423 HD22 ASN 57 2HD2 ASN 57 12.289 7.280 1.967 424 H PHE 58 H PHE 58 6.123 5.102 1.332 425 HA PHE 58 HA PHE 58 5.745 5.629 4.142 426 HB2 PHE 58 1HB PHE 58 3.959 5.378 1.758 427 HB3 PHE 58 2HB PHE 58 3.254 5.220 3.363 428 HD1 PHE 58 2HD PHE 58 5.858 7.453 1.891 429 HD2 PHE 58 1HD PHE 58 2.158 7.135 3.970 430 HE1 PHE 58 2HE PHE 58 5.759 9.904 2.084 431 HE2 PHE 58 1HE PHE 58 2.052 9.586 4.165 432 HZ PHE 58 HZ PHE 58 3.855 10.973 3.222 433 H VAL 59 H VAL 59 5.513 2.890 1.974 434 HA VAL 59 HA VAL 59 4.546 1.197 4.170 435 HB VAL 59 HB VAL 59 4.064 -0.491 2.488 436 HG11 VAL 59 1HG1 VAL 59 2.276 1.008 2.881 437 HG12 VAL 59 2HG1 VAL 59 3.021 2.268 1.896 438 HG13 VAL 59 3HG1 VAL 59 2.380 0.814 1.131 439 HG21 VAL 59 1HG2 VAL 59 4.847 1.428 0.324 440 HG22 VAL 59 2HG2 VAL 59 6.024 0.310 1.014 441 HG23 VAL 59 3HG2 VAL 59 4.576 -0.312 0.223 442 H GLN 60 H GLN 60 5.505 -1.025 4.272 443 HA GLN 60 HA GLN 60 8.325 -1.108 3.487 444 HB2 GLN 60 1HB GLN 60 8.328 -0.263 5.767 445 HB3 GLN 60 2HB GLN 60 7.298 -1.590 6.288 446 HG2 GLN 60 1HG GLN 60 9.072 -3.180 5.764 447 HG3 GLN 60 2HG GLN 60 10.105 -1.853 5.233 448 HE21 GLN 60 1HE2 GLN 60 8.061 -2.590 8.045 449 HE22 GLN 60 2HE2 GLN 60 9.240 -2.152 9.229 450 H ARG 61 H ARG 61 8.619 -2.911 2.371 451 HA ARG 61 HA ARG 61 6.912 -4.956 1.927 452 HB2 ARG 61 1HB ARG 61 9.066 -4.664 0.759 453 HB3 ARG 61 2HB ARG 61 9.910 -5.250 2.186 454 HG2 ARG 61 1HG ARG 61 8.972 -7.428 1.938 455 HG3 ARG 61 2HG ARG 61 7.887 -6.871 0.662 456 HD2 ARG 61 1HD ARG 61 10.184 -6.163 -0.459 457 HD3 ARG 61 2HD ARG 61 10.798 -7.457 0.570 458 HE ARG 61 HE ARG 61 8.616 -8.521 -0.710 459 HH11 ARG 61 2HH1 ARG 61 11.628 -7.068 -1.679 460 HH12 ARG 61 1HH1 ARG 61 11.749 -7.985 -3.144 461 HH21 ARG 61 2HH2 ARG 61 8.765 -9.735 -2.636 462 HH22 ARG 61 1HH2 ARG 61 10.120 -9.501 -3.688 463 H LEU 62 H LEU 62 6.237 -6.799 2.897 464 HA LEU 62 HA LEU 62 7.018 -7.169 5.692 465 HB2 LEU 62 1HB LEU 62 4.645 -7.937 4.054 466 HB3 LEU 62 2HB LEU 62 5.017 -8.849 5.515 467 HG LEU 62 HG LEU 62 4.733 -5.867 5.607 468 HD11 LEU 62 1HD1 LEU 62 2.731 -7.036 4.499 469 HD12 LEU 62 2HD1 LEU 62 2.423 -5.968 5.867 470 HD13 LEU 62 3HD1 LEU 62 2.427 -7.716 6.098 471 HD21 LEU 62 1HD2 LEU 62 4.037 -6.381 7.920 472 HD22 LEU 62 2HD2 LEU 62 5.671 -6.935 7.557 473 HD23 LEU 62 3HD2 LEU 62 4.338 -8.090 7.606 474 H SER 63 H SER 63 8.956 -8.269 5.513 475 HA SER 63 HA SER 63 9.171 -10.641 3.885 476 HB2 SER 63 1HB SER 63 11.445 -10.732 4.584 477 HB3 SER 63 2HB SER 63 11.072 -9.020 4.382 478 HG SER 63 HG SER 63 10.900 -8.815 6.593 479 H GLY 64 H GLY 64 8.936 -12.712 4.505 480 HA2 GLY 64 1HA GLY 64 8.018 -13.182 7.250 481 HA3 GLY 64 2HA GLY 64 7.766 -14.253 5.880 482 HA PRO 65 HA PRO 65 11.685 -15.252 8.499 483 HB2 PRO 65 1HB PRO 65 10.651 -16.896 10.395 484 HB3 PRO 65 2HB PRO 65 10.841 -15.155 10.634 485 HG2 PRO 65 1HG PRO 65 8.395 -16.707 9.878 486 HG3 PRO 65 2HG PRO 65 8.560 -15.372 11.033 487 HD2 PRO 65 1HD PRO 65 7.593 -15.021 8.528 488 HD3 PRO 65 2HD PRO 65 8.523 -13.769 9.377 489 H SER 66 H SER 66 9.243 -16.708 6.759 490 HA SER 66 HA SER 66 10.263 -19.419 6.922 491 HB2 SER 66 1HB SER 66 7.780 -18.605 6.537 492 HB3 SER 66 2HB SER 66 8.285 -18.560 4.848 493 HG SER 66 HG SER 66 9.122 -20.813 5.448 494 H SER 67 H SER 67 12.308 -19.433 6.079 495 HA SER 67 HA SER 67 12.559 -18.645 3.250 496 HB2 SER 67 1HB SER 67 13.966 -17.207 4.562 497 HB3 SER 67 2HB SER 67 14.621 -18.575 5.461 498 HG SER 67 HG SER 67 16.134 -18.354 3.980 499 H GLY 68 H GLY 68 12.167 -20.567 2.250 500 HA2 GLY 68 1HA GLY 68 12.998 -23.094 3.162 501 HA3 GLY 68 2HA GLY 68 12.539 -22.706 1.510 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -12.903 -21.917 -9.744 2 HA2 GLY 1 1HA GLY 1 -11.709 -19.778 -8.885 3 HA3 GLY 1 2HA GLY 1 -11.231 -21.313 -8.176 4 H SER 2 H SER 2 -9.735 -18.777 -8.650 5 HA SER 2 HA SER 2 -7.602 -19.812 -10.395 6 HB2 SER 2 1HB SER 2 -8.256 -16.981 -9.554 7 HB3 SER 2 2HB SER 2 -6.812 -17.430 -10.463 8 HG SER 2 HG SER 2 -9.519 -17.591 -11.258 9 H SER 3 H SER 3 -5.372 -18.855 -9.690 10 HA SER 3 HA SER 3 -5.097 -19.208 -6.777 11 HB2 SER 3 1HB SER 3 -4.275 -21.107 -8.391 12 HB3 SER 3 2HB SER 3 -2.911 -20.023 -8.661 13 HG SER 3 HG SER 3 -3.079 -20.016 -6.134 14 H GLY 4 H GLY 4 -3.677 -17.880 -5.707 15 HA2 GLY 4 1HA GLY 4 -3.068 -15.385 -6.954 16 HA3 GLY 4 2HA GLY 4 -2.618 -15.870 -5.325 17 H SER 5 H SER 5 -1.662 -15.827 -8.682 18 HA SER 5 HA SER 5 0.596 -17.322 -8.784 19 HB2 SER 5 1HB SER 5 1.527 -15.564 -10.345 20 HB3 SER 5 2HB SER 5 -0.103 -16.115 -10.732 21 HG SER 5 HG SER 5 0.368 -13.824 -9.144 22 H SER 6 H SER 6 0.213 -14.225 -7.170 23 HA SER 6 HA SER 6 2.761 -14.678 -5.803 24 HB2 SER 6 1HB SER 6 3.336 -12.259 -6.056 25 HB3 SER 6 2HB SER 6 3.346 -13.144 -7.582 26 HG SER 6 HG SER 6 1.553 -11.208 -6.649 27 H GLY 7 H GLY 7 2.738 -14.155 -3.678 28 HA2 GLY 7 1HA GLY 7 0.285 -12.851 -2.669 29 HA3 GLY 7 2HA GLY 7 1.115 -14.148 -1.821 30 H ASN 8 H ASN 8 1.882 -10.946 -3.195 31 HA ASN 8 HA ASN 8 3.836 -10.492 -1.100 32 HB2 ASN 8 1HB ASN 8 3.851 -8.162 -2.384 33 HB3 ASN 8 2HB ASN 8 4.676 -9.577 -3.030 34 HD21 ASN 8 1HD2 ASN 8 1.299 -8.483 -2.970 35 HD22 ASN 8 2HD2 ASN 8 1.047 -8.624 -4.673 36 H THR 9 H THR 9 3.679 -9.015 0.541 37 HA THR 9 HA THR 9 1.140 -7.556 0.814 38 HB THR 9 HB THR 9 1.331 -8.047 3.325 39 HG1 THR 9 1HG THR 9 3.289 -9.722 2.256 40 HG21 THR 9 1HG2 THR 9 0.382 -9.829 1.164 41 HG22 THR 9 2HG2 THR 9 -0.504 -9.098 2.503 42 HG23 THR 9 3HG2 THR 9 0.477 -10.538 2.776 43 H TYR 10 H TYR 10 1.232 -5.657 2.093 44 HA TYR 10 HA TYR 10 3.830 -4.754 3.036 45 HB2 TYR 10 1HB TYR 10 2.330 -3.429 0.780 46 HB3 TYR 10 2HB TYR 10 3.523 -2.572 1.750 47 HD1 TYR 10 2HD TYR 10 3.131 -5.634 -0.344 48 HD2 TYR 10 1HD TYR 10 5.760 -2.627 1.123 49 HE1 TYR 10 2HE TYR 10 4.920 -6.498 -1.794 50 HE2 TYR 10 1HE TYR 10 7.556 -3.483 -0.323 51 HH TYR 10 HH TYR 10 7.451 -4.944 -2.716 52 H VAL 11 H VAL 11 3.578 -3.733 4.905 53 HA VAL 11 HA VAL 11 0.905 -2.864 5.697 54 HB VAL 11 HB VAL 11 2.106 -4.297 7.261 55 HG11 VAL 11 1HG1 VAL 11 4.285 -4.096 7.635 56 HG12 VAL 11 2HG1 VAL 11 4.323 -2.717 6.534 57 HG13 VAL 11 3HG1 VAL 11 4.058 -2.463 8.259 58 HG21 VAL 11 1HG2 VAL 11 1.451 -3.182 9.145 59 HG22 VAL 11 2HG2 VAL 11 2.168 -1.656 8.627 60 HG23 VAL 11 3HG2 VAL 11 0.644 -2.198 7.924 61 H ALA 12 H ALA 12 0.413 -0.793 6.375 62 HA ALA 12 HA ALA 12 2.017 1.304 5.223 63 HB1 ALA 12 1HB ALA 12 0.144 2.730 6.342 64 HB2 ALA 12 2HB ALA 12 -0.227 1.735 4.933 65 HB3 ALA 12 3HB ALA 12 -0.654 1.171 6.549 66 H LEU 13 H LEU 13 3.554 2.417 6.224 67 HA LEU 13 HA LEU 13 4.127 1.981 8.997 68 HB2 LEU 13 1HB LEU 13 5.355 3.974 7.101 69 HB3 LEU 13 2HB LEU 13 6.022 3.443 8.643 70 HG LEU 13 HG LEU 13 5.565 1.494 6.410 71 HD11 LEU 13 1HD1 LEU 13 6.890 3.299 5.457 72 HD12 LEU 13 2HD1 LEU 13 7.876 1.857 5.698 73 HD13 LEU 13 3HD1 LEU 13 8.008 3.213 6.818 74 HD21 LEU 13 1HD2 LEU 13 6.867 1.527 9.036 75 HD22 LEU 13 2HD2 LEU 13 7.822 0.785 7.753 76 HD23 LEU 13 3HD2 LEU 13 6.204 0.180 8.112 77 H TYR 14 H TYR 14 3.118 4.803 7.080 78 HA TYR 14 HA TYR 14 2.087 6.000 9.564 79 HB2 TYR 14 1HB TYR 14 3.127 7.702 7.322 80 HB3 TYR 14 2HB TYR 14 2.905 8.118 9.017 81 HD1 TYR 14 1HD TYR 14 5.079 6.395 6.604 82 HD2 TYR 14 2HD TYR 14 4.601 7.619 10.651 83 HE1 TYR 14 1HE TYR 14 7.453 5.908 7.025 84 HE2 TYR 14 2HE TYR 14 6.974 7.136 11.083 85 HH TYR 14 HH TYR 14 8.762 5.369 9.755 86 H LYS 15 H LYS 15 0.483 7.808 9.045 87 HA LYS 15 HA LYS 15 -1.549 6.696 7.334 88 HB2 LYS 15 1HB LYS 15 -2.361 7.606 9.352 89 HB3 LYS 15 2HB LYS 15 -1.422 9.081 9.164 90 HG2 LYS 15 1HG LYS 15 -2.853 9.629 7.182 91 HG3 LYS 15 2HG LYS 15 -3.870 8.257 7.626 92 HD2 LYS 15 1HD LYS 15 -4.652 9.281 9.533 93 HD3 LYS 15 2HD LYS 15 -3.226 10.309 9.693 94 HE2 LYS 15 1HE LYS 15 -4.991 10.681 7.325 95 HE3 LYS 15 2HE LYS 15 -5.548 11.276 8.888 96 HZ1 LYS 15 1HZ LYS 15 -4.412 13.052 7.903 97 HZ2 LYS 15 2HZ LYS 15 -3.128 12.079 7.387 98 HZ3 LYS 15 3HZ LYS 15 -3.318 12.426 9.032 99 H PHE 16 H PHE 16 -1.751 7.114 5.245 100 HA PHE 16 HA PHE 16 -0.359 9.397 4.088 101 HB2 PHE 16 1HB PHE 16 -0.145 7.129 3.073 102 HB3 PHE 16 2HB PHE 16 -1.863 7.176 2.691 103 HD1 PHE 16 2HD PHE 16 -2.714 8.683 0.973 104 HD2 PHE 16 1HD PHE 16 1.448 8.401 1.817 105 HE1 PHE 16 2HE PHE 16 -2.210 9.814 -1.152 106 HE2 PHE 16 1HE PHE 16 1.959 9.533 -0.307 107 HZ PHE 16 HZ PHE 16 0.129 10.240 -1.796 108 H VAL 17 H VAL 17 -1.344 11.028 2.926 109 HA VAL 17 HA VAL 17 -4.281 11.174 3.161 110 HB VAL 17 HB VAL 17 -2.306 13.456 3.323 111 HG11 VAL 17 1HG1 VAL 17 -5.252 13.664 3.828 112 HG12 VAL 17 2HG1 VAL 17 -4.090 14.942 3.470 113 HG13 VAL 17 3HG1 VAL 17 -4.598 13.830 2.199 114 HG21 VAL 17 1HG2 VAL 17 -3.088 11.679 5.300 115 HG22 VAL 17 2HG2 VAL 17 -2.354 13.264 5.544 116 HG23 VAL 17 3HG2 VAL 17 -4.109 13.093 5.564 117 HA PRO 18 HA PRO 18 -3.546 11.293 -1.326 118 HB2 PRO 18 1HB PRO 18 -6.043 10.437 -1.962 119 HB3 PRO 18 2HB PRO 18 -4.738 9.337 -1.504 120 HG2 PRO 18 1HG PRO 18 -6.988 10.403 0.158 121 HG3 PRO 18 2HG PRO 18 -6.334 8.756 0.084 122 HD2 PRO 18 1HD PRO 18 -5.700 10.488 2.067 123 HD3 PRO 18 2HD PRO 18 -4.563 9.262 1.469 124 H GLN 19 H GLN 19 -3.521 13.359 -2.001 125 HA GLN 19 HA GLN 19 -5.426 15.318 -1.303 126 HB2 GLN 19 1HB GLN 19 -3.247 15.154 -3.356 127 HB3 GLN 19 2HB GLN 19 -4.365 16.512 -3.368 128 HG2 GLN 19 1HG GLN 19 -2.551 17.271 -2.131 129 HG3 GLN 19 2HG GLN 19 -3.745 16.820 -0.915 130 HE21 GLN 19 1HE2 GLN 19 -2.031 16.658 0.596 131 HE22 GLN 19 2HE2 GLN 19 -1.009 15.266 0.629 132 H GLU 20 H GLU 20 -5.116 13.179 -4.084 133 HA GLU 20 HA GLU 20 -7.777 14.077 -4.973 134 HB2 GLU 20 1HB GLU 20 -5.330 13.419 -6.589 135 HB3 GLU 20 2HB GLU 20 -6.937 13.290 -7.291 136 HG2 GLU 20 1HG GLU 20 -5.891 15.797 -6.007 137 HG3 GLU 20 2HG GLU 20 -5.734 15.442 -7.726 138 H ASN 21 H ASN 21 -9.064 12.452 -6.067 139 HA ASN 21 HA ASN 21 -9.425 10.124 -4.711 140 HB2 ASN 21 1HB ASN 21 -9.927 10.541 -7.666 141 HB3 ASN 21 2HB ASN 21 -10.657 9.283 -6.673 142 HD21 ASN 21 1HD2 ASN 21 -12.730 9.797 -6.551 143 HD22 ASN 21 2HD2 ASN 21 -13.358 11.331 -6.063 144 H GLU 22 H GLU 22 -7.547 10.468 -7.718 145 HA GLU 22 HA GLU 22 -6.753 7.964 -8.265 146 HB2 GLU 22 1HB GLU 22 -4.858 10.315 -8.122 147 HB3 GLU 22 2HB GLU 22 -4.618 8.851 -9.064 148 HG2 GLU 22 1HG GLU 22 -5.387 10.290 -10.665 149 HG3 GLU 22 2HG GLU 22 -6.885 9.514 -10.158 150 H ASP 23 H ASP 23 -5.266 9.995 -5.755 151 HA ASP 23 HA ASP 23 -3.412 8.057 -4.872 152 HB2 ASP 23 1HB ASP 23 -4.605 10.434 -3.431 153 HB3 ASP 23 2HB ASP 23 -3.250 9.482 -2.830 154 H LEU 24 H LEU 24 -3.427 7.068 -2.679 155 HA LEU 24 HA LEU 24 -6.132 6.129 -1.979 156 HB2 LEU 24 1HB LEU 24 -5.125 4.244 -2.852 157 HB3 LEU 24 2HB LEU 24 -3.533 4.685 -2.237 158 HG LEU 24 HG LEU 24 -4.438 4.164 0.076 159 HD11 LEU 24 1HD1 LEU 24 -6.335 2.372 -0.183 160 HD12 LEU 24 2HD1 LEU 24 -6.727 3.308 -1.624 161 HD13 LEU 24 3HD1 LEU 24 -6.723 4.086 -0.042 162 HD21 LEU 24 1HD2 LEU 24 -3.002 2.684 -1.485 163 HD22 LEU 24 2HD2 LEU 24 -4.482 1.746 -1.689 164 HD23 LEU 24 3HD2 LEU 24 -3.778 1.947 -0.083 165 H GLU 25 H GLU 25 -6.682 5.976 0.169 166 HA GLU 25 HA GLU 25 -4.886 7.373 2.017 167 HB2 GLU 25 1HB GLU 25 -7.431 7.931 1.550 168 HB3 GLU 25 2HB GLU 25 -7.694 6.662 2.738 169 HG2 GLU 25 1HG GLU 25 -6.671 7.864 4.439 170 HG3 GLU 25 2HG GLU 25 -5.830 8.927 3.313 171 H MET 26 H MET 26 -3.658 6.151 3.276 172 HA MET 26 HA MET 26 -4.790 3.649 4.339 173 HB2 MET 26 1HB MET 26 -2.317 2.880 4.357 174 HB3 MET 26 2HB MET 26 -3.206 2.836 2.841 175 HG2 MET 26 1HG MET 26 -2.208 5.069 2.301 176 HG3 MET 26 2HG MET 26 -1.185 4.876 3.723 177 HE1 MET 26 1HE MET 26 0.669 5.437 1.864 178 HE2 MET 26 2HE MET 26 1.292 4.368 3.121 179 HE3 MET 26 3HE MET 26 1.672 4.053 1.427 180 H ARG 27 H ARG 27 -4.031 3.009 6.427 181 HA ARG 27 HA ARG 27 -2.950 5.253 8.002 182 HB2 ARG 27 1HB ARG 27 -5.083 3.236 8.622 183 HB3 ARG 27 2HB ARG 27 -4.177 3.993 9.925 184 HG2 ARG 27 1HG ARG 27 -6.024 5.354 9.761 185 HG3 ARG 27 2HG ARG 27 -4.846 6.212 8.764 186 HD2 ARG 27 1HD ARG 27 -6.880 6.190 7.547 187 HD3 ARG 27 2HD ARG 27 -5.818 5.010 6.779 188 HE ARG 27 HE ARG 27 -7.306 3.370 7.341 189 HH11 ARG 27 2HH1 ARG 27 -7.954 6.192 9.274 190 HH12 ARG 27 1HH1 ARG 27 -9.405 5.546 9.966 191 HH21 ARG 27 2HH2 ARG 27 -9.214 2.508 8.245 192 HH22 ARG 27 1HH2 ARG 27 -10.120 3.450 9.381 193 HA PRO 28 HA PRO 28 0.374 2.738 9.371 194 HB2 PRO 28 1HB PRO 28 0.663 3.539 11.949 195 HB3 PRO 28 2HB PRO 28 1.114 4.552 10.572 196 HG2 PRO 28 1HG PRO 28 -1.368 4.624 12.243 197 HG3 PRO 28 2HG PRO 28 -0.382 5.971 11.646 198 HD2 PRO 28 1HD PRO 28 -2.698 5.223 10.460 199 HD3 PRO 28 2HD PRO 28 -1.335 5.903 9.548 200 H GLY 29 H GLY 29 -0.285 0.615 9.377 201 HA2 GLY 29 1HA GLY 29 -0.228 -1.164 11.175 202 HA3 GLY 29 2HA GLY 29 -1.642 -0.342 11.819 203 H ASP 30 H ASP 30 -2.294 0.122 8.799 204 HA ASP 30 HA ASP 30 -4.032 -2.169 8.605 205 HB2 ASP 30 1HB ASP 30 -3.708 0.408 7.154 206 HB3 ASP 30 2HB ASP 30 -4.468 -0.920 6.281 207 H ILE 31 H ILE 31 -4.241 -3.277 6.419 208 HA ILE 31 HA ILE 31 -1.546 -4.018 5.493 209 HB ILE 31 HB ILE 31 -4.085 -5.649 5.360 210 HG12 ILE 31 1HG1 ILE 31 -3.255 -5.390 7.659 211 HG13 ILE 31 2HG1 ILE 31 -3.046 -7.042 7.090 212 HG21 ILE 31 1HG2 ILE 31 -1.541 -5.882 4.028 213 HG22 ILE 31 2HG2 ILE 31 -1.850 -7.287 5.047 214 HG23 ILE 31 3HG2 ILE 31 -3.015 -6.824 3.806 215 HD11 ILE 31 1HD1 ILE 31 -0.951 -4.922 7.428 216 HD12 ILE 31 2HD1 ILE 31 -1.080 -6.478 8.251 217 HD13 ILE 31 3HD1 ILE 31 -0.670 -6.418 6.537 218 H ILE 32 H ILE 32 -1.060 -4.031 3.344 219 HA ILE 32 HA ILE 32 -3.184 -3.217 1.474 220 HB ILE 32 HB ILE 32 -0.352 -2.166 1.512 221 HG12 ILE 32 1HG1 ILE 32 -1.866 0.029 1.662 222 HG13 ILE 32 2HG1 ILE 32 -2.976 -1.099 2.433 223 HG21 ILE 32 1HG2 ILE 32 -0.936 -2.326 -0.749 224 HG22 ILE 32 2HG2 ILE 32 -2.604 -1.844 -0.444 225 HG23 ILE 32 3HG2 ILE 32 -1.306 -0.657 -0.317 226 HD11 ILE 32 1HD1 ILE 32 -1.016 0.299 3.698 227 HD12 ILE 32 2HD1 ILE 32 -1.772 -1.174 4.307 228 HD13 ILE 32 3HD1 ILE 32 -0.241 -1.262 3.436 229 H THR 33 H THR 33 -3.340 -4.431 -0.298 230 HA THR 33 HA THR 33 -1.381 -6.543 -0.719 231 HB THR 33 HB THR 33 -3.962 -6.076 -2.220 232 HG1 THR 33 1HG THR 33 -3.517 -6.964 0.314 233 HG21 THR 33 1HG2 THR 33 -3.262 -8.807 -2.030 234 HG22 THR 33 2HG2 THR 33 -1.813 -7.937 -2.532 235 HG23 THR 33 3HG2 THR 33 -3.297 -7.793 -3.472 236 H LEU 34 H LEU 34 0.373 -5.857 -1.806 237 HA LEU 34 HA LEU 34 0.460 -3.800 -3.697 238 HB2 LEU 34 1HB LEU 34 2.374 -4.928 -2.439 239 HB3 LEU 34 2HB LEU 34 2.319 -6.159 -3.699 240 HG LEU 34 HG LEU 34 2.725 -4.304 -5.363 241 HD11 LEU 34 1HD1 LEU 34 3.987 -2.354 -4.136 242 HD12 LEU 34 2HD1 LEU 34 2.904 -2.783 -2.812 243 HD13 LEU 34 3HD1 LEU 34 2.240 -2.301 -4.373 244 HD21 LEU 34 1HD2 LEU 34 4.733 -5.249 -5.258 245 HD22 LEU 34 2HD2 LEU 34 4.542 -5.601 -3.540 246 HD23 LEU 34 3HD2 LEU 34 5.174 -4.036 -4.056 247 H LEU 35 H LEU 35 -0.676 -3.762 -5.523 248 HA LEU 35 HA LEU 35 -1.087 -6.243 -7.021 249 HB2 LEU 35 1HB LEU 35 -2.329 -3.526 -7.423 250 HB3 LEU 35 2HB LEU 35 -2.779 -5.012 -8.258 251 HG LEU 35 HG LEU 35 -3.068 -4.618 -5.284 252 HD11 LEU 35 1HD1 LEU 35 -4.776 -3.766 -7.529 253 HD12 LEU 35 2HD1 LEU 35 -4.661 -3.142 -5.884 254 HD13 LEU 35 3HD1 LEU 35 -5.592 -4.604 -6.208 255 HD21 LEU 35 1HD2 LEU 35 -3.360 -6.829 -5.374 256 HD22 LEU 35 2HD2 LEU 35 -3.468 -6.830 -7.135 257 HD23 LEU 35 3HD2 LEU 35 -4.897 -6.474 -6.163 258 H GLU 36 H GLU 36 -0.226 -2.846 -7.698 259 HA GLU 36 HA GLU 36 1.315 -3.803 -10.019 260 HB2 GLU 36 1HB GLU 36 -0.696 -2.117 -10.223 261 HB3 GLU 36 2HB GLU 36 0.503 -0.942 -9.702 262 HG2 GLU 36 1HG GLU 36 1.873 -1.380 -11.596 263 HG3 GLU 36 2HG GLU 36 0.890 -2.768 -12.057 264 H ASP 37 H ASP 37 3.402 -3.940 -9.532 265 HA ASP 37 HA ASP 37 4.587 -1.876 -7.798 266 HB2 ASP 37 1HB ASP 37 4.683 -4.391 -7.181 267 HB3 ASP 37 2HB ASP 37 5.901 -4.501 -8.449 268 H SER 38 H SER 38 4.062 -1.783 -10.745 269 HA SER 38 HA SER 38 6.445 -2.078 -12.193 270 HB2 SER 38 1HB SER 38 4.189 -1.768 -13.209 271 HB3 SER 38 2HB SER 38 4.233 -0.077 -12.711 272 HG SER 38 HG SER 38 5.749 0.340 -14.184 273 H ASN 39 H ASN 39 5.093 0.730 -10.499 274 HA ASN 39 HA ASN 39 7.598 2.185 -10.959 275 HB2 ASN 39 1HB ASN 39 5.146 3.114 -11.344 276 HB3 ASN 39 2HB ASN 39 5.246 3.446 -9.618 277 HD21 ASN 39 1HD2 ASN 39 7.040 3.895 -12.635 278 HD22 ASN 39 2HD2 ASN 39 7.681 5.447 -12.225 279 H GLU 40 H GLU 40 9.087 2.055 -9.426 280 HA GLU 40 HA GLU 40 8.651 0.976 -6.868 281 HB2 GLU 40 1HB GLU 40 10.929 2.705 -7.851 282 HB3 GLU 40 2HB GLU 40 10.938 1.770 -6.362 283 HG2 GLU 40 1HG GLU 40 10.553 -0.273 -7.797 284 HG3 GLU 40 2HG GLU 40 10.903 0.755 -9.186 285 H ASP 41 H ASP 41 9.467 4.340 -7.739 286 HA ASP 41 HA ASP 41 9.286 5.596 -5.360 287 HB2 ASP 41 1HB ASP 41 9.651 6.625 -7.668 288 HB3 ASP 41 2HB ASP 41 7.896 6.730 -7.785 289 H TRP 42 H TRP 42 6.516 4.692 -7.385 290 HA TRP 42 HA TRP 42 4.807 4.960 -5.004 291 HB2 TRP 42 1HB TRP 42 4.151 5.828 -7.826 292 HB3 TRP 42 2HB TRP 42 2.967 5.717 -6.527 293 HD1 TRP 42 HD TRP 42 6.175 7.682 -7.425 294 HE1 TRP 42 1HE TRP 42 6.067 9.967 -6.244 295 HE3 TRP 42 3HE TRP 42 1.890 6.997 -4.722 296 HZ2 TRP 42 2HZ TRP 42 4.389 11.301 -4.408 297 HZ3 TRP 42 3HZ TRP 42 1.102 8.826 -3.278 298 HH2 TRP 42 HH TRP 42 2.327 10.933 -3.125 299 H TRP 43 H TRP 43 3.966 3.063 -4.481 300 HA TRP 43 HA TRP 43 3.645 1.026 -6.573 301 HB2 TRP 43 1HB TRP 43 4.014 0.876 -3.593 302 HB3 TRP 43 2HB TRP 43 3.351 -0.489 -4.488 303 HD1 TRP 43 HD TRP 43 5.382 0.109 -7.065 304 HE1 TRP 43 1HE TRP 43 7.803 -0.734 -6.838 305 HE3 TRP 43 3HE TRP 43 5.601 -0.367 -1.980 306 HZ2 TRP 43 2HZ TRP 43 9.572 -1.499 -4.776 307 HZ3 TRP 43 3HZ TRP 43 7.694 -1.162 -0.959 308 HH2 TRP 43 HH TRP 43 9.637 -1.716 -2.330 309 H LYS 44 H LYS 44 1.720 -0.135 -6.793 310 HA LYS 44 HA LYS 44 -0.636 1.229 -5.682 311 HB2 LYS 44 1HB LYS 44 -0.201 0.988 -8.235 312 HB3 LYS 44 2HB LYS 44 -0.722 -0.676 -8.001 313 HG2 LYS 44 1HG LYS 44 -2.771 0.468 -6.825 314 HG3 LYS 44 2HG LYS 44 -2.284 1.848 -7.812 315 HD2 LYS 44 1HD LYS 44 -2.410 0.445 -9.821 316 HD3 LYS 44 2HD LYS 44 -2.912 -0.925 -8.827 317 HE2 LYS 44 1HE LYS 44 -4.960 -0.182 -9.497 318 HE3 LYS 44 2HE LYS 44 -4.765 0.794 -8.043 319 HZ1 LYS 44 1HZ LYS 44 -3.651 2.000 -10.406 320 HZ2 LYS 44 2HZ LYS 44 -4.668 2.665 -9.230 321 HZ3 LYS 44 3HZ LYS 44 -5.323 1.761 -10.500 322 H GLY 45 H GLY 45 -2.198 0.117 -4.586 323 HA2 GLY 45 1HA GLY 45 -1.955 -2.797 -4.375 324 HA3 GLY 45 2HA GLY 45 -1.841 -1.852 -2.898 325 H LYS 46 H LYS 46 -3.710 -3.214 -2.299 326 HA LYS 46 HA LYS 46 -6.186 -1.840 -3.029 327 HB2 LYS 46 1HB LYS 46 -6.156 -3.793 -4.470 328 HB3 LYS 46 2HB LYS 46 -5.811 -4.839 -3.099 329 HG2 LYS 46 1HG LYS 46 -7.964 -4.630 -2.240 330 HG3 LYS 46 2HG LYS 46 -8.300 -3.176 -3.184 331 HD2 LYS 46 1HD LYS 46 -9.460 -4.701 -4.423 332 HD3 LYS 46 2HD LYS 46 -7.883 -4.841 -5.204 333 HE2 LYS 46 1HE LYS 46 -8.787 -6.603 -2.934 334 HE3 LYS 46 2HE LYS 46 -8.997 -7.020 -4.634 335 HZ1 LYS 46 1HZ LYS 46 -7.023 -8.050 -4.067 336 HZ2 LYS 46 2HZ LYS 46 -6.499 -6.774 -3.089 337 HZ3 LYS 46 3HZ LYS 46 -6.482 -6.610 -4.772 338 H ILE 47 H ILE 47 -7.311 -1.306 -1.277 339 HA ILE 47 HA ILE 47 -6.673 -2.667 1.252 340 HB ILE 47 HB ILE 47 -7.803 0.089 0.760 341 HG12 ILE 47 1HG1 ILE 47 -5.162 -0.877 1.875 342 HG13 ILE 47 2HG1 ILE 47 -5.415 -0.042 0.346 343 HG21 ILE 47 1HG2 ILE 47 -8.859 -0.754 2.721 344 HG22 ILE 47 2HG2 ILE 47 -7.340 -1.409 3.330 345 HG23 ILE 47 3HG2 ILE 47 -7.576 0.337 3.245 346 HD11 ILE 47 1HD1 ILE 47 -5.496 1.034 3.125 347 HD12 ILE 47 2HD1 ILE 47 -4.632 1.635 1.709 348 HD13 ILE 47 3HD1 ILE 47 -6.378 1.846 1.832 349 H GLN 48 H GLN 48 -8.463 -2.852 2.824 350 HA GLN 48 HA GLN 48 -10.478 -4.448 2.154 351 HB2 GLN 48 1HB GLN 48 -10.649 -2.162 4.120 352 HB3 GLN 48 2HB GLN 48 -11.835 -3.457 4.020 353 HG2 GLN 48 1HG GLN 48 -9.976 -5.073 4.454 354 HG3 GLN 48 2HG GLN 48 -8.932 -3.687 4.765 355 HE21 GLN 48 1HE2 GLN 48 -10.572 -5.988 6.271 356 HE22 GLN 48 2HE2 GLN 48 -11.021 -5.174 7.728 357 H ASP 49 H ASP 49 -11.353 -1.037 2.634 358 HA ASP 49 HA ASP 49 -13.197 -1.290 0.349 359 HB2 ASP 49 1HB ASP 49 -13.495 0.541 2.738 360 HB3 ASP 49 2HB ASP 49 -14.668 0.290 1.448 361 H ARG 50 H ARG 50 -10.300 -0.244 0.762 362 HA ARG 50 HA ARG 50 -10.731 2.295 -0.668 363 HB2 ARG 50 1HB ARG 50 -8.820 1.621 1.537 364 HB3 ARG 50 2HB ARG 50 -8.370 2.830 0.342 365 HG2 ARG 50 1HG ARG 50 -9.912 4.335 1.075 366 HG3 ARG 50 2HG ARG 50 -11.024 3.087 1.640 367 HD2 ARG 50 1HD ARG 50 -9.838 2.759 3.621 368 HD3 ARG 50 2HD ARG 50 -8.381 3.519 2.982 369 HE ARG 50 HE ARG 50 -9.180 5.525 3.710 370 HH11 ARG 50 2HH1 ARG 50 -11.846 3.303 3.434 371 HH12 ARG 50 1HH1 ARG 50 -13.001 4.401 4.116 372 HH21 ARG 50 2HH2 ARG 50 -10.690 6.978 4.609 373 HH22 ARG 50 1HH2 ARG 50 -12.342 6.491 4.783 374 H ILE 51 H ILE 51 -9.261 2.800 -2.329 375 HA ILE 51 HA ILE 51 -7.198 0.911 -3.052 376 HB ILE 51 HB ILE 51 -9.484 1.346 -4.974 377 HG12 ILE 51 1HG1 ILE 51 -8.792 -1.102 -3.335 378 HG13 ILE 51 2HG1 ILE 51 -10.188 -0.061 -3.085 379 HG21 ILE 51 1HG2 ILE 51 -6.884 0.724 -5.512 380 HG22 ILE 51 2HG2 ILE 51 -7.622 -0.872 -5.390 381 HG23 ILE 51 3HG2 ILE 51 -8.258 0.307 -6.536 382 HD11 ILE 51 1HD1 ILE 51 -11.363 -1.123 -4.636 383 HD12 ILE 51 2HD1 ILE 51 -10.040 -1.049 -5.801 384 HD13 ILE 51 3HD1 ILE 51 -10.097 -2.350 -4.612 385 H GLY 52 H GLY 52 -5.672 1.770 -4.428 386 HA2 GLY 52 1HA GLY 52 -5.809 3.778 -6.240 387 HA3 GLY 52 2HA GLY 52 -5.732 4.644 -4.713 388 H PHE 53 H PHE 53 -3.730 5.526 -5.581 389 HA PHE 53 HA PHE 53 -1.480 3.647 -5.590 390 HB2 PHE 53 1HB PHE 53 -1.496 6.561 -6.397 391 HB3 PHE 53 2HB PHE 53 -0.205 5.397 -6.674 392 HD1 PHE 53 2HD PHE 53 -0.818 3.331 -8.112 393 HD2 PHE 53 1HD PHE 53 -3.074 6.939 -8.037 394 HE1 PHE 53 2HE PHE 53 -1.806 2.755 -10.290 395 HE2 PHE 53 1HE PHE 53 -4.066 6.369 -10.215 396 HZ PHE 53 HZ PHE 53 -3.431 4.274 -11.345 397 H PHE 54 H PHE 54 0.574 4.461 -4.586 398 HA PHE 54 HA PHE 54 0.526 6.425 -2.554 399 HB2 PHE 54 1HB PHE 54 0.629 4.973 -0.577 400 HB3 PHE 54 2HB PHE 54 -0.911 4.799 -1.411 401 HD1 PHE 54 1HD PHE 54 -1.408 2.768 -2.687 402 HD2 PHE 54 2HD PHE 54 2.175 3.163 -0.423 403 HE1 PHE 54 1HE PHE 54 -1.068 0.334 -2.807 404 HE2 PHE 54 2HE PHE 54 2.521 0.730 -0.540 405 HZ PHE 54 HZ PHE 54 0.899 -0.688 -1.733 406 HA PRO 55 HA PRO 55 4.865 5.927 -2.997 407 HB2 PRO 55 1HB PRO 55 5.741 6.901 -0.619 408 HB3 PRO 55 2HB PRO 55 5.082 7.932 -1.895 409 HG2 PRO 55 1HG PRO 55 3.744 6.873 0.565 410 HG3 PRO 55 2HG PRO 55 3.661 8.497 -0.143 411 HD2 PRO 55 1HD PRO 55 1.706 6.655 -0.488 412 HD3 PRO 55 2HD PRO 55 2.108 7.864 -1.724 413 H ALA 56 H ALA 56 6.545 4.548 -2.503 414 HA ALA 56 HA ALA 56 5.874 2.183 -1.035 415 HB1 ALA 56 1HB ALA 56 7.888 1.275 -1.840 416 HB2 ALA 56 2HB ALA 56 7.295 2.314 -3.137 417 HB3 ALA 56 3HB ALA 56 8.602 2.869 -2.091 418 H ASN 57 H ASN 57 7.911 4.995 -0.479 419 HA ASN 57 HA ASN 57 9.358 4.083 1.726 420 HB2 ASN 57 1HB ASN 57 8.383 6.895 1.170 421 HB3 ASN 57 2HB ASN 57 9.674 6.458 2.285 422 HD21 ASN 57 1HD2 ASN 57 8.732 6.742 -1.045 423 HD22 ASN 57 2HD2 ASN 57 10.321 6.628 -1.714 424 H PHE 58 H PHE 58 6.050 5.057 1.438 425 HA PHE 58 HA PHE 58 5.610 5.553 4.222 426 HB2 PHE 58 1HB PHE 58 3.888 5.301 1.796 427 HB3 PHE 58 2HB PHE 58 3.130 5.145 3.378 428 HD1 PHE 58 2HD PHE 58 5.791 7.365 1.988 429 HD2 PHE 58 1HD PHE 58 2.029 7.066 3.958 430 HE1 PHE 58 2HE PHE 58 5.700 9.816 2.180 431 HE2 PHE 58 1HE PHE 58 1.933 9.517 4.152 432 HZ PHE 58 HZ PHE 58 3.770 10.895 3.264 433 H VAL 59 H VAL 59 5.291 2.784 2.082 434 HA VAL 59 HA VAL 59 4.317 1.148 4.317 435 HB VAL 59 HB VAL 59 3.755 -0.546 2.666 436 HG11 VAL 59 1HG1 VAL 59 2.103 1.179 3.125 437 HG12 VAL 59 2HG1 VAL 59 2.791 2.197 1.858 438 HG13 VAL 59 3HG1 VAL 59 2.013 0.670 1.440 439 HG21 VAL 59 1HG2 VAL 59 4.766 1.366 0.567 440 HG22 VAL 59 2HG2 VAL 59 5.653 -0.049 1.132 441 HG23 VAL 59 3HG2 VAL 59 4.105 -0.248 0.310 442 H GLN 60 H GLN 60 5.222 -1.076 4.480 443 HA GLN 60 HA GLN 60 8.046 -1.216 3.684 444 HB2 GLN 60 1HB GLN 60 7.785 -0.451 6.071 445 HB3 GLN 60 2HB GLN 60 7.044 -2.007 6.420 446 HG2 GLN 60 1HG GLN 60 9.266 -2.251 7.072 447 HG3 GLN 60 2HG GLN 60 9.175 -3.047 5.501 448 HE21 GLN 60 1HE2 GLN 60 9.799 0.175 6.855 449 HE22 GLN 60 2HE2 GLN 60 11.120 0.548 5.805 450 H ARG 61 H ARG 61 8.704 -3.162 2.962 451 HA ARG 61 HA ARG 61 6.839 -5.126 2.256 452 HB2 ARG 61 1HB ARG 61 9.280 -4.613 1.396 453 HB3 ARG 61 2HB ARG 61 9.723 -5.836 2.580 454 HG2 ARG 61 1HG ARG 61 7.790 -7.178 1.362 455 HG3 ARG 61 2HG ARG 61 8.237 -6.107 0.033 456 HD2 ARG 61 1HD ARG 61 10.338 -7.597 1.556 457 HD3 ARG 61 2HD ARG 61 9.424 -8.400 0.280 458 HE ARG 61 HE ARG 61 10.262 -6.202 -0.977 459 HH11 ARG 61 2HH1 ARG 61 11.957 -8.459 1.061 460 HH12 ARG 61 1HH1 ARG 61 13.480 -8.235 0.265 461 HH21 ARG 61 2HH2 ARG 61 12.261 -5.897 -2.032 462 HH22 ARG 61 1HH2 ARG 61 13.652 -6.776 -1.494 463 H LEU 62 H LEU 62 6.056 -6.878 3.261 464 HA LEU 62 HA LEU 62 7.165 -7.542 5.908 465 HB2 LEU 62 1HB LEU 62 4.369 -7.528 4.846 466 HB3 LEU 62 2HB LEU 62 4.799 -8.567 6.203 467 HG LEU 62 HG LEU 62 5.109 -5.566 6.171 468 HD11 LEU 62 1HD1 LEU 62 3.215 -5.828 7.918 469 HD12 LEU 62 2HD1 LEU 62 2.903 -7.358 7.098 470 HD13 LEU 62 3HD1 LEU 62 2.814 -5.842 6.200 471 HD21 LEU 62 1HD2 LEU 62 6.247 -5.788 8.063 472 HD22 LEU 62 2HD2 LEU 62 6.270 -7.533 7.803 473 HD23 LEU 62 3HD2 LEU 62 4.979 -6.799 8.756 474 H SER 63 H SER 63 7.235 -9.748 6.531 475 HA SER 63 HA SER 63 7.928 -11.510 4.379 476 HB2 SER 63 1HB SER 63 7.807 -11.867 7.376 477 HB3 SER 63 2HB SER 63 8.267 -13.170 6.279 478 HG SER 63 HG SER 63 9.635 -10.834 6.952 479 H GLY 64 H GLY 64 7.024 -13.661 4.080 480 HA2 GLY 64 1HA GLY 64 4.120 -13.684 4.619 481 HA3 GLY 64 2HA GLY 64 4.862 -14.374 3.183 482 HA PRO 65 HA PRO 65 4.219 -17.611 6.562 483 HB2 PRO 65 1HB PRO 65 2.377 -19.105 5.240 484 HB3 PRO 65 2HB PRO 65 1.940 -17.765 6.307 485 HG2 PRO 65 1HG PRO 65 2.146 -17.819 3.321 486 HG3 PRO 65 2HG PRO 65 0.904 -17.074 4.344 487 HD2 PRO 65 1HD PRO 65 2.908 -15.647 3.212 488 HD3 PRO 65 2HD PRO 65 2.199 -15.218 4.783 489 H SER 66 H SER 66 4.868 -17.519 3.168 490 HA SER 66 HA SER 66 6.656 -19.795 3.435 491 HB2 SER 66 1HB SER 66 5.761 -21.044 1.601 492 HB3 SER 66 2HB SER 66 4.411 -20.688 2.678 493 HG SER 66 HG SER 66 3.505 -19.649 1.105 494 H SER 67 H SER 67 7.863 -20.122 1.271 495 HA SER 67 HA SER 67 8.524 -17.453 0.216 496 HB2 SER 67 1HB SER 67 10.213 -19.898 0.704 497 HB3 SER 67 2HB SER 67 10.741 -18.624 -0.395 498 HG SER 67 HG SER 67 11.223 -18.608 2.071 499 H GLY 68 H GLY 68 8.763 -20.867 -0.814 500 HA2 GLY 68 1HA GLY 68 7.118 -20.996 -2.919 501 HA3 GLY 68 2HA GLY 68 8.446 -20.061 -3.588 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -13.950 -21.964 -0.278 2 HA2 GLY 1 1HA GLY 1 -16.063 -21.018 -1.404 3 HA3 GLY 1 2HA GLY 1 -16.252 -20.173 0.125 4 H SER 2 H SER 2 -13.988 -19.112 0.787 5 HA SER 2 HA SER 2 -13.242 -17.452 -1.523 6 HB2 SER 2 1HB SER 2 -14.221 -16.134 0.233 7 HB3 SER 2 2HB SER 2 -13.182 -16.880 1.447 8 HG SER 2 HG SER 2 -12.534 -14.996 -0.538 9 H SER 3 H SER 3 -11.413 -18.127 -2.429 10 HA SER 3 HA SER 3 -9.349 -19.409 -0.839 11 HB2 SER 3 1HB SER 3 -9.509 -18.850 -3.811 12 HB3 SER 3 2HB SER 3 -8.232 -19.777 -3.023 13 HG SER 3 HG SER 3 -10.674 -20.584 -3.804 14 H GLY 4 H GLY 4 -9.422 -16.713 -3.182 15 HA2 GLY 4 1HA GLY 4 -8.491 -14.570 -2.780 16 HA3 GLY 4 2HA GLY 4 -7.539 -15.257 -1.472 17 H SER 5 H SER 5 -5.596 -14.412 -2.197 18 HA SER 5 HA SER 5 -4.355 -15.918 -4.344 19 HB2 SER 5 1HB SER 5 -4.430 -12.891 -4.417 20 HB3 SER 5 2HB SER 5 -3.544 -13.932 -5.531 21 HG SER 5 HG SER 5 -5.534 -14.775 -6.229 22 H SER 6 H SER 6 -2.143 -16.089 -4.143 23 HA SER 6 HA SER 6 -1.046 -15.058 -1.624 24 HB2 SER 6 1HB SER 6 0.680 -16.818 -1.900 25 HB3 SER 6 2HB SER 6 -0.954 -17.482 -1.871 26 HG SER 6 HG SER 6 0.846 -17.254 -4.007 27 H GLY 7 H GLY 7 -0.314 -13.033 -2.117 28 HA2 GLY 7 1HA GLY 7 1.825 -12.908 -4.151 29 HA3 GLY 7 2HA GLY 7 0.640 -11.622 -3.977 30 H ASN 8 H ASN 8 2.031 -9.990 -3.439 31 HA ASN 8 HA ASN 8 3.732 -10.378 -1.079 32 HB2 ASN 8 1HB ASN 8 3.774 -8.033 -2.982 33 HB3 ASN 8 2HB ASN 8 5.005 -8.489 -1.808 34 HD21 ASN 8 1HD2 ASN 8 4.876 -8.173 -4.836 35 HD22 ASN 8 2HD2 ASN 8 5.630 -9.610 -5.427 36 H THR 9 H THR 9 3.259 -9.438 0.802 37 HA THR 9 HA THR 9 1.006 -7.551 0.870 38 HB THR 9 HB THR 9 2.150 -9.043 3.230 39 HG1 THR 9 1HG THR 9 0.375 -9.869 1.226 40 HG21 THR 9 1HG2 THR 9 -0.640 -8.521 3.396 41 HG22 THR 9 2HG2 THR 9 0.169 -7.026 2.928 42 HG23 THR 9 3HG2 THR 9 0.659 -7.871 4.396 43 H TYR 10 H TYR 10 1.171 -5.579 1.862 44 HA TYR 10 HA TYR 10 3.771 -4.843 3.014 45 HB2 TYR 10 1HB TYR 10 2.260 -3.375 0.855 46 HB3 TYR 10 2HB TYR 10 3.492 -2.597 1.842 47 HD1 TYR 10 2HD TYR 10 3.047 -5.653 -0.265 48 HD2 TYR 10 1HD TYR 10 5.655 -2.554 1.039 49 HE1 TYR 10 2HE TYR 10 4.787 -6.484 -1.792 50 HE2 TYR 10 1HE TYR 10 7.402 -3.375 -0.486 51 HH TYR 10 HH TYR 10 7.104 -6.395 -2.165 52 H VAL 11 H VAL 11 3.643 -3.692 4.844 53 HA VAL 11 HA VAL 11 0.977 -2.924 5.782 54 HB VAL 11 HB VAL 11 2.360 -4.388 7.230 55 HG11 VAL 11 1HG1 VAL 11 4.442 -3.884 7.932 56 HG12 VAL 11 2HG1 VAL 11 4.458 -2.854 6.498 57 HG13 VAL 11 3HG1 VAL 11 4.091 -2.162 8.079 58 HG21 VAL 11 1HG2 VAL 11 2.015 -1.729 8.579 59 HG22 VAL 11 2HG2 VAL 11 0.630 -2.686 8.053 60 HG23 VAL 11 3HG2 VAL 11 1.758 -3.345 9.238 61 H ALA 12 H ALA 12 0.473 -0.869 6.471 62 HA ALA 12 HA ALA 12 2.073 1.257 5.344 63 HB1 ALA 12 1HB ALA 12 0.125 2.626 6.474 64 HB2 ALA 12 2HB ALA 12 -0.135 1.725 4.979 65 HB3 ALA 12 3HB ALA 12 -0.650 1.043 6.522 66 H LEU 13 H LEU 13 3.534 2.423 6.402 67 HA LEU 13 HA LEU 13 4.003 1.973 9.204 68 HB2 LEU 13 1HB LEU 13 5.329 3.881 7.282 69 HB3 LEU 13 2HB LEU 13 5.900 3.494 8.904 70 HG LEU 13 HG LEU 13 5.593 1.298 6.905 71 HD11 LEU 13 1HD1 LEU 13 7.586 1.729 5.823 72 HD12 LEU 13 2HD1 LEU 13 8.147 2.840 7.072 73 HD13 LEU 13 3HD1 LEU 13 6.878 3.340 5.954 74 HD21 LEU 13 1HD2 LEU 13 6.418 1.429 9.524 75 HD22 LEU 13 2HD2 LEU 13 7.938 1.409 8.629 76 HD23 LEU 13 3HD2 LEU 13 6.761 0.116 8.397 77 H TYR 14 H TYR 14 3.060 4.759 7.209 78 HA TYR 14 HA TYR 14 1.971 6.011 9.642 79 HB2 TYR 14 1HB TYR 14 3.054 7.662 7.382 80 HB3 TYR 14 2HB TYR 14 2.795 8.118 9.062 81 HD1 TYR 14 1HD TYR 14 5.021 6.331 6.742 82 HD2 TYR 14 2HD TYR 14 4.459 7.676 10.739 83 HE1 TYR 14 1HE TYR 14 7.387 5.862 7.226 84 HE2 TYR 14 2HE TYR 14 6.824 7.212 11.234 85 HH TYR 14 HH TYR 14 9.083 6.306 8.724 86 H LYS 15 H LYS 15 0.318 7.717 9.116 87 HA LYS 15 HA LYS 15 -1.642 6.586 7.349 88 HB2 LYS 15 1HB LYS 15 -2.395 7.531 9.430 89 HB3 LYS 15 2HB LYS 15 -1.640 9.075 9.060 90 HG2 LYS 15 1HG LYS 15 -3.226 9.552 7.371 91 HG3 LYS 15 2HG LYS 15 -3.852 7.901 7.399 92 HD2 LYS 15 1HD LYS 15 -4.991 8.227 9.382 93 HD3 LYS 15 2HD LYS 15 -3.945 9.557 9.884 94 HE2 LYS 15 1HE LYS 15 -4.928 10.942 8.076 95 HE3 LYS 15 2HE LYS 15 -6.037 9.620 7.712 96 HZ1 LYS 15 1HZ LYS 15 -6.041 10.341 10.485 97 HZ2 LYS 15 2HZ LYS 15 -7.339 10.172 9.413 98 HZ3 LYS 15 3HZ LYS 15 -6.486 11.631 9.484 99 H PHE 16 H PHE 16 -2.106 7.153 5.318 100 HA PHE 16 HA PHE 16 -0.620 9.394 4.149 101 HB2 PHE 16 1HB PHE 16 -0.398 7.114 3.135 102 HB3 PHE 16 2HB PHE 16 -2.108 7.183 2.720 103 HD1 PHE 16 2HD PHE 16 -2.910 8.709 0.998 104 HD2 PHE 16 1HD PHE 16 1.232 8.387 1.924 105 HE1 PHE 16 2HE PHE 16 -2.354 9.854 -1.107 106 HE2 PHE 16 1HE PHE 16 1.795 9.533 -0.180 107 HZ PHE 16 HZ PHE 16 0.001 10.267 -1.699 108 H VAL 17 H VAL 17 -1.625 11.002 2.956 109 HA VAL 17 HA VAL 17 -4.562 11.121 3.197 110 HB VAL 17 HB VAL 17 -2.637 13.446 3.344 111 HG11 VAL 17 1HG1 VAL 17 -5.227 13.480 2.464 112 HG12 VAL 17 2HG1 VAL 17 -5.409 13.842 4.182 113 HG13 VAL 17 3HG1 VAL 17 -4.372 14.851 3.172 114 HG21 VAL 17 1HG2 VAL 17 -3.529 11.626 5.347 115 HG22 VAL 17 2HG2 VAL 17 -2.481 13.033 5.521 116 HG23 VAL 17 3HG2 VAL 17 -4.230 13.212 5.669 117 HA PRO 18 HA PRO 18 -3.799 11.270 -1.287 118 HB2 PRO 18 1HB PRO 18 -6.273 10.362 -1.942 119 HB3 PRO 18 2HB PRO 18 -4.946 9.288 -1.482 120 HG2 PRO 18 1HG PRO 18 -7.229 10.296 0.172 121 HG3 PRO 18 2HG PRO 18 -6.538 8.664 0.094 122 HD2 PRO 18 1HD PRO 18 -5.954 10.399 2.089 123 HD3 PRO 18 2HD PRO 18 -4.787 9.202 1.492 124 H GLN 19 H GLN 19 -3.858 13.283 -2.072 125 HA GLN 19 HA GLN 19 -5.785 15.225 -1.335 126 HB2 GLN 19 1HB GLN 19 -3.413 15.635 -2.159 127 HB3 GLN 19 2HB GLN 19 -4.025 15.335 -3.780 128 HG2 GLN 19 1HG GLN 19 -5.607 17.190 -3.511 129 HG3 GLN 19 2HG GLN 19 -4.945 17.504 -1.908 130 HE21 GLN 19 1HE2 GLN 19 -4.494 17.829 -5.306 131 HE22 GLN 19 2HE2 GLN 19 -3.073 18.809 -5.244 132 H GLU 20 H GLU 20 -5.479 13.027 -4.058 133 HA GLU 20 HA GLU 20 -8.186 13.808 -4.901 134 HB2 GLU 20 1HB GLU 20 -5.722 13.511 -6.582 135 HB3 GLU 20 2HB GLU 20 -7.301 13.174 -7.276 136 HG2 GLU 20 1HG GLU 20 -7.912 15.517 -6.315 137 HG3 GLU 20 2HG GLU 20 -6.165 15.756 -6.317 138 H ASN 21 H ASN 21 -9.321 12.131 -6.123 139 HA ASN 21 HA ASN 21 -9.510 9.727 -4.878 140 HB2 ASN 21 1HB ASN 21 -10.076 10.482 -7.737 141 HB3 ASN 21 2HB ASN 21 -10.403 8.858 -7.139 142 HD21 ASN 21 1HD2 ASN 21 -12.518 10.033 -8.045 143 HD22 ASN 21 2HD2 ASN 21 -13.535 10.652 -6.794 144 H GLU 22 H GLU 22 -7.556 10.369 -7.784 145 HA GLU 22 HA GLU 22 -6.537 7.964 -8.412 146 HB2 GLU 22 1HB GLU 22 -4.365 9.120 -8.935 147 HB3 GLU 22 2HB GLU 22 -5.795 9.883 -9.615 148 HG2 GLU 22 1HG GLU 22 -5.775 11.538 -7.829 149 HG3 GLU 22 2HG GLU 22 -4.356 10.767 -7.123 150 H ASP 23 H ASP 23 -5.377 9.977 -5.728 151 HA ASP 23 HA ASP 23 -3.395 8.135 -4.865 152 HB2 ASP 23 1HB ASP 23 -4.757 10.434 -3.452 153 HB3 ASP 23 2HB ASP 23 -3.430 9.510 -2.754 154 H LEU 24 H LEU 24 -3.419 7.080 -2.706 155 HA LEU 24 HA LEU 24 -6.093 6.008 -2.083 156 HB2 LEU 24 1HB LEU 24 -5.099 4.158 -2.979 157 HB3 LEU 24 2HB LEU 24 -3.480 4.661 -2.497 158 HG LEU 24 HG LEU 24 -4.207 4.085 -0.112 159 HD11 LEU 24 1HD1 LEU 24 -6.316 2.542 -1.613 160 HD12 LEU 24 2HD1 LEU 24 -6.619 3.966 -0.618 161 HD13 LEU 24 3HD1 LEU 24 -5.999 2.490 0.121 162 HD21 LEU 24 1HD2 LEU 24 -3.566 2.231 -2.337 163 HD22 LEU 24 2HD2 LEU 24 -4.027 1.523 -0.788 164 HD23 LEU 24 3HD2 LEU 24 -2.647 2.619 -0.882 165 H GLU 25 H GLU 25 -6.642 5.742 0.054 166 HA GLU 25 HA GLU 25 -4.922 7.137 1.965 167 HB2 GLU 25 1HB GLU 25 -7.313 7.809 1.717 168 HB3 GLU 25 2HB GLU 25 -7.782 6.219 2.303 169 HG2 GLU 25 1HG GLU 25 -6.685 6.662 4.428 170 HG3 GLU 25 2HG GLU 25 -6.173 8.244 3.843 171 H MET 26 H MET 26 -3.864 6.125 3.551 172 HA MET 26 HA MET 26 -4.684 3.420 4.323 173 HB2 MET 26 1HB MET 26 -2.089 2.981 4.428 174 HB3 MET 26 2HB MET 26 -2.981 2.749 2.931 175 HG2 MET 26 1HG MET 26 -2.309 5.041 2.247 176 HG3 MET 26 2HG MET 26 -1.299 5.123 3.690 177 HE1 MET 26 1HE MET 26 1.911 4.238 2.128 178 HE2 MET 26 2HE MET 26 0.867 5.660 2.154 179 HE3 MET 26 3HE MET 26 1.075 4.690 3.614 180 H ARG 27 H ARG 27 -3.966 2.768 6.414 181 HA ARG 27 HA ARG 27 -3.119 5.019 8.117 182 HB2 ARG 27 1HB ARG 27 -5.009 2.746 8.739 183 HB3 ARG 27 2HB ARG 27 -4.386 3.859 9.949 184 HG2 ARG 27 1HG ARG 27 -5.408 5.728 8.666 185 HG3 ARG 27 2HG ARG 27 -6.143 4.529 7.601 186 HD2 ARG 27 1HD ARG 27 -6.560 4.705 10.583 187 HD3 ARG 27 2HD ARG 27 -7.682 5.303 9.362 188 HE ARG 27 HE ARG 27 -7.409 2.723 8.670 189 HH11 ARG 27 2HH1 ARG 27 -8.074 4.269 11.717 190 HH12 ARG 27 1HH1 ARG 27 -9.010 2.947 12.332 191 HH21 ARG 27 2HH2 ARG 27 -8.640 0.976 9.468 192 HH22 ARG 27 1HH2 ARG 27 -9.331 1.075 11.052 193 HA PRO 28 HA PRO 28 0.314 2.651 9.489 194 HB2 PRO 28 1HB PRO 28 0.542 3.489 12.061 195 HB3 PRO 28 2HB PRO 28 0.966 4.506 10.678 196 HG2 PRO 28 1HG PRO 28 -1.536 4.493 12.323 197 HG3 PRO 28 2HG PRO 28 -0.599 5.873 11.722 198 HD2 PRO 28 1HD PRO 28 -2.870 5.019 10.519 199 HD3 PRO 28 2HD PRO 28 -1.526 5.745 9.615 200 H GLY 29 H GLY 29 -0.482 0.526 9.420 201 HA2 GLY 29 1HA GLY 29 -0.301 -1.269 11.228 202 HA3 GLY 29 2HA GLY 29 -1.707 -0.468 11.912 203 H ASP 30 H ASP 30 -2.069 -0.160 8.684 204 HA ASP 30 HA ASP 30 -3.922 -2.410 8.587 205 HB2 ASP 30 1HB ASP 30 -3.634 0.165 7.125 206 HB3 ASP 30 2HB ASP 30 -4.374 -1.177 6.257 207 H ILE 31 H ILE 31 -4.092 -3.631 6.512 208 HA ILE 31 HA ILE 31 -1.396 -4.241 5.499 209 HB ILE 31 HB ILE 31 -3.800 -6.065 5.479 210 HG12 ILE 31 1HG1 ILE 31 -3.198 -5.693 7.777 211 HG13 ILE 31 2HG1 ILE 31 -2.580 -7.273 7.309 212 HG21 ILE 31 1HG2 ILE 31 -1.910 -6.354 3.783 213 HG22 ILE 31 2HG2 ILE 31 -0.918 -6.835 5.159 214 HG23 ILE 31 3HG2 ILE 31 -2.361 -7.761 4.746 215 HD11 ILE 31 1HD1 ILE 31 -0.955 -6.102 8.645 216 HD12 ILE 31 2HD1 ILE 31 -0.356 -6.280 6.995 217 HD13 ILE 31 3HD1 ILE 31 -0.993 -4.729 7.540 218 H ILE 32 H ILE 32 -0.988 -3.690 3.471 219 HA ILE 32 HA ILE 32 -3.248 -3.258 1.641 220 HB ILE 32 HB ILE 32 -0.431 -2.177 1.541 221 HG12 ILE 32 1HG1 ILE 32 -1.997 -0.009 1.553 222 HG13 ILE 32 2HG1 ILE 32 -3.072 -1.111 2.407 223 HG21 ILE 32 1HG2 ILE 32 -2.712 -1.700 -0.372 224 HG22 ILE 32 2HG2 ILE 32 -1.125 -0.936 -0.432 225 HG23 ILE 32 3HG2 ILE 32 -1.279 -2.672 -0.705 226 HD11 ILE 32 1HD1 ILE 32 -0.504 -1.382 3.547 227 HD12 ILE 32 2HD1 ILE 32 -0.851 0.341 3.404 228 HD13 ILE 32 3HD1 ILE 32 -1.965 -0.714 4.272 229 H THR 33 H THR 33 -3.315 -4.217 -0.357 230 HA THR 33 HA THR 33 -1.498 -6.485 -0.727 231 HB THR 33 HB THR 33 -4.105 -5.886 -2.139 232 HG1 THR 33 1HG THR 33 -3.447 -7.428 0.143 233 HG21 THR 33 1HG2 THR 33 -3.871 -8.424 -2.602 234 HG22 THR 33 2HG2 THR 33 -2.161 -8.166 -2.258 235 HG23 THR 33 3HG2 THR 33 -2.936 -7.294 -3.580 236 H LEU 34 H LEU 34 0.242 -6.014 -1.909 237 HA LEU 34 HA LEU 34 0.515 -3.886 -3.690 238 HB2 LEU 34 1HB LEU 34 2.307 -5.360 -2.603 239 HB3 LEU 34 2HB LEU 34 2.038 -6.459 -3.955 240 HG LEU 34 HG LEU 34 2.672 -4.620 -5.503 241 HD11 LEU 34 1HD1 LEU 34 4.023 -3.062 -3.448 242 HD12 LEU 34 2HD1 LEU 34 2.265 -2.989 -3.332 243 HD13 LEU 34 3HD1 LEU 34 3.069 -2.531 -4.833 244 HD21 LEU 34 1HD2 LEU 34 4.608 -5.702 -5.411 245 HD22 LEU 34 2HD2 LEU 34 4.360 -6.110 -3.713 246 HD23 LEU 34 3HD2 LEU 34 5.120 -4.579 -4.151 247 H LEU 35 H LEU 35 -0.884 -3.631 -5.335 248 HA LEU 35 HA LEU 35 -1.753 -5.882 -6.931 249 HB2 LEU 35 1HB LEU 35 -2.291 -2.935 -7.268 250 HB3 LEU 35 2HB LEU 35 -3.098 -4.240 -8.134 251 HG LEU 35 HG LEU 35 -3.264 -3.816 -5.152 252 HD11 LEU 35 1HD1 LEU 35 -4.844 -2.298 -5.478 253 HD12 LEU 35 2HD1 LEU 35 -5.722 -3.388 -6.551 254 HD13 LEU 35 3HD1 LEU 35 -4.476 -2.323 -7.202 255 HD21 LEU 35 1HD2 LEU 35 -4.409 -5.789 -7.069 256 HD22 LEU 35 2HD2 LEU 35 -5.373 -5.290 -5.678 257 HD23 LEU 35 3HD2 LEU 35 -3.789 -6.030 -5.435 258 H GLU 36 H GLU 36 -0.179 -2.767 -7.689 259 HA GLU 36 HA GLU 36 1.235 -4.138 -9.881 260 HB2 GLU 36 1HB GLU 36 -0.632 -2.379 -10.426 261 HB3 GLU 36 2HB GLU 36 0.614 -1.212 -10.005 262 HG2 GLU 36 1HG GLU 36 0.452 -1.692 -12.429 263 HG3 GLU 36 2HG GLU 36 2.045 -2.001 -11.740 264 H ASP 37 H ASP 37 3.349 -4.208 -9.566 265 HA ASP 37 HA ASP 37 4.611 -2.063 -7.986 266 HB2 ASP 37 1HB ASP 37 6.176 -3.631 -7.122 267 HB3 ASP 37 2HB ASP 37 4.594 -4.391 -6.975 268 H SER 38 H SER 38 4.167 -1.905 -10.794 269 HA SER 38 HA SER 38 6.528 -2.628 -12.222 270 HB2 SER 38 1HB SER 38 4.561 -2.395 -13.526 271 HB3 SER 38 2HB SER 38 4.205 -0.807 -12.847 272 HG SER 38 HG SER 38 5.635 0.093 -14.152 273 H ASN 39 H ASN 39 5.401 0.288 -10.603 274 HA ASN 39 HA ASN 39 7.661 1.853 -11.486 275 HB2 ASN 39 1HB ASN 39 5.232 2.648 -10.875 276 HB3 ASN 39 2HB ASN 39 5.870 2.688 -9.234 277 HD21 ASN 39 1HD2 ASN 39 5.580 4.936 -9.188 278 HD22 ASN 39 2HD2 ASN 39 6.670 6.001 -10.002 279 H GLU 40 H GLU 40 8.553 3.249 -9.410 280 HA GLU 40 HA GLU 40 9.495 1.277 -7.439 281 HB2 GLU 40 1HB GLU 40 11.726 2.362 -7.517 282 HB3 GLU 40 2HB GLU 40 11.287 1.576 -9.028 283 HG2 GLU 40 1HG GLU 40 10.836 4.506 -8.593 284 HG3 GLU 40 2HG GLU 40 12.386 3.874 -9.146 285 H ASP 41 H ASP 41 8.973 4.680 -8.219 286 HA ASP 41 HA ASP 41 9.483 5.646 -5.590 287 HB2 ASP 41 1HB ASP 41 7.955 6.894 -7.884 288 HB3 ASP 41 2HB ASP 41 8.415 7.735 -6.406 289 H TRP 42 H TRP 42 6.486 5.018 -7.402 290 HA TRP 42 HA TRP 42 5.087 4.807 -4.820 291 HB2 TRP 42 1HB TRP 42 4.155 6.176 -7.343 292 HB3 TRP 42 2HB TRP 42 3.050 5.702 -6.055 293 HD1 TRP 42 HD TRP 42 6.473 7.552 -5.943 294 HE1 TRP 42 1HE TRP 42 6.166 9.682 -4.532 295 HE3 TRP 42 3HE TRP 42 1.488 7.120 -4.896 296 HZ2 TRP 42 2HZ TRP 42 4.086 11.004 -3.156 297 HZ3 TRP 42 3HZ TRP 42 0.416 8.860 -3.526 298 HH2 TRP 42 HH TRP 42 1.690 10.760 -2.674 299 H TRP 43 H TRP 43 3.871 3.029 -4.547 300 HA TRP 43 HA TRP 43 3.524 1.259 -6.877 301 HB2 TRP 43 1HB TRP 43 3.902 0.578 -3.956 302 HB3 TRP 43 2HB TRP 43 3.453 -0.601 -5.186 303 HD1 TRP 43 HD TRP 43 5.530 0.712 -7.409 304 HE1 TRP 43 1HE TRP 43 8.021 0.112 -7.171 305 HE3 TRP 43 3HE TRP 43 5.548 -0.748 -2.510 306 HZ2 TRP 43 2HZ TRP 43 9.763 -0.854 -5.171 307 HZ3 TRP 43 3HZ TRP 43 7.668 -1.497 -1.510 308 HH2 TRP 43 HH TRP 43 9.731 -1.549 -2.815 309 H LYS 44 H LYS 44 1.590 -0.007 -6.983 310 HA LYS 44 HA LYS 44 -0.702 1.395 -5.829 311 HB2 LYS 44 1HB LYS 44 -0.526 0.937 -8.310 312 HB3 LYS 44 2HB LYS 44 -0.729 -0.769 -7.935 313 HG2 LYS 44 1HG LYS 44 -2.892 -0.114 -6.789 314 HG3 LYS 44 2HG LYS 44 -2.698 1.465 -7.554 315 HD2 LYS 44 1HD LYS 44 -2.671 0.408 -9.753 316 HD3 LYS 44 2HD LYS 44 -2.822 -1.182 -9.001 317 HE2 LYS 44 1HE LYS 44 -4.983 -0.439 -8.017 318 HE3 LYS 44 2HE LYS 44 -4.837 1.061 -8.931 319 HZ1 LYS 44 1HZ LYS 44 -4.646 -0.452 -10.952 320 HZ2 LYS 44 2HZ LYS 44 -6.173 -0.295 -10.242 321 HZ3 LYS 44 3HZ LYS 44 -5.245 -1.680 -9.954 322 H GLY 45 H GLY 45 -2.326 0.354 -4.667 323 HA2 GLY 45 1HA GLY 45 -1.959 -2.466 -3.996 324 HA3 GLY 45 2HA GLY 45 -1.845 -1.314 -2.674 325 H LYS 46 H LYS 46 -3.707 -3.150 -2.358 326 HA LYS 46 HA LYS 46 -6.214 -1.713 -2.918 327 HB2 LYS 46 1HB LYS 46 -6.089 -3.670 -4.382 328 HB3 LYS 46 2HB LYS 46 -5.798 -4.708 -2.993 329 HG2 LYS 46 1HG LYS 46 -7.974 -4.612 -2.288 330 HG3 LYS 46 2HG LYS 46 -8.263 -3.042 -3.041 331 HD2 LYS 46 1HD LYS 46 -8.692 -3.955 -5.097 332 HD3 LYS 46 2HD LYS 46 -7.667 -5.363 -4.806 333 HE2 LYS 46 1HE LYS 46 -9.751 -6.318 -4.696 334 HE3 LYS 46 2HE LYS 46 -9.481 -5.922 -2.999 335 HZ1 LYS 46 1HZ LYS 46 -10.851 -4.017 -4.785 336 HZ2 LYS 46 2HZ LYS 46 -10.933 -4.141 -3.100 337 HZ3 LYS 46 3HZ LYS 46 -11.707 -5.290 -4.071 338 H ILE 47 H ILE 47 -7.577 -1.472 -1.227 339 HA ILE 47 HA ILE 47 -6.984 -2.950 1.247 340 HB ILE 47 HB ILE 47 -7.836 -0.073 1.325 341 HG12 ILE 47 1HG1 ILE 47 -5.015 -1.150 1.178 342 HG13 ILE 47 2HG1 ILE 47 -5.786 -0.039 0.051 343 HG21 ILE 47 1HG2 ILE 47 -6.495 -0.338 3.535 344 HG22 ILE 47 2HG2 ILE 47 -8.121 -1.010 3.416 345 HG23 ILE 47 3HG2 ILE 47 -6.717 -2.064 3.250 346 HD11 ILE 47 1HD1 ILE 47 -6.024 1.477 2.155 347 HD12 ILE 47 2HD1 ILE 47 -4.721 0.467 2.783 348 HD13 ILE 47 3HD1 ILE 47 -4.489 1.380 1.293 349 H GLN 48 H GLN 48 -8.796 -2.849 2.831 350 HA GLN 48 HA GLN 48 -11.067 -3.983 2.118 351 HB2 GLN 48 1HB GLN 48 -10.822 -1.724 4.106 352 HB3 GLN 48 2HB GLN 48 -12.254 -2.735 3.958 353 HG2 GLN 48 1HG GLN 48 -9.556 -3.938 4.434 354 HG3 GLN 48 2HG GLN 48 -10.524 -3.302 5.763 355 HE21 GLN 48 1HE2 GLN 48 -9.667 -6.066 4.571 356 HE22 GLN 48 2HE2 GLN 48 -11.116 -6.995 4.721 357 H ASP 49 H ASP 49 -11.258 -0.462 2.587 358 HA ASP 49 HA ASP 49 -12.983 -0.330 0.201 359 HB2 ASP 49 1HB ASP 49 -13.268 1.363 2.691 360 HB3 ASP 49 2HB ASP 49 -14.339 1.351 1.292 361 H ARG 50 H ARG 50 -10.029 0.258 0.891 362 HA ARG 50 HA ARG 50 -9.990 2.945 -0.318 363 HB2 ARG 50 1HB ARG 50 -8.245 1.795 1.851 364 HB3 ARG 50 2HB ARG 50 -7.727 3.164 0.876 365 HG2 ARG 50 1HG ARG 50 -9.218 4.594 1.835 366 HG3 ARG 50 2HG ARG 50 -10.388 3.318 2.178 367 HD2 ARG 50 1HD ARG 50 -8.654 2.458 3.863 368 HD3 ARG 50 2HD ARG 50 -7.894 4.039 3.683 369 HE ARG 50 HE ARG 50 -10.409 4.725 4.247 370 HH11 ARG 50 2HH1 ARG 50 -8.287 2.396 5.727 371 HH12 ARG 50 1HH1 ARG 50 -8.990 2.561 7.302 372 HH21 ARG 50 2HH2 ARG 50 -11.344 4.951 6.315 373 HH22 ARG 50 1HH2 ARG 50 -10.730 4.014 7.635 374 H ILE 51 H ILE 51 -9.292 2.808 -2.339 375 HA ILE 51 HA ILE 51 -7.011 1.049 -2.925 376 HB ILE 51 HB ILE 51 -9.372 1.394 -4.773 377 HG12 ILE 51 1HG1 ILE 51 -8.618 -0.984 -3.060 378 HG13 ILE 51 2HG1 ILE 51 -9.980 0.092 -2.766 379 HG21 ILE 51 1HG2 ILE 51 -7.588 -0.869 -5.183 380 HG22 ILE 51 2HG2 ILE 51 -8.188 0.324 -6.334 381 HG23 ILE 51 3HG2 ILE 51 -6.776 0.688 -5.343 382 HD11 ILE 51 1HD1 ILE 51 -9.864 -1.181 -5.422 383 HD12 ILE 51 2HD1 ILE 51 -10.200 -2.234 -4.048 384 HD13 ILE 51 3HD1 ILE 51 -11.243 -0.850 -4.375 385 H GLY 52 H GLY 52 -5.546 1.814 -4.425 386 HA2 GLY 52 1HA GLY 52 -5.686 3.674 -6.350 387 HA3 GLY 52 2HA GLY 52 -5.665 4.676 -4.906 388 H PHE 53 H PHE 53 -3.675 5.541 -5.818 389 HA PHE 53 HA PHE 53 -1.367 3.761 -5.764 390 HB2 PHE 53 1HB PHE 53 -1.447 6.711 -6.420 391 HB3 PHE 53 2HB PHE 53 -0.135 5.586 -6.754 392 HD1 PHE 53 2HD PHE 53 -0.864 3.494 -8.216 393 HD2 PHE 53 1HD PHE 53 -2.865 7.250 -8.135 394 HE1 PHE 53 2HE PHE 53 -1.832 3.021 -10.427 395 HE2 PHE 53 1HE PHE 53 -3.837 6.783 -10.347 396 HZ PHE 53 HZ PHE 53 -3.321 4.667 -11.496 397 H PHE 54 H PHE 54 0.552 4.310 -4.557 398 HA PHE 54 HA PHE 54 0.434 6.259 -2.459 399 HB2 PHE 54 1HB PHE 54 0.437 4.778 -0.567 400 HB3 PHE 54 2HB PHE 54 -0.972 4.391 -1.550 401 HD1 PHE 54 1HD PHE 54 -1.048 2.328 -2.855 402 HD2 PHE 54 2HD PHE 54 2.230 3.221 -0.292 403 HE1 PHE 54 1HE PHE 54 -0.337 -0.026 -2.951 404 HE2 PHE 54 2HE PHE 54 2.947 0.869 -0.384 405 HZ PHE 54 HZ PHE 54 1.664 -0.758 -1.715 406 HA PRO 55 HA PRO 55 4.793 5.949 -2.900 407 HB2 PRO 55 1HB PRO 55 5.597 6.918 -0.495 408 HB3 PRO 55 2HB PRO 55 4.915 7.942 -1.764 409 HG2 PRO 55 1HG PRO 55 3.588 6.792 0.661 410 HG3 PRO 55 2HG PRO 55 3.449 8.422 -0.023 411 HD2 PRO 55 1HD PRO 55 1.575 6.510 -0.425 412 HD3 PRO 55 2HD PRO 55 1.944 7.754 -1.636 413 H ALA 56 H ALA 56 6.541 4.656 -2.373 414 HA ALA 56 HA ALA 56 5.932 2.248 -0.922 415 HB1 ALA 56 1HB ALA 56 8.599 2.089 -1.510 416 HB2 ALA 56 2HB ALA 56 7.287 1.553 -2.560 417 HB3 ALA 56 3HB ALA 56 7.995 3.153 -2.781 418 H ASN 57 H ASN 57 7.882 5.124 -0.403 419 HA ASN 57 HA ASN 57 9.394 4.242 1.781 420 HB2 ASN 57 1HB ASN 57 8.504 6.930 0.803 421 HB3 ASN 57 2HB ASN 57 9.291 6.801 2.373 422 HD21 ASN 57 1HD2 ASN 57 11.420 5.860 2.443 423 HD22 ASN 57 2HD2 ASN 57 12.466 6.014 1.076 424 H PHE 58 H PHE 58 6.062 5.030 1.521 425 HA PHE 58 HA PHE 58 5.652 5.599 4.310 426 HB2 PHE 58 1HB PHE 58 3.893 5.272 1.916 427 HB3 PHE 58 2HB PHE 58 3.171 5.151 3.518 428 HD1 PHE 58 2HD PHE 58 5.787 7.362 2.036 429 HD2 PHE 58 1HD PHE 58 2.045 7.074 4.043 430 HE1 PHE 58 2HE PHE 58 5.670 9.817 2.163 431 HE2 PHE 58 1HE PHE 58 1.922 9.528 4.172 432 HZ PHE 58 HZ PHE 58 3.736 10.903 3.233 433 H VAL 59 H VAL 59 5.396 2.802 2.206 434 HA VAL 59 HA VAL 59 4.508 1.167 4.483 435 HB VAL 59 HB VAL 59 3.835 -0.518 2.901 436 HG11 VAL 59 1HG1 VAL 59 2.930 2.197 1.945 437 HG12 VAL 59 2HG1 VAL 59 2.081 0.668 1.705 438 HG13 VAL 59 3HG1 VAL 59 2.272 1.326 3.331 439 HG21 VAL 59 1HG2 VAL 59 5.786 0.081 1.322 440 HG22 VAL 59 2HG2 VAL 59 4.277 -0.499 0.616 441 HG23 VAL 59 3HG2 VAL 59 4.651 1.225 0.604 442 H GLN 60 H GLN 60 5.415 -1.118 4.460 443 HA GLN 60 HA GLN 60 8.215 -1.185 3.592 444 HB2 GLN 60 1HB GLN 60 8.223 -0.481 5.937 445 HB3 GLN 60 2HB GLN 60 7.247 -1.878 6.371 446 HG2 GLN 60 1HG GLN 60 9.006 -3.373 5.958 447 HG3 GLN 60 2HG GLN 60 9.938 -2.161 5.081 448 HE21 GLN 60 1HE2 GLN 60 8.995 -3.357 8.191 449 HE22 GLN 60 2HE2 GLN 60 10.121 -2.433 9.119 450 H ARG 61 H ARG 61 8.777 -3.056 2.673 451 HA ARG 61 HA ARG 61 6.937 -5.035 2.039 452 HB2 ARG 61 1HB ARG 61 9.028 -4.676 0.802 453 HB3 ARG 61 2HB ARG 61 9.948 -5.274 2.176 454 HG2 ARG 61 1HG ARG 61 9.278 -7.464 1.840 455 HG3 ARG 61 2HG ARG 61 7.863 -6.990 0.897 456 HD2 ARG 61 1HD ARG 61 9.698 -6.010 -0.722 457 HD3 ARG 61 2HD ARG 61 10.716 -7.210 0.074 458 HE ARG 61 HE ARG 61 8.589 -7.705 -1.798 459 HH11 ARG 61 2HH1 ARG 61 10.498 -9.033 0.792 460 HH12 ARG 61 1HH1 ARG 61 10.239 -10.678 0.314 461 HH21 ARG 61 2HH2 ARG 61 8.241 -9.866 -2.438 462 HH22 ARG 61 1HH2 ARG 61 8.956 -11.151 -1.524 463 H LEU 62 H LEU 62 6.309 -6.927 2.941 464 HA LEU 62 HA LEU 62 7.307 -7.488 5.647 465 HB2 LEU 62 1HB LEU 62 4.690 -7.816 4.291 466 HB3 LEU 62 2HB LEU 62 5.126 -9.011 5.512 467 HG LEU 62 HG LEU 62 3.740 -7.277 6.478 468 HD11 LEU 62 1HD1 LEU 62 6.339 -7.999 7.390 469 HD12 LEU 62 2HD1 LEU 62 4.900 -7.616 8.334 470 HD13 LEU 62 3HD1 LEU 62 6.012 -6.331 7.863 471 HD21 LEU 62 1HD2 LEU 62 3.987 -5.073 6.133 472 HD22 LEU 62 2HD2 LEU 62 4.950 -5.571 4.742 473 HD23 LEU 62 3HD2 LEU 62 5.744 -5.147 6.259 474 H SER 63 H SER 63 9.139 -8.675 5.020 475 HA SER 63 HA SER 63 8.853 -10.999 3.332 476 HB2 SER 63 1HB SER 63 10.940 -9.419 3.678 477 HB3 SER 63 2HB SER 63 11.284 -10.521 5.011 478 HG SER 63 HG SER 63 12.253 -11.159 3.008 479 H GLY 64 H GLY 64 7.752 -12.668 4.164 480 HA2 GLY 64 1HA GLY 64 7.461 -14.558 5.467 481 HA3 GLY 64 2HA GLY 64 8.828 -14.048 6.447 482 HA PRO 65 HA PRO 65 4.753 -13.473 8.741 483 HB2 PRO 65 1HB PRO 65 5.270 -15.233 10.742 484 HB3 PRO 65 2HB PRO 65 4.474 -15.700 9.235 485 HG2 PRO 65 1HG PRO 65 7.340 -16.016 10.039 486 HG3 PRO 65 2HG PRO 65 6.276 -17.169 9.212 487 HD2 PRO 65 1HD PRO 65 8.107 -15.671 7.894 488 HD3 PRO 65 2HD PRO 65 6.564 -16.156 7.162 489 H SER 66 H SER 66 8.015 -12.957 9.105 490 HA SER 66 HA SER 66 7.666 -11.662 11.728 491 HB2 SER 66 1HB SER 66 10.060 -11.870 12.053 492 HB3 SER 66 2HB SER 66 9.405 -13.450 11.625 493 HG SER 66 HG SER 66 10.930 -13.384 10.170 494 H SER 67 H SER 67 8.547 -9.575 12.046 495 HA SER 67 HA SER 67 8.211 -7.830 9.831 496 HB2 SER 67 1HB SER 67 8.664 -6.049 11.365 497 HB3 SER 67 2HB SER 67 7.751 -7.267 12.255 498 HG SER 67 HG SER 67 9.770 -6.317 13.227 499 H GLY 68 H GLY 68 9.626 -7.404 8.280 500 HA2 GLY 68 1HA GLY 68 12.086 -8.372 7.854 501 HA3 GLY 68 2HA GLY 68 11.646 -6.753 7.333 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -9.553 -23.299 2.173 2 HA2 GLY 1 1HA GLY 1 -9.569 -24.790 4.403 3 HA3 GLY 1 2HA GLY 1 -8.106 -25.362 3.615 4 H SER 2 H SER 2 -6.461 -23.729 3.084 5 HA SER 2 HA SER 2 -5.820 -22.160 5.320 6 HB2 SER 2 1HB SER 2 -4.038 -22.938 3.931 7 HB3 SER 2 2HB SER 2 -4.732 -22.174 2.501 8 HG SER 2 HG SER 2 -4.351 -20.141 3.558 9 H SER 3 H SER 3 -5.594 -19.861 5.493 10 HA SER 3 HA SER 3 -7.321 -18.305 3.695 11 HB2 SER 3 1HB SER 3 -8.456 -17.245 5.489 12 HB3 SER 3 2HB SER 3 -8.473 -18.964 5.882 13 HG SER 3 HG SER 3 -7.858 -17.559 7.645 14 H GLY 4 H GLY 4 -6.251 -16.639 2.876 15 HA2 GLY 4 1HA GLY 4 -4.861 -14.706 4.286 16 HA3 GLY 4 2HA GLY 4 -3.663 -15.897 3.801 17 H SER 5 H SER 5 -2.547 -14.955 2.208 18 HA SER 5 HA SER 5 -3.954 -14.307 -0.247 19 HB2 SER 5 1HB SER 5 -2.484 -12.280 1.405 20 HB3 SER 5 2HB SER 5 -2.509 -12.129 -0.352 21 HG SER 5 HG SER 5 -4.339 -11.154 0.044 22 H SER 6 H SER 6 -2.822 -14.931 -1.980 23 HA SER 6 HA SER 6 -0.133 -15.971 -1.554 24 HB2 SER 6 1HB SER 6 -1.942 -17.295 -2.737 25 HB3 SER 6 2HB SER 6 -1.793 -16.154 -4.073 26 HG SER 6 HG SER 6 0.131 -17.971 -3.083 27 H GLY 7 H GLY 7 -0.248 -13.199 -1.454 28 HA2 GLY 7 1HA GLY 7 1.443 -12.543 -3.751 29 HA3 GLY 7 2HA GLY 7 0.035 -11.530 -3.469 30 H ASN 8 H ASN 8 2.693 -10.589 -3.471 31 HA ASN 8 HA ASN 8 3.913 -10.392 -0.981 32 HB2 ASN 8 1HB ASN 8 3.823 -8.280 -3.148 33 HB3 ASN 8 2HB ASN 8 5.005 -8.376 -1.847 34 HD21 ASN 8 1HD2 ASN 8 6.638 -8.442 -3.448 35 HD22 ASN 8 2HD2 ASN 8 6.988 -9.907 -4.294 36 H THR 9 H THR 9 3.347 -9.457 0.864 37 HA THR 9 HA THR 9 1.113 -7.546 0.839 38 HB THR 9 HB THR 9 2.182 -9.070 3.220 39 HG1 THR 9 1HG THR 9 1.256 -10.697 2.198 40 HG21 THR 9 1HG2 THR 9 -0.478 -7.702 2.810 41 HG22 THR 9 2HG2 THR 9 0.889 -6.979 3.658 42 HG23 THR 9 3HG2 THR 9 0.127 -8.436 4.295 43 H TYR 10 H TYR 10 1.219 -5.629 2.042 44 HA TYR 10 HA TYR 10 3.824 -4.884 3.152 45 HB2 TYR 10 1HB TYR 10 2.327 -3.323 1.041 46 HB3 TYR 10 2HB TYR 10 3.657 -2.666 1.987 47 HD1 TYR 10 2HD TYR 10 2.851 -5.542 -0.252 48 HD2 TYR 10 1HD TYR 10 5.817 -2.839 1.163 49 HE1 TYR 10 2HE TYR 10 4.452 -6.455 -1.881 50 HE2 TYR 10 1HE TYR 10 7.426 -3.743 -0.463 51 HH TYR 10 HH TYR 10 7.502 -6.302 -1.747 52 H VAL 11 H VAL 11 3.673 -3.752 4.991 53 HA VAL 11 HA VAL 11 1.001 -3.016 5.922 54 HB VAL 11 HB VAL 11 2.439 -4.420 7.377 55 HG11 VAL 11 1HG1 VAL 11 4.380 -2.447 6.726 56 HG12 VAL 11 2HG1 VAL 11 4.132 -2.430 8.473 57 HG13 VAL 11 3HG1 VAL 11 4.584 -3.929 7.661 58 HG21 VAL 11 1HG2 VAL 11 1.799 -3.387 9.368 59 HG22 VAL 11 2HG2 VAL 11 2.034 -1.766 8.715 60 HG23 VAL 11 3HG2 VAL 11 0.665 -2.741 8.182 61 H ALA 12 H ALA 12 0.448 -0.968 6.606 62 HA ALA 12 HA ALA 12 1.965 1.192 5.429 63 HB1 ALA 12 1HB ALA 12 -0.732 0.891 6.632 64 HB2 ALA 12 2HB ALA 12 -0.010 2.501 6.614 65 HB3 ALA 12 3HB ALA 12 -0.248 1.624 5.102 66 H LEU 13 H LEU 13 3.432 2.382 6.446 67 HA LEU 13 HA LEU 13 3.922 2.001 9.260 68 HB2 LEU 13 1HB LEU 13 5.263 3.913 7.357 69 HB3 LEU 13 2HB LEU 13 5.864 3.386 8.928 70 HG LEU 13 HG LEU 13 5.453 1.464 6.653 71 HD11 LEU 13 1HD1 LEU 13 8.202 2.237 7.135 72 HD12 LEU 13 2HD1 LEU 13 7.222 3.591 6.574 73 HD13 LEU 13 3HD1 LEU 13 7.311 2.112 5.617 74 HD21 LEU 13 1HD2 LEU 13 6.479 -0.062 7.960 75 HD22 LEU 13 2HD2 LEU 13 5.890 0.975 9.260 76 HD23 LEU 13 3HD2 LEU 13 7.555 1.127 8.695 77 H TYR 14 H TYR 14 2.868 4.660 7.170 78 HA TYR 14 HA TYR 14 1.804 6.005 9.556 79 HB2 TYR 14 1HB TYR 14 2.942 7.633 7.314 80 HB3 TYR 14 2HB TYR 14 2.694 8.079 8.998 81 HD1 TYR 14 2HD TYR 14 4.294 7.366 10.721 82 HD2 TYR 14 1HD TYR 14 4.947 6.505 6.605 83 HE1 TYR 14 2HE TYR 14 6.650 6.858 11.207 84 HE2 TYR 14 1HE TYR 14 7.305 5.994 7.081 85 HH TYR 14 HH TYR 14 8.491 5.319 9.985 86 H LYS 15 H LYS 15 0.119 7.612 9.037 87 HA LYS 15 HA LYS 15 -1.764 6.512 7.186 88 HB2 LYS 15 1HB LYS 15 -2.635 7.424 9.209 89 HB3 LYS 15 2HB LYS 15 -1.802 8.952 8.958 90 HG2 LYS 15 1HG LYS 15 -3.239 9.443 7.058 91 HG3 LYS 15 2HG LYS 15 -4.059 7.894 7.268 92 HD2 LYS 15 1HD LYS 15 -5.191 8.590 9.128 93 HD3 LYS 15 2HD LYS 15 -3.928 9.728 9.603 94 HE2 LYS 15 1HE LYS 15 -5.439 10.250 7.093 95 HE3 LYS 15 2HE LYS 15 -6.243 10.552 8.633 96 HZ1 LYS 15 1HZ LYS 15 -4.965 12.328 9.046 97 HZ2 LYS 15 2HZ LYS 15 -4.684 12.325 7.378 98 HZ3 LYS 15 3HZ LYS 15 -3.561 11.616 8.426 99 H PHE 16 H PHE 16 -2.319 7.185 5.189 100 HA PHE 16 HA PHE 16 -0.783 9.429 4.067 101 HB2 PHE 16 1HB PHE 16 -0.467 7.139 3.065 102 HB3 PHE 16 2HB PHE 16 -2.147 7.206 2.542 103 HD1 PHE 16 2HD PHE 16 -2.844 9.013 0.941 104 HD2 PHE 16 1HD PHE 16 1.233 8.175 1.832 105 HE1 PHE 16 2HE PHE 16 -2.158 10.191 -1.107 106 HE2 PHE 16 1HE PHE 16 1.926 9.352 -0.215 107 HZ PHE 16 HZ PHE 16 0.229 10.361 -1.688 108 H VAL 17 H VAL 17 -1.797 11.150 3.205 109 HA VAL 17 HA VAL 17 -4.741 11.126 3.234 110 HB VAL 17 HB VAL 17 -2.864 13.484 3.439 111 HG11 VAL 17 1HG1 VAL 17 -5.420 13.488 2.457 112 HG12 VAL 17 2HG1 VAL 17 -5.667 13.862 4.164 113 HG13 VAL 17 3HG1 VAL 17 -4.602 14.870 3.184 114 HG21 VAL 17 1HG2 VAL 17 -4.545 13.241 5.695 115 HG22 VAL 17 2HG2 VAL 17 -3.834 11.654 5.403 116 HG23 VAL 17 3HG2 VAL 17 -2.792 13.060 5.619 117 HA PRO 18 HA PRO 18 -3.860 11.313 -1.239 118 HB2 PRO 18 1HB PRO 18 -6.242 10.226 -1.958 119 HB3 PRO 18 2HB PRO 18 -4.850 9.252 -1.470 120 HG2 PRO 18 1HG PRO 18 -7.242 10.076 0.131 121 HG3 PRO 18 2HG PRO 18 -6.429 8.501 0.064 122 HD2 PRO 18 1HD PRO 18 -6.025 10.264 2.079 123 HD3 PRO 18 2HD PRO 18 -4.757 9.161 1.506 124 H GLN 19 H GLN 19 -4.021 13.370 -1.916 125 HA GLN 19 HA GLN 19 -6.130 15.128 -1.254 126 HB2 GLN 19 1HB GLN 19 -5.119 16.664 -2.838 127 HB3 GLN 19 2HB GLN 19 -3.865 15.884 -1.883 128 HG2 GLN 19 1HG GLN 19 -3.499 14.304 -3.764 129 HG3 GLN 19 2HG GLN 19 -4.646 15.245 -4.716 130 HE21 GLN 19 1HE2 GLN 19 -4.075 17.298 -5.421 131 HE22 GLN 19 2HE2 GLN 19 -2.438 17.850 -5.420 132 H GLU 20 H GLU 20 -5.503 13.089 -4.061 133 HA GLU 20 HA GLU 20 -8.238 13.665 -4.988 134 HB2 GLU 20 1HB GLU 20 -5.700 13.461 -6.590 135 HB3 GLU 20 2HB GLU 20 -7.269 13.171 -7.327 136 HG2 GLU 20 1HG GLU 20 -7.844 15.493 -6.246 137 HG3 GLU 20 2HG GLU 20 -6.094 15.697 -6.294 138 H ASN 21 H ASN 21 -9.255 11.935 -6.190 139 HA ASN 21 HA ASN 21 -9.324 9.513 -4.996 140 HB2 ASN 21 1HB ASN 21 -10.731 10.495 -6.977 141 HB3 ASN 21 2HB ASN 21 -9.606 9.584 -7.980 142 HD21 ASN 21 1HD2 ASN 21 -11.897 8.698 -8.429 143 HD22 ASN 21 2HD2 ASN 21 -12.324 7.284 -7.532 144 H GLU 22 H GLU 22 -7.266 10.345 -7.772 145 HA GLU 22 HA GLU 22 -6.090 8.034 -8.450 146 HB2 GLU 22 1HB GLU 22 -4.632 10.625 -7.904 147 HB3 GLU 22 2HB GLU 22 -3.976 9.281 -8.828 148 HG2 GLU 22 1HG GLU 22 -6.499 10.735 -9.572 149 HG3 GLU 22 2HG GLU 22 -4.903 11.161 -10.187 150 H ASP 23 H ASP 23 -5.096 9.971 -5.635 151 HA ASP 23 HA ASP 23 -3.171 8.084 -4.731 152 HB2 ASP 23 1HB ASP 23 -4.553 10.361 -3.299 153 HB3 ASP 23 2HB ASP 23 -3.223 9.426 -2.620 154 H LEU 24 H LEU 24 -3.299 6.998 -2.589 155 HA LEU 24 HA LEU 24 -6.015 5.970 -2.084 156 HB2 LEU 24 1HB LEU 24 -5.058 4.099 -2.952 157 HB3 LEU 24 2HB LEU 24 -3.431 4.578 -2.474 158 HG LEU 24 HG LEU 24 -4.135 3.995 -0.093 159 HD11 LEU 24 1HD1 LEU 24 -5.956 2.045 -0.408 160 HD12 LEU 24 2HD1 LEU 24 -6.530 3.196 -1.615 161 HD13 LEU 24 3HD1 LEU 24 -6.364 3.694 0.068 162 HD21 LEU 24 1HD2 LEU 24 -2.669 2.439 -0.803 163 HD22 LEU 24 2HD2 LEU 24 -3.502 2.199 -2.340 164 HD23 LEU 24 3HD2 LEU 24 -4.103 1.414 -0.879 165 H GLU 25 H GLU 25 -6.702 5.890 -0.012 166 HA GLU 25 HA GLU 25 -5.024 7.167 1.988 167 HB2 GLU 25 1HB GLU 25 -7.427 7.799 1.652 168 HB3 GLU 25 2HB GLU 25 -7.877 6.210 2.255 169 HG2 GLU 25 1HG GLU 25 -6.942 6.689 4.404 170 HG3 GLU 25 2HG GLU 25 -6.268 8.210 3.822 171 H MET 26 H MET 26 -3.991 6.143 3.580 172 HA MET 26 HA MET 26 -4.821 3.433 4.321 173 HB2 MET 26 1HB MET 26 -2.281 2.912 4.445 174 HB3 MET 26 2HB MET 26 -3.092 2.840 2.886 175 HG2 MET 26 1HG MET 26 -2.293 5.143 2.427 176 HG3 MET 26 2HG MET 26 -1.378 5.079 3.931 177 HE1 MET 26 1HE MET 26 1.887 4.249 2.480 178 HE2 MET 26 2HE MET 26 0.885 5.684 2.264 179 HE3 MET 26 3HE MET 26 0.929 4.866 3.826 180 H ARG 27 H ARG 27 -3.966 2.730 6.395 181 HA ARG 27 HA ARG 27 -3.223 4.990 8.135 182 HB2 ARG 27 1HB ARG 27 -4.616 4.174 9.860 183 HB3 ARG 27 2HB ARG 27 -5.590 4.100 8.398 184 HG2 ARG 27 1HG ARG 27 -5.516 1.795 8.305 185 HG3 ARG 27 2HG ARG 27 -4.055 1.700 9.291 186 HD2 ARG 27 1HD ARG 27 -5.692 0.999 10.767 187 HD3 ARG 27 2HD ARG 27 -5.548 2.713 11.152 188 HE ARG 27 HE ARG 27 -7.577 2.051 9.199 189 HH11 ARG 27 2HH1 ARG 27 -6.826 2.587 12.556 190 HH12 ARG 27 1HH1 ARG 27 -8.462 2.946 13.000 191 HH21 ARG 27 2HH2 ARG 27 -9.735 2.521 9.771 192 HH22 ARG 27 1HH2 ARG 27 -10.116 2.907 11.415 193 HA PRO 28 HA PRO 28 0.260 2.669 9.460 194 HB2 PRO 28 1HB PRO 28 0.514 3.540 12.019 195 HB3 PRO 28 2HB PRO 28 0.911 4.543 10.619 196 HG2 PRO 28 1HG PRO 28 -1.568 4.528 12.296 197 HG3 PRO 28 2HG PRO 28 -0.652 5.909 11.666 198 HD2 PRO 28 1HD PRO 28 -2.930 5.020 10.504 199 HD3 PRO 28 2HD PRO 28 -1.605 5.748 9.574 200 H GLY 29 H GLY 29 -0.732 0.569 9.367 201 HA2 GLY 29 1HA GLY 29 -0.440 -1.205 11.248 202 HA3 GLY 29 2HA GLY 29 -1.874 -0.414 11.888 203 H ASP 30 H ASP 30 -2.274 -0.125 8.698 204 HA ASP 30 HA ASP 30 -4.066 -2.410 8.595 205 HB2 ASP 30 1HB ASP 30 -3.748 0.122 7.067 206 HB3 ASP 30 2HB ASP 30 -4.463 -1.247 6.220 207 H ILE 31 H ILE 31 -4.204 -3.590 6.438 208 HA ILE 31 HA ILE 31 -1.474 -4.274 5.565 209 HB ILE 31 HB ILE 31 -3.916 -6.050 5.524 210 HG12 ILE 31 1HG1 ILE 31 -3.125 -5.560 7.817 211 HG13 ILE 31 2HG1 ILE 31 -2.883 -7.247 7.378 212 HG21 ILE 31 1HG2 ILE 31 -2.011 -7.792 5.220 213 HG22 ILE 31 2HG2 ILE 31 -2.570 -6.860 3.832 214 HG23 ILE 31 3HG2 ILE 31 -1.079 -6.405 4.657 215 HD11 ILE 31 1HD1 ILE 31 -0.514 -6.678 6.839 216 HD12 ILE 31 2HD1 ILE 31 -0.811 -5.077 7.519 217 HD13 ILE 31 3HD1 ILE 31 -0.951 -6.509 8.539 218 H ILE 32 H ILE 32 -1.017 -3.544 3.605 219 HA ILE 32 HA ILE 32 -3.185 -3.153 1.672 220 HB ILE 32 HB ILE 32 -0.338 -2.146 1.656 221 HG12 ILE 32 1HG1 ILE 32 -1.838 0.066 1.648 222 HG13 ILE 32 2HG1 ILE 32 -2.968 -1.009 2.464 223 HG21 ILE 32 1HG2 ILE 32 -0.981 -2.511 -0.610 224 HG22 ILE 32 2HG2 ILE 32 -2.564 -1.785 -0.338 225 HG23 ILE 32 3HG2 ILE 32 -1.115 -0.781 -0.294 226 HD11 ILE 32 1HD1 ILE 32 -1.803 -0.967 4.361 227 HD12 ILE 32 2HD1 ILE 32 -0.258 -1.139 3.528 228 HD13 ILE 32 3HD1 ILE 32 -1.010 0.449 3.672 229 H THR 33 H THR 33 -3.180 -4.082 -0.351 230 HA THR 33 HA THR 33 -1.367 -6.371 -0.669 231 HB THR 33 HB THR 33 -4.018 -5.819 -2.018 232 HG1 THR 33 1HG THR 33 -4.722 -6.617 -0.186 233 HG21 THR 33 1HG2 THR 33 -2.684 -8.484 -2.039 234 HG22 THR 33 2HG2 THR 33 -2.113 -7.249 -3.162 235 HG23 THR 33 3HG2 THR 33 -3.797 -7.770 -3.206 236 H LEU 34 H LEU 34 0.346 -5.926 -1.894 237 HA LEU 34 HA LEU 34 0.495 -3.810 -3.752 238 HB2 LEU 34 1HB LEU 34 2.373 -5.076 -2.527 239 HB3 LEU 34 2HB LEU 34 2.255 -6.236 -3.849 240 HG LEU 34 HG LEU 34 2.757 -4.379 -5.434 241 HD11 LEU 34 1HD1 LEU 34 3.989 -2.441 -4.114 242 HD12 LEU 34 2HD1 LEU 34 2.797 -2.863 -2.884 243 HD13 LEU 34 3HD1 LEU 34 2.267 -2.368 -4.492 244 HD21 LEU 34 1HD2 LEU 34 4.878 -5.030 -5.311 245 HD22 LEU 34 2HD2 LEU 34 4.470 -5.852 -3.804 246 HD23 LEU 34 3HD2 LEU 34 5.106 -4.207 -3.768 247 H LEU 35 H LEU 35 -0.758 -3.745 -5.509 248 HA LEU 35 HA LEU 35 -1.327 -6.194 -6.989 249 HB2 LEU 35 1HB LEU 35 -2.350 -3.405 -7.487 250 HB3 LEU 35 2HB LEU 35 -2.967 -4.901 -8.185 251 HG LEU 35 HG LEU 35 -3.099 -4.214 -5.251 252 HD11 LEU 35 1HD1 LEU 35 -5.660 -4.193 -6.146 253 HD12 LEU 35 2HD1 LEU 35 -4.812 -3.472 -7.514 254 HD13 LEU 35 3HD1 LEU 35 -4.668 -2.753 -5.910 255 HD21 LEU 35 1HD2 LEU 35 -3.350 -6.467 -5.223 256 HD22 LEU 35 2HD2 LEU 35 -3.881 -6.543 -6.903 257 HD23 LEU 35 3HD2 LEU 35 -5.008 -6.038 -5.644 258 H GLU 36 H GLU 36 -0.281 -2.876 -7.792 259 HA GLU 36 HA GLU 36 1.173 -3.995 -10.095 260 HB2 GLU 36 1HB GLU 36 -0.711 -2.220 -10.371 261 HB3 GLU 36 2HB GLU 36 0.503 -1.085 -9.798 262 HG2 GLU 36 1HG GLU 36 1.982 -1.773 -11.640 263 HG3 GLU 36 2HG GLU 36 0.713 -2.845 -12.231 264 H ASP 37 H ASP 37 3.314 -3.978 -10.026 265 HA ASP 37 HA ASP 37 4.652 -2.037 -8.257 266 HB2 ASP 37 1HB ASP 37 6.366 -3.765 -7.798 267 HB3 ASP 37 2HB ASP 37 4.767 -4.236 -7.228 268 H SER 38 H SER 38 4.073 -1.843 -11.102 269 HA SER 38 HA SER 38 6.369 -2.449 -12.641 270 HB2 SER 38 1HB SER 38 3.939 -1.816 -13.387 271 HB3 SER 38 2HB SER 38 4.551 -0.163 -13.327 272 HG SER 38 HG SER 38 5.132 -2.211 -15.093 273 H ASN 39 H ASN 39 5.350 0.426 -10.862 274 HA ASN 39 HA ASN 39 7.647 1.955 -11.707 275 HB2 ASN 39 1HB ASN 39 5.313 2.871 -11.112 276 HB3 ASN 39 2HB ASN 39 5.810 2.679 -9.433 277 HD21 ASN 39 1HD2 ASN 39 6.881 4.103 -12.491 278 HD22 ASN 39 2HD2 ASN 39 7.615 5.498 -11.784 279 H GLU 40 H GLU 40 8.744 3.191 -9.714 280 HA GLU 40 HA GLU 40 9.673 1.096 -7.860 281 HB2 GLU 40 1HB GLU 40 11.184 3.222 -9.344 282 HB3 GLU 40 2HB GLU 40 11.816 2.571 -7.839 283 HG2 GLU 40 1HG GLU 40 11.810 0.331 -8.788 284 HG3 GLU 40 2HG GLU 40 11.144 0.963 -10.293 285 H ASP 41 H ASP 41 9.377 4.621 -8.257 286 HA ASP 41 HA ASP 41 9.805 5.331 -5.593 287 HB2 ASP 41 1HB ASP 41 8.119 6.684 -7.708 288 HB3 ASP 41 2HB ASP 41 8.552 7.417 -6.166 289 H TRP 42 H TRP 42 6.615 5.406 -7.177 290 HA TRP 42 HA TRP 42 5.425 4.647 -4.594 291 HB2 TRP 42 1HB TRP 42 4.304 6.222 -6.915 292 HB3 TRP 42 2HB TRP 42 3.315 5.641 -5.579 293 HD1 TRP 42 HD TRP 42 6.824 7.190 -5.175 294 HE1 TRP 42 1HE TRP 42 6.602 9.323 -3.752 295 HE3 TRP 42 3HE TRP 42 1.730 7.384 -4.793 296 HZ2 TRP 42 2HZ TRP 42 4.540 10.881 -2.617 297 HZ3 TRP 42 3HZ TRP 42 0.712 9.227 -3.521 298 HH2 TRP 42 HH TRP 42 2.089 10.938 -2.456 299 H TRP 43 H TRP 43 3.858 3.042 -4.496 300 HA TRP 43 HA TRP 43 3.559 1.406 -6.928 301 HB2 TRP 43 1HB TRP 43 3.906 0.468 -4.074 302 HB3 TRP 43 2HB TRP 43 3.481 -0.585 -5.421 303 HD1 TRP 43 HD TRP 43 5.564 0.694 -7.541 304 HE1 TRP 43 1HE TRP 43 8.066 0.149 -7.276 305 HE3 TRP 43 3HE TRP 43 5.580 -0.682 -2.617 306 HZ2 TRP 43 2HZ TRP 43 9.814 -0.746 -5.249 307 HZ3 TRP 43 3HZ TRP 43 7.708 -1.370 -1.591 308 HH2 TRP 43 HH TRP 43 9.780 -1.401 -2.882 309 H LYS 44 H LYS 44 1.608 0.078 -6.994 310 HA LYS 44 HA LYS 44 -0.646 1.490 -5.760 311 HB2 LYS 44 1HB LYS 44 -0.770 1.361 -8.163 312 HB3 LYS 44 2HB LYS 44 -0.493 -0.376 -8.131 313 HG2 LYS 44 1HG LYS 44 -2.632 -0.831 -7.354 314 HG3 LYS 44 2HG LYS 44 -2.871 0.814 -6.760 315 HD2 LYS 44 1HD LYS 44 -2.634 1.462 -9.273 316 HD3 LYS 44 2HD LYS 44 -3.021 -0.236 -9.558 317 HE2 LYS 44 1HE LYS 44 -5.113 0.724 -9.600 318 HE3 LYS 44 2HE LYS 44 -4.990 0.232 -7.912 319 HZ1 LYS 44 1HZ LYS 44 -4.546 2.955 -9.006 320 HZ2 LYS 44 2HZ LYS 44 -4.245 2.517 -7.401 321 HZ3 LYS 44 3HZ LYS 44 -5.821 2.455 -8.012 322 H GLY 45 H GLY 45 -2.420 0.293 -4.863 323 HA2 GLY 45 1HA GLY 45 -2.127 -2.528 -4.353 324 HA3 GLY 45 2HA GLY 45 -1.830 -1.531 -2.937 325 H LYS 46 H LYS 46 -3.734 -3.002 -2.312 326 HA LYS 46 HA LYS 46 -6.210 -1.500 -2.831 327 HB2 LYS 46 1HB LYS 46 -6.344 -3.566 -4.099 328 HB3 LYS 46 2HB LYS 46 -5.907 -4.504 -2.677 329 HG2 LYS 46 1HG LYS 46 -7.975 -4.239 -1.698 330 HG3 LYS 46 2HG LYS 46 -8.337 -2.774 -2.613 331 HD2 LYS 46 1HD LYS 46 -8.123 -5.520 -3.840 332 HD3 LYS 46 2HD LYS 46 -9.642 -4.787 -3.319 333 HE2 LYS 46 1HE LYS 46 -9.086 -2.853 -4.843 334 HE3 LYS 46 2HE LYS 46 -7.773 -3.841 -5.482 335 HZ1 LYS 46 1HZ LYS 46 -10.683 -4.372 -5.629 336 HZ2 LYS 46 2HZ LYS 46 -9.526 -5.559 -5.963 337 HZ3 LYS 46 3HZ LYS 46 -9.598 -4.158 -6.909 338 H ILE 47 H ILE 47 -7.765 -1.545 -1.119 339 HA ILE 47 HA ILE 47 -6.810 -2.540 1.464 340 HB ILE 47 HB ILE 47 -7.730 0.300 1.000 341 HG12 ILE 47 1HG1 ILE 47 -5.055 -0.891 1.747 342 HG13 ILE 47 2HG1 ILE 47 -5.443 0.055 0.314 343 HG21 ILE 47 1HG2 ILE 47 -7.149 0.540 3.446 344 HG22 ILE 47 2HG2 ILE 47 -8.607 -0.383 3.087 345 HG23 ILE 47 3HG2 ILE 47 -7.117 -1.222 3.521 346 HD11 ILE 47 1HD1 ILE 47 -4.912 0.935 3.087 347 HD12 ILE 47 2HD1 ILE 47 -4.433 1.658 1.551 348 HD13 ILE 47 3HD1 ILE 47 -6.081 1.859 2.144 349 H GLN 48 H GLN 48 -8.528 -2.440 3.149 350 HA GLN 48 HA GLN 48 -10.699 -3.868 2.735 351 HB2 GLN 48 1HB GLN 48 -10.618 -1.354 4.407 352 HB3 GLN 48 2HB GLN 48 -11.910 -2.544 4.492 353 HG2 GLN 48 1HG GLN 48 -10.175 -4.251 5.078 354 HG3 GLN 48 2HG GLN 48 -9.016 -2.929 5.203 355 HE21 GLN 48 1HE2 GLN 48 -8.667 -3.336 7.386 356 HE22 GLN 48 2HE2 GLN 48 -9.832 -2.926 8.594 357 H ASP 49 H ASP 49 -11.278 -0.362 2.810 358 HA ASP 49 HA ASP 49 -13.099 -0.702 0.518 359 HB2 ASP 49 1HB ASP 49 -13.479 0.988 2.995 360 HB3 ASP 49 2HB ASP 49 -14.477 1.135 1.551 361 H ARG 50 H ARG 50 -10.226 0.262 0.903 362 HA ARG 50 HA ARG 50 -10.570 2.830 -0.500 363 HB2 ARG 50 1HB ARG 50 -8.495 2.048 1.545 364 HB3 ARG 50 2HB ARG 50 -8.301 3.429 0.475 365 HG2 ARG 50 1HG ARG 50 -9.890 4.662 1.544 366 HG3 ARG 50 2HG ARG 50 -10.799 3.241 2.065 367 HD2 ARG 50 1HD ARG 50 -9.022 2.729 3.689 368 HD3 ARG 50 2HD ARG 50 -8.165 4.186 3.189 369 HE ARG 50 HE ARG 50 -9.627 5.437 4.436 370 HH11 ARG 50 2HH1 ARG 50 -10.901 2.220 4.049 371 HH12 ARG 50 1HH1 ARG 50 -12.195 2.456 5.176 372 HH21 ARG 50 2HH2 ARG 50 -11.326 5.760 5.923 373 HH22 ARG 50 1HH2 ARG 50 -12.436 4.470 6.241 374 H ILE 51 H ILE 51 -9.370 3.157 -2.323 375 HA ILE 51 HA ILE 51 -7.289 1.250 -3.043 376 HB ILE 51 HB ILE 51 -9.670 1.718 -4.842 377 HG12 ILE 51 1HG1 ILE 51 -9.774 -0.889 -4.470 378 HG13 ILE 51 2HG1 ILE 51 -8.922 -0.503 -2.978 379 HG21 ILE 51 1HG2 ILE 51 -8.435 0.937 -6.513 380 HG22 ILE 51 2HG2 ILE 51 -7.031 0.993 -5.449 381 HG23 ILE 51 3HG2 ILE 51 -7.985 -0.485 -5.572 382 HD11 ILE 51 1HD1 ILE 51 -11.685 0.233 -3.823 383 HD12 ILE 51 2HD1 ILE 51 -11.124 -0.493 -2.316 384 HD13 ILE 51 3HD1 ILE 51 -10.828 1.216 -2.636 385 H GLY 52 H GLY 52 -5.787 2.051 -4.481 386 HA2 GLY 52 1HA GLY 52 -5.919 4.039 -6.310 387 HA3 GLY 52 2HA GLY 52 -5.783 4.924 -4.798 388 H PHE 53 H PHE 53 -3.772 5.785 -5.391 389 HA PHE 53 HA PHE 53 -1.568 3.847 -5.579 390 HB2 PHE 53 1HB PHE 53 -1.430 6.784 -6.261 391 HB3 PHE 53 2HB PHE 53 -0.285 5.519 -6.697 392 HD1 PHE 53 2HD PHE 53 -1.358 3.543 -8.106 393 HD2 PHE 53 1HD PHE 53 -2.901 7.502 -7.862 394 HE1 PHE 53 2HE PHE 53 -2.538 3.211 -10.240 395 HE2 PHE 53 1HE PHE 53 -4.084 7.177 -9.995 396 HZ PHE 53 HZ PHE 53 -3.903 5.029 -11.187 397 H PHE 54 H PHE 54 0.467 4.452 -4.506 398 HA PHE 54 HA PHE 54 0.482 6.401 -2.428 399 HB2 PHE 54 1HB PHE 54 0.545 4.912 -0.506 400 HB3 PHE 54 2HB PHE 54 -0.968 4.689 -1.378 401 HD1 PHE 54 1HD PHE 54 -1.358 2.662 -2.692 402 HD2 PHE 54 2HD PHE 54 2.166 3.166 -0.358 403 HE1 PHE 54 1HE PHE 54 -0.914 0.247 -2.846 404 HE2 PHE 54 2HE PHE 54 2.615 0.752 -0.510 405 HZ PHE 54 HZ PHE 54 1.075 -0.711 -1.755 406 HA PRO 55 HA PRO 55 4.810 5.885 -2.953 407 HB2 PRO 55 1HB PRO 55 5.723 6.783 -0.559 408 HB3 PRO 55 2HB PRO 55 5.056 7.855 -1.796 409 HG2 PRO 55 1HG PRO 55 3.741 6.736 0.649 410 HG3 PRO 55 2HG PRO 55 3.662 8.380 -0.011 411 HD2 PRO 55 1HD PRO 55 1.689 6.564 -0.384 412 HD3 PRO 55 2HD PRO 55 2.085 7.806 -1.590 413 H ALA 56 H ALA 56 6.584 4.590 -2.377 414 HA ALA 56 HA ALA 56 5.879 2.158 -0.984 415 HB1 ALA 56 1HB ALA 56 8.371 1.650 -1.615 416 HB2 ALA 56 2HB ALA 56 7.111 1.645 -2.850 417 HB3 ALA 56 3HB ALA 56 8.167 3.046 -2.673 418 H ASN 57 H ASN 57 7.959 4.945 -0.471 419 HA ASN 57 HA ASN 57 9.477 3.991 1.670 420 HB2 ASN 57 1HB ASN 57 10.188 6.023 0.719 421 HB3 ASN 57 2HB ASN 57 8.591 6.751 0.861 422 HD21 ASN 57 1HD2 ASN 57 11.627 6.394 2.264 423 HD22 ASN 57 2HD2 ASN 57 11.293 7.149 3.782 424 H PHE 58 H PHE 58 6.181 5.069 1.517 425 HA PHE 58 HA PHE 58 5.832 5.552 4.301 426 HB2 PHE 58 1HB PHE 58 4.013 5.224 1.951 427 HB3 PHE 58 2HB PHE 58 3.329 5.127 3.571 428 HD1 PHE 58 2HD PHE 58 6.021 7.289 2.174 429 HD2 PHE 58 1HD PHE 58 2.152 7.073 3.934 430 HE1 PHE 58 2HE PHE 58 5.936 9.745 2.279 431 HE2 PHE 58 1HE PHE 58 2.060 9.529 4.041 432 HZ PHE 58 HZ PHE 58 3.954 10.869 3.214 433 H VAL 59 H VAL 59 5.415 2.750 2.211 434 HA VAL 59 HA VAL 59 4.579 1.141 4.520 435 HB VAL 59 HB VAL 59 3.897 -0.563 2.940 436 HG11 VAL 59 1HG1 VAL 59 2.206 0.791 1.615 437 HG12 VAL 59 2HG1 VAL 59 2.196 1.011 3.366 438 HG13 VAL 59 3HG1 VAL 59 2.948 2.223 2.328 439 HG21 VAL 59 1HG2 VAL 59 4.562 -0.691 0.802 440 HG22 VAL 59 2HG2 VAL 59 4.320 1.033 0.520 441 HG23 VAL 59 3HG2 VAL 59 5.805 0.463 1.282 442 H GLN 60 H GLN 60 5.507 -1.053 4.701 443 HA GLN 60 HA GLN 60 8.308 -1.147 3.799 444 HB2 GLN 60 1HB GLN 60 8.271 -0.568 6.158 445 HB3 GLN 60 2HB GLN 60 7.214 -1.930 6.505 446 HG2 GLN 60 1HG GLN 60 8.927 -3.496 6.046 447 HG3 GLN 60 2HG GLN 60 9.967 -2.253 5.350 448 HE21 GLN 60 1HE2 GLN 60 11.211 -1.012 6.666 449 HE22 GLN 60 2HE2 GLN 60 11.336 -1.246 8.373 450 H ARG 61 H ARG 61 8.873 -2.945 2.759 451 HA ARG 61 HA ARG 61 7.061 -4.901 1.992 452 HB2 ARG 61 1HB ARG 61 9.158 -4.469 0.800 453 HB3 ARG 61 2HB ARG 61 10.072 -5.111 2.158 454 HG2 ARG 61 1HG ARG 61 9.382 -7.301 1.743 455 HG3 ARG 61 2HG ARG 61 8.042 -6.779 0.721 456 HD2 ARG 61 1HD ARG 61 9.521 -7.441 -0.888 457 HD3 ARG 61 2HD ARG 61 9.997 -5.752 -0.720 458 HE ARG 61 HE ARG 61 11.437 -7.584 0.982 459 HH11 ARG 61 2HH1 ARG 61 11.317 -5.992 -2.112 460 HH12 ARG 61 1HH1 ARG 61 13.018 -6.147 -2.404 461 HH21 ARG 61 2HH2 ARG 61 13.678 -7.794 0.609 462 HH22 ARG 61 1HH2 ARG 61 14.359 -7.173 -0.856 463 H LEU 62 H LEU 62 6.345 -6.762 2.847 464 HA LEU 62 HA LEU 62 7.591 -7.689 5.351 465 HB2 LEU 62 1HB LEU 62 4.737 -7.300 4.602 466 HB3 LEU 62 2HB LEU 62 5.148 -8.622 5.692 467 HG LEU 62 HG LEU 62 5.951 -5.776 6.243 468 HD11 LEU 62 1HD1 LEU 62 3.646 -5.540 6.182 469 HD12 LEU 62 2HD1 LEU 62 3.955 -5.927 7.874 470 HD13 LEU 62 3HD1 LEU 62 3.360 -7.175 6.780 471 HD21 LEU 62 1HD2 LEU 62 5.610 -6.996 8.622 472 HD22 LEU 62 2HD2 LEU 62 7.146 -6.941 7.757 473 HD23 LEU 62 3HD2 LEU 62 6.115 -8.367 7.635 474 H SER 63 H SER 63 8.855 -9.278 4.438 475 HA SER 63 HA SER 63 7.528 -11.323 2.812 476 HB2 SER 63 1HB SER 63 10.476 -10.956 3.394 477 HB3 SER 63 2HB SER 63 9.775 -12.094 2.245 478 HG SER 63 HG SER 63 9.482 -10.524 0.858 479 H GLY 64 H GLY 64 6.427 -12.560 4.288 480 HA2 GLY 64 1HA GLY 64 7.993 -13.732 6.492 481 HA3 GLY 64 2HA GLY 64 6.239 -13.627 6.441 482 HA PRO 65 HA PRO 65 8.036 -17.704 4.622 483 HB2 PRO 65 1HB PRO 65 8.118 -19.264 6.842 484 HB3 PRO 65 2HB PRO 65 9.501 -18.316 6.283 485 HG2 PRO 65 1HG PRO 65 7.522 -17.689 8.440 486 HG3 PRO 65 2HG PRO 65 9.283 -17.481 8.442 487 HD2 PRO 65 1HD PRO 65 7.574 -15.428 7.999 488 HD3 PRO 65 2HD PRO 65 9.179 -15.515 7.244 489 H SER 66 H SER 66 6.431 -18.813 3.716 490 HA SER 66 HA SER 66 3.767 -18.711 4.691 491 HB2 SER 66 1HB SER 66 3.319 -20.361 2.837 492 HB3 SER 66 2HB SER 66 4.111 -18.872 2.321 493 HG SER 66 HG SER 66 5.530 -21.241 2.949 494 H SER 67 H SER 67 3.588 -19.618 6.707 495 HA SER 67 HA SER 67 3.894 -22.539 6.808 496 HB2 SER 67 1HB SER 67 4.628 -20.650 9.058 497 HB3 SER 67 2HB SER 67 4.740 -22.409 9.094 498 HG SER 67 HG SER 67 6.078 -20.994 7.077 499 H GLY 68 H GLY 68 2.027 -23.486 7.269 500 HA2 GLY 68 1HA GLY 68 0.137 -22.077 9.042 501 HA3 GLY 68 2HA GLY 68 -0.413 -22.776 7.526 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -13.151 -25.619 4.632 2 HA2 GLY 1 1HA GLY 1 -12.149 -23.565 5.625 3 HA3 GLY 1 2HA GLY 1 -10.930 -24.615 4.920 4 H SER 2 H SER 2 -10.464 -21.918 5.266 5 HA SER 2 HA SER 2 -10.591 -20.880 2.510 6 HB2 SER 2 1HB SER 2 -10.319 -18.614 3.564 7 HB3 SER 2 2HB SER 2 -11.831 -19.424 3.974 8 HG SER 2 HG SER 2 -9.819 -18.615 5.597 9 H SER 3 H SER 3 -8.752 -19.521 1.857 10 HA SER 3 HA SER 3 -6.281 -19.724 3.304 11 HB2 SER 3 1HB SER 3 -6.244 -21.949 2.387 12 HB3 SER 3 2HB SER 3 -6.678 -21.351 0.785 13 HG SER 3 HG SER 3 -4.482 -20.085 1.637 14 H GLY 4 H GLY 4 -4.987 -18.061 2.789 15 HA2 GLY 4 1HA GLY 4 -5.398 -16.729 0.192 16 HA3 GLY 4 2HA GLY 4 -5.417 -15.793 1.680 17 H SER 5 H SER 5 -3.511 -15.264 2.680 18 HA SER 5 HA SER 5 -1.327 -14.519 2.497 19 HB2 SER 5 1HB SER 5 0.258 -16.435 2.842 20 HB3 SER 5 2HB SER 5 -1.120 -16.437 3.943 21 HG SER 5 HG SER 5 -1.756 -18.259 3.115 22 H SER 6 H SER 6 -2.468 -14.439 -0.034 23 HA SER 6 HA SER 6 -0.299 -15.429 -1.765 24 HB2 SER 6 1HB SER 6 -2.479 -16.378 -2.347 25 HB3 SER 6 2HB SER 6 -3.164 -14.759 -2.485 26 HG SER 6 HG SER 6 -0.897 -15.311 -4.001 27 H GLY 7 H GLY 7 0.687 -14.041 -3.207 28 HA2 GLY 7 1HA GLY 7 1.287 -12.040 -4.189 29 HA3 GLY 7 2HA GLY 7 -0.232 -11.359 -3.626 30 H ASN 8 H ASN 8 2.682 -10.457 -3.591 31 HA ASN 8 HA ASN 8 3.660 -10.375 -0.986 32 HB2 ASN 8 1HB ASN 8 3.931 -8.211 -3.084 33 HB3 ASN 8 2HB ASN 8 4.992 -8.467 -1.702 34 HD21 ASN 8 1HD2 ASN 8 6.790 -9.512 -2.110 35 HD22 ASN 8 2HD2 ASN 8 7.055 -10.621 -3.409 36 H THR 9 H THR 9 3.013 -9.385 0.807 37 HA THR 9 HA THR 9 0.903 -7.349 0.589 38 HB THR 9 HB THR 9 0.525 -7.866 3.045 39 HG1 THR 9 1HG THR 9 1.348 -10.202 3.380 40 HG21 THR 9 1HG2 THR 9 -0.028 -9.677 0.759 41 HG22 THR 9 2HG2 THR 9 -1.145 -8.796 1.801 42 HG23 THR 9 3HG2 THR 9 -0.387 -10.280 2.376 43 H TYR 10 H TYR 10 1.050 -5.409 1.696 44 HA TYR 10 HA TYR 10 3.592 -4.834 3.052 45 HB2 TYR 10 1HB TYR 10 2.304 -3.202 0.862 46 HB3 TYR 10 2HB TYR 10 3.552 -2.567 1.929 47 HD1 TYR 10 2HD TYR 10 2.978 -5.569 -0.232 48 HD2 TYR 10 1HD TYR 10 5.711 -2.607 1.131 49 HE1 TYR 10 2HE TYR 10 4.706 -6.488 -1.721 50 HE2 TYR 10 1HE TYR 10 7.447 -3.517 -0.355 51 HH TYR 10 HH TYR 10 7.103 -5.131 -2.813 52 H VAL 11 H VAL 11 3.463 -3.482 4.789 53 HA VAL 11 HA VAL 11 0.751 -2.704 5.612 54 HB VAL 11 HB VAL 11 2.010 -4.218 7.128 55 HG11 VAL 11 1HG1 VAL 11 4.157 -2.604 6.558 56 HG12 VAL 11 2HG1 VAL 11 3.725 -2.118 8.199 57 HG13 VAL 11 3HG1 VAL 11 4.087 -3.808 7.844 58 HG21 VAL 11 1HG2 VAL 11 0.722 -1.725 7.802 59 HG22 VAL 11 2HG2 VAL 11 0.597 -3.301 8.584 60 HG23 VAL 11 3HG2 VAL 11 1.891 -2.192 9.038 61 H ALA 12 H ALA 12 0.259 -0.631 6.197 62 HA ALA 12 HA ALA 12 1.933 1.446 5.149 63 HB1 ALA 12 1HB ALA 12 -0.770 1.307 6.378 64 HB2 ALA 12 2HB ALA 12 0.055 2.866 6.340 65 HB3 ALA 12 3HB ALA 12 -0.261 1.998 4.837 66 H LEU 13 H LEU 13 3.575 2.349 6.187 67 HA LEU 13 HA LEU 13 4.024 1.937 8.979 68 HB2 LEU 13 1HB LEU 13 5.443 3.785 7.066 69 HB3 LEU 13 2HB LEU 13 6.021 3.288 8.655 70 HG LEU 13 HG LEU 13 5.589 1.386 6.356 71 HD11 LEU 13 1HD1 LEU 13 7.965 1.446 5.991 72 HD12 LEU 13 2HD1 LEU 13 8.179 2.597 7.310 73 HD13 LEU 13 3HD1 LEU 13 7.319 3.081 5.848 74 HD21 LEU 13 1HD2 LEU 13 7.341 0.942 8.739 75 HD22 LEU 13 2HD2 LEU 13 6.582 -0.238 7.669 76 HD23 LEU 13 3HD2 LEU 13 5.605 0.644 8.844 77 H TYR 14 H TYR 14 3.032 4.685 6.987 78 HA TYR 14 HA TYR 14 2.146 6.040 9.440 79 HB2 TYR 14 1HB TYR 14 3.254 7.609 7.132 80 HB3 TYR 14 2HB TYR 14 3.047 8.105 8.808 81 HD1 TYR 14 1HD TYR 14 5.150 6.197 6.474 82 HD2 TYR 14 2HD TYR 14 4.713 7.592 10.470 83 HE1 TYR 14 1HE TYR 14 7.499 5.624 6.925 84 HE2 TYR 14 2HE TYR 14 7.061 7.024 10.932 85 HH TYR 14 HH TYR 14 9.185 6.733 9.582 86 H LYS 15 H LYS 15 0.529 7.768 8.991 87 HA LYS 15 HA LYS 15 -1.521 6.738 7.277 88 HB2 LYS 15 1HB LYS 15 -2.168 7.731 9.369 89 HB3 LYS 15 2HB LYS 15 -1.348 9.234 8.969 90 HG2 LYS 15 1HG LYS 15 -2.951 9.537 7.092 91 HG3 LYS 15 2HG LYS 15 -3.821 8.115 7.671 92 HD2 LYS 15 1HD LYS 15 -4.958 9.962 8.590 93 HD3 LYS 15 2HD LYS 15 -3.979 9.313 9.909 94 HE2 LYS 15 1HE LYS 15 -2.220 11.053 9.009 95 HE3 LYS 15 2HE LYS 15 -3.658 11.839 8.359 96 HZ1 LYS 15 1HZ LYS 15 -4.365 12.429 10.396 97 HZ2 LYS 15 2HZ LYS 15 -2.733 12.272 10.810 98 HZ3 LYS 15 3HZ LYS 15 -3.814 11.013 11.138 99 H PHE 16 H PHE 16 -2.144 7.404 5.301 100 HA PHE 16 HA PHE 16 -0.597 9.588 4.077 101 HB2 PHE 16 1HB PHE 16 -0.355 7.283 3.097 102 HB3 PHE 16 2HB PHE 16 -2.055 7.360 2.648 103 HD1 PHE 16 2HD PHE 16 -2.813 9.062 1.001 104 HD2 PHE 16 1HD PHE 16 1.305 8.363 1.817 105 HE1 PHE 16 2HE PHE 16 -2.209 10.196 -1.097 106 HE2 PHE 16 1HE PHE 16 1.917 9.497 -0.280 107 HZ PHE 16 HZ PHE 16 0.159 10.414 -1.741 108 H VAL 17 H VAL 17 -1.615 11.270 3.101 109 HA VAL 17 HA VAL 17 -4.558 11.306 3.268 110 HB VAL 17 HB VAL 17 -2.664 13.657 3.394 111 HG11 VAL 17 1HG1 VAL 17 -5.168 13.752 2.456 112 HG12 VAL 17 2HG1 VAL 17 -5.503 13.897 4.182 113 HG13 VAL 17 3HG1 VAL 17 -4.441 15.060 3.388 114 HG21 VAL 17 1HG2 VAL 17 -3.653 11.850 5.423 115 HG22 VAL 17 2HG2 VAL 17 -2.436 13.121 5.545 116 HG23 VAL 17 3HG2 VAL 17 -4.143 13.513 5.745 117 HA PRO 18 HA PRO 18 -3.808 11.458 -1.224 118 HB2 PRO 18 1HB PRO 18 -6.248 10.458 -1.869 119 HB3 PRO 18 2HB PRO 18 -4.881 9.435 -1.413 120 HG2 PRO 18 1HG PRO 18 -7.193 10.357 0.250 121 HG3 PRO 18 2HG PRO 18 -6.442 8.752 0.169 122 HD2 PRO 18 1HD PRO 18 -5.915 10.509 2.161 123 HD3 PRO 18 2HD PRO 18 -4.706 9.357 1.560 124 H GLN 19 H GLN 19 -3.862 13.602 -1.708 125 HA GLN 19 HA GLN 19 -5.964 15.366 -1.080 126 HB2 GLN 19 1HB GLN 19 -3.795 15.546 -3.175 127 HB3 GLN 19 2HB GLN 19 -4.885 16.867 -2.775 128 HG2 GLN 19 1HG GLN 19 -4.010 16.430 -0.342 129 HG3 GLN 19 2HG GLN 19 -2.648 15.708 -1.198 130 HE21 GLN 19 1HE2 GLN 19 -1.320 17.359 -0.334 131 HE22 GLN 19 2HE2 GLN 19 -1.319 18.945 -1.019 132 H GLU 20 H GLU 20 -5.300 13.381 -3.908 133 HA GLU 20 HA GLU 20 -7.921 14.178 -4.996 134 HB2 GLU 20 1HB GLU 20 -5.444 13.343 -6.516 135 HB3 GLU 20 2HB GLU 20 -7.014 13.658 -7.241 136 HG2 GLU 20 1HG GLU 20 -6.907 15.957 -6.707 137 HG3 GLU 20 2HG GLU 20 -5.518 15.716 -5.649 138 H ASN 21 H ASN 21 -9.192 12.557 -5.966 139 HA ASN 21 HA ASN 21 -9.501 10.195 -4.691 140 HB2 ASN 21 1HB ASN 21 -10.028 10.823 -7.598 141 HB3 ASN 21 2HB ASN 21 -10.567 9.334 -6.826 142 HD21 ASN 21 1HD2 ASN 21 -11.298 12.539 -7.485 143 HD22 ASN 21 2HD2 ASN 21 -12.668 12.708 -6.446 144 H GLU 22 H GLU 22 -7.529 10.670 -7.612 145 HA GLU 22 HA GLU 22 -6.693 8.176 -8.209 146 HB2 GLU 22 1HB GLU 22 -4.900 10.602 -8.006 147 HB3 GLU 22 2HB GLU 22 -4.531 9.139 -8.907 148 HG2 GLU 22 1HG GLU 22 -6.692 9.604 -10.190 149 HG3 GLU 22 2HG GLU 22 -6.608 11.216 -9.482 150 H ASP 23 H ASP 23 -5.313 10.193 -5.629 151 HA ASP 23 HA ASP 23 -3.429 8.278 -4.748 152 HB2 ASP 23 1HB ASP 23 -4.689 10.621 -3.308 153 HB3 ASP 23 2HB ASP 23 -3.344 9.676 -2.674 154 H LEU 24 H LEU 24 -3.465 7.256 -2.570 155 HA LEU 24 HA LEU 24 -6.160 6.240 -1.948 156 HB2 LEU 24 1HB LEU 24 -5.054 4.397 -2.800 157 HB3 LEU 24 2HB LEU 24 -3.506 4.883 -2.113 158 HG LEU 24 HG LEU 24 -4.380 4.268 0.135 159 HD11 LEU 24 1HD1 LEU 24 -6.829 4.070 -1.324 160 HD12 LEU 24 2HD1 LEU 24 -6.554 3.948 0.413 161 HD13 LEU 24 3HD1 LEU 24 -6.448 2.508 -0.599 162 HD21 LEU 24 1HD2 LEU 24 -4.105 2.281 -2.081 163 HD22 LEU 24 2HD2 LEU 24 -4.482 1.738 -0.446 164 HD23 LEU 24 3HD2 LEU 24 -2.999 2.643 -0.756 165 H GLU 25 H GLU 25 -6.733 5.957 0.205 166 HA GLU 25 HA GLU 25 -5.093 7.476 2.100 167 HB2 GLU 25 1HB GLU 25 -7.533 8.050 1.694 168 HB3 GLU 25 2HB GLU 25 -7.931 6.538 2.498 169 HG2 GLU 25 1HG GLU 25 -6.933 7.289 4.541 170 HG3 GLU 25 2HG GLU 25 -6.317 8.742 3.756 171 H MET 26 H MET 26 -3.754 6.306 3.301 172 HA MET 26 HA MET 26 -4.708 3.717 4.335 173 HB2 MET 26 1HB MET 26 -2.161 3.183 4.395 174 HB3 MET 26 2HB MET 26 -3.037 3.041 2.876 175 HG2 MET 26 1HG MET 26 -2.234 5.264 2.221 176 HG3 MET 26 2HG MET 26 -1.328 5.367 3.728 177 HE1 MET 26 1HE MET 26 1.868 4.737 1.898 178 HE2 MET 26 2HE MET 26 0.623 5.941 1.564 179 HE3 MET 26 3HE MET 26 1.020 5.521 3.231 180 H ARG 27 H ARG 27 -3.828 3.082 6.409 181 HA ARG 27 HA ARG 27 -2.873 5.350 8.025 182 HB2 ARG 27 1HB ARG 27 -5.183 3.527 8.480 183 HB3 ARG 27 2HB ARG 27 -4.245 4.022 9.883 184 HG2 ARG 27 1HG ARG 27 -4.694 6.333 9.446 185 HG3 ARG 27 2HG ARG 27 -5.472 5.936 7.913 186 HD2 ARG 27 1HD ARG 27 -7.315 6.170 9.247 187 HD3 ARG 27 2HD ARG 27 -6.998 4.449 9.458 188 HE ARG 27 HE ARG 27 -5.587 5.710 11.452 189 HH11 ARG 27 2HH1 ARG 27 -8.917 5.519 10.456 190 HH12 ARG 27 1HH1 ARG 27 -9.544 5.730 12.057 191 HH21 ARG 27 2HH2 ARG 27 -6.400 5.989 13.565 192 HH22 ARG 27 1HH2 ARG 27 -8.112 5.998 13.825 193 HA PRO 28 HA PRO 28 0.260 2.730 9.624 194 HB2 PRO 28 1HB PRO 28 0.375 3.468 12.234 195 HB3 PRO 28 2HB PRO 28 0.951 4.498 10.918 196 HG2 PRO 28 1HG PRO 28 -1.647 4.597 12.403 197 HG3 PRO 28 2HG PRO 28 -0.588 5.931 11.911 198 HD2 PRO 28 1HD PRO 28 -2.826 5.267 10.540 199 HD3 PRO 28 2HD PRO 28 -1.383 5.932 9.748 200 H GLY 29 H GLY 29 -0.274 0.604 9.633 201 HA2 GLY 29 1HA GLY 29 -0.448 -1.231 11.288 202 HA3 GLY 29 2HA GLY 29 -1.830 -0.370 11.951 203 H ASP 30 H ASP 30 -2.314 0.204 8.874 204 HA ASP 30 HA ASP 30 -4.207 -1.961 8.589 205 HB2 ASP 30 1HB ASP 30 -3.661 0.600 7.148 206 HB3 ASP 30 2HB ASP 30 -4.572 -0.659 6.319 207 H ILE 31 H ILE 31 -4.364 -3.270 6.655 208 HA ILE 31 HA ILE 31 -1.707 -4.018 5.662 209 HB ILE 31 HB ILE 31 -4.284 -5.582 5.478 210 HG12 ILE 31 1HG1 ILE 31 -3.477 -5.212 7.818 211 HG13 ILE 31 2HG1 ILE 31 -3.487 -6.903 7.329 212 HG21 ILE 31 1HG2 ILE 31 -2.511 -7.458 5.162 213 HG22 ILE 31 2HG2 ILE 31 -2.946 -6.429 3.798 214 HG23 ILE 31 3HG2 ILE 31 -1.455 -6.128 4.689 215 HD11 ILE 31 1HD1 ILE 31 -1.164 -6.991 7.181 216 HD12 ILE 31 2HD1 ILE 31 -1.009 -5.234 7.137 217 HD13 ILE 31 3HD1 ILE 31 -1.475 -6.042 8.634 218 H ILE 32 H ILE 32 -1.224 -4.120 3.504 219 HA ILE 32 HA ILE 32 -3.309 -3.281 1.608 220 HB ILE 32 HB ILE 32 -0.483 -2.217 1.684 221 HG12 ILE 32 1HG1 ILE 32 -2.920 -0.497 1.804 222 HG13 ILE 32 2HG1 ILE 32 -2.438 -1.358 3.262 223 HG21 ILE 32 1HG2 ILE 32 -2.675 -2.005 -0.341 224 HG22 ILE 32 2HG2 ILE 32 -1.482 -0.718 -0.172 225 HG23 ILE 32 3HG2 ILE 32 -0.962 -2.353 -0.580 226 HD11 ILE 32 1HD1 ILE 32 -1.525 0.871 3.267 227 HD12 ILE 32 2HD1 ILE 32 -0.222 -0.308 3.115 228 HD13 ILE 32 3HD1 ILE 32 -0.764 0.594 1.700 229 H THR 33 H THR 33 -3.371 -4.405 -0.248 230 HA THR 33 HA THR 33 -1.400 -6.537 -0.600 231 HB THR 33 HB THR 33 -4.057 -6.107 -1.981 232 HG1 THR 33 1HG THR 33 -3.720 -6.841 0.421 233 HG21 THR 33 1HG2 THR 33 -2.602 -7.355 -3.429 234 HG22 THR 33 2HG2 THR 33 -3.740 -8.483 -2.692 235 HG23 THR 33 3HG2 THR 33 -2.083 -8.387 -2.097 236 H LEU 34 H LEU 34 0.333 -5.869 -1.720 237 HA LEU 34 HA LEU 34 0.278 -3.840 -3.699 238 HB2 LEU 34 1HB LEU 34 2.241 -4.711 -2.264 239 HB3 LEU 34 2HB LEU 34 2.411 -5.937 -3.519 240 HG LEU 34 HG LEU 34 2.611 -3.989 -5.157 241 HD11 LEU 34 1HD1 LEU 34 2.031 -2.036 -4.184 242 HD12 LEU 34 2HD1 LEU 34 3.732 -2.025 -3.720 243 HD13 LEU 34 3HD1 LEU 34 2.508 -2.569 -2.571 244 HD21 LEU 34 1HD2 LEU 34 4.708 -4.709 -5.081 245 HD22 LEU 34 2HD2 LEU 34 4.515 -5.229 -3.407 246 HD23 LEU 34 3HD2 LEU 34 5.012 -3.574 -3.766 247 H LEU 35 H LEU 35 -0.593 -4.009 -5.648 248 HA LEU 35 HA LEU 35 -0.778 -6.641 -6.919 249 HB2 LEU 35 1HB LEU 35 -2.064 -4.074 -7.817 250 HB3 LEU 35 2HB LEU 35 -2.463 -5.714 -8.326 251 HG LEU 35 HG LEU 35 -2.851 -4.758 -5.499 252 HD11 LEU 35 1HD1 LEU 35 -5.001 -4.859 -7.593 253 HD12 LEU 35 2HD1 LEU 35 -4.105 -3.385 -7.230 254 HD13 LEU 35 3HD1 LEU 35 -5.072 -4.160 -5.975 255 HD21 LEU 35 1HD2 LEU 35 -4.358 -6.641 -5.353 256 HD22 LEU 35 2HD2 LEU 35 -2.776 -7.190 -5.907 257 HD23 LEU 35 3HD2 LEU 35 -4.102 -7.017 -7.058 258 H GLU 36 H GLU 36 0.123 -3.293 -7.737 259 HA GLU 36 HA GLU 36 1.786 -4.368 -9.917 260 HB2 GLU 36 1HB GLU 36 -0.152 -2.687 -10.363 261 HB3 GLU 36 2HB GLU 36 0.963 -1.489 -9.720 262 HG2 GLU 36 1HG GLU 36 2.418 -1.690 -11.488 263 HG3 GLU 36 2HG GLU 36 1.869 -3.316 -11.893 264 H ASP 37 H ASP 37 3.927 -4.004 -9.917 265 HA ASP 37 HA ASP 37 5.022 -2.072 -7.992 266 HB2 ASP 37 1HB ASP 37 6.785 -3.665 -7.373 267 HB3 ASP 37 2HB ASP 37 5.189 -4.298 -6.980 268 H SER 38 H SER 38 4.606 -1.948 -10.881 269 HA SER 38 HA SER 38 7.035 -2.393 -12.261 270 HB2 SER 38 1HB SER 38 4.653 -1.984 -13.204 271 HB3 SER 38 2HB SER 38 5.054 -0.273 -13.059 272 HG SER 38 HG SER 38 6.494 -2.226 -14.536 273 H ASN 39 H ASN 39 5.674 0.448 -10.650 274 HA ASN 39 HA ASN 39 7.893 2.134 -11.354 275 HB2 ASN 39 1HB ASN 39 5.580 2.497 -9.443 276 HB3 ASN 39 2HB ASN 39 6.806 3.730 -9.727 277 HD21 ASN 39 1HD2 ASN 39 6.949 4.687 -11.793 278 HD22 ASN 39 2HD2 ASN 39 5.598 4.681 -12.870 279 H GLU 40 H GLU 40 9.114 3.307 -9.597 280 HA GLU 40 HA GLU 40 9.967 1.360 -7.561 281 HB2 GLU 40 1HB GLU 40 11.454 3.456 -9.110 282 HB3 GLU 40 2HB GLU 40 12.072 2.893 -7.563 283 HG2 GLU 40 1HG GLU 40 12.169 0.620 -8.397 284 HG3 GLU 40 2HG GLU 40 11.475 1.136 -9.933 285 H ASP 41 H ASP 41 8.990 4.668 -8.136 286 HA ASP 41 HA ASP 41 9.525 5.553 -5.455 287 HB2 ASP 41 1HB ASP 41 7.786 6.854 -7.561 288 HB3 ASP 41 2HB ASP 41 8.452 7.623 -6.123 289 H TRP 42 H TRP 42 6.431 5.475 -7.223 290 HA TRP 42 HA TRP 42 5.120 4.742 -4.691 291 HB2 TRP 42 1HB TRP 42 4.034 6.217 -7.097 292 HB3 TRP 42 2HB TRP 42 3.057 5.710 -5.723 293 HD1 TRP 42 HD TRP 42 6.539 7.398 -5.584 294 HE1 TRP 42 1HE TRP 42 6.312 9.576 -4.230 295 HE3 TRP 42 3HE TRP 42 1.484 7.359 -4.823 296 HZ2 TRP 42 2HZ TRP 42 4.262 11.077 -3.002 297 HZ3 TRP 42 3HZ TRP 42 0.468 9.202 -3.549 298 HH2 TRP 42 HH TRP 42 1.831 11.022 -2.657 299 H TRP 43 H TRP 43 3.637 3.075 -4.636 300 HA TRP 43 HA TRP 43 3.529 1.392 -7.054 301 HB2 TRP 43 1HB TRP 43 3.597 0.554 -4.149 302 HB3 TRP 43 2HB TRP 43 3.307 -0.547 -5.492 303 HD1 TRP 43 HD TRP 43 5.601 0.782 -7.412 304 HE1 TRP 43 1HE TRP 43 8.060 0.218 -6.900 305 HE3 TRP 43 3HE TRP 43 5.100 -0.690 -2.542 306 HZ2 TRP 43 2HZ TRP 43 9.585 -0.726 -4.721 307 HZ3 TRP 43 3HZ TRP 43 7.107 -1.410 -1.315 308 HH2 TRP 43 HH TRP 43 9.302 -1.427 -2.384 309 H LYS 44 H LYS 44 1.633 -0.338 -6.628 310 HA LYS 44 HA LYS 44 -0.750 1.183 -5.801 311 HB2 LYS 44 1HB LYS 44 -0.543 1.073 -8.274 312 HB3 LYS 44 2HB LYS 44 -0.565 -0.683 -8.173 313 HG2 LYS 44 1HG LYS 44 -2.813 -0.597 -7.213 314 HG3 LYS 44 2HG LYS 44 -2.790 1.164 -7.330 315 HD2 LYS 44 1HD LYS 44 -2.351 0.820 -9.821 316 HD3 LYS 44 2HD LYS 44 -2.816 -0.862 -9.552 317 HE2 LYS 44 1HE LYS 44 -4.996 -0.212 -8.820 318 HE3 LYS 44 2HE LYS 44 -4.542 1.491 -8.800 319 HZ1 LYS 44 1HZ LYS 44 -4.018 0.841 -11.336 320 HZ2 LYS 44 2HZ LYS 44 -5.493 1.484 -10.815 321 HZ3 LYS 44 3HZ LYS 44 -5.327 -0.186 -11.026 322 H GLY 45 H GLY 45 -2.316 0.076 -4.692 323 HA2 GLY 45 1HA GLY 45 -2.050 -2.824 -4.402 324 HA3 GLY 45 2HA GLY 45 -1.906 -1.848 -2.947 325 H LYS 46 H LYS 46 -3.762 -3.186 -2.274 326 HA LYS 46 HA LYS 46 -6.244 -1.802 -2.928 327 HB2 LYS 46 1HB LYS 46 -6.279 -3.689 -4.448 328 HB3 LYS 46 2HB LYS 46 -5.897 -4.798 -3.138 329 HG2 LYS 46 1HG LYS 46 -8.040 -4.333 -2.092 330 HG3 LYS 46 2HG LYS 46 -8.423 -3.172 -3.366 331 HD2 LYS 46 1HD LYS 46 -9.503 -5.003 -4.195 332 HD3 LYS 46 2HD LYS 46 -7.912 -5.262 -4.913 333 HE2 LYS 46 1HE LYS 46 -7.501 -6.541 -2.630 334 HE3 LYS 46 2HE LYS 46 -9.256 -6.697 -2.682 335 HZ1 LYS 46 1HZ LYS 46 -9.077 -7.727 -4.850 336 HZ2 LYS 46 2HZ LYS 46 -8.146 -8.581 -3.725 337 HZ3 LYS 46 3HZ LYS 46 -7.394 -7.548 -4.834 338 H ILE 47 H ILE 47 -7.005 -1.131 -1.041 339 HA ILE 47 HA ILE 47 -6.401 -2.637 1.387 340 HB ILE 47 HB ILE 47 -7.639 0.094 1.031 341 HG12 ILE 47 1HG1 ILE 47 -4.900 -0.724 2.025 342 HG13 ILE 47 2HG1 ILE 47 -5.242 -0.058 0.432 343 HG21 ILE 47 1HG2 ILE 47 -8.509 -0.806 3.043 344 HG22 ILE 47 2HG2 ILE 47 -6.941 -1.466 3.506 345 HG23 ILE 47 3HG2 ILE 47 -7.197 0.279 3.504 346 HD11 ILE 47 1HD1 ILE 47 -5.340 1.295 3.095 347 HD12 ILE 47 2HD1 ILE 47 -4.455 1.755 1.640 348 HD13 ILE 47 3HD1 ILE 47 -6.207 1.947 1.705 349 H GLN 48 H GLN 48 -8.137 -2.860 3.030 350 HA GLN 48 HA GLN 48 -10.137 -4.497 2.410 351 HB2 GLN 48 1HB GLN 48 -10.216 -2.252 4.422 352 HB3 GLN 48 2HB GLN 48 -11.471 -3.481 4.319 353 HG2 GLN 48 1HG GLN 48 -9.446 -5.127 4.515 354 HG3 GLN 48 2HG GLN 48 -8.647 -3.723 5.221 355 HE21 GLN 48 1HE2 GLN 48 -8.941 -5.896 6.758 356 HE22 GLN 48 2HE2 GLN 48 -10.149 -5.639 7.965 357 H ASP 49 H ASP 49 -11.050 -1.102 2.941 358 HA ASP 49 HA ASP 49 -12.964 -1.371 0.716 359 HB2 ASP 49 1HB ASP 49 -14.411 0.214 1.891 360 HB3 ASP 49 2HB ASP 49 -14.069 -1.184 2.907 361 H ARG 50 H ARG 50 -10.084 -0.264 1.054 362 HA ARG 50 HA ARG 50 -10.620 2.293 -0.308 363 HB2 ARG 50 1HB ARG 50 -8.649 1.621 1.837 364 HB3 ARG 50 2HB ARG 50 -8.216 2.830 0.636 365 HG2 ARG 50 1HG ARG 50 -9.769 4.331 1.380 366 HG3 ARG 50 2HG ARG 50 -10.841 3.077 2.007 367 HD2 ARG 50 1HD ARG 50 -8.165 3.428 3.263 368 HD3 ARG 50 2HD ARG 50 -9.423 4.610 3.618 369 HE ARG 50 HE ARG 50 -9.335 1.845 4.466 370 HH11 ARG 50 2HH1 ARG 50 -11.275 4.704 4.037 371 HH12 ARG 50 1HH1 ARG 50 -12.481 4.215 5.181 372 HH21 ARG 50 2HH2 ARG 50 -10.917 1.191 5.974 373 HH22 ARG 50 1HH2 ARG 50 -12.276 2.217 6.282 374 H ILE 51 H ILE 51 -9.282 2.833 -2.043 375 HA ILE 51 HA ILE 51 -7.205 0.982 -2.872 376 HB ILE 51 HB ILE 51 -9.599 1.490 -4.642 377 HG12 ILE 51 1HG1 ILE 51 -8.660 -1.101 -3.395 378 HG13 ILE 51 2HG1 ILE 51 -9.987 -0.127 -2.771 379 HG21 ILE 51 1HG2 ILE 51 -8.241 -0.476 -5.859 380 HG22 ILE 51 2HG2 ILE 51 -8.000 1.233 -6.216 381 HG23 ILE 51 3HG2 ILE 51 -6.900 0.398 -5.120 382 HD11 ILE 51 1HD1 ILE 51 -10.281 -2.189 -4.478 383 HD12 ILE 51 2HD1 ILE 51 -11.415 -0.845 -4.340 384 HD13 ILE 51 3HD1 ILE 51 -10.191 -0.840 -5.610 385 H GLY 52 H GLY 52 -5.814 1.823 -4.471 386 HA2 GLY 52 1HA GLY 52 -5.909 3.885 -6.134 387 HA3 GLY 52 2HA GLY 52 -5.862 4.739 -4.599 388 H PHE 53 H PHE 53 -3.871 5.545 -5.844 389 HA PHE 53 HA PHE 53 -1.596 3.751 -5.748 390 HB2 PHE 53 1HB PHE 53 -1.601 6.698 -6.412 391 HB3 PHE 53 2HB PHE 53 -0.360 5.514 -6.810 392 HD1 PHE 53 2HD PHE 53 -1.290 3.448 -8.220 393 HD2 PHE 53 1HD PHE 53 -3.036 7.327 -8.079 394 HE1 PHE 53 2HE PHE 53 -2.383 3.031 -10.384 395 HE2 PHE 53 1HE PHE 53 -4.133 6.916 -10.242 396 HZ PHE 53 HZ PHE 53 -3.806 4.766 -11.399 397 H PHE 54 H PHE 54 0.384 4.322 -4.620 398 HA PHE 54 HA PHE 54 0.369 6.280 -2.544 399 HB2 PHE 54 1HB PHE 54 0.513 4.695 -0.643 400 HB3 PHE 54 2HB PHE 54 -1.059 4.657 -1.435 401 HD1 PHE 54 2HD PHE 54 2.149 2.867 -1.076 402 HD2 PHE 54 1HD PHE 54 -1.886 2.682 -2.417 403 HE1 PHE 54 2HE PHE 54 2.362 0.434 -1.369 404 HE2 PHE 54 1HE PHE 54 -1.680 0.248 -2.711 405 HZ PHE 54 HZ PHE 54 0.447 -0.879 -2.189 406 HA PRO 55 HA PRO 55 4.705 5.793 -3.035 407 HB2 PRO 55 1HB PRO 55 5.589 6.717 -0.641 408 HB3 PRO 55 2HB PRO 55 4.926 7.774 -1.893 409 HG2 PRO 55 1HG PRO 55 3.596 6.666 0.549 410 HG3 PRO 55 2HG PRO 55 3.511 8.304 -0.125 411 HD2 PRO 55 1HD PRO 55 1.555 6.470 -0.502 412 HD3 PRO 55 2HD PRO 55 1.953 7.705 -1.714 413 H ALA 56 H ALA 56 6.433 4.455 -2.510 414 HA ALA 56 HA ALA 56 5.746 2.055 -1.073 415 HB1 ALA 56 1HB ALA 56 7.978 2.931 -2.819 416 HB2 ALA 56 2HB ALA 56 8.288 1.612 -1.689 417 HB3 ALA 56 3HB ALA 56 6.995 1.467 -2.881 418 H ASN 57 H ASN 57 7.772 4.871 -0.554 419 HA ASN 57 HA ASN 57 9.300 3.926 1.595 420 HB2 ASN 57 1HB ASN 57 8.445 6.660 0.698 421 HB3 ASN 57 2HB ASN 57 9.317 6.461 2.215 422 HD21 ASN 57 1HD2 ASN 57 11.455 6.361 2.152 423 HD22 ASN 57 2HD2 ASN 57 12.409 6.172 0.724 424 H PHE 58 H PHE 58 5.989 4.849 1.398 425 HA PHE 58 HA PHE 58 5.647 5.366 4.205 426 HB2 PHE 58 1HB PHE 58 3.826 5.154 1.840 427 HB3 PHE 58 2HB PHE 58 3.140 5.064 3.460 428 HD1 PHE 58 2HD PHE 58 5.859 7.139 1.971 429 HD2 PHE 58 1HD PHE 58 2.100 7.045 3.964 430 HE1 PHE 58 2HE PHE 58 5.874 9.596 2.107 431 HE2 PHE 58 1HE PHE 58 2.107 9.501 4.102 432 HZ PHE 58 HZ PHE 58 3.997 10.780 3.174 433 H VAL 59 H VAL 59 5.164 2.645 2.028 434 HA VAL 59 HA VAL 59 4.254 0.994 4.279 435 HB VAL 59 HB VAL 59 3.520 -0.632 2.649 436 HG11 VAL 59 1HG1 VAL 59 2.683 2.163 1.883 437 HG12 VAL 59 2HG1 VAL 59 1.808 0.685 1.477 438 HG13 VAL 59 3HG1 VAL 59 1.980 1.174 3.163 439 HG21 VAL 59 1HG2 VAL 59 5.242 0.932 0.867 440 HG22 VAL 59 2HG2 VAL 59 4.791 -0.771 0.802 441 HG23 VAL 59 3HG2 VAL 59 3.699 0.455 0.159 442 H GLN 60 H GLN 60 5.022 -1.398 4.004 443 HA GLN 60 HA GLN 60 7.819 -1.548 3.177 444 HB2 GLN 60 1HB GLN 60 8.590 -2.402 5.274 445 HB3 GLN 60 2HB GLN 60 7.750 -0.891 5.595 446 HG2 GLN 60 1HG GLN 60 6.035 -1.910 6.690 447 HG3 GLN 60 2HG GLN 60 6.195 -3.410 5.778 448 HE21 GLN 60 1HE2 GLN 60 6.348 -4.840 7.409 449 HE22 GLN 60 2HE2 GLN 60 7.608 -4.845 8.590 450 H ARG 61 H ARG 61 8.529 -3.614 2.659 451 HA ARG 61 HA ARG 61 6.507 -5.442 1.844 452 HB2 ARG 61 1HB ARG 61 8.574 -5.194 0.574 453 HB3 ARG 61 2HB ARG 61 9.512 -5.753 1.953 454 HG2 ARG 61 1HG ARG 61 8.877 -7.941 1.674 455 HG3 ARG 61 2HG ARG 61 7.384 -7.513 0.836 456 HD2 ARG 61 1HD ARG 61 8.672 -8.318 -0.895 457 HD3 ARG 61 2HD ARG 61 8.998 -6.588 -0.986 458 HE ARG 61 HE ARG 61 10.987 -7.419 0.588 459 HH11 ARG 61 2HH1 ARG 61 9.760 -8.680 -2.416 460 HH12 ARG 61 1HH1 ARG 61 11.290 -9.312 -2.927 461 HH21 ARG 61 2HH2 ARG 61 13.007 -8.248 -0.073 462 HH22 ARG 61 1HH2 ARG 61 13.136 -9.067 -1.592 463 H LEU 62 H LEU 62 5.585 -7.029 2.957 464 HA LEU 62 HA LEU 62 6.761 -7.803 5.531 465 HB2 LEU 62 1HB LEU 62 3.989 -7.832 4.417 466 HB3 LEU 62 2HB LEU 62 4.410 -8.914 5.743 467 HG LEU 62 HG LEU 62 4.965 -5.992 6.007 468 HD11 LEU 62 1HD1 LEU 62 2.341 -7.176 5.656 469 HD12 LEU 62 2HD1 LEU 62 2.819 -5.480 5.719 470 HD13 LEU 62 3HD1 LEU 62 2.511 -6.365 7.213 471 HD21 LEU 62 1HD2 LEU 62 4.602 -6.465 8.355 472 HD22 LEU 62 2HD2 LEU 62 5.781 -7.594 7.688 473 HD23 LEU 62 3HD2 LEU 62 4.120 -8.118 7.973 474 H SER 63 H SER 63 7.758 -9.690 5.707 475 HA SER 63 HA SER 63 6.785 -12.078 4.487 476 HB2 SER 63 1HB SER 63 8.139 -10.742 2.669 477 HB3 SER 63 2HB SER 63 9.537 -11.370 3.540 478 HG SER 63 HG SER 63 8.474 -12.644 1.709 479 H GLY 64 H GLY 64 8.375 -13.935 4.875 480 HA2 GLY 64 1HA GLY 64 10.266 -13.485 7.034 481 HA3 GLY 64 2HA GLY 64 8.839 -14.415 7.469 482 HA PRO 65 HA PRO 65 11.985 -17.470 6.104 483 HB2 PRO 65 1HB PRO 65 11.272 -19.340 7.939 484 HB3 PRO 65 2HB PRO 65 12.402 -18.027 8.294 485 HG2 PRO 65 1HG PRO 65 9.485 -18.240 8.932 486 HG3 PRO 65 2HG PRO 65 10.813 -17.654 9.950 487 HD2 PRO 65 1HD PRO 65 9.132 -15.982 8.642 488 HD3 PRO 65 2HD PRO 65 10.834 -15.579 8.945 489 H SER 66 H SER 66 11.539 -19.954 5.770 490 HA SER 66 HA SER 66 8.860 -20.723 5.165 491 HB2 SER 66 1HB SER 66 8.927 -20.747 2.785 492 HB3 SER 66 2HB SER 66 9.460 -19.137 3.267 493 HG SER 66 HG SER 66 10.778 -20.183 1.633 494 H SER 67 H SER 67 8.763 -22.855 5.392 495 HA SER 67 HA SER 67 11.217 -24.387 5.527 496 HB2 SER 67 1HB SER 67 9.298 -24.617 7.173 497 HB3 SER 67 2HB SER 67 8.399 -25.419 5.886 498 HG SER 67 HG SER 67 10.797 -26.541 6.026 499 H GLY 68 H GLY 68 8.099 -24.829 3.838 500 HA2 GLY 68 1HA GLY 68 9.539 -25.708 1.458 501 HA3 GLY 68 2HA GLY 68 8.490 -26.895 2.219 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -9.749 -20.084 -5.286 2 HA2 GLY 1 1HA GLY 1 -9.441 -19.536 -3.063 3 HA3 GLY 1 2HA GLY 1 -8.823 -21.159 -2.792 4 H SER 2 H SER 2 -6.594 -21.590 -3.248 5 HA SER 2 HA SER 2 -4.921 -19.298 -2.650 6 HB2 SER 2 1HB SER 2 -4.765 -21.702 -1.633 7 HB3 SER 2 2HB SER 2 -3.860 -22.071 -3.101 8 HG SER 2 HG SER 2 -2.514 -21.387 -1.360 9 H SER 3 H SER 3 -4.882 -18.102 -4.545 10 HA SER 3 HA SER 3 -3.105 -19.143 -6.599 11 HB2 SER 3 1HB SER 3 -5.897 -18.148 -7.208 12 HB3 SER 3 2HB SER 3 -4.643 -18.382 -8.425 13 HG SER 3 HG SER 3 -5.571 -20.420 -6.683 14 H GLY 4 H GLY 4 -2.705 -17.330 -8.292 15 HA2 GLY 4 1HA GLY 4 -2.642 -14.941 -8.685 16 HA3 GLY 4 2HA GLY 4 -2.727 -14.706 -6.945 17 H SER 5 H SER 5 -0.673 -15.477 -9.646 18 HA SER 5 HA SER 5 1.673 -16.281 -8.551 19 HB2 SER 5 1HB SER 5 1.236 -15.773 -10.984 20 HB3 SER 5 2HB SER 5 1.529 -14.074 -10.614 21 HG SER 5 HG SER 5 3.455 -15.882 -9.759 22 H SER 6 H SER 6 0.718 -12.862 -8.892 23 HA SER 6 HA SER 6 2.796 -12.124 -6.968 24 HB2 SER 6 1HB SER 6 1.100 -10.505 -8.871 25 HB3 SER 6 2HB SER 6 2.129 -9.762 -7.647 26 HG SER 6 HG SER 6 3.907 -10.527 -8.660 27 H GLY 7 H GLY 7 2.164 -12.292 -4.911 28 HA2 GLY 7 1HA GLY 7 -0.286 -10.889 -4.117 29 HA3 GLY 7 2HA GLY 7 -0.111 -12.574 -3.650 30 H ASN 8 H ASN 8 1.959 -9.666 -3.628 31 HA ASN 8 HA ASN 8 3.083 -10.487 -1.080 32 HB2 ASN 8 1HB ASN 8 3.676 -8.124 -2.873 33 HB3 ASN 8 2HB ASN 8 4.533 -8.474 -1.375 34 HD21 ASN 8 1HD2 ASN 8 6.084 -10.017 -1.347 35 HD22 ASN 8 2HD2 ASN 8 6.601 -10.890 -2.745 36 H THR 9 H THR 9 2.872 -9.394 0.848 37 HA THR 9 HA THR 9 0.657 -7.460 0.958 38 HB THR 9 HB THR 9 0.571 -8.084 3.413 39 HG1 THR 9 1HG THR 9 2.526 -9.090 3.724 40 HG21 THR 9 1HG2 THR 9 -0.757 -10.039 3.036 41 HG22 THR 9 2HG2 THR 9 0.085 -10.387 1.526 42 HG23 THR 9 3HG2 THR 9 -0.968 -8.978 1.644 43 H TYR 10 H TYR 10 0.945 -5.478 1.832 44 HA TYR 10 HA TYR 10 3.558 -4.886 3.054 45 HB2 TYR 10 1HB TYR 10 2.058 -3.266 0.993 46 HB3 TYR 10 2HB TYR 10 3.386 -2.618 1.948 47 HD1 TYR 10 2HD TYR 10 2.661 -5.611 -0.178 48 HD2 TYR 10 1HD TYR 10 5.471 -2.630 0.971 49 HE1 TYR 10 2HE TYR 10 4.265 -6.499 -1.818 50 HE2 TYR 10 1HE TYR 10 7.082 -3.508 -0.667 51 HH TYR 10 HH TYR 10 7.558 -5.488 -1.902 52 H VAL 11 H VAL 11 3.548 -3.578 4.821 53 HA VAL 11 HA VAL 11 0.905 -2.829 5.864 54 HB VAL 11 HB VAL 11 2.201 -4.328 7.299 55 HG11 VAL 11 1HG1 VAL 11 4.441 -3.636 6.573 56 HG12 VAL 11 2HG1 VAL 11 4.232 -2.100 7.416 57 HG13 VAL 11 3HG1 VAL 11 4.283 -3.609 8.329 58 HG21 VAL 11 1HG2 VAL 11 0.699 -2.466 8.191 59 HG22 VAL 11 2HG2 VAL 11 1.838 -3.196 9.322 60 HG23 VAL 11 3HG2 VAL 11 2.192 -1.624 8.606 61 H ALA 12 H ALA 12 0.349 -0.759 6.039 62 HA ALA 12 HA ALA 12 2.037 1.315 5.091 63 HB1 ALA 12 1HB ALA 12 0.086 2.341 4.861 64 HB2 ALA 12 2HB ALA 12 -0.705 1.002 5.694 65 HB3 ALA 12 3HB ALA 12 -0.120 2.390 6.612 66 H LEU 13 H LEU 13 3.677 2.193 6.156 67 HA LEU 13 HA LEU 13 4.109 1.852 8.933 68 HB2 LEU 13 1HB LEU 13 5.403 3.859 7.097 69 HB3 LEU 13 2HB LEU 13 6.029 3.282 8.640 70 HG LEU 13 HG LEU 13 5.675 1.555 6.192 71 HD11 LEU 13 1HD1 LEU 13 8.252 2.647 7.292 72 HD12 LEU 13 2HD1 LEU 13 7.370 3.407 5.967 73 HD13 LEU 13 3HD1 LEU 13 7.995 1.768 5.784 74 HD21 LEU 13 1HD2 LEU 13 5.610 0.204 8.132 75 HD22 LEU 13 2HD2 LEU 13 6.918 1.109 8.896 76 HD23 LEU 13 3HD2 LEU 13 7.252 0.081 7.501 77 H TYR 14 H TYR 14 3.013 4.604 6.987 78 HA TYR 14 HA TYR 14 1.975 5.824 9.452 79 HB2 TYR 14 1HB TYR 14 3.038 7.563 7.256 80 HB3 TYR 14 2HB TYR 14 2.829 7.930 8.965 81 HD1 TYR 14 2HD TYR 14 4.471 7.119 10.617 82 HD2 TYR 14 1HD TYR 14 5.047 6.536 6.442 83 HE1 TYR 14 2HE TYR 14 6.846 6.620 11.020 84 HE2 TYR 14 1HE TYR 14 7.423 6.035 6.834 85 HH TYR 14 HH TYR 14 8.906 6.487 9.955 86 H LYS 15 H LYS 15 0.343 7.572 8.940 87 HA LYS 15 HA LYS 15 -1.625 6.478 7.161 88 HB2 LYS 15 1HB LYS 15 -2.546 7.372 9.112 89 HB3 LYS 15 2HB LYS 15 -1.537 8.811 9.045 90 HG2 LYS 15 1HG LYS 15 -2.819 9.645 7.156 91 HG3 LYS 15 2HG LYS 15 -3.810 8.185 7.170 92 HD2 LYS 15 1HD LYS 15 -4.594 8.739 9.422 93 HD3 LYS 15 2HD LYS 15 -3.600 10.198 9.410 94 HE2 LYS 15 1HE LYS 15 -4.941 11.255 7.851 95 HE3 LYS 15 2HE LYS 15 -5.591 9.739 7.230 96 HZ1 LYS 15 1HZ LYS 15 -6.527 9.618 9.678 97 HZ2 LYS 15 2HZ LYS 15 -7.356 10.430 8.447 98 HZ3 LYS 15 3HZ LYS 15 -6.419 11.302 9.553 99 H PHE 16 H PHE 16 -2.217 7.159 5.178 100 HA PHE 16 HA PHE 16 -0.671 9.374 4.015 101 HB2 PHE 16 1HB PHE 16 -0.449 7.070 3.005 102 HB3 PHE 16 2HB PHE 16 -2.137 7.195 2.521 103 HD1 PHE 16 2HD PHE 16 -2.823 8.791 0.804 104 HD2 PHE 16 1HD PHE 16 1.267 8.295 1.875 105 HE1 PHE 16 2HE PHE 16 -2.146 9.954 -1.255 106 HE2 PHE 16 1HE PHE 16 1.950 9.458 -0.183 107 HZ PHE 16 HZ PHE 16 0.243 10.288 -1.752 108 H VAL 17 H VAL 17 -1.673 11.050 2.986 109 HA VAL 17 HA VAL 17 -4.610 11.138 3.211 110 HB VAL 17 HB VAL 17 -2.656 13.443 3.225 111 HG11 VAL 17 1HG1 VAL 17 -4.366 14.876 3.024 112 HG12 VAL 17 2HG1 VAL 17 -5.250 13.497 2.365 113 HG13 VAL 17 3HG1 VAL 17 -5.414 13.919 4.071 114 HG21 VAL 17 1HG2 VAL 17 -2.491 13.125 5.416 115 HG22 VAL 17 2HG2 VAL 17 -4.237 13.322 5.572 116 HG23 VAL 17 3HG2 VAL 17 -3.551 11.719 5.307 117 HA PRO 18 HA PRO 18 -3.963 11.122 -1.304 118 HB2 PRO 18 1HB PRO 18 -6.419 10.106 -1.855 119 HB3 PRO 18 2HB PRO 18 -5.043 9.096 -1.398 120 HG2 PRO 18 1HG PRO 18 -7.313 10.079 0.288 121 HG3 PRO 18 2HG PRO 18 -6.566 8.471 0.243 122 HD2 PRO 18 1HD PRO 18 -5.988 10.293 2.161 123 HD3 PRO 18 2HD PRO 18 -4.796 9.118 1.570 124 H GLN 19 H GLN 19 -4.026 13.247 -1.862 125 HA GLN 19 HA GLN 19 -6.024 15.086 -1.224 126 HB2 GLN 19 1HB GLN 19 -3.907 14.974 -3.339 127 HB3 GLN 19 2HB GLN 19 -5.103 16.263 -3.374 128 HG2 GLN 19 1HG GLN 19 -4.436 16.681 -0.936 129 HG3 GLN 19 2HG GLN 19 -3.025 15.688 -1.299 130 HE21 GLN 19 1HE2 GLN 19 -3.402 18.594 -0.666 131 HE22 GLN 19 2HE2 GLN 19 -2.571 19.426 -1.932 132 H GLU 20 H GLU 20 -5.694 12.921 -3.987 133 HA GLU 20 HA GLU 20 -8.476 13.547 -4.708 134 HB2 GLU 20 1HB GLU 20 -6.108 13.255 -6.552 135 HB3 GLU 20 2HB GLU 20 -7.766 13.109 -7.115 136 HG2 GLU 20 1HG GLU 20 -6.721 15.532 -5.680 137 HG3 GLU 20 2HG GLU 20 -6.702 15.355 -7.433 138 H ASN 21 H ASN 21 -9.575 11.822 -5.880 139 HA ASN 21 HA ASN 21 -9.591 9.404 -4.670 140 HB2 ASN 21 1HB ASN 21 -11.293 10.119 -6.292 141 HB3 ASN 21 2HB ASN 21 -10.144 9.884 -7.607 142 HD21 ASN 21 1HD2 ASN 21 -12.172 8.333 -5.255 143 HD22 ASN 21 2HD2 ASN 21 -12.101 6.748 -5.941 144 H GLU 22 H GLU 22 -7.712 10.203 -7.581 145 HA GLU 22 HA GLU 22 -6.592 7.871 -8.297 146 HB2 GLU 22 1HB GLU 22 -5.180 10.517 -7.946 147 HB3 GLU 22 2HB GLU 22 -4.469 9.140 -8.776 148 HG2 GLU 22 1HG GLU 22 -5.320 10.412 -10.504 149 HG3 GLU 22 2HG GLU 22 -6.578 9.205 -10.244 150 H ASP 23 H ASP 23 -5.445 9.854 -5.578 151 HA ASP 23 HA ASP 23 -3.408 8.051 -4.782 152 HB2 ASP 23 1HB ASP 23 -4.829 10.268 -3.301 153 HB3 ASP 23 2HB ASP 23 -3.480 9.360 -2.624 154 H LEU 24 H LEU 24 -3.375 6.944 -2.643 155 HA LEU 24 HA LEU 24 -5.999 5.747 -2.041 156 HB2 LEU 24 1HB LEU 24 -4.894 3.982 -3.006 157 HB3 LEU 24 2HB LEU 24 -3.316 4.522 -2.436 158 HG LEU 24 HG LEU 24 -3.895 3.748 -0.170 159 HD11 LEU 24 1HD1 LEU 24 -6.481 3.881 -0.984 160 HD12 LEU 24 2HD1 LEU 24 -5.919 3.002 0.437 161 HD13 LEU 24 3HD1 LEU 24 -6.175 2.147 -1.084 162 HD21 LEU 24 1HD2 LEU 24 -3.509 2.096 -2.514 163 HD22 LEU 24 2HD2 LEU 24 -4.351 1.224 -1.233 164 HD23 LEU 24 3HD2 LEU 24 -2.784 1.968 -0.911 165 H GLU 25 H GLU 25 -6.647 5.766 0.026 166 HA GLU 25 HA GLU 25 -4.957 7.080 1.980 167 HB2 GLU 25 1HB GLU 25 -7.560 7.331 1.549 168 HB3 GLU 25 2HB GLU 25 -7.644 5.984 2.675 169 HG2 GLU 25 1HG GLU 25 -6.629 7.240 4.401 170 HG3 GLU 25 2HG GLU 25 -6.167 8.525 3.286 171 H MET 26 H MET 26 -3.972 6.148 3.683 172 HA MET 26 HA MET 26 -4.624 3.387 4.386 173 HB2 MET 26 1HB MET 26 -1.995 3.118 4.553 174 HB3 MET 26 2HB MET 26 -2.857 2.790 3.056 175 HG2 MET 26 1HG MET 26 -2.340 5.119 2.336 176 HG3 MET 26 2HG MET 26 -1.329 5.277 3.770 177 HE1 MET 26 1HE MET 26 0.876 5.538 3.276 178 HE2 MET 26 2HE MET 26 1.860 4.719 2.063 179 HE3 MET 26 3HE MET 26 0.656 5.909 1.566 180 H ARG 27 H ARG 27 -3.747 2.732 6.466 181 HA ARG 27 HA ARG 27 -3.079 5.017 8.201 182 HB2 ARG 27 1HB ARG 27 -4.980 2.734 8.730 183 HB3 ARG 27 2HB ARG 27 -4.351 3.768 10.006 184 HG2 ARG 27 1HG ARG 27 -5.869 4.804 7.626 185 HG3 ARG 27 2HG ARG 27 -6.623 4.377 9.164 186 HD2 ARG 27 1HD ARG 27 -5.343 6.046 10.320 187 HD3 ARG 27 2HD ARG 27 -4.393 6.383 8.873 188 HE ARG 27 HE ARG 27 -6.048 7.794 8.200 189 HH11 ARG 27 2HH1 ARG 27 -7.391 5.525 10.474 190 HH12 ARG 27 1HH1 ARG 27 -8.952 6.277 10.501 191 HH21 ARG 27 2HH2 ARG 27 -8.098 8.793 8.228 192 HH22 ARG 27 1HH2 ARG 27 -9.353 8.136 9.223 193 HA PRO 28 HA PRO 28 0.359 2.713 9.662 194 HB2 PRO 28 1HB PRO 28 0.493 3.530 12.247 195 HB3 PRO 28 2HB PRO 28 0.934 4.569 10.887 196 HG2 PRO 28 1HG PRO 28 -1.613 4.484 12.458 197 HG3 PRO 28 2HG PRO 28 -0.690 5.891 11.897 198 HD2 PRO 28 1HD PRO 28 -2.905 4.999 10.621 199 HD3 PRO 28 2HD PRO 28 -1.553 5.764 9.764 200 H GLY 29 H GLY 29 -0.441 0.579 9.530 201 HA2 GLY 29 1HA GLY 29 -0.273 -1.310 11.169 202 HA3 GLY 29 2HA GLY 29 -1.536 -0.478 12.064 203 H ASP 30 H ASP 30 -1.751 -0.375 8.640 204 HA ASP 30 HA ASP 30 -3.984 -2.286 8.754 205 HB2 ASP 30 1HB ASP 30 -3.486 0.208 7.210 206 HB3 ASP 30 2HB ASP 30 -4.405 -1.065 6.412 207 H ILE 31 H ILE 31 -4.392 -3.437 6.622 208 HA ILE 31 HA ILE 31 -1.823 -4.461 5.615 209 HB ILE 31 HB ILE 31 -4.526 -5.807 5.688 210 HG12 ILE 31 1HG1 ILE 31 -3.357 -5.618 7.876 211 HG13 ILE 31 2HG1 ILE 31 -3.537 -7.283 7.337 212 HG21 ILE 31 1HG2 ILE 31 -1.893 -6.651 4.521 213 HG22 ILE 31 2HG2 ILE 31 -3.121 -7.823 4.995 214 HG23 ILE 31 3HG2 ILE 31 -3.481 -6.622 3.755 215 HD11 ILE 31 1HD1 ILE 31 -1.370 -7.549 7.669 216 HD12 ILE 31 2HD1 ILE 31 -1.071 -6.426 6.342 217 HD13 ILE 31 3HD1 ILE 31 -1.162 -5.829 7.998 218 H ILE 32 H ILE 32 -1.298 -4.048 3.578 219 HA ILE 32 HA ILE 32 -3.444 -3.302 1.699 220 HB ILE 32 HB ILE 32 -0.576 -2.353 1.719 221 HG12 ILE 32 1HG1 ILE 32 -2.962 -0.564 1.963 222 HG13 ILE 32 2HG1 ILE 32 -2.413 -1.447 3.384 223 HG21 ILE 32 1HG2 ILE 32 -2.487 -2.507 -0.398 224 HG22 ILE 32 2HG2 ILE 32 -2.178 -0.814 -0.015 225 HG23 ILE 32 3HG2 ILE 32 -0.838 -1.882 -0.433 226 HD11 ILE 32 1HD1 ILE 32 -1.213 0.843 1.998 227 HD12 ILE 32 2HD1 ILE 32 -1.148 0.374 3.697 228 HD13 ILE 32 3HD1 ILE 32 -0.082 -0.403 2.527 229 H THR 33 H THR 33 -3.454 -4.194 -0.326 230 HA THR 33 HA THR 33 -1.672 -6.492 -0.707 231 HB THR 33 HB THR 33 -4.242 -5.814 -2.151 232 HG1 THR 33 1HG THR 33 -4.884 -7.774 -0.858 233 HG21 THR 33 1HG2 THR 33 -2.149 -7.742 -2.666 234 HG22 THR 33 2HG2 THR 33 -3.561 -7.333 -3.639 235 HG23 THR 33 3HG2 THR 33 -3.692 -8.540 -2.360 236 H LEU 34 H LEU 34 0.088 -6.062 -1.867 237 HA LEU 34 HA LEU 34 0.389 -3.871 -3.604 238 HB2 LEU 34 1HB LEU 34 2.199 -5.209 -2.447 239 HB3 LEU 34 2HB LEU 34 1.986 -6.418 -3.712 240 HG LEU 34 HG LEU 34 2.503 -4.497 -5.345 241 HD11 LEU 34 1HD1 LEU 34 4.246 -2.995 -3.936 242 HD12 LEU 34 2HD1 LEU 34 2.977 -3.228 -2.735 243 HD13 LEU 34 3HD1 LEU 34 2.590 -2.509 -4.297 244 HD21 LEU 34 1HD2 LEU 34 4.145 -6.310 -3.880 245 HD22 LEU 34 2HD2 LEU 34 5.043 -4.817 -4.152 246 HD23 LEU 34 3HD2 LEU 34 4.359 -5.698 -5.520 247 H LEU 35 H LEU 35 -0.966 -3.675 -5.297 248 HA LEU 35 HA LEU 35 -1.698 -5.951 -6.917 249 HB2 LEU 35 1HB LEU 35 -2.274 -3.025 -7.351 250 HB3 LEU 35 2HB LEU 35 -3.047 -4.378 -8.175 251 HG LEU 35 HG LEU 35 -3.261 -3.973 -5.202 252 HD11 LEU 35 1HD1 LEU 35 -5.600 -3.232 -6.751 253 HD12 LEU 35 2HD1 LEU 35 -4.220 -2.181 -7.069 254 HD13 LEU 35 3HD1 LEU 35 -4.809 -2.388 -5.419 255 HD21 LEU 35 1HD2 LEU 35 -4.179 -5.998 -5.404 256 HD22 LEU 35 2HD2 LEU 35 -4.273 -5.877 -7.162 257 HD23 LEU 35 3HD2 LEU 35 -5.541 -5.171 -6.160 258 H GLU 36 H GLU 36 0.002 -2.871 -7.500 259 HA GLU 36 HA GLU 36 1.440 -4.202 -9.700 260 HB2 GLU 36 1HB GLU 36 -0.337 -2.402 -10.303 261 HB3 GLU 36 2HB GLU 36 0.863 -1.257 -9.722 262 HG2 GLU 36 1HG GLU 36 1.367 -1.289 -11.941 263 HG3 GLU 36 2HG GLU 36 2.444 -2.556 -11.356 264 H ASP 37 H ASP 37 3.610 -3.973 -9.742 265 HA ASP 37 HA ASP 37 4.840 -2.059 -7.879 266 HB2 ASP 37 1HB ASP 37 6.520 -3.758 -7.267 267 HB3 ASP 37 2HB ASP 37 4.892 -4.252 -6.809 268 H SER 38 H SER 38 4.397 -2.075 -10.808 269 HA SER 38 HA SER 38 6.788 -2.658 -12.175 270 HB2 SER 38 1HB SER 38 4.432 -0.886 -12.766 271 HB3 SER 38 2HB SER 38 5.835 -0.897 -13.835 272 HG SER 38 HG SER 38 5.064 -2.659 -14.652 273 H ASN 39 H ASN 39 5.508 0.515 -11.155 274 HA ASN 39 HA ASN 39 7.742 2.031 -11.795 275 HB2 ASN 39 1HB ASN 39 5.337 2.683 -10.895 276 HB3 ASN 39 2HB ASN 39 6.179 2.732 -9.349 277 HD21 ASN 39 1HD2 ASN 39 5.518 5.009 -9.485 278 HD22 ASN 39 2HD2 ASN 39 6.556 6.115 -10.312 279 H GLU 40 H GLU 40 8.779 3.349 -9.740 280 HA GLU 40 HA GLU 40 9.978 1.298 -7.999 281 HB2 GLU 40 1HB GLU 40 11.357 3.568 -9.436 282 HB3 GLU 40 2HB GLU 40 12.103 2.643 -8.141 283 HG2 GLU 40 1HG GLU 40 11.922 0.611 -9.453 284 HG3 GLU 40 2HG GLU 40 11.110 1.499 -10.742 285 H ASP 41 H ASP 41 9.223 4.725 -8.429 286 HA ASP 41 HA ASP 41 9.873 5.494 -5.773 287 HB2 ASP 41 1HB ASP 41 8.119 6.805 -7.858 288 HB3 ASP 41 2HB ASP 41 8.553 7.553 -6.323 289 H TRP 42 H TRP 42 6.650 5.420 -7.298 290 HA TRP 42 HA TRP 42 5.539 4.683 -4.672 291 HB2 TRP 42 1HB TRP 42 4.327 6.218 -6.974 292 HB3 TRP 42 2HB TRP 42 3.382 5.620 -5.613 293 HD1 TRP 42 HD TRP 42 6.861 7.259 -5.300 294 HE1 TRP 42 1HE TRP 42 6.619 9.390 -3.878 295 HE3 TRP 42 3HE TRP 42 1.774 7.322 -4.790 296 HZ2 TRP 42 2HZ TRP 42 4.547 10.898 -2.695 297 HZ3 TRP 42 3HZ TRP 42 0.741 9.143 -3.497 298 HH2 TRP 42 HH TRP 42 2.101 10.893 -2.472 299 H TRP 43 H TRP 43 3.799 3.171 -4.604 300 HA TRP 43 HA TRP 43 3.655 1.411 -6.964 301 HB2 TRP 43 1HB TRP 43 3.818 0.654 -4.044 302 HB3 TRP 43 2HB TRP 43 3.352 -0.477 -5.311 303 HD1 TRP 43 HD TRP 43 5.594 0.647 -7.437 304 HE1 TRP 43 1HE TRP 43 8.034 -0.092 -7.083 305 HE3 TRP 43 3HE TRP 43 5.329 -0.694 -2.511 306 HZ2 TRP 43 2HZ TRP 43 9.634 -1.109 -4.993 307 HZ3 TRP 43 3HZ TRP 43 7.360 -1.542 -1.409 308 HH2 TRP 43 HH TRP 43 9.466 -1.745 -2.626 309 H LYS 44 H LYS 44 1.702 -0.178 -6.647 310 HA LYS 44 HA LYS 44 -0.612 1.417 -5.759 311 HB2 LYS 44 1HB LYS 44 -0.550 1.300 -8.188 312 HB3 LYS 44 2HB LYS 44 -0.405 -0.451 -8.127 313 HG2 LYS 44 1HG LYS 44 -2.637 -0.559 -7.070 314 HG3 LYS 44 2HG LYS 44 -2.779 1.189 -7.268 315 HD2 LYS 44 1HD LYS 44 -2.344 0.771 -9.748 316 HD3 LYS 44 2HD LYS 44 -2.643 -0.933 -9.395 317 HE2 LYS 44 1HE LYS 44 -4.867 -0.500 -8.725 318 HE3 LYS 44 2HE LYS 44 -4.586 1.239 -8.651 319 HZ1 LYS 44 1HZ LYS 44 -4.949 1.465 -10.830 320 HZ2 LYS 44 2HZ LYS 44 -5.698 -0.048 -10.733 321 HZ3 LYS 44 3HZ LYS 44 -4.088 0.068 -11.239 322 H GLY 45 H GLY 45 -1.970 0.484 -4.353 323 HA2 GLY 45 1HA GLY 45 -1.884 -2.446 -4.058 324 HA3 GLY 45 2HA GLY 45 -1.683 -1.419 -2.646 325 H LYS 46 H LYS 46 -3.616 -2.999 -2.213 326 HA LYS 46 HA LYS 46 -6.062 -1.469 -2.787 327 HB2 LYS 46 1HB LYS 46 -5.950 -3.543 -4.176 328 HB3 LYS 46 2HB LYS 46 -5.902 -4.487 -2.693 329 HG2 LYS 46 1HG LYS 46 -8.104 -3.180 -2.150 330 HG3 LYS 46 2HG LYS 46 -8.155 -2.964 -3.902 331 HD2 LYS 46 1HD LYS 46 -7.664 -5.561 -3.880 332 HD3 LYS 46 2HD LYS 46 -8.397 -5.448 -2.278 333 HE2 LYS 46 1HE LYS 46 -10.351 -4.319 -3.319 334 HE3 LYS 46 2HE LYS 46 -9.626 -4.605 -4.900 335 HZ1 LYS 46 1HZ LYS 46 -9.620 -7.031 -4.247 336 HZ2 LYS 46 2HZ LYS 46 -11.132 -6.348 -4.570 337 HZ3 LYS 46 3HZ LYS 46 -10.645 -6.604 -2.971 338 H ILE 47 H ILE 47 -7.682 -1.560 -1.168 339 HA ILE 47 HA ILE 47 -6.938 -2.800 1.376 340 HB ILE 47 HB ILE 47 -7.805 0.086 1.218 341 HG12 ILE 47 1HG1 ILE 47 -5.049 -1.085 1.653 342 HG13 ILE 47 2HG1 ILE 47 -5.569 -0.117 0.277 343 HG21 ILE 47 1HG2 ILE 47 -6.934 0.017 3.616 344 HG22 ILE 47 2HG2 ILE 47 -8.468 -0.787 3.288 345 HG23 ILE 47 3HG2 ILE 47 -6.993 -1.738 3.458 346 HD11 ILE 47 1HD1 ILE 47 -4.855 0.711 3.023 347 HD12 ILE 47 2HD1 ILE 47 -4.530 1.493 1.476 348 HD13 ILE 47 3HD1 ILE 47 -6.130 1.614 2.206 349 H GLN 48 H GLN 48 -8.750 -2.726 2.964 350 HA GLN 48 HA GLN 48 -10.961 -3.994 2.325 351 HB2 GLN 48 1HB GLN 48 -10.776 -1.633 4.191 352 HB3 GLN 48 2HB GLN 48 -12.222 -2.626 4.067 353 HG2 GLN 48 1HG GLN 48 -10.597 -4.595 4.524 354 HG3 GLN 48 2HG GLN 48 -9.530 -3.333 5.138 355 HE21 GLN 48 1HE2 GLN 48 -12.479 -5.084 5.620 356 HE22 GLN 48 2HE2 GLN 48 -12.790 -4.528 7.226 357 H ASP 49 H ASP 49 -11.202 -0.440 2.469 358 HA ASP 49 HA ASP 49 -12.922 -0.540 0.085 359 HB2 ASP 49 1HB ASP 49 -14.370 1.187 1.092 360 HB3 ASP 49 2HB ASP 49 -14.373 -0.303 2.030 361 H ARG 50 H ARG 50 -10.051 0.248 0.769 362 HA ARG 50 HA ARG 50 -10.161 2.922 -0.463 363 HB2 ARG 50 1HB ARG 50 -8.412 1.897 1.755 364 HB3 ARG 50 2HB ARG 50 -7.881 3.227 0.735 365 HG2 ARG 50 1HG ARG 50 -9.407 4.683 1.594 366 HG3 ARG 50 2HG ARG 50 -10.574 3.412 1.965 367 HD2 ARG 50 1HD ARG 50 -7.976 3.539 3.437 368 HD3 ARG 50 2HD ARG 50 -9.300 4.610 3.893 369 HE ARG 50 HE ARG 50 -9.996 1.811 3.703 370 HH11 ARG 50 2HH1 ARG 50 -8.901 4.404 5.751 371 HH12 ARG 50 1HH1 ARG 50 -9.419 3.640 7.217 372 HH21 ARG 50 2HH2 ARG 50 -10.683 0.794 5.626 373 HH22 ARG 50 1HH2 ARG 50 -10.432 1.586 7.145 374 H ILE 51 H ILE 51 -9.306 2.955 -2.426 375 HA ILE 51 HA ILE 51 -7.002 1.234 -3.012 376 HB ILE 51 HB ILE 51 -9.451 1.498 -4.759 377 HG12 ILE 51 1HG1 ILE 51 -9.196 -1.109 -4.510 378 HG13 ILE 51 2HG1 ILE 51 -8.302 -0.682 -3.055 379 HG21 ILE 51 1HG2 ILE 51 -7.756 1.468 -6.320 380 HG22 ILE 51 2HG2 ILE 51 -6.697 0.486 -5.308 381 HG23 ILE 51 3HG2 ILE 51 -8.078 -0.254 -6.118 382 HD11 ILE 51 1HD1 ILE 51 -11.180 -0.161 -3.698 383 HD12 ILE 51 2HD1 ILE 51 -10.491 -1.052 -2.340 384 HD13 ILE 51 3HD1 ILE 51 -10.335 0.703 -2.413 385 H GLY 52 H GLY 52 -5.551 2.047 -4.521 386 HA2 GLY 52 1HA GLY 52 -5.770 4.017 -6.358 387 HA3 GLY 52 2HA GLY 52 -5.639 4.917 -4.855 388 H PHE 53 H PHE 53 -3.659 5.833 -5.271 389 HA PHE 53 HA PHE 53 -1.399 3.964 -5.549 390 HB2 PHE 53 1HB PHE 53 -1.423 6.894 -6.289 391 HB3 PHE 53 2HB PHE 53 -0.160 5.719 -6.641 392 HD1 PHE 53 2HD PHE 53 -0.827 3.720 -8.130 393 HD2 PHE 53 1HD PHE 53 -3.071 7.326 -7.850 394 HE1 PHE 53 2HE PHE 53 -1.894 3.220 -10.290 395 HE2 PHE 53 1HE PHE 53 -4.142 6.831 -10.009 396 HZ PHE 53 HZ PHE 53 -3.553 4.776 -11.233 397 H PHE 54 H PHE 54 0.618 4.628 -4.486 398 HA PHE 54 HA PHE 54 0.599 6.604 -2.436 399 HB2 PHE 54 1HB PHE 54 0.786 5.055 -0.508 400 HB3 PHE 54 2HB PHE 54 -0.797 4.993 -1.276 401 HD1 PHE 54 2HD PHE 54 2.429 3.231 -0.940 402 HD2 PHE 54 1HD PHE 54 -1.628 2.994 -2.203 403 HE1 PHE 54 2HE PHE 54 2.654 0.794 -1.193 404 HE2 PHE 54 1HE PHE 54 -1.410 0.556 -2.458 405 HZ PHE 54 HZ PHE 54 0.733 -0.547 -1.954 406 HA PRO 55 HA PRO 55 4.937 6.152 -2.930 407 HB2 PRO 55 1HB PRO 55 5.831 7.046 -0.528 408 HB3 PRO 55 2HB PRO 55 5.152 8.117 -1.759 409 HG2 PRO 55 1HG PRO 55 3.847 6.961 0.675 410 HG3 PRO 55 2HG PRO 55 3.746 8.609 0.027 411 HD2 PRO 55 1HD PRO 55 1.800 6.767 -0.365 412 HD3 PRO 55 2HD PRO 55 2.181 8.023 -1.560 413 H ALA 56 H ALA 56 6.637 4.774 -2.496 414 HA ALA 56 HA ALA 56 5.995 2.352 -1.104 415 HB1 ALA 56 1HB ALA 56 7.297 1.806 -2.874 416 HB2 ALA 56 2HB ALA 56 8.209 3.315 -2.812 417 HB3 ALA 56 3HB ALA 56 8.581 2.012 -1.682 418 H ASN 57 H ASN 57 7.943 5.191 -0.450 419 HA ASN 57 HA ASN 57 9.460 4.208 1.690 420 HB2 ASN 57 1HB ASN 57 8.435 7.033 1.338 421 HB3 ASN 57 2HB ASN 57 9.826 6.531 2.294 422 HD21 ASN 57 1HD2 ASN 57 9.462 8.331 -0.083 423 HD22 ASN 57 2HD2 ASN 57 10.637 7.779 -1.224 424 H PHE 58 H PHE 58 6.134 5.125 1.477 425 HA PHE 58 HA PHE 58 5.727 5.513 4.286 426 HB2 PHE 58 1HB PHE 58 3.978 5.354 1.873 427 HB3 PHE 58 2HB PHE 58 3.240 5.118 3.454 428 HD1 PHE 58 2HD PHE 58 5.905 7.418 2.218 429 HD2 PHE 58 1HD PHE 58 2.087 7.007 4.054 430 HE1 PHE 58 2HE PHE 58 5.794 9.856 2.524 431 HE2 PHE 58 1HE PHE 58 1.969 9.446 4.362 432 HZ PHE 58 HZ PHE 58 3.824 10.873 3.598 433 H VAL 59 H VAL 59 5.506 2.825 2.057 434 HA VAL 59 HA VAL 59 4.509 1.090 4.206 435 HB VAL 59 HB VAL 59 3.997 -0.546 2.496 436 HG11 VAL 59 1HG1 VAL 59 3.033 2.133 1.518 437 HG12 VAL 59 2HG1 VAL 59 2.208 0.577 1.405 438 HG13 VAL 59 3HG1 VAL 59 2.421 1.352 2.976 439 HG21 VAL 59 1HG2 VAL 59 5.407 1.381 0.672 440 HG22 VAL 59 2HG2 VAL 59 5.740 -0.332 0.930 441 HG23 VAL 59 3HG2 VAL 59 4.285 0.163 0.065 442 H GLN 60 H GLN 60 5.469 -1.088 4.369 443 HA GLN 60 HA GLN 60 8.277 -1.215 3.536 444 HB2 GLN 60 1HB GLN 60 8.277 -0.348 5.822 445 HB3 GLN 60 2HB GLN 60 7.284 -1.701 6.350 446 HG2 GLN 60 1HG GLN 60 9.091 -3.246 5.780 447 HG3 GLN 60 2HG GLN 60 10.086 -1.884 5.267 448 HE21 GLN 60 1HE2 GLN 60 11.662 -2.432 6.797 449 HE22 GLN 60 2HE2 GLN 60 11.447 -2.096 8.478 450 H ARG 61 H ARG 61 8.445 -2.994 2.353 451 HA ARG 61 HA ARG 61 6.750 -5.030 1.959 452 HB2 ARG 61 1HB ARG 61 8.942 -4.741 0.815 453 HB3 ARG 61 2HB ARG 61 9.734 -5.428 2.227 454 HG2 ARG 61 1HG ARG 61 7.582 -6.971 0.856 455 HG3 ARG 61 2HG ARG 61 9.203 -6.916 0.159 456 HD2 ARG 61 1HD ARG 61 10.106 -7.690 2.338 457 HD3 ARG 61 2HD ARG 61 8.451 -7.859 2.923 458 HE ARG 61 HE ARG 61 8.230 -9.778 1.675 459 HH11 ARG 61 2HH1 ARG 61 11.141 -8.104 0.756 460 HH12 ARG 61 1HH1 ARG 61 11.746 -9.414 -0.204 461 HH21 ARG 61 2HH2 ARG 61 9.016 -11.509 0.414 462 HH22 ARG 61 1HH2 ARG 61 10.536 -11.349 -0.399 463 H LEU 62 H LEU 62 6.074 -6.882 2.924 464 HA LEU 62 HA LEU 62 6.981 -7.321 5.687 465 HB2 LEU 62 1HB LEU 62 4.391 -7.924 4.288 466 HB3 LEU 62 2HB LEU 62 4.805 -8.630 5.849 467 HG LEU 62 HG LEU 62 4.579 -5.669 5.318 468 HD11 LEU 62 1HD1 LEU 62 2.379 -5.998 5.349 469 HD12 LEU 62 2HD1 LEU 62 2.564 -6.423 7.050 470 HD13 LEU 62 3HD1 LEU 62 2.559 -7.688 5.821 471 HD21 LEU 62 1HD2 LEU 62 5.057 -7.322 7.780 472 HD22 LEU 62 2HD2 LEU 62 4.424 -5.678 7.861 473 HD23 LEU 62 3HD2 LEU 62 6.012 -5.978 7.152 474 H SER 63 H SER 63 8.036 -9.127 6.188 475 HA SER 63 HA SER 63 7.963 -11.361 4.265 476 HB2 SER 63 1HB SER 63 10.267 -11.785 4.633 477 HB3 SER 63 2HB SER 63 10.147 -10.037 4.432 478 HG SER 63 HG SER 63 11.443 -10.739 6.250 479 H GLY 64 H GLY 64 7.507 -13.344 5.035 480 HA2 GLY 64 1HA GLY 64 7.895 -14.047 7.798 481 HA3 GLY 64 2HA GLY 64 6.204 -13.805 7.384 482 HA PRO 65 HA PRO 65 7.486 -18.222 6.496 483 HB2 PRO 65 1HB PRO 65 5.603 -19.379 8.073 484 HB3 PRO 65 2HB PRO 65 7.199 -18.909 8.670 485 HG2 PRO 65 1HG PRO 65 4.585 -17.472 8.917 486 HG3 PRO 65 2HG PRO 65 5.849 -17.714 10.137 487 HD2 PRO 65 1HD PRO 65 5.573 -15.396 8.765 488 HD3 PRO 65 2HD PRO 65 7.150 -16.000 9.311 489 H SER 66 H SER 66 5.025 -16.126 5.867 490 HA SER 66 HA SER 66 2.766 -17.360 5.140 491 HB2 SER 66 1HB SER 66 2.472 -15.764 3.388 492 HB3 SER 66 2HB SER 66 3.433 -14.965 4.633 493 HG SER 66 HG SER 66 4.832 -14.631 3.114 494 H SER 67 H SER 67 2.215 -19.110 4.036 495 HA SER 67 HA SER 67 3.802 -20.963 2.916 496 HB2 SER 67 1HB SER 67 1.903 -21.770 1.636 497 HB3 SER 67 2HB SER 67 1.334 -21.174 3.195 498 HG SER 67 HG SER 67 1.385 -19.433 0.997 499 H GLY 68 H GLY 68 2.863 -17.941 1.439 500 HA2 GLY 68 1HA GLY 68 4.969 -18.153 -0.495 501 HA3 GLY 68 2HA GLY 68 3.380 -18.334 -1.224 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -17.556 -14.669 -2.483 2 HA2 GLY 1 1HA GLY 1 -15.901 -13.641 -4.681 3 HA3 GLY 1 2HA GLY 1 -15.700 -12.948 -3.079 4 H SER 2 H SER 2 -13.505 -13.979 -4.149 5 HA SER 2 HA SER 2 -13.054 -16.726 -3.801 6 HB2 SER 2 1HB SER 2 -11.115 -14.405 -3.661 7 HB3 SER 2 2HB SER 2 -10.638 -16.101 -3.741 8 HG SER 2 HG SER 2 -11.315 -14.460 -5.740 9 H SER 3 H SER 3 -11.686 -17.753 -2.162 10 HA SER 3 HA SER 3 -12.143 -16.589 0.508 11 HB2 SER 3 1HB SER 3 -13.512 -18.560 0.238 12 HB3 SER 3 2HB SER 3 -12.135 -19.490 -0.352 13 HG SER 3 HG SER 3 -12.449 -18.402 2.252 14 H GLY 4 H GLY 4 -10.080 -15.525 0.338 15 HA2 GLY 4 1HA GLY 4 -8.013 -15.975 1.680 16 HA3 GLY 4 2HA GLY 4 -7.799 -17.379 0.645 17 H SER 5 H SER 5 -5.913 -15.270 1.032 18 HA SER 5 HA SER 5 -5.626 -14.432 -1.754 19 HB2 SER 5 1HB SER 5 -6.635 -12.607 -0.116 20 HB3 SER 5 2HB SER 5 -4.943 -12.413 0.340 21 HG SER 5 HG SER 5 -4.778 -12.407 -2.178 22 H SER 6 H SER 6 -3.461 -13.951 -2.370 23 HA SER 6 HA SER 6 -1.324 -14.373 -0.468 24 HB2 SER 6 1HB SER 6 -1.704 -16.296 -2.777 25 HB3 SER 6 2HB SER 6 -0.325 -16.265 -1.679 26 HG SER 6 HG SER 6 -1.461 -17.490 -0.424 27 H GLY 7 H GLY 7 0.823 -14.057 -1.459 28 HA2 GLY 7 1HA GLY 7 1.881 -13.428 -3.682 29 HA3 GLY 7 2HA GLY 7 0.614 -12.212 -3.754 30 H ASN 8 H ASN 8 1.794 -10.372 -3.661 31 HA ASN 8 HA ASN 8 3.806 -10.084 -1.560 32 HB2 ASN 8 1HB ASN 8 3.104 -8.378 -3.953 33 HB3 ASN 8 2HB ASN 8 4.290 -7.902 -2.741 34 HD21 ASN 8 1HD2 ASN 8 3.498 -10.768 -4.684 35 HD22 ASN 8 2HD2 ASN 8 5.126 -11.107 -5.152 36 H THR 9 H THR 9 3.332 -9.139 0.302 37 HA THR 9 HA THR 9 1.030 -7.299 0.401 38 HB THR 9 HB THR 9 1.178 -8.036 2.963 39 HG1 THR 9 1HG THR 9 2.512 -9.673 3.133 40 HG21 THR 9 1HG2 THR 9 -0.876 -8.251 1.870 41 HG22 THR 9 2HG2 THR 9 -0.479 -9.908 2.325 42 HG23 THR 9 3HG2 THR 9 -0.226 -9.364 0.667 43 H TYR 10 H TYR 10 1.159 -5.542 1.898 44 HA TYR 10 HA TYR 10 3.766 -4.944 3.050 45 HB2 TYR 10 1HB TYR 10 2.446 -3.258 0.924 46 HB3 TYR 10 2HB TYR 10 3.682 -2.629 2.008 47 HD1 TYR 10 2HD TYR 10 3.051 -5.244 -0.555 48 HD2 TYR 10 1HD TYR 10 5.957 -2.942 1.532 49 HE1 TYR 10 2HE TYR 10 4.797 -6.088 -2.067 50 HE2 TYR 10 1HE TYR 10 7.711 -3.779 0.025 51 HH TYR 10 HH TYR 10 7.213 -6.395 -2.100 52 H VAL 11 H VAL 11 3.696 -3.501 4.759 53 HA VAL 11 HA VAL 11 0.989 -2.739 5.642 54 HB VAL 11 HB VAL 11 2.172 -4.417 7.071 55 HG11 VAL 11 1HG1 VAL 11 4.032 -3.717 8.448 56 HG12 VAL 11 2HG1 VAL 11 4.447 -3.515 6.745 57 HG13 VAL 11 3HG1 VAL 11 4.006 -2.112 7.719 58 HG21 VAL 11 1HG2 VAL 11 0.410 -2.935 7.947 59 HG22 VAL 11 2HG2 VAL 11 1.608 -3.348 9.174 60 HG23 VAL 11 3HG2 VAL 11 1.644 -1.761 8.404 61 H ALA 12 H ALA 12 0.574 -0.664 6.188 62 HA ALA 12 HA ALA 12 2.386 1.364 5.342 63 HB1 ALA 12 1HB ALA 12 0.423 2.382 5.124 64 HB2 ALA 12 2HB ALA 12 -0.376 1.197 6.158 65 HB3 ALA 12 3HB ALA 12 0.417 2.600 6.874 66 H LEU 13 H LEU 13 3.337 3.024 6.610 67 HA LEU 13 HA LEU 13 3.927 2.180 9.368 68 HB2 LEU 13 1HB LEU 13 5.586 4.025 7.668 69 HB3 LEU 13 2HB LEU 13 6.043 3.246 9.181 70 HG LEU 13 HG LEU 13 5.443 1.630 6.725 71 HD11 LEU 13 1HD1 LEU 13 7.175 3.388 6.237 72 HD12 LEU 13 2HD1 LEU 13 7.711 1.719 6.047 73 HD13 LEU 13 3HD1 LEU 13 8.176 2.637 7.479 74 HD21 LEU 13 1HD2 LEU 13 7.359 1.052 8.964 75 HD22 LEU 13 2HD2 LEU 13 6.638 -0.071 7.810 76 HD23 LEU 13 3HD2 LEU 13 5.644 0.654 9.075 77 H TYR 14 H TYR 14 2.969 4.858 7.324 78 HA TYR 14 HA TYR 14 2.257 6.368 9.745 79 HB2 TYR 14 1HB TYR 14 3.118 7.843 7.292 80 HB3 TYR 14 2HB TYR 14 3.175 8.348 8.977 81 HD1 TYR 14 2HD TYR 14 5.001 7.591 10.439 82 HD2 TYR 14 1HD TYR 14 4.923 6.599 6.302 83 HE1 TYR 14 2HE TYR 14 7.378 6.972 10.549 84 HE2 TYR 14 1HE TYR 14 7.300 5.977 6.401 85 HH TYR 14 HH TYR 14 9.008 5.715 9.402 86 H LYS 15 H LYS 15 0.621 8.088 9.291 87 HA LYS 15 HA LYS 15 -1.535 6.954 7.759 88 HB2 LYS 15 1HB LYS 15 -2.124 7.950 9.844 89 HB3 LYS 15 2HB LYS 15 -1.282 9.442 9.446 90 HG2 LYS 15 1HG LYS 15 -2.925 9.992 7.785 91 HG3 LYS 15 2HG LYS 15 -3.719 8.430 7.997 92 HD2 LYS 15 1HD LYS 15 -4.433 9.000 10.194 93 HD3 LYS 15 2HD LYS 15 -3.413 10.440 10.220 94 HE2 LYS 15 1HE LYS 15 -5.413 11.415 9.726 95 HE3 LYS 15 2HE LYS 15 -4.861 11.055 8.091 96 HZ1 LYS 15 1HZ LYS 15 -6.958 10.200 8.032 97 HZ2 LYS 15 2HZ LYS 15 -6.969 9.766 9.666 98 HZ3 LYS 15 3HZ LYS 15 -6.118 8.825 8.547 99 H PHE 16 H PHE 16 -1.742 7.250 5.648 100 HA PHE 16 HA PHE 16 -0.622 9.668 4.425 101 HB2 PHE 16 1HB PHE 16 0.069 7.425 3.551 102 HB3 PHE 16 2HB PHE 16 -1.599 7.155 3.056 103 HD1 PHE 16 2HD PHE 16 -2.608 8.610 1.306 104 HD2 PHE 16 1HD PHE 16 1.539 8.733 2.255 105 HE1 PHE 16 2HE PHE 16 -2.155 9.739 -0.832 106 HE2 PHE 16 1HE PHE 16 1.999 9.863 0.118 107 HZ PHE 16 HZ PHE 16 0.150 10.366 -1.429 108 H VAL 17 H VAL 17 -1.833 10.981 3.056 109 HA VAL 17 HA VAL 17 -4.744 10.531 3.076 110 HB VAL 17 HB VAL 17 -3.372 13.195 3.465 111 HG11 VAL 17 1HG1 VAL 17 -5.986 13.560 4.115 112 HG12 VAL 17 2HG1 VAL 17 -5.277 13.953 2.547 113 HG13 VAL 17 3HG1 VAL 17 -6.116 12.418 2.778 114 HG21 VAL 17 1HG2 VAL 17 -4.865 12.891 5.664 115 HG22 VAL 17 2HG2 VAL 17 -4.493 11.198 5.339 116 HG23 VAL 17 3HG2 VAL 17 -3.186 12.360 5.566 117 HA PRO 18 HA PRO 18 -4.018 10.970 -1.310 118 HB2 PRO 18 1HB PRO 18 -6.588 10.498 -2.046 119 HB3 PRO 18 2HB PRO 18 -5.471 9.211 -1.576 120 HG2 PRO 18 1HG PRO 18 -7.600 10.555 0.043 121 HG3 PRO 18 2HG PRO 18 -7.188 8.833 -0.054 122 HD2 PRO 18 1HD PRO 18 -6.380 10.412 1.992 123 HD3 PRO 18 2HD PRO 18 -5.411 9.048 1.398 124 H GLN 19 H GLN 19 -3.648 13.054 -1.850 125 HA GLN 19 HA GLN 19 -5.303 15.232 -1.190 126 HB2 GLN 19 1HB GLN 19 -2.806 15.129 -1.996 127 HB3 GLN 19 2HB GLN 19 -3.521 15.302 -3.594 128 HG2 GLN 19 1HG GLN 19 -4.665 17.357 -2.789 129 HG3 GLN 19 2HG GLN 19 -3.767 17.206 -1.280 130 HE21 GLN 19 1HE2 GLN 19 -3.622 18.019 -4.635 131 HE22 GLN 19 2HE2 GLN 19 -2.022 18.671 -4.626 132 H GLU 20 H GLU 20 -5.013 13.308 -4.154 133 HA GLU 20 HA GLU 20 -7.394 14.670 -5.212 134 HB2 GLU 20 1HB GLU 20 -6.692 13.571 -7.390 135 HB3 GLU 20 2HB GLU 20 -5.630 14.832 -6.779 136 HG2 GLU 20 1HG GLU 20 -4.138 13.113 -5.864 137 HG3 GLU 20 2HG GLU 20 -5.191 11.865 -6.529 138 H ASN 21 H ASN 21 -8.568 13.027 -6.837 139 HA ASN 21 HA ASN 21 -9.554 10.909 -5.116 140 HB2 ASN 21 1HB ASN 21 -10.497 12.181 -7.664 141 HB3 ASN 21 2HB ASN 21 -11.148 10.619 -7.174 142 HD21 ASN 21 1HD2 ASN 21 -12.815 12.731 -7.425 143 HD22 ASN 21 2HD2 ASN 21 -13.360 13.253 -5.871 144 H GLU 22 H GLU 22 -6.898 10.601 -6.185 145 HA GLU 22 HA GLU 22 -7.316 8.144 -7.750 146 HB2 GLU 22 1HB GLU 22 -4.942 9.972 -8.100 147 HB3 GLU 22 2HB GLU 22 -5.389 8.589 -9.090 148 HG2 GLU 22 1HG GLU 22 -7.535 9.922 -9.591 149 HG3 GLU 22 2HG GLU 22 -6.629 11.306 -8.982 150 H ASP 23 H ASP 23 -5.521 9.855 -5.300 151 HA ASP 23 HA ASP 23 -3.567 7.863 -4.801 152 HB2 ASP 23 1HB ASP 23 -4.605 10.228 -3.279 153 HB3 ASP 23 2HB ASP 23 -3.537 9.077 -2.480 154 H LEU 24 H LEU 24 -3.412 6.642 -2.730 155 HA LEU 24 HA LEU 24 -6.033 5.484 -2.060 156 HB2 LEU 24 1HB LEU 24 -4.875 3.712 -2.913 157 HB3 LEU 24 2HB LEU 24 -3.314 4.343 -2.393 158 HG LEU 24 HG LEU 24 -3.836 3.654 -0.082 159 HD11 LEU 24 1HD1 LEU 24 -5.821 2.859 0.579 160 HD12 LEU 24 2HD1 LEU 24 -6.034 1.895 -0.882 161 HD13 LEU 24 3HD1 LEU 24 -6.434 3.612 -0.893 162 HD21 LEU 24 1HD2 LEU 24 -2.636 1.908 -0.767 163 HD22 LEU 24 2HD2 LEU 24 -3.403 1.908 -2.355 164 HD23 LEU 24 3HD2 LEU 24 -4.166 1.064 -1.007 165 H GLU 25 H GLU 25 -6.788 5.806 -0.079 166 HA GLU 25 HA GLU 25 -5.181 7.129 1.903 167 HB2 GLU 25 1HB GLU 25 -7.765 7.314 1.381 168 HB3 GLU 25 2HB GLU 25 -7.869 5.991 2.533 169 HG2 GLU 25 1HG GLU 25 -7.123 7.286 4.293 170 HG3 GLU 25 2HG GLU 25 -6.355 8.466 3.232 171 H MET 26 H MET 26 -4.044 6.223 3.487 172 HA MET 26 HA MET 26 -4.754 3.544 4.424 173 HB2 MET 26 1HB MET 26 -2.190 3.103 4.463 174 HB3 MET 26 2HB MET 26 -3.079 2.885 2.962 175 HG2 MET 26 1HG MET 26 -2.375 5.145 2.261 176 HG3 MET 26 2HG MET 26 -1.410 5.266 3.730 177 HE1 MET 26 1HE MET 26 0.863 5.741 1.940 178 HE2 MET 26 2HE MET 26 0.841 5.153 3.602 179 HE3 MET 26 3HE MET 26 1.851 4.353 2.397 180 H ARG 27 H ARG 27 -3.607 2.974 6.460 181 HA ARG 27 HA ARG 27 -2.853 5.356 8.014 182 HB2 ARG 27 1HB ARG 27 -4.958 3.331 8.578 183 HB3 ARG 27 2HB ARG 27 -4.009 3.910 9.940 184 HG2 ARG 27 1HG ARG 27 -4.661 6.190 9.474 185 HG3 ARG 27 2HG ARG 27 -5.534 5.669 8.032 186 HD2 ARG 27 1HD ARG 27 -6.894 4.185 9.593 187 HD3 ARG 27 2HD ARG 27 -6.181 5.110 10.913 188 HE ARG 27 HE ARG 27 -7.575 6.847 10.397 189 HH11 ARG 27 2HH1 ARG 27 -7.477 4.634 7.710 190 HH12 ARG 27 1HH1 ARG 27 -8.739 5.437 6.835 191 HH21 ARG 27 2HH2 ARG 27 -9.237 7.912 9.254 192 HH22 ARG 27 1HH2 ARG 27 -9.739 7.301 7.713 193 HA PRO 28 HA PRO 28 0.586 3.086 9.518 194 HB2 PRO 28 1HB PRO 28 0.723 3.861 12.116 195 HB3 PRO 28 2HB PRO 28 1.141 4.930 10.772 196 HG2 PRO 28 1HG PRO 28 -1.396 4.780 12.354 197 HG3 PRO 28 2HG PRO 28 -0.498 6.210 11.813 198 HD2 PRO 28 1HD PRO 28 -2.706 5.306 10.533 199 HD3 PRO 28 2HD PRO 28 -1.369 6.106 9.681 200 H GLY 29 H GLY 29 -0.372 0.971 9.299 201 HA2 GLY 29 1HA GLY 29 -0.092 -0.919 11.017 202 HA3 GLY 29 2HA GLY 29 -1.465 -0.146 11.796 203 H ASP 30 H ASP 30 -1.904 0.297 8.577 204 HA ASP 30 HA ASP 30 -3.847 -1.866 8.460 205 HB2 ASP 30 1HB ASP 30 -3.403 0.677 6.969 206 HB3 ASP 30 2HB ASP 30 -4.259 -0.622 6.144 207 H ILE 31 H ILE 31 -4.050 -3.193 6.519 208 HA ILE 31 HA ILE 31 -1.402 -3.909 5.462 209 HB ILE 31 HB ILE 31 -3.920 -5.575 5.541 210 HG12 ILE 31 1HG1 ILE 31 -2.780 -5.046 7.759 211 HG13 ILE 31 2HG1 ILE 31 -2.984 -6.751 7.374 212 HG21 ILE 31 1HG2 ILE 31 -2.752 -6.450 3.761 213 HG22 ILE 31 2HG2 ILE 31 -1.183 -6.034 4.449 214 HG23 ILE 31 3HG2 ILE 31 -2.099 -7.394 5.100 215 HD11 ILE 31 1HD1 ILE 31 -0.618 -6.716 6.518 216 HD12 ILE 31 2HD1 ILE 31 -0.475 -5.114 7.242 217 HD13 ILE 31 3HD1 ILE 31 -0.817 -6.513 8.258 218 H ILE 32 H ILE 32 -0.954 -3.602 3.382 219 HA ILE 32 HA ILE 32 -3.190 -3.032 1.548 220 HB ILE 32 HB ILE 32 -0.353 -2.002 1.467 221 HG12 ILE 32 1HG1 ILE 32 -1.852 0.199 1.458 222 HG13 ILE 32 2HG1 ILE 32 -2.990 -0.867 2.274 223 HG21 ILE 32 1HG2 ILE 32 -2.541 -1.980 -0.554 224 HG22 ILE 32 2HG2 ILE 32 -1.460 -0.592 -0.447 225 HG23 ILE 32 3HG2 ILE 32 -0.805 -2.196 -0.774 226 HD11 ILE 32 1HD1 ILE 32 -0.330 -1.071 3.390 227 HD12 ILE 32 2HD1 ILE 32 -0.956 0.578 3.444 228 HD13 ILE 32 3HD1 ILE 32 -1.870 -0.737 4.181 229 H THR 33 H THR 33 -3.385 -4.196 -0.277 230 HA THR 33 HA THR 33 -1.559 -6.434 -0.650 231 HB THR 33 HB THR 33 -4.181 -5.791 -2.014 232 HG1 THR 33 1HG THR 33 -3.496 -7.700 -0.007 233 HG21 THR 33 1HG2 THR 33 -2.119 -7.508 -2.859 234 HG22 THR 33 2HG2 THR 33 -3.769 -7.423 -3.475 235 HG23 THR 33 3HG2 THR 33 -3.370 -8.543 -2.173 236 H LEU 34 H LEU 34 0.219 -5.956 -1.787 237 HA LEU 34 HA LEU 34 0.466 -3.904 -3.678 238 HB2 LEU 34 1HB LEU 34 2.286 -5.195 -2.427 239 HB3 LEU 34 2HB LEU 34 2.125 -6.407 -3.696 240 HG LEU 34 HG LEU 34 2.642 -4.523 -5.335 241 HD11 LEU 34 1HD1 LEU 34 3.187 -3.176 -2.722 242 HD12 LEU 34 2HD1 LEU 34 2.380 -2.550 -4.159 243 HD13 LEU 34 3HD1 LEU 34 4.130 -2.763 -4.154 244 HD21 LEU 34 1HD2 LEU 34 5.026 -4.868 -3.634 245 HD22 LEU 34 2HD2 LEU 34 4.793 -5.203 -5.350 246 HD23 LEU 34 3HD2 LEU 34 4.214 -6.350 -4.140 247 H LEU 35 H LEU 35 -0.459 -3.743 -5.602 248 HA LEU 35 HA LEU 35 -1.137 -6.202 -7.063 249 HB2 LEU 35 1HB LEU 35 -2.225 -3.404 -7.325 250 HB3 LEU 35 2HB LEU 35 -2.696 -4.765 -8.340 251 HG LEU 35 HG LEU 35 -3.141 -4.600 -5.360 252 HD11 LEU 35 1HD1 LEU 35 -4.898 -3.327 -5.812 253 HD12 LEU 35 2HD1 LEU 35 -5.570 -4.653 -6.760 254 HD13 LEU 35 3HD1 LEU 35 -4.578 -3.424 -7.544 255 HD21 LEU 35 1HD2 LEU 35 -2.886 -6.882 -6.324 256 HD22 LEU 35 2HD2 LEU 35 -4.255 -6.540 -7.381 257 HD23 LEU 35 3HD2 LEU 35 -4.477 -6.569 -5.631 258 H GLU 36 H GLU 36 0.122 -2.914 -7.577 259 HA GLU 36 HA GLU 36 1.504 -3.923 -9.977 260 HB2 GLU 36 1HB GLU 36 -0.330 -2.087 -10.181 261 HB3 GLU 36 2HB GLU 36 0.904 -1.017 -9.530 262 HG2 GLU 36 1HG GLU 36 1.270 -0.717 -11.749 263 HG3 GLU 36 2HG GLU 36 2.356 -2.074 -11.455 264 H ASP 37 H ASP 37 3.662 -3.724 -10.083 265 HA ASP 37 HA ASP 37 5.012 -2.013 -8.110 266 HB2 ASP 37 1HB ASP 37 6.603 -3.719 -7.576 267 HB3 ASP 37 2HB ASP 37 5.001 -4.429 -7.398 268 H SER 38 H SER 38 4.460 -1.470 -10.856 269 HA SER 38 HA SER 38 6.856 -1.971 -12.373 270 HB2 SER 38 1HB SER 38 4.353 -0.374 -12.887 271 HB3 SER 38 2HB SER 38 5.726 -0.321 -13.992 272 HG SER 38 HG SER 38 5.428 -2.808 -13.706 273 H ASN 39 H ASN 39 5.455 0.715 -10.580 274 HA ASN 39 HA ASN 39 7.820 2.348 -11.182 275 HB2 ASN 39 1HB ASN 39 5.297 3.261 -9.797 276 HB3 ASN 39 2HB ASN 39 6.550 4.262 -10.527 277 HD21 ASN 39 1HD2 ASN 39 6.119 5.034 -12.456 278 HD22 ASN 39 2HD2 ASN 39 4.993 4.377 -13.589 279 H GLU 40 H GLU 40 9.293 1.398 -9.771 280 HA GLU 40 HA GLU 40 9.057 0.560 -7.218 281 HB2 GLU 40 1HB GLU 40 11.288 2.288 -8.303 282 HB3 GLU 40 2HB GLU 40 11.381 1.337 -6.827 283 HG2 GLU 40 1HG GLU 40 10.668 -0.024 -9.375 284 HG3 GLU 40 2HG GLU 40 12.346 0.431 -9.083 285 H ASP 41 H ASP 41 9.127 3.914 -8.280 286 HA ASP 41 HA ASP 41 9.345 5.139 -5.766 287 HB2 ASP 41 1HB ASP 41 7.919 6.162 -8.232 288 HB3 ASP 41 2HB ASP 41 8.433 7.139 -6.860 289 H TRP 42 H TRP 42 6.402 4.654 -7.728 290 HA TRP 42 HA TRP 42 4.851 4.708 -5.222 291 HB2 TRP 42 1HB TRP 42 4.001 5.494 -8.017 292 HB3 TRP 42 2HB TRP 42 2.930 5.443 -6.619 293 HD1 TRP 42 HD TRP 42 6.033 7.364 -7.892 294 HE1 TRP 42 1HE TRP 42 6.041 9.689 -6.789 295 HE3 TRP 42 3HE TRP 42 2.046 6.784 -4.746 296 HZ2 TRP 42 2HZ TRP 42 4.555 11.092 -4.843 297 HZ3 TRP 42 3HZ TRP 42 1.404 8.666 -3.296 298 HH2 TRP 42 HH TRP 42 2.634 10.774 -3.344 299 H TRP 43 H TRP 43 3.625 2.992 -4.717 300 HA TRP 43 HA TRP 43 3.386 0.852 -6.731 301 HB2 TRP 43 1HB TRP 43 3.855 0.736 -3.762 302 HB3 TRP 43 2HB TRP 43 3.166 -0.637 -4.624 303 HD1 TRP 43 HD TRP 43 5.241 0.273 -7.217 304 HE1 TRP 43 1HE TRP 43 7.621 -0.696 -7.074 305 HE3 TRP 43 3HE TRP 43 5.321 -0.956 -2.255 306 HZ2 TRP 43 2HZ TRP 43 9.309 -1.832 -5.117 307 HZ3 TRP 43 3HZ TRP 43 7.356 -1.980 -1.326 308 HH2 TRP 43 HH TRP 43 9.307 -2.409 -2.730 309 H LYS 44 H LYS 44 1.421 -0.056 -7.092 310 HA LYS 44 HA LYS 44 -0.869 1.265 -5.837 311 HB2 LYS 44 1HB LYS 44 -0.643 1.131 -8.345 312 HB3 LYS 44 2HB LYS 44 -0.872 -0.607 -8.207 313 HG2 LYS 44 1HG LYS 44 -3.005 0.042 -8.663 314 HG3 LYS 44 2HG LYS 44 -3.037 0.115 -6.899 315 HD2 LYS 44 1HD LYS 44 -2.821 2.463 -6.892 316 HD3 LYS 44 2HD LYS 44 -2.345 2.503 -8.591 317 HE2 LYS 44 1HE LYS 44 -5.042 1.526 -7.689 318 HE3 LYS 44 2HE LYS 44 -4.721 3.223 -8.044 319 HZ1 LYS 44 1HZ LYS 44 -5.099 2.765 -10.162 320 HZ2 LYS 44 2HZ LYS 44 -5.259 1.113 -9.839 321 HZ3 LYS 44 3HZ LYS 44 -3.736 1.764 -10.183 322 H GLY 45 H GLY 45 -2.360 0.218 -4.615 323 HA2 GLY 45 1HA GLY 45 -2.225 -2.704 -4.420 324 HA3 GLY 45 2HA GLY 45 -1.981 -1.767 -2.954 325 H LYS 46 H LYS 46 -3.986 -3.559 -2.959 326 HA LYS 46 HA LYS 46 -6.404 -1.898 -3.247 327 HB2 LYS 46 1HB LYS 46 -6.595 -3.687 -4.806 328 HB3 LYS 46 2HB LYS 46 -6.029 -4.865 -3.629 329 HG2 LYS 46 1HG LYS 46 -8.068 -4.633 -2.357 330 HG3 LYS 46 2HG LYS 46 -8.629 -3.356 -3.439 331 HD2 LYS 46 1HD LYS 46 -7.969 -6.128 -4.407 332 HD3 LYS 46 2HD LYS 46 -9.577 -5.680 -3.831 333 HE2 LYS 46 1HE LYS 46 -9.822 -4.051 -5.552 334 HE3 LYS 46 2HE LYS 46 -8.129 -4.204 -6.021 335 HZ1 LYS 46 1HZ LYS 46 -10.348 -6.093 -6.482 336 HZ2 LYS 46 2HZ LYS 46 -8.743 -6.625 -6.507 337 HZ3 LYS 46 3HZ LYS 46 -9.259 -5.443 -7.601 338 H ILE 47 H ILE 47 -7.148 -1.263 -1.342 339 HA ILE 47 HA ILE 47 -6.572 -2.863 1.039 340 HB ILE 47 HB ILE 47 -7.740 -0.084 0.844 341 HG12 ILE 47 1HG1 ILE 47 -4.927 -1.062 1.346 342 HG13 ILE 47 2HG1 ILE 47 -5.482 -0.018 0.043 343 HG21 ILE 47 1HG2 ILE 47 -8.442 -0.986 2.894 344 HG22 ILE 47 2HG2 ILE 47 -6.899 -1.794 3.163 345 HG23 ILE 47 3HG2 ILE 47 -7.007 -0.038 3.284 346 HD11 ILE 47 1HD1 ILE 47 -4.553 1.536 1.404 347 HD12 ILE 47 2HD1 ILE 47 -6.185 1.520 2.074 348 HD13 ILE 47 3HD1 ILE 47 -4.894 0.621 2.872 349 H GLN 48 H GLN 48 -8.304 -3.054 2.690 350 HA GLN 48 HA GLN 48 -10.393 -4.562 2.028 351 HB2 GLN 48 1HB GLN 48 -10.400 -2.380 4.116 352 HB3 GLN 48 2HB GLN 48 -11.635 -3.626 4.002 353 HG2 GLN 48 1HG GLN 48 -9.551 -5.229 4.101 354 HG3 GLN 48 2HG GLN 48 -8.804 -3.831 4.874 355 HE21 GLN 48 1HE2 GLN 48 -9.149 -3.521 6.968 356 HE22 GLN 48 2HE2 GLN 48 -10.317 -4.356 7.927 357 H ASP 49 H ASP 49 -10.993 -1.094 2.592 358 HA ASP 49 HA ASP 49 -12.973 -1.184 0.411 359 HB2 ASP 49 1HB ASP 49 -13.745 -0.944 2.924 360 HB3 ASP 49 2HB ASP 49 -13.280 0.738 2.681 361 H ARG 50 H ARG 50 -10.043 -0.255 0.782 362 HA ARG 50 HA ARG 50 -10.439 2.396 -0.441 363 HB2 ARG 50 1HB ARG 50 -8.572 1.517 1.701 364 HB3 ARG 50 2HB ARG 50 -7.958 2.664 0.517 365 HG2 ARG 50 1HG ARG 50 -8.753 4.081 2.124 366 HG3 ARG 50 2HG ARG 50 -10.161 3.958 1.068 367 HD2 ARG 50 1HD ARG 50 -10.980 2.104 2.560 368 HD3 ARG 50 2HD ARG 50 -9.674 2.521 3.669 369 HE ARG 50 HE ARG 50 -11.211 4.812 3.036 370 HH11 ARG 50 2HH1 ARG 50 -11.302 1.876 4.905 371 HH12 ARG 50 1HH1 ARG 50 -12.387 2.514 6.096 372 HH21 ARG 50 2HH2 ARG 50 -12.639 5.663 4.598 373 HH22 ARG 50 1HH2 ARG 50 -13.147 4.668 5.920 374 H ILE 51 H ILE 51 -9.161 2.916 -2.201 375 HA ILE 51 HA ILE 51 -7.168 1.012 -3.130 376 HB ILE 51 HB ILE 51 -9.331 1.795 -5.058 377 HG12 ILE 51 1HG1 ILE 51 -9.299 -0.576 -3.186 378 HG13 ILE 51 2HG1 ILE 51 -10.548 0.656 -3.337 379 HG21 ILE 51 1HG2 ILE 51 -7.200 0.963 -5.936 380 HG22 ILE 51 2HG2 ILE 51 -7.390 -0.512 -4.989 381 HG23 ILE 51 3HG2 ILE 51 -8.527 -0.145 -6.287 382 HD11 ILE 51 1HD1 ILE 51 -11.570 -0.919 -4.560 383 HD12 ILE 51 2HD1 ILE 51 -10.522 -0.321 -5.846 384 HD13 ILE 51 3HD1 ILE 51 -10.065 -1.758 -4.933 385 H GLY 52 H GLY 52 -5.749 1.855 -4.701 386 HA2 GLY 52 1HA GLY 52 -5.692 3.942 -6.291 387 HA3 GLY 52 2HA GLY 52 -5.712 4.784 -4.748 388 H PHE 53 H PHE 53 -3.646 5.571 -5.870 389 HA PHE 53 HA PHE 53 -1.407 3.740 -5.694 390 HB2 PHE 53 1HB PHE 53 -1.350 6.704 -6.282 391 HB3 PHE 53 2HB PHE 53 -0.087 5.527 -6.624 392 HD1 PHE 53 2HD PHE 53 -0.307 3.968 -8.475 393 HD2 PHE 53 1HD PHE 53 -3.291 6.898 -7.684 394 HE1 PHE 53 2HE PHE 53 -1.256 3.600 -10.715 395 HE2 PHE 53 1HE PHE 53 -4.246 6.534 -9.923 396 HZ PHE 53 HZ PHE 53 -3.228 4.885 -11.442 397 H PHE 54 H PHE 54 0.548 4.315 -4.479 398 HA PHE 54 HA PHE 54 0.374 6.170 -2.306 399 HB2 PHE 54 1HB PHE 54 0.422 4.587 -0.475 400 HB3 PHE 54 2HB PHE 54 -1.014 4.291 -1.450 401 HD1 PHE 54 1HD PHE 54 -1.211 2.289 -2.802 402 HD2 PHE 54 2HD PHE 54 2.225 2.993 -0.390 403 HE1 PHE 54 1HE PHE 54 -0.561 -0.072 -3.045 404 HE2 PHE 54 2HE PHE 54 2.881 0.634 -0.630 405 HZ PHE 54 HZ PHE 54 1.488 -0.902 -1.959 406 HA PRO 55 HA PRO 55 4.741 5.936 -2.742 407 HB2 PRO 55 1HB PRO 55 5.510 6.894 -0.321 408 HB3 PRO 55 2HB PRO 55 4.823 7.920 -1.585 409 HG2 PRO 55 1HG PRO 55 3.493 6.726 0.817 410 HG3 PRO 55 2HG PRO 55 3.336 8.360 0.147 411 HD2 PRO 55 1HD PRO 55 1.494 6.424 -0.288 412 HD3 PRO 55 2HD PRO 55 1.854 7.685 -1.484 413 H ALA 56 H ALA 56 6.170 4.326 -2.566 414 HA ALA 56 HA ALA 56 5.669 2.085 -0.878 415 HB1 ALA 56 1HB ALA 56 8.159 1.609 -1.778 416 HB2 ALA 56 2HB ALA 56 6.703 1.312 -2.729 417 HB3 ALA 56 3HB ALA 56 7.625 2.797 -2.967 418 H ASN 57 H ASN 57 7.175 5.040 -0.330 419 HA ASN 57 HA ASN 57 9.122 4.067 1.581 420 HB2 ASN 57 1HB ASN 57 9.459 6.109 0.114 421 HB3 ASN 57 2HB ASN 57 8.278 6.931 1.129 422 HD21 ASN 57 1HD2 ASN 57 11.465 6.529 0.631 423 HD22 ASN 57 2HD2 ASN 57 12.066 6.869 2.214 424 H PHE 58 H PHE 58 5.841 4.595 1.610 425 HA PHE 58 HA PHE 58 5.730 5.476 4.391 426 HB2 PHE 58 1HB PHE 58 3.759 5.269 2.161 427 HB3 PHE 58 2HB PHE 58 3.156 5.184 3.812 428 HD1 PHE 58 2HD PHE 58 5.600 7.248 1.883 429 HD2 PHE 58 1HD PHE 58 2.398 7.154 4.686 430 HE1 PHE 58 2HE PHE 58 5.657 9.703 2.026 431 HE2 PHE 58 1HE PHE 58 2.449 9.609 4.832 432 HZ PHE 58 HZ PHE 58 4.081 10.887 3.502 433 H VAL 59 H VAL 59 5.418 2.628 2.460 434 HA VAL 59 HA VAL 59 4.356 1.124 4.753 435 HB VAL 59 HB VAL 59 3.674 -0.588 3.252 436 HG11 VAL 59 1HG1 VAL 59 2.320 0.743 1.544 437 HG12 VAL 59 2HG1 VAL 59 2.071 1.124 3.249 438 HG13 VAL 59 3HG1 VAL 59 3.071 2.176 2.247 439 HG21 VAL 59 1HG2 VAL 59 4.798 -1.085 1.403 440 HG22 VAL 59 2HG2 VAL 59 4.375 0.472 0.692 441 HG23 VAL 59 3HG2 VAL 59 5.830 0.319 1.677 442 H GLN 60 H GLN 60 5.194 -1.288 4.627 443 HA GLN 60 HA GLN 60 8.022 -1.443 3.974 444 HB2 GLN 60 1HB GLN 60 7.927 -0.506 6.275 445 HB3 GLN 60 2HB GLN 60 7.042 -1.935 6.791 446 HG2 GLN 60 1HG GLN 60 8.968 -3.327 6.142 447 HG3 GLN 60 2HG GLN 60 9.854 -1.861 5.722 448 HE21 GLN 60 1HE2 GLN 60 10.495 -0.448 7.371 449 HE22 GLN 60 2HE2 GLN 60 10.596 -0.964 9.017 450 H ARG 61 H ARG 61 8.421 -3.357 3.094 451 HA ARG 61 HA ARG 61 6.575 -5.341 2.665 452 HB2 ARG 61 1HB ARG 61 8.758 -5.123 1.494 453 HB3 ARG 61 2HB ARG 61 9.558 -5.755 2.927 454 HG2 ARG 61 1HG ARG 61 7.381 -7.351 1.671 455 HG3 ARG 61 2HG ARG 61 8.975 -7.316 0.913 456 HD2 ARG 61 1HD ARG 61 9.916 -7.933 3.179 457 HD3 ARG 61 2HD ARG 61 8.255 -8.241 3.684 458 HE ARG 61 HE ARG 61 8.369 -10.232 2.589 459 HH11 ARG 61 2HH1 ARG 61 10.749 -8.089 1.223 460 HH12 ARG 61 1HH1 ARG 61 11.406 -9.286 0.157 461 HH21 ARG 61 2HH2 ARG 61 9.226 -11.817 1.190 462 HH22 ARG 61 1HH2 ARG 61 10.538 -11.407 0.139 463 H LEU 62 H LEU 62 5.939 -7.203 3.668 464 HA LEU 62 HA LEU 62 6.629 -7.423 6.499 465 HB2 LEU 62 1HB LEU 62 4.343 -8.268 4.806 466 HB3 LEU 62 2HB LEU 62 4.711 -9.244 6.227 467 HG LEU 62 HG LEU 62 4.277 -6.276 6.411 468 HD11 LEU 62 1HD1 LEU 62 2.314 -8.391 5.926 469 HD12 LEU 62 2HD1 LEU 62 2.172 -6.643 5.744 470 HD13 LEU 62 3HD1 LEU 62 1.965 -7.383 7.331 471 HD21 LEU 62 1HD2 LEU 62 5.365 -7.426 8.295 472 HD22 LEU 62 2HD2 LEU 62 3.979 -8.510 8.417 473 HD23 LEU 62 3HD2 LEU 62 3.780 -6.784 8.727 474 H SER 63 H SER 63 8.077 -8.856 7.153 475 HA SER 63 HA SER 63 9.074 -10.879 5.361 476 HB2 SER 63 1HB SER 63 10.525 -9.566 6.946 477 HB3 SER 63 2HB SER 63 9.787 -10.464 8.272 478 HG SER 63 HG SER 63 11.680 -11.495 7.671 479 H GLY 64 H GLY 64 7.365 -12.315 5.053 480 HA2 GLY 64 1HA GLY 64 7.201 -14.630 6.358 481 HA3 GLY 64 2HA GLY 64 6.186 -13.619 7.376 482 HA PRO 65 HA PRO 65 4.030 -15.234 3.376 483 HB2 PRO 65 1HB PRO 65 3.118 -17.658 4.192 484 HB3 PRO 65 2HB PRO 65 4.665 -17.442 3.365 485 HG2 PRO 65 1HG PRO 65 4.109 -17.754 6.289 486 HG3 PRO 65 2HG PRO 65 5.388 -18.492 5.309 487 HD2 PRO 65 1HD PRO 65 5.825 -16.339 6.891 488 HD3 PRO 65 2HD PRO 65 6.701 -16.599 5.369 489 H SER 66 H SER 66 3.070 -16.209 6.676 490 HA SER 66 HA SER 66 0.303 -15.676 6.203 491 HB2 SER 66 1HB SER 66 1.487 -17.259 7.962 492 HB3 SER 66 2HB SER 66 1.419 -15.816 8.974 493 HG SER 66 HG SER 66 -0.619 -17.462 8.087 494 H SER 67 H SER 67 0.123 -13.540 5.538 495 HA SER 67 HA SER 67 0.828 -11.501 7.543 496 HB2 SER 67 1HB SER 67 0.560 -11.341 4.542 497 HB3 SER 67 2HB SER 67 0.579 -9.901 5.560 498 HG SER 67 HG SER 67 2.669 -10.185 5.098 499 H GLY 68 H GLY 68 -0.684 -9.917 8.104 500 HA2 GLY 68 1HA GLY 68 -3.054 -9.179 7.167 501 HA3 GLY 68 2HA GLY 68 -3.452 -10.778 7.779 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -17.653 -14.584 3.607 2 HA2 GLY 1 1HA GLY 1 -18.812 -11.918 3.722 3 HA3 GLY 1 2HA GLY 1 -17.916 -12.420 5.147 4 H SER 2 H SER 2 -15.679 -13.387 4.576 5 HA SER 2 HA SER 2 -14.357 -11.418 2.870 6 HB2 SER 2 1HB SER 2 -13.346 -13.310 4.994 7 HB3 SER 2 2HB SER 2 -12.260 -12.389 3.953 8 HG SER 2 HG SER 2 -13.990 -11.498 5.965 9 H SER 3 H SER 3 -12.303 -12.317 1.750 10 HA SER 3 HA SER 3 -12.956 -14.876 0.445 11 HB2 SER 3 1HB SER 3 -11.991 -12.316 -0.844 12 HB3 SER 3 2HB SER 3 -11.995 -13.878 -1.662 13 HG SER 3 HG SER 3 -14.367 -13.074 -0.448 14 H GLY 4 H GLY 4 -10.342 -12.482 0.862 15 HA2 GLY 4 1HA GLY 4 -8.205 -12.905 1.728 16 HA3 GLY 4 2HA GLY 4 -8.529 -14.629 1.625 17 H SER 5 H SER 5 -6.103 -13.623 0.830 18 HA SER 5 HA SER 5 -6.007 -14.520 -1.893 19 HB2 SER 5 1HB SER 5 -5.031 -12.495 -2.854 20 HB3 SER 5 2HB SER 5 -6.639 -12.151 -2.218 21 HG SER 5 HG SER 5 -4.225 -11.129 -1.482 22 H SER 6 H SER 6 -3.687 -14.369 -2.739 23 HA SER 6 HA SER 6 -1.750 -14.540 -0.535 24 HB2 SER 6 1HB SER 6 -0.879 -16.605 -1.276 25 HB3 SER 6 2HB SER 6 -2.628 -16.817 -1.348 26 HG SER 6 HG SER 6 -0.880 -17.095 -3.308 27 H GLY 7 H GLY 7 0.176 -13.605 -0.929 28 HA2 GLY 7 1HA GLY 7 1.648 -13.411 -3.195 29 HA3 GLY 7 2HA GLY 7 0.477 -12.115 -3.385 30 H ASN 8 H ASN 8 1.995 -10.472 -3.272 31 HA ASN 8 HA ASN 8 3.756 -10.288 -0.982 32 HB2 ASN 8 1HB ASN 8 3.276 -8.249 -3.164 33 HB3 ASN 8 2HB ASN 8 4.631 -8.294 -2.040 34 HD21 ASN 8 1HD2 ASN 8 6.425 -9.015 -2.901 35 HD22 ASN 8 2HD2 ASN 8 6.557 -10.188 -4.162 36 H THR 9 H THR 9 3.235 -9.363 0.878 37 HA THR 9 HA THR 9 0.931 -7.528 0.940 38 HB THR 9 HB THR 9 0.853 -8.108 3.409 39 HG1 THR 9 1HG THR 9 2.592 -10.193 2.529 40 HG21 THR 9 1HG2 THR 9 -0.800 -9.051 1.977 41 HG22 THR 9 2HG2 THR 9 -0.190 -10.367 2.981 42 HG23 THR 9 3HG2 THR 9 0.347 -10.210 1.308 43 H TYR 10 H TYR 10 1.033 -5.668 2.262 44 HA TYR 10 HA TYR 10 3.652 -4.927 3.328 45 HB2 TYR 10 1HB TYR 10 2.134 -3.372 1.234 46 HB3 TYR 10 2HB TYR 10 3.393 -2.652 2.232 47 HD1 TYR 10 2HD TYR 10 2.826 -5.537 -0.068 48 HD2 TYR 10 1HD TYR 10 5.585 -2.693 1.480 49 HE1 TYR 10 2HE TYR 10 4.528 -6.335 -1.654 50 HE2 TYR 10 1HE TYR 10 7.295 -3.482 -0.102 51 HH TYR 10 HH TYR 10 7.798 -4.944 -1.692 52 H VAL 11 H VAL 11 3.568 -3.626 5.099 53 HA VAL 11 HA VAL 11 0.885 -2.981 6.106 54 HB VAL 11 HB VAL 11 2.271 -4.442 7.532 55 HG11 VAL 11 1HG1 VAL 11 4.440 -3.342 6.810 56 HG12 VAL 11 2HG1 VAL 11 4.069 -2.075 7.981 57 HG13 VAL 11 3HG1 VAL 11 4.291 -3.739 8.521 58 HG21 VAL 11 1HG2 VAL 11 1.170 -1.851 8.357 59 HG22 VAL 11 2HG2 VAL 11 0.851 -3.470 8.979 60 HG23 VAL 11 3HG2 VAL 11 2.277 -2.583 9.519 61 H ALA 12 H ALA 12 0.243 -0.936 6.130 62 HA ALA 12 HA ALA 12 1.797 1.203 5.215 63 HB1 ALA 12 1HB ALA 12 -0.337 1.843 4.989 64 HB2 ALA 12 2HB ALA 12 -0.880 0.852 6.343 65 HB3 ALA 12 3HB ALA 12 -0.171 2.439 6.640 66 H LEU 13 H LEU 13 3.531 2.013 6.193 67 HA LEU 13 HA LEU 13 4.118 1.725 8.932 68 HB2 LEU 13 1HB LEU 13 5.242 3.746 7.000 69 HB3 LEU 13 2HB LEU 13 5.968 3.237 8.523 70 HG LEU 13 HG LEU 13 5.488 1.268 6.313 71 HD11 LEU 13 1HD1 LEU 13 6.784 3.277 5.488 72 HD12 LEU 13 2HD1 LEU 13 7.593 1.716 5.351 73 HD13 LEU 13 3HD1 LEU 13 8.036 2.828 6.646 74 HD21 LEU 13 1HD2 LEU 13 7.868 1.064 7.980 75 HD22 LEU 13 2HD2 LEU 13 6.640 -0.145 7.602 76 HD23 LEU 13 3HD2 LEU 13 6.366 1.013 8.904 77 H TYR 14 H TYR 14 2.770 4.412 7.068 78 HA TYR 14 HA TYR 14 1.755 5.559 9.558 79 HB2 TYR 14 1HB TYR 14 2.890 7.465 7.563 80 HB3 TYR 14 2HB TYR 14 2.707 7.642 9.304 81 HD1 TYR 14 1HD TYR 14 4.778 6.153 6.640 82 HD2 TYR 14 2HD TYR 14 4.442 6.966 10.803 83 HE1 TYR 14 1HE TYR 14 7.147 5.566 6.940 84 HE2 TYR 14 2HE TYR 14 6.811 6.382 11.114 85 HH TYR 14 HH TYR 14 8.893 5.624 8.367 86 H LYS 15 H LYS 15 0.204 7.409 9.053 87 HA LYS 15 HA LYS 15 -1.729 6.445 7.171 88 HB2 LYS 15 1HB LYS 15 -2.636 7.353 9.145 89 HB3 LYS 15 2HB LYS 15 -1.622 8.788 9.055 90 HG2 LYS 15 1HG LYS 15 -2.886 9.530 7.079 91 HG3 LYS 15 2HG LYS 15 -3.930 8.115 7.240 92 HD2 LYS 15 1HD LYS 15 -4.582 8.885 9.489 93 HD3 LYS 15 2HD LYS 15 -3.580 10.322 9.271 94 HE2 LYS 15 1HE LYS 15 -4.951 11.070 7.451 95 HE3 LYS 15 2HE LYS 15 -5.861 9.561 7.452 96 HZ1 LYS 15 1HZ LYS 15 -6.836 11.640 8.604 97 HZ2 LYS 15 2HZ LYS 15 -5.797 11.230 9.874 98 HZ3 LYS 15 3HZ LYS 15 -6.979 10.134 9.362 99 H PHE 16 H PHE 16 -2.376 7.330 5.247 100 HA PHE 16 HA PHE 16 -0.676 9.488 4.180 101 HB2 PHE 16 1HB PHE 16 -0.302 7.285 3.101 102 HB3 PHE 16 2HB PHE 16 -2.000 7.248 2.636 103 HD1 PHE 16 2HD PHE 16 -2.842 8.697 0.884 104 HD2 PHE 16 1HD PHE 16 1.269 8.729 1.986 105 HE1 PHE 16 2HE PHE 16 -2.300 9.910 -1.187 106 HE2 PHE 16 1HE PHE 16 1.818 9.943 -0.083 107 HZ PHE 16 HZ PHE 16 0.032 10.534 -1.673 108 H VAL 17 H VAL 17 -1.625 11.151 3.056 109 HA VAL 17 HA VAL 17 -4.573 11.220 3.113 110 HB VAL 17 HB VAL 17 -2.742 13.617 3.220 111 HG11 VAL 17 1HG1 VAL 17 -4.810 14.327 2.412 112 HG12 VAL 17 2HG1 VAL 17 -5.705 13.215 3.450 113 HG13 VAL 17 3HG1 VAL 17 -4.914 14.630 4.146 114 HG21 VAL 17 1HG2 VAL 17 -4.240 13.040 5.638 115 HG22 VAL 17 2HG2 VAL 17 -3.092 11.761 5.242 116 HG23 VAL 17 3HG2 VAL 17 -2.531 13.422 5.434 117 HA PRO 18 HA PRO 18 -3.683 11.347 -1.341 118 HB2 PRO 18 1HB PRO 18 -6.158 10.498 -2.066 119 HB3 PRO 18 2HB PRO 18 -4.874 9.394 -1.558 120 HG2 PRO 18 1HG PRO 18 -7.180 10.470 0.019 121 HG3 PRO 18 2HG PRO 18 -6.529 8.822 -0.028 122 HD2 PRO 18 1HD PRO 18 -5.962 10.555 1.973 123 HD3 PRO 18 2HD PRO 18 -4.808 9.325 1.420 124 H GLN 19 H GLN 19 -3.649 13.379 -2.090 125 HA GLN 19 HA GLN 19 -5.531 15.374 -1.436 126 HB2 GLN 19 1HB GLN 19 -3.470 15.199 -3.632 127 HB3 GLN 19 2HB GLN 19 -4.449 16.632 -3.346 128 HG2 GLN 19 1HG GLN 19 -2.917 15.487 -1.072 129 HG3 GLN 19 2HG GLN 19 -2.045 16.377 -2.319 130 HE21 GLN 19 1HE2 GLN 19 -1.509 18.093 -1.030 131 HE22 GLN 19 2HE2 GLN 19 -2.668 19.224 -0.428 132 H GLU 20 H GLU 20 -5.346 13.046 -4.030 133 HA GLU 20 HA GLU 20 -7.977 13.962 -4.963 134 HB2 GLU 20 1HB GLU 20 -5.525 13.421 -6.608 135 HB3 GLU 20 2HB GLU 20 -7.127 13.202 -7.299 136 HG2 GLU 20 1HG GLU 20 -6.435 15.768 -5.946 137 HG3 GLU 20 2HG GLU 20 -5.877 15.457 -7.589 138 H ASN 21 H ASN 21 -9.222 12.310 -6.076 139 HA ASN 21 HA ASN 21 -9.513 9.962 -4.739 140 HB2 ASN 21 1HB ASN 21 -11.128 10.810 -6.395 141 HB3 ASN 21 2HB ASN 21 -10.025 10.369 -7.694 142 HD21 ASN 21 1HD2 ASN 21 -12.503 9.385 -7.791 143 HD22 ASN 21 2HD2 ASN 21 -12.518 7.699 -7.414 144 H GLU 22 H GLU 22 -7.634 10.390 -7.733 145 HA GLU 22 HA GLU 22 -6.770 7.917 -8.310 146 HB2 GLU 22 1HB GLU 22 -4.961 10.333 -8.127 147 HB3 GLU 22 2HB GLU 22 -4.636 8.878 -9.058 148 HG2 GLU 22 1HG GLU 22 -6.874 10.835 -9.520 149 HG3 GLU 22 2HG GLU 22 -5.423 10.642 -10.502 150 H ASP 23 H ASP 23 -5.336 9.953 -5.771 151 HA ASP 23 HA ASP 23 -3.466 8.015 -4.899 152 HB2 ASP 23 1HB ASP 23 -4.631 10.439 -3.521 153 HB3 ASP 23 2HB ASP 23 -3.338 9.457 -2.837 154 H LEU 24 H LEU 24 -3.474 7.040 -2.699 155 HA LEU 24 HA LEU 24 -6.181 6.150 -1.952 156 HB2 LEU 24 1HB LEU 24 -5.357 4.197 -2.767 157 HB3 LEU 24 2HB LEU 24 -3.683 4.644 -2.446 158 HG LEU 24 HG LEU 24 -4.207 4.219 0.010 159 HD11 LEU 24 1HD1 LEU 24 -6.178 2.279 -0.282 160 HD12 LEU 24 2HD1 LEU 24 -6.784 3.678 -1.168 161 HD13 LEU 24 3HD1 LEU 24 -6.332 3.838 0.529 162 HD21 LEU 24 1HD2 LEU 24 -3.276 2.591 -1.993 163 HD22 LEU 24 2HD2 LEU 24 -4.545 1.613 -1.256 164 HD23 LEU 24 3HD2 LEU 24 -3.222 2.232 -0.267 165 H GLU 25 H GLU 25 -6.698 6.076 0.193 166 HA GLU 25 HA GLU 25 -4.797 7.367 2.006 167 HB2 GLU 25 1HB GLU 25 -7.020 8.369 1.849 168 HB3 GLU 25 2HB GLU 25 -7.759 6.838 2.299 169 HG2 GLU 25 1HG GLU 25 -7.121 7.016 4.499 170 HG3 GLU 25 2HG GLU 25 -5.778 8.097 4.133 171 H MET 26 H MET 26 -3.727 6.247 3.491 172 HA MET 26 HA MET 26 -4.826 3.663 4.374 173 HB2 MET 26 1HB MET 26 -2.232 3.130 4.614 174 HB3 MET 26 2HB MET 26 -3.108 2.829 3.119 175 HG2 MET 26 1HG MET 26 -2.354 5.083 2.333 176 HG3 MET 26 2HG MET 26 -1.321 5.157 3.759 177 HE1 MET 26 1HE MET 26 0.648 5.640 2.286 178 HE2 MET 26 2HE MET 26 1.235 4.489 3.486 179 HE3 MET 26 3HE MET 26 1.705 4.317 1.795 180 H ARG 27 H ARG 27 -3.713 2.900 6.433 181 HA ARG 27 HA ARG 27 -3.031 5.176 8.167 182 HB2 ARG 27 1HB ARG 27 -5.149 3.103 8.543 183 HB3 ARG 27 2HB ARG 27 -4.304 3.713 9.959 184 HG2 ARG 27 1HG ARG 27 -5.036 5.938 9.533 185 HG3 ARG 27 2HG ARG 27 -5.678 5.483 7.954 186 HD2 ARG 27 1HD ARG 27 -7.361 4.098 8.994 187 HD3 ARG 27 2HD ARG 27 -6.672 4.404 10.588 188 HE ARG 27 HE ARG 27 -7.409 6.824 9.288 189 HH11 ARG 27 2HH1 ARG 27 -8.694 4.097 11.029 190 HH12 ARG 27 1HH1 ARG 27 -10.077 4.958 11.617 191 HH21 ARG 27 2HH2 ARG 27 -9.226 7.969 10.056 192 HH22 ARG 27 1HH2 ARG 27 -10.379 7.161 11.063 193 HA PRO 28 HA PRO 28 0.308 2.768 9.683 194 HB2 PRO 28 1HB PRO 28 0.361 3.439 12.313 195 HB3 PRO 28 2HB PRO 28 0.854 4.548 11.028 196 HG2 PRO 28 1HG PRO 28 -1.745 4.398 12.506 197 HG3 PRO 28 2HG PRO 28 -0.795 5.826 12.056 198 HD2 PRO 28 1HD PRO 28 -2.972 5.025 10.659 199 HD3 PRO 28 2HD PRO 28 -1.585 5.825 9.891 200 H GLY 29 H GLY 29 -0.257 0.619 9.515 201 HA2 GLY 29 1HA GLY 29 -0.228 -1.322 11.059 202 HA3 GLY 29 2HA GLY 29 -1.570 -0.551 11.891 203 H ASP 30 H ASP 30 -1.793 -0.108 8.568 204 HA ASP 30 HA ASP 30 -3.780 -2.270 8.391 205 HB2 ASP 30 1HB ASP 30 -3.580 0.432 7.094 206 HB3 ASP 30 2HB ASP 30 -4.553 -0.839 6.359 207 H ILE 31 H ILE 31 -3.776 -3.692 6.682 208 HA ILE 31 HA ILE 31 -1.240 -4.035 5.345 209 HB ILE 31 HB ILE 31 -3.781 -5.657 5.326 210 HG12 ILE 31 1HG1 ILE 31 -2.735 -7.070 6.812 211 HG13 ILE 31 2HG1 ILE 31 -1.126 -6.680 6.215 212 HG21 ILE 31 1HG2 ILE 31 -2.071 -7.339 4.196 213 HG22 ILE 31 2HG2 ILE 31 -3.054 -6.226 3.246 214 HG23 ILE 31 3HG2 ILE 31 -1.372 -5.832 3.604 215 HD11 ILE 31 1HD1 ILE 31 -1.429 -5.870 8.473 216 HD12 ILE 31 2HD1 ILE 31 -1.241 -4.519 7.355 217 HD13 ILE 31 3HD1 ILE 31 -2.840 -4.938 7.971 218 H ILE 32 H ILE 32 -0.892 -4.054 3.116 219 HA ILE 32 HA ILE 32 -3.028 -2.886 1.462 220 HB ILE 32 HB ILE 32 -0.129 -2.057 1.531 221 HG12 ILE 32 1HG1 ILE 32 -1.512 0.229 1.627 222 HG13 ILE 32 2HG1 ILE 32 -2.724 -0.836 2.329 223 HG21 ILE 32 1HG2 ILE 32 -1.861 -2.190 -0.711 224 HG22 ILE 32 2HG2 ILE 32 -1.633 -0.492 -0.296 225 HG23 ILE 32 3HG2 ILE 32 -0.234 -1.516 -0.617 226 HD11 ILE 32 1HD1 ILE 32 -1.205 -1.478 4.080 227 HD12 ILE 32 2HD1 ILE 32 0.092 -0.539 3.341 228 HD13 ILE 32 3HD1 ILE 32 -1.319 0.280 4.009 229 H THR 33 H THR 33 -3.544 -4.336 -0.029 230 HA THR 33 HA THR 33 -1.784 -6.437 -0.833 231 HB THR 33 HB THR 33 -4.411 -5.584 -2.067 232 HG1 THR 33 1HG THR 33 -5.205 -6.420 -0.299 233 HG21 THR 33 1HG2 THR 33 -3.698 -7.013 -3.672 234 HG22 THR 33 2HG2 THR 33 -4.214 -8.240 -2.514 235 HG23 THR 33 3HG2 THR 33 -2.515 -7.778 -2.613 236 H LEU 34 H LEU 34 -0.027 -5.898 -1.991 237 HA LEU 34 HA LEU 34 0.194 -3.744 -3.764 238 HB2 LEU 34 1HB LEU 34 1.998 -5.263 -2.668 239 HB3 LEU 34 2HB LEU 34 1.793 -6.247 -4.116 240 HG LEU 34 HG LEU 34 2.461 -4.344 -5.503 241 HD11 LEU 34 1HD1 LEU 34 3.639 -2.496 -3.963 242 HD12 LEU 34 2HD1 LEU 34 2.294 -2.938 -2.913 243 HD13 LEU 34 3HD1 LEU 34 1.981 -2.355 -4.548 244 HD21 LEU 34 1HD2 LEU 34 4.414 -5.394 -5.245 245 HD22 LEU 34 2HD2 LEU 34 4.151 -5.645 -3.519 246 HD23 LEU 34 3HD2 LEU 34 4.811 -4.115 -4.097 247 H LEU 35 H LEU 35 -0.707 -3.429 -5.679 248 HA LEU 35 HA LEU 35 -1.735 -5.728 -7.171 249 HB2 LEU 35 1HB LEU 35 -2.216 -2.805 -7.704 250 HB3 LEU 35 2HB LEU 35 -3.101 -4.175 -8.373 251 HG LEU 35 HG LEU 35 -3.118 -3.782 -5.421 252 HD11 LEU 35 1HD1 LEU 35 -3.550 -1.545 -6.230 253 HD12 LEU 35 2HD1 LEU 35 -5.043 -2.264 -5.627 254 HD13 LEU 35 3HD1 LEU 35 -4.755 -2.159 -7.363 255 HD21 LEU 35 1HD2 LEU 35 -4.539 -5.473 -5.657 256 HD22 LEU 35 2HD2 LEU 35 -4.526 -5.313 -7.414 257 HD23 LEU 35 3HD2 LEU 35 -5.650 -4.354 -6.448 258 H GLU 36 H GLU 36 -0.137 -2.633 -7.957 259 HA GLU 36 HA GLU 36 1.390 -4.067 -10.028 260 HB2 GLU 36 1HB GLU 36 -0.518 -2.355 -10.699 261 HB3 GLU 36 2HB GLU 36 0.743 -1.175 -10.375 262 HG2 GLU 36 1HG GLU 36 0.539 -1.891 -12.758 263 HG3 GLU 36 2HG GLU 36 2.145 -2.073 -12.055 264 H ASP 37 H ASP 37 3.435 -4.160 -9.388 265 HA ASP 37 HA ASP 37 4.572 -1.872 -7.930 266 HB2 ASP 37 1HB ASP 37 6.250 -3.404 -7.075 267 HB3 ASP 37 2HB ASP 37 4.645 -4.064 -6.773 268 H SER 38 H SER 38 4.226 -2.307 -10.913 269 HA SER 38 HA SER 38 6.689 -2.796 -12.135 270 HB2 SER 38 1HB SER 38 5.765 -1.506 -14.056 271 HB3 SER 38 2HB SER 38 4.636 -2.708 -13.430 272 HG SER 38 HG SER 38 4.616 0.088 -12.954 273 H ASN 39 H ASN 39 5.566 -0.067 -10.358 274 HA ASN 39 HA ASN 39 7.578 1.733 -11.416 275 HB2 ASN 39 1HB ASN 39 5.359 1.971 -9.415 276 HB3 ASN 39 2HB ASN 39 6.643 3.176 -9.436 277 HD21 ASN 39 1HD2 ASN 39 4.363 4.245 -9.887 278 HD22 ASN 39 2HD2 ASN 39 4.064 4.557 -11.560 279 H GLU 40 H GLU 40 8.758 3.051 -9.571 280 HA GLU 40 HA GLU 40 9.991 1.083 -7.757 281 HB2 GLU 40 1HB GLU 40 11.247 3.322 -9.335 282 HB3 GLU 40 2HB GLU 40 12.056 2.569 -7.968 283 HG2 GLU 40 1HG GLU 40 12.087 0.447 -9.070 284 HG3 GLU 40 2HG GLU 40 11.085 1.063 -10.383 285 H ASP 41 H ASP 41 9.184 4.499 -8.227 286 HA ASP 41 HA ASP 41 9.789 5.218 -5.518 287 HB2 ASP 41 1HB ASP 41 9.787 6.738 -7.608 288 HB3 ASP 41 2HB ASP 41 8.044 6.825 -7.369 289 H TRP 42 H TRP 42 6.711 5.195 -7.325 290 HA TRP 42 HA TRP 42 5.343 4.632 -4.776 291 HB2 TRP 42 1HB TRP 42 4.333 6.109 -7.215 292 HB3 TRP 42 2HB TRP 42 3.339 5.689 -5.822 293 HD1 TRP 42 HD TRP 42 6.904 7.200 -5.753 294 HE1 TRP 42 1HE TRP 42 6.800 9.419 -4.453 295 HE3 TRP 42 3HE TRP 42 1.861 7.435 -4.949 296 HZ2 TRP 42 2HZ TRP 42 4.840 11.053 -3.246 297 HZ3 TRP 42 3HZ TRP 42 0.952 9.358 -3.713 298 HH2 TRP 42 HH TRP 42 2.413 11.128 -2.879 299 H TRP 43 H TRP 43 3.728 3.073 -4.726 300 HA TRP 43 HA TRP 43 3.462 1.413 -7.144 301 HB2 TRP 43 1HB TRP 43 3.719 0.416 -4.298 302 HB3 TRP 43 2HB TRP 43 3.444 -0.591 -5.717 303 HD1 TRP 43 HD TRP 43 5.631 0.916 -7.595 304 HE1 TRP 43 1HE TRP 43 8.124 0.442 -7.166 305 HE3 TRP 43 3HE TRP 43 5.317 -0.799 -2.789 306 HZ2 TRP 43 2HZ TRP 43 9.744 -0.531 -5.069 307 HZ3 TRP 43 3HZ TRP 43 7.384 -1.482 -1.643 308 HH2 TRP 43 HH TRP 43 9.551 -1.351 -2.761 309 H LYS 44 H LYS 44 1.515 0.025 -7.130 310 HA LYS 44 HA LYS 44 -0.733 1.472 -5.912 311 HB2 LYS 44 1HB LYS 44 -0.617 1.176 -8.421 312 HB3 LYS 44 2HB LYS 44 -0.851 -0.546 -8.155 313 HG2 LYS 44 1HG LYS 44 -2.998 0.102 -8.556 314 HG3 LYS 44 2HG LYS 44 -2.946 0.275 -6.801 315 HD2 LYS 44 1HD LYS 44 -2.745 2.611 -6.927 316 HD3 LYS 44 2HD LYS 44 -2.292 2.565 -8.632 317 HE2 LYS 44 1HE LYS 44 -4.614 1.599 -9.049 318 HE3 LYS 44 2HE LYS 44 -4.993 2.094 -7.400 319 HZ1 LYS 44 1HZ LYS 44 -3.956 4.343 -8.347 320 HZ2 LYS 44 2HZ LYS 44 -5.605 3.978 -8.441 321 HZ3 LYS 44 3HZ LYS 44 -4.603 3.717 -9.779 322 H GLY 45 H GLY 45 -2.231 0.458 -4.639 323 HA2 GLY 45 1HA GLY 45 -1.969 -2.433 -4.216 324 HA3 GLY 45 2HA GLY 45 -1.779 -1.371 -2.829 325 H LYS 46 H LYS 46 -3.696 -3.235 -2.671 326 HA LYS 46 HA LYS 46 -6.176 -1.685 -3.027 327 HB2 LYS 46 1HB LYS 46 -6.207 -3.522 -4.601 328 HB3 LYS 46 2HB LYS 46 -5.780 -4.665 -3.334 329 HG2 LYS 46 1HG LYS 46 -7.906 -4.345 -2.258 330 HG3 LYS 46 2HG LYS 46 -8.331 -3.068 -3.399 331 HD2 LYS 46 1HD LYS 46 -7.842 -4.999 -5.155 332 HD3 LYS 46 2HD LYS 46 -8.261 -6.016 -3.774 333 HE2 LYS 46 1HE LYS 46 -10.283 -4.304 -3.616 334 HE3 LYS 46 2HE LYS 46 -9.944 -4.131 -5.337 335 HZ1 LYS 46 1HZ LYS 46 -11.466 -6.078 -4.191 336 HZ2 LYS 46 2HZ LYS 46 -10.003 -6.867 -4.502 337 HZ3 LYS 46 3HZ LYS 46 -10.838 -6.108 -5.762 338 H ILE 47 H ILE 47 -7.079 -1.164 -1.157 339 HA ILE 47 HA ILE 47 -6.411 -2.736 1.229 340 HB ILE 47 HB ILE 47 -7.702 -0.010 1.113 341 HG12 ILE 47 1HG1 ILE 47 -4.804 -0.793 1.476 342 HG13 ILE 47 2HG1 ILE 47 -5.485 0.148 0.154 343 HG21 ILE 47 1HG2 ILE 47 -6.842 0.054 3.497 344 HG22 ILE 47 2HG2 ILE 47 -8.205 -1.018 3.181 345 HG23 ILE 47 3HG2 ILE 47 -6.580 -1.683 3.342 346 HD11 ILE 47 1HD1 ILE 47 -5.106 0.960 3.014 347 HD12 ILE 47 2HD1 ILE 47 -4.427 1.693 1.560 348 HD13 ILE 47 3HD1 ILE 47 -6.149 1.851 1.906 349 H GLN 48 H GLN 48 -8.151 -2.973 2.872 350 HA GLN 48 HA GLN 48 -10.184 -4.542 2.221 351 HB2 GLN 48 1HB GLN 48 -10.366 -2.292 4.231 352 HB3 GLN 48 2HB GLN 48 -11.477 -3.653 4.153 353 HG2 GLN 48 1HG GLN 48 -9.364 -5.105 4.403 354 HG3 GLN 48 2HG GLN 48 -8.598 -3.616 4.953 355 HE21 GLN 48 1HE2 GLN 48 -8.469 -5.341 6.797 356 HE22 GLN 48 2HE2 GLN 48 -9.692 -5.186 8.007 357 H ASP 49 H ASP 49 -11.042 -1.139 2.794 358 HA ASP 49 HA ASP 49 -12.917 -1.332 0.527 359 HB2 ASP 49 1HB ASP 49 -13.208 0.046 3.193 360 HB3 ASP 49 2HB ASP 49 -14.226 0.453 1.814 361 H ARG 50 H ARG 50 -10.044 -0.244 0.985 362 HA ARG 50 HA ARG 50 -10.537 2.357 -0.307 363 HB2 ARG 50 1HB ARG 50 -8.601 1.611 1.852 364 HB3 ARG 50 2HB ARG 50 -8.186 2.893 0.723 365 HG2 ARG 50 1HG ARG 50 -10.836 3.006 2.059 366 HG3 ARG 50 2HG ARG 50 -9.397 3.395 3.004 367 HD2 ARG 50 1HD ARG 50 -8.776 4.963 1.089 368 HD3 ARG 50 2HD ARG 50 -10.434 4.745 0.530 369 HE ARG 50 HE ARG 50 -9.568 6.384 2.681 370 HH11 ARG 50 2HH1 ARG 50 -12.178 4.330 1.640 371 HH12 ARG 50 1HH1 ARG 50 -13.374 5.146 2.592 372 HH21 ARG 50 2HH2 ARG 50 -11.133 7.467 3.939 373 HH22 ARG 50 1HH2 ARG 50 -12.778 6.930 3.899 374 H ILE 51 H ILE 51 -9.223 2.913 -2.029 375 HA ILE 51 HA ILE 51 -7.095 1.102 -2.840 376 HB ILE 51 HB ILE 51 -9.367 1.699 -4.733 377 HG12 ILE 51 1HG1 ILE 51 -8.738 -0.908 -3.333 378 HG13 ILE 51 2HG1 ILE 51 -10.044 0.179 -2.873 379 HG21 ILE 51 1HG2 ILE 51 -6.808 0.164 -4.929 380 HG22 ILE 51 2HG2 ILE 51 -8.186 -0.263 -5.943 381 HG23 ILE 51 3HG2 ILE 51 -7.487 1.354 -6.040 382 HD11 ILE 51 1HD1 ILE 51 -10.075 -1.896 -4.780 383 HD12 ILE 51 2HD1 ILE 51 -11.375 -0.788 -4.343 384 HD13 ILE 51 3HD1 ILE 51 -10.267 -0.374 -5.651 385 H GLY 52 H GLY 52 -5.852 1.939 -4.686 386 HA2 GLY 52 1HA GLY 52 -5.838 4.046 -6.183 387 HA3 GLY 52 2HA GLY 52 -5.846 4.881 -4.637 388 H PHE 53 H PHE 53 -3.831 5.742 -5.774 389 HA PHE 53 HA PHE 53 -1.536 3.976 -5.688 390 HB2 PHE 53 1HB PHE 53 -1.650 6.947 -6.249 391 HB3 PHE 53 2HB PHE 53 -0.281 5.880 -6.547 392 HD1 PHE 53 2HD PHE 53 -0.445 4.135 -8.308 393 HD2 PHE 53 1HD PHE 53 -3.428 7.127 -7.790 394 HE1 PHE 53 2HE PHE 53 -1.295 3.675 -10.571 395 HE2 PHE 53 1HE PHE 53 -4.284 6.671 -10.051 396 HZ PHE 53 HZ PHE 53 -3.216 4.944 -11.446 397 H PHE 54 H PHE 54 0.447 4.638 -4.527 398 HA PHE 54 HA PHE 54 0.284 6.428 -2.315 399 HB2 PHE 54 1HB PHE 54 0.276 4.895 -0.493 400 HB3 PHE 54 2HB PHE 54 -1.071 4.437 -1.528 401 HD1 PHE 54 2HD PHE 54 2.421 3.582 -0.648 402 HD2 PHE 54 1HD PHE 54 -1.220 2.283 -2.430 403 HE1 PHE 54 2HE PHE 54 3.304 1.289 -0.771 404 HE2 PHE 54 1HE PHE 54 -0.343 -0.012 -2.556 405 HZ PHE 54 HZ PHE 54 1.922 -0.512 -1.727 406 HA PRO 55 HA PRO 55 4.644 6.233 -2.819 407 HB2 PRO 55 1HB PRO 55 5.448 7.149 -0.393 408 HB3 PRO 55 2HB PRO 55 4.731 8.195 -1.625 409 HG2 PRO 55 1HG PRO 55 3.452 6.944 0.775 410 HG3 PRO 55 2HG PRO 55 3.271 8.590 0.141 411 HD2 PRO 55 1HD PRO 55 1.436 6.648 -0.302 412 HD3 PRO 55 2HD PRO 55 1.767 7.936 -1.478 413 H ALA 56 H ALA 56 6.070 4.617 -2.713 414 HA ALA 56 HA ALA 56 5.620 2.342 -1.064 415 HB1 ALA 56 1HB ALA 56 7.952 3.083 -2.825 416 HB2 ALA 56 2HB ALA 56 7.750 1.518 -2.036 417 HB3 ALA 56 3HB ALA 56 6.583 2.052 -3.245 418 H ASN 57 H ASN 57 7.007 5.296 -0.393 419 HA ASN 57 HA ASN 57 9.037 4.313 1.433 420 HB2 ASN 57 1HB ASN 57 8.198 6.979 0.404 421 HB3 ASN 57 2HB ASN 57 8.986 6.929 1.979 422 HD21 ASN 57 1HD2 ASN 57 11.136 6.536 2.107 423 HD22 ASN 57 2HD2 ASN 57 12.165 6.355 0.731 424 H PHE 58 H PHE 58 5.757 4.620 1.545 425 HA PHE 58 HA PHE 58 5.695 5.334 4.392 426 HB2 PHE 58 1HB PHE 58 3.722 5.482 2.170 427 HB3 PHE 58 2HB PHE 58 3.095 5.168 3.785 428 HD1 PHE 58 2HD PHE 58 5.939 7.309 2.709 429 HD2 PHE 58 1HD PHE 58 2.050 7.128 4.431 430 HE1 PHE 58 2HE PHE 58 6.055 9.714 3.215 431 HE2 PHE 58 1HE PHE 58 2.160 9.533 4.939 432 HZ PHE 58 HZ PHE 58 4.164 10.829 4.333 433 H VAL 59 H VAL 59 5.971 2.656 2.530 434 HA VAL 59 HA VAL 59 4.608 0.981 4.534 435 HB VAL 59 HB VAL 59 4.135 -0.679 2.794 436 HG11 VAL 59 1HG1 VAL 59 3.036 2.076 2.650 437 HG12 VAL 59 2HG1 VAL 59 2.563 0.930 1.395 438 HG13 VAL 59 3HG1 VAL 59 2.246 0.563 3.091 439 HG21 VAL 59 1HG2 VAL 59 4.812 1.307 0.670 440 HG22 VAL 59 2HG2 VAL 59 6.082 0.283 1.340 441 HG23 VAL 59 3HG2 VAL 59 4.677 -0.449 0.565 442 H GLN 60 H GLN 60 5.559 -1.111 4.896 443 HA GLN 60 HA GLN 60 8.391 -1.272 4.101 444 HB2 GLN 60 1HB GLN 60 8.293 -0.593 6.422 445 HB3 GLN 60 2HB GLN 60 7.175 -1.899 6.795 446 HG2 GLN 60 1HG GLN 60 9.210 -2.674 7.583 447 HG3 GLN 60 2HG GLN 60 9.044 -3.464 6.016 448 HE21 GLN 60 1HE2 GLN 60 10.298 -0.423 7.354 449 HE22 GLN 60 2HE2 GLN 60 11.750 -0.411 6.417 450 H ARG 61 H ARG 61 8.539 -2.916 2.720 451 HA ARG 61 HA ARG 61 6.856 -4.940 2.169 452 HB2 ARG 61 1HB ARG 61 8.897 -4.594 0.904 453 HB3 ARG 61 2HB ARG 61 9.871 -5.115 2.272 454 HG2 ARG 61 1HG ARG 61 9.144 -7.355 2.057 455 HG3 ARG 61 2HG ARG 61 7.871 -6.903 0.921 456 HD2 ARG 61 1HD ARG 61 9.449 -7.699 -0.532 457 HD3 ARG 61 2HD ARG 61 9.900 -5.995 -0.482 458 HE ARG 61 HE ARG 61 11.390 -8.229 0.596 459 HH11 ARG 61 2HH1 ARG 61 10.932 -4.778 0.549 460 HH12 ARG 61 1HH1 ARG 61 12.529 -4.428 1.123 461 HH21 ARG 61 2HH2 ARG 61 13.495 -7.780 1.351 462 HH22 ARG 61 1HH2 ARG 61 13.986 -6.136 1.578 463 H LEU 62 H LEU 62 6.144 -6.789 3.058 464 HA LEU 62 HA LEU 62 7.267 -7.548 5.670 465 HB2 LEU 62 1HB LEU 62 4.520 -7.674 4.507 466 HB3 LEU 62 2HB LEU 62 4.979 -8.808 5.776 467 HG LEU 62 HG LEU 62 5.336 -5.866 6.195 468 HD11 LEU 62 1HD1 LEU 62 3.151 -5.516 5.968 469 HD12 LEU 62 2HD1 LEU 62 2.935 -6.517 7.404 470 HD13 LEU 62 3HD1 LEU 62 2.815 -7.239 5.799 471 HD21 LEU 62 1HD2 LEU 62 4.670 -8.127 8.076 472 HD22 LEU 62 2HD2 LEU 62 5.080 -6.469 8.514 473 HD23 LEU 62 3HD2 LEU 62 6.295 -7.513 7.775 474 H SER 63 H SER 63 8.926 -8.833 4.740 475 HA SER 63 HA SER 63 8.153 -11.118 3.119 476 HB2 SER 63 1HB SER 63 10.592 -11.597 3.073 477 HB3 SER 63 2HB SER 63 10.213 -9.963 2.528 478 HG SER 63 HG SER 63 10.860 -10.468 5.223 479 H GLY 64 H GLY 64 7.795 -13.108 3.870 480 HA2 GLY 64 1HA GLY 64 8.536 -14.922 5.348 481 HA3 GLY 64 2HA GLY 64 8.665 -13.722 6.626 482 HA PRO 65 HA PRO 65 4.297 -15.720 6.193 483 HB2 PRO 65 1HB PRO 65 4.569 -17.959 7.704 484 HB3 PRO 65 2HB PRO 65 4.822 -17.944 5.955 485 HG2 PRO 65 1HG PRO 65 6.842 -17.839 8.161 486 HG3 PRO 65 2HG PRO 65 6.879 -18.773 6.655 487 HD2 PRO 65 1HD PRO 65 8.252 -16.461 6.969 488 HD3 PRO 65 2HD PRO 65 7.582 -16.969 5.405 489 H SER 66 H SER 66 6.600 -15.044 8.648 490 HA SER 66 HA SER 66 5.193 -15.360 10.998 491 HB2 SER 66 1HB SER 66 6.584 -13.515 11.900 492 HB3 SER 66 2HB SER 66 7.533 -14.674 10.969 493 HG SER 66 HG SER 66 6.484 -12.495 9.593 494 H SER 67 H SER 67 3.842 -14.036 12.236 495 HA SER 67 HA SER 67 2.775 -11.604 11.061 496 HB2 SER 67 1HB SER 67 1.154 -14.116 11.424 497 HB3 SER 67 2HB SER 67 0.395 -12.525 11.452 498 HG SER 67 HG SER 67 1.090 -12.176 9.364 499 H GLY 68 H GLY 68 1.598 -10.311 12.544 500 HA2 GLY 68 1HA GLY 68 0.647 -10.756 15.005 501 HA3 GLY 68 2HA GLY 68 2.379 -10.790 15.303 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -12.687 -22.263 -12.763 2 HA2 GLY 1 1HA GLY 1 -11.704 -22.325 -9.983 3 HA3 GLY 1 2HA GLY 1 -10.698 -22.055 -11.399 4 H SER 2 H SER 2 -10.315 -20.309 -9.475 5 HA SER 2 HA SER 2 -11.411 -17.852 -10.580 6 HB2 SER 2 1HB SER 2 -11.815 -18.728 -7.724 7 HB3 SER 2 2HB SER 2 -11.839 -17.026 -8.183 8 HG SER 2 HG SER 2 -13.744 -17.295 -9.033 9 H SER 3 H SER 3 -10.393 -15.927 -9.237 10 HA SER 3 HA SER 3 -7.583 -16.149 -9.584 11 HB2 SER 3 1HB SER 3 -9.027 -14.052 -9.848 12 HB3 SER 3 2HB SER 3 -8.977 -13.928 -8.089 13 HG SER 3 HG SER 3 -6.763 -13.917 -9.866 14 H GLY 4 H GLY 4 -6.618 -17.595 -8.231 15 HA2 GLY 4 1HA GLY 4 -6.669 -16.895 -5.367 16 HA3 GLY 4 2HA GLY 4 -6.849 -18.568 -5.874 17 H SER 5 H SER 5 -4.650 -15.819 -5.809 18 HA SER 5 HA SER 5 -2.407 -17.693 -5.710 19 HB2 SER 5 1HB SER 5 -1.121 -16.471 -7.358 20 HB3 SER 5 2HB SER 5 -2.660 -16.939 -8.080 21 HG SER 5 HG SER 5 -3.404 -14.841 -7.768 22 H SER 6 H SER 6 -1.273 -17.247 -3.953 23 HA SER 6 HA SER 6 -1.645 -15.019 -2.324 24 HB2 SER 6 1HB SER 6 -0.672 -17.092 -1.481 25 HB3 SER 6 2HB SER 6 0.751 -16.863 -2.497 26 HG SER 6 HG SER 6 0.592 -14.665 -1.168 27 H GLY 7 H GLY 7 -0.611 -13.080 -2.076 28 HA2 GLY 7 1HA GLY 7 1.452 -12.422 -4.085 29 HA3 GLY 7 2HA GLY 7 0.126 -11.326 -3.728 30 H ASN 8 H ASN 8 2.286 -10.043 -3.452 31 HA ASN 8 HA ASN 8 3.556 -10.420 -0.881 32 HB2 ASN 8 1HB ASN 8 3.888 -8.241 -2.956 33 HB3 ASN 8 2HB ASN 8 4.884 -8.427 -1.515 34 HD21 ASN 8 1HD2 ASN 8 6.788 -9.205 -2.022 35 HD22 ASN 8 2HD2 ASN 8 7.111 -10.448 -3.177 36 H THR 9 H THR 9 2.902 -9.546 0.964 37 HA THR 9 HA THR 9 0.864 -7.434 0.874 38 HB THR 9 HB THR 9 1.627 -9.054 3.300 39 HG1 THR 9 1HG THR 9 0.914 -10.575 1.858 40 HG21 THR 9 1HG2 THR 9 -0.303 -6.968 2.702 41 HG22 THR 9 2HG2 THR 9 0.214 -7.612 4.261 42 HG23 THR 9 3HG2 THR 9 -1.070 -8.414 3.357 43 H TYR 10 H TYR 10 1.118 -5.503 1.920 44 HA TYR 10 HA TYR 10 3.700 -5.030 3.252 45 HB2 TYR 10 1HB TYR 10 2.313 -3.289 1.212 46 HB3 TYR 10 2HB TYR 10 3.614 -2.709 2.246 47 HD1 TYR 10 2HD TYR 10 2.926 -5.602 -0.027 48 HD2 TYR 10 1HD TYR 10 5.732 -2.712 1.343 49 HE1 TYR 10 2HE TYR 10 4.578 -6.450 -1.639 50 HE2 TYR 10 1HE TYR 10 7.391 -3.551 -0.266 51 HH TYR 10 HH TYR 10 6.777 -5.227 -2.835 52 H VAL 11 H VAL 11 3.701 -3.551 4.951 53 HA VAL 11 HA VAL 11 1.027 -2.880 5.989 54 HB VAL 11 HB VAL 11 2.265 -4.430 7.421 55 HG11 VAL 11 1HG1 VAL 11 4.355 -3.933 8.399 56 HG12 VAL 11 2HG1 VAL 11 4.528 -3.558 6.683 57 HG13 VAL 11 3HG1 VAL 11 4.299 -2.257 7.853 58 HG21 VAL 11 1HG2 VAL 11 0.756 -2.978 8.550 59 HG22 VAL 11 2HG2 VAL 11 2.228 -3.044 9.519 60 HG23 VAL 11 3HG2 VAL 11 1.905 -1.641 8.501 61 H ALA 12 H ALA 12 0.504 -0.808 5.865 62 HA ALA 12 HA ALA 12 2.252 1.250 5.127 63 HB1 ALA 12 1HB ALA 12 -0.532 1.105 6.133 64 HB2 ALA 12 2HB ALA 12 0.281 2.669 6.212 65 HB3 ALA 12 3HB ALA 12 0.108 1.842 4.663 66 H LEU 13 H LEU 13 3.671 2.429 6.233 67 HA LEU 13 HA LEU 13 4.026 1.977 9.055 68 HB2 LEU 13 1HB LEU 13 5.474 3.885 7.225 69 HB3 LEU 13 2HB LEU 13 5.987 3.387 8.836 70 HG LEU 13 HG LEU 13 5.664 1.363 6.650 71 HD11 LEU 13 1HD1 LEU 13 7.215 3.464 6.147 72 HD12 LEU 13 2HD1 LEU 13 7.658 1.824 5.673 73 HD13 LEU 13 3HD1 LEU 13 8.341 2.534 7.136 74 HD21 LEU 13 1HD2 LEU 13 6.738 -0.032 8.052 75 HD22 LEU 13 2HD2 LEU 13 6.185 1.098 9.288 76 HD23 LEU 13 3HD2 LEU 13 7.823 1.226 8.645 77 H TYR 14 H TYR 14 3.080 4.692 6.988 78 HA TYR 14 HA TYR 14 2.016 6.031 9.383 79 HB2 TYR 14 1HB TYR 14 3.121 7.596 7.069 80 HB3 TYR 14 2HB TYR 14 2.828 8.127 8.721 81 HD1 TYR 14 2HD TYR 14 4.390 7.490 10.523 82 HD2 TYR 14 1HD TYR 14 5.172 6.518 6.455 83 HE1 TYR 14 2HE TYR 14 6.745 7.055 11.086 84 HE2 TYR 14 1HE TYR 14 7.529 6.079 7.007 85 HH TYR 14 HH TYR 14 9.163 6.726 8.748 86 H LYS 15 H LYS 15 0.342 7.685 8.836 87 HA LYS 15 HA LYS 15 -1.582 6.519 7.043 88 HB2 LYS 15 1HB LYS 15 -2.479 7.366 9.061 89 HB3 LYS 15 2HB LYS 15 -1.622 8.893 8.895 90 HG2 LYS 15 1HG LYS 15 -3.048 9.270 6.814 91 HG3 LYS 15 2HG LYS 15 -4.039 7.934 7.404 92 HD2 LYS 15 1HD LYS 15 -4.427 9.131 9.494 93 HD3 LYS 15 2HD LYS 15 -3.404 10.457 8.936 94 HE2 LYS 15 1HE LYS 15 -5.455 11.293 8.382 95 HE3 LYS 15 2HE LYS 15 -5.079 10.423 6.896 96 HZ1 LYS 15 1HZ LYS 15 -6.613 8.825 7.330 97 HZ2 LYS 15 2HZ LYS 15 -7.361 10.113 8.132 98 HZ3 LYS 15 3HZ LYS 15 -6.479 8.967 9.011 99 H PHE 16 H PHE 16 -2.116 7.160 5.042 100 HA PHE 16 HA PHE 16 -0.669 9.461 3.930 101 HB2 PHE 16 1HB PHE 16 -0.362 7.180 2.894 102 HB3 PHE 16 2HB PHE 16 -2.050 7.254 2.398 103 HD1 PHE 16 2HD PHE 16 -2.750 9.259 0.949 104 HD2 PHE 16 1HD PHE 16 1.293 8.064 1.539 105 HE1 PHE 16 2HE PHE 16 -2.098 10.471 -1.090 106 HE2 PHE 16 1HE PHE 16 1.951 9.275 -0.500 107 HZ PHE 16 HZ PHE 16 0.255 10.479 -1.818 108 H VAL 17 H VAL 17 -1.717 11.133 2.960 109 HA VAL 17 HA VAL 17 -4.658 11.110 3.135 110 HB VAL 17 HB VAL 17 -2.770 13.465 3.263 111 HG11 VAL 17 1HG1 VAL 17 -4.535 14.582 2.441 112 HG12 VAL 17 2HG1 VAL 17 -5.656 13.263 2.785 113 HG13 VAL 17 3HG1 VAL 17 -5.199 14.390 4.063 114 HG21 VAL 17 1HG2 VAL 17 -3.723 11.677 5.261 115 HG22 VAL 17 2HG2 VAL 17 -2.699 13.100 5.452 116 HG23 VAL 17 3HG2 VAL 17 -4.453 13.260 5.531 117 HA PRO 18 HA PRO 18 -3.924 11.233 -1.370 118 HB2 PRO 18 1HB PRO 18 -6.310 10.097 -1.993 119 HB3 PRO 18 2HB PRO 18 -4.887 9.153 -1.537 120 HG2 PRO 18 1HG PRO 18 -7.237 9.962 0.131 121 HG3 PRO 18 2HG PRO 18 -6.401 8.400 0.059 122 HD2 PRO 18 1HD PRO 18 -5.960 10.199 2.034 123 HD3 PRO 18 2HD PRO 18 -4.693 9.109 1.435 124 H GLN 19 H GLN 19 -4.117 13.322 -1.974 125 HA GLN 19 HA GLN 19 -6.315 14.986 -1.320 126 HB2 GLN 19 1HB GLN 19 -4.199 16.009 -1.759 127 HB3 GLN 19 2HB GLN 19 -4.099 15.261 -3.348 128 HG2 GLN 19 1HG GLN 19 -4.737 17.349 -3.957 129 HG3 GLN 19 2HG GLN 19 -6.325 16.616 -3.741 130 HE21 GLN 19 1HE2 GLN 19 -7.375 18.500 -3.254 131 HE22 GLN 19 2HE2 GLN 19 -7.108 19.384 -1.794 132 H GLU 20 H GLU 20 -5.494 13.054 -4.149 133 HA GLU 20 HA GLU 20 -8.191 13.595 -5.203 134 HB2 GLU 20 1HB GLU 20 -6.848 14.694 -6.756 135 HB3 GLU 20 2HB GLU 20 -5.556 13.509 -6.626 136 HG2 GLU 20 1HG GLU 20 -6.498 12.104 -8.131 137 HG3 GLU 20 2HG GLU 20 -8.144 12.555 -7.689 138 H ASN 21 H ASN 21 -9.247 11.870 -6.241 139 HA ASN 21 HA ASN 21 -9.302 9.445 -5.135 140 HB2 ASN 21 1HB ASN 21 -9.865 10.351 -7.913 141 HB3 ASN 21 2HB ASN 21 -9.821 8.614 -7.625 142 HD21 ASN 21 1HD2 ASN 21 -11.259 11.614 -6.441 143 HD22 ASN 21 2HD2 ASN 21 -12.753 10.907 -5.939 144 H GLU 22 H GLU 22 -7.083 10.360 -7.741 145 HA GLU 22 HA GLU 22 -5.894 8.003 -8.381 146 HB2 GLU 22 1HB GLU 22 -4.578 10.684 -7.931 147 HB3 GLU 22 2HB GLU 22 -3.764 9.315 -8.676 148 HG2 GLU 22 1HG GLU 22 -5.890 9.377 -10.249 149 HG3 GLU 22 2HG GLU 22 -5.900 11.067 -9.746 150 H ASP 23 H ASP 23 -5.053 10.035 -5.588 151 HA ASP 23 HA ASP 23 -3.092 8.222 -4.589 152 HB2 ASP 23 1HB ASP 23 -4.542 10.524 -3.269 153 HB3 ASP 23 2HB ASP 23 -3.214 9.635 -2.527 154 H LEU 24 H LEU 24 -3.233 7.130 -2.487 155 HA LEU 24 HA LEU 24 -5.944 6.085 -1.996 156 HB2 LEU 24 1HB LEU 24 -4.857 4.237 -2.798 157 HB3 LEU 24 2HB LEU 24 -3.292 4.754 -2.173 158 HG LEU 24 HG LEU 24 -4.117 4.159 0.121 159 HD11 LEU 24 1HD1 LEU 24 -6.334 3.914 0.287 160 HD12 LEU 24 2HD1 LEU 24 -6.052 2.292 -0.342 161 HD13 LEU 24 3HD1 LEU 24 -6.526 3.591 -1.436 162 HD21 LEU 24 1HD2 LEU 24 -2.995 2.274 -0.207 163 HD22 LEU 24 2HD2 LEU 24 -3.124 2.534 -1.947 164 HD23 LEU 24 3HD2 LEU 24 -4.346 1.581 -1.104 165 H GLU 25 H GLU 25 -6.614 5.785 0.117 166 HA GLU 25 HA GLU 25 -5.065 7.267 2.110 167 HB2 GLU 25 1HB GLU 25 -7.484 7.826 1.648 168 HB3 GLU 25 2HB GLU 25 -7.904 6.269 2.348 169 HG2 GLU 25 1HG GLU 25 -7.108 6.906 4.480 170 HG3 GLU 25 2HG GLU 25 -6.327 8.348 3.833 171 H MET 26 H MET 26 -3.789 6.135 3.405 172 HA MET 26 HA MET 26 -4.724 3.511 4.355 173 HB2 MET 26 1HB MET 26 -2.119 3.062 4.452 174 HB3 MET 26 2HB MET 26 -3.043 2.767 2.985 175 HG2 MET 26 1HG MET 26 -2.379 5.024 2.187 176 HG3 MET 26 2HG MET 26 -1.340 5.166 3.603 177 HE1 MET 26 1HE MET 26 1.590 4.769 1.734 178 HE2 MET 26 2HE MET 26 0.646 5.438 3.065 179 HE3 MET 26 3HE MET 26 1.525 3.924 3.281 180 H ARG 27 H ARG 27 -3.664 2.824 6.396 181 HA ARG 27 HA ARG 27 -2.858 5.115 8.058 182 HB2 ARG 27 1HB ARG 27 -5.036 3.136 8.500 183 HB3 ARG 27 2HB ARG 27 -4.105 3.647 9.901 184 HG2 ARG 27 1HG ARG 27 -4.614 6.028 9.188 185 HG3 ARG 27 2HG ARG 27 -5.793 5.327 8.077 186 HD2 ARG 27 1HD ARG 27 -7.003 5.876 10.021 187 HD3 ARG 27 2HD ARG 27 -6.765 4.130 10.088 188 HE ARG 27 HE ARG 27 -4.668 5.109 11.499 189 HH11 ARG 27 2HH1 ARG 27 -8.114 5.580 11.663 190 HH12 ARG 27 1HH1 ARG 27 -8.125 5.866 13.371 191 HH21 ARG 27 2HH2 ARG 27 -4.670 5.485 13.749 192 HH22 ARG 27 1HH2 ARG 27 -6.165 5.813 14.557 193 HA PRO 28 HA PRO 28 0.479 2.669 9.515 194 HB2 PRO 28 1HB PRO 28 0.632 3.394 12.127 195 HB3 PRO 28 2HB PRO 28 1.106 4.466 10.803 196 HG2 PRO 28 1HG PRO 28 -1.446 4.401 12.367 197 HG3 PRO 28 2HG PRO 28 -0.482 5.799 11.855 198 HD2 PRO 28 1HD PRO 28 -2.719 5.015 10.547 199 HD3 PRO 28 2HD PRO 28 -1.343 5.769 9.717 200 H GLY 29 H GLY 29 -0.332 0.556 9.328 201 HA2 GLY 29 1HA GLY 29 -0.235 -1.381 10.911 202 HA3 GLY 29 2HA GLY 29 -1.494 -0.549 11.811 203 H ASP 30 H ASP 30 -1.561 -0.446 8.355 204 HA ASP 30 HA ASP 30 -3.897 -2.235 8.396 205 HB2 ASP 30 1HB ASP 30 -3.185 0.169 6.762 206 HB3 ASP 30 2HB ASP 30 -4.256 -1.048 6.073 207 H ILE 31 H ILE 31 -4.273 -3.392 6.264 208 HA ILE 31 HA ILE 31 -1.713 -4.519 5.344 209 HB ILE 31 HB ILE 31 -4.442 -5.815 5.335 210 HG12 ILE 31 1HG1 ILE 31 -3.375 -5.497 7.593 211 HG13 ILE 31 2HG1 ILE 31 -3.669 -7.176 7.151 212 HG21 ILE 31 1HG2 ILE 31 -2.528 -7.776 5.031 213 HG22 ILE 31 2HG2 ILE 31 -3.552 -7.116 3.758 214 HG23 ILE 31 3HG2 ILE 31 -1.935 -6.462 4.017 215 HD11 ILE 31 1HD1 ILE 31 -1.167 -6.937 6.263 216 HD12 ILE 31 2HD1 ILE 31 -1.129 -5.734 7.552 217 HD13 ILE 31 3HD1 ILE 31 -1.563 -7.404 7.916 218 H ILE 32 H ILE 32 -1.148 -3.716 3.433 219 HA ILE 32 HA ILE 32 -3.247 -3.145 1.454 220 HB ILE 32 HB ILE 32 -0.384 -2.184 1.497 221 HG12 ILE 32 1HG1 ILE 32 -2.735 -0.375 1.835 222 HG13 ILE 32 2HG1 ILE 32 -2.219 -1.334 3.218 223 HG21 ILE 32 1HG2 ILE 32 -2.105 -2.406 -0.652 224 HG22 ILE 32 2HG2 ILE 32 -2.272 -0.723 -0.153 225 HG23 ILE 32 3HG2 ILE 32 -0.681 -1.369 -0.557 226 HD11 ILE 32 1HD1 ILE 32 0.116 -0.375 2.733 227 HD12 ILE 32 2HD1 ILE 32 -0.747 0.822 1.766 228 HD13 ILE 32 3HD1 ILE 32 -1.090 0.665 3.489 229 H THR 33 H THR 33 -3.435 -4.384 -0.291 230 HA THR 33 HA THR 33 -1.501 -6.510 -0.732 231 HB THR 33 HB THR 33 -4.128 -5.967 -2.131 232 HG1 THR 33 1HG THR 33 -4.686 -7.899 -0.793 233 HG21 THR 33 1HG2 THR 33 -3.518 -8.658 -2.348 234 HG22 THR 33 2HG2 THR 33 -1.973 -7.855 -2.631 235 HG23 THR 33 3HG2 THR 33 -3.373 -7.451 -3.625 236 H LEU 34 H LEU 34 0.211 -6.083 -1.959 237 HA LEU 34 HA LEU 34 0.505 -3.924 -3.694 238 HB2 LEU 34 1HB LEU 34 2.275 -5.475 -2.675 239 HB3 LEU 34 2HB LEU 34 1.959 -6.523 -4.056 240 HG LEU 34 HG LEU 34 2.595 -4.617 -5.546 241 HD11 LEU 34 1HD1 LEU 34 3.956 -2.818 -4.476 242 HD12 LEU 34 2HD1 LEU 34 3.362 -3.375 -2.912 243 HD13 LEU 34 3HD1 LEU 34 2.232 -2.747 -4.111 244 HD21 LEU 34 1HD2 LEU 34 5.077 -4.793 -4.214 245 HD22 LEU 34 2HD2 LEU 34 4.517 -5.720 -5.606 246 HD23 LEU 34 3HD2 LEU 34 4.246 -6.329 -3.972 247 H LEU 35 H LEU 35 -0.458 -3.510 -5.560 248 HA LEU 35 HA LEU 35 -1.584 -5.719 -7.116 249 HB2 LEU 35 1HB LEU 35 -2.034 -2.747 -7.149 250 HB3 LEU 35 2HB LEU 35 -2.677 -3.818 -8.392 251 HG LEU 35 HG LEU 35 -3.338 -3.985 -5.452 252 HD11 LEU 35 1HD1 LEU 35 -5.621 -3.242 -6.384 253 HD12 LEU 35 2HD1 LEU 35 -4.695 -2.647 -7.762 254 HD13 LEU 35 3HD1 LEU 35 -4.369 -2.023 -6.146 255 HD21 LEU 35 1HD2 LEU 35 -5.182 -5.450 -6.321 256 HD22 LEU 35 2HD2 LEU 35 -3.562 -6.134 -6.444 257 HD23 LEU 35 3HD2 LEU 35 -4.347 -5.463 -7.874 258 H GLU 36 H GLU 36 0.132 -2.662 -7.798 259 HA GLU 36 HA GLU 36 1.549 -4.063 -9.967 260 HB2 GLU 36 1HB GLU 36 0.096 -1.468 -9.986 261 HB3 GLU 36 2HB GLU 36 1.592 -1.560 -10.903 262 HG2 GLU 36 1HG GLU 36 -0.918 -3.156 -11.275 263 HG3 GLU 36 2HG GLU 36 -0.126 -2.071 -12.416 264 H ASP 37 H ASP 37 3.702 -3.937 -9.910 265 HA ASP 37 HA ASP 37 4.916 -2.098 -7.962 266 HB2 ASP 37 1HB ASP 37 6.857 -3.650 -8.011 267 HB3 ASP 37 2HB ASP 37 5.370 -4.427 -7.475 268 H SER 38 H SER 38 4.195 -1.927 -11.018 269 HA SER 38 HA SER 38 6.511 -1.635 -12.514 270 HB2 SER 38 1HB SER 38 4.073 -1.509 -13.294 271 HB3 SER 38 2HB SER 38 4.128 0.189 -12.822 272 HG SER 38 HG SER 38 4.740 -0.558 -15.106 273 H ASN 39 H ASN 39 4.888 0.710 -10.418 274 HA ASN 39 HA ASN 39 6.976 2.681 -10.920 275 HB2 ASN 39 1HB ASN 39 4.347 2.749 -9.455 276 HB3 ASN 39 2HB ASN 39 5.529 4.042 -9.269 277 HD21 ASN 39 1HD2 ASN 39 4.632 5.689 -10.320 278 HD22 ASN 39 2HD2 ASN 39 4.127 5.659 -11.972 279 H GLU 40 H GLU 40 8.810 2.035 -9.895 280 HA GLU 40 HA GLU 40 9.020 0.719 -7.462 281 HB2 GLU 40 1HB GLU 40 11.340 1.621 -7.381 282 HB3 GLU 40 2HB GLU 40 10.922 0.890 -8.924 283 HG2 GLU 40 1HG GLU 40 10.308 3.340 -9.586 284 HG3 GLU 40 2HG GLU 40 11.373 3.753 -8.244 285 H ASP 41 H ASP 41 9.168 4.215 -8.101 286 HA ASP 41 HA ASP 41 9.585 5.097 -5.504 287 HB2 ASP 41 1HB ASP 41 8.521 7.223 -6.250 288 HB3 ASP 41 2HB ASP 41 9.735 6.621 -7.375 289 H TRP 42 H TRP 42 6.454 4.817 -7.191 290 HA TRP 42 HA TRP 42 5.176 4.558 -4.548 291 HB2 TRP 42 1HB TRP 42 4.149 5.890 -7.057 292 HB3 TRP 42 2HB TRP 42 3.123 5.509 -5.677 293 HD1 TRP 42 HD TRP 42 6.666 7.086 -5.632 294 HE1 TRP 42 1HE TRP 42 6.515 9.333 -4.387 295 HE3 TRP 42 3HE TRP 42 1.621 7.223 -4.813 296 HZ2 TRP 42 2HZ TRP 42 4.522 10.950 -3.212 297 HZ3 TRP 42 3HZ TRP 42 0.673 9.155 -3.620 298 HH2 TRP 42 HH TRP 42 2.094 10.979 -2.837 299 H TRP 43 H TRP 43 3.984 2.787 -4.190 300 HA TRP 43 HA TRP 43 3.516 0.982 -6.468 301 HB2 TRP 43 1HB TRP 43 3.959 0.432 -3.536 302 HB3 TRP 43 2HB TRP 43 3.322 -0.786 -4.638 303 HD1 TRP 43 HD TRP 43 5.337 0.173 -7.088 304 HE1 TRP 43 1HE TRP 43 7.778 -0.635 -6.969 305 HE3 TRP 43 3HE TRP 43 5.584 -0.937 -2.103 306 HZ2 TRP 43 2HZ TRP 43 9.571 -1.613 -5.020 307 HZ3 TRP 43 3HZ TRP 43 7.698 -1.804 -1.191 308 HH2 TRP 43 HH TRP 43 9.649 -2.135 -2.621 309 H LYS 44 H LYS 44 1.512 0.070 -6.792 310 HA LYS 44 HA LYS 44 -0.703 1.444 -5.483 311 HB2 LYS 44 1HB LYS 44 -0.419 1.091 -8.041 312 HB3 LYS 44 2HB LYS 44 -0.992 -0.540 -7.720 313 HG2 LYS 44 1HG LYS 44 -2.960 0.638 -6.529 314 HG3 LYS 44 2HG LYS 44 -2.442 2.058 -7.441 315 HD2 LYS 44 1HD LYS 44 -2.786 0.947 -9.519 316 HD3 LYS 44 2HD LYS 44 -3.014 -0.610 -8.719 317 HE2 LYS 44 1HE LYS 44 -5.150 0.309 -9.426 318 HE3 LYS 44 2HE LYS 44 -5.058 0.241 -7.667 319 HZ1 LYS 44 1HZ LYS 44 -4.369 2.633 -7.763 320 HZ2 LYS 44 2HZ LYS 44 -5.967 2.328 -8.222 321 HZ3 LYS 44 3HZ LYS 44 -4.792 2.628 -9.401 322 H GLY 45 H GLY 45 -2.510 0.317 -4.607 323 HA2 GLY 45 1HA GLY 45 -2.288 -2.544 -4.170 324 HA3 GLY 45 2HA GLY 45 -2.097 -1.556 -2.729 325 H LYS 46 H LYS 46 -4.090 -3.299 -2.646 326 HA LYS 46 HA LYS 46 -6.494 -1.652 -3.081 327 HB2 LYS 46 1HB LYS 46 -6.561 -3.494 -4.641 328 HB3 LYS 46 2HB LYS 46 -6.195 -4.646 -3.364 329 HG2 LYS 46 1HG LYS 46 -8.333 -4.237 -2.325 330 HG3 LYS 46 2HG LYS 46 -8.697 -2.977 -3.506 331 HD2 LYS 46 1HD LYS 46 -8.140 -5.835 -4.273 332 HD3 LYS 46 2HD LYS 46 -9.762 -5.232 -3.926 333 HE2 LYS 46 1HE LYS 46 -7.928 -4.037 -5.998 334 HE3 LYS 46 2HE LYS 46 -9.145 -5.263 -6.353 335 HZ1 LYS 46 1HZ LYS 46 -10.800 -3.680 -5.362 336 HZ2 LYS 46 2HZ LYS 46 -10.118 -3.188 -6.830 337 HZ3 LYS 46 3HZ LYS 46 -9.586 -2.501 -5.378 338 H ILE 47 H ILE 47 -7.292 -1.005 -1.202 339 HA ILE 47 HA ILE 47 -6.823 -2.622 1.194 340 HB ILE 47 HB ILE 47 -7.818 0.217 0.929 341 HG12 ILE 47 1HG1 ILE 47 -5.162 -0.868 1.893 342 HG13 ILE 47 2HG1 ILE 47 -5.440 -0.097 0.336 343 HG21 ILE 47 1HG2 ILE 47 -7.365 0.260 3.414 344 HG22 ILE 47 2HG2 ILE 47 -8.776 -0.662 2.901 345 HG23 ILE 47 3HG2 ILE 47 -7.288 -1.500 3.339 346 HD11 ILE 47 1HD1 ILE 47 -5.116 1.083 3.002 347 HD12 ILE 47 2HD1 ILE 47 -4.708 1.726 1.411 348 HD13 ILE 47 3HD1 ILE 47 -6.369 1.809 1.997 349 H GLN 48 H GLN 48 -8.608 -2.752 2.793 350 HA GLN 48 HA GLN 48 -10.732 -4.177 2.070 351 HB2 GLN 48 1HB GLN 48 -10.814 -1.970 4.134 352 HB3 GLN 48 2HB GLN 48 -11.974 -3.287 4.018 353 HG2 GLN 48 1HG GLN 48 -9.077 -3.920 4.286 354 HG3 GLN 48 2HG GLN 48 -9.987 -3.401 5.703 355 HE21 GLN 48 1HE2 GLN 48 -8.949 -5.806 5.878 356 HE22 GLN 48 2HE2 GLN 48 -10.137 -7.044 5.673 357 H ASP 49 H ASP 49 -11.329 -0.729 2.709 358 HA ASP 49 HA ASP 49 -13.236 -0.745 0.462 359 HB2 ASP 49 1HB ASP 49 -13.355 0.537 3.169 360 HB3 ASP 49 2HB ASP 49 -14.229 1.261 1.822 361 H ARG 50 H ARG 50 -10.248 0.138 1.014 362 HA ARG 50 HA ARG 50 -10.511 2.761 -0.305 363 HB2 ARG 50 1HB ARG 50 -8.693 1.774 1.824 364 HB3 ARG 50 2HB ARG 50 -7.993 2.850 0.622 365 HG2 ARG 50 1HG ARG 50 -8.667 4.326 2.248 366 HG3 ARG 50 2HG ARG 50 -10.046 4.349 1.148 367 HD2 ARG 50 1HD ARG 50 -10.065 2.351 3.342 368 HD3 ARG 50 2HD ARG 50 -10.323 4.041 3.774 369 HE ARG 50 HE ARG 50 -12.154 2.310 2.421 370 HH11 ARG 50 2HH1 ARG 50 -11.155 5.623 2.804 371 HH12 ARG 50 1HH1 ARG 50 -12.695 6.277 2.352 372 HH21 ARG 50 2HH2 ARG 50 -14.186 3.158 1.826 373 HH22 ARG 50 1HH2 ARG 50 -14.419 4.873 1.797 374 H ILE 51 H ILE 51 -9.243 3.201 -2.090 375 HA ILE 51 HA ILE 51 -7.375 1.187 -3.048 376 HB ILE 51 HB ILE 51 -9.643 2.076 -4.826 377 HG12 ILE 51 1HG1 ILE 51 -9.311 -0.572 -3.398 378 HG13 ILE 51 2HG1 ILE 51 -10.480 0.671 -2.966 379 HG21 ILE 51 1HG2 ILE 51 -7.224 1.175 -5.557 380 HG22 ILE 51 2HG2 ILE 51 -8.067 -0.361 -5.364 381 HG23 ILE 51 3HG2 ILE 51 -8.694 0.855 -6.476 382 HD11 ILE 51 1HD1 ILE 51 -10.585 -0.197 -5.762 383 HD12 ILE 51 2HD1 ILE 51 -10.997 -1.434 -4.574 384 HD13 ILE 51 3HD1 ILE 51 -11.885 0.089 -4.606 385 H GLY 52 H GLY 52 -5.859 1.972 -4.503 386 HA2 GLY 52 1HA GLY 52 -5.745 4.062 -6.139 387 HA3 GLY 52 2HA GLY 52 -5.665 4.880 -4.585 388 H PHE 53 H PHE 53 -3.582 5.549 -5.736 389 HA PHE 53 HA PHE 53 -1.470 3.547 -5.536 390 HB2 PHE 53 1HB PHE 53 -1.260 6.423 -6.444 391 HB3 PHE 53 2HB PHE 53 -0.060 5.154 -6.666 392 HD1 PHE 53 2HD PHE 53 -0.693 3.163 -8.117 393 HD2 PHE 53 1HD PHE 53 -2.911 6.795 -8.040 394 HE1 PHE 53 2HE PHE 53 -1.702 2.590 -10.287 395 HE2 PHE 53 1HE PHE 53 -3.923 6.228 -10.209 396 HZ PHE 53 HZ PHE 53 -3.318 4.123 -11.336 397 H PHE 54 H PHE 54 0.585 4.153 -4.475 398 HA PHE 54 HA PHE 54 0.566 6.198 -2.467 399 HB2 PHE 54 1HB PHE 54 0.708 4.735 -0.519 400 HB3 PHE 54 2HB PHE 54 -0.817 4.480 -1.361 401 HD1 PHE 54 1HD PHE 54 -1.229 2.422 -2.592 402 HD2 PHE 54 2HD PHE 54 2.388 3.024 -0.431 403 HE1 PHE 54 1HE PHE 54 -0.752 0.012 -2.727 404 HE2 PHE 54 2HE PHE 54 2.871 0.615 -0.563 405 HZ PHE 54 HZ PHE 54 1.301 -0.894 -1.712 406 HA PRO 55 HA PRO 55 4.905 5.815 -3.019 407 HB2 PRO 55 1HB PRO 55 5.802 6.815 -0.660 408 HB3 PRO 55 2HB PRO 55 5.091 7.826 -1.923 409 HG2 PRO 55 1HG PRO 55 3.831 6.737 0.564 410 HG3 PRO 55 2HG PRO 55 3.692 8.357 -0.144 411 HD2 PRO 55 1HD PRO 55 1.779 6.464 -0.448 412 HD3 PRO 55 2HD PRO 55 2.125 7.682 -1.694 413 H ALA 56 H ALA 56 6.701 4.566 -2.459 414 HA ALA 56 HA ALA 56 6.097 2.164 -0.984 415 HB1 ALA 56 1HB ALA 56 8.170 3.054 -2.858 416 HB2 ALA 56 2HB ALA 56 8.730 1.939 -1.610 417 HB3 ALA 56 3HB ALA 56 7.403 1.476 -2.675 418 H ASN 57 H ASN 57 7.944 5.087 -0.487 419 HA ASN 57 HA ASN 57 9.539 4.223 1.665 420 HB2 ASN 57 1HB ASN 57 10.213 6.246 0.700 421 HB3 ASN 57 2HB ASN 57 8.583 6.913 0.731 422 HD21 ASN 57 1HD2 ASN 57 9.075 8.759 1.818 423 HD22 ASN 57 2HD2 ASN 57 9.599 8.788 3.464 424 H PHE 58 H PHE 58 6.200 5.065 1.451 425 HA PHE 58 HA PHE 58 5.839 5.608 4.248 426 HB2 PHE 58 1HB PHE 58 4.010 5.264 1.898 427 HB3 PHE 58 2HB PHE 58 3.347 5.238 3.529 428 HD1 PHE 58 2HD PHE 58 6.050 7.295 1.999 429 HD2 PHE 58 1HD PHE 58 2.223 7.219 3.859 430 HE1 PHE 58 2HE PHE 58 6.014 9.755 2.017 431 HE2 PHE 58 1HE PHE 58 2.180 9.679 3.880 432 HZ PHE 58 HZ PHE 58 4.078 10.950 2.959 433 H VAL 59 H VAL 59 5.552 2.821 2.142 434 HA VAL 59 HA VAL 59 4.614 1.187 4.394 435 HB VAL 59 HB VAL 59 4.108 -0.543 2.739 436 HG11 VAL 59 1HG1 VAL 59 2.260 0.804 3.130 437 HG12 VAL 59 2HG1 VAL 59 2.991 2.207 2.349 438 HG13 VAL 59 3HG1 VAL 59 2.413 0.855 1.374 439 HG21 VAL 59 1HG2 VAL 59 4.788 -0.520 0.595 440 HG22 VAL 59 2HG2 VAL 59 4.510 1.213 0.416 441 HG23 VAL 59 3HG2 VAL 59 5.990 0.631 1.178 442 H GLN 60 H GLN 60 5.600 -0.917 4.736 443 HA GLN 60 HA GLN 60 8.405 -1.056 3.857 444 HB2 GLN 60 1HB GLN 60 8.309 -0.237 6.171 445 HB3 GLN 60 2HB GLN 60 7.366 -1.648 6.634 446 HG2 GLN 60 1HG GLN 60 9.212 -3.106 6.184 447 HG3 GLN 60 2HG GLN 60 10.154 -1.775 5.513 448 HE21 GLN 60 1HE2 GLN 60 10.611 0.030 7.016 449 HE22 GLN 60 2HE2 GLN 60 10.941 -0.357 8.667 450 H ARG 61 H ARG 61 8.807 -2.873 2.800 451 HA ARG 61 HA ARG 61 7.039 -4.928 2.350 452 HB2 ARG 61 1HB ARG 61 9.104 -4.536 1.048 453 HB3 ARG 61 2HB ARG 61 10.054 -5.148 2.397 454 HG2 ARG 61 1HG ARG 61 9.482 -7.316 2.001 455 HG3 ARG 61 2HG ARG 61 7.920 -6.892 1.297 456 HD2 ARG 61 1HD ARG 61 9.222 -7.678 -0.498 457 HD3 ARG 61 2HD ARG 61 9.228 -5.921 -0.649 458 HE ARG 61 HE ARG 61 11.486 -5.930 -0.271 459 HH11 ARG 61 2HH1 ARG 61 10.158 -9.012 0.654 460 HH12 ARG 61 1HH1 ARG 61 11.706 -9.749 0.911 461 HH21 ARG 61 2HH2 ARG 61 13.529 -6.888 0.064 462 HH22 ARG 61 1HH2 ARG 61 13.622 -8.539 0.576 463 H LEU 62 H LEU 62 6.336 -6.649 3.448 464 HA LEU 62 HA LEU 62 7.370 -7.097 6.130 465 HB2 LEU 62 1HB LEU 62 4.927 -7.957 4.636 466 HB3 LEU 62 2HB LEU 62 5.411 -8.807 6.102 467 HG LEU 62 HG LEU 62 4.800 -5.856 5.945 468 HD11 LEU 62 1HD1 LEU 62 3.022 -8.024 5.900 469 HD12 LEU 62 2HD1 LEU 62 2.648 -6.325 6.182 470 HD13 LEU 62 3HD1 LEU 62 2.986 -7.390 7.546 471 HD21 LEU 62 1HD2 LEU 62 4.681 -6.160 8.453 472 HD22 LEU 62 2HD2 LEU 62 6.291 -6.228 7.737 473 HD23 LEU 62 3HD2 LEU 62 5.471 -7.717 8.210 474 H SER 63 H SER 63 8.415 -8.899 6.810 475 HA SER 63 HA SER 63 9.077 -10.896 4.747 476 HB2 SER 63 1HB SER 63 10.932 -9.408 5.749 477 HB3 SER 63 2HB SER 63 10.737 -10.380 7.207 478 HG SER 63 HG SER 63 11.168 -11.546 4.668 479 H GLY 64 H GLY 64 8.700 -10.547 8.278 480 HA2 GLY 64 1HA GLY 64 7.330 -13.143 8.307 481 HA3 GLY 64 2HA GLY 64 8.723 -12.920 9.356 482 HA PRO 65 HA PRO 65 4.647 -11.409 11.303 483 HB2 PRO 65 1HB PRO 65 4.235 -13.474 13.016 484 HB3 PRO 65 2HB PRO 65 3.563 -13.433 11.382 485 HG2 PRO 65 1HG PRO 65 6.000 -14.847 12.392 486 HG3 PRO 65 2HG PRO 65 4.747 -15.432 11.283 487 HD2 PRO 65 1HD PRO 65 7.150 -14.532 10.420 488 HD3 PRO 65 2HD PRO 65 5.662 -14.339 9.472 489 H SER 66 H SER 66 5.903 -9.821 12.298 490 HA SER 66 HA SER 66 7.434 -10.630 14.671 491 HB2 SER 66 1HB SER 66 8.526 -8.457 14.533 492 HB3 SER 66 2HB SER 66 8.617 -9.262 12.966 493 HG SER 66 HG SER 66 7.280 -6.963 13.703 494 H SER 67 H SER 67 7.340 -9.065 16.530 495 HA SER 67 HA SER 67 4.547 -8.230 16.955 496 HB2 SER 67 1HB SER 67 5.692 -10.094 18.397 497 HB3 SER 67 2HB SER 67 6.459 -8.732 19.212 498 HG SER 67 HG SER 67 4.633 -8.944 20.327 499 H GLY 68 H GLY 68 4.400 -6.100 16.618 500 HA2 GLY 68 1HA GLY 68 4.620 -3.877 17.324 501 HA3 GLY 68 2HA GLY 68 6.045 -4.334 18.245 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -11.321 -23.213 -8.601 2 HA2 GLY 1 1HA GLY 1 -9.429 -22.334 -6.590 3 HA3 GLY 1 2HA GLY 1 -9.239 -22.206 -8.333 4 H SER 2 H SER 2 -9.854 -20.528 -5.495 5 HA SER 2 HA SER 2 -10.714 -18.167 -7.033 6 HB2 SER 2 1HB SER 2 -11.624 -19.067 -4.297 7 HB3 SER 2 2HB SER 2 -11.867 -17.425 -4.891 8 HG SER 2 HG SER 2 -12.778 -18.780 -6.814 9 H SER 3 H SER 3 -8.961 -16.922 -7.172 10 HA SER 3 HA SER 3 -7.111 -15.719 -6.612 11 HB2 SER 3 1HB SER 3 -8.816 -14.638 -5.127 12 HB3 SER 3 2HB SER 3 -8.303 -15.716 -3.830 13 HG SER 3 HG SER 3 -7.306 -13.482 -4.093 14 H GLY 4 H GLY 4 -6.757 -18.496 -6.611 15 HA2 GLY 4 1HA GLY 4 -5.613 -19.668 -4.392 16 HA3 GLY 4 2HA GLY 4 -5.128 -20.015 -6.045 17 H SER 5 H SER 5 -3.764 -18.048 -6.979 18 HA SER 5 HA SER 5 -1.270 -18.132 -5.886 19 HB2 SER 5 1HB SER 5 -0.701 -16.204 -7.223 20 HB3 SER 5 2HB SER 5 -1.871 -17.169 -8.123 21 HG SER 5 HG SER 5 -2.060 -14.618 -7.292 22 H SER 6 H SER 6 0.020 -16.572 -4.720 23 HA SER 6 HA SER 6 -1.556 -14.967 -2.815 24 HB2 SER 6 1HB SER 6 0.687 -16.888 -2.346 25 HB3 SER 6 2HB SER 6 0.539 -15.486 -1.287 26 HG SER 6 HG SER 6 -1.604 -16.160 -0.836 27 H GLY 7 H GLY 7 -1.235 -12.899 -3.332 28 HA2 GLY 7 1HA GLY 7 1.214 -12.002 -4.565 29 HA3 GLY 7 2HA GLY 7 -0.175 -11.007 -4.153 30 H ASN 8 H ASN 8 2.359 -10.057 -3.739 31 HA ASN 8 HA ASN 8 3.256 -10.545 -1.066 32 HB2 ASN 8 1HB ASN 8 3.940 -8.336 -3.018 33 HB3 ASN 8 2HB ASN 8 4.764 -8.609 -1.486 34 HD21 ASN 8 1HD2 ASN 8 5.998 -8.612 -4.015 35 HD22 ASN 8 2HD2 ASN 8 6.620 -10.198 -4.304 36 H THR 9 H THR 9 2.826 -9.451 0.776 37 HA THR 9 HA THR 9 0.749 -7.376 0.625 38 HB THR 9 HB THR 9 0.457 -7.879 3.098 39 HG1 THR 9 1HG THR 9 1.693 -10.354 2.590 40 HG21 THR 9 1HG2 THR 9 -0.446 -9.304 0.789 41 HG22 THR 9 2HG2 THR 9 -1.296 -8.999 2.303 42 HG23 THR 9 3HG2 THR 9 -0.282 -10.431 2.134 43 H TYR 10 H TYR 10 0.973 -5.430 1.700 44 HA TYR 10 HA TYR 10 3.551 -4.894 2.997 45 HB2 TYR 10 1HB TYR 10 2.284 -3.271 0.788 46 HB3 TYR 10 2HB TYR 10 3.565 -2.653 1.825 47 HD1 TYR 10 2HD TYR 10 2.853 -5.639 -0.313 48 HD2 TYR 10 1HD TYR 10 5.730 -2.816 1.049 49 HE1 TYR 10 2HE TYR 10 4.533 -6.642 -1.803 50 HE2 TYR 10 1HE TYR 10 7.418 -3.810 -0.438 51 HH TYR 10 HH TYR 10 7.803 -5.290 -2.058 52 H VAL 11 H VAL 11 3.416 -3.699 4.804 53 HA VAL 11 HA VAL 11 0.759 -2.783 5.618 54 HB VAL 11 HB VAL 11 1.982 -4.261 7.162 55 HG11 VAL 11 1HG1 VAL 11 3.880 -2.810 8.412 56 HG12 VAL 11 2HG1 VAL 11 4.217 -3.957 7.114 57 HG13 VAL 11 3HG1 VAL 11 4.082 -2.234 6.758 58 HG21 VAL 11 1HG2 VAL 11 1.770 -2.821 9.187 59 HG22 VAL 11 2HG2 VAL 11 1.523 -1.439 8.120 60 HG23 VAL 11 3HG2 VAL 11 0.367 -2.771 8.119 61 H ALA 12 H ALA 12 0.371 -0.700 6.401 62 HA ALA 12 HA ALA 12 2.040 1.346 5.212 63 HB1 ALA 12 1HB ALA 12 -0.100 1.999 4.871 64 HB2 ALA 12 2HB ALA 12 -0.692 1.213 6.335 65 HB3 ALA 12 3HB ALA 12 0.136 2.766 6.442 66 H LEU 13 H LEU 13 3.415 2.664 6.250 67 HA LEU 13 HA LEU 13 3.903 2.174 9.075 68 HB2 LEU 13 1HB LEU 13 5.415 3.970 7.188 69 HB3 LEU 13 2HB LEU 13 5.948 3.395 8.766 70 HG LEU 13 HG LEU 13 5.390 1.449 6.560 71 HD11 LEU 13 1HD1 LEU 13 6.898 2.657 5.354 72 HD12 LEU 13 2HD1 LEU 13 8.010 1.671 6.303 73 HD13 LEU 13 3HD1 LEU 13 7.674 3.334 6.786 74 HD21 LEU 13 1HD2 LEU 13 6.442 -0.043 7.880 75 HD22 LEU 13 2HD2 LEU 13 6.006 1.089 9.160 76 HD23 LEU 13 3HD2 LEU 13 7.623 1.135 8.455 77 H TYR 14 H TYR 14 2.869 4.775 6.943 78 HA TYR 14 HA TYR 14 2.048 6.299 9.318 79 HB2 TYR 14 1HB TYR 14 3.087 7.694 6.867 80 HB3 TYR 14 2HB TYR 14 2.893 8.328 8.498 81 HD1 TYR 14 2HD TYR 14 4.494 7.644 10.281 82 HD2 TYR 14 1HD TYR 14 5.088 6.593 6.201 83 HE1 TYR 14 2HE TYR 14 6.855 7.149 10.758 84 HE2 TYR 14 1HE TYR 14 7.451 6.093 6.667 85 HH TYR 14 HH TYR 14 8.792 6.449 9.940 86 H LYS 15 H LYS 15 0.290 7.785 8.945 87 HA LYS 15 HA LYS 15 -1.696 6.682 7.201 88 HB2 LYS 15 1HB LYS 15 -2.359 7.542 9.363 89 HB3 LYS 15 2HB LYS 15 -1.710 9.130 8.974 90 HG2 LYS 15 1HG LYS 15 -3.434 9.609 7.489 91 HG3 LYS 15 2HG LYS 15 -3.889 7.912 7.322 92 HD2 LYS 15 1HD LYS 15 -4.892 7.864 9.452 93 HD3 LYS 15 2HD LYS 15 -4.122 9.377 9.937 94 HE2 LYS 15 1HE LYS 15 -5.554 10.664 8.622 95 HE3 LYS 15 2HE LYS 15 -6.028 9.289 7.626 96 HZ1 LYS 15 1HZ LYS 15 -7.575 8.635 9.106 97 HZ2 LYS 15 2HZ LYS 15 -7.537 10.259 9.575 98 HZ3 LYS 15 3HZ LYS 15 -6.669 9.105 10.455 99 H PHE 16 H PHE 16 -2.123 7.233 5.170 100 HA PHE 16 HA PHE 16 -0.811 9.598 4.052 101 HB2 PHE 16 1HB PHE 16 -0.528 7.337 2.977 102 HB3 PHE 16 2HB PHE 16 -2.238 7.389 2.564 103 HD1 PHE 16 2HD PHE 16 -3.044 9.355 1.140 104 HD2 PHE 16 1HD PHE 16 1.054 8.291 1.575 105 HE1 PHE 16 2HE PHE 16 -2.509 10.588 -0.921 106 HE2 PHE 16 1HE PHE 16 1.596 9.524 -0.485 107 HZ PHE 16 HZ PHE 16 -0.187 10.673 -1.736 108 H VAL 17 H VAL 17 -1.926 11.159 2.863 109 HA VAL 17 HA VAL 17 -4.855 11.144 3.203 110 HB VAL 17 HB VAL 17 -3.018 13.537 3.373 111 HG11 VAL 17 1HG1 VAL 17 -5.735 13.952 4.253 112 HG12 VAL 17 2HG1 VAL 17 -4.782 14.861 3.078 113 HG13 VAL 17 3HG1 VAL 17 -5.683 13.433 2.568 114 HG21 VAL 17 1HG2 VAL 17 -4.479 11.919 5.430 115 HG22 VAL 17 2HG2 VAL 17 -2.793 12.437 5.415 116 HG23 VAL 17 3HG2 VAL 17 -4.073 13.610 5.723 117 HA PRO 18 HA PRO 18 -4.298 11.408 -1.290 118 HB2 PRO 18 1HB PRO 18 -6.814 10.560 -1.859 119 HB3 PRO 18 2HB PRO 18 -5.492 9.453 -1.468 120 HG2 PRO 18 1HG PRO 18 -7.686 10.480 0.291 121 HG3 PRO 18 2HG PRO 18 -7.033 8.836 0.161 122 HD2 PRO 18 1HD PRO 18 -6.334 10.528 2.156 123 HD3 PRO 18 2HD PRO 18 -5.216 9.318 1.496 124 H GLN 19 H GLN 19 -4.311 13.475 -1.954 125 HA GLN 19 HA GLN 19 -6.244 15.393 -1.153 126 HB2 GLN 19 1HB GLN 19 -4.126 15.400 -3.300 127 HB3 GLN 19 2HB GLN 19 -5.176 16.779 -3.001 128 HG2 GLN 19 1HG GLN 19 -4.343 16.589 -0.565 129 HG3 GLN 19 2HG GLN 19 -3.044 15.621 -1.260 130 HE21 GLN 19 1HE2 GLN 19 -1.348 16.635 -2.101 131 HE22 GLN 19 2HE2 GLN 19 -1.242 18.334 -2.394 132 H GLU 20 H GLU 20 -5.789 13.468 -4.084 133 HA GLU 20 HA GLU 20 -8.445 14.367 -4.993 134 HB2 GLU 20 1HB GLU 20 -6.014 13.563 -6.587 135 HB3 GLU 20 2HB GLU 20 -7.618 13.693 -7.295 136 HG2 GLU 20 1HG GLU 20 -6.290 15.695 -7.692 137 HG3 GLU 20 2HG GLU 20 -7.715 16.043 -6.714 138 H ASN 21 H ASN 21 -9.110 12.576 -6.835 139 HA ASN 21 HA ASN 21 -9.585 10.193 -5.268 140 HB2 ASN 21 1HB ASN 21 -10.688 11.368 -7.771 141 HB3 ASN 21 2HB ASN 21 -10.807 9.621 -7.578 142 HD21 ASN 21 1HD2 ASN 21 -12.227 8.779 -6.135 143 HD22 ASN 21 2HD2 ASN 21 -13.350 9.727 -5.227 144 H GLU 22 H GLU 22 -6.868 10.627 -6.094 145 HA GLU 22 HA GLU 22 -6.499 8.313 -7.883 146 HB2 GLU 22 1HB GLU 22 -4.606 10.643 -7.530 147 HB3 GLU 22 2HB GLU 22 -4.423 9.304 -8.655 148 HG2 GLU 22 1HG GLU 22 -6.525 11.454 -8.724 149 HG3 GLU 22 2HG GLU 22 -5.183 11.236 -9.846 150 H ASP 23 H ASP 23 -5.303 10.047 -5.054 151 HA ASP 23 HA ASP 23 -3.298 8.120 -4.403 152 HB2 ASP 23 1HB ASP 23 -4.481 10.512 -3.065 153 HB3 ASP 23 2HB ASP 23 -3.589 9.360 -2.074 154 H LEU 24 H LEU 24 -3.306 6.882 -2.351 155 HA LEU 24 HA LEU 24 -5.972 5.731 -1.861 156 HB2 LEU 24 1HB LEU 24 -4.686 4.032 -2.795 157 HB3 LEU 24 2HB LEU 24 -3.232 4.530 -1.933 158 HG LEU 24 HG LEU 24 -4.322 3.715 0.179 159 HD11 LEU 24 1HD1 LEU 24 -6.537 3.415 0.009 160 HD12 LEU 24 2HD1 LEU 24 -6.102 1.842 -0.660 161 HD13 LEU 24 3HD1 LEU 24 -6.475 3.186 -1.739 162 HD21 LEU 24 1HD2 LEU 24 -4.173 1.215 -0.698 163 HD22 LEU 24 2HD2 LEU 24 -2.741 2.227 -0.502 164 HD23 LEU 24 3HD2 LEU 24 -3.462 2.018 -2.098 165 H GLU 25 H GLU 25 -6.816 6.132 0.065 166 HA GLU 25 HA GLU 25 -5.306 7.365 2.151 167 HB2 GLU 25 1HB GLU 25 -7.793 7.685 1.608 168 HB3 GLU 25 2HB GLU 25 -8.053 6.170 2.462 169 HG2 GLU 25 1HG GLU 25 -7.488 7.065 4.505 170 HG3 GLU 25 2HG GLU 25 -6.536 8.365 3.790 171 H MET 26 H MET 26 -3.830 6.196 3.213 172 HA MET 26 HA MET 26 -4.646 3.556 4.239 173 HB2 MET 26 1HB MET 26 -1.992 3.338 4.356 174 HB3 MET 26 2HB MET 26 -2.905 2.913 2.914 175 HG2 MET 26 1HG MET 26 -2.485 5.284 2.125 176 HG3 MET 26 2HG MET 26 -1.320 5.403 3.442 177 HE1 MET 26 1HE MET 26 1.612 4.863 1.455 178 HE2 MET 26 2HE MET 26 0.657 5.769 2.629 179 HE3 MET 26 3HE MET 26 1.372 4.220 3.079 180 H ARG 27 H ARG 27 -3.571 2.924 6.284 181 HA ARG 27 HA ARG 27 -2.833 5.219 7.961 182 HB2 ARG 27 1HB ARG 27 -4.177 4.025 9.814 183 HB3 ARG 27 2HB ARG 27 -5.057 4.963 8.616 184 HG2 ARG 27 1HG ARG 27 -5.185 2.635 7.387 185 HG3 ARG 27 2HG ARG 27 -4.954 2.025 9.027 186 HD2 ARG 27 1HD ARG 27 -7.055 4.058 8.313 187 HD3 ARG 27 2HD ARG 27 -7.349 2.320 8.270 188 HE ARG 27 HE ARG 27 -6.296 3.294 10.771 189 HH11 ARG 27 2HH1 ARG 27 -9.156 2.635 8.899 190 HH12 ARG 27 1HH1 ARG 27 -10.188 2.493 10.284 191 HH21 ARG 27 2HH2 ARG 27 -7.644 3.110 12.602 192 HH22 ARG 27 1HH2 ARG 27 -9.327 2.764 12.390 193 HA PRO 28 HA PRO 28 0.404 2.687 9.499 194 HB2 PRO 28 1HB PRO 28 0.580 3.520 12.077 195 HB3 PRO 28 2HB PRO 28 1.106 4.509 10.710 196 HG2 PRO 28 1HG PRO 28 -1.451 4.628 12.262 197 HG3 PRO 28 2HG PRO 28 -0.424 5.958 11.694 198 HD2 PRO 28 1HD PRO 28 -2.690 5.217 10.410 199 HD3 PRO 28 2HD PRO 28 -1.278 5.871 9.555 200 H GLY 29 H GLY 29 -0.570 0.620 9.376 201 HA2 GLY 29 1HA GLY 29 -0.531 -1.222 11.124 202 HA3 GLY 29 2HA GLY 29 -1.836 -0.315 11.874 203 H ASP 30 H ASP 30 -1.940 -0.153 8.504 204 HA ASP 30 HA ASP 30 -4.153 -2.079 8.473 205 HB2 ASP 30 1HB ASP 30 -3.515 0.390 6.937 206 HB3 ASP 30 2HB ASP 30 -4.423 -0.872 6.109 207 H ILE 31 H ILE 31 -4.441 -3.347 6.450 208 HA ILE 31 HA ILE 31 -1.832 -4.350 5.535 209 HB ILE 31 HB ILE 31 -4.512 -5.744 5.492 210 HG12 ILE 31 1HG1 ILE 31 -3.575 -5.405 7.770 211 HG13 ILE 31 2HG1 ILE 31 -3.657 -7.102 7.310 212 HG21 ILE 31 1HG2 ILE 31 -2.361 -7.553 5.260 213 HG22 ILE 31 2HG2 ILE 31 -3.590 -7.163 4.059 214 HG23 ILE 31 3HG2 ILE 31 -2.076 -6.259 4.096 215 HD11 ILE 31 1HD1 ILE 31 -1.516 -7.308 7.803 216 HD12 ILE 31 2HD1 ILE 31 -1.120 -6.152 6.531 217 HD13 ILE 31 3HD1 ILE 31 -1.415 -5.587 8.175 218 H ILE 32 H ILE 32 -1.242 -3.944 3.516 219 HA ILE 32 HA ILE 32 -3.335 -3.293 1.545 220 HB ILE 32 HB ILE 32 -0.478 -2.317 1.646 221 HG12 ILE 32 1HG1 ILE 32 -2.879 -0.537 1.697 222 HG13 ILE 32 2HG1 ILE 32 -2.418 -1.371 3.177 223 HG21 ILE 32 1HG2 ILE 32 -1.310 -0.844 -0.266 224 HG22 ILE 32 2HG2 ILE 32 -0.978 -2.536 -0.632 225 HG23 ILE 32 3HG2 ILE 32 -2.640 -1.992 -0.410 226 HD11 ILE 32 1HD1 ILE 32 -0.968 0.745 1.664 227 HD12 ILE 32 2HD1 ILE 32 -1.314 0.628 3.390 228 HD13 ILE 32 3HD1 ILE 32 -0.066 -0.388 2.669 229 H THR 33 H THR 33 -3.257 -4.221 -0.470 230 HA THR 33 HA THR 33 -1.366 -6.457 -0.761 231 HB THR 33 HB THR 33 -4.068 -6.071 -2.064 232 HG1 THR 33 1HG THR 33 -4.301 -8.131 -0.674 233 HG21 THR 33 1HG2 THR 33 -3.593 -8.616 -2.519 234 HG22 THR 33 2HG2 THR 33 -1.909 -8.106 -2.394 235 HG23 THR 33 3HG2 THR 33 -2.963 -7.378 -3.605 236 H LEU 34 H LEU 34 0.267 -6.042 -2.090 237 HA LEU 34 HA LEU 34 0.349 -3.901 -3.913 238 HB2 LEU 34 1HB LEU 34 2.231 -5.380 -2.807 239 HB3 LEU 34 2HB LEU 34 2.077 -6.294 -4.307 240 HG LEU 34 HG LEU 34 2.637 -4.284 -5.588 241 HD11 LEU 34 1HD1 LEU 34 2.434 -3.034 -2.913 242 HD12 LEU 34 2HD1 LEU 34 2.022 -2.392 -4.503 243 HD13 LEU 34 3HD1 LEU 34 3.706 -2.445 -3.984 244 HD21 LEU 34 1HD2 LEU 34 4.373 -5.701 -3.798 245 HD22 LEU 34 2HD2 LEU 34 4.946 -4.047 -4.010 246 HD23 LEU 34 3HD2 LEU 34 4.700 -5.083 -5.417 247 H LEU 35 H LEU 35 -0.406 -3.695 -5.915 248 HA LEU 35 HA LEU 35 -1.248 -6.131 -7.343 249 HB2 LEU 35 1HB LEU 35 -2.356 -3.387 -7.840 250 HB3 LEU 35 2HB LEU 35 -3.031 -4.946 -8.309 251 HG LEU 35 HG LEU 35 -2.783 -4.253 -5.412 252 HD11 LEU 35 1HD1 LEU 35 -4.590 -2.882 -5.360 253 HD12 LEU 35 2HD1 LEU 35 -5.313 -3.592 -6.803 254 HD13 LEU 35 3HD1 LEU 35 -3.978 -2.449 -6.957 255 HD21 LEU 35 1HD2 LEU 35 -3.410 -6.511 -5.963 256 HD22 LEU 35 2HD2 LEU 35 -4.677 -5.936 -7.047 257 HD23 LEU 35 3HD2 LEU 35 -4.814 -5.668 -5.308 258 H GLU 36 H GLU 36 -0.230 -2.766 -7.960 259 HA GLU 36 HA GLU 36 1.096 -3.716 -10.411 260 HB2 GLU 36 1HB GLU 36 -0.776 -1.842 -10.352 261 HB3 GLU 36 2HB GLU 36 0.586 -0.817 -9.922 262 HG2 GLU 36 1HG GLU 36 0.085 -0.832 -12.336 263 HG3 GLU 36 2HG GLU 36 1.722 -1.364 -11.956 264 H ASP 37 H ASP 37 3.155 -4.157 -9.898 265 HA ASP 37 HA ASP 37 4.642 -2.181 -8.298 266 HB2 ASP 37 1HB ASP 37 6.180 -3.954 -7.707 267 HB3 ASP 37 2HB ASP 37 4.535 -4.482 -7.360 268 H SER 38 H SER 38 4.090 -1.904 -11.123 269 HA SER 38 HA SER 38 6.407 -2.641 -12.619 270 HB2 SER 38 1HB SER 38 4.043 -2.125 -13.507 271 HB3 SER 38 2HB SER 38 4.507 -0.429 -13.380 272 HG SER 38 HG SER 38 6.485 -1.379 -14.619 273 H ASN 39 H ASN 39 5.482 0.109 -10.694 274 HA ASN 39 HA ASN 39 7.666 1.750 -11.668 275 HB2 ASN 39 1HB ASN 39 5.589 2.185 -9.515 276 HB3 ASN 39 2HB ASN 39 6.845 3.356 -9.907 277 HD21 ASN 39 1HD2 ASN 39 4.029 3.749 -10.074 278 HD22 ASN 39 2HD2 ASN 39 3.652 4.079 -11.728 279 H GLU 40 H GLU 40 8.732 2.984 -9.584 280 HA GLU 40 HA GLU 40 9.851 0.844 -7.895 281 HB2 GLU 40 1HB GLU 40 11.306 3.219 -9.071 282 HB3 GLU 40 2HB GLU 40 12.004 2.058 -7.950 283 HG2 GLU 40 1HG GLU 40 12.759 1.370 -10.037 284 HG3 GLU 40 2HG GLU 40 11.414 0.286 -9.684 285 H ASP 41 H ASP 41 9.647 4.399 -8.113 286 HA ASP 41 HA ASP 41 10.048 4.920 -5.400 287 HB2 ASP 41 1HB ASP 41 8.346 6.567 -7.278 288 HB3 ASP 41 2HB ASP 41 9.188 7.128 -5.837 289 H TRP 42 H TRP 42 6.911 5.314 -7.040 290 HA TRP 42 HA TRP 42 5.589 4.606 -4.521 291 HB2 TRP 42 1HB TRP 42 4.549 5.981 -7.006 292 HB3 TRP 42 2HB TRP 42 3.554 5.573 -5.611 293 HD1 TRP 42 HD TRP 42 7.056 7.249 -5.691 294 HE1 TRP 42 1HE TRP 42 6.897 9.469 -4.397 295 HE3 TRP 42 3HE TRP 42 2.061 7.199 -4.605 296 HZ2 TRP 42 2HZ TRP 42 4.916 10.996 -3.089 297 HZ3 TRP 42 3HZ TRP 42 1.113 9.077 -3.328 298 HH2 TRP 42 HH TRP 42 2.513 10.935 -2.586 299 H TRP 43 H TRP 43 3.989 3.029 -4.407 300 HA TRP 43 HA TRP 43 3.807 1.236 -6.738 301 HB2 TRP 43 1HB TRP 43 4.086 0.524 -3.817 302 HB3 TRP 43 2HB TRP 43 3.576 -0.633 -5.043 303 HD1 TRP 43 HD TRP 43 5.730 0.518 -7.268 304 HE1 TRP 43 1HE TRP 43 8.184 -0.214 -7.010 305 HE3 TRP 43 3HE TRP 43 5.654 -0.852 -2.344 306 HZ2 TRP 43 2HZ TRP 43 9.865 -1.238 -4.986 307 HZ3 TRP 43 3HZ TRP 43 7.727 -1.698 -1.323 308 HH2 TRP 43 HH TRP 43 9.787 -1.887 -2.619 309 H LYS 44 H LYS 44 1.852 -0.093 -6.806 310 HA LYS 44 HA LYS 44 -0.440 1.343 -5.644 311 HB2 LYS 44 1HB LYS 44 -0.078 1.114 -8.215 312 HB3 LYS 44 2HB LYS 44 -0.653 -0.531 -7.978 313 HG2 LYS 44 1HG LYS 44 -2.628 0.664 -6.742 314 HG3 LYS 44 2HG LYS 44 -2.114 2.048 -7.710 315 HD2 LYS 44 1HD LYS 44 -2.459 0.848 -9.743 316 HD3 LYS 44 2HD LYS 44 -2.704 -0.669 -8.874 317 HE2 LYS 44 1HE LYS 44 -4.845 0.147 -9.556 318 HE3 LYS 44 2HE LYS 44 -4.716 0.352 -7.810 319 HZ1 LYS 44 1HZ LYS 44 -4.386 2.460 -9.873 320 HZ2 LYS 44 2HZ LYS 44 -4.090 2.689 -8.224 321 HZ3 LYS 44 3HZ LYS 44 -5.651 2.320 -8.759 322 H GLY 45 H GLY 45 -1.902 0.284 -4.410 323 HA2 GLY 45 1HA GLY 45 -1.829 -2.644 -4.317 324 HA3 GLY 45 2HA GLY 45 -1.513 -1.767 -2.827 325 H LYS 46 H LYS 46 -3.446 -3.197 -2.277 326 HA LYS 46 HA LYS 46 -5.900 -1.647 -2.774 327 HB2 LYS 46 1HB LYS 46 -5.899 -3.811 -4.010 328 HB3 LYS 46 2HB LYS 46 -5.742 -4.652 -2.474 329 HG2 LYS 46 1HG LYS 46 -7.890 -3.660 -1.757 330 HG3 LYS 46 2HG LYS 46 -8.053 -2.938 -3.359 331 HD2 LYS 46 1HD LYS 46 -9.289 -4.879 -3.579 332 HD3 LYS 46 2HD LYS 46 -7.713 -5.378 -4.199 333 HE2 LYS 46 1HE LYS 46 -7.172 -6.487 -2.171 334 HE3 LYS 46 2HE LYS 46 -8.547 -5.767 -1.333 335 HZ1 LYS 46 1HZ LYS 46 -9.563 -7.677 -1.824 336 HZ2 LYS 46 2HZ LYS 46 -8.440 -8.100 -3.016 337 HZ3 LYS 46 3HZ LYS 46 -9.718 -7.058 -3.391 338 H ILE 47 H ILE 47 -7.547 -1.895 -1.075 339 HA ILE 47 HA ILE 47 -6.531 -2.766 1.522 340 HB ILE 47 HB ILE 47 -7.760 -0.033 1.198 341 HG12 ILE 47 1HG1 ILE 47 -4.850 -0.831 1.371 342 HG13 ILE 47 2HG1 ILE 47 -5.639 0.038 0.059 343 HG21 ILE 47 1HG2 ILE 47 -6.542 -1.556 3.473 344 HG22 ILE 47 2HG2 ILE 47 -6.628 0.204 3.494 345 HG23 ILE 47 3HG2 ILE 47 -8.108 -0.749 3.388 346 HD11 ILE 47 1HD1 ILE 47 -4.470 1.675 1.224 347 HD12 ILE 47 2HD1 ILE 47 -6.128 1.840 1.805 348 HD13 ILE 47 3HD1 ILE 47 -4.924 1.014 2.795 349 H GLN 48 H GLN 48 -8.261 -2.740 3.202 350 HA GLN 48 HA GLN 48 -10.350 -4.295 2.779 351 HB2 GLN 48 1HB GLN 48 -10.276 -1.822 4.496 352 HB3 GLN 48 2HB GLN 48 -11.652 -2.918 4.505 353 HG2 GLN 48 1HG GLN 48 -8.835 -3.794 5.078 354 HG3 GLN 48 2HG GLN 48 -9.970 -3.276 6.323 355 HE21 GLN 48 1HE2 GLN 48 -9.061 -5.778 4.142 356 HE22 GLN 48 2HE2 GLN 48 -10.191 -6.964 4.688 357 H ASP 49 H ASP 49 -11.050 -0.805 2.813 358 HA ASP 49 HA ASP 49 -12.883 -1.242 0.548 359 HB2 ASP 49 1HB ASP 49 -14.162 0.753 1.697 360 HB3 ASP 49 2HB ASP 49 -14.421 -0.904 2.236 361 H ARG 50 H ARG 50 -10.048 -0.106 1.002 362 HA ARG 50 HA ARG 50 -10.505 2.394 -0.488 363 HB2 ARG 50 1HB ARG 50 -8.209 1.881 1.407 364 HB3 ARG 50 2HB ARG 50 -8.588 3.388 0.583 365 HG2 ARG 50 1HG ARG 50 -10.358 2.076 2.633 366 HG3 ARG 50 2HG ARG 50 -9.211 3.372 2.976 367 HD2 ARG 50 1HD ARG 50 -10.408 4.771 1.288 368 HD3 ARG 50 2HD ARG 50 -11.617 3.494 1.166 369 HE ARG 50 HE ARG 50 -11.232 4.337 3.860 370 HH11 ARG 50 2HH1 ARG 50 -12.791 5.175 0.862 371 HH12 ARG 50 1HH1 ARG 50 -14.056 6.081 1.623 372 HH21 ARG 50 2HH2 ARG 50 -12.893 5.528 4.873 373 HH22 ARG 50 1HH2 ARG 50 -14.113 6.282 3.904 374 H ILE 51 H ILE 51 -9.196 2.793 -2.240 375 HA ILE 51 HA ILE 51 -7.026 0.948 -2.851 376 HB ILE 51 HB ILE 51 -9.451 1.273 -4.613 377 HG12 ILE 51 1HG1 ILE 51 -9.017 -1.354 -4.537 378 HG13 ILE 51 2HG1 ILE 51 -8.245 -0.934 -3.012 379 HG21 ILE 51 1HG2 ILE 51 -6.658 0.534 -5.272 380 HG22 ILE 51 2HG2 ILE 51 -7.946 -0.400 -6.031 381 HG23 ILE 51 3HG2 ILE 51 -7.878 1.348 -6.252 382 HD11 ILE 51 1HD1 ILE 51 -10.392 -1.419 -2.358 383 HD12 ILE 51 2HD1 ILE 51 -10.461 0.333 -2.548 384 HD13 ILE 51 3HD1 ILE 51 -11.107 -0.717 -3.809 385 H GLY 52 H GLY 52 -5.528 1.746 -4.345 386 HA2 GLY 52 1HA GLY 52 -5.615 3.757 -6.121 387 HA3 GLY 52 2HA GLY 52 -5.552 4.636 -4.601 388 H PHE 53 H PHE 53 -3.537 5.475 -5.571 389 HA PHE 53 HA PHE 53 -1.296 3.596 -5.492 390 HB2 PHE 53 1HB PHE 53 -1.197 6.502 -6.299 391 HB3 PHE 53 2HB PHE 53 -0.026 5.240 -6.665 392 HD1 PHE 53 2HD PHE 53 -0.612 3.455 -8.291 393 HD2 PHE 53 1HD PHE 53 -3.091 6.857 -7.660 394 HE1 PHE 53 2HE PHE 53 -1.756 3.013 -10.424 395 HE2 PHE 53 1HE PHE 53 -4.240 6.420 -9.792 396 HZ PHE 53 HZ PHE 53 -3.571 4.496 -11.177 397 H PHE 54 H PHE 54 0.706 4.265 -4.408 398 HA PHE 54 HA PHE 54 0.649 6.305 -2.413 399 HB2 PHE 54 1HB PHE 54 0.810 4.815 -0.448 400 HB3 PHE 54 2HB PHE 54 -0.751 4.684 -1.252 401 HD1 PHE 54 2HD PHE 54 2.511 3.027 -0.770 402 HD2 PHE 54 1HD PHE 54 -1.495 2.637 -2.153 403 HE1 PHE 54 2HE PHE 54 2.812 0.592 -0.945 404 HE2 PHE 54 1HE PHE 54 -1.201 0.201 -2.329 405 HZ PHE 54 HZ PHE 54 0.955 -0.825 -1.726 406 HA PRO 55 HA PRO 55 4.996 5.887 -2.867 407 HB2 PRO 55 1HB PRO 55 5.855 6.890 -0.495 408 HB3 PRO 55 2HB PRO 55 5.176 7.901 -1.776 409 HG2 PRO 55 1HG PRO 55 3.860 6.831 0.691 410 HG3 PRO 55 2HG PRO 55 3.746 8.449 -0.026 411 HD2 PRO 55 1HD PRO 55 1.826 6.569 -0.360 412 HD3 PRO 55 2HD PRO 55 2.205 7.779 -1.603 413 H ALA 56 H ALA 56 6.715 4.557 -2.348 414 HA ALA 56 HA ALA 56 6.085 2.183 -0.871 415 HB1 ALA 56 1HB ALA 56 7.391 1.899 -2.827 416 HB2 ALA 56 2HB ALA 56 8.570 3.099 -2.298 417 HB3 ALA 56 3HB ALA 56 8.452 1.551 -1.461 418 H ASN 57 H ASN 57 7.950 5.086 -0.292 419 HA ASN 57 HA ASN 57 9.459 4.205 1.906 420 HB2 ASN 57 1HB ASN 57 8.572 6.875 0.891 421 HB3 ASN 57 2HB ASN 57 9.278 6.774 2.501 422 HD21 ASN 57 1HD2 ASN 57 11.329 7.299 2.480 423 HD22 ASN 57 2HD2 ASN 57 12.475 6.904 1.250 424 H PHE 58 H PHE 58 6.127 5.063 1.597 425 HA PHE 58 HA PHE 58 5.680 5.548 4.392 426 HB2 PHE 58 1HB PHE 58 3.933 5.285 1.973 427 HB3 PHE 58 2HB PHE 58 3.208 5.202 3.576 428 HD1 PHE 58 2HD PHE 58 5.971 7.305 2.224 429 HD2 PHE 58 1HD PHE 58 2.076 7.173 3.935 430 HE1 PHE 58 2HE PHE 58 5.938 9.763 2.330 431 HE2 PHE 58 1HE PHE 58 2.036 9.631 4.044 432 HZ PHE 58 HZ PHE 58 3.969 10.929 3.242 433 H VAL 59 H VAL 59 5.489 2.807 2.228 434 HA VAL 59 HA VAL 59 4.447 1.131 4.404 435 HB VAL 59 HB VAL 59 3.968 -0.551 2.710 436 HG11 VAL 59 1HG1 VAL 59 2.324 1.243 3.189 437 HG12 VAL 59 2HG1 VAL 59 2.956 2.142 1.808 438 HG13 VAL 59 3HG1 VAL 59 2.180 0.577 1.563 439 HG21 VAL 59 1HG2 VAL 59 5.880 0.865 1.202 440 HG22 VAL 59 2HG2 VAL 59 5.011 -0.602 0.749 441 HG23 VAL 59 3HG2 VAL 59 4.354 0.979 0.325 442 H GLN 60 H GLN 60 5.355 -1.157 4.404 443 HA GLN 60 HA GLN 60 8.200 -1.240 3.721 444 HB2 GLN 60 1HB GLN 60 8.098 -0.472 6.044 445 HB3 GLN 60 2HB GLN 60 7.096 -1.854 6.468 446 HG2 GLN 60 1HG GLN 60 8.970 -3.341 5.806 447 HG3 GLN 60 2HG GLN 60 9.964 -1.905 5.564 448 HE21 GLN 60 1HE2 GLN 60 11.368 -1.813 7.165 449 HE22 GLN 60 2HE2 GLN 60 11.008 -2.011 8.843 450 H ARG 61 H ARG 61 8.612 -3.049 2.653 451 HA ARG 61 HA ARG 61 6.873 -5.044 2.029 452 HB2 ARG 61 1HB ARG 61 9.364 -4.569 1.290 453 HB3 ARG 61 2HB ARG 61 9.724 -5.815 2.477 454 HG2 ARG 61 1HG ARG 61 7.847 -7.123 1.167 455 HG3 ARG 61 2HG ARG 61 8.318 -6.022 -0.129 456 HD2 ARG 61 1HD ARG 61 10.743 -6.769 0.576 457 HD3 ARG 61 2HD ARG 61 9.884 -8.175 1.206 458 HE ARG 61 HE ARG 61 8.958 -7.850 -1.356 459 HH11 ARG 61 2HH1 ARG 61 12.064 -8.334 0.140 460 HH12 ARG 61 1HH1 ARG 61 12.734 -9.174 -1.219 461 HH21 ARG 61 2HH2 ARG 61 9.828 -8.955 -3.152 462 HH22 ARG 61 1HH2 ARG 61 11.462 -9.526 -3.091 463 H LEU 62 H LEU 62 6.120 -6.898 2.913 464 HA LEU 62 HA LEU 62 6.830 -7.400 5.715 465 HB2 LEU 62 1HB LEU 62 4.399 -7.870 4.061 466 HB3 LEU 62 2HB LEU 62 4.702 -8.930 5.436 467 HG LEU 62 HG LEU 62 4.524 -5.930 5.655 468 HD11 LEU 62 1HD1 LEU 62 2.367 -6.394 5.037 469 HD12 LEU 62 2HD1 LEU 62 2.269 -6.654 6.779 470 HD13 LEU 62 3HD1 LEU 62 2.415 -8.033 5.689 471 HD21 LEU 62 1HD2 LEU 62 5.151 -8.110 7.476 472 HD22 LEU 62 2HD2 LEU 62 3.826 -7.097 8.050 473 HD23 LEU 62 3HD2 LEU 62 5.388 -6.372 7.664 474 H SER 63 H SER 63 8.644 -8.268 3.769 475 HA SER 63 HA SER 63 8.534 -10.713 2.667 476 HB2 SER 63 1HB SER 63 10.568 -9.210 2.860 477 HB3 SER 63 2HB SER 63 10.852 -9.932 4.443 478 HG SER 63 HG SER 63 10.514 -11.553 2.164 479 H GLY 64 H GLY 64 9.422 -10.233 6.094 480 HA2 GLY 64 1HA GLY 64 7.959 -11.810 7.538 481 HA3 GLY 64 2HA GLY 64 8.752 -13.054 6.584 482 HA PRO 65 HA PRO 65 11.228 -12.110 10.453 483 HB2 PRO 65 1HB PRO 65 11.180 -14.637 11.445 484 HB3 PRO 65 2HB PRO 65 9.933 -13.437 11.809 485 HG2 PRO 65 1HG PRO 65 9.892 -15.665 9.810 486 HG3 PRO 65 2HG PRO 65 8.615 -15.135 10.921 487 HD2 PRO 65 1HD PRO 65 8.643 -14.451 8.301 488 HD3 PRO 65 2HD PRO 65 7.982 -13.387 9.559 489 H SER 66 H SER 66 13.024 -11.817 9.079 490 HA SER 66 HA SER 66 14.278 -13.786 7.556 491 HB2 SER 66 1HB SER 66 14.857 -11.463 7.253 492 HB3 SER 66 2HB SER 66 15.436 -11.343 8.915 493 HG SER 66 HG SER 66 16.653 -12.446 6.679 494 H SER 67 H SER 67 15.304 -12.590 10.759 495 HA SER 67 HA SER 67 16.420 -15.267 11.286 496 HB2 SER 67 1HB SER 67 17.564 -12.624 12.225 497 HB3 SER 67 2HB SER 67 18.237 -14.224 12.540 498 HG SER 67 HG SER 67 19.163 -12.986 10.727 499 H GLY 68 H GLY 68 15.852 -16.217 13.158 500 HA2 GLY 68 1HA GLY 68 15.421 -15.449 15.627 501 HA3 GLY 68 2HA GLY 68 13.992 -14.749 14.881
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