NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
504765 | 2en0 | 10229 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -8.878 -15.723 7.512 2 HA2 GLY 1 1HA GLY 1 -7.654 -16.180 5.577 3 HA3 GLY 1 2HA GLY 1 -9.161 -16.305 4.681 4 H SER 2 H SER 2 -10.356 -13.917 5.059 5 HA SER 2 HA SER 2 -9.067 -12.246 3.236 6 HB2 SER 2 1HB SER 2 -10.750 -10.566 3.833 7 HB3 SER 2 2HB SER 2 -11.490 -12.160 3.689 8 HG SER 2 HG SER 2 -10.584 -11.241 6.188 9 H SER 3 H SER 3 -7.720 -10.525 3.406 10 HA SER 3 HA SER 3 -5.925 -10.323 5.493 11 HB2 SER 3 1HB SER 3 -5.380 -8.051 4.547 12 HB3 SER 3 2HB SER 3 -5.390 -9.355 3.360 13 HG SER 3 HG SER 3 -7.754 -8.597 3.170 14 H GLY 4 H GLY 4 -8.944 -8.557 4.990 15 HA2 GLY 4 1HA GLY 4 -9.506 -8.185 7.685 16 HA3 GLY 4 2HA GLY 4 -8.617 -6.761 7.164 17 H SER 5 H SER 5 -11.479 -8.724 6.479 18 HA SER 5 HA SER 5 -12.679 -6.467 5.050 19 HB2 SER 5 1HB SER 5 -12.735 -8.777 4.053 20 HB3 SER 5 2HB SER 5 -13.790 -9.262 5.380 21 HG SER 5 HG SER 5 -14.479 -8.108 3.114 22 H SER 6 H SER 6 -12.360 -6.044 7.759 23 HA SER 6 HA SER 6 -15.100 -5.625 8.560 24 HB2 SER 6 1HB SER 6 -14.332 -7.977 9.371 25 HB3 SER 6 2HB SER 6 -13.383 -7.078 10.554 26 HG SER 6 HG SER 6 -16.114 -6.505 10.206 27 H GLY 7 H GLY 7 -15.104 -3.564 9.147 28 HA2 GLY 7 1HA GLY 7 -14.330 -2.169 11.127 29 HA3 GLY 7 2HA GLY 7 -12.717 -2.489 10.509 30 H GLN 8 H GLN 8 -14.488 -0.008 10.849 31 HA GLN 8 HA GLN 8 -14.908 0.974 8.196 32 HB2 GLN 8 1HB GLN 8 -15.250 3.173 9.379 33 HB3 GLN 8 2HB GLN 8 -16.302 1.865 9.907 34 HG2 GLN 8 1HG GLN 8 -13.761 2.330 11.377 35 HG3 GLN 8 2HG GLN 8 -15.105 3.442 11.628 36 HE21 GLN 8 1HE2 GLN 8 -14.442 2.244 13.805 37 HE22 GLN 8 2HE2 GLN 8 -15.488 0.930 14.209 38 H LYS 9 H LYS 9 -13.417 1.717 6.855 39 HA LYS 9 HA LYS 9 -10.974 2.916 7.982 40 HB2 LYS 9 1HB LYS 9 -11.162 1.167 5.522 41 HB3 LYS 9 2HB LYS 9 -9.704 1.957 6.106 42 HG2 LYS 9 1HG LYS 9 -9.647 0.596 8.053 43 HG3 LYS 9 2HG LYS 9 -11.255 -0.052 7.719 44 HD2 LYS 9 1HD LYS 9 -10.285 -0.969 5.564 45 HD3 LYS 9 2HD LYS 9 -8.696 -0.554 6.213 46 HE2 LYS 9 1HE LYS 9 -8.840 -2.709 6.940 47 HE3 LYS 9 2HE LYS 9 -9.610 -1.899 8.303 48 HZ1 LYS 9 3HZ LYS 9 -11.260 -3.337 7.924 49 HZ2 LYS 9 1HZ LYS 9 -10.743 -3.696 6.354 50 HZ3 LYS 9 2HZ LYS 9 -11.683 -2.320 6.641 51 HA PRO 10 HA PRO 10 -12.870 6.129 5.357 52 HB2 PRO 10 1HB PRO 10 -11.774 8.192 6.741 53 HB3 PRO 10 2HB PRO 10 -13.257 7.376 7.248 54 HG2 PRO 10 1HG PRO 10 -10.455 6.996 8.231 55 HG3 PRO 10 2HG PRO 10 -11.963 7.090 9.159 56 HD2 PRO 10 1HD PRO 10 -10.753 4.738 8.579 57 HD3 PRO 10 2HD PRO 10 -12.516 4.895 8.723 58 H TYR 11 H TYR 11 -9.533 5.942 6.546 59 HA TYR 11 HA TYR 11 -8.463 7.606 4.487 60 HB2 TYR 11 1HB TYR 11 -6.956 5.610 6.180 61 HB3 TYR 11 2HB TYR 11 -6.306 7.030 5.368 62 HD1 TYR 11 HD1 TYR 11 -8.442 5.893 8.161 63 HD2 TYR 11 HD2 TYR 11 -6.405 9.179 6.384 64 HE1 TYR 11 HE1 TYR 11 -8.818 7.220 10.198 65 HE2 TYR 11 HE2 TYR 11 -6.774 10.514 8.416 66 HH TYR 11 HH TYR 11 -8.610 10.428 10.366 67 H VAL 12 H VAL 12 -8.970 6.847 2.474 68 HA VAL 12 HA VAL 12 -8.107 4.118 1.793 69 HB VAL 12 HB VAL 12 -9.979 5.965 0.305 70 HG11 VAL 12 1HG1 VAL 12 -8.815 4.613 -1.286 71 HG12 VAL 12 2HG1 VAL 12 -9.049 3.164 -0.305 72 HG13 VAL 12 3HG1 VAL 12 -10.431 3.938 -1.082 73 HG21 VAL 12 3HG2 VAL 12 -10.856 4.988 2.424 74 HG22 VAL 12 1HG2 VAL 12 -11.738 4.484 0.983 75 HG23 VAL 12 2HG2 VAL 12 -10.587 3.384 1.741 76 H CYS 13 H CYS 13 -6.622 3.747 0.212 77 HA CYS 13 HA CYS 13 -4.916 5.941 -0.523 78 HB2 CYS 13 1HB CYS 13 -4.296 3.450 0.016 79 HB3 CYS 13 2HB CYS 13 -4.650 3.193 -1.689 80 H ASN 14 H ASN 14 -5.010 7.119 -2.316 81 HA ASN 14 HA ASN 14 -6.989 6.497 -4.333 82 HB2 ASN 14 1HB ASN 14 -5.114 8.836 -3.950 83 HB3 ASN 14 2HB ASN 14 -6.212 8.696 -5.319 84 HD21 ASN 14 1HD2 ASN 14 -5.968 10.500 -2.872 85 HD22 ASN 14 2HD2 ASN 14 -7.576 10.545 -2.240 86 H GLU 15 H GLU 15 -3.907 5.509 -3.829 87 HA GLU 15 HA GLU 15 -3.034 5.637 -6.604 88 HB2 GLU 15 1HB GLU 15 -1.755 4.760 -4.036 89 HB3 GLU 15 2HB GLU 15 -1.059 4.286 -5.579 90 HG2 GLU 15 1HG GLU 15 0.115 6.197 -5.076 91 HG3 GLU 15 2HG GLU 15 -1.159 6.808 -6.130 92 H CYS 16 H CYS 16 -3.854 3.189 -4.169 93 HA CYS 16 HA CYS 16 -4.201 1.251 -6.363 94 HB2 CYS 16 1HB CYS 16 -3.675 -0.523 -4.710 95 HB3 CYS 16 2HB CYS 16 -2.332 0.587 -4.964 96 H GLY 17 H GLY 17 -5.392 2.367 -3.226 97 HA2 GLY 17 1HA GLY 17 -7.820 2.672 -3.041 98 HA3 GLY 17 2HA GLY 17 -7.998 1.149 -3.900 99 H LYS 18 H LYS 18 -5.571 1.554 -1.436 100 HA LYS 18 HA LYS 18 -6.846 -0.532 0.137 101 HB2 LYS 18 1HB LYS 18 -4.294 -0.247 -0.476 102 HB3 LYS 18 2HB LYS 18 -4.288 0.783 0.950 103 HG2 LYS 18 1HG LYS 18 -4.814 -0.977 2.377 104 HG3 LYS 18 2HG LYS 18 -5.408 -1.991 1.060 105 HD2 LYS 18 1HD LYS 18 -3.154 -2.260 0.210 106 HD3 LYS 18 2HD LYS 18 -2.531 -1.163 1.445 107 HE2 LYS 18 1HE LYS 18 -2.996 -2.695 3.178 108 HE3 LYS 18 2HE LYS 18 -4.015 -3.685 2.134 109 HZ1 LYS 18 3HZ LYS 18 -2.230 -4.917 1.751 110 HZ2 LYS 18 1HZ LYS 18 -1.214 -3.834 2.562 111 HZ3 LYS 18 2HZ LYS 18 -1.544 -3.614 0.918 112 H ALA 19 H ALA 19 -7.909 -0.221 1.992 113 HA ALA 19 HA ALA 19 -8.110 2.513 3.017 114 HB1 ALA 19 3HB ALA 19 -10.183 1.967 3.878 115 HB2 ALA 19 1HB ALA 19 -10.119 0.984 2.415 116 HB3 ALA 19 2HB ALA 19 -9.802 0.249 3.987 117 H PHE 20 H PHE 20 -7.650 3.069 5.118 118 HA PHE 20 HA PHE 20 -6.525 0.982 6.854 119 HB2 PHE 20 1HB PHE 20 -5.277 3.705 6.428 120 HB3 PHE 20 2HB PHE 20 -4.669 2.426 7.474 121 HD1 PHE 20 HD1 PHE 20 -5.351 3.291 3.939 122 HD2 PHE 20 HD2 PHE 20 -3.240 0.774 6.644 123 HE1 PHE 20 HE1 PHE 20 -4.021 2.403 2.069 124 HE2 PHE 20 HE2 PHE 20 -1.905 -0.117 4.779 125 HZ PHE 20 HZ PHE 20 -2.294 0.698 2.488 126 H GLY 21 H GLY 21 -7.760 0.927 8.609 127 HA2 GLY 21 1HA GLY 21 -9.629 2.743 9.447 128 HA3 GLY 21 2HA GLY 21 -8.799 1.641 10.536 129 H LEU 22 H LEU 22 -6.222 3.083 9.657 130 HA LEU 22 HA LEU 22 -6.561 5.406 11.437 131 HB2 LEU 22 1HB LEU 22 -4.478 3.305 11.282 132 HB3 LEU 22 2HB LEU 22 -3.938 4.945 11.639 133 HG LEU 22 HG LEU 22 -5.938 3.358 13.248 134 HD11 LEU 22 1HD1 LEU 22 -3.654 2.506 13.445 135 HD12 LEU 22 2HD1 LEU 22 -4.193 3.271 14.939 136 HD13 LEU 22 3HD1 LEU 22 -3.087 4.123 13.862 137 HD21 LEU 22 3HD2 LEU 22 -4.977 6.174 13.364 138 HD22 LEU 22 1HD2 LEU 22 -5.314 5.326 14.873 139 HD23 LEU 22 2HD2 LEU 22 -6.586 5.515 13.666 140 H LYS 23 H LYS 23 -5.167 7.236 11.026 141 HA LYS 23 HA LYS 23 -5.016 7.866 8.247 142 HB2 LYS 23 1HB LYS 23 -5.532 9.508 10.076 143 HB3 LYS 23 2HB LYS 23 -3.844 9.414 10.562 144 HG2 LYS 23 1HG LYS 23 -3.115 10.375 8.516 145 HG3 LYS 23 2HG LYS 23 -4.725 10.235 7.807 146 HD2 LYS 23 1HD LYS 23 -5.595 11.924 9.217 147 HD3 LYS 23 2HD LYS 23 -4.172 11.886 10.262 148 HE2 LYS 23 1HE LYS 23 -2.807 12.822 8.506 149 HE3 LYS 23 2HE LYS 23 -4.151 12.737 7.368 150 HZ1 LYS 23 3HZ LYS 23 -4.727 14.759 8.014 151 HZ2 LYS 23 1HZ LYS 23 -3.514 14.788 9.193 152 HZ3 LYS 23 2HZ LYS 23 -5.044 14.173 9.569 153 H SER 24 H SER 24 -2.453 7.947 10.730 154 HA SER 24 HA SER 24 -0.268 8.170 9.107 155 HB2 SER 24 1HB SER 24 -0.712 6.898 11.769 156 HB3 SER 24 2HB SER 24 0.829 6.609 10.963 157 HG SER 24 HG SER 24 1.287 8.740 11.043 158 H GLN 25 H GLN 25 -2.062 5.234 9.879 159 HA GLN 25 HA GLN 25 -0.383 3.302 8.859 160 HB2 GLN 25 1HB GLN 25 -3.394 3.479 8.826 161 HB3 GLN 25 2HB GLN 25 -2.519 2.044 8.308 162 HG2 GLN 25 1HG GLN 25 -2.450 3.288 11.048 163 HG3 GLN 25 2HG GLN 25 -3.274 1.799 10.588 164 HE21 GLN 25 1HE2 GLN 25 -0.787 2.783 12.274 165 HE22 GLN 25 2HE2 GLN 25 0.364 1.533 11.963 166 H LEU 26 H LEU 26 -2.649 5.385 7.123 167 HA LEU 26 HA LEU 26 -2.153 4.161 4.580 168 HB2 LEU 26 1HB LEU 26 -4.262 5.188 4.877 169 HB3 LEU 26 2HB LEU 26 -3.531 6.693 5.430 170 HG LEU 26 HG LEU 26 -2.594 6.926 3.077 171 HD11 LEU 26 1HD1 LEU 26 -3.900 4.381 2.838 172 HD12 LEU 26 2HD1 LEU 26 -2.858 5.218 1.689 173 HD13 LEU 26 3HD1 LEU 26 -4.593 5.534 1.698 174 HD21 LEU 26 3HD2 LEU 26 -5.518 6.992 2.785 175 HD22 LEU 26 1HD2 LEU 26 -4.325 8.278 2.601 176 HD23 LEU 26 2HD2 LEU 26 -4.886 7.820 4.209 177 H ILE 27 H ILE 27 -1.026 7.066 6.246 178 HA ILE 27 HA ILE 27 0.365 8.294 4.188 179 HB ILE 27 HB ILE 27 1.364 8.191 7.029 180 HG12 ILE 27 1HG1 ILE 27 -0.913 9.775 5.837 181 HG13 ILE 27 2HG1 ILE 27 -0.964 8.689 7.222 182 HG21 ILE 27 1HG2 ILE 27 1.476 10.388 4.968 183 HG22 ILE 27 2HG2 ILE 27 2.226 10.393 6.563 184 HG23 ILE 27 3HG2 ILE 27 2.795 9.274 5.326 185 HD11 ILE 27 3HD1 ILE 27 0.879 10.512 8.031 186 HD12 ILE 27 1HD1 ILE 27 -0.208 11.506 7.062 187 HD13 ILE 27 2HD1 ILE 27 -0.841 10.569 8.416 188 H ILE 28 H ILE 28 1.448 5.742 6.397 189 HA ILE 28 HA ILE 28 4.100 5.615 5.399 190 HB ILE 28 HB ILE 28 2.522 3.475 6.832 191 HG12 ILE 28 1HG1 ILE 28 4.586 5.181 8.155 192 HG13 ILE 28 2HG1 ILE 28 2.990 5.869 7.873 193 HG21 ILE 28 1HG2 ILE 28 4.957 2.866 7.529 194 HG22 ILE 28 2HG2 ILE 28 4.329 2.334 5.970 195 HG23 ILE 28 3HG2 ILE 28 5.394 3.737 6.059 196 HD11 ILE 28 3HD1 ILE 28 3.664 3.426 9.487 197 HD12 ILE 28 1HD1 ILE 28 3.044 4.968 10.074 198 HD13 ILE 28 2HD1 ILE 28 2.021 3.925 9.086 199 H HIS 29 H HIS 29 1.099 4.004 4.539 200 HA HIS 29 HA HIS 29 2.254 2.051 2.832 201 HB2 HIS 29 1HB HIS 29 0.045 1.662 3.672 202 HB3 HIS 29 2HB HIS 29 -0.539 3.188 3.015 203 HD1 HIS 29 HD1 HIS 29 0.579 -0.241 1.896 204 HD2 HIS 29 HD2 HIS 29 -1.453 3.072 0.428 205 HE1 HIS 29 HE1 HIS 29 -0.366 -0.960 -0.321 206 H GLU 30 H GLU 30 0.583 5.122 2.134 207 HA GLU 30 HA GLU 30 0.760 5.168 -0.596 208 HB2 GLU 30 1HB GLU 30 1.171 7.504 1.279 209 HB3 GLU 30 2HB GLU 30 0.792 7.633 -0.432 210 HG2 GLU 30 1HG GLU 30 -1.368 6.757 -0.130 211 HG3 GLU 30 2HG GLU 30 -0.993 6.186 1.495 212 H ARG 31 H ARG 31 3.331 5.393 1.682 213 HA ARG 31 HA ARG 31 5.276 6.768 0.251 214 HB2 ARG 31 1HB ARG 31 5.597 4.428 2.139 215 HB3 ARG 31 2HB ARG 31 6.917 5.448 1.581 216 HG2 ARG 31 1HG ARG 31 5.907 7.379 2.652 217 HG3 ARG 31 2HG ARG 31 4.541 6.391 3.171 218 HD2 ARG 31 1HD ARG 31 6.020 6.602 5.027 219 HD3 ARG 31 2HD ARG 31 6.165 4.954 4.418 220 HE ARG 31 HE ARG 31 8.360 5.375 3.982 221 HH11 ARG 31 1HH1 ARG 31 6.670 8.412 4.181 222 HH12 ARG 31 2HH1 ARG 31 8.105 9.370 4.027 223 HH21 ARG 31 1HH2 ARG 31 10.257 6.626 3.779 224 HH22 ARG 31 2HH2 ARG 31 10.145 8.353 3.798 225 H ILE 32 H ILE 32 4.198 3.435 -0.015 226 HA ILE 32 HA ILE 32 6.235 2.346 -1.543 227 HB ILE 32 HB ILE 32 4.704 0.681 -2.274 228 HG12 ILE 32 1HG1 ILE 32 2.451 2.532 -1.467 229 HG13 ILE 32 2HG1 ILE 32 2.974 2.257 -3.124 230 HG21 ILE 32 1HG2 ILE 32 4.654 1.636 0.460 231 HG22 ILE 32 2HG2 ILE 32 3.199 0.729 0.050 232 HG23 ILE 32 3HG2 ILE 32 4.786 -0.010 -0.159 233 HD11 ILE 32 3HD1 ILE 32 2.522 -0.251 -2.508 234 HD12 ILE 32 1HD1 ILE 32 1.478 0.471 -1.284 235 HD13 ILE 32 2HD1 ILE 32 1.209 0.822 -2.991 236 H HIS 33 H HIS 33 3.658 4.515 -2.481 237 HA HIS 33 HA HIS 33 4.266 4.238 -5.309 238 HB2 HIS 33 1HB HIS 33 2.360 6.178 -3.991 239 HB3 HIS 33 2HB HIS 33 2.405 5.719 -5.691 240 HD1 HIS 33 HD1 HIS 33 1.960 2.987 -6.032 241 HD2 HIS 33 HD2 HIS 33 0.509 4.804 -2.588 242 HE1 HIS 33 HE1 HIS 33 0.180 1.442 -5.155 243 H THR 34 H THR 34 4.540 6.671 -2.752 244 HA THR 34 HA THR 34 5.403 8.865 -4.125 245 HB THR 34 HB THR 34 6.599 9.578 -2.154 246 HG1 THR 34 HG1 THR 34 7.727 8.066 -1.193 247 HG21 THR 34 3HG2 THR 34 4.307 7.912 -1.140 248 HG22 THR 34 1HG2 THR 34 4.059 9.353 -2.127 249 HG23 THR 34 2HG2 THR 34 4.860 9.483 -0.561 250 H GLY 35 H GLY 35 7.338 6.046 -3.197 251 HA2 GLY 35 1HA GLY 35 9.023 6.038 -5.368 252 HA3 GLY 35 2HA GLY 35 9.792 7.112 -4.210 253 H GLU 36 H GLU 36 9.619 3.982 -5.268 254 HA GLU 36 HA GLU 36 10.432 2.875 -2.667 255 HB2 GLU 36 1HB GLU 36 8.520 1.825 -3.994 256 HB3 GLU 36 2HB GLU 36 9.745 1.290 -5.137 257 HG2 GLU 36 1HG GLU 36 10.030 0.650 -2.236 258 HG3 GLU 36 2HG GLU 36 8.948 -0.300 -3.253 259 H SER 37 H SER 37 12.572 3.121 -2.444 260 HA SER 37 HA SER 37 14.799 3.306 -3.050 261 HB2 SER 37 1HB SER 37 15.742 1.116 -3.505 262 HB3 SER 37 2HB SER 37 14.419 0.944 -2.352 263 HG SER 37 HG SER 37 13.105 0.493 -4.312 264 H GLY 38 H GLY 38 13.248 4.530 -5.027 265 HA2 GLY 38 1HA GLY 38 14.154 5.497 -7.032 266 HA3 GLY 38 2HA GLY 38 14.901 3.948 -7.394 267 HA PRO 39 HA PRO 39 10.806 4.519 -9.685 268 HB2 PRO 39 1HB PRO 39 11.840 4.633 -12.192 269 HB3 PRO 39 2HB PRO 39 11.588 6.067 -11.191 270 HG2 PRO 39 1HG PRO 39 14.101 4.516 -11.680 271 HG3 PRO 39 2HG PRO 39 13.863 6.272 -11.629 272 HD2 PRO 39 1HD PRO 39 14.886 4.880 -9.545 273 HD3 PRO 39 2HD PRO 39 13.895 6.336 -9.325 274 H SER 40 H SER 40 9.961 2.526 -9.613 275 HA SER 40 HA SER 40 11.032 0.089 -9.728 276 HB2 SER 40 1HB SER 40 8.921 -0.735 -10.810 277 HB3 SER 40 2HB SER 40 8.652 0.347 -9.444 278 HG SER 40 HG SER 40 7.361 0.813 -11.335 279 H SER 41 H SER 41 10.098 1.900 -12.646 280 HA SER 41 HA SER 41 11.012 -0.021 -14.493 281 HB2 SER 41 1HB SER 41 10.352 2.899 -14.650 282 HB3 SER 41 2HB SER 41 11.134 2.113 -16.021 283 HG SER 41 HG SER 41 9.337 1.104 -16.461 284 H GLY 42 H GLY 42 13.055 -0.755 -14.340 285 HA2 GLY 42 1HA GLY 42 15.222 0.482 -15.398 286 HA3 GLY 42 2HA GLY 42 15.258 1.006 -13.721 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -16.865 -15.431 13.178 2 HA2 GLY 1 1HA GLY 1 -17.240 -16.831 10.604 3 HA3 GLY 1 2HA GLY 1 -18.529 -16.521 11.758 4 H SER 2 H SER 2 -19.653 -15.593 9.914 5 HA SER 2 HA SER 2 -18.645 -12.962 9.089 6 HB2 SER 2 1HB SER 2 -19.299 -14.619 7.322 7 HB3 SER 2 2HB SER 2 -20.957 -14.525 7.917 8 HG SER 2 HG SER 2 -20.191 -13.078 6.087 9 H SER 3 H SER 3 -19.200 -11.969 11.109 10 HA SER 3 HA SER 3 -22.094 -11.515 11.432 11 HB2 SER 3 1HB SER 3 -20.803 -12.694 13.323 12 HB3 SER 3 2HB SER 3 -20.066 -11.120 13.626 13 HG SER 3 HG SER 3 -22.434 -10.425 13.605 14 H GLY 4 H GLY 4 -20.664 -10.032 9.575 15 HA2 GLY 4 1HA GLY 4 -20.713 -7.786 8.966 16 HA3 GLY 4 2HA GLY 4 -21.073 -7.369 10.635 17 H SER 5 H SER 5 -18.357 -9.114 9.132 18 HA SER 5 HA SER 5 -16.483 -7.650 10.770 19 HB2 SER 5 1HB SER 5 -16.259 -9.904 8.796 20 HB3 SER 5 2HB SER 5 -14.813 -9.051 9.339 21 HG SER 5 HG SER 5 -15.812 -11.022 10.553 22 H SER 6 H SER 6 -17.781 -5.837 9.232 23 HA SER 6 HA SER 6 -15.927 -5.192 7.043 24 HB2 SER 6 1HB SER 6 -18.697 -4.106 7.609 25 HB3 SER 6 2HB SER 6 -17.686 -3.665 6.232 26 HG SER 6 HG SER 6 -19.374 -5.446 6.049 27 H GLY 7 H GLY 7 -14.337 -4.464 8.616 28 HA2 GLY 7 1HA GLY 7 -14.711 -2.458 10.502 29 HA3 GLY 7 2HA GLY 7 -13.197 -2.770 9.665 30 H GLN 8 H GLN 8 -14.200 -0.214 10.488 31 HA GLN 8 HA GLN 8 -14.972 1.074 7.979 32 HB2 GLN 8 1HB GLN 8 -15.367 3.069 9.352 33 HB3 GLN 8 2HB GLN 8 -16.252 1.679 9.967 34 HG2 GLN 8 1HG GLN 8 -14.462 1.349 11.649 35 HG3 GLN 8 2HG GLN 8 -13.708 2.837 11.079 36 HE21 GLN 8 1HE2 GLN 8 -13.988 4.248 12.669 37 HE22 GLN 8 2HE2 GLN 8 -15.497 4.636 13.413 38 H LYS 9 H LYS 9 -13.473 1.904 6.699 39 HA LYS 9 HA LYS 9 -11.040 3.031 7.901 40 HB2 LYS 9 1HB LYS 9 -11.159 1.214 5.488 41 HB3 LYS 9 2HB LYS 9 -9.728 2.099 6.000 42 HG2 LYS 9 1HG LYS 9 -9.880 0.882 8.189 43 HG3 LYS 9 2HG LYS 9 -11.135 -0.121 7.458 44 HD2 LYS 9 1HD LYS 9 -9.284 -0.375 5.567 45 HD3 LYS 9 2HD LYS 9 -8.214 -0.034 6.928 46 HE2 LYS 9 1HE LYS 9 -8.748 -1.977 8.012 47 HE3 LYS 9 2HE LYS 9 -10.361 -2.057 7.303 48 HZ1 LYS 9 3HZ LYS 9 -8.880 -2.383 5.133 49 HZ2 LYS 9 1HZ LYS 9 -9.394 -3.677 6.095 50 HZ3 LYS 9 2HZ LYS 9 -7.831 -3.058 6.275 51 HA PRO 10 HA PRO 10 -12.832 6.247 5.230 52 HB2 PRO 10 1HB PRO 10 -11.680 8.299 6.583 53 HB3 PRO 10 2HB PRO 10 -13.178 7.523 7.109 54 HG2 PRO 10 1HG PRO 10 -10.379 7.090 8.078 55 HG3 PRO 10 2HG PRO 10 -11.878 7.228 9.015 56 HD2 PRO 10 1HD PRO 10 -10.726 4.843 8.453 57 HD3 PRO 10 2HD PRO 10 -12.483 5.042 8.606 58 H TYR 11 H TYR 11 -9.491 6.022 6.409 59 HA TYR 11 HA TYR 11 -8.405 7.625 4.310 60 HB2 TYR 11 1HB TYR 11 -6.938 5.651 6.066 61 HB3 TYR 11 2HB TYR 11 -6.247 7.012 5.190 62 HD1 TYR 11 HD1 TYR 11 -8.356 6.050 8.058 63 HD2 TYR 11 HD2 TYR 11 -6.326 9.226 6.086 64 HE1 TYR 11 HE1 TYR 11 -8.682 7.477 10.035 65 HE2 TYR 11 HE2 TYR 11 -6.645 10.662 8.057 66 HH TYR 11 HH TYR 11 -7.557 10.846 10.072 67 H VAL 12 H VAL 12 -8.886 6.845 2.307 68 HA VAL 12 HA VAL 12 -8.081 4.083 1.689 69 HB VAL 12 HB VAL 12 -9.895 5.920 0.119 70 HG11 VAL 12 1HG1 VAL 12 -9.831 4.466 -1.568 71 HG12 VAL 12 2HG1 VAL 12 -8.424 3.750 -0.780 72 HG13 VAL 12 3HG1 VAL 12 -10.033 3.089 -0.485 73 HG21 VAL 12 3HG2 VAL 12 -10.522 3.542 1.867 74 HG22 VAL 12 1HG2 VAL 12 -10.950 5.224 2.180 75 HG23 VAL 12 2HG2 VAL 12 -11.682 4.365 0.824 76 H CYS 13 H CYS 13 -6.520 3.670 0.225 77 HA CYS 13 HA CYS 13 -4.815 5.821 -0.594 78 HB2 CYS 13 1HB CYS 13 -4.208 3.355 0.033 79 HB3 CYS 13 2HB CYS 13 -4.568 3.028 -1.659 80 H ASN 14 H ASN 14 -4.897 6.954 -2.415 81 HA ASN 14 HA ASN 14 -6.857 6.291 -4.432 82 HB2 ASN 14 1HB ASN 14 -4.891 8.590 -4.318 83 HB3 ASN 14 2HB ASN 14 -6.249 8.445 -5.431 84 HD21 ASN 14 1HD2 ASN 14 -8.325 8.786 -4.691 85 HD22 ASN 14 2HD2 ASN 14 -8.658 9.510 -3.158 86 H GLU 15 H GLU 15 -3.819 5.237 -3.873 87 HA GLU 15 HA GLU 15 -2.925 5.265 -6.649 88 HB2 GLU 15 1HB GLU 15 -1.656 4.472 -4.046 89 HB3 GLU 15 2HB GLU 15 -0.960 3.948 -5.573 90 HG2 GLU 15 1HG GLU 15 -1.555 6.835 -5.082 91 HG3 GLU 15 2HG GLU 15 -0.080 6.097 -4.461 92 H CYS 16 H CYS 16 -3.703 2.907 -4.105 93 HA CYS 16 HA CYS 16 -4.075 0.885 -6.217 94 HB2 CYS 16 1HB CYS 16 -3.566 -0.818 -4.503 95 HB3 CYS 16 2HB CYS 16 -2.223 0.295 -4.747 96 H GLY 17 H GLY 17 -5.320 2.219 -3.199 97 HA2 GLY 17 1HA GLY 17 -7.743 2.525 -3.057 98 HA3 GLY 17 2HA GLY 17 -7.915 0.954 -3.826 99 H LYS 18 H LYS 18 -5.423 1.193 -1.496 100 HA LYS 18 HA LYS 18 -6.779 -0.678 0.221 101 HB2 LYS 18 1HB LYS 18 -4.207 -0.426 -0.396 102 HB3 LYS 18 2HB LYS 18 -4.213 0.613 1.023 103 HG2 LYS 18 1HG LYS 18 -4.835 -1.145 2.444 104 HG3 LYS 18 2HG LYS 18 -5.321 -2.174 1.095 105 HD2 LYS 18 1HD LYS 18 -3.017 -2.399 0.391 106 HD3 LYS 18 2HD LYS 18 -2.494 -1.271 1.644 107 HE2 LYS 18 1HE LYS 18 -2.032 -3.337 2.589 108 HE3 LYS 18 2HE LYS 18 -3.606 -2.940 3.276 109 HZ1 LYS 18 3HZ LYS 18 -3.497 -5.234 2.491 110 HZ2 LYS 18 1HZ LYS 18 -3.163 -4.695 0.922 111 HZ3 LYS 18 2HZ LYS 18 -4.656 -4.347 1.635 112 H ALA 19 H ALA 19 -7.871 -0.253 2.032 113 HA ALA 19 HA ALA 19 -7.989 2.525 2.952 114 HB1 ALA 19 3HB ALA 19 -9.792 0.244 3.739 115 HB2 ALA 19 1HB ALA 19 -10.062 1.968 3.998 116 HB3 ALA 19 2HB ALA 19 -10.089 1.305 2.363 117 H PHE 20 H PHE 20 -7.577 3.129 5.055 118 HA PHE 20 HA PHE 20 -6.543 1.060 6.868 119 HB2 PHE 20 1HB PHE 20 -5.241 3.754 6.424 120 HB3 PHE 20 2HB PHE 20 -4.680 2.484 7.506 121 HD1 PHE 20 HD1 PHE 20 -5.345 3.207 3.925 122 HD2 PHE 20 HD2 PHE 20 -3.172 0.888 6.756 123 HE1 PHE 20 HE1 PHE 20 -3.983 2.265 2.104 124 HE2 PHE 20 HE2 PHE 20 -1.807 -0.057 4.941 125 HZ PHE 20 HZ PHE 20 -2.211 0.632 2.611 126 H GLY 21 H GLY 21 -7.805 1.064 8.604 127 HA2 GLY 21 1HA GLY 21 -9.675 2.920 9.352 128 HA3 GLY 21 2HA GLY 21 -8.884 1.835 10.486 129 H LEU 22 H LEU 22 -6.268 3.218 9.645 130 HA LEU 22 HA LEU 22 -6.621 5.592 11.355 131 HB2 LEU 22 1HB LEU 22 -4.564 3.461 11.305 132 HB3 LEU 22 2HB LEU 22 -4.010 5.102 11.634 133 HG LEU 22 HG LEU 22 -6.096 3.614 13.229 134 HD11 LEU 22 1HD1 LEU 22 -4.009 2.572 13.636 135 HD12 LEU 22 2HD1 LEU 22 -4.297 3.668 14.987 136 HD13 LEU 22 3HD1 LEU 22 -3.170 4.122 13.709 137 HD21 LEU 22 3HD2 LEU 22 -5.531 5.535 14.848 138 HD22 LEU 22 1HD2 LEU 22 -6.601 5.869 13.486 139 HD23 LEU 22 2HD2 LEU 22 -4.908 6.359 13.418 140 H LYS 23 H LYS 23 -5.186 7.390 10.937 141 HA LYS 23 HA LYS 23 -4.966 7.958 8.150 142 HB2 LYS 23 1HB LYS 23 -5.472 9.634 9.970 143 HB3 LYS 23 2HB LYS 23 -3.777 9.540 10.431 144 HG2 LYS 23 1HG LYS 23 -3.074 10.452 8.356 145 HG3 LYS 23 2HG LYS 23 -4.694 10.303 7.671 146 HD2 LYS 23 1HD LYS 23 -5.516 12.089 8.895 147 HD3 LYS 23 2HD LYS 23 -4.259 11.954 10.127 148 HE2 LYS 23 1HE LYS 23 -2.620 12.633 8.305 149 HE3 LYS 23 2HE LYS 23 -4.032 13.066 7.342 150 HZ1 LYS 23 3HZ LYS 23 -4.494 14.279 9.725 151 HZ2 LYS 23 1HZ LYS 23 -3.877 15.033 8.342 152 HZ3 LYS 23 2HZ LYS 23 -2.823 14.463 9.535 153 H SER 24 H SER 24 -2.458 7.988 10.691 154 HA SER 24 HA SER 24 -0.233 8.154 9.109 155 HB2 SER 24 1HB SER 24 1.030 7.300 10.936 156 HB3 SER 24 2HB SER 24 -0.354 8.121 11.655 157 HG SER 24 HG SER 24 -0.227 5.331 11.149 158 H GLN 25 H GLN 25 -2.050 5.239 9.949 159 HA GLN 25 HA GLN 25 -0.414 3.271 8.963 160 HB2 GLN 25 1HB GLN 25 -3.421 3.495 8.846 161 HB3 GLN 25 2HB GLN 25 -2.547 2.032 8.410 162 HG2 GLN 25 1HG GLN 25 -2.576 3.374 11.103 163 HG3 GLN 25 2HG GLN 25 -3.367 1.860 10.665 164 HE21 GLN 25 1HE2 GLN 25 -1.193 2.647 12.618 165 HE22 GLN 25 2HE2 GLN 25 0.072 1.509 12.319 166 H LEU 26 H LEU 26 -2.601 5.374 7.153 167 HA LEU 26 HA LEU 26 -2.079 4.099 4.638 168 HB2 LEU 26 1HB LEU 26 -4.182 5.170 4.909 169 HB3 LEU 26 2HB LEU 26 -3.421 6.680 5.403 170 HG LEU 26 HG LEU 26 -2.480 6.820 3.055 171 HD11 LEU 26 1HD1 LEU 26 -4.174 4.391 2.826 172 HD12 LEU 26 2HD1 LEU 26 -2.642 4.783 2.046 173 HD13 LEU 26 3HD1 LEU 26 -4.138 5.515 1.467 174 HD21 LEU 26 3HD2 LEU 26 -4.636 7.911 4.067 175 HD22 LEU 26 1HD2 LEU 26 -5.459 6.832 2.940 176 HD23 LEU 26 2HD2 LEU 26 -4.302 8.019 2.338 177 H ILE 27 H ILE 27 -1.047 7.122 6.187 178 HA ILE 27 HA ILE 27 0.428 8.258 4.169 179 HB ILE 27 HB ILE 27 1.277 8.191 7.065 180 HG12 ILE 27 1HG1 ILE 27 -0.681 10.000 5.636 181 HG13 ILE 27 2HG1 ILE 27 -1.051 8.864 6.928 182 HG21 ILE 27 1HG2 ILE 27 2.263 10.389 6.546 183 HG22 ILE 27 2HG2 ILE 27 2.980 9.086 5.599 184 HG23 ILE 27 3HG2 ILE 27 1.806 10.173 4.856 185 HD11 ILE 27 3HD1 ILE 27 0.620 11.354 7.152 186 HD12 ILE 27 1HD1 ILE 27 -1.003 11.104 7.795 187 HD13 ILE 27 2HD1 ILE 27 0.356 10.191 8.451 188 H ILE 28 H ILE 28 1.461 5.745 6.446 189 HA ILE 28 HA ILE 28 4.127 5.582 5.492 190 HB ILE 28 HB ILE 28 2.518 3.473 6.937 191 HG12 ILE 28 1HG1 ILE 28 4.549 5.207 8.272 192 HG13 ILE 28 2HG1 ILE 28 2.960 5.888 7.942 193 HG21 ILE 28 1HG2 ILE 28 5.490 3.719 7.052 194 HG22 ILE 28 2HG2 ILE 28 4.468 2.308 7.320 195 HG23 ILE 28 3HG2 ILE 28 4.733 2.906 5.682 196 HD11 ILE 28 3HD1 ILE 28 3.594 3.471 9.612 197 HD12 ILE 28 1HD1 ILE 28 2.972 5.026 10.163 198 HD13 ILE 28 2HD1 ILE 28 1.962 3.972 9.172 199 H HIS 29 H HIS 29 1.124 4.016 4.585 200 HA HIS 29 HA HIS 29 2.290 2.003 2.948 201 HB2 HIS 29 1HB HIS 29 0.055 1.673 3.762 202 HB3 HIS 29 2HB HIS 29 -0.492 3.179 3.033 203 HD1 HIS 29 HD1 HIS 29 0.669 -0.282 2.045 204 HD2 HIS 29 HD2 HIS 29 -1.395 2.956 0.458 205 HE1 HIS 29 HE1 HIS 29 -0.239 -1.079 -0.161 206 H GLU 30 H GLU 30 0.741 5.120 2.196 207 HA GLU 30 HA GLU 30 0.948 5.105 -0.544 208 HB2 GLU 30 1HB GLU 30 1.397 7.482 1.270 209 HB3 GLU 30 2HB GLU 30 0.976 7.555 -0.436 210 HG2 GLU 30 1HG GLU 30 -1.173 6.586 -0.010 211 HG3 GLU 30 2HG GLU 30 -0.753 6.293 1.677 212 H ARG 31 H ARG 31 3.480 5.174 1.744 213 HA ARG 31 HA ARG 31 5.492 6.553 0.406 214 HB2 ARG 31 1HB ARG 31 5.726 4.108 2.171 215 HB3 ARG 31 2HB ARG 31 7.067 5.145 1.703 216 HG2 ARG 31 1HG ARG 31 6.002 7.030 2.848 217 HG3 ARG 31 2HG ARG 31 4.676 5.972 3.335 218 HD2 ARG 31 1HD ARG 31 6.061 5.998 5.204 219 HD3 ARG 31 2HD ARG 31 6.511 4.505 4.381 220 HE ARG 31 HE ARG 31 8.110 6.819 3.705 221 HH11 ARG 31 1HH1 ARG 31 7.742 4.026 5.751 222 HH12 ARG 31 2HH1 ARG 31 9.424 3.940 6.157 223 HH21 ARG 31 1HH2 ARG 31 10.327 6.716 4.232 224 HH22 ARG 31 2HH2 ARG 31 10.893 5.471 5.294 225 H ILE 32 H ILE 32 4.137 3.410 -0.189 226 HA ILE 32 HA ILE 32 6.241 2.335 -1.743 227 HB ILE 32 HB ILE 32 4.683 0.684 -2.499 228 HG12 ILE 32 1HG1 ILE 32 2.468 2.414 -1.380 229 HG13 ILE 32 2HG1 ILE 32 2.865 2.291 -3.090 230 HG21 ILE 32 1HG2 ILE 32 4.463 1.549 0.344 231 HG22 ILE 32 2HG2 ILE 32 3.475 0.204 -0.224 232 HG23 ILE 32 3HG2 ILE 32 5.232 0.118 -0.342 233 HD11 ILE 32 3HD1 ILE 32 1.527 0.546 -3.260 234 HD12 ILE 32 1HD1 ILE 32 2.523 -0.334 -2.101 235 HD13 ILE 32 2HD1 ILE 32 1.167 0.642 -1.536 236 H HIS 33 H HIS 33 3.590 4.492 -2.472 237 HA HIS 33 HA HIS 33 4.132 4.356 -5.336 238 HB2 HIS 33 1HB HIS 33 2.101 6.077 -3.906 239 HB3 HIS 33 2HB HIS 33 2.153 5.694 -5.624 240 HD1 HIS 33 HD1 HIS 33 1.877 2.978 -6.104 241 HD2 HIS 33 HD2 HIS 33 0.428 4.478 -2.511 242 HE1 HIS 33 HE1 HIS 33 0.249 1.255 -5.264 243 H THR 34 H THR 34 4.342 6.619 -2.636 244 HA THR 34 HA THR 34 4.953 8.976 -3.863 245 HB THR 34 HB THR 34 6.218 9.621 -1.913 246 HG1 THR 34 HG1 THR 34 7.473 7.648 -1.784 247 HG21 THR 34 3HG2 THR 34 4.585 8.228 -0.182 248 HG22 THR 34 1HG2 THR 34 3.693 8.178 -1.702 249 HG23 THR 34 2HG2 THR 34 4.170 9.729 -1.010 250 H GLY 35 H GLY 35 7.145 6.249 -3.303 251 HA2 GLY 35 1HA GLY 35 8.893 7.309 -5.399 252 HA3 GLY 35 2HA GLY 35 9.605 7.014 -3.820 253 H GLU 36 H GLU 36 9.399 4.786 -2.961 254 HA GLU 36 HA GLU 36 9.139 2.749 -5.053 255 HB2 GLU 36 1HB GLU 36 11.505 3.014 -3.190 256 HB3 GLU 36 2HB GLU 36 11.212 1.650 -4.260 257 HG2 GLU 36 1HG GLU 36 11.340 4.392 -5.411 258 HG3 GLU 36 2HG GLU 36 12.834 3.576 -4.952 259 H SER 37 H SER 37 9.293 0.492 -4.029 260 HA SER 37 HA SER 37 7.264 0.282 -2.072 261 HB2 SER 37 1HB SER 37 7.472 -1.516 -3.614 262 HB3 SER 37 2HB SER 37 9.184 -1.729 -3.248 263 HG SER 37 HG SER 37 7.208 -2.057 -1.261 264 H GLY 38 H GLY 38 10.778 -0.244 -1.921 265 HA2 GLY 38 1HA GLY 38 10.759 0.474 0.891 266 HA3 GLY 38 2HA GLY 38 11.213 -1.190 0.554 267 HA PRO 39 HA PRO 39 15.015 1.502 0.440 268 HB2 PRO 39 1HB PRO 39 16.464 -0.034 2.146 269 HB3 PRO 39 2HB PRO 39 15.393 1.261 2.693 270 HG2 PRO 39 1HG PRO 39 14.899 -1.690 2.593 271 HG3 PRO 39 2HG PRO 39 14.498 -0.531 3.874 272 HD2 PRO 39 1HD PRO 39 12.666 -1.423 2.091 273 HD3 PRO 39 2HD PRO 39 12.607 0.210 2.785 274 H SER 40 H SER 40 14.802 -2.050 0.574 275 HA SER 40 HA SER 40 15.994 -3.679 -0.507 276 HB2 SER 40 1HB SER 40 14.423 -2.475 -2.260 277 HB3 SER 40 2HB SER 40 15.961 -1.984 -2.971 278 HG SER 40 HG SER 40 15.876 -3.885 -3.866 279 H SER 41 H SER 41 17.690 -1.973 0.882 280 HA SER 41 HA SER 41 20.032 -1.884 -0.906 281 HB2 SER 41 1HB SER 41 19.085 0.374 -0.113 282 HB3 SER 41 2HB SER 41 19.701 -0.070 1.479 283 HG SER 41 HG SER 41 21.359 -0.168 -0.800 284 H GLY 42 H GLY 42 19.343 -4.175 0.509 285 HA2 GLY 42 1HA GLY 42 21.180 -5.529 1.484 286 HA3 GLY 42 2HA GLY 42 21.407 -4.211 2.625 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -19.955 -18.963 2.470 2 HA2 GLY 1 1HA GLY 1 -20.342 -18.511 -0.000 3 HA3 GLY 1 2HA GLY 1 -21.853 -17.791 0.537 4 H SER 2 H SER 2 -21.702 -15.926 1.995 5 HA SER 2 HA SER 2 -19.178 -14.445 1.705 6 HB2 SER 2 1HB SER 2 -20.420 -12.400 1.193 7 HB3 SER 2 2HB SER 2 -20.785 -13.650 0.003 8 HG SER 2 HG SER 2 -22.684 -12.627 0.710 9 H SER 3 H SER 3 -18.775 -15.065 3.895 10 HA SER 3 HA SER 3 -20.511 -13.771 5.885 11 HB2 SER 3 1HB SER 3 -19.804 -16.320 5.925 12 HB3 SER 3 2HB SER 3 -18.339 -15.675 6.664 13 HG SER 3 HG SER 3 -20.429 -16.253 7.957 14 H GLY 4 H GLY 4 -19.249 -13.017 7.890 15 HA2 GLY 4 1HA GLY 4 -17.330 -11.974 8.811 16 HA3 GLY 4 2HA GLY 4 -16.634 -11.889 7.199 17 H SER 5 H SER 5 -16.528 -9.699 8.815 18 HA SER 5 HA SER 5 -18.369 -7.864 7.443 19 HB2 SER 5 1HB SER 5 -17.589 -7.593 10.354 20 HB3 SER 5 2HB SER 5 -18.729 -6.588 9.460 21 HG SER 5 HG SER 5 -19.089 -9.375 9.785 22 H SER 6 H SER 6 -17.559 -5.782 7.044 23 HA SER 6 HA SER 6 -14.627 -5.627 7.140 24 HB2 SER 6 1HB SER 6 -16.037 -5.440 4.945 25 HB3 SER 6 2HB SER 6 -16.336 -3.790 5.492 26 HG SER 6 HG SER 6 -14.148 -3.391 5.434 27 H GLY 7 H GLY 7 -13.668 -4.232 8.462 28 HA2 GLY 7 1HA GLY 7 -15.130 -2.595 10.244 29 HA3 GLY 7 2HA GLY 7 -13.387 -2.564 10.016 30 H GLN 8 H GLN 8 -14.467 -0.216 10.551 31 HA GLN 8 HA GLN 8 -15.150 1.157 8.079 32 HB2 GLN 8 1HB GLN 8 -15.339 3.158 9.609 33 HB3 GLN 8 2HB GLN 8 -16.448 1.836 9.948 34 HG2 GLN 8 1HG GLN 8 -13.849 1.961 11.397 35 HG3 GLN 8 2HG GLN 8 -15.162 3.035 11.876 36 HE21 GLN 8 1HE2 GLN 8 -17.196 2.051 12.470 37 HE22 GLN 8 2HE2 GLN 8 -17.203 0.477 13.183 38 H LYS 9 H LYS 9 -13.609 1.891 6.790 39 HA LYS 9 HA LYS 9 -11.167 3.001 7.996 40 HB2 LYS 9 1HB LYS 9 -11.340 1.194 5.580 41 HB3 LYS 9 2HB LYS 9 -9.895 2.081 6.047 42 HG2 LYS 9 1HG LYS 9 -9.819 0.864 8.158 43 HG3 LYS 9 2HG LYS 9 -11.282 -0.015 7.707 44 HD2 LYS 9 1HD LYS 9 -9.860 -0.611 5.571 45 HD3 LYS 9 2HD LYS 9 -8.507 -0.263 6.649 46 HE2 LYS 9 1HE LYS 9 -9.035 -2.629 6.703 47 HE3 LYS 9 2HE LYS 9 -9.395 -1.889 8.262 48 HZ1 LYS 9 3HZ LYS 9 -11.490 -2.228 6.208 49 HZ2 LYS 9 1HZ LYS 9 -11.671 -2.001 7.875 50 HZ3 LYS 9 2HZ LYS 9 -11.104 -3.479 7.279 51 HA PRO 10 HA PRO 10 -12.918 6.283 5.381 52 HB2 PRO 10 1HB PRO 10 -11.709 8.295 6.744 53 HB3 PRO 10 2HB PRO 10 -13.216 7.542 7.279 54 HG2 PRO 10 1HG PRO 10 -10.415 7.042 8.208 55 HG3 PRO 10 2HG PRO 10 -11.900 7.199 9.165 56 HD2 PRO 10 1HD PRO 10 -10.803 4.799 8.562 57 HD3 PRO 10 2HD PRO 10 -12.554 5.031 8.738 58 H TYR 11 H TYR 11 -9.567 6.036 6.540 59 HA TYR 11 HA TYR 11 -8.477 7.621 4.438 60 HB2 TYR 11 1HB TYR 11 -7.013 5.599 6.139 61 HB3 TYR 11 2HB TYR 11 -6.325 6.980 5.293 62 HD1 TYR 11 HD1 TYR 11 -8.409 5.950 8.156 63 HD2 TYR 11 HD2 TYR 11 -6.381 9.169 6.251 64 HE1 TYR 11 HE1 TYR 11 -8.706 7.324 10.174 65 HE2 TYR 11 HE2 TYR 11 -6.672 10.551 8.264 66 HH TYR 11 HH TYR 11 -7.352 10.595 10.385 67 H VAL 12 H VAL 12 -8.888 6.913 2.413 68 HA VAL 12 HA VAL 12 -8.131 4.142 1.756 69 HB VAL 12 HB VAL 12 -10.037 5.965 0.282 70 HG11 VAL 12 1HG1 VAL 12 -8.665 4.318 -1.086 71 HG12 VAL 12 2HG1 VAL 12 -9.555 3.046 -0.246 72 HG13 VAL 12 3HG1 VAL 12 -10.418 4.216 -1.245 73 HG21 VAL 12 3HG2 VAL 12 -10.892 5.094 2.438 74 HG22 VAL 12 1HG2 VAL 12 -11.787 4.492 1.043 75 HG23 VAL 12 2HG2 VAL 12 -10.612 3.454 1.852 76 H CYS 13 H CYS 13 -6.404 3.857 0.513 77 HA CYS 13 HA CYS 13 -4.777 5.958 -0.364 78 HB2 CYS 13 1HB CYS 13 -4.260 3.419 0.020 79 HB3 CYS 13 2HB CYS 13 -4.683 3.267 -1.683 80 H ASN 14 H ASN 14 -4.566 7.036 -2.259 81 HA ASN 14 HA ASN 14 -6.719 6.688 -4.205 82 HB2 ASN 14 1HB ASN 14 -4.774 8.924 -3.652 83 HB3 ASN 14 2HB ASN 14 -5.770 8.895 -5.105 84 HD21 ASN 14 1HD2 ASN 14 -7.904 9.385 -4.974 85 HD22 ASN 14 2HD2 ASN 14 -8.677 9.925 -3.527 86 H GLU 15 H GLU 15 -4.022 5.155 -3.868 87 HA GLU 15 HA GLU 15 -3.133 5.444 -6.661 88 HB2 GLU 15 1HB GLU 15 -1.692 4.689 -4.147 89 HB3 GLU 15 2HB GLU 15 -1.105 4.091 -5.692 90 HG2 GLU 15 1HG GLU 15 -1.521 6.993 -5.014 91 HG3 GLU 15 2HG GLU 15 0.024 6.148 -4.954 92 H CYS 16 H CYS 16 -3.740 3.048 -4.109 93 HA CYS 16 HA CYS 16 -4.190 1.040 -6.220 94 HB2 CYS 16 1HB CYS 16 -3.613 -0.669 -4.536 95 HB3 CYS 16 2HB CYS 16 -2.287 0.457 -4.809 96 H GLY 17 H GLY 17 -5.390 2.464 -3.246 97 HA2 GLY 17 1HA GLY 17 -7.769 2.723 -2.951 98 HA3 GLY 17 2HA GLY 17 -7.994 1.195 -3.790 99 H LYS 18 H LYS 18 -5.474 1.455 -1.435 100 HA LYS 18 HA LYS 18 -6.754 -0.564 0.187 101 HB2 LYS 18 1HB LYS 18 -4.215 -0.290 -0.432 102 HB3 LYS 18 2HB LYS 18 -4.196 0.787 0.958 103 HG2 LYS 18 1HG LYS 18 -4.518 -0.903 2.451 104 HG3 LYS 18 2HG LYS 18 -5.408 -1.901 1.298 105 HD2 LYS 18 1HD LYS 18 -3.339 -2.420 0.126 106 HD3 LYS 18 2HD LYS 18 -2.436 -1.375 1.225 107 HE2 LYS 18 1HE LYS 18 -4.015 -3.795 2.085 108 HE3 LYS 18 2HE LYS 18 -2.282 -3.803 1.765 109 HZ1 LYS 18 3HZ LYS 18 -1.966 -3.144 3.839 110 HZ2 LYS 18 1HZ LYS 18 -3.633 -3.034 4.112 111 HZ3 LYS 18 2HZ LYS 18 -2.784 -1.700 3.511 112 H ALA 19 H ALA 19 -7.932 -0.205 1.946 113 HA ALA 19 HA ALA 19 -8.107 2.511 2.999 114 HB1 ALA 19 3HB ALA 19 -10.127 1.801 4.087 115 HB2 ALA 19 1HB ALA 19 -10.166 1.257 2.410 116 HB3 ALA 19 2HB ALA 19 -9.794 0.113 3.701 117 H PHE 20 H PHE 20 -7.680 3.071 5.109 118 HA PHE 20 HA PHE 20 -6.562 0.996 6.861 119 HB2 PHE 20 1HB PHE 20 -5.300 3.713 6.452 120 HB3 PHE 20 2HB PHE 20 -4.695 2.412 7.473 121 HD1 PHE 20 HD1 PHE 20 -5.424 3.301 3.947 122 HD2 PHE 20 HD2 PHE 20 -3.239 0.809 6.617 123 HE1 PHE 20 HE1 PHE 20 -4.106 2.439 2.058 124 HE2 PHE 20 HE2 PHE 20 -1.917 -0.057 4.732 125 HZ PHE 20 HZ PHE 20 -2.349 0.758 2.449 126 H GLY 21 H GLY 21 -7.762 0.965 8.639 127 HA2 GLY 21 1HA GLY 21 -9.651 2.781 9.445 128 HA3 GLY 21 2HA GLY 21 -8.816 1.699 10.549 129 H LEU 22 H LEU 22 -6.235 3.110 9.694 130 HA LEU 22 HA LEU 22 -6.592 5.476 11.415 131 HB2 LEU 22 1HB LEU 22 -4.517 3.366 11.330 132 HB3 LEU 22 2HB LEU 22 -3.970 5.010 11.650 133 HG LEU 22 HG LEU 22 -6.001 3.485 13.280 134 HD11 LEU 22 1HD1 LEU 22 -4.362 3.014 14.813 135 HD12 LEU 22 2HD1 LEU 22 -3.325 4.335 14.276 136 HD13 LEU 22 3HD1 LEU 22 -3.458 2.869 13.305 137 HD21 LEU 22 3HD2 LEU 22 -4.916 6.272 13.421 138 HD22 LEU 22 1HD2 LEU 22 -5.459 5.441 14.879 139 HD23 LEU 22 2HD2 LEU 22 -6.585 5.714 13.549 140 H LYS 23 H LYS 23 -5.150 7.281 10.996 141 HA LYS 23 HA LYS 23 -4.984 7.868 8.205 142 HB2 LYS 23 1HB LYS 23 -5.476 9.519 10.072 143 HB3 LYS 23 2HB LYS 23 -3.760 9.465 10.454 144 HG2 LYS 23 1HG LYS 23 -3.167 10.435 8.391 145 HG3 LYS 23 2HG LYS 23 -4.780 10.181 7.722 146 HD2 LYS 23 1HD LYS 23 -5.644 11.743 9.497 147 HD3 LYS 23 2HD LYS 23 -3.962 12.115 9.883 148 HE2 LYS 23 1HE LYS 23 -3.619 13.244 7.919 149 HE3 LYS 23 2HE LYS 23 -4.842 12.320 7.048 150 HZ1 LYS 23 3HZ LYS 23 -6.561 13.563 8.050 151 HZ2 LYS 23 1HZ LYS 23 -5.415 14.695 7.531 152 HZ3 LYS 23 2HZ LYS 23 -5.513 14.280 9.167 153 H SER 24 H SER 24 -2.448 7.913 10.717 154 HA SER 24 HA SER 24 -0.242 8.112 9.112 155 HB2 SER 24 1HB SER 24 1.050 7.255 10.917 156 HB3 SER 24 2HB SER 24 -0.332 8.064 11.657 157 HG SER 24 HG SER 24 0.350 5.759 12.291 158 H GLN 25 H GLN 25 -2.030 5.177 9.941 159 HA GLN 25 HA GLN 25 -0.376 3.235 8.920 160 HB2 GLN 25 1HB GLN 25 -3.388 3.416 8.859 161 HB3 GLN 25 2HB GLN 25 -2.500 1.968 8.402 162 HG2 GLN 25 1HG GLN 25 -2.531 3.296 11.100 163 HG3 GLN 25 2HG GLN 25 -3.263 1.753 10.662 164 HE21 GLN 25 1HE2 GLN 25 -1.293 2.337 12.714 165 HE22 GLN 25 2HE2 GLN 25 0.087 1.363 12.353 166 H LEU 26 H LEU 26 -2.587 5.356 7.171 167 HA LEU 26 HA LEU 26 -2.095 4.094 4.634 168 HB2 LEU 26 1HB LEU 26 -4.220 5.106 4.941 169 HB3 LEU 26 2HB LEU 26 -3.493 6.630 5.446 170 HG LEU 26 HG LEU 26 -2.609 6.869 3.106 171 HD11 LEU 26 1HD1 LEU 26 -3.108 5.418 1.440 172 HD12 LEU 26 2HD1 LEU 26 -4.644 4.939 2.162 173 HD13 LEU 26 3HD1 LEU 26 -3.133 4.277 2.785 174 HD21 LEU 26 3HD2 LEU 26 -4.877 7.740 4.140 175 HD22 LEU 26 1HD2 LEU 26 -5.569 6.665 2.924 176 HD23 LEU 26 2HD2 LEU 26 -4.491 7.972 2.434 177 H ILE 27 H ILE 27 -1.081 7.093 6.228 178 HA ILE 27 HA ILE 27 0.328 8.290 4.181 179 HB ILE 27 HB ILE 27 1.212 8.241 7.067 180 HG12 ILE 27 1HG1 ILE 27 -0.822 9.996 5.676 181 HG13 ILE 27 2HG1 ILE 27 -1.143 8.834 6.959 182 HG21 ILE 27 1HG2 ILE 27 2.010 9.753 4.684 183 HG22 ILE 27 2HG2 ILE 27 1.710 10.736 6.116 184 HG23 ILE 27 3HG2 ILE 27 2.895 9.431 6.175 185 HD11 ILE 27 3HD1 ILE 27 0.516 10.281 8.327 186 HD12 ILE 27 1HD1 ILE 27 0.163 11.509 7.112 187 HD13 ILE 27 2HD1 ILE 27 -1.141 10.835 8.090 188 H ILE 28 H ILE 28 1.419 5.772 6.420 189 HA ILE 28 HA ILE 28 4.089 5.687 5.445 190 HB ILE 28 HB ILE 28 2.552 3.544 6.918 191 HG12 ILE 28 1HG1 ILE 28 4.556 5.337 8.218 192 HG13 ILE 28 2HG1 ILE 28 2.943 5.971 7.912 193 HG21 ILE 28 1HG2 ILE 28 4.664 2.881 5.681 194 HG22 ILE 28 2HG2 ILE 28 5.532 3.915 6.816 195 HG23 ILE 28 3HG2 ILE 28 4.620 2.526 7.408 196 HD11 ILE 28 3HD1 ILE 28 3.323 3.364 9.324 197 HD12 ILE 28 1HD1 ILE 28 3.443 4.897 10.187 198 HD13 ILE 28 2HD1 ILE 28 1.945 4.465 9.363 199 H HIS 29 H HIS 29 1.109 4.085 4.554 200 HA HIS 29 HA HIS 29 2.306 2.084 2.915 201 HB2 HIS 29 1HB HIS 29 0.104 1.664 3.741 202 HB3 HIS 29 2HB HIS 29 -0.503 3.179 3.081 203 HD1 HIS 29 HD1 HIS 29 0.683 -0.228 1.958 204 HD2 HIS 29 HD2 HIS 29 -1.440 3.035 0.506 205 HE1 HIS 29 HE1 HIS 29 -0.259 -0.968 -0.253 206 H GLU 30 H GLU 30 0.656 5.154 2.184 207 HA GLU 30 HA GLU 30 0.839 5.134 -0.563 208 HB2 GLU 30 1HB GLU 30 1.216 7.549 1.215 209 HB3 GLU 30 2HB GLU 30 0.726 7.568 -0.473 210 HG2 GLU 30 1HG GLU 30 -1.383 6.703 -0.000 211 HG3 GLU 30 2HG GLU 30 -0.887 6.116 1.587 212 H ARG 31 H ARG 31 3.377 5.289 1.703 213 HA ARG 31 HA ARG 31 5.315 6.749 0.305 214 HB2 ARG 31 1HB ARG 31 5.668 4.416 2.195 215 HB3 ARG 31 2HB ARG 31 6.959 5.487 1.668 216 HG2 ARG 31 1HG ARG 31 5.940 7.356 2.770 217 HG3 ARG 31 2HG ARG 31 4.513 6.396 3.166 218 HD2 ARG 31 1HD ARG 31 5.875 6.534 5.124 219 HD3 ARG 31 2HD ARG 31 5.986 4.890 4.499 220 HE ARG 31 HE ARG 31 8.210 5.251 3.992 221 HH11 ARG 31 1HH1 ARG 31 6.692 8.230 4.963 222 HH12 ARG 31 2HH1 ARG 31 8.186 9.093 5.119 223 HH21 ARG 31 1HH2 ARG 31 10.184 6.377 4.193 224 HH22 ARG 31 2HH2 ARG 31 10.172 8.038 4.680 225 H ILE 32 H ILE 32 4.158 3.486 -0.082 226 HA ILE 32 HA ILE 32 6.289 2.422 -1.573 227 HB ILE 32 HB ILE 32 4.822 0.680 -2.245 228 HG12 ILE 32 1HG1 ILE 32 2.479 2.383 -1.380 229 HG13 ILE 32 2HG1 ILE 32 3.007 2.224 -3.051 230 HG21 ILE 32 1HG2 ILE 32 4.589 1.727 0.497 231 HG22 ILE 32 2HG2 ILE 32 3.404 0.504 0.040 232 HG23 ILE 32 3HG2 ILE 32 5.127 0.149 -0.076 233 HD11 ILE 32 3HD1 ILE 32 1.711 0.211 -1.275 234 HD12 ILE 32 1HD1 ILE 32 1.294 0.696 -2.919 235 HD13 ILE 32 2HD1 ILE 32 2.710 -0.315 -2.629 236 H HIS 33 H HIS 33 3.701 4.572 -2.430 237 HA HIS 33 HA HIS 33 4.151 4.239 -5.284 238 HB2 HIS 33 1HB HIS 33 2.329 6.185 -3.856 239 HB3 HIS 33 2HB HIS 33 2.312 5.799 -5.574 240 HD1 HIS 33 HD1 HIS 33 2.046 2.933 -5.830 241 HD2 HIS 33 HD2 HIS 33 0.289 4.926 -2.637 242 HE1 HIS 33 HE1 HIS 33 0.223 1.409 -5.007 243 H THR 34 H THR 34 4.587 6.705 -2.782 244 HA THR 34 HA THR 34 5.380 8.891 -4.160 245 HB THR 34 HB THR 34 6.821 9.515 -2.318 246 HG1 THR 34 HG1 THR 34 6.935 7.658 -0.629 247 HG21 THR 34 3HG2 THR 34 4.326 9.441 -1.994 248 HG22 THR 34 1HG2 THR 34 5.272 9.357 -0.509 249 HG23 THR 34 2HG2 THR 34 4.548 7.894 -1.177 250 H GLY 35 H GLY 35 7.304 5.977 -3.621 251 HA2 GLY 35 1HA GLY 35 9.530 7.125 -5.137 252 HA3 GLY 35 2HA GLY 35 9.556 5.612 -4.243 253 H GLU 36 H GLU 36 7.158 4.521 -5.353 254 HA GLU 36 HA GLU 36 7.965 2.940 -7.343 255 HB2 GLU 36 1HB GLU 36 5.694 2.914 -6.319 256 HB3 GLU 36 2HB GLU 36 5.248 4.264 -7.353 257 HG2 GLU 36 1HG GLU 36 5.388 2.958 -9.301 258 HG3 GLU 36 2HG GLU 36 6.241 1.662 -8.465 259 H SER 37 H SER 37 6.594 6.176 -7.896 260 HA SER 37 HA SER 37 6.500 6.408 -10.563 261 HB2 SER 37 1HB SER 37 7.809 8.437 -8.735 262 HB3 SER 37 2HB SER 37 7.169 8.770 -10.344 263 HG SER 37 HG SER 37 5.865 8.585 -7.972 264 H GLY 38 H GLY 38 7.821 6.408 -12.298 265 HA2 GLY 38 1HA GLY 38 10.420 5.314 -12.074 266 HA3 GLY 38 2HA GLY 38 9.708 5.982 -13.536 267 HA PRO 39 HA PRO 39 13.067 8.769 -11.561 268 HB2 PRO 39 1HB PRO 39 15.212 8.020 -13.046 269 HB3 PRO 39 2HB PRO 39 14.811 7.275 -11.494 270 HG2 PRO 39 1HG PRO 39 14.250 6.295 -14.266 271 HG3 PRO 39 2HG PRO 39 14.829 5.390 -12.855 272 HD2 PRO 39 1HD PRO 39 12.242 5.344 -13.655 273 HD3 PRO 39 2HD PRO 39 12.717 5.206 -11.950 274 H SER 40 H SER 40 11.944 10.437 -12.598 275 HA SER 40 HA SER 40 13.193 11.578 -14.848 276 HB2 SER 40 1HB SER 40 11.214 11.467 -16.414 277 HB3 SER 40 2HB SER 40 12.069 9.941 -16.192 278 HG SER 40 HG SER 40 10.446 9.310 -14.738 279 H SER 41 H SER 41 11.867 13.501 -15.690 280 HA SER 41 HA SER 41 11.369 15.288 -13.687 281 HB2 SER 41 1HB SER 41 9.917 15.292 -16.342 282 HB3 SER 41 2HB SER 41 10.265 16.687 -15.320 283 HG SER 41 HG SER 41 11.718 16.238 -17.185 284 H GLY 42 H GLY 42 8.877 13.440 -15.451 285 HA2 GLY 42 1HA GLY 42 6.642 13.114 -14.950 286 HA3 GLY 42 2HA GLY 42 7.313 12.617 -13.403 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -10.678 -14.109 0.355 2 HA2 GLY 1 1HA GLY 1 -12.301 -12.051 1.094 3 HA3 GLY 1 2HA GLY 1 -12.755 -13.738 1.288 4 H SER 2 H SER 2 -12.879 -11.027 2.896 5 HA SER 2 HA SER 2 -11.740 -11.920 5.421 6 HB2 SER 2 1HB SER 2 -13.268 -9.385 4.783 7 HB3 SER 2 2HB SER 2 -12.376 -9.718 6.267 8 HG SER 2 HG SER 2 -11.319 -9.443 3.649 9 H SER 3 H SER 3 -14.924 -11.056 4.100 10 HA SER 3 HA SER 3 -17.022 -11.762 4.644 11 HB2 SER 3 1HB SER 3 -15.761 -14.010 4.876 12 HB3 SER 3 2HB SER 3 -15.862 -13.721 6.613 13 HG SER 3 HG SER 3 -18.234 -13.343 6.020 14 H GLY 4 H GLY 4 -15.960 -9.544 5.929 15 HA2 GLY 4 1HA GLY 4 -17.674 -8.733 7.764 16 HA3 GLY 4 2HA GLY 4 -16.678 -9.791 8.752 17 H SER 5 H SER 5 -16.888 -7.175 9.442 18 HA SER 5 HA SER 5 -14.181 -6.344 9.485 19 HB2 SER 5 1HB SER 5 -14.524 -4.153 8.293 20 HB3 SER 5 2HB SER 5 -14.544 -5.566 7.238 21 HG SER 5 HG SER 5 -16.664 -5.334 6.932 22 H SER 6 H SER 6 -13.854 -5.169 11.270 23 HA SER 6 HA SER 6 -16.185 -3.853 12.503 24 HB2 SER 6 1HB SER 6 -13.918 -5.289 13.906 25 HB3 SER 6 2HB SER 6 -15.229 -4.424 14.708 26 HG SER 6 HG SER 6 -15.999 -6.333 12.858 27 H GLY 7 H GLY 7 -15.405 -1.965 11.284 28 HA2 GLY 7 1HA GLY 7 -14.430 0.083 12.605 29 HA3 GLY 7 2HA GLY 7 -12.928 -0.778 12.301 30 H GLN 8 H GLN 8 -15.439 1.178 10.944 31 HA GLN 8 HA GLN 8 -14.961 0.924 8.225 32 HB2 GLN 8 1HB GLN 8 -15.892 3.183 8.002 33 HB3 GLN 8 2HB GLN 8 -16.832 2.209 9.125 34 HG2 GLN 8 1HG GLN 8 -15.766 3.314 11.007 35 HG3 GLN 8 2HG GLN 8 -14.776 4.265 9.901 36 HE21 GLN 8 1HE2 GLN 8 -15.462 6.266 9.759 37 HE22 GLN 8 2HE2 GLN 8 -17.109 6.788 9.764 38 H LYS 9 H LYS 9 -13.382 1.531 6.880 39 HA LYS 9 HA LYS 9 -11.122 3.021 8.020 40 HB2 LYS 9 1HB LYS 9 -11.278 1.212 5.602 41 HB3 LYS 9 2HB LYS 9 -9.835 2.086 6.101 42 HG2 LYS 9 1HG LYS 9 -9.835 0.858 8.222 43 HG3 LYS 9 2HG LYS 9 -11.264 -0.034 7.694 44 HD2 LYS 9 1HD LYS 9 -9.924 -0.807 5.713 45 HD3 LYS 9 2HD LYS 9 -8.505 -0.091 6.482 46 HE2 LYS 9 1HE LYS 9 -10.258 -2.230 7.688 47 HE3 LYS 9 2HE LYS 9 -8.696 -2.507 6.919 48 HZ1 LYS 9 3HZ LYS 9 -8.899 -2.212 9.497 49 HZ2 LYS 9 1HZ LYS 9 -8.842 -0.567 9.109 50 HZ3 LYS 9 2HZ LYS 9 -7.571 -1.587 8.656 51 HA PRO 10 HA PRO 10 -12.911 6.260 5.368 52 HB2 PRO 10 1HB PRO 10 -11.764 8.301 6.741 53 HB3 PRO 10 2HB PRO 10 -13.265 7.523 7.255 54 HG2 PRO 10 1HG PRO 10 -10.471 7.081 8.234 55 HG3 PRO 10 2HG PRO 10 -11.974 7.214 9.164 56 HD2 PRO 10 1HD PRO 10 -10.822 4.832 8.592 57 HD3 PRO 10 2HD PRO 10 -12.580 5.031 8.738 58 H TYR 11 H TYR 11 -9.577 6.016 6.559 59 HA TYR 11 HA TYR 11 -8.478 7.634 4.477 60 HB2 TYR 11 1HB TYR 11 -7.006 5.642 6.206 61 HB3 TYR 11 2HB TYR 11 -6.331 7.035 5.370 62 HD1 TYR 11 HD1 TYR 11 -8.444 5.970 8.199 63 HD2 TYR 11 HD2 TYR 11 -6.440 9.222 6.325 64 HE1 TYR 11 HE1 TYR 11 -8.798 7.340 10.211 65 HE2 TYR 11 HE2 TYR 11 -6.787 10.600 8.332 66 HH TYR 11 HH TYR 11 -7.608 9.391 11.274 67 H VAL 12 H VAL 12 -8.845 6.911 2.449 68 HA VAL 12 HA VAL 12 -8.047 4.145 1.819 69 HB VAL 12 HB VAL 12 -9.955 5.955 0.332 70 HG11 VAL 12 1HG1 VAL 12 -8.907 3.206 -0.295 71 HG12 VAL 12 2HG1 VAL 12 -10.392 3.848 -1.000 72 HG13 VAL 12 3HG1 VAL 12 -8.851 4.652 -1.302 73 HG21 VAL 12 3HG2 VAL 12 -10.342 3.561 2.105 74 HG22 VAL 12 1HG2 VAL 12 -11.083 5.156 2.229 75 HG23 VAL 12 2HG2 VAL 12 -11.560 4.061 0.932 76 H CYS 13 H CYS 13 -6.541 3.766 0.271 77 HA CYS 13 HA CYS 13 -4.847 5.940 -0.504 78 HB2 CYS 13 1HB CYS 13 -4.211 3.472 0.013 79 HB3 CYS 13 2HB CYS 13 -4.663 3.174 -1.662 80 H ASN 14 H ASN 14 -4.718 6.995 -2.404 81 HA ASN 14 HA ASN 14 -6.817 6.488 -4.359 82 HB2 ASN 14 1HB ASN 14 -4.843 8.760 -4.059 83 HB3 ASN 14 2HB ASN 14 -6.041 8.658 -5.346 84 HD21 ASN 14 1HD2 ASN 14 -8.256 8.785 -4.801 85 HD22 ASN 14 2HD2 ASN 14 -8.766 9.541 -3.334 86 H GLU 15 H GLU 15 -3.773 5.390 -3.877 87 HA GLU 15 HA GLU 15 -2.930 5.476 -6.667 88 HB2 GLU 15 1HB GLU 15 -1.632 4.637 -4.099 89 HB3 GLU 15 2HB GLU 15 -0.979 4.076 -5.632 90 HG2 GLU 15 1HG GLU 15 -1.437 6.979 -5.016 91 HG3 GLU 15 2HG GLU 15 0.075 6.144 -4.664 92 H CYS 16 H CYS 16 -3.727 3.069 -4.179 93 HA CYS 16 HA CYS 16 -4.164 1.112 -6.339 94 HB2 CYS 16 1HB CYS 16 -3.646 -0.648 -4.671 95 HB3 CYS 16 2HB CYS 16 -2.286 0.432 -4.961 96 H GLY 17 H GLY 17 -5.303 2.361 -3.243 97 HA2 GLY 17 1HA GLY 17 -7.719 2.695 -3.027 98 HA3 GLY 17 2HA GLY 17 -7.931 1.149 -3.835 99 H LYS 18 H LYS 18 -5.392 1.372 -1.530 100 HA LYS 18 HA LYS 18 -6.675 -0.587 0.144 101 HB2 LYS 18 1HB LYS 18 -4.117 -0.233 -0.479 102 HB3 LYS 18 2HB LYS 18 -4.149 0.768 0.967 103 HG2 LYS 18 1HG LYS 18 -4.461 -1.005 2.360 104 HG3 LYS 18 2HG LYS 18 -5.313 -1.956 1.141 105 HD2 LYS 18 1HD LYS 18 -3.024 -2.029 -0.061 106 HD3 LYS 18 2HD LYS 18 -2.364 -1.551 1.505 107 HE2 LYS 18 1HE LYS 18 -2.250 -3.889 1.509 108 HE3 LYS 18 2HE LYS 18 -3.686 -3.517 2.461 109 HZ1 LYS 18 3HZ LYS 18 -5.082 -4.096 0.667 110 HZ2 LYS 18 1HZ LYS 18 -3.938 -5.338 0.781 111 HZ3 LYS 18 2HZ LYS 18 -3.795 -4.164 -0.429 112 H ALA 19 H ALA 19 -7.779 -0.246 1.963 113 HA ALA 19 HA ALA 19 -8.012 2.498 2.948 114 HB1 ALA 19 3HB ALA 19 -10.083 1.330 2.429 115 HB2 ALA 19 1HB ALA 19 -9.666 0.055 3.574 116 HB3 ALA 19 2HB ALA 19 -9.985 1.691 4.153 117 H PHE 20 H PHE 20 -7.740 3.046 5.127 118 HA PHE 20 HA PHE 20 -6.541 1.033 6.881 119 HB2 PHE 20 1HB PHE 20 -5.289 3.749 6.437 120 HB3 PHE 20 2HB PHE 20 -4.676 2.456 7.463 121 HD1 PHE 20 HD1 PHE 20 -5.438 3.306 3.932 122 HD2 PHE 20 HD2 PHE 20 -3.202 0.870 6.612 123 HE1 PHE 20 HE1 PHE 20 -4.125 2.438 2.042 124 HE2 PHE 20 HE2 PHE 20 -1.885 -0.002 4.726 125 HZ PHE 20 HZ PHE 20 -2.345 0.782 2.437 126 H GLY 21 H GLY 21 -7.814 1.022 8.612 127 HA2 GLY 21 1HA GLY 21 -9.681 2.858 9.391 128 HA3 GLY 21 2HA GLY 21 -8.860 1.787 10.517 129 H LEU 22 H LEU 22 -6.259 3.153 9.705 130 HA LEU 22 HA LEU 22 -6.623 5.545 11.387 131 HB2 LEU 22 1HB LEU 22 -4.547 3.434 11.320 132 HB3 LEU 22 2HB LEU 22 -4.005 5.081 11.639 133 HG LEU 22 HG LEU 22 -6.051 3.566 13.260 134 HD11 LEU 22 1HD1 LEU 22 -3.111 3.916 13.492 135 HD12 LEU 22 2HD1 LEU 22 -4.125 2.534 13.907 136 HD13 LEU 22 3HD1 LEU 22 -4.073 3.940 14.970 137 HD21 LEU 22 3HD2 LEU 22 -6.585 5.838 13.464 138 HD22 LEU 22 1HD2 LEU 22 -4.891 6.327 13.467 139 HD23 LEU 22 2HD2 LEU 22 -5.570 5.493 14.865 140 H LYS 23 H LYS 23 -5.178 7.346 10.960 141 HA LYS 23 HA LYS 23 -5.003 7.917 8.167 142 HB2 LYS 23 1HB LYS 23 -5.502 9.594 9.984 143 HB3 LYS 23 2HB LYS 23 -3.806 9.506 10.439 144 HG2 LYS 23 1HG LYS 23 -3.132 10.362 8.296 145 HG3 LYS 23 2HG LYS 23 -4.799 10.318 7.715 146 HD2 LYS 23 1HD LYS 23 -5.436 11.983 9.377 147 HD3 LYS 23 2HD LYS 23 -3.787 12.004 10.006 148 HE2 LYS 23 1HE LYS 23 -2.953 12.885 7.928 149 HE3 LYS 23 2HE LYS 23 -4.536 12.713 7.172 150 HZ1 LYS 23 3HZ LYS 23 -3.926 15.008 7.951 151 HZ2 LYS 23 1HZ LYS 23 -4.077 14.438 9.536 152 HZ3 LYS 23 2HZ LYS 23 -5.415 14.425 8.502 153 H SER 24 H SER 24 -2.455 8.029 10.663 154 HA SER 24 HA SER 24 -0.258 8.180 9.050 155 HB2 SER 24 1HB SER 24 -0.725 6.954 11.735 156 HB3 SER 24 2HB SER 24 0.827 6.680 10.945 157 HG SER 24 HG SER 24 -0.351 9.207 11.487 158 H GLN 25 H GLN 25 -2.074 5.279 9.910 159 HA GLN 25 HA GLN 25 -0.418 3.305 8.943 160 HB2 GLN 25 1HB GLN 25 -3.428 3.509 8.887 161 HB3 GLN 25 2HB GLN 25 -2.560 2.050 8.424 162 HG2 GLN 25 1HG GLN 25 -2.553 3.382 11.122 163 HG3 GLN 25 2HG GLN 25 -3.307 1.847 10.692 164 HE21 GLN 25 1HE2 GLN 25 -1.256 2.497 12.697 165 HE22 GLN 25 2HE2 GLN 25 0.087 1.473 12.337 166 H LEU 26 H LEU 26 -2.657 5.362 7.141 167 HA LEU 26 HA LEU 26 -2.126 4.064 4.633 168 HB2 LEU 26 1HB LEU 26 -4.269 5.058 4.930 169 HB3 LEU 26 2HB LEU 26 -3.554 6.607 5.372 170 HG LEU 26 HG LEU 26 -2.659 6.715 3.003 171 HD11 LEU 26 1HD1 LEU 26 -3.053 4.235 2.631 172 HD12 LEU 26 2HD1 LEU 26 -3.556 5.322 1.336 173 HD13 LEU 26 3HD1 LEU 26 -4.758 4.643 2.433 174 HD21 LEU 26 3HD2 LEU 26 -5.659 6.639 3.124 175 HD22 LEU 26 1HD2 LEU 26 -4.618 7.721 2.198 176 HD23 LEU 26 2HD2 LEU 26 -4.719 7.882 3.951 177 H ILE 27 H ILE 27 -1.007 6.954 6.298 178 HA ILE 27 HA ILE 27 0.343 8.204 4.205 179 HB ILE 27 HB ILE 27 1.303 8.163 7.063 180 HG12 ILE 27 1HG1 ILE 27 -0.908 9.787 5.793 181 HG13 ILE 27 2HG1 ILE 27 -1.061 8.646 7.125 182 HG21 ILE 27 1HG2 ILE 27 2.778 9.665 6.368 183 HG22 ILE 27 2HG2 ILE 27 2.168 9.506 4.722 184 HG23 ILE 27 3HG2 ILE 27 1.467 10.704 5.808 185 HD11 ILE 27 3HD1 ILE 27 0.132 11.385 7.118 186 HD12 ILE 27 1HD1 ILE 27 -1.122 10.714 8.161 187 HD13 ILE 27 2HD1 ILE 27 0.557 10.212 8.364 188 H ILE 28 H ILE 28 1.406 5.647 6.403 189 HA ILE 28 HA ILE 28 4.087 5.570 5.446 190 HB ILE 28 HB ILE 28 2.540 3.409 6.882 191 HG12 ILE 28 1HG1 ILE 28 4.523 5.190 8.227 192 HG13 ILE 28 2HG1 ILE 28 2.913 5.826 7.909 193 HG21 ILE 28 1HG2 ILE 28 5.512 3.766 6.920 194 HG22 ILE 28 2HG2 ILE 28 4.557 2.336 7.305 195 HG23 ILE 28 3HG2 ILE 28 4.725 2.858 5.629 196 HD11 ILE 28 3HD1 ILE 28 3.289 3.205 9.299 197 HD12 ILE 28 1HD1 ILE 28 3.376 4.732 10.177 198 HD13 ILE 28 2HD1 ILE 28 1.898 4.289 9.322 199 H HIS 29 H HIS 29 1.103 3.986 4.530 200 HA HIS 29 HA HIS 29 2.306 2.009 2.862 201 HB2 HIS 29 1HB HIS 29 0.116 1.548 3.680 202 HB3 HIS 29 2HB HIS 29 -0.507 3.081 3.076 203 HD1 HIS 29 HD1 HIS 29 0.710 -0.271 1.817 204 HD2 HIS 29 HD2 HIS 29 -1.498 3.002 0.523 205 HE1 HIS 29 HE1 HIS 29 -0.260 -0.949 -0.401 206 H GLU 30 H GLU 30 0.628 5.075 2.179 207 HA GLU 30 HA GLU 30 0.796 5.096 -0.567 208 HB2 GLU 30 1HB GLU 30 1.119 7.448 1.306 209 HB3 GLU 30 2HB GLU 30 0.760 7.564 -0.411 210 HG2 GLU 30 1HG GLU 30 -1.381 6.650 -0.139 211 HG3 GLU 30 2HG GLU 30 -1.011 6.055 1.479 212 H ARG 31 H ARG 31 3.348 5.262 1.695 213 HA ARG 31 HA ARG 31 5.269 6.734 0.289 214 HB2 ARG 31 1HB ARG 31 5.604 4.419 2.202 215 HB3 ARG 31 2HB ARG 31 6.929 5.421 1.626 216 HG2 ARG 31 1HG ARG 31 5.879 7.385 2.642 217 HG3 ARG 31 2HG ARG 31 4.565 6.367 3.233 218 HD2 ARG 31 1HD ARG 31 5.961 6.509 5.076 219 HD3 ARG 31 2HD ARG 31 6.453 4.986 4.337 220 HE ARG 31 HE ARG 31 8.161 6.716 3.217 221 HH11 ARG 31 1HH1 ARG 31 7.193 6.230 6.525 222 HH12 ARG 31 2HH1 ARG 31 8.712 6.743 7.182 223 HH21 ARG 31 1HH2 ARG 31 10.166 7.394 4.069 224 HH22 ARG 31 2HH2 ARG 31 10.402 7.405 5.784 225 H ILE 32 H ILE 32 4.155 3.448 -0.079 226 HA ILE 32 HA ILE 32 6.265 2.378 -1.566 227 HB ILE 32 HB ILE 32 4.775 0.678 -2.293 228 HG12 ILE 32 1HG1 ILE 32 2.454 2.431 -1.470 229 HG13 ILE 32 2HG1 ILE 32 3.016 2.265 -3.129 230 HG21 ILE 32 1HG2 ILE 32 4.945 0.053 -0.151 231 HG22 ILE 32 2HG2 ILE 32 4.593 1.673 0.448 232 HG23 ILE 32 3HG2 ILE 32 3.274 0.597 -0.013 233 HD11 ILE 32 3HD1 ILE 32 2.546 -0.154 -3.001 234 HD12 ILE 32 1HD1 ILE 32 1.882 0.093 -1.386 235 HD13 ILE 32 2HD1 ILE 32 1.114 0.851 -2.782 236 H HIS 33 H HIS 33 3.674 4.527 -2.482 237 HA HIS 33 HA HIS 33 4.262 4.256 -5.318 238 HB2 HIS 33 1HB HIS 33 2.336 6.162 -3.979 239 HB3 HIS 33 2HB HIS 33 2.383 5.722 -5.684 240 HD1 HIS 33 HD1 HIS 33 1.988 2.979 -6.044 241 HD2 HIS 33 HD2 HIS 33 0.493 4.756 -2.598 242 HE1 HIS 33 HE1 HIS 33 0.228 1.403 -5.183 243 H THR 34 H THR 34 4.424 6.749 -2.796 244 HA THR 34 HA THR 34 5.247 8.954 -4.093 245 HB THR 34 HB THR 34 6.591 9.590 -2.173 246 HG1 THR 34 HG1 THR 34 7.510 7.337 -2.016 247 HG21 THR 34 3HG2 THR 34 4.913 9.550 -0.553 248 HG22 THR 34 1HG2 THR 34 4.361 7.943 -1.024 249 HG23 THR 34 2HG2 THR 34 4.020 9.331 -2.057 250 H GLY 35 H GLY 35 7.064 5.997 -3.782 251 HA2 GLY 35 1HA GLY 35 9.507 7.205 -4.800 252 HA3 GLY 35 2HA GLY 35 9.284 5.521 -4.349 253 H GLU 36 H GLU 36 8.651 4.039 -5.874 254 HA GLU 36 HA GLU 36 9.187 4.690 -8.586 255 HB2 GLU 36 1HB GLU 36 8.711 2.385 -9.067 256 HB3 GLU 36 2HB GLU 36 9.601 2.457 -7.552 257 HG2 GLU 36 1HG GLU 36 7.959 0.921 -7.081 258 HG3 GLU 36 2HG GLU 36 7.259 2.412 -6.455 259 H SER 37 H SER 37 7.804 4.768 -10.358 260 HA SER 37 HA SER 37 4.983 5.284 -9.686 261 HB2 SER 37 1HB SER 37 4.949 6.671 -11.766 262 HB3 SER 37 2HB SER 37 6.068 7.272 -10.542 263 HG SER 37 HG SER 37 7.766 6.348 -11.702 264 H GLY 38 H GLY 38 7.012 4.118 -12.383 265 HA2 GLY 38 1HA GLY 38 6.725 2.182 -13.645 266 HA3 GLY 38 2HA GLY 38 5.229 1.869 -12.776 267 HA PRO 39 HA PRO 39 4.169 3.196 -17.094 268 HB2 PRO 39 1HB PRO 39 2.378 1.201 -17.521 269 HB3 PRO 39 2HB PRO 39 4.108 1.022 -17.833 270 HG2 PRO 39 1HG PRO 39 2.507 0.124 -15.469 271 HG3 PRO 39 2HG PRO 39 3.779 -0.741 -16.352 272 HD2 PRO 39 1HD PRO 39 4.237 0.513 -13.996 273 HD3 PRO 39 2HD PRO 39 5.473 0.381 -15.264 274 H SER 40 H SER 40 1.701 3.172 -17.947 275 HA SER 40 HA SER 40 -0.308 4.230 -17.780 276 HB2 SER 40 1HB SER 40 -0.179 2.847 -15.099 277 HB3 SER 40 2HB SER 40 -1.597 3.750 -15.633 278 HG SER 40 HG SER 40 -0.612 1.307 -16.497 279 H SER 41 H SER 41 1.827 5.901 -17.390 280 HA SER 41 HA SER 41 0.751 7.793 -15.410 281 HB2 SER 41 1HB SER 41 3.579 6.881 -15.789 282 HB3 SER 41 2HB SER 41 3.274 8.532 -15.252 283 HG SER 41 HG SER 41 3.358 7.410 -13.401 284 H GLY 42 H GLY 42 -0.372 8.712 -17.236 285 HA2 GLY 42 1HA GLY 42 0.663 11.017 -18.253 286 HA3 GLY 42 2HA GLY 42 1.129 9.803 -19.436 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -10.933 -18.017 2.708 2 HA2 GLY 1 1HA GLY 1 -9.912 -15.484 3.536 3 HA3 GLY 1 2HA GLY 1 -10.098 -15.555 1.790 4 H SER 2 H SER 2 -11.741 -15.499 4.858 5 HA SER 2 HA SER 2 -14.377 -15.772 3.763 6 HB2 SER 2 1HB SER 2 -13.290 -15.019 6.465 7 HB3 SER 2 2HB SER 2 -15.010 -14.869 6.109 8 HG SER 2 HG SER 2 -14.837 -16.891 6.861 9 H SER 3 H SER 3 -15.861 -14.209 3.285 10 HA SER 3 HA SER 3 -14.793 -11.536 2.844 11 HB2 SER 3 1HB SER 3 -16.859 -11.175 1.532 12 HB3 SER 3 2HB SER 3 -15.982 -12.608 0.995 13 HG SER 3 HG SER 3 -18.475 -12.392 2.106 14 H GLY 4 H GLY 4 -15.585 -9.676 3.758 15 HA2 GLY 4 1HA GLY 4 -17.825 -9.005 5.010 16 HA3 GLY 4 2HA GLY 4 -17.100 -10.050 6.223 17 H SER 5 H SER 5 -17.583 -6.958 5.601 18 HA SER 5 HA SER 5 -15.184 -5.609 5.664 19 HB2 SER 5 1HB SER 5 -17.862 -4.976 6.886 20 HB3 SER 5 2HB SER 5 -16.500 -3.867 7.043 21 HG SER 5 HG SER 5 -16.519 -3.512 4.903 22 H SER 6 H SER 6 -13.783 -4.900 7.255 23 HA SER 6 HA SER 6 -14.077 -6.185 9.891 24 HB2 SER 6 1HB SER 6 -11.659 -5.942 8.117 25 HB3 SER 6 2HB SER 6 -11.485 -6.143 9.861 26 HG SER 6 HG SER 6 -12.754 -7.896 8.030 27 H GLY 7 H GLY 7 -15.075 -3.650 9.418 28 HA2 GLY 7 1HA GLY 7 -14.851 -1.939 11.189 29 HA3 GLY 7 2HA GLY 7 -13.125 -1.959 10.858 30 H GLN 8 H GLN 8 -14.425 0.421 10.835 31 HA GLN 8 HA GLN 8 -15.036 1.057 8.051 32 HB2 GLN 8 1HB GLN 8 -15.734 3.249 8.922 33 HB3 GLN 8 2HB GLN 8 -16.560 1.928 9.738 34 HG2 GLN 8 1HG GLN 8 -14.789 2.145 11.546 35 HG3 GLN 8 2HG GLN 8 -14.355 3.672 10.779 36 HE21 GLN 8 1HE2 GLN 8 -15.195 3.622 13.371 37 HE22 GLN 8 2HE2 GLN 8 -16.757 4.349 13.498 38 H LYS 9 H LYS 9 -13.264 1.347 6.847 39 HA LYS 9 HA LYS 9 -11.013 2.856 7.977 40 HB2 LYS 9 1HB LYS 9 -11.168 1.093 5.526 41 HB3 LYS 9 2HB LYS 9 -9.731 1.966 6.041 42 HG2 LYS 9 1HG LYS 9 -9.870 0.693 8.208 43 HG3 LYS 9 2HG LYS 9 -11.114 -0.302 7.447 44 HD2 LYS 9 1HD LYS 9 -9.266 -0.486 5.550 45 HD3 LYS 9 2HD LYS 9 -8.193 -0.160 6.913 46 HE2 LYS 9 1HE LYS 9 -8.889 -2.091 8.058 47 HE3 LYS 9 2HE LYS 9 -10.310 -2.287 7.033 48 HZ1 LYS 9 3HZ LYS 9 -7.656 -3.258 6.647 49 HZ2 LYS 9 1HZ LYS 9 -8.195 -2.381 5.304 50 HZ3 LYS 9 2HZ LYS 9 -9.088 -3.704 5.864 51 HA PRO 10 HA PRO 10 -12.886 6.106 5.400 52 HB2 PRO 10 1HB PRO 10 -11.743 8.144 6.782 53 HB3 PRO 10 2HB PRO 10 -13.225 7.338 7.309 54 HG2 PRO 10 1HG PRO 10 -10.409 6.921 8.235 55 HG3 PRO 10 2HG PRO 10 -11.898 7.021 9.193 56 HD2 PRO 10 1HD PRO 10 -10.724 4.662 8.568 57 HD3 PRO 10 2HD PRO 10 -12.482 4.836 8.746 58 H TYR 11 H TYR 11 -9.529 5.966 6.561 59 HA TYR 11 HA TYR 11 -8.490 7.602 4.475 60 HB2 TYR 11 1HB TYR 11 -6.973 5.611 6.169 61 HB3 TYR 11 2HB TYR 11 -6.314 7.004 5.318 62 HD1 TYR 11 HD1 TYR 11 -8.410 5.953 8.171 63 HD2 TYR 11 HD2 TYR 11 -6.382 9.182 6.281 64 HE1 TYR 11 HE1 TYR 11 -8.735 7.328 10.184 65 HE2 TYR 11 HE2 TYR 11 -6.700 10.565 8.290 66 HH TYR 11 HH TYR 11 -7.199 10.434 10.556 67 H VAL 12 H VAL 12 -8.986 6.860 2.461 68 HA VAL 12 HA VAL 12 -8.147 4.125 1.772 69 HB VAL 12 HB VAL 12 -10.030 5.976 0.303 70 HG11 VAL 12 1HG1 VAL 12 -9.463 4.747 -1.479 71 HG12 VAL 12 2HG1 VAL 12 -8.645 3.532 -0.495 72 HG13 VAL 12 3HG1 VAL 12 -10.394 3.459 -0.715 73 HG21 VAL 12 3HG2 VAL 12 -11.060 3.416 1.225 74 HG22 VAL 12 1HG2 VAL 12 -10.517 4.451 2.546 75 HG23 VAL 12 2HG2 VAL 12 -11.730 5.037 1.409 76 H CYS 13 H CYS 13 -6.569 3.776 0.318 77 HA CYS 13 HA CYS 13 -4.900 5.954 -0.469 78 HB2 CYS 13 1HB CYS 13 -4.265 3.482 0.054 79 HB3 CYS 13 2HB CYS 13 -4.681 3.195 -1.632 80 H ASN 14 H ASN 14 -4.757 7.007 -2.369 81 HA ASN 14 HA ASN 14 -6.831 6.481 -4.347 82 HB2 ASN 14 1HB ASN 14 -4.868 8.770 -4.086 83 HB3 ASN 14 2HB ASN 14 -6.132 8.660 -5.308 84 HD21 ASN 14 1HD2 ASN 14 -7.227 10.463 -4.656 85 HD22 ASN 14 2HD2 ASN 14 -8.084 10.562 -3.159 86 H GLU 15 H GLU 15 -3.795 5.396 -3.831 87 HA GLU 15 HA GLU 15 -2.922 5.494 -6.614 88 HB2 GLU 15 1HB GLU 15 -1.628 4.671 -4.036 89 HB3 GLU 15 2HB GLU 15 -0.949 4.147 -5.571 90 HG2 GLU 15 1HG GLU 15 0.248 6.056 -5.173 91 HG3 GLU 15 2HG GLU 15 -1.064 6.673 -6.176 92 H CYS 16 H CYS 16 -3.770 3.113 -4.126 93 HA CYS 16 HA CYS 16 -4.125 1.125 -6.273 94 HB2 CYS 16 1HB CYS 16 -3.601 -0.616 -4.602 95 HB3 CYS 16 2HB CYS 16 -2.259 0.499 -4.835 96 H GLY 17 H GLY 17 -5.334 2.389 -3.209 97 HA2 GLY 17 1HA GLY 17 -7.748 2.700 -3.019 98 HA3 GLY 17 2HA GLY 17 -7.943 1.163 -3.848 99 H LYS 18 H LYS 18 -5.459 1.422 -1.469 100 HA LYS 18 HA LYS 18 -6.784 -0.563 0.162 101 HB2 LYS 18 1HB LYS 18 -4.232 -0.324 -0.446 102 HB3 LYS 18 2HB LYS 18 -4.211 0.743 0.952 103 HG2 LYS 18 1HG LYS 18 -4.697 -0.964 2.430 104 HG3 LYS 18 2HG LYS 18 -5.400 -1.987 1.175 105 HD2 LYS 18 1HD LYS 18 -3.124 -2.225 0.188 106 HD3 LYS 18 2HD LYS 18 -2.480 -1.341 1.574 107 HE2 LYS 18 1HE LYS 18 -3.129 -3.050 3.078 108 HE3 LYS 18 2HE LYS 18 -4.130 -3.841 1.862 109 HZ1 LYS 18 3HZ LYS 18 -1.424 -4.284 2.442 110 HZ2 LYS 18 1HZ LYS 18 -1.528 -3.682 0.864 111 HZ3 LYS 18 2HZ LYS 18 -2.394 -5.067 1.299 112 H ALA 19 H ALA 19 -7.889 -0.206 1.977 113 HA ALA 19 HA ALA 19 -8.049 2.535 2.984 114 HB1 ALA 19 3HB ALA 19 -10.122 1.271 2.395 115 HB2 ALA 19 1HB ALA 19 -9.776 0.186 3.741 116 HB3 ALA 19 2HB ALA 19 -10.091 1.895 4.044 117 H PHE 20 H PHE 20 -7.649 3.093 5.109 118 HA PHE 20 HA PHE 20 -6.547 1.014 6.863 119 HB2 PHE 20 1HB PHE 20 -5.265 3.720 6.439 120 HB3 PHE 20 2HB PHE 20 -4.679 2.434 7.489 121 HD1 PHE 20 HD1 PHE 20 -5.368 3.263 3.941 122 HD2 PHE 20 HD2 PHE 20 -3.219 0.812 6.677 123 HE1 PHE 20 HE1 PHE 20 -4.035 2.361 2.080 124 HE2 PHE 20 HE2 PHE 20 -1.882 -0.093 4.821 125 HZ PHE 20 HZ PHE 20 -2.288 0.682 2.519 126 H GLY 21 H GLY 21 -7.766 0.990 8.629 127 HA2 GLY 21 1HA GLY 21 -9.644 2.813 9.429 128 HA3 GLY 21 2HA GLY 21 -8.812 1.735 10.540 129 H LEU 22 H LEU 22 -6.225 3.127 9.702 130 HA LEU 22 HA LEU 22 -6.583 5.502 11.411 131 HB2 LEU 22 1HB LEU 22 -4.508 3.392 11.325 132 HB3 LEU 22 2HB LEU 22 -3.961 5.037 11.642 133 HG LEU 22 HG LEU 22 -6.004 3.532 13.276 134 HD11 LEU 22 1HD1 LEU 22 -3.195 3.319 13.249 135 HD12 LEU 22 2HD1 LEU 22 -4.329 2.641 14.417 136 HD13 LEU 22 3HD1 LEU 22 -3.629 4.236 14.692 137 HD21 LEU 22 3HD2 LEU 22 -5.424 5.466 14.881 138 HD22 LEU 22 1HD2 LEU 22 -6.533 5.779 13.545 139 HD23 LEU 22 2HD2 LEU 22 -4.849 6.292 13.432 140 H LYS 23 H LYS 23 -5.150 7.309 10.985 141 HA LYS 23 HA LYS 23 -4.989 7.897 8.197 142 HB2 LYS 23 1HB LYS 23 -5.486 9.572 10.002 143 HB3 LYS 23 2HB LYS 23 -3.800 9.465 10.490 144 HG2 LYS 23 1HG LYS 23 -3.073 10.342 8.380 145 HG3 LYS 23 2HG LYS 23 -4.720 10.297 7.747 146 HD2 LYS 23 1HD LYS 23 -5.265 11.838 9.764 147 HD3 LYS 23 2HD LYS 23 -3.524 12.131 9.790 148 HE2 LYS 23 1HE LYS 23 -4.163 13.812 8.389 149 HE3 LYS 23 2HE LYS 23 -3.923 12.529 7.204 150 HZ1 LYS 23 3HZ LYS 23 -6.570 12.593 8.338 151 HZ2 LYS 23 1HZ LYS 23 -6.088 12.475 6.721 152 HZ3 LYS 23 2HZ LYS 23 -6.173 13.990 7.469 153 H SER 24 H SER 24 -2.430 7.975 10.684 154 HA SER 24 HA SER 24 -0.236 8.158 9.077 155 HB2 SER 24 1HB SER 24 1.061 7.323 10.874 156 HB3 SER 24 2HB SER 24 -0.344 8.069 11.635 157 HG SER 24 HG SER 24 -1.267 5.907 11.659 158 H GLN 25 H GLN 25 -2.026 5.220 9.892 159 HA GLN 25 HA GLN 25 -0.383 3.280 8.854 160 HB2 GLN 25 1HB GLN 25 -3.393 3.481 8.813 161 HB3 GLN 25 2HB GLN 25 -2.524 2.036 8.313 162 HG2 GLN 25 1HG GLN 25 -2.525 3.300 11.042 163 HG3 GLN 25 2HG GLN 25 -3.257 1.766 10.573 164 HE21 GLN 25 1HE2 GLN 25 -1.158 2.484 12.563 165 HE22 GLN 25 2HE2 GLN 25 0.177 1.453 12.192 166 H LEU 26 H LEU 26 -2.641 5.372 7.114 167 HA LEU 26 HA LEU 26 -2.143 4.143 4.573 168 HB2 LEU 26 1HB LEU 26 -4.257 5.182 4.911 169 HB3 LEU 26 2HB LEU 26 -3.502 6.700 5.389 170 HG LEU 26 HG LEU 26 -2.627 6.867 3.023 171 HD11 LEU 26 1HD1 LEU 26 -3.192 5.395 1.413 172 HD12 LEU 26 2HD1 LEU 26 -4.780 5.075 2.109 173 HD13 LEU 26 3HD1 LEU 26 -3.351 4.289 2.778 174 HD21 LEU 26 3HD2 LEU 26 -4.425 8.115 2.455 175 HD22 LEU 26 1HD2 LEU 26 -4.883 7.797 4.128 176 HD23 LEU 26 2HD2 LEU 26 -5.576 6.830 2.826 177 H ILE 27 H ILE 27 -1.012 7.042 6.243 178 HA ILE 27 HA ILE 27 0.385 8.256 4.170 179 HB ILE 27 HB ILE 27 1.258 8.199 7.059 180 HG12 ILE 27 1HG1 ILE 27 -0.709 10.039 5.678 181 HG13 ILE 27 2HG1 ILE 27 -1.116 8.811 6.871 182 HG21 ILE 27 1HG2 ILE 27 2.957 9.367 6.172 183 HG22 ILE 27 2HG2 ILE 27 2.083 9.696 4.677 184 HG23 ILE 27 3HG2 ILE 27 1.789 10.686 6.106 185 HD11 ILE 27 3HD1 ILE 27 0.898 10.596 7.887 186 HD12 ILE 27 1HD1 ILE 27 -0.522 11.484 7.336 187 HD13 ILE 27 2HD1 ILE 27 -0.694 10.203 8.537 188 H ILE 28 H ILE 28 1.429 5.724 6.414 189 HA ILE 28 HA ILE 28 4.103 5.601 5.454 190 HB ILE 28 HB ILE 28 2.530 3.476 6.914 191 HG12 ILE 28 1HG1 ILE 28 4.542 5.238 8.239 192 HG13 ILE 28 2HG1 ILE 28 2.946 5.902 7.910 193 HG21 ILE 28 1HG2 ILE 28 5.511 3.802 6.901 194 HG22 ILE 28 2HG2 ILE 28 4.552 2.402 7.378 195 HG23 ILE 28 3HG2 ILE 28 4.681 2.843 5.676 196 HD11 ILE 28 3HD1 ILE 28 1.984 3.944 9.132 197 HD12 ILE 28 1HD1 ILE 28 3.629 3.522 9.609 198 HD13 ILE 28 2HD1 ILE 28 2.928 5.058 10.121 199 H HIS 29 H HIS 29 1.105 4.046 4.543 200 HA HIS 29 HA HIS 29 2.287 2.030 2.906 201 HB2 HIS 29 1HB HIS 29 0.078 1.632 3.728 202 HB3 HIS 29 2HB HIS 29 -0.512 3.153 3.066 203 HD1 HIS 29 HD1 HIS 29 0.631 -0.271 1.956 204 HD2 HIS 29 HD2 HIS 29 -1.428 3.023 0.481 205 HE1 HIS 29 HE1 HIS 29 -0.308 -1.002 -0.260 206 H GLU 30 H GLU 30 0.584 5.067 2.133 207 HA GLU 30 HA GLU 30 0.801 5.062 -0.596 208 HB2 GLU 30 1HB GLU 30 1.158 7.455 1.218 209 HB3 GLU 30 2HB GLU 30 0.753 7.518 -0.492 210 HG2 GLU 30 1HG GLU 30 -1.385 6.645 -0.139 211 HG3 GLU 30 2HG GLU 30 -0.976 6.062 1.473 212 H ARG 31 H ARG 31 3.337 5.276 1.691 213 HA ARG 31 HA ARG 31 5.286 6.707 0.316 214 HB2 ARG 31 1HB ARG 31 5.581 4.336 2.166 215 HB3 ARG 31 2HB ARG 31 6.922 5.335 1.622 216 HG2 ARG 31 1HG ARG 31 5.931 7.279 2.701 217 HG3 ARG 31 2HG ARG 31 4.560 6.297 3.223 218 HD2 ARG 31 1HD ARG 31 5.938 6.357 5.100 219 HD3 ARG 31 2HD ARG 31 6.322 4.807 4.352 220 HE ARG 31 HE ARG 31 8.184 6.385 3.276 221 HH11 ARG 31 1HH1 ARG 31 7.102 6.038 6.567 222 HH12 ARG 31 2HH1 ARG 31 8.640 6.447 7.253 223 HH21 ARG 31 1HH2 ARG 31 10.213 6.925 4.167 224 HH22 ARG 31 2HH2 ARG 31 10.408 6.952 5.887 225 H ILE 32 H ILE 32 4.249 3.366 -0.032 226 HA ILE 32 HA ILE 32 6.318 2.366 -1.593 227 HB ILE 32 HB ILE 32 4.818 0.668 -2.350 228 HG12 ILE 32 1HG1 ILE 32 2.496 2.301 -1.322 229 HG13 ILE 32 2HG1 ILE 32 3.006 2.321 -3.007 230 HG21 ILE 32 1HG2 ILE 32 3.803 -0.071 -0.244 231 HG22 ILE 32 2HG2 ILE 32 5.436 0.548 -0.003 232 HG23 ILE 32 3HG2 ILE 32 4.044 1.540 0.430 233 HD11 ILE 32 3HD1 ILE 32 1.469 0.703 -3.204 234 HD12 ILE 32 1HD1 ILE 32 2.769 -0.329 -2.609 235 HD13 ILE 32 2HD1 ILE 32 1.542 0.275 -1.495 236 H HIS 33 H HIS 33 3.693 4.498 -2.439 237 HA HIS 33 HA HIS 33 4.230 4.264 -5.288 238 HB2 HIS 33 1HB HIS 33 2.318 6.141 -3.890 239 HB3 HIS 33 2HB HIS 33 2.337 5.726 -5.601 240 HD1 HIS 33 HD1 HIS 33 2.019 2.940 -5.939 241 HD2 HIS 33 HD2 HIS 33 0.441 4.752 -2.549 242 HE1 HIS 33 HE1 HIS 33 0.267 1.353 -5.082 243 H THR 34 H THR 34 4.441 6.720 -2.735 244 HA THR 34 HA THR 34 5.243 8.934 -4.065 245 HB THR 34 HB THR 34 6.516 9.621 -2.129 246 HG1 THR 34 HG1 THR 34 7.743 7.848 -1.629 247 HG21 THR 34 3HG2 THR 34 3.971 9.316 -2.017 248 HG22 THR 34 1HG2 THR 34 4.838 9.492 -0.492 249 HG23 THR 34 2HG2 THR 34 4.313 7.896 -1.030 250 H GLY 35 H GLY 35 7.270 6.129 -3.317 251 HA2 GLY 35 1HA GLY 35 9.127 7.006 -5.410 252 HA3 GLY 35 2HA GLY 35 9.777 6.701 -3.806 253 H GLU 36 H GLU 36 9.468 5.380 -6.757 254 HA GLU 36 HA GLU 36 8.727 2.697 -6.082 255 HB2 GLU 36 1HB GLU 36 8.537 3.804 -8.372 256 HB3 GLU 36 2HB GLU 36 10.271 3.557 -8.524 257 HG2 GLU 36 1HG GLU 36 8.825 1.822 -9.608 258 HG3 GLU 36 2HG GLU 36 10.040 1.209 -8.487 259 H SER 37 H SER 37 9.963 1.079 -5.365 260 HA SER 37 HA SER 37 12.884 1.347 -5.523 261 HB2 SER 37 1HB SER 37 11.863 1.990 -3.233 262 HB3 SER 37 2HB SER 37 11.561 0.263 -3.045 263 HG SER 37 HG SER 37 13.688 -0.123 -2.982 264 H GLY 38 H GLY 38 13.975 -0.778 -4.923 265 HA2 GLY 38 1HA GLY 38 14.079 -3.113 -4.995 266 HA3 GLY 38 2HA GLY 38 12.370 -3.154 -5.401 267 HA PRO 39 HA PRO 39 15.335 -3.445 -9.193 268 HB2 PRO 39 1HB PRO 39 15.840 -6.111 -9.287 269 HB3 PRO 39 2HB PRO 39 16.893 -4.963 -8.453 270 HG2 PRO 39 1HG PRO 39 14.789 -6.769 -7.324 271 HG3 PRO 39 2HG PRO 39 16.413 -6.418 -6.704 272 HD2 PRO 39 1HD PRO 39 14.185 -5.252 -5.699 273 HD3 PRO 39 2HD PRO 39 15.755 -4.424 -5.753 274 H SER 40 H SER 40 13.191 -6.095 -8.130 275 HA SER 40 HA SER 40 11.908 -6.027 -10.774 276 HB2 SER 40 1HB SER 40 11.765 -8.186 -8.656 277 HB3 SER 40 2HB SER 40 11.103 -8.278 -10.288 278 HG SER 40 HG SER 40 12.984 -9.047 -10.800 279 H SER 41 H SER 41 9.503 -6.768 -10.615 280 HA SER 41 HA SER 41 8.220 -5.107 -8.547 281 HB2 SER 41 1HB SER 41 7.531 -5.611 -11.430 282 HB3 SER 41 2HB SER 41 6.288 -5.095 -10.290 283 HG SER 41 HG SER 41 8.647 -3.649 -10.239 284 H GLY 42 H GLY 42 7.622 -7.958 -10.608 285 HA2 GLY 42 1HA GLY 42 6.907 -10.065 -9.838 286 HA3 GLY 42 2HA GLY 42 6.477 -9.333 -8.300 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -16.155 -7.935 -2.849 2 HA2 GLY 1 1HA GLY 1 -14.589 -9.184 -4.655 3 HA3 GLY 1 2HA GLY 1 -13.536 -7.899 -4.082 4 H SER 2 H SER 2 -12.421 -10.130 -3.608 5 HA SER 2 HA SER 2 -13.313 -11.429 -1.195 6 HB2 SER 2 1HB SER 2 -11.228 -12.755 -1.430 7 HB3 SER 2 2HB SER 2 -12.188 -12.747 -2.910 8 HG SER 2 HG SER 2 -9.696 -12.152 -2.748 9 H SER 3 H SER 3 -13.324 -9.728 0.319 10 HA SER 3 HA SER 3 -10.857 -9.389 1.715 11 HB2 SER 3 1HB SER 3 -11.902 -7.168 0.010 12 HB3 SER 3 2HB SER 3 -11.177 -6.764 1.566 13 HG SER 3 HG SER 3 -9.901 -8.410 -0.353 14 H GLY 4 H GLY 4 -11.165 -7.875 3.635 15 HA2 GLY 4 1HA GLY 4 -13.984 -7.771 4.477 16 HA3 GLY 4 2HA GLY 4 -12.801 -8.570 5.502 17 H SER 5 H SER 5 -14.068 -6.687 6.761 18 HA SER 5 HA SER 5 -12.061 -4.633 7.145 19 HB2 SER 5 1HB SER 5 -14.915 -3.908 6.437 20 HB3 SER 5 2HB SER 5 -13.685 -2.773 6.993 21 HG SER 5 HG SER 5 -12.898 -2.724 5.050 22 H SER 6 H SER 6 -11.685 -4.953 9.243 23 HA SER 6 HA SER 6 -13.377 -6.044 11.129 24 HB2 SER 6 1HB SER 6 -11.886 -5.068 12.827 25 HB3 SER 6 2HB SER 6 -10.963 -5.753 11.489 26 HG SER 6 HG SER 6 -10.865 -3.289 12.423 27 H GLY 7 H GLY 7 -12.818 -2.596 10.443 28 HA2 GLY 7 1HA GLY 7 -15.462 -2.034 11.604 29 HA3 GLY 7 2HA GLY 7 -14.069 -1.115 12.156 30 H GLN 8 H GLN 8 -14.032 0.842 11.296 31 HA GLN 8 HA GLN 8 -14.935 1.164 8.510 32 HB2 GLN 8 1HB GLN 8 -15.551 3.456 9.075 33 HB3 GLN 8 2HB GLN 8 -16.377 2.316 10.129 34 HG2 GLN 8 1HG GLN 8 -14.678 2.760 11.870 35 HG3 GLN 8 2HG GLN 8 -13.970 3.985 10.817 36 HE21 GLN 8 1HE2 GLN 8 -17.096 3.057 12.212 37 HE22 GLN 8 2HE2 GLN 8 -17.625 4.669 12.536 38 H LYS 9 H LYS 9 -13.471 1.801 7.076 39 HA LYS 9 HA LYS 9 -10.982 3.026 8.073 40 HB2 LYS 9 1HB LYS 9 -11.362 1.255 5.651 41 HB3 LYS 9 2HB LYS 9 -9.847 2.004 6.137 42 HG2 LYS 9 1HG LYS 9 -10.023 0.735 8.293 43 HG3 LYS 9 2HG LYS 9 -11.385 -0.136 7.585 44 HD2 LYS 9 1HD LYS 9 -9.646 -0.502 5.617 45 HD3 LYS 9 2HD LYS 9 -8.487 -0.267 6.928 46 HE2 LYS 9 1HE LYS 9 -9.973 -1.998 8.182 47 HE3 LYS 9 2HE LYS 9 -10.537 -2.416 6.565 48 HZ1 LYS 9 3HZ LYS 9 -7.896 -2.407 6.201 49 HZ2 LYS 9 1HZ LYS 9 -8.779 -3.789 6.617 50 HZ3 LYS 9 2HZ LYS 9 -7.969 -2.911 7.814 51 HA PRO 10 HA PRO 10 -12.895 6.272 5.486 52 HB2 PRO 10 1HB PRO 10 -11.735 8.320 6.840 53 HB3 PRO 10 2HB PRO 10 -13.225 7.534 7.377 54 HG2 PRO 10 1HG PRO 10 -10.414 7.105 8.313 55 HG3 PRO 10 2HG PRO 10 -11.903 7.231 9.267 56 HD2 PRO 10 1HD PRO 10 -10.749 4.854 8.676 57 HD3 PRO 10 2HD PRO 10 -12.505 5.046 8.849 58 H TYR 11 H TYR 11 -9.542 5.998 6.604 59 HA TYR 11 HA TYR 11 -8.480 7.639 4.516 60 HB2 TYR 11 1HB TYR 11 -6.974 5.639 6.206 61 HB3 TYR 11 2HB TYR 11 -6.319 7.043 5.371 62 HD1 TYR 11 HD1 TYR 11 -8.393 5.948 8.220 63 HD2 TYR 11 HD2 TYR 11 -6.404 9.214 6.355 64 HE1 TYR 11 HE1 TYR 11 -8.717 7.297 10.251 65 HE2 TYR 11 HE2 TYR 11 -6.722 10.572 8.381 66 HH TYR 11 HH TYR 11 -7.671 9.259 11.344 67 H VAL 12 H VAL 12 -8.906 6.916 2.496 68 HA VAL 12 HA VAL 12 -8.109 4.156 1.839 69 HB VAL 12 HB VAL 12 -10.036 5.965 0.375 70 HG11 VAL 12 1HG1 VAL 12 -8.524 4.136 -0.835 71 HG12 VAL 12 2HG1 VAL 12 -9.809 3.077 -0.248 72 HG13 VAL 12 3HG1 VAL 12 -10.198 4.439 -1.300 73 HG21 VAL 12 3HG2 VAL 12 -10.724 4.895 2.606 74 HG22 VAL 12 1HG2 VAL 12 -11.784 4.664 1.215 75 HG23 VAL 12 2HG2 VAL 12 -10.701 3.368 1.723 76 H CYS 13 H CYS 13 -6.511 3.820 0.416 77 HA CYS 13 HA CYS 13 -4.874 5.979 -0.425 78 HB2 CYS 13 1HB CYS 13 -4.248 3.498 0.048 79 HB3 CYS 13 2HB CYS 13 -4.718 3.231 -1.627 80 H ASN 14 H ASN 14 -4.574 6.892 -2.428 81 HA ASN 14 HA ASN 14 -6.772 6.495 -4.322 82 HB2 ASN 14 1HB ASN 14 -5.875 8.797 -3.321 83 HB3 ASN 14 2HB ASN 14 -4.768 8.671 -4.685 84 HD21 ASN 14 1HD2 ASN 14 -5.588 10.323 -5.872 85 HD22 ASN 14 2HD2 ASN 14 -7.169 10.313 -6.567 86 H GLU 15 H GLU 15 -3.655 5.462 -3.866 87 HA GLU 15 HA GLU 15 -2.874 5.480 -6.664 88 HB2 GLU 15 1HB GLU 15 -1.559 4.596 -4.115 89 HB3 GLU 15 2HB GLU 15 -0.919 4.081 -5.669 90 HG2 GLU 15 1HG GLU 15 0.151 6.114 -4.666 91 HG3 GLU 15 2HG GLU 15 -0.436 6.295 -6.318 92 H CYS 16 H CYS 16 -3.704 3.098 -4.166 93 HA CYS 16 HA CYS 16 -4.166 1.134 -6.316 94 HB2 CYS 16 1HB CYS 16 -3.683 -0.622 -4.627 95 HB3 CYS 16 2HB CYS 16 -2.302 0.424 -4.940 96 H GLY 17 H GLY 17 -5.290 2.423 -3.232 97 HA2 GLY 17 1HA GLY 17 -7.688 2.795 -2.990 98 HA3 GLY 17 2HA GLY 17 -7.943 1.273 -3.832 99 H LYS 18 H LYS 18 -5.412 1.433 -1.495 100 HA LYS 18 HA LYS 18 -6.729 -0.556 0.122 101 HB2 LYS 18 1HB LYS 18 -4.163 -0.228 -0.475 102 HB3 LYS 18 2HB LYS 18 -4.190 0.750 0.987 103 HG2 LYS 18 1HG LYS 18 -4.801 -1.083 2.327 104 HG3 LYS 18 2HG LYS 18 -5.227 -2.067 0.925 105 HD2 LYS 18 1HD LYS 18 -2.862 -2.078 0.241 106 HD3 LYS 18 2HD LYS 18 -2.455 -1.138 1.679 107 HE2 LYS 18 1HE LYS 18 -3.799 -3.834 1.761 108 HE3 LYS 18 2HE LYS 18 -2.054 -3.608 1.871 109 HZ1 LYS 18 3HZ LYS 18 -2.605 -2.060 3.799 110 HZ2 LYS 18 1HZ LYS 18 -2.766 -3.723 4.067 111 HZ3 LYS 18 2HZ LYS 18 -4.138 -2.774 3.790 112 H ALA 19 H ALA 19 -7.885 -0.218 1.904 113 HA ALA 19 HA ALA 19 -8.080 2.500 2.952 114 HB1 ALA 19 3HB ALA 19 -9.766 0.047 3.423 115 HB2 ALA 19 1HB ALA 19 -10.043 1.609 4.194 116 HB3 ALA 19 2HB ALA 19 -10.175 1.454 2.441 117 H PHE 20 H PHE 20 -7.766 3.027 5.117 118 HA PHE 20 HA PHE 20 -6.588 0.969 6.841 119 HB2 PHE 20 1HB PHE 20 -5.373 3.710 6.448 120 HB3 PHE 20 2HB PHE 20 -4.758 2.427 7.486 121 HD1 PHE 20 HD1 PHE 20 -5.477 3.256 3.941 122 HD2 PHE 20 HD2 PHE 20 -3.238 0.872 6.665 123 HE1 PHE 20 HE1 PHE 20 -4.116 2.407 2.075 124 HE2 PHE 20 HE2 PHE 20 -1.873 0.021 4.804 125 HZ PHE 20 HZ PHE 20 -2.311 0.788 2.505 126 H GLY 21 H GLY 21 -7.633 0.930 8.712 127 HA2 GLY 21 1HA GLY 21 -9.619 2.699 9.492 128 HA3 GLY 21 2HA GLY 21 -8.770 1.617 10.585 129 H LEU 22 H LEU 22 -6.246 3.166 9.616 130 HA LEU 22 HA LEU 22 -6.624 5.479 11.402 131 HB2 LEU 22 1HB LEU 22 -4.525 3.396 11.319 132 HB3 LEU 22 2HB LEU 22 -3.990 5.047 11.624 133 HG LEU 22 HG LEU 22 -6.003 3.522 13.276 134 HD11 LEU 22 1HD1 LEU 22 -3.123 3.576 13.294 135 HD12 LEU 22 2HD1 LEU 22 -4.236 2.595 14.246 136 HD13 LEU 22 3HD1 LEU 22 -3.778 4.202 14.807 137 HD21 LEU 22 3HD2 LEU 22 -4.898 6.306 13.429 138 HD22 LEU 22 1HD2 LEU 22 -5.506 5.476 14.861 139 HD23 LEU 22 2HD2 LEU 22 -6.579 5.774 13.493 140 H LYS 23 H LYS 23 -5.089 7.265 11.018 141 HA LYS 23 HA LYS 23 -4.979 7.891 8.222 142 HB2 LYS 23 1HB LYS 23 -5.481 9.543 10.056 143 HB3 LYS 23 2HB LYS 23 -3.785 9.455 10.513 144 HG2 LYS 23 1HG LYS 23 -3.129 10.306 8.339 145 HG3 LYS 23 2HG LYS 23 -4.817 10.337 7.825 146 HD2 LYS 23 1HD LYS 23 -5.350 12.062 9.347 147 HD3 LYS 23 2HD LYS 23 -3.835 11.856 10.229 148 HE2 LYS 23 1HE LYS 23 -3.947 12.712 7.346 149 HE3 LYS 23 2HE LYS 23 -3.978 13.859 8.684 150 HZ1 LYS 23 3HZ LYS 23 -1.866 12.193 9.220 151 HZ2 LYS 23 1HZ LYS 23 -1.776 13.777 8.632 152 HZ3 LYS 23 2HZ LYS 23 -1.764 12.474 7.555 153 H SER 24 H SER 24 -2.412 8.015 10.696 154 HA SER 24 HA SER 24 -0.231 8.188 9.066 155 HB2 SER 24 1HB SER 24 0.194 8.345 11.372 156 HB3 SER 24 2HB SER 24 -0.607 6.811 11.716 157 HG SER 24 HG SER 24 1.706 6.921 10.105 158 H GLN 25 H GLN 25 -2.068 5.296 9.870 159 HA GLN 25 HA GLN 25 -0.397 3.318 8.920 160 HB2 GLN 25 1HB GLN 25 -3.404 3.531 8.828 161 HB3 GLN 25 2HB GLN 25 -2.535 2.073 8.369 162 HG2 GLN 25 1HG GLN 25 -2.543 3.391 11.073 163 HG3 GLN 25 2HG GLN 25 -3.321 1.872 10.629 164 HE21 GLN 25 1HE2 GLN 25 -1.458 2.200 12.723 165 HE22 GLN 25 2HE2 GLN 25 -0.059 1.260 12.342 166 H LEU 26 H LEU 26 -2.714 5.288 7.094 167 HA LEU 26 HA LEU 26 -2.122 4.040 4.592 168 HB2 LEU 26 1HB LEU 26 -4.265 5.029 4.860 169 HB3 LEU 26 2HB LEU 26 -3.562 6.573 5.338 170 HG LEU 26 HG LEU 26 -2.637 6.733 2.988 171 HD11 LEU 26 1HD1 LEU 26 -3.910 5.393 1.299 172 HD12 LEU 26 2HD1 LEU 26 -4.488 4.387 2.627 173 HD13 LEU 26 3HD1 LEU 26 -2.763 4.469 2.269 174 HD21 LEU 26 3HD2 LEU 26 -5.621 6.608 2.918 175 HD22 LEU 26 1HD2 LEU 26 -4.531 7.816 2.238 176 HD23 LEU 26 2HD2 LEU 26 -4.814 7.764 3.978 177 H ILE 27 H ILE 27 -1.103 7.017 6.200 178 HA ILE 27 HA ILE 27 0.291 8.232 4.139 179 HB ILE 27 HB ILE 27 1.199 8.206 7.016 180 HG12 ILE 27 1HG1 ILE 27 -0.946 9.858 5.669 181 HG13 ILE 27 2HG1 ILE 27 -1.162 8.723 6.998 182 HG21 ILE 27 1HG2 ILE 27 1.625 10.706 6.118 183 HG22 ILE 27 2HG2 ILE 27 2.828 9.420 6.037 184 HG23 ILE 27 3HG2 ILE 27 1.846 9.798 4.622 185 HD11 ILE 27 3HD1 ILE 27 -1.172 10.681 8.145 186 HD12 ILE 27 1HD1 ILE 27 0.556 10.332 8.184 187 HD13 ILE 27 2HD1 ILE 27 -0.086 11.483 7.012 188 H ILE 28 H ILE 28 1.405 5.756 6.418 189 HA ILE 28 HA ILE 28 4.071 5.674 5.439 190 HB ILE 28 HB ILE 28 2.553 3.539 6.943 191 HG12 ILE 28 1HG1 ILE 28 4.541 5.360 8.223 192 HG13 ILE 28 2HG1 ILE 28 2.929 5.987 7.897 193 HG21 ILE 28 1HG2 ILE 28 5.062 3.132 7.678 194 HG22 ILE 28 2HG2 ILE 28 4.387 2.389 6.229 195 HG23 ILE 28 3HG2 ILE 28 5.382 3.838 6.094 196 HD11 ILE 28 3HD1 ILE 28 1.955 4.195 9.218 197 HD12 ILE 28 1HD1 ILE 28 3.562 3.537 9.525 198 HD13 ILE 28 2HD1 ILE 28 3.121 5.122 10.162 199 H HIS 29 H HIS 29 1.097 4.098 4.525 200 HA HIS 29 HA HIS 29 2.304 2.056 2.932 201 HB2 HIS 29 1HB HIS 29 0.113 1.602 3.713 202 HB3 HIS 29 2HB HIS 29 -0.499 3.146 3.129 203 HD1 HIS 29 HD1 HIS 29 0.620 -0.227 1.863 204 HD2 HIS 29 HD2 HIS 29 -1.437 3.133 0.544 205 HE1 HIS 29 HE1 HIS 29 -0.349 -0.865 -0.369 206 H GLU 30 H GLU 30 0.644 5.108 2.146 207 HA GLU 30 HA GLU 30 0.852 5.054 -0.598 208 HB2 GLU 30 1HB GLU 30 1.172 7.473 1.187 209 HB3 GLU 30 2HB GLU 30 0.773 7.508 -0.525 210 HG2 GLU 30 1HG GLU 30 -1.347 6.533 -0.147 211 HG3 GLU 30 2HG GLU 30 -0.936 6.120 1.516 212 H ARG 31 H ARG 31 3.371 5.256 1.689 213 HA ARG 31 HA ARG 31 5.315 6.707 0.295 214 HB2 ARG 31 1HB ARG 31 5.623 4.402 2.225 215 HB3 ARG 31 2HB ARG 31 6.953 5.406 1.665 216 HG2 ARG 31 1HG ARG 31 5.918 7.365 2.672 217 HG3 ARG 31 2HG ARG 31 4.558 6.377 3.209 218 HD2 ARG 31 1HD ARG 31 6.083 6.701 5.047 219 HD3 ARG 31 2HD ARG 31 6.124 5.011 4.544 220 HE ARG 31 HE ARG 31 8.166 6.067 3.157 221 HH11 ARG 31 1HH1 ARG 31 7.273 6.260 6.516 222 HH12 ARG 31 2HH1 ARG 31 8.905 6.423 7.075 223 HH21 ARG 31 1HH2 ARG 31 10.319 6.280 3.881 224 HH22 ARG 31 2HH2 ARG 31 10.637 6.435 5.576 225 H ILE 32 H ILE 32 4.141 3.461 -0.119 226 HA ILE 32 HA ILE 32 6.286 2.364 -1.561 227 HB ILE 32 HB ILE 32 4.776 0.674 -2.320 228 HG12 ILE 32 1HG1 ILE 32 2.489 2.418 -1.389 229 HG13 ILE 32 2HG1 ILE 32 2.992 2.269 -3.069 230 HG21 ILE 32 1HG2 ILE 32 5.274 0.320 -0.069 231 HG22 ILE 32 2HG2 ILE 32 4.263 1.662 0.462 232 HG23 ILE 32 3HG2 ILE 32 3.518 0.181 -0.138 233 HD11 ILE 32 3HD1 ILE 32 1.519 0.376 -1.350 234 HD12 ILE 32 1HD1 ILE 32 1.345 0.728 -3.069 235 HD13 ILE 32 2HD1 ILE 32 2.656 -0.311 -2.510 236 H HIS 33 H HIS 33 3.729 4.536 -2.490 237 HA HIS 33 HA HIS 33 4.321 4.237 -5.326 238 HB2 HIS 33 1HB HIS 33 2.390 6.161 -4.022 239 HB3 HIS 33 2HB HIS 33 2.439 5.683 -5.716 240 HD1 HIS 33 HD1 HIS 33 2.107 2.889 -5.958 241 HD2 HIS 33 HD2 HIS 33 0.477 4.834 -2.668 242 HE1 HIS 33 HE1 HIS 33 0.327 1.346 -5.079 243 H THR 34 H THR 34 4.468 6.742 -2.815 244 HA THR 34 HA THR 34 5.292 8.944 -4.110 245 HB THR 34 HB THR 34 6.646 9.576 -2.192 246 HG1 THR 34 HG1 THR 34 6.896 7.890 -0.511 247 HG21 THR 34 3HG2 THR 34 4.374 7.937 -1.101 248 HG22 THR 34 1HG2 THR 34 4.096 9.393 -2.056 249 HG23 THR 34 2HG2 THR 34 4.981 9.492 -0.533 250 H GLY 35 H GLY 35 7.248 6.062 -3.572 251 HA2 GLY 35 1HA GLY 35 9.328 7.257 -5.300 252 HA3 GLY 35 2HA GLY 35 9.694 6.161 -3.976 253 H GLU 36 H GLU 36 9.362 3.951 -4.226 254 HA GLU 36 HA GLU 36 8.147 2.853 -6.568 255 HB2 GLU 36 1HB GLU 36 10.204 3.552 -7.622 256 HB3 GLU 36 2HB GLU 36 11.159 2.815 -6.343 257 HG2 GLU 36 1HG GLU 36 11.163 1.480 -8.389 258 HG3 GLU 36 2HG GLU 36 10.449 0.612 -7.031 259 H SER 37 H SER 37 7.860 0.621 -6.436 260 HA SER 37 HA SER 37 8.435 -0.500 -3.787 261 HB2 SER 37 1HB SER 37 6.420 -1.292 -5.901 262 HB3 SER 37 2HB SER 37 6.675 -2.182 -4.400 263 HG SER 37 HG SER 37 6.207 0.566 -4.234 264 H GLY 38 H GLY 38 8.837 -2.899 -3.733 265 HA2 GLY 38 1HA GLY 38 10.503 -3.724 -6.029 266 HA3 GLY 38 2HA GLY 38 11.049 -3.928 -4.371 267 HA PRO 39 HA PRO 39 8.189 -7.464 -5.994 268 HB2 PRO 39 1HB PRO 39 9.952 -9.058 -7.306 269 HB3 PRO 39 2HB PRO 39 9.000 -7.808 -8.116 270 HG2 PRO 39 1HG PRO 39 11.844 -7.718 -7.185 271 HG3 PRO 39 2HG PRO 39 11.145 -7.130 -8.705 272 HD2 PRO 39 1HD PRO 39 11.721 -5.485 -6.632 273 HD3 PRO 39 2HD PRO 39 10.366 -5.187 -7.740 274 H SER 40 H SER 40 8.126 -8.026 -3.812 275 HA SER 40 HA SER 40 10.419 -9.395 -2.646 276 HB2 SER 40 1HB SER 40 7.742 -8.644 -1.447 277 HB3 SER 40 2HB SER 40 9.082 -9.371 -0.561 278 HG SER 40 HG SER 40 8.800 -6.947 -0.586 279 H SER 41 H SER 41 6.962 -10.040 -3.210 280 HA SER 41 HA SER 41 7.618 -12.903 -3.383 281 HB2 SER 41 1HB SER 41 5.320 -11.627 -1.893 282 HB3 SER 41 2HB SER 41 5.353 -13.337 -2.322 283 HG SER 41 HG SER 41 6.703 -11.995 -0.351 284 H GLY 42 H GLY 42 5.244 -10.375 -4.144 285 HA2 GLY 42 1HA GLY 42 4.487 -10.024 -6.390 286 HA3 GLY 42 2HA GLY 42 4.768 -11.728 -6.712 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -18.558 -15.669 9.663 2 HA2 GLY 1 1HA GLY 1 -19.755 -13.675 11.375 3 HA3 GLY 1 2HA GLY 1 -18.244 -14.324 11.994 4 H SER 2 H SER 2 -19.448 -11.773 10.443 5 HA SER 2 HA SER 2 -18.212 -11.173 8.158 6 HB2 SER 2 1HB SER 2 -17.895 -8.838 8.993 7 HB3 SER 2 2HB SER 2 -19.492 -9.497 9.346 8 HG SER 2 HG SER 2 -17.319 -9.085 11.097 9 H SER 3 H SER 3 -16.203 -10.554 7.397 10 HA SER 3 HA SER 3 -13.925 -10.459 9.179 11 HB2 SER 3 1HB SER 3 -14.162 -12.631 7.082 12 HB3 SER 3 2HB SER 3 -12.696 -12.255 7.986 13 HG SER 3 HG SER 3 -13.452 -13.364 9.593 14 H GLY 4 H GLY 4 -12.460 -9.052 8.437 15 HA2 GLY 4 1HA GLY 4 -11.077 -8.179 6.672 16 HA3 GLY 4 2HA GLY 4 -12.389 -8.493 5.546 17 H SER 5 H SER 5 -14.388 -7.191 5.871 18 HA SER 5 HA SER 5 -13.636 -4.418 6.284 19 HB2 SER 5 1HB SER 5 -15.730 -3.865 5.219 20 HB3 SER 5 2HB SER 5 -14.967 -5.154 4.289 21 HG SER 5 HG SER 5 -17.329 -5.302 4.930 22 H SER 6 H SER 6 -13.627 -5.858 8.654 23 HA SER 6 HA SER 6 -16.119 -5.417 10.047 24 HB2 SER 6 1HB SER 6 -13.423 -6.488 10.854 25 HB3 SER 6 2HB SER 6 -14.660 -6.129 12.058 26 HG SER 6 HG SER 6 -15.648 -7.568 9.975 27 H GLY 7 H GLY 7 -16.359 -3.147 9.819 28 HA2 GLY 7 1HA GLY 7 -16.127 -1.422 11.691 29 HA3 GLY 7 2HA GLY 7 -14.410 -1.532 11.332 30 H GLN 8 H GLN 8 -13.891 0.369 10.445 31 HA GLN 8 HA GLN 8 -15.052 1.056 7.890 32 HB2 GLN 8 1HB GLN 8 -15.601 3.369 8.535 33 HB3 GLN 8 2HB GLN 8 -16.587 2.193 9.395 34 HG2 GLN 8 1HG GLN 8 -15.066 2.419 11.340 35 HG3 GLN 8 2HG GLN 8 -14.217 3.699 10.475 36 HE21 GLN 8 1HE2 GLN 8 -15.658 3.808 13.000 37 HE22 GLN 8 2HE2 GLN 8 -16.887 5.006 12.803 38 H LYS 9 H LYS 9 -13.602 2.022 6.578 39 HA LYS 9 HA LYS 9 -11.141 3.087 7.788 40 HB2 LYS 9 1HB LYS 9 -11.328 1.289 5.364 41 HB3 LYS 9 2HB LYS 9 -9.859 2.083 5.916 42 HG2 LYS 9 1HG LYS 9 -9.914 0.823 7.981 43 HG3 LYS 9 2HG LYS 9 -11.443 0.077 7.510 44 HD2 LYS 9 1HD LYS 9 -10.328 -0.944 5.571 45 HD3 LYS 9 2HD LYS 9 -8.801 -0.220 6.079 46 HE2 LYS 9 1HE LYS 9 -8.598 -2.317 6.984 47 HE3 LYS 9 2HE LYS 9 -9.330 -1.451 8.334 48 HZ1 LYS 9 3HZ LYS 9 -11.515 -2.266 7.520 49 HZ2 LYS 9 1HZ LYS 9 -10.482 -3.495 8.054 50 HZ3 LYS 9 2HZ LYS 9 -10.698 -3.233 6.397 51 HA PRO 10 HA PRO 10 -12.870 6.311 5.036 52 HB2 PRO 10 1HB PRO 10 -11.908 8.375 6.513 53 HB3 PRO 10 2HB PRO 10 -13.427 7.553 6.887 54 HG2 PRO 10 1HG PRO 10 -10.721 7.182 8.112 55 HG3 PRO 10 2HG PRO 10 -12.305 7.269 8.904 56 HD2 PRO 10 1HD PRO 10 -11.040 4.922 8.431 57 HD3 PRO 10 2HD PRO 10 -12.809 5.073 8.418 58 H TYR 11 H TYR 11 -9.651 5.889 6.394 59 HA TYR 11 HA TYR 11 -8.396 7.647 4.490 60 HB2 TYR 11 1HB TYR 11 -7.005 5.606 6.220 61 HB3 TYR 11 2HB TYR 11 -6.346 7.098 5.558 62 HD1 TYR 11 HD1 TYR 11 -8.735 5.743 8.046 63 HD2 TYR 11 HD2 TYR 11 -6.521 9.135 6.742 64 HE1 TYR 11 HE1 TYR 11 -9.318 6.916 10.127 65 HE2 TYR 11 HE2 TYR 11 -7.097 10.317 8.821 66 HH TYR 11 HH TYR 11 -7.763 9.622 11.210 67 H VAL 12 H VAL 12 -8.945 6.822 2.466 68 HA VAL 12 HA VAL 12 -7.963 4.131 1.817 69 HB VAL 12 HB VAL 12 -9.726 5.929 0.148 70 HG11 VAL 12 1HG1 VAL 12 -8.220 3.759 -0.625 71 HG12 VAL 12 2HG1 VAL 12 -9.813 3.059 -0.328 72 HG13 VAL 12 3HG1 VAL 12 -9.633 4.392 -1.469 73 HG21 VAL 12 3HG2 VAL 12 -11.599 4.660 0.884 74 HG22 VAL 12 1HG2 VAL 12 -10.567 3.519 1.745 75 HG23 VAL 12 2HG2 VAL 12 -10.728 5.175 2.328 76 H CYS 13 H CYS 13 -6.467 3.775 0.217 77 HA CYS 13 HA CYS 13 -4.677 5.937 -0.359 78 HB2 CYS 13 1HB CYS 13 -4.123 3.432 0.018 79 HB3 CYS 13 2HB CYS 13 -4.555 3.238 -1.678 80 H ASN 14 H ASN 14 -4.425 7.082 -2.200 81 HA ASN 14 HA ASN 14 -6.483 6.765 -4.245 82 HB2 ASN 14 1HB ASN 14 -4.578 8.981 -3.528 83 HB3 ASN 14 2HB ASN 14 -5.435 8.982 -5.067 84 HD21 ASN 14 1HD2 ASN 14 -7.669 9.239 -5.089 85 HD22 ASN 14 2HD2 ASN 14 -8.533 9.851 -3.723 86 H GLU 15 H GLU 15 -3.850 5.175 -3.851 87 HA GLU 15 HA GLU 15 -2.839 5.523 -6.597 88 HB2 GLU 15 1HB GLU 15 -1.495 4.686 -4.051 89 HB3 GLU 15 2HB GLU 15 -0.850 4.154 -5.597 90 HG2 GLU 15 1HG GLU 15 -1.219 6.995 -4.682 91 HG3 GLU 15 2HG GLU 15 0.306 6.131 -4.871 92 H CYS 16 H CYS 16 -3.657 3.118 -4.124 93 HA CYS 16 HA CYS 16 -4.031 1.148 -6.285 94 HB2 CYS 16 1HB CYS 16 -3.493 -0.608 -4.643 95 HB3 CYS 16 2HB CYS 16 -2.155 0.517 -4.854 96 H GLY 17 H GLY 17 -5.243 2.452 -3.251 97 HA2 GLY 17 1HA GLY 17 -7.641 2.746 -3.019 98 HA3 GLY 17 2HA GLY 17 -7.853 1.225 -3.874 99 H LYS 18 H LYS 18 -5.405 1.560 -1.427 100 HA LYS 18 HA LYS 18 -6.707 -0.499 0.148 101 HB2 LYS 18 1HB LYS 18 -4.136 -0.173 -0.443 102 HB3 LYS 18 2HB LYS 18 -4.169 0.796 1.024 103 HG2 LYS 18 1HG LYS 18 -4.682 -1.021 2.368 104 HG3 LYS 18 2HG LYS 18 -5.285 -1.978 1.012 105 HD2 LYS 18 1HD LYS 18 -2.970 -2.088 0.126 106 HD3 LYS 18 2HD LYS 18 -2.412 -1.243 1.571 107 HE2 LYS 18 1HE LYS 18 -2.043 -3.531 1.993 108 HE3 LYS 18 2HE LYS 18 -3.492 -3.109 2.906 109 HZ1 LYS 18 3HZ LYS 18 -4.136 -3.985 0.275 110 HZ2 LYS 18 1HZ LYS 18 -4.676 -4.578 1.765 111 HZ3 LYS 18 2HZ LYS 18 -3.233 -5.155 1.097 112 H ALA 19 H ALA 19 -7.768 -0.197 2.008 113 HA ALA 19 HA ALA 19 -8.021 2.539 3.009 114 HB1 ALA 19 3HB ALA 19 -9.668 0.525 4.315 115 HB2 ALA 19 1HB ALA 19 -10.133 2.030 3.519 116 HB3 ALA 19 2HB ALA 19 -9.886 0.567 2.565 117 H PHE 20 H PHE 20 -7.734 3.078 5.191 118 HA PHE 20 HA PHE 20 -6.520 1.077 6.939 119 HB2 PHE 20 1HB PHE 20 -5.211 3.756 6.445 120 HB3 PHE 20 2HB PHE 20 -4.607 2.451 7.460 121 HD1 PHE 20 HD1 PHE 20 -5.341 3.400 3.961 122 HD2 PHE 20 HD2 PHE 20 -3.279 0.740 6.566 123 HE1 PHE 20 HE1 PHE 20 -4.093 2.495 2.043 124 HE2 PHE 20 HE2 PHE 20 -2.027 -0.169 4.653 125 HZ PHE 20 HZ PHE 20 -2.432 0.709 2.388 126 H GLY 21 H GLY 21 -7.968 1.121 8.553 127 HA2 GLY 21 1HA GLY 21 -9.699 3.022 9.369 128 HA3 GLY 21 2HA GLY 21 -8.908 1.939 10.505 129 H LEU 22 H LEU 22 -6.261 3.182 9.727 130 HA LEU 22 HA LEU 22 -6.557 5.635 11.332 131 HB2 LEU 22 1HB LEU 22 -4.581 3.429 11.385 132 HB3 LEU 22 2HB LEU 22 -3.972 5.058 11.672 133 HG LEU 22 HG LEU 22 -6.135 3.695 13.276 134 HD11 LEU 22 1HD1 LEU 22 -3.452 3.161 13.345 135 HD12 LEU 22 2HD1 LEU 22 -4.581 2.917 14.678 136 HD13 LEU 22 3HD1 LEU 22 -3.627 4.398 14.590 137 HD21 LEU 22 3HD2 LEU 22 -4.870 6.407 13.388 138 HD22 LEU 22 1HD2 LEU 22 -5.524 5.653 14.842 139 HD23 LEU 22 2HD2 LEU 22 -6.577 5.967 13.462 140 H LYS 23 H LYS 23 -5.329 7.449 10.775 141 HA LYS 23 HA LYS 23 -4.946 7.873 8.014 142 HB2 LYS 23 1HB LYS 23 -5.444 9.612 9.803 143 HB3 LYS 23 2HB LYS 23 -3.738 9.538 10.220 144 HG2 LYS 23 1HG LYS 23 -3.073 10.479 8.203 145 HG3 LYS 23 2HG LYS 23 -4.604 10.097 7.411 146 HD2 LYS 23 1HD LYS 23 -4.315 12.513 7.959 147 HD3 LYS 23 2HD LYS 23 -5.751 11.779 8.677 148 HE2 LYS 23 1HE LYS 23 -4.561 11.530 10.799 149 HE3 LYS 23 2HE LYS 23 -3.121 12.248 10.080 150 HZ1 LYS 23 3HZ LYS 23 -5.070 14.072 9.573 151 HZ2 LYS 23 1HZ LYS 23 -3.930 14.169 10.820 152 HZ3 LYS 23 2HZ LYS 23 -5.464 13.524 11.125 153 H SER 24 H SER 24 -2.485 7.954 10.600 154 HA SER 24 HA SER 24 -0.218 8.056 9.099 155 HB2 SER 24 1HB SER 24 -0.852 6.796 11.729 156 HB3 SER 24 2HB SER 24 0.719 6.456 11.003 157 HG SER 24 HG SER 24 0.727 8.313 12.378 158 H GLN 25 H GLN 25 -2.069 5.142 9.900 159 HA GLN 25 HA GLN 25 -0.419 3.197 8.863 160 HB2 GLN 25 1HB GLN 25 -3.435 3.354 8.808 161 HB3 GLN 25 2HB GLN 25 -2.521 1.904 8.414 162 HG2 GLN 25 1HG GLN 25 -2.617 3.328 11.061 163 HG3 GLN 25 2HG GLN 25 -3.292 1.747 10.670 164 HE21 GLN 25 1HE2 GLN 25 -1.425 2.382 12.750 165 HE22 GLN 25 2HE2 GLN 25 0.011 1.476 12.435 166 H LEU 26 H LEU 26 -2.570 5.391 7.160 167 HA LEU 26 HA LEU 26 -2.154 4.106 4.609 168 HB2 LEU 26 1HB LEU 26 -4.265 5.101 4.874 169 HB3 LEU 26 2HB LEU 26 -3.572 6.597 5.498 170 HG LEU 26 HG LEU 26 -2.613 6.958 3.179 171 HD11 LEU 26 1HD1 LEU 26 -3.023 5.552 1.491 172 HD12 LEU 26 2HD1 LEU 26 -4.698 5.300 1.981 173 HD13 LEU 26 3HD1 LEU 26 -3.406 4.378 2.750 174 HD21 LEU 26 3HD2 LEU 26 -4.481 8.135 2.528 175 HD22 LEU 26 1HD2 LEU 26 -4.800 7.904 4.247 176 HD23 LEU 26 2HD2 LEU 26 -5.595 6.873 3.056 177 H ILE 27 H ILE 27 -1.062 7.050 6.238 178 HA ILE 27 HA ILE 27 0.318 8.251 4.152 179 HB ILE 27 HB ILE 27 1.329 8.253 6.988 180 HG12 ILE 27 1HG1 ILE 27 -1.045 9.690 5.803 181 HG13 ILE 27 2HG1 ILE 27 -1.007 8.655 7.226 182 HG21 ILE 27 1HG2 ILE 27 2.017 9.648 4.607 183 HG22 ILE 27 2HG2 ILE 27 1.338 10.801 5.755 184 HG23 ILE 27 3HG2 ILE 27 2.716 9.803 6.218 185 HD11 ILE 27 3HD1 ILE 27 0.655 10.480 8.109 186 HD12 ILE 27 1HD1 ILE 27 -0.162 11.484 6.911 187 HD13 ILE 27 2HD1 ILE 27 -1.090 10.714 8.198 188 H ILE 28 H ILE 28 1.395 5.745 6.407 189 HA ILE 28 HA ILE 28 4.069 5.648 5.436 190 HB ILE 28 HB ILE 28 2.530 3.522 6.931 191 HG12 ILE 28 1HG1 ILE 28 4.529 5.327 8.220 192 HG13 ILE 28 2HG1 ILE 28 2.918 5.961 7.898 193 HG21 ILE 28 1HG2 ILE 28 4.821 2.796 7.629 194 HG22 ILE 28 2HG2 ILE 28 4.461 2.554 5.921 195 HG23 ILE 28 3HG2 ILE 28 5.474 3.907 6.425 196 HD11 ILE 28 3HD1 ILE 28 1.910 4.317 9.278 197 HD12 ILE 28 1HD1 ILE 28 3.425 3.425 9.427 198 HD13 ILE 28 2HD1 ILE 28 3.257 5.011 10.181 199 H HIS 29 H HIS 29 1.084 4.048 4.561 200 HA HIS 29 HA HIS 29 2.280 2.029 2.940 201 HB2 HIS 29 1HB HIS 29 0.083 1.610 3.780 202 HB3 HIS 29 2HB HIS 29 -0.531 3.118 3.108 203 HD1 HIS 29 HD1 HIS 29 0.575 -0.328 2.060 204 HD2 HIS 29 HD2 HIS 29 -1.393 2.978 0.492 205 HE1 HIS 29 HE1 HIS 29 -0.354 -1.085 -0.151 206 H GLU 30 H GLU 30 0.570 5.058 2.163 207 HA GLU 30 HA GLU 30 0.764 5.016 -0.576 208 HB2 GLU 30 1HB GLU 30 1.069 7.426 1.223 209 HB3 GLU 30 2HB GLU 30 0.686 7.478 -0.492 210 HG2 GLU 30 1HG GLU 30 -1.430 6.474 -0.141 211 HG3 GLU 30 2HG GLU 30 -1.034 6.071 1.528 212 H ARG 31 H ARG 31 3.301 5.252 1.693 213 HA ARG 31 HA ARG 31 5.221 6.713 0.283 214 HB2 ARG 31 1HB ARG 31 5.548 4.416 2.217 215 HB3 ARG 31 2HB ARG 31 6.881 5.400 1.629 216 HG2 ARG 31 1HG ARG 31 5.864 7.383 2.625 217 HG3 ARG 31 2HG ARG 31 4.521 6.398 3.210 218 HD2 ARG 31 1HD ARG 31 5.991 6.650 5.040 219 HD3 ARG 31 2HD ARG 31 6.240 5.012 4.437 220 HE ARG 31 HE ARG 31 8.050 7.009 3.384 221 HH11 ARG 31 1HH1 ARG 31 7.471 4.594 5.823 222 HH12 ARG 31 2HH1 ARG 31 9.149 4.375 6.191 223 HH21 ARG 31 1HH2 ARG 31 10.264 6.730 3.860 224 HH22 ARG 31 2HH2 ARG 31 10.737 5.592 5.074 225 H ILE 32 H ILE 32 4.136 3.411 -0.061 226 HA ILE 32 HA ILE 32 6.258 2.358 -1.546 227 HB ILE 32 HB ILE 32 4.769 0.641 -2.278 228 HG12 ILE 32 1HG1 ILE 32 2.465 2.372 -1.360 229 HG13 ILE 32 2HG1 ILE 32 2.957 2.188 -3.040 230 HG21 ILE 32 1HG2 ILE 32 5.144 0.104 -0.108 231 HG22 ILE 32 2HG2 ILE 32 4.513 1.636 0.495 232 HG23 ILE 32 3HG2 ILE 32 3.402 0.361 -0.003 233 HD11 ILE 32 3HD1 ILE 32 2.652 -0.380 -2.428 234 HD12 ILE 32 1HD1 ILE 32 1.525 0.315 -1.263 235 HD13 ILE 32 2HD1 ILE 32 1.321 0.633 -2.986 236 H HIS 33 H HIS 33 3.736 4.561 -2.432 237 HA HIS 33 HA HIS 33 4.296 4.246 -5.282 238 HB2 HIS 33 1HB HIS 33 2.312 6.117 -3.981 239 HB3 HIS 33 2HB HIS 33 2.372 5.630 -5.673 240 HD1 HIS 33 HD1 HIS 33 2.031 2.880 -5.968 241 HD2 HIS 33 HD2 HIS 33 0.524 4.692 -2.547 242 HE1 HIS 33 HE1 HIS 33 0.318 1.279 -5.059 243 H THR 34 H THR 34 4.377 6.741 -2.760 244 HA THR 34 HA THR 34 5.139 8.971 -4.051 245 HB THR 34 HB THR 34 6.448 9.648 -2.127 246 HG1 THR 34 HG1 THR 34 6.358 6.892 -1.397 247 HG21 THR 34 3HG2 THR 34 4.789 9.495 -0.477 248 HG22 THR 34 1HG2 THR 34 4.271 7.899 -1.018 249 HG23 THR 34 2HG2 THR 34 3.904 9.322 -1.992 250 H GLY 35 H GLY 35 7.290 6.246 -3.312 251 HA2 GLY 35 1HA GLY 35 9.013 7.069 -5.519 252 HA3 GLY 35 2HA GLY 35 9.753 7.008 -3.927 253 H GLU 36 H GLU 36 10.389 5.081 -3.100 254 HA GLU 36 HA GLU 36 11.086 2.968 -4.615 255 HB2 GLU 36 1HB GLU 36 10.087 2.827 -1.765 256 HB3 GLU 36 2HB GLU 36 11.004 1.561 -2.570 257 HG2 GLU 36 1HG GLU 36 12.702 3.543 -2.972 258 HG3 GLU 36 2HG GLU 36 11.896 4.197 -1.547 259 H SER 37 H SER 37 9.831 2.035 -6.113 260 HA SER 37 HA SER 37 7.044 1.484 -5.645 261 HB2 SER 37 1HB SER 37 8.903 0.905 -7.953 262 HB3 SER 37 2HB SER 37 7.217 0.387 -7.935 263 HG SER 37 HG SER 37 7.729 3.056 -7.341 264 H GLY 38 H GLY 38 6.322 -0.831 -6.481 265 HA2 GLY 38 1HA GLY 38 6.949 -2.664 -4.491 266 HA3 GLY 38 2HA GLY 38 6.203 -3.078 -6.027 267 HA PRO 39 HA PRO 39 10.663 -4.715 -5.580 268 HB2 PRO 39 1HB PRO 39 10.097 -7.302 -4.984 269 HB3 PRO 39 2HB PRO 39 10.345 -6.063 -3.747 270 HG2 PRO 39 1HG PRO 39 7.784 -7.165 -4.838 271 HG3 PRO 39 2HG PRO 39 8.221 -6.805 -3.158 272 HD2 PRO 39 1HD PRO 39 6.694 -5.143 -4.653 273 HD3 PRO 39 2HD PRO 39 7.802 -4.551 -3.399 274 H SER 40 H SER 40 7.700 -6.111 -6.901 275 HA SER 40 HA SER 40 9.189 -6.782 -9.347 276 HB2 SER 40 1HB SER 40 7.009 -8.509 -8.155 277 HB3 SER 40 2HB SER 40 7.970 -8.859 -9.591 278 HG SER 40 HG SER 40 9.362 -9.735 -8.303 279 H SER 41 H SER 41 5.847 -6.710 -8.095 280 HA SER 41 HA SER 41 5.118 -4.909 -10.285 281 HB2 SER 41 1HB SER 41 4.016 -7.644 -9.794 282 HB3 SER 41 2HB SER 41 2.926 -6.388 -10.382 283 HG SER 41 HG SER 41 3.898 -7.533 -12.101 284 H GLY 42 H GLY 42 3.847 -3.289 -9.633 285 HA2 GLY 42 1HA GLY 42 1.969 -3.622 -7.459 286 HA3 GLY 42 2HA GLY 42 3.335 -2.586 -7.074 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -5.545 -10.549 -4.560 2 HA2 GLY 1 1HA GLY 1 -6.867 -8.663 -4.593 3 HA3 GLY 1 2HA GLY 1 -8.232 -9.681 -4.158 4 H SER 2 H SER 2 -8.704 -7.631 -2.920 5 HA SER 2 HA SER 2 -7.496 -7.844 -0.243 6 HB2 SER 2 1HB SER 2 -8.235 -5.319 -1.736 7 HB3 SER 2 2HB SER 2 -7.827 -5.366 -0.021 8 HG SER 2 HG SER 2 -6.132 -4.997 -1.846 9 H SER 3 H SER 3 -10.309 -6.808 -2.131 10 HA SER 3 HA SER 3 -12.164 -6.100 -0.354 11 HB2 SER 3 1HB SER 3 -12.660 -6.454 -2.737 12 HB3 SER 3 2HB SER 3 -12.623 -8.200 -2.488 13 HG SER 3 HG SER 3 -14.302 -7.489 -0.743 14 H GLY 4 H GLY 4 -13.160 -6.864 1.410 15 HA2 GLY 4 1HA GLY 4 -14.246 -8.940 2.353 16 HA3 GLY 4 2HA GLY 4 -12.676 -9.692 2.114 17 H SER 5 H SER 5 -11.091 -9.416 3.613 18 HA SER 5 HA SER 5 -11.553 -9.053 6.219 19 HB2 SER 5 1HB SER 5 -9.202 -8.430 6.528 20 HB3 SER 5 2HB SER 5 -9.352 -9.689 5.302 21 HG SER 5 HG SER 5 -9.354 -7.843 3.766 22 H SER 6 H SER 6 -10.729 -6.398 4.005 23 HA SER 6 HA SER 6 -10.665 -4.291 5.773 24 HB2 SER 6 1HB SER 6 -11.420 -4.536 2.892 25 HB3 SER 6 2HB SER 6 -11.728 -3.006 3.714 26 HG SER 6 HG SER 6 -9.641 -3.121 2.719 27 H GLY 7 H GLY 7 -12.137 -2.972 6.760 28 HA2 GLY 7 1HA GLY 7 -14.982 -3.708 6.448 29 HA3 GLY 7 2HA GLY 7 -14.262 -3.441 8.029 30 H GLN 8 H GLN 8 -13.909 -1.364 8.756 31 HA GLN 8 HA GLN 8 -15.057 0.762 7.070 32 HB2 GLN 8 1HB GLN 8 -15.644 1.907 9.193 33 HB3 GLN 8 2HB GLN 8 -16.454 0.358 8.996 34 HG2 GLN 8 1HG GLN 8 -14.523 -0.590 10.404 35 HG3 GLN 8 2HG GLN 8 -14.218 1.090 10.843 36 HE21 GLN 8 1HE2 GLN 8 -15.952 2.272 11.858 37 HE22 GLN 8 2HE2 GLN 8 -17.106 1.429 12.829 38 H LYS 9 H LYS 9 -13.446 1.909 6.218 39 HA LYS 9 HA LYS 9 -11.492 3.108 8.013 40 HB2 LYS 9 1HB LYS 9 -10.650 1.617 5.521 41 HB3 LYS 9 2HB LYS 9 -9.591 2.510 6.605 42 HG2 LYS 9 1HG LYS 9 -9.951 0.941 8.366 43 HG3 LYS 9 2HG LYS 9 -11.218 0.124 7.449 44 HD2 LYS 9 1HD LYS 9 -9.655 -0.711 5.868 45 HD3 LYS 9 2HD LYS 9 -8.371 0.330 6.488 46 HE2 LYS 9 1HE LYS 9 -7.857 -1.741 7.404 47 HE3 LYS 9 2HE LYS 9 -8.727 -0.935 8.708 48 HZ1 LYS 9 3HZ LYS 9 -10.729 -2.121 8.053 49 HZ2 LYS 9 1HZ LYS 9 -9.483 -3.207 8.418 50 HZ3 LYS 9 2HZ LYS 9 -9.891 -2.897 6.806 51 HA PRO 10 HA PRO 10 -12.834 6.429 5.328 52 HB2 PRO 10 1HB PRO 10 -11.595 8.396 6.731 53 HB3 PRO 10 2HB PRO 10 -13.124 7.669 7.241 54 HG2 PRO 10 1HG PRO 10 -10.344 7.095 8.191 55 HG3 PRO 10 2HG PRO 10 -11.835 7.271 9.135 56 HD2 PRO 10 1HD PRO 10 -10.784 4.855 8.509 57 HD3 PRO 10 2HD PRO 10 -12.532 5.124 8.671 58 H TYR 11 H TYR 11 -9.502 6.068 6.507 59 HA TYR 11 HA TYR 11 -8.366 7.655 4.420 60 HB2 TYR 11 1HB TYR 11 -6.930 5.629 6.139 61 HB3 TYR 11 2HB TYR 11 -6.238 7.024 5.319 62 HD1 TYR 11 HD1 TYR 11 -8.383 5.959 8.128 63 HD2 TYR 11 HD2 TYR 11 -6.296 9.191 6.311 64 HE1 TYR 11 HE1 TYR 11 -8.718 7.308 10.157 65 HE2 TYR 11 HE2 TYR 11 -6.624 10.549 8.336 66 HH TYR 11 HH TYR 11 -7.584 9.272 11.270 67 H VAL 12 H VAL 12 -8.894 6.883 2.420 68 HA VAL 12 HA VAL 12 -8.102 4.118 1.789 69 HB VAL 12 HB VAL 12 -9.994 5.937 0.292 70 HG11 VAL 12 1HG1 VAL 12 -10.323 4.249 -1.270 71 HG12 VAL 12 2HG1 VAL 12 -8.580 4.203 -1.000 72 HG13 VAL 12 3HG1 VAL 12 -9.624 3.011 -0.226 73 HG21 VAL 12 3HG2 VAL 12 -11.697 5.046 1.438 74 HG22 VAL 12 1HG2 VAL 12 -11.019 3.420 1.350 75 HG23 VAL 12 2HG2 VAL 12 -10.477 4.536 2.604 76 H CYS 13 H CYS 13 -6.508 3.742 0.371 77 HA CYS 13 HA CYS 13 -4.848 5.876 -0.501 78 HB2 CYS 13 1HB CYS 13 -4.254 3.390 0.030 79 HB3 CYS 13 2HB CYS 13 -4.687 3.111 -1.654 80 H ASN 14 H ASN 14 -4.739 6.922 -2.404 81 HA ASN 14 HA ASN 14 -6.849 6.400 -4.345 82 HB2 ASN 14 1HB ASN 14 -4.866 8.675 -4.117 83 HB3 ASN 14 2HB ASN 14 -6.134 8.567 -5.335 84 HD21 ASN 14 1HD2 ASN 14 -7.147 10.430 -4.655 85 HD22 ASN 14 2HD2 ASN 14 -8.026 10.524 -3.170 86 H GLU 15 H GLU 15 -3.814 5.292 -3.873 87 HA GLU 15 HA GLU 15 -2.980 5.372 -6.668 88 HB2 GLU 15 1HB GLU 15 -1.662 4.510 -4.111 89 HB3 GLU 15 2HB GLU 15 -1.006 4.013 -5.665 90 HG2 GLU 15 1HG GLU 15 -1.336 6.813 -4.626 91 HG3 GLU 15 2HG GLU 15 0.167 5.954 -4.961 92 H CYS 16 H CYS 16 -3.746 2.976 -4.158 93 HA CYS 16 HA CYS 16 -4.183 1.001 -6.302 94 HB2 CYS 16 1HB CYS 16 -3.664 -0.742 -4.622 95 HB3 CYS 16 2HB CYS 16 -2.307 0.345 -4.903 96 H GLY 17 H GLY 17 -5.343 2.294 -3.235 97 HA2 GLY 17 1HA GLY 17 -7.749 2.621 -3.006 98 HA3 GLY 17 2HA GLY 17 -7.971 1.086 -3.833 99 H LYS 18 H LYS 18 -5.471 1.379 -1.456 100 HA LYS 18 HA LYS 18 -6.775 -0.620 0.179 101 HB2 LYS 18 1HB LYS 18 -4.211 -0.316 -0.447 102 HB3 LYS 18 2HB LYS 18 -4.219 0.677 1.005 103 HG2 LYS 18 1HG LYS 18 -4.795 -1.130 2.376 104 HG3 LYS 18 2HG LYS 18 -5.303 -2.119 1.005 105 HD2 LYS 18 1HD LYS 18 -2.978 -2.233 0.234 106 HD3 LYS 18 2HD LYS 18 -2.476 -1.249 1.611 107 HE2 LYS 18 1HE LYS 18 -2.046 -3.332 2.444 108 HE3 LYS 18 2HE LYS 18 -3.719 -3.141 2.968 109 HZ1 LYS 18 3HZ LYS 18 -4.457 -4.430 1.105 110 HZ2 LYS 18 1HZ LYS 18 -3.264 -5.308 1.924 111 HZ3 LYS 18 2HZ LYS 18 -2.890 -4.521 0.474 112 H ALA 19 H ALA 19 -7.917 -0.242 1.961 113 HA ALA 19 HA ALA 19 -8.082 2.494 2.967 114 HB1 ALA 19 3HB ALA 19 -10.190 2.027 3.620 115 HB2 ALA 19 1HB ALA 19 -10.033 0.718 2.448 116 HB3 ALA 19 2HB ALA 19 -9.779 0.401 4.165 117 H PHE 20 H PHE 20 -7.668 3.079 5.081 118 HA PHE 20 HA PHE 20 -6.530 1.036 6.854 119 HB2 PHE 20 1HB PHE 20 -5.250 3.735 6.384 120 HB3 PHE 20 2HB PHE 20 -4.645 2.446 7.419 121 HD1 PHE 20 HD1 PHE 20 -5.395 3.298 3.890 122 HD2 PHE 20 HD2 PHE 20 -3.222 0.806 6.570 123 HE1 PHE 20 HE1 PHE 20 -4.104 2.397 1.999 124 HE2 PHE 20 HE2 PHE 20 -1.927 -0.099 4.684 125 HZ PHE 20 HZ PHE 20 -2.367 0.697 2.395 126 H GLY 21 H GLY 21 -7.921 1.037 8.507 127 HA2 GLY 21 1HA GLY 21 -9.694 2.932 9.319 128 HA3 GLY 21 2HA GLY 21 -8.930 1.808 10.434 129 H LEU 22 H LEU 22 -6.270 3.095 9.661 130 HA LEU 22 HA LEU 22 -6.551 5.444 11.417 131 HB2 LEU 22 1HB LEU 22 -4.529 3.285 11.241 132 HB3 LEU 22 2HB LEU 22 -3.943 4.905 11.615 133 HG LEU 22 HG LEU 22 -5.983 3.350 13.206 134 HD11 LEU 22 1HD1 LEU 22 -4.340 2.774 14.674 135 HD12 LEU 22 2HD1 LEU 22 -3.338 4.170 14.277 136 HD13 LEU 22 3HD1 LEU 22 -3.398 2.787 13.183 137 HD21 LEU 22 3HD2 LEU 22 -6.566 5.565 13.554 138 HD22 LEU 22 1HD2 LEU 22 -4.901 6.132 13.420 139 HD23 LEU 22 2HD2 LEU 22 -5.421 5.259 14.861 140 H LYS 23 H LYS 23 -5.132 7.246 11.016 141 HA LYS 23 HA LYS 23 -4.945 7.885 8.241 142 HB2 LYS 23 1HB LYS 23 -5.447 9.534 10.059 143 HB3 LYS 23 2HB LYS 23 -3.774 9.395 10.584 144 HG2 LYS 23 1HG LYS 23 -3.014 10.244 8.432 145 HG3 LYS 23 2HG LYS 23 -4.687 10.356 7.879 146 HD2 LYS 23 1HD LYS 23 -5.179 12.007 9.574 147 HD3 LYS 23 2HD LYS 23 -3.562 11.829 10.261 148 HE2 LYS 23 1HE LYS 23 -2.755 12.485 7.886 149 HE3 LYS 23 2HE LYS 23 -4.396 13.094 7.678 150 HZ1 LYS 23 3HZ LYS 23 -2.860 13.888 10.053 151 HZ2 LYS 23 1HZ LYS 23 -4.090 14.721 9.243 152 HZ3 LYS 23 2HZ LYS 23 -2.538 14.644 8.574 153 H SER 24 H SER 24 -2.409 7.863 10.754 154 HA SER 24 HA SER 24 -0.201 8.070 9.158 155 HB2 SER 24 1HB SER 24 0.227 8.123 11.458 156 HB3 SER 24 2HB SER 24 -0.655 6.625 11.755 157 HG SER 24 HG SER 24 1.837 6.883 10.418 158 H GLN 25 H GLN 25 -2.061 5.158 9.871 159 HA GLN 25 HA GLN 25 -0.417 3.208 8.830 160 HB2 GLN 25 1HB GLN 25 -3.420 3.462 8.805 161 HB3 GLN 25 2HB GLN 25 -2.594 2.025 8.217 162 HG2 GLN 25 1HG GLN 25 -2.538 3.142 11.008 163 HG3 GLN 25 2HG GLN 25 -3.296 1.645 10.467 164 HE21 GLN 25 1HE2 GLN 25 -0.913 2.594 12.276 165 HE22 GLN 25 2HE2 GLN 25 0.306 1.425 11.912 166 H LEU 26 H LEU 26 -2.660 5.332 7.102 167 HA LEU 26 HA LEU 26 -2.131 4.151 4.547 168 HB2 LEU 26 1HB LEU 26 -4.244 5.176 4.840 169 HB3 LEU 26 2HB LEU 26 -3.516 6.673 5.418 170 HG LEU 26 HG LEU 26 -2.548 6.912 3.068 171 HD11 LEU 26 1HD1 LEU 26 -4.671 5.494 1.792 172 HD12 LEU 26 2HD1 LEU 26 -3.741 4.376 2.789 173 HD13 LEU 26 3HD1 LEU 26 -2.929 5.340 1.556 174 HD21 LEU 26 3HD2 LEU 26 -5.531 7.006 3.014 175 HD22 LEU 26 1HD2 LEU 26 -4.356 8.181 2.422 176 HD23 LEU 26 2HD2 LEU 26 -4.648 8.022 4.155 177 H ILE 27 H ILE 27 -1.110 7.120 6.197 178 HA ILE 27 HA ILE 27 0.332 8.339 4.194 179 HB ILE 27 HB ILE 27 1.250 8.216 7.065 180 HG12 ILE 27 1HG1 ILE 27 -0.914 9.886 5.777 181 HG13 ILE 27 2HG1 ILE 27 -1.084 8.770 7.128 182 HG21 ILE 27 1HG2 ILE 27 2.770 9.706 6.443 183 HG22 ILE 27 2HG2 ILE 27 2.213 9.570 4.776 184 HG23 ILE 27 3HG2 ILE 27 1.501 10.775 5.848 185 HD11 ILE 27 3HD1 ILE 27 0.100 11.505 7.071 186 HD12 ILE 27 1HD1 ILE 27 -1.104 10.824 8.163 187 HD13 ILE 27 2HD1 ILE 27 0.589 10.351 8.312 188 H ILE 28 H ILE 28 1.400 5.775 6.395 189 HA ILE 28 HA ILE 28 4.065 5.676 5.411 190 HB ILE 28 HB ILE 28 2.515 3.522 6.853 191 HG12 ILE 28 1HG1 ILE 28 4.520 5.290 8.185 192 HG13 ILE 28 2HG1 ILE 28 2.910 5.933 7.883 193 HG21 ILE 28 1HG2 ILE 28 5.432 3.888 6.243 194 HG22 ILE 28 2HG2 ILE 28 4.873 2.865 7.564 195 HG23 ILE 28 3HG2 ILE 28 4.402 2.498 5.905 196 HD11 ILE 28 3HD1 ILE 28 3.279 3.305 9.260 197 HD12 ILE 28 1HD1 ILE 28 3.398 4.826 10.144 198 HD13 ILE 28 2HD1 ILE 28 1.903 4.406 9.308 199 H HIS 29 H HIS 29 1.074 4.061 4.544 200 HA HIS 29 HA HIS 29 2.232 2.079 2.875 201 HB2 HIS 29 1HB HIS 29 0.001 1.744 3.707 202 HB3 HIS 29 2HB HIS 29 -0.553 3.248 2.975 203 HD1 HIS 29 HD1 HIS 29 0.660 -0.195 1.966 204 HD2 HIS 29 HD2 HIS 29 -1.508 2.997 0.429 205 HE1 HIS 29 HE1 HIS 29 -0.264 -1.005 -0.228 206 H GLU 30 H GLU 30 0.607 5.160 2.120 207 HA GLU 30 HA GLU 30 0.823 5.169 -0.610 208 HB2 GLU 30 1HB GLU 30 1.250 7.541 1.216 209 HB3 GLU 30 2HB GLU 30 0.834 7.622 -0.490 210 HG2 GLU 30 1HG GLU 30 -1.311 6.664 -0.090 211 HG3 GLU 30 2HG GLU 30 -0.895 6.304 1.585 212 H ARG 31 H ARG 31 3.359 5.419 1.709 213 HA ARG 31 HA ARG 31 5.336 6.756 0.290 214 HB2 ARG 31 1HB ARG 31 5.653 4.419 2.182 215 HB3 ARG 31 2HB ARG 31 6.947 5.495 1.674 216 HG2 ARG 31 1HG ARG 31 5.732 7.383 2.705 217 HG3 ARG 31 2HG ARG 31 4.518 6.242 3.287 218 HD2 ARG 31 1HD ARG 31 6.021 6.626 5.083 219 HD3 ARG 31 2HD ARG 31 6.375 5.018 4.453 220 HE ARG 31 HE ARG 31 8.442 5.764 3.776 221 HH11 ARG 31 1HH1 ARG 31 6.456 8.473 4.688 222 HH12 ARG 31 2HH1 ARG 31 7.760 9.612 4.641 223 HH21 ARG 31 1HH2 ARG 31 10.168 7.254 3.710 224 HH22 ARG 31 2HH2 ARG 31 9.871 8.918 4.084 225 H ILE 32 H ILE 32 4.220 3.439 0.031 226 HA ILE 32 HA ILE 32 6.297 2.351 -1.477 227 HB ILE 32 HB ILE 32 4.818 0.617 -2.114 228 HG12 ILE 32 1HG1 ILE 32 2.488 2.401 -1.385 229 HG13 ILE 32 2HG1 ILE 32 3.054 2.140 -3.031 230 HG21 ILE 32 1HG2 ILE 32 3.297 0.987 0.281 231 HG22 ILE 32 2HG2 ILE 32 4.648 -0.103 -0.022 232 HG23 ILE 32 3HG2 ILE 32 4.951 1.541 0.538 233 HD11 ILE 32 3HD1 ILE 32 1.062 0.758 -1.990 234 HD12 ILE 32 1HD1 ILE 32 2.194 0.044 -3.139 235 HD13 ILE 32 2HD1 ILE 32 2.390 -0.247 -1.410 236 H HIS 33 H HIS 33 3.715 4.499 -2.391 237 HA HIS 33 HA HIS 33 4.259 4.153 -5.234 238 HB2 HIS 33 1HB HIS 33 2.312 6.050 -3.912 239 HB3 HIS 33 2HB HIS 33 2.356 5.589 -5.611 240 HD1 HIS 33 HD1 HIS 33 2.016 2.828 -5.923 241 HD2 HIS 33 HD2 HIS 33 0.492 4.640 -2.509 242 HE1 HIS 33 HE1 HIS 33 0.286 1.236 -5.033 243 H THR 34 H THR 34 4.355 6.734 -2.792 244 HA THR 34 HA THR 34 5.164 8.897 -4.174 245 HB THR 34 HB THR 34 6.377 9.682 -2.254 246 HG1 THR 34 HG1 THR 34 6.562 6.923 -1.636 247 HG21 THR 34 3HG2 THR 34 4.690 9.593 -0.669 248 HG22 THR 34 1HG2 THR 34 4.324 7.901 -1.001 249 HG23 THR 34 2HG2 THR 34 3.826 9.151 -2.141 250 H GLY 35 H GLY 35 7.246 6.169 -3.284 251 HA2 GLY 35 1HA GLY 35 9.660 7.253 -4.264 252 HA3 GLY 35 2HA GLY 35 9.331 5.545 -4.015 253 H GLU 36 H GLU 36 10.464 4.980 -5.899 254 HA GLU 36 HA GLU 36 10.150 6.042 -8.432 255 HB2 GLU 36 1HB GLU 36 10.724 3.641 -9.197 256 HB3 GLU 36 2HB GLU 36 11.894 4.513 -8.217 257 HG2 GLU 36 1HG GLU 36 11.279 3.295 -6.264 258 HG3 GLU 36 2HG GLU 36 9.910 2.556 -7.091 259 H SER 37 H SER 37 8.347 6.340 -9.548 260 HA SER 37 HA SER 37 6.651 4.222 -10.319 261 HB2 SER 37 1HB SER 37 4.622 4.737 -9.145 262 HB3 SER 37 2HB SER 37 5.891 4.548 -7.935 263 HG SER 37 HG SER 37 4.995 7.027 -8.991 264 H GLY 38 H GLY 38 4.557 5.172 -11.369 265 HA2 GLY 38 1HA GLY 38 5.386 7.000 -13.353 266 HA3 GLY 38 2HA GLY 38 3.736 6.460 -13.083 267 HA PRO 39 HA PRO 39 4.554 10.972 -11.697 268 HB2 PRO 39 1HB PRO 39 3.682 12.293 -13.903 269 HB3 PRO 39 2HB PRO 39 5.372 11.834 -13.663 270 HG2 PRO 39 1HG PRO 39 3.254 10.482 -15.290 271 HG3 PRO 39 2HG PRO 39 4.952 10.789 -15.698 272 HD2 PRO 39 1HD PRO 39 4.075 8.378 -14.833 273 HD3 PRO 39 2HD PRO 39 5.703 8.986 -14.473 274 H SER 40 H SER 40 1.986 9.967 -13.967 275 HA SER 40 HA SER 40 -0.258 10.534 -13.963 276 HB2 SER 40 1HB SER 40 0.373 8.989 -11.480 277 HB3 SER 40 2HB SER 40 -1.270 9.585 -11.713 278 HG SER 40 HG SER 40 0.149 7.654 -13.141 279 H SER 41 H SER 41 1.212 12.805 -13.295 280 HA SER 41 HA SER 41 -0.351 14.016 -11.115 281 HB2 SER 41 1HB SER 41 1.414 15.721 -10.996 282 HB3 SER 41 2HB SER 41 2.090 14.104 -10.804 283 HG SER 41 HG SER 41 2.245 15.845 -13.014 284 H GLY 42 H GLY 42 -1.769 15.592 -11.546 285 HA2 GLY 42 1HA GLY 42 -1.530 17.429 -13.689 286 HA3 GLY 42 2HA GLY 42 -2.650 16.148 -14.127 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -21.464 -3.106 -3.899 2 HA2 GLY 1 1HA GLY 1 -19.689 -0.794 -4.262 3 HA3 GLY 1 2HA GLY 1 -21.321 -0.521 -3.671 4 H SER 2 H SER 2 -21.644 -2.654 -1.952 5 HA SER 2 HA SER 2 -20.174 -1.728 0.319 6 HB2 SER 2 1HB SER 2 -21.426 -3.535 1.527 7 HB3 SER 2 2HB SER 2 -22.463 -2.426 0.630 8 HG SER 2 HG SER 2 -21.903 -4.310 -1.059 9 H SER 3 H SER 3 -18.003 -2.176 -0.334 10 HA SER 3 HA SER 3 -17.021 -4.706 -1.019 11 HB2 SER 3 1HB SER 3 -15.548 -2.505 0.448 12 HB3 SER 3 2HB SER 3 -14.816 -3.826 -0.462 13 HG SER 3 HG SER 3 -15.507 -1.482 -1.380 14 H GLY 4 H GLY 4 -15.843 -6.250 0.215 15 HA2 GLY 4 1HA GLY 4 -17.015 -6.717 2.812 16 HA3 GLY 4 2HA GLY 4 -15.909 -7.782 1.957 17 H SER 5 H SER 5 -15.985 -4.669 3.677 18 HA SER 5 HA SER 5 -13.167 -4.995 4.372 19 HB2 SER 5 1HB SER 5 -15.092 -2.693 4.761 20 HB3 SER 5 2HB SER 5 -13.420 -2.683 5.323 21 HG SER 5 HG SER 5 -14.140 -3.162 2.626 22 H SER 6 H SER 6 -12.416 -5.271 6.431 23 HA SER 6 HA SER 6 -13.977 -6.664 8.270 24 HB2 SER 6 1HB SER 6 -11.467 -6.664 8.158 25 HB3 SER 6 2HB SER 6 -11.485 -5.075 8.922 26 HG SER 6 HG SER 6 -12.211 -5.952 10.770 27 H GLY 7 H GLY 7 -12.781 -3.308 8.537 28 HA2 GLY 7 1HA GLY 7 -15.192 -2.685 10.113 29 HA3 GLY 7 2HA GLY 7 -13.606 -2.222 10.712 30 H GLN 8 H GLN 8 -14.447 -0.039 10.714 31 HA GLN 8 HA GLN 8 -15.034 1.196 8.166 32 HB2 GLN 8 1HB GLN 8 -15.085 2.037 11.017 33 HB3 GLN 8 2HB GLN 8 -14.867 3.298 9.811 34 HG2 GLN 8 1HG GLN 8 -16.964 3.052 8.964 35 HG3 GLN 8 2HG GLN 8 -17.057 1.344 9.392 36 HE21 GLN 8 1HE2 GLN 8 -19.202 1.948 10.147 37 HE22 GLN 8 2HE2 GLN 8 -19.379 2.596 11.739 38 H LYS 9 H LYS 9 -13.574 2.034 6.843 39 HA LYS 9 HA LYS 9 -11.049 3.042 7.951 40 HB2 LYS 9 1HB LYS 9 -11.291 1.269 5.513 41 HB3 LYS 9 2HB LYS 9 -9.809 2.028 6.081 42 HG2 LYS 9 1HG LYS 9 -9.902 0.727 8.129 43 HG3 LYS 9 2HG LYS 9 -11.422 -0.004 7.611 44 HD2 LYS 9 1HD LYS 9 -10.298 -1.011 5.696 45 HD3 LYS 9 2HD LYS 9 -8.779 -0.249 6.172 46 HE2 LYS 9 1HE LYS 9 -10.240 -2.024 8.086 47 HE3 LYS 9 2HE LYS 9 -9.239 -2.727 6.816 48 HZ1 LYS 9 3HZ LYS 9 -8.370 -0.883 8.970 49 HZ2 LYS 9 1HZ LYS 9 -7.393 -1.312 7.656 50 HZ3 LYS 9 2HZ LYS 9 -7.908 -2.495 8.750 51 HA PRO 10 HA PRO 10 -12.849 6.280 5.285 52 HB2 PRO 10 1HB PRO 10 -11.713 8.327 6.661 53 HB3 PRO 10 2HB PRO 10 -13.221 7.553 7.161 54 HG2 PRO 10 1HG PRO 10 -10.439 7.112 8.173 55 HG3 PRO 10 2HG PRO 10 -11.952 7.252 9.087 56 HD2 PRO 10 1HD PRO 10 -10.797 4.866 8.539 57 HD3 PRO 10 2HD PRO 10 -12.556 5.068 8.664 58 H TYR 11 H TYR 11 -9.527 6.072 6.527 59 HA TYR 11 HA TYR 11 -8.407 7.665 4.441 60 HB2 TYR 11 1HB TYR 11 -6.929 5.687 6.179 61 HB3 TYR 11 2HB TYR 11 -6.279 7.113 5.377 62 HD1 TYR 11 HD1 TYR 11 -8.441 5.957 8.140 63 HD2 TYR 11 HD2 TYR 11 -6.411 9.262 6.390 64 HE1 TYR 11 HE1 TYR 11 -8.854 7.280 10.173 65 HE2 TYR 11 HE2 TYR 11 -6.817 10.593 8.418 66 HH TYR 11 HH TYR 11 -8.673 10.493 10.343 67 H VAL 12 H VAL 12 -8.958 6.835 2.453 68 HA VAL 12 HA VAL 12 -8.065 4.099 1.846 69 HB VAL 12 HB VAL 12 -9.973 5.872 0.314 70 HG11 VAL 12 1HG1 VAL 12 -8.449 4.067 -0.866 71 HG12 VAL 12 2HG1 VAL 12 -9.672 2.965 -0.231 72 HG13 VAL 12 3HG1 VAL 12 -10.142 4.277 -1.313 73 HG21 VAL 12 3HG2 VAL 12 -10.559 4.653 2.608 74 HG22 VAL 12 1HG2 VAL 12 -11.718 4.784 1.285 75 HG23 VAL 12 2HG2 VAL 12 -10.806 3.292 1.514 76 H CYS 13 H CYS 13 -6.569 3.706 0.289 77 HA CYS 13 HA CYS 13 -4.889 5.880 -0.521 78 HB2 CYS 13 1HB CYS 13 -4.290 3.375 0.016 79 HB3 CYS 13 2HB CYS 13 -4.649 3.135 -1.691 80 H ASN 14 H ASN 14 -4.923 7.003 -2.361 81 HA ASN 14 HA ASN 14 -6.967 6.397 -4.329 82 HB2 ASN 14 1HB ASN 14 -5.096 8.731 -3.933 83 HB3 ASN 14 2HB ASN 14 -6.130 8.584 -5.351 84 HD21 ASN 14 1HD2 ASN 14 -8.246 9.079 -5.199 85 HD22 ASN 14 2HD2 ASN 14 -9.011 9.643 -3.755 86 H GLU 15 H GLU 15 -3.895 5.380 -3.857 87 HA GLU 15 HA GLU 15 -3.053 5.486 -6.644 88 HB2 GLU 15 1HB GLU 15 -1.747 4.639 -4.081 89 HB3 GLU 15 2HB GLU 15 -1.078 4.119 -5.622 90 HG2 GLU 15 1HG GLU 15 -0.036 6.167 -4.666 91 HG3 GLU 15 2HG GLU 15 -0.672 6.356 -6.299 92 H CYS 16 H CYS 16 -3.860 3.065 -4.177 93 HA CYS 16 HA CYS 16 -4.247 1.110 -6.349 94 HB2 CYS 16 1HB CYS 16 -3.725 -0.650 -4.665 95 HB3 CYS 16 2HB CYS 16 -2.369 0.424 -4.992 96 H GLY 17 H GLY 17 -5.382 2.249 -3.198 97 HA2 GLY 17 1HA GLY 17 -7.808 2.573 -2.986 98 HA3 GLY 17 2HA GLY 17 -8.005 1.041 -3.824 99 H LYS 18 H LYS 18 -5.554 1.493 -1.386 100 HA LYS 18 HA LYS 18 -6.788 -0.593 0.217 101 HB2 LYS 18 1HB LYS 18 -4.268 -0.358 -0.392 102 HB3 LYS 18 2HB LYS 18 -4.230 0.813 0.920 103 HG2 LYS 18 1HG LYS 18 -4.620 -0.778 2.535 104 HG3 LYS 18 2HG LYS 18 -5.392 -1.891 1.403 105 HD2 LYS 18 1HD LYS 18 -3.168 -2.224 0.324 106 HD3 LYS 18 2HD LYS 18 -2.452 -1.243 1.605 107 HE2 LYS 18 1HE LYS 18 -4.051 -3.755 2.080 108 HE3 LYS 18 2HE LYS 18 -2.292 -3.706 1.978 109 HZ1 LYS 18 3HZ LYS 18 -4.032 -2.460 4.022 110 HZ2 LYS 18 1HZ LYS 18 -2.410 -2.020 3.829 111 HZ3 LYS 18 2HZ LYS 18 -2.810 -3.608 4.249 112 H ALA 19 H ALA 19 -7.908 -0.260 2.026 113 HA ALA 19 HA ALA 19 -8.146 2.474 3.032 114 HB1 ALA 19 3HB ALA 19 -10.023 0.525 2.557 115 HB2 ALA 19 1HB ALA 19 -9.825 0.464 4.308 116 HB3 ALA 19 2HB ALA 19 -10.267 1.980 3.522 117 H PHE 20 H PHE 20 -7.666 3.077 5.108 118 HA PHE 20 HA PHE 20 -6.518 1.038 6.885 119 HB2 PHE 20 1HB PHE 20 -5.301 3.767 6.421 120 HB3 PHE 20 2HB PHE 20 -4.669 2.496 7.463 121 HD1 PHE 20 HD1 PHE 20 -5.423 3.321 3.928 122 HD2 PHE 20 HD2 PHE 20 -3.208 0.883 6.625 123 HE1 PHE 20 HE1 PHE 20 -4.105 2.442 2.046 124 HE2 PHE 20 HE2 PHE 20 -1.886 0.002 4.747 125 HZ PHE 20 HZ PHE 20 -2.332 0.782 2.454 126 H GLY 21 H GLY 21 -7.819 0.999 8.599 127 HA2 GLY 21 1HA GLY 21 -9.677 2.819 9.416 128 HA3 GLY 21 2HA GLY 21 -8.844 1.741 10.527 129 H LEU 22 H LEU 22 -6.264 3.156 9.671 130 HA LEU 22 HA LEU 22 -6.630 5.528 11.382 131 HB2 LEU 22 1HB LEU 22 -4.563 3.412 11.328 132 HB3 LEU 22 2HB LEU 22 -4.005 5.057 11.625 133 HG LEU 22 HG LEU 22 -6.056 3.578 13.273 134 HD11 LEU 22 1HD1 LEU 22 -4.431 2.968 14.716 135 HD12 LEU 22 2HD1 LEU 22 -3.456 4.402 14.399 136 HD13 LEU 22 3HD1 LEU 22 -3.427 3.050 13.268 137 HD21 LEU 22 3HD2 LEU 22 -4.928 6.349 13.379 138 HD22 LEU 22 1HD2 LEU 22 -5.483 5.544 14.848 139 HD23 LEU 22 2HD2 LEU 22 -6.605 5.818 13.515 140 H LYS 23 H LYS 23 -5.173 7.327 10.964 141 HA LYS 23 HA LYS 23 -5.004 7.912 8.175 142 HB2 LYS 23 1HB LYS 23 -5.488 9.585 9.996 143 HB3 LYS 23 2HB LYS 23 -3.794 9.478 10.457 144 HG2 LYS 23 1HG LYS 23 -3.114 10.323 8.299 145 HG3 LYS 23 2HG LYS 23 -4.790 10.334 7.747 146 HD2 LYS 23 1HD LYS 23 -5.316 11.953 9.558 147 HD3 LYS 23 2HD LYS 23 -3.598 12.005 9.959 148 HE2 LYS 23 1HE LYS 23 -3.043 12.994 7.896 149 HE3 LYS 23 2HE LYS 23 -4.614 12.607 7.196 150 HZ1 LYS 23 3HZ LYS 23 -4.814 14.241 9.542 151 HZ2 LYS 23 1HZ LYS 23 -5.495 14.465 8.009 152 HZ3 LYS 23 2HZ LYS 23 -3.914 14.982 8.316 153 H SER 24 H SER 24 -2.434 8.047 10.646 154 HA SER 24 HA SER 24 -0.248 8.182 9.036 155 HB2 SER 24 1HB SER 24 0.172 8.310 11.343 156 HB3 SER 24 2HB SER 24 -0.659 6.790 11.672 157 HG SER 24 HG SER 24 1.923 7.243 10.707 158 H GLN 25 H GLN 25 -2.080 5.281 9.858 159 HA GLN 25 HA GLN 25 -0.442 3.304 8.876 160 HB2 GLN 25 1HB GLN 25 -3.449 3.537 8.766 161 HB3 GLN 25 2HB GLN 25 -2.580 2.072 8.328 162 HG2 GLN 25 1HG GLN 25 -2.587 3.414 11.022 163 HG3 GLN 25 2HG GLN 25 -3.405 1.914 10.588 164 HE21 GLN 25 1HE2 GLN 25 -1.695 1.972 12.702 165 HE22 GLN 25 2HE2 GLN 25 -0.262 1.082 12.329 166 H LEU 26 H LEU 26 -2.695 5.354 7.068 167 HA LEU 26 HA LEU 26 -2.148 4.102 4.555 168 HB2 LEU 26 1HB LEU 26 -4.262 5.156 4.845 169 HB3 LEU 26 2HB LEU 26 -3.506 6.677 5.313 170 HG LEU 26 HG LEU 26 -2.602 6.822 2.965 171 HD11 LEU 26 1HD1 LEU 26 -4.458 4.480 2.619 172 HD12 LEU 26 2HD1 LEU 26 -2.741 4.575 2.227 173 HD13 LEU 26 3HD1 LEU 26 -3.913 5.492 1.281 174 HD21 LEU 26 3HD2 LEU 26 -4.383 8.073 2.387 175 HD22 LEU 26 1HD2 LEU 26 -4.932 7.693 4.019 176 HD23 LEU 26 2HD2 LEU 26 -5.528 6.756 2.649 177 H ILE 27 H ILE 27 -1.034 7.027 6.194 178 HA ILE 27 HA ILE 27 0.394 8.216 4.137 179 HB ILE 27 HB ILE 27 1.276 8.152 7.022 180 HG12 ILE 27 1HG1 ILE 27 -0.771 9.907 5.652 181 HG13 ILE 27 2HG1 ILE 27 -1.071 8.757 6.951 182 HG21 ILE 27 1HG2 ILE 27 2.237 9.488 4.675 183 HG22 ILE 27 2HG2 ILE 27 1.663 10.672 5.849 184 HG23 ILE 27 3HG2 ILE 27 2.894 9.496 6.311 185 HD11 ILE 27 3HD1 ILE 27 0.751 10.310 8.145 186 HD12 ILE 27 1HD1 ILE 27 0.029 11.487 7.047 187 HD13 ILE 27 2HD1 ILE 27 -0.984 10.622 8.204 188 H ILE 28 H ILE 28 1.446 5.719 6.427 189 HA ILE 28 HA ILE 28 4.108 5.561 5.469 190 HB ILE 28 HB ILE 28 2.508 3.447 6.916 191 HG12 ILE 28 1HG1 ILE 28 4.531 5.190 8.251 192 HG13 ILE 28 2HG1 ILE 28 2.940 5.865 7.918 193 HG21 ILE 28 1HG2 ILE 28 4.507 2.339 7.375 194 HG22 ILE 28 2HG2 ILE 28 4.667 2.807 5.683 195 HG23 ILE 28 3HG2 ILE 28 5.491 3.736 6.936 196 HD11 ILE 28 3HD1 ILE 28 1.874 4.266 9.284 197 HD12 ILE 28 1HD1 ILE 28 3.334 3.285 9.398 198 HD13 ILE 28 2HD1 ILE 28 3.263 4.857 10.195 199 H HIS 29 H HIS 29 1.109 4.011 4.542 200 HA HIS 29 HA HIS 29 2.289 1.995 2.910 201 HB2 HIS 29 1HB HIS 29 0.081 1.582 3.683 202 HB3 HIS 29 2HB HIS 29 -0.498 3.134 3.085 203 HD1 HIS 29 HD1 HIS 29 0.658 -0.233 1.806 204 HD2 HIS 29 HD2 HIS 29 -1.478 3.095 0.529 205 HE1 HIS 29 HE1 HIS 29 -0.311 -0.871 -0.425 206 H GLU 30 H GLU 30 0.620 5.046 2.121 207 HA GLU 30 HA GLU 30 0.864 5.040 -0.606 208 HB2 GLU 30 1HB GLU 30 1.227 7.432 1.207 209 HB3 GLU 30 2HB GLU 30 0.827 7.493 -0.504 210 HG2 GLU 30 1HG GLU 30 -1.317 6.632 -0.152 211 HG3 GLU 30 2HG GLU 30 -0.916 6.058 1.465 212 H ARG 31 H ARG 31 3.378 5.255 1.713 213 HA ARG 31 HA ARG 31 5.352 6.667 0.369 214 HB2 ARG 31 1HB ARG 31 5.620 4.263 2.182 215 HB3 ARG 31 2HB ARG 31 6.965 5.275 1.674 216 HG2 ARG 31 1HG ARG 31 5.939 7.198 2.773 217 HG3 ARG 31 2HG ARG 31 4.586 6.185 3.278 218 HD2 ARG 31 1HD ARG 31 6.042 6.332 5.138 219 HD3 ARG 31 2HD ARG 31 6.271 4.724 4.452 220 HE ARG 31 HE ARG 31 8.440 5.276 4.009 221 HH11 ARG 31 1HH1 ARG 31 6.619 8.202 4.505 222 HH12 ARG 31 2HH1 ARG 31 8.010 9.232 4.447 223 HH21 ARG 31 1HH2 ARG 31 10.280 6.623 3.930 224 HH22 ARG 31 2HH2 ARG 31 10.092 8.333 4.119 225 H ILE 32 H ILE 32 4.206 3.396 -0.109 226 HA ILE 32 HA ILE 32 6.305 2.370 -1.640 227 HB ILE 32 HB ILE 32 4.764 0.728 -2.473 228 HG12 ILE 32 1HG1 ILE 32 2.535 2.469 -1.398 229 HG13 ILE 32 2HG1 ILE 32 2.963 2.328 -3.100 230 HG21 ILE 32 1HG2 ILE 32 3.571 0.120 -0.284 231 HG22 ILE 32 2HG2 ILE 32 5.329 0.245 -0.263 232 HG23 ILE 32 3HG2 ILE 32 4.344 1.561 0.375 233 HD11 ILE 32 3HD1 ILE 32 1.282 0.653 -1.498 234 HD12 ILE 32 1HD1 ILE 32 1.536 0.648 -3.243 235 HD13 ILE 32 2HD1 ILE 32 2.600 -0.289 -2.193 236 H HIS 33 H HIS 33 3.633 4.466 -2.512 237 HA HIS 33 HA HIS 33 4.263 4.321 -5.342 238 HB2 HIS 33 1HB HIS 33 2.291 6.150 -3.964 239 HB3 HIS 33 2HB HIS 33 2.351 5.745 -5.677 240 HD1 HIS 33 HD1 HIS 33 2.034 2.989 -6.076 241 HD2 HIS 33 HD2 HIS 33 0.455 4.693 -2.632 242 HE1 HIS 33 HE1 HIS 33 0.300 1.363 -5.255 243 H THR 34 H THR 34 4.395 6.710 -2.725 244 HA THR 34 HA THR 34 5.186 8.971 -3.991 245 HB THR 34 HB THR 34 6.399 9.634 -2.011 246 HG1 THR 34 HG1 THR 34 7.588 7.678 -1.710 247 HG21 THR 34 3HG2 THR 34 3.816 9.113 -2.008 248 HG22 THR 34 1HG2 THR 34 4.648 9.572 -0.522 249 HG23 THR 34 2HG2 THR 34 4.291 7.875 -0.846 250 H GLY 35 H GLY 35 7.092 6.070 -3.528 251 HA2 GLY 35 1HA GLY 35 9.661 6.723 -3.861 252 HA3 GLY 35 2HA GLY 35 8.943 5.402 -4.771 253 H GLU 36 H GLU 36 8.283 5.754 -6.925 254 HA GLU 36 HA GLU 36 9.848 7.786 -8.268 255 HB2 GLU 36 1HB GLU 36 9.281 6.645 -10.306 256 HB3 GLU 36 2HB GLU 36 9.714 5.440 -9.102 257 HG2 GLU 36 1HG GLU 36 6.849 6.152 -9.398 258 HG3 GLU 36 2HG GLU 36 7.602 5.166 -10.651 259 H SER 37 H SER 37 7.663 8.726 -6.655 260 HA SER 37 HA SER 37 5.692 9.926 -6.751 261 HB2 SER 37 1HB SER 37 7.593 11.469 -7.400 262 HB3 SER 37 2HB SER 37 7.121 11.219 -9.081 263 HG SER 37 HG SER 37 6.182 13.044 -7.594 264 H GLY 38 H GLY 38 5.298 7.522 -8.081 265 HA2 GLY 38 1HA GLY 38 4.399 7.662 -10.713 266 HA3 GLY 38 2HA GLY 38 3.806 6.525 -9.511 267 HA PRO 39 HA PRO 39 0.803 10.215 -10.461 268 HB2 PRO 39 1HB PRO 39 -0.236 9.594 -12.891 269 HB3 PRO 39 2HB PRO 39 1.159 10.659 -12.687 270 HG2 PRO 39 1HG PRO 39 1.082 7.756 -13.413 271 HG3 PRO 39 2HG PRO 39 2.076 9.055 -14.098 272 HD2 PRO 39 1HD PRO 39 3.032 7.294 -12.277 273 HD3 PRO 39 2HD PRO 39 3.596 8.975 -12.367 274 H SER 40 H SER 40 -1.524 10.030 -10.458 275 HA SER 40 HA SER 40 -2.436 7.639 -9.230 276 HB2 SER 40 1HB SER 40 -4.604 8.726 -9.132 277 HB3 SER 40 2HB SER 40 -3.353 9.902 -8.733 278 HG SER 40 HG SER 40 -5.098 10.471 -10.339 279 H SER 41 H SER 41 -2.964 5.810 -10.203 280 HA SER 41 HA SER 41 -4.044 5.931 -12.943 281 HB2 SER 41 1HB SER 41 -3.019 3.756 -13.366 282 HB3 SER 41 2HB SER 41 -1.792 4.904 -12.830 283 HG SER 41 HG SER 41 -1.380 3.254 -11.536 284 H GLY 42 H GLY 42 -5.741 6.184 -10.766 285 HA2 GLY 42 1HA GLY 42 -7.958 5.069 -10.894 286 HA3 GLY 42 2HA GLY 42 -7.085 3.552 -10.734 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -17.058 -14.802 -1.582 2 HA2 GLY 1 1HA GLY 1 -16.225 -13.383 0.024 3 HA3 GLY 1 2HA GLY 1 -17.258 -14.292 1.118 4 H SER 2 H SER 2 -14.048 -14.275 -0.379 5 HA SER 2 HA SER 2 -13.037 -16.130 1.616 6 HB2 SER 2 1HB SER 2 -10.880 -15.866 0.365 7 HB3 SER 2 2HB SER 2 -12.218 -16.431 -0.635 8 HG SER 2 HG SER 2 -11.822 -14.775 -1.848 9 H SER 3 H SER 3 -12.525 -12.759 0.633 10 HA SER 3 HA SER 3 -10.996 -12.307 3.099 11 HB2 SER 3 1HB SER 3 -9.871 -11.592 1.056 12 HB3 SER 3 2HB SER 3 -11.261 -10.601 0.611 13 HG SER 3 HG SER 3 -10.771 -9.658 2.866 14 H GLY 4 H GLY 4 -12.070 -11.516 4.775 15 HA2 GLY 4 1HA GLY 4 -14.036 -9.394 4.340 16 HA3 GLY 4 2HA GLY 4 -14.591 -10.848 5.156 17 H SER 5 H SER 5 -13.757 -7.818 5.764 18 HA SER 5 HA SER 5 -12.632 -8.490 8.401 19 HB2 SER 5 1HB SER 5 -11.410 -6.298 8.306 20 HB3 SER 5 2HB SER 5 -10.841 -7.488 7.137 21 HG SER 5 HG SER 5 -11.713 -6.352 5.523 22 H SER 6 H SER 6 -13.025 -6.768 10.041 23 HA SER 6 HA SER 6 -15.654 -5.511 9.593 24 HB2 SER 6 1HB SER 6 -14.513 -6.963 11.946 25 HB3 SER 6 2HB SER 6 -15.676 -5.668 12.231 26 HG SER 6 HG SER 6 -16.128 -8.179 11.422 27 H GLY 7 H GLY 7 -16.046 -3.470 10.566 28 HA2 GLY 7 1HA GLY 7 -15.211 -1.634 11.954 29 HA3 GLY 7 2HA GLY 7 -13.599 -2.025 11.372 30 H GLN 8 H GLN 8 -13.921 0.448 11.045 31 HA GLN 8 HA GLN 8 -14.858 0.846 8.281 32 HB2 GLN 8 1HB GLN 8 -15.326 2.460 10.732 33 HB3 GLN 8 2HB GLN 8 -15.048 3.339 9.234 34 HG2 GLN 8 1HG GLN 8 -16.971 2.538 8.248 35 HG3 GLN 8 2HG GLN 8 -17.054 1.133 9.310 36 HE21 GLN 8 1HE2 GLN 8 -17.974 1.330 11.330 37 HE22 GLN 8 2HE2 GLN 8 -18.895 2.711 11.806 38 H LYS 9 H LYS 9 -13.508 1.875 6.897 39 HA LYS 9 HA LYS 9 -11.016 2.996 7.987 40 HB2 LYS 9 1HB LYS 9 -11.272 1.146 5.610 41 HB3 LYS 9 2HB LYS 9 -9.801 2.001 6.056 42 HG2 LYS 9 1HG LYS 9 -9.797 0.811 8.214 43 HG3 LYS 9 2HG LYS 9 -11.223 -0.089 7.693 44 HD2 LYS 9 1HD LYS 9 -9.920 -0.938 5.760 45 HD3 LYS 9 2HD LYS 9 -8.495 -0.119 6.403 46 HE2 LYS 9 1HE LYS 9 -8.417 -2.429 7.054 47 HE3 LYS 9 2HE LYS 9 -8.737 -1.449 8.485 48 HZ1 LYS 9 3HZ LYS 9 -11.168 -1.962 8.032 49 HZ2 LYS 9 1HZ LYS 9 -10.216 -3.227 8.629 50 HZ3 LYS 9 2HZ LYS 9 -10.615 -3.171 6.986 51 HA PRO 10 HA PRO 10 -12.869 6.190 5.314 52 HB2 PRO 10 1HB PRO 10 -11.701 8.257 6.632 53 HB3 PRO 10 2HB PRO 10 -13.194 7.487 7.182 54 HG2 PRO 10 1HG PRO 10 -10.385 7.064 8.127 55 HG3 PRO 10 2HG PRO 10 -11.874 7.214 9.077 56 HD2 PRO 10 1HD PRO 10 -10.729 4.822 8.532 57 HD3 PRO 10 2HD PRO 10 -12.485 5.024 8.700 58 H TYR 11 H TYR 11 -9.515 6.074 6.496 59 HA TYR 11 HA TYR 11 -8.454 7.618 4.355 60 HB2 TYR 11 1HB TYR 11 -6.972 5.673 6.133 61 HB3 TYR 11 2HB TYR 11 -6.283 7.010 5.219 62 HD1 TYR 11 HD1 TYR 11 -8.356 6.120 8.133 63 HD2 TYR 11 HD2 TYR 11 -6.358 9.250 6.057 64 HE1 TYR 11 HE1 TYR 11 -8.658 7.594 10.079 65 HE2 TYR 11 HE2 TYR 11 -6.653 10.733 7.997 66 HH TYR 11 HH TYR 11 -7.831 10.996 9.951 67 H VAL 12 H VAL 12 -8.838 6.858 2.345 68 HA VAL 12 HA VAL 12 -8.054 4.080 1.756 69 HB VAL 12 HB VAL 12 -9.929 5.882 0.218 70 HG11 VAL 12 1HG1 VAL 12 -10.409 3.605 -0.932 71 HG12 VAL 12 2HG1 VAL 12 -8.998 4.543 -1.425 72 HG13 VAL 12 3HG1 VAL 12 -8.807 3.166 -0.339 73 HG21 VAL 12 3HG2 VAL 12 -10.717 4.913 2.431 74 HG22 VAL 12 1HG2 VAL 12 -11.706 4.556 1.016 75 HG23 VAL 12 2HG2 VAL 12 -10.612 3.332 1.658 76 H CYS 13 H CYS 13 -6.475 3.683 0.314 77 HA CYS 13 HA CYS 13 -4.811 5.841 -0.545 78 HB2 CYS 13 1HB CYS 13 -4.199 3.363 0.071 79 HB3 CYS 13 2HB CYS 13 -4.539 3.063 -1.630 80 H ASN 14 H ASN 14 -5.007 7.012 -2.329 81 HA ASN 14 HA ASN 14 -6.944 6.297 -4.343 82 HB2 ASN 14 1HB ASN 14 -5.063 8.659 -4.136 83 HB3 ASN 14 2HB ASN 14 -6.316 8.476 -5.360 84 HD21 ASN 14 1HD2 ASN 14 -6.200 10.644 -3.645 85 HD22 ASN 14 2HD2 ASN 14 -7.563 10.594 -2.584 86 H GLU 15 H GLU 15 -3.846 5.368 -3.817 87 HA GLU 15 HA GLU 15 -2.975 5.438 -6.594 88 HB2 GLU 15 1HB GLU 15 -1.685 4.621 -4.009 89 HB3 GLU 15 2HB GLU 15 -0.981 4.145 -5.548 90 HG2 GLU 15 1HG GLU 15 -0.076 6.247 -4.467 91 HG3 GLU 15 2HG GLU 15 -0.542 6.357 -6.164 92 H CYS 16 H CYS 16 -3.735 3.027 -4.098 93 HA CYS 16 HA CYS 16 -4.064 1.037 -6.247 94 HB2 CYS 16 1HB CYS 16 -3.509 -0.690 -4.568 95 HB3 CYS 16 2HB CYS 16 -2.189 0.449 -4.811 96 H GLY 17 H GLY 17 -5.303 2.268 -3.181 97 HA2 GLY 17 1HA GLY 17 -7.727 2.527 -3.002 98 HA3 GLY 17 2HA GLY 17 -7.883 0.981 -3.822 99 H LYS 18 H LYS 18 -5.447 1.412 -1.390 100 HA LYS 18 HA LYS 18 -6.722 -0.621 0.241 101 HB2 LYS 18 1HB LYS 18 -4.195 -0.420 -0.362 102 HB3 LYS 18 2HB LYS 18 -4.150 0.756 0.944 103 HG2 LYS 18 1HG LYS 18 -4.608 -0.826 2.565 104 HG3 LYS 18 2HG LYS 18 -5.324 -1.951 1.408 105 HD2 LYS 18 1HD LYS 18 -3.020 -2.176 0.393 106 HD3 LYS 18 2HD LYS 18 -2.410 -1.292 1.794 107 HE2 LYS 18 1HE LYS 18 -4.087 -3.772 2.064 108 HE3 LYS 18 2HE LYS 18 -2.334 -3.839 1.894 109 HZ1 LYS 18 3HZ LYS 18 -2.733 -1.997 3.858 110 HZ2 LYS 18 1HZ LYS 18 -2.286 -3.611 4.092 111 HZ3 LYS 18 2HZ LYS 18 -3.914 -3.164 4.183 112 H ALA 19 H ALA 19 -7.886 -0.234 2.006 113 HA ALA 19 HA ALA 19 -8.062 2.509 2.998 114 HB1 ALA 19 3HB ALA 19 -10.126 1.258 2.418 115 HB2 ALA 19 1HB ALA 19 -9.768 0.134 3.730 116 HB3 ALA 19 2HB ALA 19 -10.094 1.831 4.086 117 H PHE 20 H PHE 20 -7.712 3.086 5.133 118 HA PHE 20 HA PHE 20 -6.595 1.042 6.916 119 HB2 PHE 20 1HB PHE 20 -5.319 3.745 6.457 120 HB3 PHE 20 2HB PHE 20 -4.737 2.479 7.534 121 HD1 PHE 20 HD1 PHE 20 -5.387 3.261 3.969 122 HD2 PHE 20 HD2 PHE 20 -3.281 0.831 6.758 123 HE1 PHE 20 HE1 PHE 20 -4.037 2.331 2.134 124 HE2 PHE 20 HE2 PHE 20 -1.927 -0.102 4.928 125 HZ PHE 20 HZ PHE 20 -2.303 0.649 2.613 126 H GLY 21 H GLY 21 -7.747 1.052 8.724 127 HA2 GLY 21 1HA GLY 21 -9.654 2.903 9.465 128 HA3 GLY 21 2HA GLY 21 -8.856 1.811 10.588 129 H LEU 22 H LEU 22 -6.263 3.246 9.652 130 HA LEU 22 HA LEU 22 -6.593 5.605 11.388 131 HB2 LEU 22 1HB LEU 22 -4.567 3.450 11.372 132 HB3 LEU 22 2HB LEU 22 -3.977 5.086 11.656 133 HG LEU 22 HG LEU 22 -6.069 3.664 13.304 134 HD11 LEU 22 1HD1 LEU 22 -3.784 4.333 14.806 135 HD12 LEU 22 2HD1 LEU 22 -3.216 3.533 13.341 136 HD13 LEU 22 3HD1 LEU 22 -4.382 2.727 14.390 137 HD21 LEU 22 3HD2 LEU 22 -6.588 5.907 13.533 138 HD22 LEU 22 1HD2 LEU 22 -4.908 6.420 13.369 139 HD23 LEU 22 2HD2 LEU 22 -5.453 5.647 14.858 140 H LYS 23 H LYS 23 -5.122 7.382 10.965 141 HA LYS 23 HA LYS 23 -4.915 7.949 8.180 142 HB2 LYS 23 1HB LYS 23 -5.393 9.744 9.712 143 HB3 LYS 23 2HB LYS 23 -3.921 9.425 10.621 144 HG2 LYS 23 1HG LYS 23 -2.614 10.043 8.596 145 HG3 LYS 23 2HG LYS 23 -4.130 10.513 7.822 146 HD2 LYS 23 1HD LYS 23 -3.537 11.650 10.501 147 HD3 LYS 23 2HD LYS 23 -2.603 12.254 9.130 148 HE2 LYS 23 1HE LYS 23 -4.383 13.698 9.097 149 HE3 LYS 23 2HE LYS 23 -4.968 12.441 8.009 150 HZ1 LYS 23 3HZ LYS 23 -5.874 11.489 10.287 151 HZ2 LYS 23 1HZ LYS 23 -6.754 12.605 9.368 152 HZ3 LYS 23 2HZ LYS 23 -5.856 13.129 10.702 153 H SER 24 H SER 24 -2.330 8.104 10.629 154 HA SER 24 HA SER 24 -0.151 8.150 9.018 155 HB2 SER 24 1HB SER 24 0.176 8.303 11.374 156 HB3 SER 24 2HB SER 24 -0.529 6.710 11.646 157 HG SER 24 HG SER 24 1.614 6.688 9.939 158 H GLN 25 H GLN 25 -2.030 5.295 9.898 159 HA GLN 25 HA GLN 25 -0.432 3.276 8.935 160 HB2 GLN 25 1HB GLN 25 -3.435 3.556 8.854 161 HB3 GLN 25 2HB GLN 25 -2.596 2.071 8.427 162 HG2 GLN 25 1HG GLN 25 -2.582 3.448 11.101 163 HG3 GLN 25 2HG GLN 25 -3.379 1.930 10.690 164 HE21 GLN 25 1HE2 GLN 25 -1.632 2.096 12.797 165 HE22 GLN 25 2HE2 GLN 25 -0.200 1.201 12.432 166 H LEU 26 H LEU 26 -2.639 5.361 7.118 167 HA LEU 26 HA LEU 26 -2.111 4.051 4.618 168 HB2 LEU 26 1HB LEU 26 -4.238 5.051 4.847 169 HB3 LEU 26 2HB LEU 26 -3.543 6.579 5.382 170 HG LEU 26 HG LEU 26 -2.555 6.752 3.031 171 HD11 LEU 26 1HD1 LEU 26 -3.234 5.372 1.357 172 HD12 LEU 26 2HD1 LEU 26 -4.772 4.997 2.135 173 HD13 LEU 26 3HD1 LEU 26 -3.288 4.227 2.697 174 HD21 LEU 26 3HD2 LEU 26 -4.653 7.895 4.058 175 HD22 LEU 26 1HD2 LEU 26 -5.543 6.814 2.986 176 HD23 LEU 26 2HD2 LEU 26 -4.386 7.964 2.316 177 H ILE 27 H ILE 27 -1.124 7.095 6.144 178 HA ILE 27 HA ILE 27 0.303 8.239 4.079 179 HB ILE 27 HB ILE 27 1.216 8.289 6.952 180 HG12 ILE 27 1HG1 ILE 27 -0.994 9.840 5.594 181 HG13 ILE 27 2HG1 ILE 27 -1.140 8.770 6.984 182 HG21 ILE 27 1HG2 ILE 27 2.346 9.407 4.739 183 HG22 ILE 27 2HG2 ILE 27 1.319 10.717 5.321 184 HG23 ILE 27 3HG2 ILE 27 2.535 10.011 6.385 185 HD11 ILE 27 3HD1 ILE 27 -0.106 10.303 8.411 186 HD12 ILE 27 1HD1 ILE 27 0.539 11.248 7.070 187 HD13 ILE 27 2HD1 ILE 27 -1.191 11.271 7.413 188 H ILE 28 H ILE 28 1.363 5.778 6.390 189 HA ILE 28 HA ILE 28 4.052 5.683 5.461 190 HB ILE 28 HB ILE 28 2.515 3.553 6.952 191 HG12 ILE 28 1HG1 ILE 28 4.430 5.426 8.271 192 HG13 ILE 28 2HG1 ILE 28 2.812 6.012 7.899 193 HG21 ILE 28 1HG2 ILE 28 4.617 2.819 5.847 194 HG22 ILE 28 2HG2 ILE 28 5.488 4.019 6.800 195 HG23 ILE 28 3HG2 ILE 28 4.657 2.689 7.605 196 HD11 ILE 28 3HD1 ILE 28 3.433 3.567 9.538 197 HD12 ILE 28 1HD1 ILE 28 3.009 5.152 10.184 198 HD13 ILE 28 2HD1 ILE 28 1.836 4.247 9.226 199 H HIS 29 H HIS 29 1.095 4.012 4.596 200 HA HIS 29 HA HIS 29 2.321 1.985 3.019 201 HB2 HIS 29 1HB HIS 29 0.126 1.533 3.787 202 HB3 HIS 29 2HB HIS 29 -0.488 3.065 3.175 203 HD1 HIS 29 HD1 HIS 29 0.621 -0.334 1.986 204 HD2 HIS 29 HD2 HIS 29 -1.369 3.024 0.564 205 HE1 HIS 29 HE1 HIS 29 -0.317 -1.005 -0.248 206 H GLU 30 H GLU 30 0.688 5.037 2.187 207 HA GLU 30 HA GLU 30 0.878 4.954 -0.552 208 HB2 GLU 30 1HB GLU 30 1.291 7.389 1.193 209 HB3 GLU 30 2HB GLU 30 0.854 7.405 -0.510 210 HG2 GLU 30 1HG GLU 30 -1.287 6.550 -0.084 211 HG3 GLU 30 2HG GLU 30 -0.852 6.053 1.550 212 H ARG 31 H ARG 31 3.423 5.155 1.718 213 HA ARG 31 HA ARG 31 5.401 6.540 0.360 214 HB2 ARG 31 1HB ARG 31 5.665 4.101 2.127 215 HB3 ARG 31 2HB ARG 31 7.011 5.115 1.622 216 HG2 ARG 31 1HG ARG 31 6.096 7.001 2.807 217 HG3 ARG 31 2HG ARG 31 4.648 6.081 3.217 218 HD2 ARG 31 1HD ARG 31 6.621 6.337 4.933 219 HD3 ARG 31 2HD ARG 31 5.727 4.824 4.797 220 HE ARG 31 HE ARG 31 7.634 3.818 4.040 221 HH11 ARG 31 1HH1 ARG 31 7.983 7.268 3.734 222 HH12 ARG 31 2HH1 ARG 31 9.650 7.190 3.268 223 HH21 ARG 31 1HH2 ARG 31 9.827 3.701 3.427 224 HH22 ARG 31 2HH2 ARG 31 10.698 5.160 3.092 225 H ILE 32 H ILE 32 4.171 3.312 -0.165 226 HA ILE 32 HA ILE 32 6.251 2.307 -1.768 227 HB ILE 32 HB ILE 32 4.703 0.637 -2.533 228 HG12 ILE 32 1HG1 ILE 32 2.516 2.372 -1.365 229 HG13 ILE 32 2HG1 ILE 32 2.831 2.148 -3.082 230 HG21 ILE 32 1HG2 ILE 32 4.896 1.386 0.269 231 HG22 ILE 32 2HG2 ILE 32 3.473 0.406 -0.078 232 HG23 ILE 32 3HG2 ILE 32 5.078 -0.192 -0.496 233 HD11 ILE 32 3HD1 ILE 32 2.452 -0.338 -2.632 234 HD12 ILE 32 1HD1 ILE 32 1.748 0.184 -1.103 235 HD13 ILE 32 2HD1 ILE 32 1.049 0.729 -2.628 236 H HIS 33 H HIS 33 3.807 4.638 -2.401 237 HA HIS 33 HA HIS 33 4.198 4.427 -5.298 238 HB2 HIS 33 1HB HIS 33 2.255 6.192 -3.799 239 HB3 HIS 33 2HB HIS 33 2.264 5.855 -5.528 240 HD1 HIS 33 HD1 HIS 33 1.994 3.095 -6.006 241 HD2 HIS 33 HD2 HIS 33 0.455 4.676 -2.486 242 HE1 HIS 33 HE1 HIS 33 0.302 1.419 -5.200 243 H THR 34 H THR 34 4.484 6.718 -2.619 244 HA THR 34 HA THR 34 5.153 9.044 -3.832 245 HB THR 34 HB THR 34 6.528 9.622 -1.930 246 HG1 THR 34 HG1 THR 34 6.724 6.823 -1.674 247 HG21 THR 34 3HG2 THR 34 4.056 9.391 -1.622 248 HG22 THR 34 1HG2 THR 34 4.989 9.192 -0.139 249 HG23 THR 34 2HG2 THR 34 4.341 7.778 -0.970 250 H GLY 35 H GLY 35 7.109 6.145 -3.678 251 HA2 GLY 35 1HA GLY 35 9.594 7.209 -4.405 252 HA3 GLY 35 2HA GLY 35 9.065 5.564 -4.728 253 H GLU 36 H GLU 36 8.322 5.013 -6.750 254 HA GLU 36 HA GLU 36 8.909 6.963 -8.846 255 HB2 GLU 36 1HB GLU 36 8.912 5.060 -10.370 256 HB3 GLU 36 2HB GLU 36 9.968 4.752 -8.999 257 HG2 GLU 36 1HG GLU 36 8.888 2.750 -9.165 258 HG3 GLU 36 2HG GLU 36 7.852 3.584 -8.008 259 H SER 37 H SER 37 7.395 7.869 -10.097 260 HA SER 37 HA SER 37 4.856 6.678 -10.617 261 HB2 SER 37 1HB SER 37 4.468 7.488 -8.307 262 HB3 SER 37 2HB SER 37 4.874 9.123 -8.829 263 HG SER 37 HG SER 37 2.558 8.482 -8.777 264 H GLY 38 H GLY 38 4.404 7.268 -12.626 265 HA2 GLY 38 1HA GLY 38 5.795 9.246 -14.039 266 HA3 GLY 38 2HA GLY 38 4.297 8.491 -14.565 267 HA PRO 39 HA PRO 39 3.787 13.057 -13.240 268 HB2 PRO 39 1HB PRO 39 3.826 14.229 -15.688 269 HB3 PRO 39 2HB PRO 39 5.276 14.024 -14.699 270 HG2 PRO 39 1HG PRO 39 4.302 12.370 -16.995 271 HG3 PRO 39 2HG PRO 39 5.947 12.923 -16.633 272 HD2 PRO 39 1HD PRO 39 5.100 10.411 -16.081 273 HD3 PRO 39 2HD PRO 39 6.302 11.254 -15.083 274 H SER 40 H SER 40 2.322 10.655 -14.987 275 HA SER 40 HA SER 40 -0.035 12.234 -15.701 276 HB2 SER 40 1HB SER 40 0.873 10.617 -17.356 277 HB3 SER 40 2HB SER 40 0.539 9.307 -16.225 278 HG SER 40 HG SER 40 -1.490 11.088 -17.043 279 H SER 41 H SER 41 0.412 12.050 -12.978 280 HA SER 41 HA SER 41 -2.051 10.862 -12.111 281 HB2 SER 41 1HB SER 41 -0.247 8.989 -12.130 282 HB3 SER 41 2HB SER 41 0.390 9.810 -10.705 283 HG SER 41 HG SER 41 -1.751 9.594 -9.801 284 H GLY 42 H GLY 42 -2.865 12.385 -10.842 285 HA2 GLY 42 1HA GLY 42 -1.602 13.288 -8.488 286 HA3 GLY 42 2HA GLY 42 -1.417 14.509 -9.739 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -15.865 -16.255 9.329 2 HA2 GLY 1 1HA GLY 1 -17.774 -15.483 10.624 3 HA3 GLY 1 2HA GLY 1 -17.410 -16.740 11.797 4 H SER 2 H SER 2 -17.452 -13.576 11.557 5 HA SER 2 HA SER 2 -15.313 -13.241 13.506 6 HB2 SER 2 1HB SER 2 -14.357 -12.736 11.223 7 HB3 SER 2 2HB SER 2 -15.501 -11.398 11.116 8 HG SER 2 HG SER 2 -13.163 -11.243 12.126 9 H SER 3 H SER 3 -15.568 -11.426 14.853 10 HA SER 3 HA SER 3 -18.252 -10.697 15.366 11 HB2 SER 3 1HB SER 3 -15.721 -9.400 16.407 12 HB3 SER 3 2HB SER 3 -17.332 -9.248 17.107 13 HG SER 3 HG SER 3 -16.118 -11.771 16.758 14 H GLY 4 H GLY 4 -15.491 -8.728 14.247 15 HA2 GLY 4 1HA GLY 4 -17.455 -6.827 13.124 16 HA3 GLY 4 2HA GLY 4 -15.874 -6.358 13.729 17 H SER 5 H SER 5 -17.127 -8.783 11.430 18 HA SER 5 HA SER 5 -14.861 -8.765 9.778 19 HB2 SER 5 1HB SER 5 -16.830 -10.449 9.877 20 HB3 SER 5 2HB SER 5 -17.616 -9.365 8.730 21 HG SER 5 HG SER 5 -15.337 -9.639 7.675 22 H SER 6 H SER 6 -17.909 -6.972 9.566 23 HA SER 6 HA SER 6 -17.760 -5.776 7.139 24 HB2 SER 6 1HB SER 6 -19.427 -5.413 9.124 25 HB3 SER 6 2HB SER 6 -18.382 -4.047 9.513 26 HG SER 6 HG SER 6 -20.317 -4.033 7.807 27 H GLY 7 H GLY 7 -16.315 -4.347 10.078 28 HA2 GLY 7 1HA GLY 7 -14.480 -2.993 10.350 29 HA3 GLY 7 2HA GLY 7 -13.867 -3.686 8.856 30 H GLN 8 H GLN 8 -13.730 -0.926 9.864 31 HA GLN 8 HA GLN 8 -14.859 0.375 7.494 32 HB2 GLN 8 1HB GLN 8 -15.479 2.344 8.902 33 HB3 GLN 8 2HB GLN 8 -16.440 0.906 9.217 34 HG2 GLN 8 1HG GLN 8 -14.063 1.693 10.877 35 HG3 GLN 8 2HG GLN 8 -15.711 2.203 11.237 36 HE21 GLN 8 1HE2 GLN 8 -13.538 0.229 12.338 37 HE22 GLN 8 2HE2 GLN 8 -14.486 -1.147 12.776 38 H LYS 9 H LYS 9 -13.475 1.708 6.498 39 HA LYS 9 HA LYS 9 -11.241 2.864 7.977 40 HB2 LYS 9 1HB LYS 9 -10.882 1.155 5.508 41 HB3 LYS 9 2HB LYS 9 -9.617 2.113 6.265 42 HG2 LYS 9 1HG LYS 9 -9.824 0.771 8.301 43 HG3 LYS 9 2HG LYS 9 -11.080 -0.198 7.526 44 HD2 LYS 9 1HD LYS 9 -9.195 -0.466 5.675 45 HD3 LYS 9 2HD LYS 9 -8.145 -0.153 7.059 46 HE2 LYS 9 1HE LYS 9 -9.202 -1.996 8.273 47 HE3 LYS 9 2HE LYS 9 -10.258 -2.302 6.895 48 HZ1 LYS 9 3HZ LYS 9 -8.085 -3.666 7.210 49 HZ2 LYS 9 1HZ LYS 9 -7.349 -2.321 6.497 50 HZ3 LYS 9 2HZ LYS 9 -8.552 -3.167 5.662 51 HA PRO 10 HA PRO 10 -12.872 6.087 5.275 52 HB2 PRO 10 1HB PRO 10 -11.697 8.123 6.634 53 HB3 PRO 10 2HB PRO 10 -13.198 7.354 7.164 54 HG2 PRO 10 1HG PRO 10 -10.396 6.895 8.113 55 HG3 PRO 10 2HG PRO 10 -11.889 7.038 9.060 56 HD2 PRO 10 1HD PRO 10 -10.757 4.648 8.477 57 HD3 PRO 10 2HD PRO 10 -12.512 4.859 8.641 58 H TYR 11 H TYR 11 -9.531 6.111 6.527 59 HA TYR 11 HA TYR 11 -8.453 7.627 4.406 60 HB2 TYR 11 1HB TYR 11 -6.965 5.633 6.120 61 HB3 TYR 11 2HB TYR 11 -6.294 7.025 5.277 62 HD1 TYR 11 HD1 TYR 11 -8.425 5.979 8.107 63 HD2 TYR 11 HD2 TYR 11 -6.356 9.198 6.247 64 HE1 TYR 11 HE1 TYR 11 -8.763 7.351 10.119 65 HE2 TYR 11 HE2 TYR 11 -6.688 10.579 8.255 66 HH TYR 11 HH TYR 11 -7.712 10.732 10.235 67 H VAL 12 H VAL 12 -8.994 6.849 2.406 68 HA VAL 12 HA VAL 12 -8.149 4.110 1.744 69 HB VAL 12 HB VAL 12 -10.036 5.949 0.264 70 HG11 VAL 12 1HG1 VAL 12 -10.258 3.272 -0.608 71 HG12 VAL 12 2HG1 VAL 12 -9.711 4.676 -1.526 72 HG13 VAL 12 3HG1 VAL 12 -8.545 3.691 -0.641 73 HG21 VAL 12 3HG2 VAL 12 -10.436 3.631 2.117 74 HG22 VAL 12 1HG2 VAL 12 -11.235 5.203 2.105 75 HG23 VAL 12 2HG2 VAL 12 -11.632 4.003 0.875 76 H CYS 13 H CYS 13 -6.576 3.742 0.288 77 HA CYS 13 HA CYS 13 -4.903 5.907 -0.524 78 HB2 CYS 13 1HB CYS 13 -4.281 3.432 0.017 79 HB3 CYS 13 2HB CYS 13 -4.693 3.141 -1.670 80 H ASN 14 H ASN 14 -4.820 6.984 -2.403 81 HA ASN 14 HA ASN 14 -6.879 6.425 -4.382 82 HB2 ASN 14 1HB ASN 14 -5.053 8.747 -3.839 83 HB3 ASN 14 2HB ASN 14 -5.875 8.608 -5.390 84 HD21 ASN 14 1HD2 ASN 14 -6.244 10.689 -3.525 85 HD22 ASN 14 2HD2 ASN 14 -7.883 10.630 -2.981 86 H GLU 15 H GLU 15 -3.870 5.311 -3.875 87 HA GLU 15 HA GLU 15 -2.993 5.420 -6.660 88 HB2 GLU 15 1HB GLU 15 -1.687 4.596 -4.086 89 HB3 GLU 15 2HB GLU 15 -1.010 4.089 -5.628 90 HG2 GLU 15 1HG GLU 15 0.155 6.031 -5.031 91 HG3 GLU 15 2HG GLU 15 -0.990 6.530 -6.276 92 H CYS 16 H CYS 16 -3.812 3.041 -4.158 93 HA CYS 16 HA CYS 16 -4.185 1.049 -6.299 94 HB2 CYS 16 1HB CYS 16 -3.638 -0.688 -4.627 95 HB3 CYS 16 2HB CYS 16 -2.300 0.425 -4.893 96 H GLY 17 H GLY 17 -5.375 2.353 -3.252 97 HA2 GLY 17 1HA GLY 17 -7.782 2.639 -3.023 98 HA3 GLY 17 2HA GLY 17 -7.981 1.097 -3.843 99 H LYS 18 H LYS 18 -5.485 1.424 -1.470 100 HA LYS 18 HA LYS 18 -6.759 -0.586 0.172 101 HB2 LYS 18 1HB LYS 18 -4.230 -0.346 -0.433 102 HB3 LYS 18 2HB LYS 18 -4.202 0.804 0.898 103 HG2 LYS 18 1HG LYS 18 -4.552 -0.805 2.482 104 HG3 LYS 18 2HG LYS 18 -5.401 -1.876 1.366 105 HD2 LYS 18 1HD LYS 18 -3.320 -2.452 0.277 106 HD3 LYS 18 2HD LYS 18 -2.441 -1.292 1.277 107 HE2 LYS 18 1HE LYS 18 -2.972 -2.573 3.269 108 HE3 LYS 18 2HE LYS 18 -3.935 -3.700 2.315 109 HZ1 LYS 18 3HZ LYS 18 -2.124 -4.831 1.759 110 HZ2 LYS 18 1HZ LYS 18 -1.268 -3.922 2.900 111 HZ3 LYS 18 2HZ LYS 18 -1.293 -3.437 1.280 112 H ALA 19 H ALA 19 -7.911 -0.226 1.952 113 HA ALA 19 HA ALA 19 -8.109 2.511 2.961 114 HB1 ALA 19 3HB ALA 19 -10.114 1.001 2.342 115 HB2 ALA 19 1HB ALA 19 -9.815 0.240 3.905 116 HB3 ALA 19 2HB ALA 19 -10.192 1.961 3.819 117 H PHE 20 H PHE 20 -7.635 3.101 5.038 118 HA PHE 20 HA PHE 20 -6.557 1.031 6.825 119 HB2 PHE 20 1HB PHE 20 -5.298 3.750 6.418 120 HB3 PHE 20 2HB PHE 20 -4.695 2.449 7.439 121 HD1 PHE 20 HD1 PHE 20 -5.454 3.298 3.904 122 HD2 PHE 20 HD2 PHE 20 -3.191 0.897 6.593 123 HE1 PHE 20 HE1 PHE 20 -4.127 2.442 2.018 124 HE2 PHE 20 HE2 PHE 20 -1.859 0.038 4.711 125 HZ PHE 20 HZ PHE 20 -2.326 0.811 2.420 126 H GLY 21 H GLY 21 -7.772 1.006 8.593 127 HA2 GLY 21 1HA GLY 21 -9.667 2.829 9.374 128 HA3 GLY 21 2HA GLY 21 -8.846 1.746 10.489 129 H LEU 22 H LEU 22 -6.255 3.155 9.647 130 HA LEU 22 HA LEU 22 -6.621 5.521 11.365 131 HB2 LEU 22 1HB LEU 22 -4.548 3.407 11.300 132 HB3 LEU 22 2HB LEU 22 -4.003 5.051 11.625 133 HG LEU 22 HG LEU 22 -6.048 3.523 13.236 134 HD11 LEU 22 1HD1 LEU 22 -3.283 3.275 13.237 135 HD12 LEU 22 2HD1 LEU 22 -4.394 2.752 14.502 136 HD13 LEU 22 3HD1 LEU 22 -3.635 4.341 14.597 137 HD21 LEU 22 3HD2 LEU 22 -5.466 5.507 14.831 138 HD22 LEU 22 1HD2 LEU 22 -6.665 5.716 13.555 139 HD23 LEU 22 2HD2 LEU 22 -5.025 6.325 13.331 140 H LYS 23 H LYS 23 -5.172 7.323 10.956 141 HA LYS 23 HA LYS 23 -4.977 7.903 8.164 142 HB2 LYS 23 1HB LYS 23 -5.504 9.575 9.977 143 HB3 LYS 23 2HB LYS 23 -3.813 9.492 10.454 144 HG2 LYS 23 1HG LYS 23 -3.118 10.354 8.318 145 HG3 LYS 23 2HG LYS 23 -4.778 10.308 7.720 146 HD2 LYS 23 1HD LYS 23 -5.392 11.916 9.533 147 HD3 LYS 23 2HD LYS 23 -3.675 12.050 9.922 148 HE2 LYS 23 1HE LYS 23 -3.873 13.820 8.500 149 HE3 LYS 23 2HE LYS 23 -3.502 12.555 7.330 150 HZ1 LYS 23 3HZ LYS 23 -5.355 13.225 6.319 151 HZ2 LYS 23 1HZ LYS 23 -5.908 14.087 7.665 152 HZ3 LYS 23 2HZ LYS 23 -6.198 12.425 7.548 153 H SER 24 H SER 24 -2.460 8.002 10.693 154 HA SER 24 HA SER 24 -0.243 8.180 9.111 155 HB2 SER 24 1HB SER 24 -0.753 6.954 11.782 156 HB3 SER 24 2HB SER 24 0.800 6.630 11.011 157 HG SER 24 HG SER 24 0.061 8.800 12.326 158 H GLN 25 H GLN 25 -2.067 5.265 9.905 159 HA GLN 25 HA GLN 25 -0.392 3.306 8.938 160 HB2 GLN 25 1HB GLN 25 -3.400 3.508 8.844 161 HB3 GLN 25 2HB GLN 25 -2.527 2.057 8.368 162 HG2 GLN 25 1HG GLN 25 -2.545 3.344 11.087 163 HG3 GLN 25 2HG GLN 25 -3.306 1.823 10.624 164 HE21 GLN 25 1HE2 GLN 25 -1.057 2.722 12.518 165 HE22 GLN 25 2HE2 GLN 25 0.200 1.577 12.209 166 H LEU 26 H LEU 26 -2.641 5.351 7.125 167 HA LEU 26 HA LEU 26 -2.074 4.096 4.612 168 HB2 LEU 26 1HB LEU 26 -4.207 5.108 4.884 169 HB3 LEU 26 2HB LEU 26 -3.486 6.641 5.372 170 HG LEU 26 HG LEU 26 -2.560 6.816 3.031 171 HD11 LEU 26 1HD1 LEU 26 -4.361 4.437 2.674 172 HD12 LEU 26 2HD1 LEU 26 -2.658 4.595 2.246 173 HD13 LEU 26 3HD1 LEU 26 -3.881 5.482 1.337 174 HD21 LEU 26 3HD2 LEU 26 -5.536 6.689 2.898 175 HD22 LEU 26 1HD2 LEU 26 -4.431 7.927 2.300 176 HD23 LEU 26 2HD2 LEU 26 -4.771 7.808 4.026 177 H ILE 27 H ILE 27 -0.972 6.989 6.297 178 HA ILE 27 HA ILE 27 0.421 8.242 4.248 179 HB ILE 27 HB ILE 27 1.366 8.130 7.110 180 HG12 ILE 27 1HG1 ILE 27 -0.813 9.810 5.857 181 HG13 ILE 27 2HG1 ILE 27 -0.988 8.652 7.171 182 HG21 ILE 27 1HG2 ILE 27 1.881 9.882 4.767 183 HG22 ILE 27 2HG2 ILE 27 1.849 10.621 6.367 184 HG23 ILE 27 3HG2 ILE 27 2.984 9.316 6.022 185 HD11 ILE 27 3HD1 ILE 27 0.699 10.203 8.396 186 HD12 ILE 27 1HD1 ILE 27 0.176 11.393 7.204 187 HD13 ILE 27 2HD1 ILE 27 -1.003 10.654 8.289 188 H ILE 28 H ILE 28 1.484 5.674 6.445 189 HA ILE 28 HA ILE 28 4.150 5.569 5.462 190 HB ILE 28 HB ILE 28 2.587 3.423 6.902 191 HG12 ILE 28 1HG1 ILE 28 4.620 5.165 8.226 192 HG13 ILE 28 2HG1 ILE 28 3.015 5.825 7.936 193 HG21 ILE 28 1HG2 ILE 28 5.568 3.729 6.884 194 HG22 ILE 28 2HG2 ILE 28 4.598 2.319 7.309 195 HG23 ILE 28 3HG2 ILE 28 4.734 2.819 5.624 196 HD11 ILE 28 3HD1 ILE 28 3.269 4.862 10.178 197 HD12 ILE 28 1HD1 ILE 28 2.014 4.060 9.234 198 HD13 ILE 28 2HD1 ILE 28 3.585 3.288 9.447 199 H HIS 29 H HIS 29 1.149 4.012 4.555 200 HA HIS 29 HA HIS 29 2.314 2.024 2.881 201 HB2 HIS 29 1HB HIS 29 0.103 1.633 3.699 202 HB3 HIS 29 2HB HIS 29 -0.476 3.166 3.054 203 HD1 HIS 29 HD1 HIS 29 0.677 -0.240 1.886 204 HD2 HIS 29 HD2 HIS 29 -1.426 3.058 0.486 205 HE1 HIS 29 HE1 HIS 29 -0.275 -0.942 -0.333 206 H GLU 30 H GLU 30 0.709 5.128 2.190 207 HA GLU 30 HA GLU 30 0.906 5.145 -0.556 208 HB2 GLU 30 1HB GLU 30 1.246 7.495 1.317 209 HB3 GLU 30 2HB GLU 30 0.895 7.610 -0.402 210 HG2 GLU 30 1HG GLU 30 -1.253 6.669 -0.124 211 HG3 GLU 30 2HG GLU 30 -0.897 6.169 1.528 212 H ARG 31 H ARG 31 3.433 5.260 1.733 213 HA ARG 31 HA ARG 31 5.394 6.714 0.371 214 HB2 ARG 31 1HB ARG 31 5.710 4.338 2.215 215 HB3 ARG 31 2HB ARG 31 7.017 5.402 1.715 216 HG2 ARG 31 1HG ARG 31 6.023 7.262 2.851 217 HG3 ARG 31 2HG ARG 31 4.577 6.318 3.217 218 HD2 ARG 31 1HD ARG 31 5.979 6.435 5.177 219 HD3 ARG 31 2HD ARG 31 5.960 4.782 4.565 220 HE ARG 31 HE ARG 31 8.201 4.960 4.079 221 HH11 ARG 31 1HH1 ARG 31 6.909 8.102 4.841 222 HH12 ARG 31 2HH1 ARG 31 8.463 8.865 4.921 223 HH21 ARG 31 1HH2 ARG 31 10.252 5.953 4.182 224 HH22 ARG 31 2HH2 ARG 31 10.363 7.642 4.545 225 H ILE 32 H ILE 32 4.196 3.478 -0.098 226 HA ILE 32 HA ILE 32 6.332 2.435 -1.610 227 HB ILE 32 HB ILE 32 4.864 0.701 -2.300 228 HG12 ILE 32 1HG1 ILE 32 2.523 2.386 -1.393 229 HG13 ILE 32 2HG1 ILE 32 3.041 2.252 -3.070 230 HG21 ILE 32 1HG2 ILE 32 4.871 1.631 0.432 231 HG22 ILE 32 2HG2 ILE 32 3.415 0.704 0.075 232 HG23 ILE 32 3HG2 ILE 32 5.003 -0.011 -0.198 233 HD11 ILE 32 3HD1 ILE 32 2.172 -0.068 -1.365 234 HD12 ILE 32 1HD1 ILE 32 1.134 0.796 -2.498 235 HD13 ILE 32 2HD1 ILE 32 2.538 -0.092 -3.090 236 H HIS 33 H HIS 33 3.603 4.460 -2.455 237 HA HIS 33 HA HIS 33 4.130 4.236 -5.300 238 HB2 HIS 33 1HB HIS 33 2.185 6.052 -3.863 239 HB3 HIS 33 2HB HIS 33 2.210 5.693 -5.587 240 HD1 HIS 33 HD1 HIS 33 2.070 2.844 -5.923 241 HD2 HIS 33 HD2 HIS 33 0.239 4.642 -2.655 242 HE1 HIS 33 HE1 HIS 33 0.334 1.202 -5.137 243 H THR 34 H THR 34 4.392 6.672 -2.743 244 HA THR 34 HA THR 34 5.118 8.902 -4.137 245 HB THR 34 HB THR 34 6.340 9.665 -2.205 246 HG1 THR 34 HG1 THR 34 6.447 6.901 -1.570 247 HG21 THR 34 3HG2 THR 34 4.384 8.019 -0.754 248 HG22 THR 34 1HG2 THR 34 3.734 8.884 -2.146 249 HG23 THR 34 2HG2 THR 34 4.539 9.773 -0.853 250 H GLY 35 H GLY 35 7.272 6.246 -3.155 251 HA2 GLY 35 1HA GLY 35 9.520 5.913 -3.671 252 HA3 GLY 35 2HA GLY 35 8.842 5.959 -5.291 253 H GLU 36 H GLU 36 9.892 7.261 -6.621 254 HA GLU 36 HA GLU 36 10.448 9.971 -6.026 255 HB2 GLU 36 1HB GLU 36 12.263 8.690 -4.735 256 HB3 GLU 36 2HB GLU 36 12.940 8.306 -6.312 257 HG2 GLU 36 1HG GLU 36 12.838 10.871 -6.691 258 HG3 GLU 36 2HG GLU 36 12.735 10.944 -4.933 259 H SER 37 H SER 37 10.469 11.053 -7.889 260 HA SER 37 HA SER 37 9.866 10.139 -10.321 261 HB2 SER 37 1HB SER 37 10.925 12.107 -11.311 262 HB3 SER 37 2HB SER 37 10.156 12.537 -9.784 263 HG SER 37 HG SER 37 12.814 12.557 -10.489 264 H GLY 38 H GLY 38 10.658 8.637 -11.627 265 HA2 GLY 38 1HA GLY 38 13.510 8.536 -12.177 266 HA3 GLY 38 2HA GLY 38 12.840 7.106 -11.407 267 HA PRO 39 HA PRO 39 12.227 7.207 -16.150 268 HB2 PRO 39 1HB PRO 39 14.305 5.628 -16.897 269 HB3 PRO 39 2HB PRO 39 14.424 7.388 -16.799 270 HG2 PRO 39 1HG PRO 39 15.314 5.318 -14.829 271 HG3 PRO 39 2HG PRO 39 16.152 6.785 -15.365 272 HD2 PRO 39 1HD PRO 39 14.811 6.649 -13.017 273 HD3 PRO 39 2HD PRO 39 14.930 8.147 -13.963 274 H SER 40 H SER 40 10.762 5.754 -16.763 275 HA SER 40 HA SER 40 10.792 3.102 -15.501 276 HB2 SER 40 1HB SER 40 8.533 4.507 -16.948 277 HB3 SER 40 2HB SER 40 8.422 2.966 -16.098 278 HG SER 40 HG SER 40 7.769 5.006 -14.960 279 H SER 41 H SER 41 9.962 1.291 -16.881 280 HA SER 41 HA SER 41 10.825 1.582 -19.681 281 HB2 SER 41 1HB SER 41 12.503 0.398 -18.134 282 HB3 SER 41 2HB SER 41 11.334 -0.922 -18.079 283 HG SER 41 HG SER 41 11.499 -0.512 -20.565 284 H GLY 42 H GLY 42 8.622 1.763 -20.277 285 HA2 GLY 42 1HA GLY 42 6.842 0.700 -21.348 286 HA3 GLY 42 2HA GLY 42 7.335 -0.817 -20.612 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -24.798 -18.421 9.808 2 HA2 GLY 1 1HA GLY 1 -21.941 -17.774 9.498 3 HA3 GLY 1 2HA GLY 1 -23.102 -17.200 8.310 4 H SER 2 H SER 2 -21.893 -16.846 11.555 5 HA SER 2 HA SER 2 -23.307 -14.273 11.736 6 HB2 SER 2 1HB SER 2 -23.057 -16.407 13.849 7 HB3 SER 2 2HB SER 2 -23.366 -14.723 14.269 8 HG SER 2 HG SER 2 -25.010 -16.576 12.990 9 H SER 3 H SER 3 -21.344 -13.341 10.950 10 HA SER 3 HA SER 3 -19.129 -13.369 12.891 11 HB2 SER 3 1HB SER 3 -19.207 -13.009 9.912 12 HB3 SER 3 2HB SER 3 -17.871 -12.336 10.846 13 HG SER 3 HG SER 3 -17.199 -14.342 10.363 14 H GLY 4 H GLY 4 -18.924 -11.621 14.112 15 HA2 GLY 4 1HA GLY 4 -20.415 -9.222 13.514 16 HA3 GLY 4 2HA GLY 4 -19.420 -9.508 14.934 17 H SER 5 H SER 5 -18.636 -9.556 11.465 18 HA SER 5 HA SER 5 -16.155 -8.262 11.827 19 HB2 SER 5 1HB SER 5 -17.842 -8.989 9.469 20 HB3 SER 5 2HB SER 5 -16.506 -7.862 9.233 21 HG SER 5 HG SER 5 -15.226 -9.512 9.279 22 H SER 6 H SER 6 -16.421 -6.346 12.950 23 HA SER 6 HA SER 6 -17.971 -4.239 11.601 24 HB2 SER 6 1HB SER 6 -18.313 -4.976 14.125 25 HB3 SER 6 2HB SER 6 -16.945 -3.895 14.387 26 HG SER 6 HG SER 6 -19.241 -3.036 14.415 27 H GLY 7 H GLY 7 -17.017 -1.975 12.040 28 HA2 GLY 7 1HA GLY 7 -14.866 -0.813 12.497 29 HA3 GLY 7 2HA GLY 7 -14.099 -2.107 11.589 30 H GLN 8 H GLN 8 -13.842 0.664 11.026 31 HA GLN 8 HA GLN 8 -14.805 0.646 8.275 32 HB2 GLN 8 1HB GLN 8 -15.581 2.989 8.438 33 HB3 GLN 8 2HB GLN 8 -16.532 1.892 9.431 34 HG2 GLN 8 1HG GLN 8 -15.357 2.618 11.416 35 HG3 GLN 8 2HG GLN 8 -14.316 3.658 10.445 36 HE21 GLN 8 1HE2 GLN 8 -15.469 4.941 12.366 37 HE22 GLN 8 2HE2 GLN 8 -16.827 5.872 11.842 38 H LYS 9 H LYS 9 -13.393 1.526 6.855 39 HA LYS 9 HA LYS 9 -11.012 2.849 7.982 40 HB2 LYS 9 1HB LYS 9 -11.181 1.030 5.573 41 HB3 LYS 9 2HB LYS 9 -9.732 1.872 6.105 42 HG2 LYS 9 1HG LYS 9 -9.998 0.635 8.304 43 HG3 LYS 9 2HG LYS 9 -11.191 -0.366 7.472 44 HD2 LYS 9 1HD LYS 9 -9.317 -0.663 5.695 45 HD3 LYS 9 2HD LYS 9 -8.244 -0.134 6.993 46 HE2 LYS 9 1HE LYS 9 -9.423 -1.945 8.401 47 HE3 LYS 9 2HE LYS 9 -9.975 -2.579 6.851 48 HZ1 LYS 9 3HZ LYS 9 -7.224 -2.060 6.683 49 HZ2 LYS 9 1HZ LYS 9 -8.021 -3.549 6.583 50 HZ3 LYS 9 2HZ LYS 9 -7.502 -2.966 8.084 51 HA PRO 10 HA PRO 10 -12.879 6.017 5.290 52 HB2 PRO 10 1HB PRO 10 -11.763 8.100 6.627 53 HB3 PRO 10 2HB PRO 10 -13.251 7.305 7.156 54 HG2 PRO 10 1HG PRO 10 -10.448 6.926 8.137 55 HG3 PRO 10 2HG PRO 10 -11.952 7.050 9.068 56 HD2 PRO 10 1HD PRO 10 -10.761 4.678 8.533 57 HD3 PRO 10 2HD PRO 10 -12.521 4.850 8.678 58 H TYR 11 H TYR 11 -9.545 6.061 6.550 59 HA TYR 11 HA TYR 11 -8.471 7.606 4.445 60 HB2 TYR 11 1HB TYR 11 -6.977 5.610 6.152 61 HB3 TYR 11 2HB TYR 11 -6.310 7.009 5.317 62 HD1 TYR 11 HD1 TYR 11 -8.483 5.957 8.119 63 HD2 TYR 11 HD2 TYR 11 -6.346 9.162 6.313 64 HE1 TYR 11 HE1 TYR 11 -8.833 7.319 10.136 65 HE2 TYR 11 HE2 TYR 11 -6.689 10.533 8.326 66 HH TYR 11 HH TYR 11 -8.899 10.035 10.534 67 H VAL 12 H VAL 12 -9.007 6.834 2.440 68 HA VAL 12 HA VAL 12 -8.142 4.105 1.763 69 HB VAL 12 HB VAL 12 -10.043 5.943 0.302 70 HG11 VAL 12 1HG1 VAL 12 -8.592 4.369 -1.096 71 HG12 VAL 12 2HG1 VAL 12 -9.518 3.061 -0.356 72 HG13 VAL 12 3HG1 VAL 12 -10.339 4.285 -1.326 73 HG21 VAL 12 3HG2 VAL 12 -10.815 4.859 2.458 74 HG22 VAL 12 1HG2 VAL 12 -11.790 4.527 1.026 75 HG23 VAL 12 2HG2 VAL 12 -10.660 3.312 1.625 76 H CYS 13 H CYS 13 -6.558 3.755 0.317 77 HA CYS 13 HA CYS 13 -4.887 5.924 -0.473 78 HB2 CYS 13 1HB CYS 13 -4.268 3.443 0.031 79 HB3 CYS 13 2HB CYS 13 -4.690 3.173 -1.657 80 H ASN 14 H ASN 14 -4.626 6.895 -2.431 81 HA ASN 14 HA ASN 14 -6.758 6.452 -4.378 82 HB2 ASN 14 1HB ASN 14 -5.884 8.761 -3.373 83 HB3 ASN 14 2HB ASN 14 -4.756 8.633 -4.719 84 HD21 ASN 14 1HD2 ASN 14 -7.898 9.432 -3.746 85 HD22 ASN 14 2HD2 ASN 14 -8.564 9.740 -5.310 86 H GLU 15 H GLU 15 -3.661 5.406 -3.867 87 HA GLU 15 HA GLU 15 -2.821 5.428 -6.648 88 HB2 GLU 15 1HB GLU 15 -1.565 4.564 -4.067 89 HB3 GLU 15 2HB GLU 15 -0.903 3.999 -5.595 90 HG2 GLU 15 1HG GLU 15 0.158 6.057 -4.591 91 HG3 GLU 15 2HG GLU 15 -0.336 6.168 -6.279 92 H CYS 16 H CYS 16 -3.743 3.057 -4.176 93 HA CYS 16 HA CYS 16 -4.167 1.099 -6.338 94 HB2 CYS 16 1HB CYS 16 -3.728 -0.665 -4.631 95 HB3 CYS 16 2HB CYS 16 -2.331 0.355 -4.958 96 H GLY 17 H GLY 17 -5.301 2.302 -3.211 97 HA2 GLY 17 1HA GLY 17 -7.712 2.709 -3.018 98 HA3 GLY 17 2HA GLY 17 -7.958 1.190 -3.867 99 H LYS 18 H LYS 18 -5.494 1.470 -1.433 100 HA LYS 18 HA LYS 18 -6.836 -0.552 0.154 101 HB2 LYS 18 1HB LYS 18 -4.261 -0.278 -0.441 102 HB3 LYS 18 2HB LYS 18 -4.272 0.697 1.022 103 HG2 LYS 18 1HG LYS 18 -5.003 -1.142 2.340 104 HG3 LYS 18 2HG LYS 18 -5.309 -2.123 0.905 105 HD2 LYS 18 1HD LYS 18 -2.870 -1.987 0.385 106 HD3 LYS 18 2HD LYS 18 -2.635 -1.182 1.938 107 HE2 LYS 18 1HE LYS 18 -3.277 -3.095 3.145 108 HE3 LYS 18 2HE LYS 18 -3.991 -3.854 1.723 109 HZ1 LYS 18 3HZ LYS 18 -1.091 -3.292 1.977 110 HZ2 LYS 18 1HZ LYS 18 -1.859 -4.253 0.815 111 HZ3 LYS 18 2HZ LYS 18 -1.792 -4.765 2.426 112 H ALA 19 H ALA 19 -7.958 -0.192 1.958 113 HA ALA 19 HA ALA 19 -8.103 2.541 2.982 114 HB1 ALA 19 3HB ALA 19 -10.232 2.110 3.554 115 HB2 ALA 19 1HB ALA 19 -10.065 0.749 2.444 116 HB3 ALA 19 2HB ALA 19 -9.849 0.505 4.178 117 H PHE 20 H PHE 20 -7.667 3.104 5.090 118 HA PHE 20 HA PHE 20 -6.575 1.019 6.847 119 HB2 PHE 20 1HB PHE 20 -5.282 3.721 6.435 120 HB3 PHE 20 2HB PHE 20 -4.691 2.413 7.454 121 HD1 PHE 20 HD1 PHE 20 -5.448 3.280 3.924 122 HD2 PHE 20 HD2 PHE 20 -3.223 0.829 6.600 123 HE1 PHE 20 HE1 PHE 20 -4.142 2.404 2.032 124 HE2 PHE 20 HE2 PHE 20 -1.914 -0.051 4.712 125 HZ PHE 20 HZ PHE 20 -2.372 0.737 2.424 126 H GLY 21 H GLY 21 -7.772 1.005 8.627 127 HA2 GLY 21 1HA GLY 21 -9.634 2.861 9.426 128 HA3 GLY 21 2HA GLY 21 -8.833 1.750 10.528 129 H LEU 22 H LEU 22 -6.226 3.145 9.639 130 HA LEU 22 HA LEU 22 -6.530 5.491 11.397 131 HB2 LEU 22 1HB LEU 22 -4.500 3.336 11.304 132 HB3 LEU 22 2HB LEU 22 -3.921 4.967 11.638 133 HG LEU 22 HG LEU 22 -5.960 3.435 13.252 134 HD11 LEU 22 1HD1 LEU 22 -3.529 2.732 13.385 135 HD12 LEU 22 2HD1 LEU 22 -4.300 3.193 14.903 136 HD13 LEU 22 3HD1 LEU 22 -3.212 4.318 14.089 137 HD21 LEU 22 3HD2 LEU 22 -5.386 5.445 14.838 138 HD22 LEU 22 1HD2 LEU 22 -6.626 5.602 13.594 139 HD23 LEU 22 2HD2 LEU 22 -5.012 6.260 13.318 140 H LYS 23 H LYS 23 -5.168 7.307 10.956 141 HA LYS 23 HA LYS 23 -4.932 7.877 8.177 142 HB2 LYS 23 1HB LYS 23 -5.454 9.557 9.973 143 HB3 LYS 23 2HB LYS 23 -3.774 9.450 10.483 144 HG2 LYS 23 1HG LYS 23 -3.038 10.274 8.325 145 HG3 LYS 23 2HG LYS 23 -4.708 10.319 7.754 146 HD2 LYS 23 1HD LYS 23 -5.250 11.972 9.479 147 HD3 LYS 23 2HD LYS 23 -3.580 11.925 10.049 148 HE2 LYS 23 1HE LYS 23 -4.079 12.511 7.175 149 HE3 LYS 23 2HE LYS 23 -4.422 13.774 8.356 150 HZ1 LYS 23 3HZ LYS 23 -2.259 14.121 8.723 151 HZ2 LYS 23 1HZ LYS 23 -2.010 13.310 7.258 152 HZ3 LYS 23 2HZ LYS 23 -1.874 12.473 8.721 153 H SER 24 H SER 24 -2.408 7.981 10.699 154 HA SER 24 HA SER 24 -0.193 8.144 9.123 155 HB2 SER 24 1HB SER 24 -0.710 6.901 11.784 156 HB3 SER 24 2HB SER 24 0.840 6.573 11.011 157 HG SER 24 HG SER 24 1.432 8.576 11.336 158 H GLN 25 H GLN 25 -2.047 5.241 9.876 159 HA GLN 25 HA GLN 25 -0.369 3.284 8.887 160 HB2 GLN 25 1HB GLN 25 -3.376 3.491 8.864 161 HB3 GLN 25 2HB GLN 25 -2.526 2.051 8.321 162 HG2 GLN 25 1HG GLN 25 -2.464 3.258 11.075 163 HG3 GLN 25 2HG GLN 25 -3.235 1.749 10.589 164 HE21 GLN 25 1HE2 GLN 25 -0.885 2.672 12.399 165 HE22 GLN 25 2HE2 GLN 25 0.345 1.512 12.042 166 H LEU 26 H LEU 26 -2.642 5.344 7.124 167 HA LEU 26 HA LEU 26 -2.111 4.108 4.593 168 HB2 LEU 26 1HB LEU 26 -4.242 5.118 4.912 169 HB3 LEU 26 2HB LEU 26 -3.512 6.650 5.386 170 HG LEU 26 HG LEU 26 -2.607 6.771 3.008 171 HD11 LEU 26 1HD1 LEU 26 -4.798 4.805 2.417 172 HD12 LEU 26 2HD1 LEU 26 -3.115 4.313 2.601 173 HD13 LEU 26 3HD1 LEU 26 -3.568 5.446 1.327 174 HD21 LEU 26 3HD2 LEU 26 -4.366 8.078 2.452 175 HD22 LEU 26 1HD2 LEU 26 -4.824 7.780 4.129 176 HD23 LEU 26 2HD2 LEU 26 -5.555 6.831 2.834 177 H ILE 27 H ILE 27 -1.042 7.043 6.245 178 HA ILE 27 HA ILE 27 0.342 8.279 4.188 179 HB ILE 27 HB ILE 27 1.337 8.210 7.031 180 HG12 ILE 27 1HG1 ILE 27 -0.988 9.718 5.836 181 HG13 ILE 27 2HG1 ILE 27 -0.992 8.661 7.243 182 HG21 ILE 27 1HG2 ILE 27 1.380 10.766 5.732 183 HG22 ILE 27 2HG2 ILE 27 2.718 9.822 6.383 184 HG23 ILE 27 3HG2 ILE 27 2.183 9.563 4.723 185 HD11 ILE 27 3HD1 ILE 27 -1.077 10.747 8.197 186 HD12 ILE 27 1HD1 ILE 27 0.653 10.406 8.229 187 HD13 ILE 27 2HD1 ILE 27 -0.015 11.463 6.985 188 H ILE 28 H ILE 28 1.430 5.732 6.394 189 HA ILE 28 HA ILE 28 4.095 5.648 5.395 190 HB ILE 28 HB ILE 28 2.581 3.494 6.875 191 HG12 ILE 28 1HG1 ILE 28 4.556 5.315 8.180 192 HG13 ILE 28 2HG1 ILE 28 2.933 5.923 7.875 193 HG21 ILE 28 1HG2 ILE 28 4.820 3.045 5.587 194 HG22 ILE 28 2HG2 ILE 28 5.536 3.847 6.984 195 HG23 ILE 28 3HG2 ILE 28 4.566 2.391 7.205 196 HD11 ILE 28 3HD1 ILE 28 3.311 4.947 10.144 197 HD12 ILE 28 1HD1 ILE 28 1.963 4.252 9.245 198 HD13 ILE 28 2HD1 ILE 28 3.489 3.375 9.364 199 H HIS 29 H HIS 29 1.106 4.009 4.572 200 HA HIS 29 HA HIS 29 2.265 2.010 2.921 201 HB2 HIS 29 1HB HIS 29 0.071 1.590 3.719 202 HB3 HIS 29 2HB HIS 29 -0.521 3.143 3.137 203 HD1 HIS 29 HD1 HIS 29 0.484 -0.268 1.898 204 HD2 HIS 29 HD2 HIS 29 -1.413 3.165 0.525 205 HE1 HIS 29 HE1 HIS 29 -0.491 -0.886 -0.337 206 H GLU 30 H GLU 30 0.653 5.096 2.168 207 HA GLU 30 HA GLU 30 0.846 5.051 -0.580 208 HB2 GLU 30 1HB GLU 30 1.182 7.451 1.228 209 HB3 GLU 30 2HB GLU 30 0.803 7.512 -0.487 210 HG2 GLU 30 1HG GLU 30 -1.334 6.576 -0.150 211 HG3 GLU 30 2HG GLU 30 -0.946 6.102 1.503 212 H ARG 31 H ARG 31 3.367 5.320 1.730 213 HA ARG 31 HA ARG 31 5.314 6.721 0.307 214 HB2 ARG 31 1HB ARG 31 5.656 4.433 2.253 215 HB3 ARG 31 2HB ARG 31 6.950 5.493 1.711 216 HG2 ARG 31 1HG ARG 31 5.736 7.412 2.684 217 HG3 ARG 31 2HG ARG 31 4.523 6.289 3.304 218 HD2 ARG 31 1HD ARG 31 6.125 6.840 5.040 219 HD3 ARG 31 2HD ARG 31 6.267 5.140 4.593 220 HE ARG 31 HE ARG 31 8.141 6.253 3.051 221 HH11 ARG 31 1HH1 ARG 31 7.414 6.654 6.432 222 HH12 ARG 31 2HH1 ARG 31 9.053 6.995 6.878 223 HH21 ARG 31 1HH2 ARG 31 10.302 6.701 3.625 224 HH22 ARG 31 2HH2 ARG 31 10.695 7.023 5.280 225 H ILE 32 H ILE 32 4.095 3.505 -0.100 226 HA ILE 32 HA ILE 32 6.257 2.370 -1.507 227 HB ILE 32 HB ILE 32 4.786 0.642 -2.178 228 HG12 ILE 32 1HG1 ILE 32 2.453 2.439 -1.485 229 HG13 ILE 32 2HG1 ILE 32 3.040 2.164 -3.121 230 HG21 ILE 32 1HG2 ILE 32 4.876 0.069 -0.022 231 HG22 ILE 32 2HG2 ILE 32 4.586 1.721 0.517 232 HG23 ILE 32 3HG2 ILE 32 3.227 0.684 0.086 233 HD11 ILE 32 3HD1 ILE 32 2.668 -0.378 -2.266 234 HD12 ILE 32 1HD1 ILE 32 1.389 0.472 -1.400 235 HD13 ILE 32 2HD1 ILE 32 1.478 0.568 -3.159 236 H HIS 33 H HIS 33 3.734 4.560 -2.453 237 HA HIS 33 HA HIS 33 4.333 4.214 -5.289 238 HB2 HIS 33 1HB HIS 33 2.345 6.111 -4.033 239 HB3 HIS 33 2HB HIS 33 2.420 5.603 -5.718 240 HD1 HIS 33 HD1 HIS 33 2.080 2.844 -5.974 241 HD2 HIS 33 HD2 HIS 33 0.524 4.719 -2.609 242 HE1 HIS 33 HE1 HIS 33 0.347 1.265 -5.066 243 H THR 34 H THR 34 4.403 6.741 -2.798 244 HA THR 34 HA THR 34 5.185 8.952 -4.105 245 HB THR 34 HB THR 34 6.471 9.651 -2.183 246 HG1 THR 34 HG1 THR 34 6.490 6.876 -1.543 247 HG21 THR 34 3HG2 THR 34 4.344 7.880 -1.025 248 HG22 THR 34 1HG2 THR 34 3.921 9.251 -2.049 249 HG23 THR 34 2HG2 THR 34 4.810 9.512 -0.548 250 H GLY 35 H GLY 35 7.233 6.145 -3.478 251 HA2 GLY 35 1HA GLY 35 9.583 7.377 -4.602 252 HA3 GLY 35 2HA GLY 35 9.416 5.697 -4.112 253 H GLU 36 H GLU 36 7.328 4.838 -5.660 254 HA GLU 36 HA GLU 36 8.605 4.370 -8.139 255 HB2 GLU 36 1HB GLU 36 5.894 3.743 -7.024 256 HB3 GLU 36 2HB GLU 36 6.230 3.455 -8.725 257 HG2 GLU 36 1HG GLU 36 8.194 2.074 -8.002 258 HG3 GLU 36 2HG GLU 36 7.594 2.220 -6.351 259 H SER 37 H SER 37 8.404 5.311 -10.091 260 HA SER 37 HA SER 37 6.414 7.463 -10.382 261 HB2 SER 37 1HB SER 37 8.058 8.791 -11.612 262 HB3 SER 37 2HB SER 37 8.667 8.411 -10.001 263 HG SER 37 HG SER 37 9.291 6.831 -12.262 264 H GLY 38 H GLY 38 6.027 4.812 -11.226 265 HA2 GLY 38 1HA GLY 38 6.745 4.298 -13.888 266 HA3 GLY 38 2HA GLY 38 5.350 3.617 -13.064 267 HA PRO 39 HA PRO 39 3.526 6.042 -16.454 268 HB2 PRO 39 1HB PRO 39 1.291 4.511 -16.620 269 HB3 PRO 39 2HB PRO 39 2.814 4.075 -17.404 270 HG2 PRO 39 1HG PRO 39 1.664 3.091 -14.821 271 HG3 PRO 39 2HG PRO 39 2.466 2.175 -16.110 272 HD2 PRO 39 1HD PRO 39 3.735 2.899 -13.831 273 HD3 PRO 39 2HD PRO 39 4.574 2.765 -15.390 274 H SER 40 H SER 40 1.273 6.994 -16.636 275 HA SER 40 HA SER 40 -0.147 7.334 -14.130 276 HB2 SER 40 1HB SER 40 0.061 9.759 -14.082 277 HB3 SER 40 2HB SER 40 1.667 9.032 -14.032 278 HG SER 40 HG SER 40 1.329 9.325 -16.519 279 H SER 41 H SER 41 -2.028 8.932 -14.480 280 HA SER 41 HA SER 41 -3.230 8.289 -17.081 281 HB2 SER 41 1HB SER 41 -4.534 7.456 -15.240 282 HB3 SER 41 2HB SER 41 -4.473 9.017 -14.421 283 HG SER 41 HG SER 41 -6.250 9.426 -15.450 284 H GLY 42 H GLY 42 -2.380 9.965 -18.318 285 HA2 GLY 42 1HA GLY 42 -2.435 12.045 -19.291 286 HA3 GLY 42 2HA GLY 42 -3.840 12.389 -18.292 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -8.587 -13.101 2.299 2 HA2 GLY 1 1HA GLY 1 -7.993 -11.579 0.506 3 HA3 GLY 1 2HA GLY 1 -9.002 -10.364 1.278 4 H SER 2 H SER 2 -8.231 -10.210 3.792 5 HA SER 2 HA SER 2 -5.324 -10.119 3.938 6 HB2 SER 2 1HB SER 2 -7.043 -7.648 4.266 7 HB3 SER 2 2HB SER 2 -5.320 -7.741 4.630 8 HG SER 2 HG SER 2 -4.889 -8.051 2.480 9 H SER 3 H SER 3 -4.706 -10.823 5.865 10 HA SER 3 HA SER 3 -6.467 -11.550 7.898 11 HB2 SER 3 1HB SER 3 -3.957 -12.209 7.433 12 HB3 SER 3 2HB SER 3 -3.621 -10.893 8.558 13 HG SER 3 HG SER 3 -3.951 -12.396 9.998 14 H GLY 4 H GLY 4 -6.206 -10.751 10.237 15 HA2 GLY 4 1HA GLY 4 -5.862 -8.895 11.716 16 HA3 GLY 4 2HA GLY 4 -5.960 -7.820 10.329 17 H SER 5 H SER 5 -7.558 -6.507 11.147 18 HA SER 5 HA SER 5 -10.191 -7.785 11.496 19 HB2 SER 5 1HB SER 5 -10.774 -6.095 13.121 20 HB3 SER 5 2HB SER 5 -9.242 -6.822 13.604 21 HG SER 5 HG SER 5 -9.751 -4.273 12.543 22 H SER 6 H SER 6 -12.033 -6.538 10.821 23 HA SER 6 HA SER 6 -11.372 -4.620 8.684 24 HB2 SER 6 1HB SER 6 -13.273 -5.389 7.455 25 HB3 SER 6 2HB SER 6 -12.408 -6.829 7.994 26 HG SER 6 HG SER 6 -14.187 -6.096 9.860 27 H GLY 7 H GLY 7 -13.391 -3.206 8.151 28 HA2 GLY 7 1HA GLY 7 -15.386 -2.523 9.866 29 HA3 GLY 7 2HA GLY 7 -13.977 -1.729 10.555 30 H GLN 8 H GLN 8 -14.955 0.308 10.175 31 HA GLN 8 HA GLN 8 -15.327 1.081 7.380 32 HB2 GLN 8 1HB GLN 8 -16.140 3.255 8.480 33 HB3 GLN 8 2HB GLN 8 -17.139 1.819 8.668 34 HG2 GLN 8 1HG GLN 8 -16.273 1.470 10.899 35 HG3 GLN 8 2HG GLN 8 -15.186 2.845 10.715 36 HE21 GLN 8 1HE2 GLN 8 -16.144 4.954 10.467 37 HE22 GLN 8 2HE2 GLN 8 -17.676 5.287 11.192 38 H LYS 9 H LYS 9 -13.210 1.230 6.654 39 HA LYS 9 HA LYS 9 -11.372 3.010 8.052 40 HB2 LYS 9 1HB LYS 9 -11.000 1.294 5.590 41 HB3 LYS 9 2HB LYS 9 -9.736 2.264 6.336 42 HG2 LYS 9 1HG LYS 9 -9.890 0.941 8.367 43 HG3 LYS 9 2HG LYS 9 -11.202 -0.008 7.664 44 HD2 LYS 9 1HD LYS 9 -9.478 -0.462 5.761 45 HD3 LYS 9 2HD LYS 9 -8.291 0.010 6.979 46 HE2 LYS 9 1HE LYS 9 -9.676 -1.696 8.456 47 HE3 LYS 9 2HE LYS 9 -10.079 -2.365 6.875 48 HZ1 LYS 9 3HZ LYS 9 -8.067 -3.252 6.694 49 HZ2 LYS 9 1HZ LYS 9 -7.814 -2.871 8.323 50 HZ3 LYS 9 2HZ LYS 9 -7.292 -1.809 7.114 51 HA PRO 10 HA PRO 10 -12.917 6.276 5.363 52 HB2 PRO 10 1HB PRO 10 -11.675 8.278 6.711 53 HB3 PRO 10 2HB PRO 10 -13.188 7.547 7.257 54 HG2 PRO 10 1HG PRO 10 -10.389 7.014 8.174 55 HG3 PRO 10 2HG PRO 10 -11.867 7.195 9.138 56 HD2 PRO 10 1HD PRO 10 -10.804 4.777 8.539 57 HD3 PRO 10 2HD PRO 10 -12.551 5.034 8.723 58 H TYR 11 H TYR 11 -9.561 6.089 6.540 59 HA TYR 11 HA TYR 11 -8.466 7.618 4.416 60 HB2 TYR 11 1HB TYR 11 -7.014 5.588 6.118 61 HB3 TYR 11 2HB TYR 11 -6.316 6.959 5.264 62 HD1 TYR 11 HD1 TYR 11 -8.407 5.963 8.135 63 HD2 TYR 11 HD2 TYR 11 -6.339 9.149 6.217 64 HE1 TYR 11 HE1 TYR 11 -8.683 7.347 10.149 65 HE2 TYR 11 HE2 TYR 11 -6.609 10.541 8.226 66 HH TYR 11 HH TYR 11 -8.636 9.572 10.875 67 H VAL 12 H VAL 12 -8.836 6.928 2.386 68 HA VAL 12 HA VAL 12 -8.131 4.140 1.736 69 HB VAL 12 HB VAL 12 -10.007 5.987 0.252 70 HG11 VAL 12 1HG1 VAL 12 -9.709 3.062 -0.286 71 HG12 VAL 12 2HG1 VAL 12 -10.323 4.339 -1.337 72 HG13 VAL 12 3HG1 VAL 12 -8.593 4.213 -1.019 73 HG21 VAL 12 3HG2 VAL 12 -10.512 3.599 2.019 74 HG22 VAL 12 1HG2 VAL 12 -11.048 5.260 2.274 75 HG23 VAL 12 2HG2 VAL 12 -11.725 4.307 0.953 76 H CYS 13 H CYS 13 -6.474 3.796 0.402 77 HA CYS 13 HA CYS 13 -4.836 5.932 -0.483 78 HB2 CYS 13 1HB CYS 13 -4.251 3.433 0.051 79 HB3 CYS 13 2HB CYS 13 -4.634 3.178 -1.648 80 H ASN 14 H ASN 14 -4.838 7.058 -2.322 81 HA ASN 14 HA ASN 14 -6.884 6.488 -4.301 82 HB2 ASN 14 1HB ASN 14 -5.138 8.812 -3.643 83 HB3 ASN 14 2HB ASN 14 -5.727 8.674 -5.297 84 HD21 ASN 14 1HD2 ASN 14 -7.757 9.260 -5.746 85 HD22 ASN 14 2HD2 ASN 14 -8.923 9.759 -4.572 86 H GLU 15 H GLU 15 -3.845 5.405 -3.820 87 HA GLU 15 HA GLU 15 -2.987 5.515 -6.605 88 HB2 GLU 15 1HB GLU 15 -1.694 4.650 -4.041 89 HB3 GLU 15 2HB GLU 15 -1.027 4.132 -5.582 90 HG2 GLU 15 1HG GLU 15 0.082 6.130 -4.705 91 HG3 GLU 15 2HG GLU 15 -0.696 6.422 -6.259 92 H CYS 16 H CYS 16 -3.736 3.075 -4.129 93 HA CYS 16 HA CYS 16 -4.165 1.131 -6.303 94 HB2 CYS 16 1HB CYS 16 -3.652 -0.631 -4.629 95 HB3 CYS 16 2HB CYS 16 -2.294 0.450 -4.921 96 H GLY 17 H GLY 17 -5.327 2.336 -3.194 97 HA2 GLY 17 1HA GLY 17 -7.746 2.660 -2.990 98 HA3 GLY 17 2HA GLY 17 -7.948 1.124 -3.820 99 H LYS 18 H LYS 18 -5.455 1.430 -1.442 100 HA LYS 18 HA LYS 18 -6.739 -0.586 0.186 101 HB2 LYS 18 1HB LYS 18 -4.179 -0.254 -0.430 102 HB3 LYS 18 2HB LYS 18 -4.202 0.745 1.017 103 HG2 LYS 18 1HG LYS 18 -4.809 -1.073 2.386 104 HG3 LYS 18 2HG LYS 18 -5.214 -2.082 0.995 105 HD2 LYS 18 1HD LYS 18 -2.834 -2.040 0.322 106 HD3 LYS 18 2HD LYS 18 -2.464 -1.121 1.783 107 HE2 LYS 18 1HE LYS 18 -3.671 -3.885 1.695 108 HE3 LYS 18 2HE LYS 18 -1.988 -3.509 2.063 109 HZ1 LYS 18 3HZ LYS 18 -3.091 -3.813 4.111 110 HZ2 LYS 18 1HZ LYS 18 -4.386 -2.821 3.662 111 HZ3 LYS 18 2HZ LYS 18 -2.864 -2.144 3.953 112 H ALA 19 H ALA 19 -7.887 -0.230 1.970 113 HA ALA 19 HA ALA 19 -8.076 2.501 2.991 114 HB1 ALA 19 3HB ALA 19 -10.143 1.925 3.902 115 HB2 ALA 19 1HB ALA 19 -10.092 1.035 2.380 116 HB3 ALA 19 2HB ALA 19 -9.770 0.202 3.902 117 H PHE 20 H PHE 20 -7.680 3.066 5.112 118 HA PHE 20 HA PHE 20 -6.559 1.002 6.873 119 HB2 PHE 20 1HB PHE 20 -5.299 3.720 6.467 120 HB3 PHE 20 2HB PHE 20 -4.694 2.417 7.485 121 HD1 PHE 20 HD1 PHE 20 -5.449 3.285 3.955 122 HD2 PHE 20 HD2 PHE 20 -3.206 0.851 6.631 123 HE1 PHE 20 HE1 PHE 20 -4.126 2.431 2.064 124 HE2 PHE 20 HE2 PHE 20 -1.879 -0.006 4.745 125 HZ PHE 20 HZ PHE 20 -2.338 0.785 2.458 126 H GLY 21 H GLY 21 -7.743 0.978 8.660 127 HA2 GLY 21 1HA GLY 21 -9.639 2.812 9.442 128 HA3 GLY 21 2HA GLY 21 -8.833 1.711 10.548 129 H LEU 22 H LEU 22 -6.247 3.163 9.631 130 HA LEU 22 HA LEU 22 -6.582 5.499 11.396 131 HB2 LEU 22 1HB LEU 22 -4.532 3.363 11.330 132 HB3 LEU 22 2HB LEU 22 -3.970 5.000 11.661 133 HG LEU 22 HG LEU 22 -6.048 3.508 13.261 134 HD11 LEU 22 1HD1 LEU 22 -3.294 4.257 14.175 135 HD12 LEU 22 2HD1 LEU 22 -3.607 2.728 13.355 136 HD13 LEU 22 3HD1 LEU 22 -4.420 3.094 14.876 137 HD21 LEU 22 3HD2 LEU 22 -4.896 6.265 13.422 138 HD22 LEU 22 1HD2 LEU 22 -5.455 5.442 14.878 139 HD23 LEU 22 2HD2 LEU 22 -6.577 5.745 13.551 140 H LYS 23 H LYS 23 -5.151 7.299 10.984 141 HA LYS 23 HA LYS 23 -4.935 7.883 8.200 142 HB2 LYS 23 1HB LYS 23 -5.436 9.548 10.032 143 HB3 LYS 23 2HB LYS 23 -3.740 9.451 10.487 144 HG2 LYS 23 1HG LYS 23 -3.050 10.354 8.391 145 HG3 LYS 23 2HG LYS 23 -4.690 10.249 7.746 146 HD2 LYS 23 1HD LYS 23 -5.418 11.862 9.493 147 HD3 LYS 23 2HD LYS 23 -3.731 12.031 9.985 148 HE2 LYS 23 1HE LYS 23 -3.128 12.978 7.895 149 HE3 LYS 23 2HE LYS 23 -4.676 12.543 7.174 150 HZ1 LYS 23 3HZ LYS 23 -4.008 14.926 8.415 151 HZ2 LYS 23 1HZ LYS 23 -5.094 14.151 9.456 152 HZ3 LYS 23 2HZ LYS 23 -5.532 14.454 7.851 153 H SER 24 H SER 24 -2.407 7.966 10.718 154 HA SER 24 HA SER 24 -0.191 8.123 9.146 155 HB2 SER 24 1HB SER 24 0.179 8.210 11.467 156 HB3 SER 24 2HB SER 24 -0.650 6.679 11.748 157 HG SER 24 HG SER 24 1.402 6.063 11.813 158 H GLN 25 H GLN 25 -2.036 5.209 9.906 159 HA GLN 25 HA GLN 25 -0.378 3.259 8.888 160 HB2 GLN 25 1HB GLN 25 -3.386 3.470 8.850 161 HB3 GLN 25 2HB GLN 25 -2.527 2.026 8.331 162 HG2 GLN 25 1HG GLN 25 -2.515 3.261 11.073 163 HG3 GLN 25 2HG GLN 25 -3.251 1.733 10.590 164 HE21 GLN 25 1HE2 GLN 25 -0.906 2.771 12.387 165 HE22 GLN 25 2HE2 GLN 25 0.334 1.608 12.078 166 H LEU 26 H LEU 26 -2.634 5.352 7.145 167 HA LEU 26 HA LEU 26 -2.115 4.129 4.603 168 HB2 LEU 26 1HB LEU 26 -4.242 5.137 4.914 169 HB3 LEU 26 2HB LEU 26 -3.517 6.658 5.431 170 HG LEU 26 HG LEU 26 -2.616 6.889 3.084 171 HD11 LEU 26 1HD1 LEU 26 -4.290 4.435 2.768 172 HD12 LEU 26 2HD1 LEU 26 -2.691 4.795 2.119 173 HD13 LEU 26 3HD1 LEU 26 -4.117 5.568 1.427 174 HD21 LEU 26 3HD2 LEU 26 -4.675 8.013 4.024 175 HD22 LEU 26 1HD2 LEU 26 -5.619 6.762 3.215 176 HD23 LEU 26 2HD2 LEU 26 -4.612 7.858 2.267 177 H ILE 27 H ILE 27 -1.040 7.052 6.273 178 HA ILE 27 HA ILE 27 0.351 8.292 4.221 179 HB ILE 27 HB ILE 27 1.273 8.208 7.092 180 HG12 ILE 27 1HG1 ILE 27 -0.862 9.903 5.783 181 HG13 ILE 27 2HG1 ILE 27 -1.082 8.752 7.096 182 HG21 ILE 27 1HG2 ILE 27 2.800 9.679 6.443 183 HG22 ILE 27 2HG2 ILE 27 2.230 9.539 4.781 184 HG23 ILE 27 3HG2 ILE 27 1.531 10.752 5.854 185 HD11 ILE 27 3HD1 ILE 27 0.192 11.454 7.156 186 HD12 ILE 27 1HD1 ILE 27 -1.114 10.812 8.152 187 HD13 ILE 27 2HD1 ILE 27 0.541 10.254 8.399 188 H ILE 28 H ILE 28 1.410 5.719 6.406 189 HA ILE 28 HA ILE 28 4.087 5.640 5.437 190 HB ILE 28 HB ILE 28 2.543 3.480 6.879 191 HG12 ILE 28 1HG1 ILE 28 4.534 5.263 8.213 192 HG13 ILE 28 2HG1 ILE 28 2.919 5.892 7.909 193 HG21 ILE 28 1HG2 ILE 28 4.606 2.749 5.689 194 HG22 ILE 28 2HG2 ILE 28 5.522 3.881 6.682 195 HG23 ILE 28 3HG2 ILE 28 4.671 2.534 7.438 196 HD11 ILE 28 3HD1 ILE 28 3.535 3.376 9.438 197 HD12 ILE 28 1HD1 ILE 28 3.164 4.944 10.155 198 HD13 ILE 28 2HD1 ILE 28 1.945 4.100 9.199 199 H HIS 29 H HIS 29 1.099 4.038 4.550 200 HA HIS 29 HA HIS 29 2.282 2.061 2.878 201 HB2 HIS 29 1HB HIS 29 0.078 1.647 3.710 202 HB3 HIS 29 2HB HIS 29 -0.522 3.168 3.055 203 HD1 HIS 29 HD1 HIS 29 0.666 -0.233 1.911 204 HD2 HIS 29 HD2 HIS 29 -1.474 3.032 0.488 205 HE1 HIS 29 HE1 HIS 29 -0.282 -0.963 -0.301 206 H GLU 30 H GLU 30 0.559 5.095 2.140 207 HA GLU 30 HA GLU 30 0.748 5.127 -0.585 208 HB2 GLU 30 1HB GLU 30 1.156 7.493 1.252 209 HB3 GLU 30 2HB GLU 30 0.732 7.583 -0.451 210 HG2 GLU 30 1HG GLU 30 -1.408 6.695 -0.078 211 HG3 GLU 30 2HG GLU 30 -0.985 6.146 1.542 212 H ARG 31 H ARG 31 3.318 5.367 1.686 213 HA ARG 31 HA ARG 31 5.253 6.758 0.256 214 HB2 ARG 31 1HB ARG 31 5.568 4.428 2.154 215 HB3 ARG 31 2HB ARG 31 6.902 5.415 1.574 216 HG2 ARG 31 1HG ARG 31 5.945 7.377 2.631 217 HG3 ARG 31 2HG ARG 31 4.554 6.429 3.163 218 HD2 ARG 31 1HD ARG 31 5.951 6.529 5.040 219 HD3 ARG 31 2HD ARG 31 6.249 4.935 4.350 220 HE ARG 31 HE ARG 31 8.125 6.650 3.246 221 HH11 ARG 31 1HH1 ARG 31 7.264 5.454 6.400 222 HH12 ARG 31 2HH1 ARG 31 8.875 5.565 7.026 223 HH21 ARG 31 1HH2 ARG 31 10.251 6.800 4.058 224 HH22 ARG 31 2HH2 ARG 31 10.574 6.332 5.693 225 H ILE 32 H ILE 32 4.231 3.400 0.014 226 HA ILE 32 HA ILE 32 6.257 2.327 -1.522 227 HB ILE 32 HB ILE 32 4.742 0.656 -2.249 228 HG12 ILE 32 1HG1 ILE 32 2.449 2.476 -1.490 229 HG13 ILE 32 2HG1 ILE 32 3.035 2.264 -3.137 230 HG21 ILE 32 1HG2 ILE 32 4.688 -0.062 -0.149 231 HG22 ILE 32 2HG2 ILE 32 4.716 1.592 0.461 232 HG23 ILE 32 3HG2 ILE 32 3.178 0.821 0.073 233 HD11 ILE 32 3HD1 ILE 32 1.151 0.878 -2.919 234 HD12 ILE 32 1HD1 ILE 32 2.549 -0.195 -2.854 235 HD13 ILE 32 2HD1 ILE 32 1.701 0.241 -1.370 236 H HIS 33 H HIS 33 3.661 4.474 -2.479 237 HA HIS 33 HA HIS 33 4.300 4.214 -5.301 238 HB2 HIS 33 1HB HIS 33 2.374 6.145 -4.001 239 HB3 HIS 33 2HB HIS 33 2.431 5.674 -5.697 240 HD1 HIS 33 HD1 HIS 33 1.953 2.971 -6.057 241 HD2 HIS 33 HD2 HIS 33 0.572 4.737 -2.559 242 HE1 HIS 33 HE1 HIS 33 0.190 1.414 -5.169 243 H THR 34 H THR 34 4.412 6.731 -2.794 244 HA THR 34 HA THR 34 5.251 8.936 -4.027 245 HB THR 34 HB THR 34 6.685 9.494 -2.134 246 HG1 THR 34 HG1 THR 34 7.725 7.946 -1.152 247 HG21 THR 34 3HG2 THR 34 4.214 9.525 -1.862 248 HG22 THR 34 1HG2 THR 34 5.077 9.239 -0.352 249 HG23 THR 34 2HG2 THR 34 4.303 7.896 -1.192 250 H GLY 35 H GLY 35 7.272 6.074 -3.537 251 HA2 GLY 35 1HA GLY 35 9.653 7.213 -4.591 252 HA3 GLY 35 2HA GLY 35 9.329 5.498 -4.388 253 H GLU 36 H GLU 36 7.733 4.590 -6.045 254 HA GLU 36 HA GLU 36 8.516 5.622 -8.685 255 HB2 GLU 36 1HB GLU 36 7.796 2.865 -7.717 256 HB3 GLU 36 2HB GLU 36 7.791 3.269 -9.428 257 HG2 GLU 36 1HG GLU 36 9.879 2.290 -9.005 258 HG3 GLU 36 2HG GLU 36 10.179 4.022 -9.131 259 H SER 37 H SER 37 6.782 7.217 -8.502 260 HA SER 37 HA SER 37 4.076 6.126 -8.770 261 HB2 SER 37 1HB SER 37 3.282 8.373 -8.360 262 HB3 SER 37 2HB SER 37 4.498 7.981 -7.144 263 HG SER 37 HG SER 37 5.392 9.768 -7.794 264 H GLY 38 H GLY 38 5.890 5.734 -10.917 265 HA2 GLY 38 1HA GLY 38 5.799 5.807 -13.216 266 HA3 GLY 38 2HA GLY 38 4.303 6.717 -13.068 267 HA PRO 39 HA PRO 39 7.716 9.450 -14.747 268 HB2 PRO 39 1HB PRO 39 6.417 10.150 -17.026 269 HB3 PRO 39 2HB PRO 39 7.453 8.722 -16.910 270 HG2 PRO 39 1HG PRO 39 4.470 8.916 -16.751 271 HG3 PRO 39 2HG PRO 39 5.470 7.729 -17.608 272 HD2 PRO 39 1HD PRO 39 4.319 7.206 -15.214 273 HD3 PRO 39 2HD PRO 39 5.876 6.504 -15.698 274 H SER 40 H SER 40 4.545 9.664 -13.678 275 HA SER 40 HA SER 40 3.683 12.204 -14.314 276 HB2 SER 40 1HB SER 40 3.382 11.004 -11.558 277 HB3 SER 40 2HB SER 40 2.279 12.101 -12.388 278 HG SER 40 HG SER 40 1.856 9.682 -12.344 279 H SER 41 H SER 41 5.564 11.308 -11.417 280 HA SER 41 HA SER 41 6.012 13.954 -10.564 281 HB2 SER 41 1HB SER 41 6.346 11.627 -9.348 282 HB3 SER 41 2HB SER 41 7.999 11.809 -9.936 283 HG SER 41 HG SER 41 7.476 14.114 -8.947 284 H GLY 42 H GLY 42 7.622 15.403 -10.949 285 HA2 GLY 42 1HA GLY 42 9.223 14.949 -13.329 286 HA3 GLY 42 2HA GLY 42 9.059 16.463 -12.452 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -12.779 -12.394 1.870 2 HA2 GLY 1 1HA GLY 1 -10.318 -13.461 1.191 3 HA3 GLY 1 2HA GLY 1 -10.540 -12.069 0.142 4 H SER 2 H SER 2 -10.515 -13.071 3.540 5 HA SER 2 HA SER 2 -10.096 -11.909 5.463 6 HB2 SER 2 1HB SER 2 -8.059 -10.636 3.620 7 HB3 SER 2 2HB SER 2 -8.031 -10.531 5.380 8 HG SER 2 HG SER 2 -7.456 -12.685 3.710 9 H SER 3 H SER 3 -12.286 -10.873 4.121 10 HA SER 3 HA SER 3 -12.022 -7.992 4.683 11 HB2 SER 3 1HB SER 3 -12.295 -8.284 2.290 12 HB3 SER 3 2HB SER 3 -13.694 -9.329 2.542 13 HG SER 3 HG SER 3 -13.459 -6.549 2.951 14 H GLY 4 H GLY 4 -13.331 -7.230 6.214 15 HA2 GLY 4 1HA GLY 4 -15.718 -8.826 6.912 16 HA3 GLY 4 2HA GLY 4 -14.673 -8.121 8.136 17 H SER 5 H SER 5 -17.193 -7.480 8.430 18 HA SER 5 HA SER 5 -17.371 -4.725 7.407 19 HB2 SER 5 1HB SER 5 -19.427 -6.885 7.403 20 HB3 SER 5 2HB SER 5 -19.968 -5.237 7.721 21 HG SER 5 HG SER 5 -19.461 -4.663 5.726 22 H SER 6 H SER 6 -16.150 -5.361 9.806 23 HA SER 6 HA SER 6 -18.149 -4.629 11.838 24 HB2 SER 6 1HB SER 6 -15.491 -6.037 12.026 25 HB3 SER 6 2HB SER 6 -16.261 -5.327 13.445 26 HG SER 6 HG SER 6 -18.106 -6.644 12.948 27 H GLY 7 H GLY 7 -14.887 -3.863 10.668 28 HA2 GLY 7 1HA GLY 7 -14.949 -1.369 12.223 29 HA3 GLY 7 2HA GLY 7 -13.519 -2.091 11.501 30 H GLN 8 H GLN 8 -14.019 0.578 11.164 31 HA GLN 8 HA GLN 8 -14.850 0.724 8.341 32 HB2 GLN 8 1HB GLN 8 -15.693 2.919 8.688 33 HB3 GLN 8 2HB GLN 8 -16.342 1.924 9.985 34 HG2 GLN 8 1HG GLN 8 -14.847 2.846 11.567 35 HG3 GLN 8 2HG GLN 8 -13.886 3.621 10.308 36 HE21 GLN 8 1HE2 GLN 8 -14.718 5.126 12.367 37 HE22 GLN 8 2HE2 GLN 8 -15.972 6.206 11.872 38 H LYS 9 H LYS 9 -13.500 1.691 6.911 39 HA LYS 9 HA LYS 9 -11.006 2.840 7.980 40 HB2 LYS 9 1HB LYS 9 -11.342 1.079 5.545 41 HB3 LYS 9 2HB LYS 9 -9.849 1.894 5.993 42 HG2 LYS 9 1HG LYS 9 -9.856 0.628 8.124 43 HG3 LYS 9 2HG LYS 9 -11.271 -0.257 7.548 44 HD2 LYS 9 1HD LYS 9 -9.957 -1.029 5.605 45 HD3 LYS 9 2HD LYS 9 -8.543 -0.199 6.256 46 HE2 LYS 9 1HE LYS 9 -8.393 -2.513 6.850 47 HE3 LYS 9 2HE LYS 9 -8.755 -1.593 8.309 48 HZ1 LYS 9 3HZ LYS 9 -10.345 -3.581 6.941 49 HZ2 LYS 9 1HZ LYS 9 -11.209 -2.213 7.434 50 HZ3 LYS 9 2HZ LYS 9 -10.348 -3.124 8.569 51 HA PRO 10 HA PRO 10 -12.915 6.124 5.445 52 HB2 PRO 10 1HB PRO 10 -11.768 8.149 6.842 53 HB3 PRO 10 2HB PRO 10 -13.255 7.345 7.361 54 HG2 PRO 10 1HG PRO 10 -10.443 6.912 8.293 55 HG3 PRO 10 2HG PRO 10 -11.935 7.012 9.246 56 HD2 PRO 10 1HD PRO 10 -10.767 4.653 8.611 57 HD3 PRO 10 2HD PRO 10 -12.525 4.832 8.784 58 H TYR 11 H TYR 11 -9.561 5.976 6.620 59 HA TYR 11 HA TYR 11 -8.515 7.613 4.537 60 HB2 TYR 11 1HB TYR 11 -6.984 5.626 6.219 61 HB3 TYR 11 2HB TYR 11 -6.350 7.051 5.402 62 HD1 TYR 11 HD1 TYR 11 -8.430 5.890 8.223 63 HD2 TYR 11 HD2 TYR 11 -6.477 9.207 6.410 64 HE1 TYR 11 HE1 TYR 11 -8.795 7.213 10.264 65 HE2 TYR 11 HE2 TYR 11 -6.835 10.539 8.446 66 HH TYR 11 HH TYR 11 -8.982 9.801 10.771 67 H VAL 12 H VAL 12 -8.947 6.887 2.513 68 HA VAL 12 HA VAL 12 -8.113 4.145 1.837 69 HB VAL 12 HB VAL 12 -9.993 5.985 0.350 70 HG11 VAL 12 1HG1 VAL 12 -10.196 3.301 -0.521 71 HG12 VAL 12 2HG1 VAL 12 -9.662 4.711 -1.438 72 HG13 VAL 12 3HG1 VAL 12 -8.488 3.739 -0.549 73 HG21 VAL 12 3HG2 VAL 12 -11.141 5.210 2.250 74 HG22 VAL 12 1HG2 VAL 12 -11.636 4.129 0.947 75 HG23 VAL 12 2HG2 VAL 12 -10.434 3.598 2.123 76 H CYS 13 H CYS 13 -6.570 3.789 0.332 77 HA CYS 13 HA CYS 13 -4.882 5.971 -0.422 78 HB2 CYS 13 1HB CYS 13 -4.278 3.472 0.078 79 HB3 CYS 13 2HB CYS 13 -4.652 3.236 -1.626 80 H ASN 14 H ASN 14 -4.851 7.112 -2.255 81 HA ASN 14 HA ASN 14 -6.880 6.561 -4.260 82 HB2 ASN 14 1HB ASN 14 -4.927 8.855 -4.304 83 HB3 ASN 14 2HB ASN 14 -6.523 8.765 -5.043 84 HD21 ASN 14 1HD2 ASN 14 -8.365 8.622 -3.562 85 HD22 ASN 14 2HD2 ASN 14 -8.280 9.467 -2.057 86 H GLU 15 H GLU 15 -3.826 5.518 -3.761 87 HA GLU 15 HA GLU 15 -2.945 5.679 -6.537 88 HB2 GLU 15 1HB GLU 15 -1.661 4.797 -3.973 89 HB3 GLU 15 2HB GLU 15 -0.970 4.319 -5.517 90 HG2 GLU 15 1HG GLU 15 -1.313 7.090 -4.419 91 HG3 GLU 15 2HG GLU 15 0.183 6.255 -4.837 92 H CYS 16 H CYS 16 -3.783 3.228 -4.113 93 HA CYS 16 HA CYS 16 -4.117 1.294 -6.312 94 HB2 CYS 16 1HB CYS 16 -3.604 -0.484 -4.665 95 HB3 CYS 16 2HB CYS 16 -2.259 0.627 -4.898 96 H GLY 17 H GLY 17 -5.340 2.446 -3.206 97 HA2 GLY 17 1HA GLY 17 -7.760 2.744 -3.021 98 HA3 GLY 17 2HA GLY 17 -7.943 1.231 -3.897 99 H LYS 18 H LYS 18 -5.512 1.550 -1.436 100 HA LYS 18 HA LYS 18 -6.824 -0.526 0.115 101 HB2 LYS 18 1HB LYS 18 -4.268 -0.269 -0.485 102 HB3 LYS 18 2HB LYS 18 -4.252 0.751 0.948 103 HG2 LYS 18 1HG LYS 18 -4.704 -0.998 2.368 104 HG3 LYS 18 2HG LYS 18 -5.468 -1.966 1.105 105 HD2 LYS 18 1HD LYS 18 -3.151 -2.091 0.039 106 HD3 LYS 18 2HD LYS 18 -2.539 -1.477 1.577 107 HE2 LYS 18 1HE LYS 18 -2.364 -3.800 1.772 108 HE3 LYS 18 2HE LYS 18 -3.838 -3.401 2.651 109 HZ1 LYS 18 3HZ LYS 18 -4.653 -3.838 0.072 110 HZ2 LYS 18 1HZ LYS 18 -4.837 -4.899 1.377 111 HZ3 LYS 18 2HZ LYS 18 -3.502 -5.046 0.350 112 H ALA 19 H ALA 19 -7.925 -0.210 1.941 113 HA ALA 19 HA ALA 19 -8.116 2.508 2.993 114 HB1 ALA 19 3HB ALA 19 -10.138 1.855 4.019 115 HB2 ALA 19 1HB ALA 19 -10.148 1.114 2.418 116 HB3 ALA 19 2HB ALA 19 -9.766 0.141 3.838 117 H PHE 20 H PHE 20 -7.720 3.049 5.130 118 HA PHE 20 HA PHE 20 -6.530 0.988 6.844 119 HB2 PHE 20 1HB PHE 20 -5.304 3.720 6.420 120 HB3 PHE 20 2HB PHE 20 -4.673 2.429 7.438 121 HD1 PHE 20 HD1 PHE 20 -5.472 3.278 3.915 122 HD2 PHE 20 HD2 PHE 20 -3.188 0.862 6.573 123 HE1 PHE 20 HE1 PHE 20 -4.165 2.426 2.012 124 HE2 PHE 20 HE2 PHE 20 -1.877 0.007 4.675 125 HZ PHE 20 HZ PHE 20 -2.365 0.789 2.391 126 H GLY 21 H GLY 21 -7.784 0.928 8.589 127 HA2 GLY 21 1HA GLY 21 -9.648 2.734 9.439 128 HA3 GLY 21 2HA GLY 21 -8.804 1.642 10.527 129 H LEU 22 H LEU 22 -6.229 3.061 9.683 130 HA LEU 22 HA LEU 22 -6.581 5.408 11.430 131 HB2 LEU 22 1HB LEU 22 -4.507 3.300 11.309 132 HB3 LEU 22 2HB LEU 22 -3.954 4.942 11.634 133 HG LEU 22 HG LEU 22 -5.955 3.389 13.275 134 HD11 LEU 22 1HD1 LEU 22 -3.133 3.321 13.244 135 HD12 LEU 22 2HD1 LEU 22 -4.232 2.571 14.401 136 HD13 LEU 22 3HD1 LEU 22 -3.621 4.199 14.693 137 HD21 LEU 22 3HD2 LEU 22 -5.486 5.344 14.874 138 HD22 LEU 22 1HD2 LEU 22 -6.577 5.623 13.516 139 HD23 LEU 22 2HD2 LEU 22 -4.910 6.196 13.440 140 H LYS 23 H LYS 23 -5.218 7.245 11.002 141 HA LYS 23 HA LYS 23 -5.052 7.858 8.226 142 HB2 LYS 23 1HB LYS 23 -5.544 9.496 10.084 143 HB3 LYS 23 2HB LYS 23 -3.839 9.419 10.509 144 HG2 LYS 23 1HG LYS 23 -3.201 10.348 8.403 145 HG3 LYS 23 2HG LYS 23 -4.857 10.241 7.799 146 HD2 LYS 23 1HD LYS 23 -5.598 11.968 9.198 147 HD3 LYS 23 2HD LYS 23 -4.181 11.848 10.244 148 HE2 LYS 23 1HE LYS 23 -2.800 12.607 8.291 149 HE3 LYS 23 2HE LYS 23 -4.306 12.922 7.432 150 HZ1 LYS 23 3HZ LYS 23 -4.266 14.917 8.372 151 HZ2 LYS 23 1HZ LYS 23 -2.997 14.498 9.410 152 HZ3 LYS 23 2HZ LYS 23 -4.596 14.172 9.854 153 H SER 24 H SER 24 -2.474 7.968 10.691 154 HA SER 24 HA SER 24 -0.298 8.165 9.064 155 HB2 SER 24 1HB SER 24 -0.713 6.835 11.715 156 HB3 SER 24 2HB SER 24 0.843 6.663 10.903 157 HG SER 24 HG SER 24 0.347 8.570 12.414 158 H GLN 25 H GLN 25 -2.048 5.212 9.907 159 HA GLN 25 HA GLN 25 -0.396 3.282 8.871 160 HB2 GLN 25 1HB GLN 25 -3.408 3.456 8.818 161 HB3 GLN 25 2HB GLN 25 -2.520 2.013 8.346 162 HG2 GLN 25 1HG GLN 25 -2.526 3.321 11.055 163 HG3 GLN 25 2HG GLN 25 -3.283 1.791 10.612 164 HE21 GLN 25 1HE2 GLN 25 -1.534 1.929 12.706 165 HE22 GLN 25 2HE2 GLN 25 -0.075 1.095 12.305 166 H LEU 26 H LEU 26 -2.635 5.382 7.128 167 HA LEU 26 HA LEU 26 -2.121 4.137 4.588 168 HB2 LEU 26 1HB LEU 26 -4.261 5.110 4.888 169 HB3 LEU 26 2HB LEU 26 -3.565 6.642 5.412 170 HG LEU 26 HG LEU 26 -2.629 6.830 3.042 171 HD11 LEU 26 1HD1 LEU 26 -4.845 5.022 2.226 172 HD12 LEU 26 2HD1 LEU 26 -3.300 4.311 2.690 173 HD13 LEU 26 3HD1 LEU 26 -3.374 5.470 1.363 174 HD21 LEU 26 3HD2 LEU 26 -4.351 8.194 2.586 175 HD22 LEU 26 1HD2 LEU 26 -4.920 7.735 4.191 176 HD23 LEU 26 2HD2 LEU 26 -5.548 6.910 2.764 177 H ILE 27 H ILE 27 -1.000 6.991 6.313 178 HA ILE 27 HA ILE 27 0.349 8.273 4.229 179 HB ILE 27 HB ILE 27 1.291 8.226 7.092 180 HG12 ILE 27 1HG1 ILE 27 -0.937 9.829 5.825 181 HG13 ILE 27 2HG1 ILE 27 -1.079 8.679 7.149 182 HG21 ILE 27 1HG2 ILE 27 1.689 10.725 6.305 183 HG22 ILE 27 2HG2 ILE 27 2.870 9.451 6.003 184 HG23 ILE 27 3HG2 ILE 27 1.763 9.948 4.723 185 HD11 ILE 27 3HD1 ILE 27 0.555 10.280 8.368 186 HD12 ILE 27 1HD1 ILE 27 0.024 11.447 7.158 187 HD13 ILE 27 2HD1 ILE 27 -1.153 10.700 8.239 188 H ILE 28 H ILE 28 1.384 5.683 6.394 189 HA ILE 28 HA ILE 28 4.081 5.638 5.444 190 HB ILE 28 HB ILE 28 2.567 3.479 6.918 191 HG12 ILE 28 1HG1 ILE 28 4.518 5.327 8.226 192 HG13 ILE 28 2HG1 ILE 28 2.885 5.907 7.919 193 HG21 ILE 28 1HG2 ILE 28 5.073 3.090 7.669 194 HG22 ILE 28 2HG2 ILE 28 4.421 2.363 6.202 195 HG23 ILE 28 3HG2 ILE 28 5.400 3.826 6.100 196 HD11 ILE 28 3HD1 ILE 28 3.321 3.306 9.315 197 HD12 ILE 28 1HD1 ILE 28 3.445 4.830 10.193 198 HD13 ILE 28 2HD1 ILE 28 1.938 4.398 9.385 199 H HIS 29 H HIS 29 1.094 4.103 4.512 200 HA HIS 29 HA HIS 29 2.290 2.071 2.892 201 HB2 HIS 29 1HB HIS 29 0.093 1.640 3.713 202 HB3 HIS 29 2HB HIS 29 -0.517 3.165 3.079 203 HD1 HIS 29 HD1 HIS 29 0.632 -0.237 1.914 204 HD2 HIS 29 HD2 HIS 29 -1.446 3.069 0.495 205 HE1 HIS 29 HE1 HIS 29 -0.320 -0.943 -0.304 206 H GLU 30 H GLU 30 0.654 5.150 2.173 207 HA GLU 30 HA GLU 30 0.837 5.124 -0.580 208 HB2 GLU 30 1HB GLU 30 1.140 7.513 1.249 209 HB3 GLU 30 2HB GLU 30 0.764 7.584 -0.467 210 HG2 GLU 30 1HG GLU 30 -1.370 6.704 -0.162 211 HG3 GLU 30 2HG GLU 30 -0.982 6.076 1.439 212 H ARG 31 H ARG 31 3.364 5.270 1.690 213 HA ARG 31 HA ARG 31 5.295 6.753 0.287 214 HB2 ARG 31 1HB ARG 31 5.621 4.475 2.247 215 HB3 ARG 31 2HB ARG 31 6.943 5.483 1.673 216 HG2 ARG 31 1HG ARG 31 5.861 7.451 2.643 217 HG3 ARG 31 2HG ARG 31 4.547 6.431 3.230 218 HD2 ARG 31 1HD ARG 31 5.999 6.731 5.065 219 HD3 ARG 31 2HD ARG 31 6.311 5.102 4.465 220 HE ARG 31 HE ARG 31 8.437 5.749 3.911 221 HH11 ARG 31 1HH1 ARG 31 6.499 8.577 4.515 222 HH12 ARG 31 2HH1 ARG 31 7.842 9.670 4.453 223 HH21 ARG 31 1HH2 ARG 31 10.213 7.178 3.828 224 HH22 ARG 31 2HH2 ARG 31 9.953 8.873 4.062 225 H ILE 32 H ILE 32 4.102 3.527 -0.128 226 HA ILE 32 HA ILE 32 6.267 2.413 -1.544 227 HB ILE 32 HB ILE 32 4.785 0.693 -2.254 228 HG12 ILE 32 1HG1 ILE 32 2.441 2.400 -1.407 229 HG13 ILE 32 2HG1 ILE 32 3.011 2.303 -3.069 230 HG21 ILE 32 1HG2 ILE 32 5.110 0.228 -0.052 231 HG22 ILE 32 2HG2 ILE 32 4.423 1.759 0.488 232 HG23 ILE 32 3HG2 ILE 32 3.361 0.448 -0.024 233 HD11 ILE 32 3HD1 ILE 32 2.710 -0.268 -2.694 234 HD12 ILE 32 1HD1 ILE 32 1.615 0.264 -1.418 235 HD13 ILE 32 2HD1 ILE 32 1.331 0.758 -3.087 236 H HIS 33 H HIS 33 3.706 4.570 -2.487 237 HA HIS 33 HA HIS 33 4.232 4.222 -5.323 238 HB2 HIS 33 1HB HIS 33 2.423 6.243 -3.988 239 HB3 HIS 33 2HB HIS 33 2.412 5.762 -5.682 240 HD1 HIS 33 HD1 HIS 33 2.028 2.934 -5.844 241 HD2 HIS 33 HD2 HIS 33 0.411 5.053 -2.656 242 HE1 HIS 33 HE1 HIS 33 0.184 1.483 -4.938 243 H THR 34 H THR 34 4.559 6.766 -2.867 244 HA THR 34 HA THR 34 5.454 8.896 -4.245 245 HB THR 34 HB THR 34 6.835 9.539 -2.361 246 HG1 THR 34 HG1 THR 34 6.869 7.730 -0.630 247 HG21 THR 34 3HG2 THR 34 5.221 9.358 -0.570 248 HG22 THR 34 1HG2 THR 34 4.447 7.985 -1.361 249 HG23 THR 34 2HG2 THR 34 4.368 9.586 -2.097 250 H GLY 35 H GLY 35 7.254 5.928 -3.685 251 HA2 GLY 35 1HA GLY 35 9.545 7.038 -5.160 252 HA3 GLY 35 2HA GLY 35 9.579 5.596 -4.157 253 H GLU 36 H GLU 36 8.301 3.722 -4.954 254 HA GLU 36 HA GLU 36 9.109 2.688 -7.273 255 HB2 GLU 36 1HB GLU 36 6.323 2.403 -6.136 256 HB3 GLU 36 2HB GLU 36 7.004 1.352 -7.370 257 HG2 GLU 36 1HG GLU 36 8.359 1.723 -4.727 258 HG3 GLU 36 2HG GLU 36 7.047 0.564 -4.937 259 H SER 37 H SER 37 9.115 3.345 -9.308 260 HA SER 37 HA SER 37 7.451 5.459 -10.241 261 HB2 SER 37 1HB SER 37 9.843 4.743 -11.016 262 HB3 SER 37 2HB SER 37 8.973 3.650 -12.092 263 HG SER 37 HG SER 37 7.743 5.820 -12.488 264 H GLY 38 H GLY 38 5.760 5.421 -11.710 265 HA2 GLY 38 1HA GLY 38 4.748 3.525 -13.306 266 HA3 GLY 38 2HA GLY 38 4.232 2.950 -11.728 267 HA PRO 39 HA PRO 39 1.925 7.039 -13.076 268 HB2 PRO 39 1HB PRO 39 1.116 6.834 -15.659 269 HB3 PRO 39 2HB PRO 39 2.629 7.615 -15.186 270 HG2 PRO 39 1HG PRO 39 2.173 4.849 -16.236 271 HG3 PRO 39 2HG PRO 39 3.444 6.011 -16.658 272 HD2 PRO 39 1HD PRO 39 3.862 3.951 -14.951 273 HD3 PRO 39 2HD PRO 39 4.699 5.509 -14.791 274 H SER 40 H SER 40 1.142 4.004 -14.780 275 HA SER 40 HA SER 40 -1.541 4.124 -13.564 276 HB2 SER 40 1HB SER 40 -0.804 2.859 -16.214 277 HB3 SER 40 2HB SER 40 -2.423 2.981 -15.525 278 HG SER 40 HG SER 40 -2.383 4.713 -16.782 279 H SER 41 H SER 41 0.600 1.730 -15.122 280 HA SER 41 HA SER 41 -0.190 -0.198 -13.046 281 HB2 SER 41 1HB SER 41 0.728 -0.509 -15.890 282 HB3 SER 41 2HB SER 41 0.898 -1.845 -14.751 283 HG SER 41 HG SER 41 -1.573 -0.570 -14.849 284 H GLY 42 H GLY 42 1.304 -1.186 -11.768 285 HA2 GLY 42 1HA GLY 42 3.680 -1.922 -11.583 286 HA3 GLY 42 2HA GLY 42 4.103 -0.301 -12.116 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -7.900 -15.169 10.996 2 HA2 GLY 1 1HA GLY 1 -5.282 -14.866 10.099 3 HA3 GLY 1 2HA GLY 1 -6.281 -15.101 8.673 4 H SER 2 H SER 2 -6.884 -13.352 11.711 5 HA SER 2 HA SER 2 -6.751 -10.795 10.379 6 HB2 SER 2 1HB SER 2 -9.045 -10.154 10.683 7 HB3 SER 2 2HB SER 2 -9.042 -11.691 9.819 8 HG SER 2 HG SER 2 -10.426 -12.135 11.380 9 H SER 3 H SER 3 -6.740 -9.035 11.818 10 HA SER 3 HA SER 3 -6.652 -9.752 14.673 11 HB2 SER 3 1HB SER 3 -4.797 -7.786 13.313 12 HB3 SER 3 2HB SER 3 -4.739 -8.306 14.997 13 HG SER 3 HG SER 3 -4.534 -10.173 12.895 14 H GLY 4 H GLY 4 -6.630 -6.892 12.531 15 HA2 GLY 4 1HA GLY 4 -8.980 -5.856 13.899 16 HA3 GLY 4 2HA GLY 4 -7.510 -4.911 14.085 17 H SER 5 H SER 5 -9.087 -6.595 11.365 18 HA SER 5 HA SER 5 -8.813 -4.102 9.816 19 HB2 SER 5 1HB SER 5 -8.483 -5.383 7.839 20 HB3 SER 5 2HB SER 5 -7.456 -6.126 9.065 21 HG SER 5 HG SER 5 -10.050 -7.021 8.335 22 H SER 6 H SER 6 -11.017 -4.508 11.481 23 HA SER 6 HA SER 6 -13.158 -4.754 9.481 24 HB2 SER 6 1HB SER 6 -14.516 -6.062 10.878 25 HB3 SER 6 2HB SER 6 -12.914 -6.767 11.094 26 HG SER 6 HG SER 6 -12.751 -5.819 13.059 27 H GLY 7 H GLY 7 -14.809 -3.286 9.644 28 HA2 GLY 7 1HA GLY 7 -16.032 -1.811 11.306 29 HA3 GLY 7 2HA GLY 7 -14.434 -1.187 11.686 30 H GLN 8 H GLN 8 -14.265 0.804 10.905 31 HA GLN 8 HA GLN 8 -15.135 1.277 8.132 32 HB2 GLN 8 1HB GLN 8 -15.872 3.492 8.714 33 HB3 GLN 8 2HB GLN 8 -16.657 2.344 9.790 34 HG2 GLN 8 1HG GLN 8 -14.731 2.883 11.411 35 HG3 GLN 8 2HG GLN 8 -14.473 4.295 10.388 36 HE21 GLN 8 1HE2 GLN 8 -14.963 5.348 12.492 37 HE22 GLN 8 2HE2 GLN 8 -16.617 5.696 12.847 38 H LYS 9 H LYS 9 -13.584 1.984 6.826 39 HA LYS 9 HA LYS 9 -11.195 3.221 8.032 40 HB2 LYS 9 1HB LYS 9 -11.380 1.333 5.680 41 HB3 LYS 9 2HB LYS 9 -9.927 2.230 6.101 42 HG2 LYS 9 1HG LYS 9 -10.012 1.120 8.350 43 HG3 LYS 9 2HG LYS 9 -11.299 0.094 7.712 44 HD2 LYS 9 1HD LYS 9 -9.516 -0.266 5.772 45 HD3 LYS 9 2HD LYS 9 -8.398 0.128 7.080 46 HE2 LYS 9 1HE LYS 9 -9.683 -1.622 8.443 47 HE3 LYS 9 2HE LYS 9 -10.353 -2.143 6.897 48 HZ1 LYS 9 3HZ LYS 9 -8.200 -3.231 7.822 49 HZ2 LYS 9 1HZ LYS 9 -7.442 -1.864 7.174 50 HZ3 LYS 9 2HZ LYS 9 -8.331 -2.895 6.169 51 HA PRO 10 HA PRO 10 -12.848 6.463 5.310 52 HB2 PRO 10 1HB PRO 10 -11.604 8.486 6.625 53 HB3 PRO 10 2HB PRO 10 -13.131 7.782 7.169 54 HG2 PRO 10 1HG PRO 10 -10.348 7.247 8.133 55 HG3 PRO 10 2HG PRO 10 -11.835 7.464 9.074 56 HD2 PRO 10 1HD PRO 10 -10.788 5.023 8.547 57 HD3 PRO 10 2HD PRO 10 -12.535 5.299 8.703 58 H TYR 11 H TYR 11 -9.515 6.101 6.473 59 HA TYR 11 HA TYR 11 -8.368 7.630 4.352 60 HB2 TYR 11 1HB TYR 11 -6.972 5.602 6.102 61 HB3 TYR 11 2HB TYR 11 -6.240 6.945 5.231 62 HD1 TYR 11 HD1 TYR 11 -8.397 6.049 8.091 63 HD2 TYR 11 HD2 TYR 11 -6.204 9.140 6.156 64 HE1 TYR 11 HE1 TYR 11 -8.662 7.473 10.079 65 HE2 TYR 11 HE2 TYR 11 -6.462 10.572 8.139 66 HH TYR 11 HH TYR 11 -7.972 9.367 11.093 67 H VAL 12 H VAL 12 -8.787 6.894 2.339 68 HA VAL 12 HA VAL 12 -8.075 4.096 1.742 69 HB VAL 12 HB VAL 12 -10.016 5.885 0.272 70 HG11 VAL 12 1HG1 VAL 12 -8.533 3.696 -0.674 71 HG12 VAL 12 2HG1 VAL 12 -10.177 3.107 -0.419 72 HG13 VAL 12 3HG1 VAL 12 -9.890 4.502 -1.461 73 HG21 VAL 12 3HG2 VAL 12 -11.723 4.877 1.360 74 HG22 VAL 12 1HG2 VAL 12 -10.882 3.331 1.471 75 HG23 VAL 12 2HG2 VAL 12 -10.496 4.628 2.602 76 H CYS 13 H CYS 13 -6.446 3.740 0.376 77 HA CYS 13 HA CYS 13 -4.847 5.867 -0.587 78 HB2 CYS 13 1HB CYS 13 -4.233 3.382 -0.035 79 HB3 CYS 13 2HB CYS 13 -4.668 3.096 -1.716 80 H ASN 14 H ASN 14 -4.982 7.017 -2.397 81 HA ASN 14 HA ASN 14 -7.046 6.390 -4.329 82 HB2 ASN 14 1HB ASN 14 -5.092 8.701 -4.304 83 HB3 ASN 14 2HB ASN 14 -6.550 8.571 -5.283 84 HD21 ASN 14 1HD2 ASN 14 -8.250 9.598 -4.540 85 HD22 ASN 14 2HD2 ASN 14 -8.551 10.014 -2.890 86 H GLU 15 H GLU 15 -4.094 5.197 -3.936 87 HA GLU 15 HA GLU 15 -3.296 5.330 -6.752 88 HB2 GLU 15 1HB GLU 15 -1.866 4.472 -4.246 89 HB3 GLU 15 2HB GLU 15 -1.239 4.087 -5.842 90 HG2 GLU 15 1HG GLU 15 -0.256 6.119 -4.800 91 HG3 GLU 15 2HG GLU 15 -0.976 6.383 -6.386 92 H CYS 16 H CYS 16 -3.771 2.911 -4.181 93 HA CYS 16 HA CYS 16 -4.259 0.903 -6.280 94 HB2 CYS 16 1HB CYS 16 -3.662 -0.788 -4.570 95 HB3 CYS 16 2HB CYS 16 -2.342 0.328 -4.905 96 H GLY 17 H GLY 17 -5.415 2.242 -3.234 97 HA2 GLY 17 1HA GLY 17 -7.834 2.492 -2.994 98 HA3 GLY 17 2HA GLY 17 -8.003 0.912 -3.743 99 H LYS 18 H LYS 18 -5.421 1.196 -1.529 100 HA LYS 18 HA LYS 18 -6.644 -0.697 0.248 101 HB2 LYS 18 1HB LYS 18 -4.103 -0.310 -0.439 102 HB3 LYS 18 2HB LYS 18 -4.129 0.721 0.985 103 HG2 LYS 18 1HG LYS 18 -4.495 -1.044 2.423 104 HG3 LYS 18 2HG LYS 18 -5.175 -2.069 1.157 105 HD2 LYS 18 1HD LYS 18 -2.963 -2.300 0.147 106 HD3 LYS 18 2HD LYS 18 -2.278 -1.252 1.391 107 HE2 LYS 18 1HE LYS 18 -1.791 -3.395 2.158 108 HE3 LYS 18 2HE LYS 18 -3.243 -2.959 3.057 109 HZ1 LYS 18 3HZ LYS 18 -2.933 -5.236 1.667 110 HZ2 LYS 18 1HZ LYS 18 -3.748 -4.274 0.538 111 HZ3 LYS 18 2HZ LYS 18 -4.430 -4.553 2.061 112 H ALA 19 H ALA 19 -7.810 -0.279 2.002 113 HA ALA 19 HA ALA 19 -7.995 2.480 2.947 114 HB1 ALA 19 3HB ALA 19 -9.766 0.120 3.002 115 HB2 ALA 19 1HB ALA 19 -9.856 1.199 4.395 116 HB3 ALA 19 2HB ALA 19 -10.151 1.826 2.773 117 H PHE 20 H PHE 20 -7.735 3.059 5.120 118 HA PHE 20 HA PHE 20 -6.592 1.056 6.920 119 HB2 PHE 20 1HB PHE 20 -5.279 3.737 6.442 120 HB3 PHE 20 2HB PHE 20 -4.701 2.447 7.492 121 HD1 PHE 20 HD1 PHE 20 -5.385 3.295 3.949 122 HD2 PHE 20 HD2 PHE 20 -3.289 0.782 6.671 123 HE1 PHE 20 HE1 PHE 20 -4.076 2.371 2.082 124 HE2 PHE 20 HE2 PHE 20 -1.976 -0.145 4.808 125 HZ PHE 20 HZ PHE 20 -2.368 0.649 2.510 126 H GLY 21 H GLY 21 -7.893 1.102 8.630 127 HA2 GLY 21 1HA GLY 21 -9.706 3.031 9.351 128 HA3 GLY 21 2HA GLY 21 -8.974 1.913 10.493 129 H LEU 22 H LEU 22 -6.301 3.217 9.648 130 HA LEU 22 HA LEU 22 -6.575 5.585 11.381 131 HB2 LEU 22 1HB LEU 22 -4.597 3.382 11.327 132 HB3 LEU 22 2HB LEU 22 -3.982 4.999 11.661 133 HG LEU 22 HG LEU 22 -6.113 3.569 13.250 134 HD11 LEU 22 1HD1 LEU 22 -3.631 4.257 14.591 135 HD12 LEU 22 2HD1 LEU 22 -3.393 3.119 13.266 136 HD13 LEU 22 3HD1 LEU 22 -4.522 2.735 14.565 137 HD21 LEU 22 3HD2 LEU 22 -4.924 6.306 13.381 138 HD22 LEU 22 1HD2 LEU 22 -5.448 5.504 14.862 139 HD23 LEU 22 2HD2 LEU 22 -6.604 5.800 13.563 140 H LYS 23 H LYS 23 -5.161 7.365 10.951 141 HA LYS 23 HA LYS 23 -4.879 7.920 8.175 142 HB2 LYS 23 1HB LYS 23 -5.359 9.607 9.993 143 HB3 LYS 23 2HB LYS 23 -3.671 9.471 10.468 144 HG2 LYS 23 1HG LYS 23 -2.925 10.382 8.414 145 HG3 LYS 23 2HG LYS 23 -4.531 10.248 7.695 146 HD2 LYS 23 1HD LYS 23 -5.388 11.937 9.193 147 HD3 LYS 23 2HD LYS 23 -3.847 12.006 10.050 148 HE2 LYS 23 1HE LYS 23 -2.746 12.886 8.101 149 HE3 LYS 23 2HE LYS 23 -4.200 12.666 7.129 150 HZ1 LYS 23 3HZ LYS 23 -3.664 14.662 9.227 151 HZ2 LYS 23 1HZ LYS 23 -5.258 14.224 8.864 152 HZ3 LYS 23 2HZ LYS 23 -4.270 14.892 7.665 153 H SER 24 H SER 24 -2.356 8.038 10.694 154 HA SER 24 HA SER 24 -0.132 8.109 9.148 155 HB2 SER 24 1HB SER 24 -0.702 6.870 11.802 156 HB3 SER 24 2HB SER 24 0.849 6.516 11.041 157 HG SER 24 HG SER 24 0.706 8.442 12.460 158 H GLN 25 H GLN 25 -2.085 5.265 9.859 159 HA GLN 25 HA GLN 25 -0.443 3.262 8.889 160 HB2 GLN 25 1HB GLN 25 -3.445 3.538 8.819 161 HB3 GLN 25 2HB GLN 25 -2.611 2.072 8.321 162 HG2 GLN 25 1HG GLN 25 -2.585 3.330 11.053 163 HG3 GLN 25 2HG GLN 25 -3.377 1.828 10.579 164 HE21 GLN 25 1HE2 GLN 25 -0.968 2.831 12.346 165 HE22 GLN 25 2HE2 GLN 25 0.214 1.602 12.067 166 H LEU 26 H LEU 26 -2.686 5.347 7.108 167 HA LEU 26 HA LEU 26 -2.136 4.115 4.581 168 HB2 LEU 26 1HB LEU 26 -4.258 5.116 4.822 169 HB3 LEU 26 2HB LEU 26 -3.562 6.627 5.406 170 HG LEU 26 HG LEU 26 -2.561 6.867 3.067 171 HD11 LEU 26 1HD1 LEU 26 -2.821 5.153 1.683 172 HD12 LEU 26 2HD1 LEU 26 -4.543 5.529 1.633 173 HD13 LEU 26 3HD1 LEU 26 -3.932 4.349 2.793 174 HD21 LEU 26 3HD2 LEU 26 -5.544 6.934 2.978 175 HD22 LEU 26 1HD2 LEU 26 -4.373 8.116 2.393 176 HD23 LEU 26 2HD2 LEU 26 -4.682 7.963 4.123 177 H ILE 27 H ILE 27 -1.070 7.047 6.242 178 HA ILE 27 HA ILE 27 0.341 8.274 4.199 179 HB ILE 27 HB ILE 27 1.326 8.206 7.044 180 HG12 ILE 27 1HG1 ILE 27 -1.023 9.683 5.861 181 HG13 ILE 27 2HG1 ILE 27 -1.001 8.636 7.276 182 HG21 ILE 27 1HG2 ILE 27 2.283 9.489 4.814 183 HG22 ILE 27 2HG2 ILE 27 1.296 10.729 5.586 184 HG23 ILE 27 3HG2 ILE 27 2.601 9.954 6.485 185 HD11 ILE 27 3HD1 ILE 27 -0.899 10.520 8.448 186 HD12 ILE 27 1HD1 ILE 27 0.791 10.592 7.950 187 HD13 ILE 27 2HD1 ILE 27 -0.435 11.476 7.040 188 H ILE 28 H ILE 28 1.394 5.723 6.417 189 HA ILE 28 HA ILE 28 4.070 5.625 5.452 190 HB ILE 28 HB ILE 28 2.513 3.486 6.910 191 HG12 ILE 28 1HG1 ILE 28 4.522 5.266 8.223 192 HG13 ILE 28 2HG1 ILE 28 2.909 5.902 7.920 193 HG21 ILE 28 1HG2 ILE 28 4.698 2.921 5.643 194 HG22 ILE 28 2HG2 ILE 28 5.487 3.806 6.947 195 HG23 ILE 28 3HG2 ILE 28 4.512 2.382 7.312 196 HD11 ILE 28 3HD1 ILE 28 3.551 3.420 9.495 197 HD12 ILE 28 1HD1 ILE 28 3.114 4.991 10.166 198 HD13 ILE 28 2HD1 ILE 28 1.942 4.082 9.210 199 H HIS 29 H HIS 29 1.082 4.013 4.575 200 HA HIS 29 HA HIS 29 2.256 2.015 2.929 201 HB2 HIS 29 1HB HIS 29 0.046 1.614 3.714 202 HB3 HIS 29 2HB HIS 29 -0.531 3.159 3.095 203 HD1 HIS 29 HD1 HIS 29 0.553 -0.252 1.899 204 HD2 HIS 29 HD2 HIS 29 -1.433 3.118 0.499 205 HE1 HIS 29 HE1 HIS 29 -0.394 -0.910 -0.336 206 H GLU 30 H GLU 30 0.618 5.085 2.153 207 HA GLU 30 HA GLU 30 0.850 5.067 -0.582 208 HB2 GLU 30 1HB GLU 30 1.199 7.454 1.240 209 HB3 GLU 30 2HB GLU 30 0.828 7.527 -0.476 210 HG2 GLU 30 1HG GLU 30 -1.315 6.580 -0.147 211 HG3 GLU 30 2HG GLU 30 -0.940 6.144 1.519 212 H ARG 31 H ARG 31 3.364 5.237 1.725 213 HA ARG 31 HA ARG 31 5.340 6.662 0.378 214 HB2 ARG 31 1HB ARG 31 5.664 4.246 2.169 215 HB3 ARG 31 2HB ARG 31 6.951 5.356 1.718 216 HG2 ARG 31 1HG ARG 31 5.631 7.188 2.798 217 HG3 ARG 31 2HG ARG 31 4.530 5.947 3.399 218 HD2 ARG 31 1HD ARG 31 6.173 6.524 5.094 219 HD3 ARG 31 2HD ARG 31 6.397 4.860 4.555 220 HE ARG 31 HE ARG 31 8.154 6.054 3.010 221 HH11 ARG 31 1HH1 ARG 31 7.459 6.651 6.369 222 HH12 ARG 31 2HH1 ARG 31 9.069 7.169 6.744 223 HH21 ARG 31 1HH2 ARG 31 10.277 6.735 3.492 224 HH22 ARG 31 2HH2 ARG 31 10.671 7.218 5.107 225 H ILE 32 H ILE 32 4.164 3.407 -0.098 226 HA ILE 32 HA ILE 32 6.279 2.374 -1.622 227 HB ILE 32 HB ILE 32 4.763 0.694 -2.400 228 HG12 ILE 32 1HG1 ILE 32 2.513 2.445 -1.384 229 HG13 ILE 32 2HG1 ILE 32 2.938 2.232 -3.079 230 HG21 ILE 32 1HG2 ILE 32 4.288 1.586 0.426 231 HG22 ILE 32 2HG2 ILE 32 3.591 0.097 -0.211 232 HG23 ILE 32 3HG2 ILE 32 5.342 0.301 -0.163 233 HD11 ILE 32 3HD1 ILE 32 2.512 -0.236 -2.728 234 HD12 ILE 32 1HD1 ILE 32 1.790 0.213 -1.183 235 HD13 ILE 32 2HD1 ILE 32 1.104 0.825 -2.688 236 H HIS 33 H HIS 33 3.627 4.489 -2.459 237 HA HIS 33 HA HIS 33 4.182 4.289 -5.306 238 HB2 HIS 33 1HB HIS 33 2.238 6.109 -3.873 239 HB3 HIS 33 2HB HIS 33 2.284 5.770 -5.600 240 HD1 HIS 33 HD1 HIS 33 2.121 2.921 -5.965 241 HD2 HIS 33 HD2 HIS 33 0.247 4.716 -2.720 242 HE1 HIS 33 HE1 HIS 33 0.349 1.296 -5.228 243 H THR 34 H THR 34 4.374 6.716 -2.726 244 HA THR 34 HA THR 34 5.149 8.957 -4.026 245 HB THR 34 HB THR 34 6.437 9.620 -2.088 246 HG1 THR 34 HG1 THR 34 6.621 6.849 -1.723 247 HG21 THR 34 3HG2 THR 34 3.848 9.154 -2.012 248 HG22 THR 34 1HG2 THR 34 4.727 9.597 -0.549 249 HG23 THR 34 2HG2 THR 34 4.326 7.908 -0.859 250 H GLY 35 H GLY 35 6.948 6.003 -3.795 251 HA2 GLY 35 1HA GLY 35 8.966 7.135 -5.587 252 HA3 GLY 35 2HA GLY 35 9.530 6.431 -4.079 253 H GLU 36 H GLU 36 10.239 5.557 -6.700 254 HA GLU 36 HA GLU 36 8.755 3.100 -7.149 255 HB2 GLU 36 1HB GLU 36 10.306 2.798 -9.059 256 HB3 GLU 36 2HB GLU 36 9.449 4.332 -9.107 257 HG2 GLU 36 1HG GLU 36 12.140 4.236 -7.846 258 HG3 GLU 36 2HG GLU 36 12.017 4.192 -9.604 259 H SER 37 H SER 37 9.397 1.100 -6.587 260 HA SER 37 HA SER 37 11.452 0.793 -4.647 261 HB2 SER 37 1HB SER 37 10.920 -1.655 -4.865 262 HB3 SER 37 2HB SER 37 9.520 -0.638 -4.524 263 HG SER 37 HG SER 37 8.798 -1.786 -6.180 264 H GLY 38 H GLY 38 11.114 -0.505 -7.956 265 HA2 GLY 38 1HA GLY 38 13.363 0.001 -9.186 266 HA3 GLY 38 2HA GLY 38 13.987 -1.096 -7.964 267 HA PRO 39 HA PRO 39 12.546 -3.435 -11.787 268 HB2 PRO 39 1HB PRO 39 14.967 -4.476 -12.440 269 HB3 PRO 39 2HB PRO 39 14.395 -2.918 -13.048 270 HG2 PRO 39 1HG PRO 39 16.264 -3.496 -10.783 271 HG3 PRO 39 2HG PRO 39 16.385 -2.255 -12.044 272 HD2 PRO 39 1HD PRO 39 15.508 -1.708 -9.541 273 HD3 PRO 39 2HD PRO 39 14.911 -0.844 -10.973 274 H SER 40 H SER 40 13.069 -5.851 -12.203 275 HA SER 40 HA SER 40 13.014 -8.004 -11.469 276 HB2 SER 40 1HB SER 40 14.640 -6.901 -9.164 277 HB3 SER 40 2HB SER 40 14.416 -8.613 -9.523 278 HG SER 40 HG SER 40 15.825 -8.469 -11.088 279 H SER 41 H SER 41 10.807 -6.399 -10.923 280 HA SER 41 HA SER 41 9.542 -7.921 -8.867 281 HB2 SER 41 1HB SER 41 9.133 -6.268 -7.237 282 HB3 SER 41 2HB SER 41 10.842 -6.073 -7.628 283 HG SER 41 HG SER 41 10.385 -4.266 -8.772 284 H GLY 42 H GLY 42 7.234 -7.192 -8.545 285 HA2 GLY 42 1HA GLY 42 6.229 -5.902 -11.007 286 HA3 GLY 42 2HA GLY 42 5.477 -7.337 -10.327 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -13.476 -10.348 -10.276 2 HA2 GLY 1 1HA GLY 1 -12.197 -11.829 -8.233 3 HA3 GLY 1 2HA GLY 1 -11.623 -10.168 -8.201 4 H SER 2 H SER 2 -12.571 -10.035 -6.079 5 HA SER 2 HA SER 2 -15.228 -8.963 -6.163 6 HB2 SER 2 1HB SER 2 -14.732 -11.680 -5.030 7 HB3 SER 2 2HB SER 2 -15.860 -10.621 -4.184 8 HG SER 2 HG SER 2 -17.245 -11.244 -5.627 9 H SER 3 H SER 3 -15.920 -8.186 -3.977 10 HA SER 3 HA SER 3 -13.554 -7.277 -2.492 11 HB2 SER 3 1HB SER 3 -15.002 -5.448 -1.675 12 HB3 SER 3 2HB SER 3 -14.931 -5.487 -3.437 13 HG SER 3 HG SER 3 -17.048 -6.061 -1.720 14 H GLY 4 H GLY 4 -13.567 -7.251 -0.200 15 HA2 GLY 4 1HA GLY 4 -15.716 -8.554 1.232 16 HA3 GLY 4 2HA GLY 4 -14.244 -9.507 1.122 17 H SER 5 H SER 5 -15.378 -6.265 2.050 18 HA SER 5 HA SER 5 -13.541 -6.382 4.340 19 HB2 SER 5 1HB SER 5 -13.887 -4.078 2.416 20 HB3 SER 5 2HB SER 5 -13.144 -3.901 4.005 21 HG SER 5 HG SER 5 -11.640 -4.286 2.263 22 H SER 6 H SER 6 -14.525 -5.989 6.207 23 HA SER 6 HA SER 6 -17.209 -4.794 6.141 24 HB2 SER 6 1HB SER 6 -17.589 -5.893 8.288 25 HB3 SER 6 2HB SER 6 -17.024 -7.071 7.103 26 HG SER 6 HG SER 6 -16.022 -6.932 9.353 27 H GLY 7 H GLY 7 -14.208 -4.761 8.060 28 HA2 GLY 7 1HA GLY 7 -14.831 -2.735 9.836 29 HA3 GLY 7 2HA GLY 7 -13.209 -3.070 9.251 30 H GLN 8 H GLN 8 -14.990 -0.575 9.776 31 HA GLN 8 HA GLN 8 -15.100 0.729 7.225 32 HB2 GLN 8 1HB GLN 8 -15.762 2.708 8.489 33 HB3 GLN 8 2HB GLN 8 -16.668 1.300 9.026 34 HG2 GLN 8 1HG GLN 8 -14.180 2.076 10.469 35 HG3 GLN 8 2HG GLN 8 -15.670 2.975 10.752 36 HE21 GLN 8 1HE2 GLN 8 -14.632 1.746 12.855 37 HE22 GLN 8 2HE2 GLN 8 -15.533 0.333 13.276 38 H LYS 9 H LYS 9 -13.722 2.217 6.356 39 HA LYS 9 HA LYS 9 -11.422 3.145 7.860 40 HB2 LYS 9 1HB LYS 9 -11.081 1.493 5.350 41 HB3 LYS 9 2HB LYS 9 -9.793 2.325 6.211 42 HG2 LYS 9 1HG LYS 9 -10.069 0.897 8.119 43 HG3 LYS 9 2HG LYS 9 -11.491 0.141 7.397 44 HD2 LYS 9 1HD LYS 9 -10.171 -0.854 5.670 45 HD3 LYS 9 2HD LYS 9 -8.745 0.066 6.156 46 HE2 LYS 9 1HE LYS 9 -10.131 -1.911 7.955 47 HE3 LYS 9 2HE LYS 9 -8.799 -2.348 6.887 48 HZ1 LYS 9 3HZ LYS 9 -7.920 -1.894 9.037 49 HZ2 LYS 9 1HZ LYS 9 -8.726 -0.410 9.133 50 HZ3 LYS 9 2HZ LYS 9 -7.463 -0.616 8.027 51 HA PRO 10 HA PRO 10 -12.829 6.491 5.181 52 HB2 PRO 10 1HB PRO 10 -11.577 8.441 6.595 53 HB3 PRO 10 2HB PRO 10 -13.126 7.743 7.084 54 HG2 PRO 10 1HG PRO 10 -10.371 7.124 8.079 55 HG3 PRO 10 2HG PRO 10 -11.873 7.330 8.999 56 HD2 PRO 10 1HD PRO 10 -10.856 4.894 8.399 57 HD3 PRO 10 2HD PRO 10 -12.600 5.194 8.533 58 H TYR 11 H TYR 11 -9.520 6.105 6.424 59 HA TYR 11 HA TYR 11 -8.330 7.650 4.337 60 HB2 TYR 11 1HB TYR 11 -6.948 5.629 6.104 61 HB3 TYR 11 2HB TYR 11 -6.225 7.005 5.279 62 HD1 TYR 11 HD1 TYR 11 -8.403 5.989 8.076 63 HD2 TYR 11 HD2 TYR 11 -6.302 9.196 6.230 64 HE1 TYR 11 HE1 TYR 11 -8.755 7.367 10.083 65 HE2 TYR 11 HE2 TYR 11 -6.648 10.583 8.232 66 HH TYR 11 HH TYR 11 -8.858 9.883 10.592 67 H VAL 12 H VAL 12 -8.806 6.872 2.331 68 HA VAL 12 HA VAL 12 -8.022 4.092 1.746 69 HB VAL 12 HB VAL 12 -9.920 5.880 0.219 70 HG11 VAL 12 1HG1 VAL 12 -10.298 4.082 -1.265 71 HG12 VAL 12 2HG1 VAL 12 -8.545 4.229 -1.124 72 HG13 VAL 12 3HG1 VAL 12 -9.398 2.955 -0.250 73 HG21 VAL 12 3HG2 VAL 12 -11.592 4.129 0.935 74 HG22 VAL 12 1HG2 VAL 12 -10.368 3.542 2.061 75 HG23 VAL 12 2HG2 VAL 12 -10.994 5.183 2.216 76 H CYS 13 H CYS 13 -6.411 3.711 0.352 77 HA CYS 13 HA CYS 13 -4.730 5.812 -0.516 78 HB2 CYS 13 1HB CYS 13 -4.209 3.290 -0.059 79 HB3 CYS 13 2HB CYS 13 -4.645 3.081 -1.752 80 H ASN 14 H ASN 14 -4.521 6.835 -2.442 81 HA ASN 14 HA ASN 14 -6.674 6.419 -4.379 82 HB2 ASN 14 1HB ASN 14 -4.776 8.696 -3.846 83 HB3 ASN 14 2HB ASN 14 -5.721 8.617 -5.330 84 HD21 ASN 14 1HD2 ASN 14 -7.247 10.098 -5.127 85 HD22 ASN 14 2HD2 ASN 14 -8.317 10.264 -3.781 86 H GLU 15 H GLU 15 -3.959 4.931 -3.999 87 HA GLU 15 HA GLU 15 -3.064 5.166 -6.795 88 HB2 GLU 15 1HB GLU 15 -1.617 4.464 -4.265 89 HB3 GLU 15 2HB GLU 15 -1.012 3.884 -5.810 90 HG2 GLU 15 1HG GLU 15 -1.606 6.784 -5.386 91 HG3 GLU 15 2HG GLU 15 -0.081 6.079 -4.854 92 H CYS 16 H CYS 16 -3.730 2.849 -4.195 93 HA CYS 16 HA CYS 16 -4.117 0.776 -6.255 94 HB2 CYS 16 1HB CYS 16 -3.515 -0.888 -4.549 95 HB3 CYS 16 2HB CYS 16 -2.210 0.265 -4.808 96 H GLY 17 H GLY 17 -5.334 2.241 -3.305 97 HA2 GLY 17 1HA GLY 17 -7.717 2.490 -3.020 98 HA3 GLY 17 2HA GLY 17 -7.928 0.948 -3.836 99 H LYS 18 H LYS 18 -5.464 1.387 -1.415 100 HA LYS 18 HA LYS 18 -6.728 -0.653 0.221 101 HB2 LYS 18 1HB LYS 18 -4.185 -0.394 -0.408 102 HB3 LYS 18 2HB LYS 18 -4.165 0.700 0.969 103 HG2 LYS 18 1HG LYS 18 -4.568 -0.978 2.484 104 HG3 LYS 18 2HG LYS 18 -5.347 -2.017 1.288 105 HD2 LYS 18 1HD LYS 18 -3.135 -2.338 0.205 106 HD3 LYS 18 2HD LYS 18 -2.400 -1.408 1.512 107 HE2 LYS 18 1HE LYS 18 -2.145 -3.745 1.994 108 HE3 LYS 18 2HE LYS 18 -3.311 -3.060 3.126 109 HZ1 LYS 18 3HZ LYS 18 -5.091 -4.043 1.966 110 HZ2 LYS 18 1HZ LYS 18 -3.923 -5.258 2.116 111 HZ3 LYS 18 2HZ LYS 18 -4.123 -4.454 0.641 112 H ALA 19 H ALA 19 -7.891 -0.255 1.984 113 HA ALA 19 HA ALA 19 -8.061 2.487 2.970 114 HB1 ALA 19 3HB ALA 19 -9.986 0.617 2.491 115 HB2 ALA 19 1HB ALA 19 -9.771 0.478 4.237 116 HB3 ALA 19 2HB ALA 19 -10.185 2.035 3.520 117 H PHE 20 H PHE 20 -7.658 3.089 5.082 118 HA PHE 20 HA PHE 20 -6.535 1.061 6.879 119 HB2 PHE 20 1HB PHE 20 -5.235 3.746 6.387 120 HB3 PHE 20 2HB PHE 20 -4.642 2.461 7.434 121 HD1 PHE 20 HD1 PHE 20 -5.361 3.305 3.899 122 HD2 PHE 20 HD2 PHE 20 -3.243 0.789 6.600 123 HE1 PHE 20 HE1 PHE 20 -4.072 2.379 2.019 124 HE2 PHE 20 HE2 PHE 20 -1.949 -0.141 4.725 125 HZ PHE 20 HZ PHE 20 -2.362 0.654 2.431 126 H GLY 21 H GLY 21 -7.951 1.091 8.514 127 HA2 GLY 21 1HA GLY 21 -9.713 2.996 9.303 128 HA3 GLY 21 2HA GLY 21 -8.945 1.896 10.438 129 H LEU 22 H LEU 22 -6.281 3.137 9.700 130 HA LEU 22 HA LEU 22 -6.572 5.532 11.390 131 HB2 LEU 22 1HB LEU 22 -4.555 3.368 11.263 132 HB3 LEU 22 2HB LEU 22 -3.962 4.994 11.598 133 HG LEU 22 HG LEU 22 -6.006 3.485 13.228 134 HD11 LEU 22 1HD1 LEU 22 -3.443 4.315 14.401 135 HD12 LEU 22 2HD1 LEU 22 -3.341 3.037 13.190 136 HD13 LEU 22 3HD1 LEU 22 -4.364 2.825 14.611 137 HD21 LEU 22 3HD2 LEU 22 -6.573 5.726 13.494 138 HD22 LEU 22 1HD2 LEU 22 -4.896 6.263 13.397 139 HD23 LEU 22 2HD2 LEU 22 -5.470 5.423 14.838 140 H LYS 23 H LYS 23 -5.168 7.332 10.958 141 HA LYS 23 HA LYS 23 -4.958 7.908 8.169 142 HB2 LYS 23 1HB LYS 23 -5.492 9.576 9.991 143 HB3 LYS 23 2HB LYS 23 -3.797 9.506 10.453 144 HG2 LYS 23 1HG LYS 23 -3.105 10.430 8.380 145 HG3 LYS 23 2HG LYS 23 -4.721 10.256 7.692 146 HD2 LYS 23 1HD LYS 23 -5.579 11.889 9.302 147 HD3 LYS 23 2HD LYS 23 -3.963 12.060 9.992 148 HE2 LYS 23 1HE LYS 23 -3.143 13.151 8.114 149 HE3 LYS 23 2HE LYS 23 -4.417 12.523 7.070 150 HZ1 LYS 23 3HZ LYS 23 -5.455 14.132 9.190 151 HZ2 LYS 23 1HZ LYS 23 -5.704 14.259 7.522 152 HZ3 LYS 23 2HZ LYS 23 -4.356 14.991 8.234 153 H SER 24 H SER 24 -2.475 7.894 10.736 154 HA SER 24 HA SER 24 -0.234 8.126 9.174 155 HB2 SER 24 1HB SER 24 1.016 7.126 10.986 156 HB3 SER 24 2HB SER 24 -0.283 8.099 11.677 157 HG SER 24 HG SER 24 -0.631 5.343 11.192 158 H GLN 25 H GLN 25 -2.088 5.208 9.878 159 HA GLN 25 HA GLN 25 -0.405 3.265 8.878 160 HB2 GLN 25 1HB GLN 25 -3.414 3.462 8.773 161 HB3 GLN 25 2HB GLN 25 -2.528 2.019 8.297 162 HG2 GLN 25 1HG GLN 25 -2.579 3.289 11.023 163 HG3 GLN 25 2HG GLN 25 -3.329 1.767 10.544 164 HE21 GLN 25 1HE2 GLN 25 -1.553 1.988 12.672 165 HE22 GLN 25 2HE2 GLN 25 -0.113 1.113 12.288 166 H LEU 26 H LEU 26 -2.672 5.332 7.110 167 HA LEU 26 HA LEU 26 -2.120 4.137 4.572 168 HB2 LEU 26 1HB LEU 26 -4.236 5.175 4.871 169 HB3 LEU 26 2HB LEU 26 -3.491 6.685 5.393 170 HG LEU 26 HG LEU 26 -2.570 6.901 3.052 171 HD11 LEU 26 1HD1 LEU 26 -2.992 5.399 1.452 172 HD12 LEU 26 2HD1 LEU 26 -4.665 5.180 1.965 173 HD13 LEU 26 3HD1 LEU 26 -3.371 4.303 2.781 174 HD21 LEU 26 3HD2 LEU 26 -4.496 7.963 2.268 175 HD22 LEU 26 1HD2 LEU 26 -4.673 7.999 4.022 176 HD23 LEU 26 2HD2 LEU 26 -5.569 6.815 3.070 177 H ILE 27 H ILE 27 -1.027 7.044 6.262 178 HA ILE 27 HA ILE 27 0.399 8.278 4.237 179 HB ILE 27 HB ILE 27 1.264 8.141 7.126 180 HG12 ILE 27 1HG1 ILE 27 -0.689 10.016 5.775 181 HG13 ILE 27 2HG1 ILE 27 -1.093 8.786 6.968 182 HG21 ILE 27 1HG2 ILE 27 2.886 9.529 6.528 183 HG22 ILE 27 2HG2 ILE 27 2.352 9.439 4.850 184 HG23 ILE 27 3HG2 ILE 27 1.689 10.673 5.921 185 HD11 ILE 27 3HD1 ILE 27 0.529 10.061 8.503 186 HD12 ILE 27 1HD1 ILE 27 0.344 11.378 7.345 187 HD13 ILE 27 2HD1 ILE 27 -1.067 10.745 8.195 188 H ILE 28 H ILE 28 1.455 5.715 6.448 189 HA ILE 28 HA ILE 28 4.116 5.590 5.466 190 HB ILE 28 HB ILE 28 2.538 3.451 6.900 191 HG12 ILE 28 1HG1 ILE 28 4.577 5.171 8.239 192 HG13 ILE 28 2HG1 ILE 28 2.985 5.857 7.931 193 HG21 ILE 28 1HG2 ILE 28 4.514 2.307 7.268 194 HG22 ILE 28 2HG2 ILE 28 4.719 2.886 5.616 195 HG23 ILE 28 3HG2 ILE 28 5.514 3.724 6.947 196 HD11 ILE 28 3HD1 ILE 28 1.943 4.102 9.215 197 HD12 ILE 28 1HD1 ILE 28 3.503 3.314 9.452 198 HD13 ILE 28 2HD1 ILE 28 3.193 4.893 10.176 199 H HIS 29 H HIS 29 1.117 3.993 4.589 200 HA HIS 29 HA HIS 29 2.273 2.019 2.907 201 HB2 HIS 29 1HB HIS 29 0.040 1.692 3.757 202 HB3 HIS 29 2HB HIS 29 -0.515 3.183 3.002 203 HD1 HIS 29 HD1 HIS 29 0.655 -0.291 2.078 204 HD2 HIS 29 HD2 HIS 29 -1.406 2.916 0.426 205 HE1 HIS 29 HE1 HIS 29 -0.245 -1.129 -0.116 206 H GLU 30 H GLU 30 0.624 5.093 2.168 207 HA GLU 30 HA GLU 30 0.840 5.118 -0.561 208 HB2 GLU 30 1HB GLU 30 1.231 7.471 1.297 209 HB3 GLU 30 2HB GLU 30 0.862 7.581 -0.418 210 HG2 GLU 30 1HG GLU 30 -1.295 6.661 -0.107 211 HG3 GLU 30 2HG GLU 30 -0.926 6.184 1.549 212 H ARG 31 H ARG 31 3.381 5.276 1.733 213 HA ARG 31 HA ARG 31 5.356 6.676 0.368 214 HB2 ARG 31 1HB ARG 31 5.661 4.256 2.156 215 HB3 ARG 31 2HB ARG 31 6.969 5.331 1.680 216 HG2 ARG 31 1HG ARG 31 5.956 7.167 2.858 217 HG3 ARG 31 2HG ARG 31 4.536 6.187 3.232 218 HD2 ARG 31 1HD ARG 31 5.968 6.285 5.167 219 HD3 ARG 31 2HD ARG 31 5.986 4.648 4.512 220 HE ARG 31 HE ARG 31 8.127 6.381 3.615 221 HH11 ARG 31 1HH1 ARG 31 7.075 3.968 5.894 222 HH12 ARG 31 2HH1 ARG 31 8.683 3.468 6.304 223 HH21 ARG 31 1HH2 ARG 31 10.247 5.731 4.147 224 HH22 ARG 31 2HH2 ARG 31 10.486 4.472 5.311 225 H ILE 32 H ILE 32 4.205 3.393 -0.057 226 HA ILE 32 HA ILE 32 6.275 2.364 -1.622 227 HB ILE 32 HB ILE 32 4.752 0.689 -2.376 228 HG12 ILE 32 1HG1 ILE 32 2.470 2.382 -1.345 229 HG13 ILE 32 2HG1 ILE 32 2.952 2.325 -3.037 230 HG21 ILE 32 1HG2 ILE 32 4.594 1.598 0.426 231 HG22 ILE 32 2HG2 ILE 32 3.404 0.397 -0.072 232 HG23 ILE 32 3HG2 ILE 32 5.126 0.054 -0.240 233 HD11 ILE 32 3HD1 ILE 32 2.651 -0.333 -2.317 234 HD12 ILE 32 1HD1 ILE 32 1.316 0.500 -1.521 235 HD13 ILE 32 2HD1 ILE 32 1.531 0.644 -3.266 236 H HIS 33 H HIS 33 3.578 4.441 -2.457 237 HA HIS 33 HA HIS 33 4.143 4.266 -5.299 238 HB2 HIS 33 1HB HIS 33 2.198 6.097 -3.886 239 HB3 HIS 33 2HB HIS 33 2.225 5.697 -5.601 240 HD1 HIS 33 HD1 HIS 33 1.921 2.932 -5.990 241 HD2 HIS 33 HD2 HIS 33 0.379 4.641 -2.532 242 HE1 HIS 33 HE1 HIS 33 0.204 1.301 -5.142 243 H THR 34 H THR 34 4.294 6.709 -2.728 244 HA THR 34 HA THR 34 5.062 8.947 -4.032 245 HB THR 34 HB THR 34 6.318 9.639 -2.090 246 HG1 THR 34 HG1 THR 34 6.782 8.048 -0.442 247 HG21 THR 34 3HG2 THR 34 3.722 9.020 -2.029 248 HG22 THR 34 1HG2 THR 34 4.576 9.644 -0.619 249 HG23 THR 34 2HG2 THR 34 4.291 7.911 -0.782 250 H GLY 35 H GLY 35 7.092 6.130 -3.399 251 HA2 GLY 35 1HA GLY 35 9.292 7.413 -4.874 252 HA3 GLY 35 2HA GLY 35 9.456 6.027 -3.806 253 H GLU 36 H GLU 36 10.589 5.978 -6.299 254 HA GLU 36 HA GLU 36 8.836 4.677 -8.176 255 HB2 GLU 36 1HB GLU 36 10.616 6.027 -9.062 256 HB3 GLU 36 2HB GLU 36 11.821 5.129 -8.151 257 HG2 GLU 36 1HG GLU 36 11.331 3.133 -9.480 258 HG3 GLU 36 2HG GLU 36 10.142 4.049 -10.404 259 H SER 37 H SER 37 11.842 3.602 -6.579 260 HA SER 37 HA SER 37 11.917 0.990 -7.169 261 HB2 SER 37 1HB SER 37 13.579 1.883 -5.702 262 HB3 SER 37 2HB SER 37 12.379 2.266 -4.469 263 HG SER 37 HG SER 37 12.526 -0.389 -5.254 264 H GLY 38 H GLY 38 10.928 -0.915 -6.615 265 HA2 GLY 38 1HA GLY 38 9.487 -2.096 -4.978 266 HA3 GLY 38 2HA GLY 38 8.469 -0.664 -4.994 267 HA PRO 39 HA PRO 39 7.148 -3.910 -8.205 268 HB2 PRO 39 1HB PRO 39 4.916 -4.804 -6.943 269 HB3 PRO 39 2HB PRO 39 6.506 -5.546 -6.725 270 HG2 PRO 39 1HG PRO 39 5.075 -3.584 -4.974 271 HG3 PRO 39 2HG PRO 39 5.992 -5.031 -4.517 272 HD2 PRO 39 1HD PRO 39 7.027 -2.535 -4.346 273 HD3 PRO 39 2HD PRO 39 8.023 -3.958 -4.712 274 H SER 40 H SER 40 6.193 -1.057 -6.845 275 HA SER 40 HA SER 40 3.765 -0.857 -8.495 276 HB2 SER 40 1HB SER 40 3.669 -0.354 -5.987 277 HB3 SER 40 2HB SER 40 4.602 1.097 -6.353 278 HG SER 40 HG SER 40 2.616 1.017 -8.077 279 H SER 41 H SER 41 3.679 0.517 -10.172 280 HA SER 41 HA SER 41 6.057 2.177 -10.677 281 HB2 SER 41 1HB SER 41 5.498 0.320 -12.311 282 HB3 SER 41 2HB SER 41 4.054 1.238 -12.736 283 HG SER 41 HG SER 41 6.644 1.633 -13.477 284 H GLY 42 H GLY 42 2.558 2.146 -11.395 285 HA2 GLY 42 1HA GLY 42 1.152 3.973 -10.650 286 HA3 GLY 42 2HA GLY 42 2.533 5.043 -10.840 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -20.192 -4.831 2.327 2 HA2 GLY 1 1HA GLY 1 -20.856 -6.996 0.641 3 HA3 GLY 1 2HA GLY 1 -19.256 -6.406 0.217 4 H SER 2 H SER 2 -21.188 -7.988 2.645 5 HA SER 2 HA SER 2 -20.658 -9.125 4.553 6 HB2 SER 2 1HB SER 2 -19.454 -10.364 2.568 7 HB3 SER 2 2HB SER 2 -17.989 -9.789 3.364 8 HG SER 2 HG SER 2 -19.971 -11.069 4.882 9 H SER 3 H SER 3 -20.108 -6.413 4.764 10 HA SER 3 HA SER 3 -17.564 -6.325 6.239 11 HB2 SER 3 1HB SER 3 -19.229 -4.029 5.178 12 HB3 SER 3 2HB SER 3 -17.670 -3.887 5.990 13 HG SER 3 HG SER 3 -16.827 -5.214 4.244 14 H GLY 4 H GLY 4 -20.874 -4.998 6.415 15 HA2 GLY 4 1HA GLY 4 -22.113 -4.325 8.242 16 HA3 GLY 4 2HA GLY 4 -21.604 -5.879 8.886 17 H SER 5 H SER 5 -21.356 -5.300 10.998 18 HA SER 5 HA SER 5 -20.068 -2.919 11.848 19 HB2 SER 5 1HB SER 5 -21.702 -4.501 13.136 20 HB3 SER 5 2HB SER 5 -20.232 -5.371 13.574 21 HG SER 5 HG SER 5 -21.206 -3.086 14.591 22 H SER 6 H SER 6 -18.100 -2.935 13.262 23 HA SER 6 HA SER 6 -15.859 -3.232 13.516 24 HB2 SER 6 1HB SER 6 -16.674 -6.037 12.763 25 HB3 SER 6 2HB SER 6 -15.003 -5.616 13.138 26 HG SER 6 HG SER 6 -17.270 -5.508 14.821 27 H GLY 7 H GLY 7 -16.611 -2.010 11.184 28 HA2 GLY 7 1HA GLY 7 -14.326 -2.546 9.521 29 HA3 GLY 7 2HA GLY 7 -15.847 -2.977 8.752 30 H GLN 8 H GLN 8 -13.763 -0.409 9.736 31 HA GLN 8 HA GLN 8 -15.234 1.439 8.063 32 HB2 GLN 8 1HB GLN 8 -15.353 3.184 9.813 33 HB3 GLN 8 2HB GLN 8 -16.356 1.786 10.180 34 HG2 GLN 8 1HG GLN 8 -14.275 0.997 11.531 35 HG3 GLN 8 2HG GLN 8 -13.836 2.703 11.480 36 HE21 GLN 8 1HE2 GLN 8 -15.360 4.236 12.350 37 HE22 GLN 8 2HE2 GLN 8 -16.415 3.759 13.632 38 H LYS 9 H LYS 9 -13.635 2.033 6.749 39 HA LYS 9 HA LYS 9 -11.173 3.086 7.964 40 HB2 LYS 9 1HB LYS 9 -11.318 1.330 5.505 41 HB3 LYS 9 2HB LYS 9 -9.864 2.112 6.111 42 HG2 LYS 9 1HG LYS 9 -10.005 0.806 8.164 43 HG3 LYS 9 2HG LYS 9 -11.477 0.031 7.574 44 HD2 LYS 9 1HD LYS 9 -10.211 -0.877 5.669 45 HD3 LYS 9 2HD LYS 9 -8.742 -0.134 6.307 46 HE2 LYS 9 1HE LYS 9 -10.414 -2.148 7.802 47 HE3 LYS 9 2HE LYS 9 -8.991 -2.559 6.845 48 HZ1 LYS 9 3HZ LYS 9 -7.879 -0.766 8.342 49 HZ2 LYS 9 1HZ LYS 9 -8.098 -2.339 8.926 50 HZ3 LYS 9 2HZ LYS 9 -9.160 -1.109 9.393 51 HA PRO 10 HA PRO 10 -12.898 6.349 5.285 52 HB2 PRO 10 1HB PRO 10 -11.791 8.381 6.705 53 HB3 PRO 10 2HB PRO 10 -13.310 7.603 7.166 54 HG2 PRO 10 1HG PRO 10 -10.550 7.150 8.232 55 HG3 PRO 10 2HG PRO 10 -12.082 7.281 9.115 56 HD2 PRO 10 1HD PRO 10 -10.917 4.899 8.567 57 HD3 PRO 10 2HD PRO 10 -12.678 5.102 8.657 58 H TYR 11 H TYR 11 -9.608 5.977 6.530 59 HA TYR 11 HA TYR 11 -8.436 7.639 4.505 60 HB2 TYR 11 1HB TYR 11 -6.980 5.634 6.225 61 HB3 TYR 11 2HB TYR 11 -6.339 7.098 5.487 62 HD1 TYR 11 HD1 TYR 11 -8.586 5.830 8.141 63 HD2 TYR 11 HD2 TYR 11 -6.472 9.185 6.600 64 HE1 TYR 11 HE1 TYR 11 -9.057 7.071 10.212 65 HE2 TYR 11 HE2 TYR 11 -6.936 10.435 8.666 66 HH TYR 11 HH TYR 11 -7.611 10.195 10.851 67 H VAL 12 H VAL 12 -8.840 6.880 2.480 68 HA VAL 12 HA VAL 12 -7.974 4.130 1.872 69 HB VAL 12 HB VAL 12 -9.862 5.886 0.297 70 HG11 VAL 12 1HG1 VAL 12 -8.555 4.332 -1.090 71 HG12 VAL 12 2HG1 VAL 12 -9.125 2.988 -0.099 72 HG13 VAL 12 3HG1 VAL 12 -10.269 3.921 -1.064 73 HG21 VAL 12 3HG2 VAL 12 -10.623 3.357 1.706 74 HG22 VAL 12 1HG2 VAL 12 -10.599 4.894 2.571 75 HG23 VAL 12 2HG2 VAL 12 -11.649 4.686 1.169 76 H CYS 13 H CYS 13 -6.528 3.753 0.238 77 HA CYS 13 HA CYS 13 -4.845 5.962 -0.515 78 HB2 CYS 13 1HB CYS 13 -4.168 3.504 0.039 79 HB3 CYS 13 2HB CYS 13 -4.579 3.195 -1.645 80 H ASN 14 H ASN 14 -5.050 7.169 -2.274 81 HA ASN 14 HA ASN 14 -7.021 6.516 -4.272 82 HB2 ASN 14 1HB ASN 14 -5.097 8.844 -4.082 83 HB3 ASN 14 2HB ASN 14 -6.406 8.704 -5.251 84 HD21 ASN 14 1HD2 ASN 14 -5.529 9.988 -2.353 85 HD22 ASN 14 2HD2 ASN 14 -7.095 10.271 -1.679 86 H GLU 15 H GLU 15 -3.906 5.567 -3.816 87 HA GLU 15 HA GLU 15 -3.087 5.667 -6.604 88 HB2 GLU 15 1HB GLU 15 -1.772 4.797 -4.052 89 HB3 GLU 15 2HB GLU 15 -1.102 4.311 -5.602 90 HG2 GLU 15 1HG GLU 15 -1.584 7.153 -4.739 91 HG3 GLU 15 2HG GLU 15 -0.031 6.320 -4.688 92 H CYS 16 H CYS 16 -3.817 3.207 -4.145 93 HA CYS 16 HA CYS 16 -4.232 1.275 -6.332 94 HB2 CYS 16 1HB CYS 16 -3.641 -0.500 -4.720 95 HB3 CYS 16 2HB CYS 16 -2.318 0.635 -4.966 96 H GLY 17 H GLY 17 -5.352 2.416 -3.183 97 HA2 GLY 17 1HA GLY 17 -7.787 2.701 -2.965 98 HA3 GLY 17 2HA GLY 17 -7.957 1.144 -3.763 99 H LYS 18 H LYS 18 -5.385 1.392 -1.521 100 HA LYS 18 HA LYS 18 -6.601 -0.570 0.188 101 HB2 LYS 18 1HB LYS 18 -4.062 -0.155 -0.473 102 HB3 LYS 18 2HB LYS 18 -4.097 0.848 0.971 103 HG2 LYS 18 1HG LYS 18 -4.544 -0.965 2.366 104 HG3 LYS 18 2HG LYS 18 -5.073 -1.984 1.025 105 HD2 LYS 18 1HD LYS 18 -2.732 -1.925 0.156 106 HD3 LYS 18 2HD LYS 18 -2.260 -1.077 1.631 107 HE2 LYS 18 1HE LYS 18 -3.232 -3.022 2.912 108 HE3 LYS 18 2HE LYS 18 -3.365 -3.866 1.371 109 HZ1 LYS 18 3HZ LYS 18 -1.327 -4.448 2.530 110 HZ2 LYS 18 1HZ LYS 18 -0.848 -2.826 2.557 111 HZ3 LYS 18 2HZ LYS 18 -0.978 -3.645 1.083 112 H ALA 19 H ALA 19 -7.701 -0.245 2.011 113 HA ALA 19 HA ALA 19 -7.982 2.493 2.996 114 HB1 ALA 19 3HB ALA 19 -9.717 0.201 2.816 115 HB2 ALA 19 1HB ALA 19 -9.679 0.833 4.462 116 HB3 ALA 19 2HB ALA 19 -10.117 1.892 3.121 117 H PHE 20 H PHE 20 -7.744 3.032 5.197 118 HA PHE 20 HA PHE 20 -6.481 1.065 6.945 119 HB2 PHE 20 1HB PHE 20 -5.229 3.770 6.445 120 HB3 PHE 20 2HB PHE 20 -4.603 2.487 7.473 121 HD1 PHE 20 HD1 PHE 20 -5.341 3.389 3.962 122 HD2 PHE 20 HD2 PHE 20 -3.229 0.801 6.601 123 HE1 PHE 20 HE1 PHE 20 -4.062 2.497 2.059 124 HE2 PHE 20 HE2 PHE 20 -1.946 -0.094 4.702 125 HZ PHE 20 HZ PHE 20 -2.361 0.754 2.428 126 H GLY 21 H GLY 21 -7.934 1.078 8.555 127 HA2 GLY 21 1HA GLY 21 -9.697 2.970 9.358 128 HA3 GLY 21 2HA GLY 21 -8.924 1.869 10.489 129 H LEU 22 H LEU 22 -6.268 3.138 9.740 130 HA LEU 22 HA LEU 22 -6.574 5.527 11.436 131 HB2 LEU 22 1HB LEU 22 -4.561 3.359 11.342 132 HB3 LEU 22 2HB LEU 22 -3.962 4.985 11.664 133 HG LEU 22 HG LEU 22 -6.027 3.507 13.295 134 HD11 LEU 22 1HD1 LEU 22 -3.546 2.793 13.355 135 HD12 LEU 22 2HD1 LEU 22 -4.385 3.092 14.877 136 HD13 LEU 22 3HD1 LEU 22 -3.296 4.312 14.216 137 HD21 LEU 22 3HD2 LEU 22 -5.384 5.485 14.881 138 HD22 LEU 22 1HD2 LEU 22 -6.603 5.707 13.626 139 HD23 LEU 22 2HD2 LEU 22 -4.958 6.291 13.371 140 H LYS 23 H LYS 23 -5.184 7.332 11.007 141 HA LYS 23 HA LYS 23 -4.975 7.938 8.239 142 HB2 LYS 23 1HB LYS 23 -5.437 9.648 9.949 143 HB3 LYS 23 2HB LYS 23 -3.831 9.406 10.623 144 HG2 LYS 23 1HG LYS 23 -2.841 10.171 8.516 145 HG3 LYS 23 2HG LYS 23 -4.459 10.440 7.865 146 HD2 LYS 23 1HD LYS 23 -4.864 12.012 9.779 147 HD3 LYS 23 2HD LYS 23 -3.154 11.850 10.188 148 HE2 LYS 23 1HE LYS 23 -2.527 12.722 8.011 149 HE3 LYS 23 2HE LYS 23 -4.223 12.814 7.536 150 HZ1 LYS 23 3HZ LYS 23 -4.403 14.783 8.507 151 HZ2 LYS 23 1HZ LYS 23 -2.734 14.773 8.780 152 HZ3 LYS 23 2HZ LYS 23 -3.789 14.199 9.971 153 H SER 24 H SER 24 -2.370 8.048 10.671 154 HA SER 24 HA SER 24 -0.207 8.127 9.031 155 HB2 SER 24 1HB SER 24 1.095 7.444 10.840 156 HB3 SER 24 2HB SER 24 -0.368 8.020 11.638 157 HG SER 24 HG SER 24 0.586 5.419 11.318 158 H GLN 25 H GLN 25 -2.159 5.310 9.799 159 HA GLN 25 HA GLN 25 -0.550 3.270 8.858 160 HB2 GLN 25 1HB GLN 25 -3.538 3.627 8.843 161 HB3 GLN 25 2HB GLN 25 -2.784 2.160 8.233 162 HG2 GLN 25 1HG GLN 25 -2.593 3.258 11.027 163 HG3 GLN 25 2HG GLN 25 -3.484 1.828 10.506 164 HE21 GLN 25 1HE2 GLN 25 -1.094 2.436 12.340 165 HE22 GLN 25 2HE2 GLN 25 0.061 1.230 11.896 166 H LEU 26 H LEU 26 -2.757 5.360 7.034 167 HA LEU 26 HA LEU 26 -2.200 4.094 4.527 168 HB2 LEU 26 1HB LEU 26 -4.310 5.127 4.737 169 HB3 LEU 26 2HB LEU 26 -3.599 6.633 5.312 170 HG LEU 26 HG LEU 26 -2.586 6.867 2.993 171 HD11 LEU 26 1HD1 LEU 26 -4.286 5.598 1.361 172 HD12 LEU 26 2HD1 LEU 26 -4.191 4.411 2.662 173 HD13 LEU 26 3HD1 LEU 26 -2.723 4.932 1.835 174 HD21 LEU 26 3HD2 LEU 26 -5.430 7.155 3.766 175 HD22 LEU 26 1HD2 LEU 26 -5.033 7.359 2.060 176 HD23 LEU 26 2HD2 LEU 26 -4.256 8.377 3.273 177 H ILE 27 H ILE 27 -1.158 7.084 6.116 178 HA ILE 27 HA ILE 27 0.304 8.240 4.080 179 HB ILE 27 HB ILE 27 1.169 8.209 6.970 180 HG12 ILE 27 1HG1 ILE 27 -0.914 9.902 5.577 181 HG13 ILE 27 2HG1 ILE 27 -1.175 8.789 6.916 182 HG21 ILE 27 1HG2 ILE 27 2.615 9.826 6.442 183 HG22 ILE 27 2HG2 ILE 27 2.367 9.335 4.767 184 HG23 ILE 27 3HG2 ILE 27 1.436 10.672 5.441 185 HD11 ILE 27 3HD1 ILE 27 -1.057 11.336 7.354 186 HD12 ILE 27 1HD1 ILE 27 -0.248 10.223 8.457 187 HD13 ILE 27 2HD1 ILE 27 0.686 11.096 7.241 188 H ILE 28 H ILE 28 1.313 5.730 6.366 189 HA ILE 28 HA ILE 28 4.001 5.590 5.469 190 HB ILE 28 HB ILE 28 2.359 3.480 6.876 191 HG12 ILE 28 1HG1 ILE 28 4.409 5.205 8.210 192 HG13 ILE 28 2HG1 ILE 28 2.803 5.863 7.914 193 HG21 ILE 28 1HG2 ILE 28 5.353 3.750 6.634 194 HG22 ILE 28 2HG2 ILE 28 4.481 2.495 7.512 195 HG23 ILE 28 3HG2 ILE 28 4.359 2.588 5.756 196 HD11 ILE 28 3HD1 ILE 28 3.497 3.432 9.541 197 HD12 ILE 28 1HD1 ILE 28 2.884 4.977 10.129 198 HD13 ILE 28 2HD1 ILE 28 1.853 3.935 9.149 199 H HIS 29 H HIS 29 1.037 3.948 4.530 200 HA HIS 29 HA HIS 29 2.268 1.995 2.874 201 HB2 HIS 29 1HB HIS 29 0.057 1.544 3.636 202 HB3 HIS 29 2HB HIS 29 -0.544 3.079 3.017 203 HD1 HIS 29 HD1 HIS 29 0.660 -0.289 1.801 204 HD2 HIS 29 HD2 HIS 29 -1.448 3.018 0.428 205 HE1 HIS 29 HE1 HIS 29 -0.254 -0.959 -0.444 206 H GLU 30 H GLU 30 0.574 5.037 2.112 207 HA GLU 30 HA GLU 30 0.806 5.068 -0.612 208 HB2 GLU 30 1HB GLU 30 1.173 7.422 1.250 209 HB3 GLU 30 2HB GLU 30 0.814 7.532 -0.468 210 HG2 GLU 30 1HG GLU 30 -1.341 6.617 -0.176 211 HG3 GLU 30 2HG GLU 30 -0.981 6.110 1.473 212 H ARG 31 H ARG 31 3.336 5.267 1.697 213 HA ARG 31 HA ARG 31 5.306 6.671 0.337 214 HB2 ARG 31 1HB ARG 31 5.566 4.283 2.170 215 HB3 ARG 31 2HB ARG 31 6.922 5.267 1.636 216 HG2 ARG 31 1HG ARG 31 5.951 7.218 2.724 217 HG3 ARG 31 2HG ARG 31 4.570 6.247 3.240 218 HD2 ARG 31 1HD ARG 31 5.877 6.182 5.127 219 HD3 ARG 31 2HD ARG 31 6.417 4.725 4.295 220 HE ARG 31 HE ARG 31 8.465 5.719 3.925 221 HH11 ARG 31 1HH1 ARG 31 6.205 8.060 5.161 222 HH12 ARG 31 2HH1 ARG 31 7.414 9.266 5.455 223 HH21 ARG 31 1HH2 ARG 31 10.066 7.297 4.307 224 HH22 ARG 31 2HH2 ARG 31 9.610 8.831 4.968 225 H ILE 32 H ILE 32 4.203 3.365 -0.071 226 HA ILE 32 HA ILE 32 6.271 2.332 -1.614 227 HB ILE 32 HB ILE 32 4.767 0.667 -2.381 228 HG12 ILE 32 1HG1 ILE 32 2.474 2.459 -1.555 229 HG13 ILE 32 2HG1 ILE 32 3.030 2.256 -3.212 230 HG21 ILE 32 1HG2 ILE 32 3.234 0.632 -0.082 231 HG22 ILE 32 2HG2 ILE 32 4.845 -0.057 -0.275 232 HG23 ILE 32 3HG2 ILE 32 4.655 1.572 0.373 233 HD11 ILE 32 3HD1 ILE 32 1.667 0.273 -1.435 234 HD12 ILE 32 1HD1 ILE 32 1.193 0.844 -3.035 235 HD13 ILE 32 2HD1 ILE 32 2.578 -0.233 -2.857 236 H HIS 33 H HIS 33 3.668 4.497 -2.487 237 HA HIS 33 HA HIS 33 4.279 4.312 -5.322 238 HB2 HIS 33 1HB HIS 33 2.344 6.178 -3.940 239 HB3 HIS 33 2HB HIS 33 2.401 5.789 -5.657 240 HD1 HIS 33 HD1 HIS 33 2.012 3.057 -6.099 241 HD2 HIS 33 HD2 HIS 33 0.493 4.732 -2.613 242 HE1 HIS 33 HE1 HIS 33 0.248 1.454 -5.296 243 H THR 34 H THR 34 4.448 6.722 -2.724 244 HA THR 34 HA THR 34 5.283 8.959 -3.986 245 HB THR 34 HB THR 34 6.547 9.585 -2.020 246 HG1 THR 34 HG1 THR 34 6.903 7.946 -0.379 247 HG21 THR 34 3HG2 THR 34 3.996 9.313 -1.949 248 HG22 THR 34 1HG2 THR 34 4.846 9.443 -0.410 249 HG23 THR 34 2HG2 THR 34 4.307 7.867 -0.990 250 H GLY 35 H GLY 35 7.077 5.992 -3.671 251 HA2 GLY 35 1HA GLY 35 9.553 7.209 -4.600 252 HA3 GLY 35 2HA GLY 35 9.318 5.522 -4.169 253 H GLU 36 H GLU 36 7.479 7.504 -6.461 254 HA GLU 36 HA GLU 36 8.519 5.842 -8.649 255 HB2 GLU 36 1HB GLU 36 5.623 6.456 -8.059 256 HB3 GLU 36 2HB GLU 36 6.183 5.845 -9.609 257 HG2 GLU 36 1HG GLU 36 6.781 4.393 -7.061 258 HG3 GLU 36 2HG GLU 36 5.247 4.181 -7.903 259 H SER 37 H SER 37 6.616 8.729 -7.825 260 HA SER 37 HA SER 37 6.286 10.689 -8.975 261 HB2 SER 37 1HB SER 37 8.656 10.743 -7.905 262 HB3 SER 37 2HB SER 37 9.233 10.596 -9.565 263 HG SER 37 HG SER 37 7.485 12.458 -9.730 264 H GLY 38 H GLY 38 5.693 8.530 -10.619 265 HA2 GLY 38 1HA GLY 38 6.965 9.104 -13.195 266 HA3 GLY 38 2HA GLY 38 5.912 7.742 -12.842 267 HA PRO 39 HA PRO 39 3.404 10.703 -15.305 268 HB2 PRO 39 1HB PRO 39 2.096 8.769 -16.691 269 HB3 PRO 39 2HB PRO 39 3.677 9.394 -17.174 270 HG2 PRO 39 1HG PRO 39 3.006 6.889 -15.678 271 HG3 PRO 39 2HG PRO 39 4.174 7.129 -16.990 272 HD2 PRO 39 1HD PRO 39 4.912 7.003 -14.388 273 HD3 PRO 39 2HD PRO 39 5.772 8.002 -15.577 274 H SER 40 H SER 40 2.354 11.177 -13.256 275 HA SER 40 HA SER 40 0.176 9.420 -12.453 276 HB2 SER 40 1HB SER 40 1.700 10.579 -10.791 277 HB3 SER 40 2HB SER 40 0.916 12.091 -11.248 278 HG SER 40 HG SER 40 0.009 10.057 -9.657 279 H SER 41 H SER 41 -1.907 10.682 -11.787 280 HA SER 41 HA SER 41 -3.079 11.642 -14.179 281 HB2 SER 41 1HB SER 41 -4.334 10.445 -12.394 282 HB3 SER 41 2HB SER 41 -4.155 11.860 -11.357 283 HG SER 41 HG SER 41 -6.171 11.737 -12.552 284 H GLY 42 H GLY 42 -2.466 13.303 -11.077 285 HA2 GLY 42 1HA GLY 42 -1.519 15.474 -10.907 286 HA3 GLY 42 2HA GLY 42 -1.975 15.774 -12.577 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -15.281 -11.108 -5.521 2 HA2 GLY 1 1HA GLY 1 -17.604 -9.994 -5.956 3 HA3 GLY 1 2HA GLY 1 -17.995 -11.613 -6.514 4 H SER 2 H SER 2 -16.243 -10.267 -3.713 5 HA SER 2 HA SER 2 -17.725 -12.136 -2.003 6 HB2 SER 2 1HB SER 2 -15.960 -11.869 -0.383 7 HB3 SER 2 2HB SER 2 -15.215 -12.169 -1.952 8 HG SER 2 HG SER 2 -15.127 -9.763 -2.073 9 H SER 3 H SER 3 -18.943 -11.456 -0.292 10 HA SER 3 HA SER 3 -19.372 -8.548 -0.086 11 HB2 SER 3 1HB SER 3 -21.655 -8.923 0.359 12 HB3 SER 3 2HB SER 3 -21.276 -10.070 -0.926 13 HG SER 3 HG SER 3 -21.088 -11.687 0.660 14 H GLY 4 H GLY 4 -18.709 -7.645 1.741 15 HA2 GLY 4 1HA GLY 4 -19.161 -8.919 4.290 16 HA3 GLY 4 2HA GLY 4 -17.463 -8.818 3.846 17 H SER 5 H SER 5 -18.387 -7.582 6.118 18 HA SER 5 HA SER 5 -18.306 -4.732 5.370 19 HB2 SER 5 1HB SER 5 -20.451 -5.459 6.439 20 HB3 SER 5 2HB SER 5 -19.533 -5.896 7.880 21 HG SER 5 HG SER 5 -20.477 -3.514 7.199 22 H SER 6 H SER 6 -16.007 -4.792 5.397 23 HA SER 6 HA SER 6 -14.530 -5.619 7.681 24 HB2 SER 6 1HB SER 6 -12.614 -4.804 6.557 25 HB3 SER 6 2HB SER 6 -13.684 -5.369 5.274 26 HG SER 6 HG SER 6 -14.418 -2.991 5.422 27 H GLY 7 H GLY 7 -13.242 -4.223 9.068 28 HA2 GLY 7 1HA GLY 7 -14.668 -2.392 10.516 29 HA3 GLY 7 2HA GLY 7 -12.913 -2.402 10.439 30 H GLN 8 H GLN 8 -14.938 -0.192 10.577 31 HA GLN 8 HA GLN 8 -15.123 1.196 8.172 32 HB2 GLN 8 1HB GLN 8 -15.325 3.242 9.627 33 HB3 GLN 8 2HB GLN 8 -16.427 1.930 10.026 34 HG2 GLN 8 1HG GLN 8 -13.821 2.145 11.455 35 HG3 GLN 8 2HG GLN 8 -15.156 3.205 11.903 36 HE21 GLN 8 1HE2 GLN 8 -17.321 1.632 11.680 37 HE22 GLN 8 2HE2 GLN 8 -17.229 0.303 12.780 38 H LYS 9 H LYS 9 -13.629 2.037 6.893 39 HA LYS 9 HA LYS 9 -11.163 3.098 8.083 40 HB2 LYS 9 1HB LYS 9 -11.335 1.255 5.693 41 HB3 LYS 9 2HB LYS 9 -9.887 2.141 6.155 42 HG2 LYS 9 1HG LYS 9 -9.910 0.965 8.330 43 HG3 LYS 9 2HG LYS 9 -11.289 0.019 7.766 44 HD2 LYS 9 1HD LYS 9 -9.872 -0.735 5.842 45 HD3 LYS 9 2HD LYS 9 -8.501 0.060 6.618 46 HE2 LYS 9 1HE LYS 9 -8.617 -2.367 7.089 47 HE3 LYS 9 2HE LYS 9 -8.700 -1.373 8.543 48 HZ1 LYS 9 3HZ LYS 9 -11.049 -1.707 8.656 49 HZ2 LYS 9 1HZ LYS 9 -10.314 -3.223 8.507 50 HZ3 LYS 9 2HZ LYS 9 -11.070 -2.515 7.170 51 HA PRO 10 HA PRO 10 -12.895 6.343 5.407 52 HB2 PRO 10 1HB PRO 10 -11.693 8.374 6.748 53 HB3 PRO 10 2HB PRO 10 -13.205 7.632 7.284 54 HG2 PRO 10 1HG PRO 10 -10.412 7.142 8.241 55 HG3 PRO 10 2HG PRO 10 -11.903 7.316 9.184 56 HD2 PRO 10 1HD PRO 10 -10.805 4.905 8.626 57 HD3 PRO 10 2HD PRO 10 -12.557 5.142 8.786 58 H TYR 11 H TYR 11 -9.555 6.046 6.570 59 HA TYR 11 HA TYR 11 -8.439 7.624 4.471 60 HB2 TYR 11 1HB TYR 11 -6.995 5.593 6.177 61 HB3 TYR 11 2HB TYR 11 -6.300 6.978 5.342 62 HD1 TYR 11 HD1 TYR 11 -8.442 5.954 8.172 63 HD2 TYR 11 HD2 TYR 11 -6.312 9.144 6.329 64 HE1 TYR 11 HE1 TYR 11 -8.745 7.318 10.196 65 HE2 TYR 11 HE2 TYR 11 -6.608 10.516 8.349 66 HH TYR 11 HH TYR 11 -7.152 10.409 10.584 67 H VAL 12 H VAL 12 -8.734 6.947 2.432 68 HA VAL 12 HA VAL 12 -8.026 4.156 1.797 69 HB VAL 12 HB VAL 12 -9.931 5.959 0.296 70 HG11 VAL 12 1HG1 VAL 12 -8.451 3.760 -0.609 71 HG12 VAL 12 2HG1 VAL 12 -10.094 3.165 -0.357 72 HG13 VAL 12 3HG1 VAL 12 -9.808 4.547 -1.415 73 HG21 VAL 12 3HG2 VAL 12 -11.669 4.998 1.370 74 HG22 VAL 12 1HG2 VAL 12 -10.866 3.432 1.491 75 HG23 VAL 12 2HG2 VAL 12 -10.468 4.718 2.630 76 H CYS 13 H CYS 13 -6.499 3.787 0.286 77 HA CYS 13 HA CYS 13 -4.842 5.953 -0.553 78 HB2 CYS 13 1HB CYS 13 -4.210 3.475 -0.045 79 HB3 CYS 13 2HB CYS 13 -4.670 3.193 -1.721 80 H ASN 14 H ASN 14 -4.657 6.930 -2.510 81 HA ASN 14 HA ASN 14 -6.822 6.444 -4.411 82 HB2 ASN 14 1HB ASN 14 -4.838 8.712 -4.152 83 HB3 ASN 14 2HB ASN 14 -6.049 8.604 -5.426 84 HD21 ASN 14 1HD2 ASN 14 -5.642 10.562 -3.252 85 HD22 ASN 14 2HD2 ASN 14 -7.148 10.624 -2.406 86 H GLU 15 H GLU 15 -3.761 5.359 -3.963 87 HA GLU 15 HA GLU 15 -2.970 5.409 -6.769 88 HB2 GLU 15 1HB GLU 15 -1.615 4.572 -4.224 89 HB3 GLU 15 2HB GLU 15 -0.978 4.065 -5.782 90 HG2 GLU 15 1HG GLU 15 0.228 5.980 -5.293 91 HG3 GLU 15 2HG GLU 15 -1.026 6.552 -6.393 92 H CYS 16 H CYS 16 -3.700 3.033 -4.230 93 HA CYS 16 HA CYS 16 -4.152 1.036 -6.351 94 HB2 CYS 16 1HB CYS 16 -3.618 -0.688 -4.654 95 HB3 CYS 16 2HB CYS 16 -2.265 0.396 -4.962 96 H GLY 17 H GLY 17 -5.297 2.371 -3.298 97 HA2 GLY 17 1HA GLY 17 -7.698 2.692 -3.050 98 HA3 GLY 17 2HA GLY 17 -7.925 1.150 -3.863 99 H LYS 18 H LYS 18 -5.388 1.395 -1.542 100 HA LYS 18 HA LYS 18 -6.670 -0.579 0.121 101 HB2 LYS 18 1HB LYS 18 -4.106 -0.210 -0.505 102 HB3 LYS 18 2HB LYS 18 -4.145 0.757 0.964 103 HG2 LYS 18 1HG LYS 18 -4.732 -1.095 2.291 104 HG3 LYS 18 2HG LYS 18 -5.134 -2.076 0.880 105 HD2 LYS 18 1HD LYS 18 -2.740 -1.964 0.202 106 HD3 LYS 18 2HD LYS 18 -2.394 -1.136 1.722 107 HE2 LYS 18 1HE LYS 18 -3.748 -3.819 1.617 108 HE3 LYS 18 2HE LYS 18 -1.994 -3.650 1.654 109 HZ1 LYS 18 3HZ LYS 18 -3.484 -3.850 3.838 110 HZ2 LYS 18 1HZ LYS 18 -3.463 -2.166 3.675 111 HZ3 LYS 18 2HZ LYS 18 -2.009 -3.020 3.802 112 H ALA 19 H ALA 19 -7.778 -0.234 1.937 113 HA ALA 19 HA ALA 19 -7.989 2.508 2.933 114 HB1 ALA 19 3HB ALA 19 -9.718 0.087 3.096 115 HB2 ALA 19 1HB ALA 19 -9.870 1.335 4.333 116 HB3 ALA 19 2HB ALA 19 -10.130 1.739 2.636 117 H PHE 20 H PHE 20 -7.784 3.017 5.146 118 HA PHE 20 HA PHE 20 -6.589 0.990 6.881 119 HB2 PHE 20 1HB PHE 20 -5.316 3.701 6.466 120 HB3 PHE 20 2HB PHE 20 -4.720 2.400 7.491 121 HD1 PHE 20 HD1 PHE 20 -5.449 3.267 3.958 122 HD2 PHE 20 HD2 PHE 20 -3.244 0.814 6.648 123 HE1 PHE 20 HE1 PHE 20 -4.124 2.400 2.075 124 HE2 PHE 20 HE2 PHE 20 -1.915 -0.057 4.769 125 HZ PHE 20 HZ PHE 20 -2.353 0.736 2.480 126 H GLY 21 H GLY 21 -7.758 0.987 8.678 127 HA2 GLY 21 1HA GLY 21 -9.659 2.831 9.436 128 HA3 GLY 21 2HA GLY 21 -8.858 1.735 10.552 129 H LEU 22 H LEU 22 -6.254 3.139 9.678 130 HA LEU 22 HA LEU 22 -6.590 5.497 11.414 131 HB2 LEU 22 1HB LEU 22 -4.550 3.354 11.357 132 HB3 LEU 22 2HB LEU 22 -3.975 4.990 11.671 133 HG LEU 22 HG LEU 22 -6.043 3.507 13.295 134 HD11 LEU 22 1HD1 LEU 22 -3.403 4.341 14.367 135 HD12 LEU 22 2HD1 LEU 22 -3.465 2.917 13.330 136 HD13 LEU 22 3HD1 LEU 22 -4.427 2.973 14.807 137 HD21 LEU 22 3HD2 LEU 22 -6.612 5.733 13.561 138 HD22 LEU 22 1HD2 LEU 22 -4.944 6.287 13.403 139 HD23 LEU 22 2HD2 LEU 22 -5.469 5.479 14.881 140 H LYS 23 H LYS 23 -5.135 7.287 11.002 141 HA LYS 23 HA LYS 23 -4.923 7.863 8.213 142 HB2 LYS 23 1HB LYS 23 -5.428 9.532 10.047 143 HB3 LYS 23 2HB LYS 23 -3.728 9.445 10.490 144 HG2 LYS 23 1HG LYS 23 -3.060 10.335 8.377 145 HG3 LYS 23 2HG LYS 23 -4.709 10.231 7.756 146 HD2 LYS 23 1HD LYS 23 -5.432 12.033 9.004 147 HD3 LYS 23 2HD LYS 23 -4.162 11.838 10.214 148 HE2 LYS 23 1HE LYS 23 -2.530 12.491 8.375 149 HE3 LYS 23 2HE LYS 23 -3.942 12.987 7.443 150 HZ1 LYS 23 3HZ LYS 23 -3.991 14.887 8.550 151 HZ2 LYS 23 1HZ LYS 23 -2.585 14.445 9.382 152 HZ3 LYS 23 2HZ LYS 23 -4.103 14.079 10.032 153 H SER 24 H SER 24 -2.390 8.022 10.720 154 HA SER 24 HA SER 24 -0.181 8.143 9.143 155 HB2 SER 24 1HB SER 24 -0.684 6.905 11.816 156 HB3 SER 24 2HB SER 24 0.877 6.628 11.043 157 HG SER 24 HG SER 24 1.141 8.886 10.921 158 H GLN 25 H GLN 25 -2.095 5.287 9.869 159 HA GLN 25 HA GLN 25 -0.405 3.297 8.932 160 HB2 GLN 25 1HB GLN 25 -3.415 3.500 8.853 161 HB3 GLN 25 2HB GLN 25 -2.536 2.042 8.414 162 HG2 GLN 25 1HG GLN 25 -2.541 3.397 11.100 163 HG3 GLN 25 2HG GLN 25 -3.329 1.877 10.680 164 HE21 GLN 25 1HE2 GLN 25 -1.598 1.997 12.782 165 HE22 GLN 25 2HE2 GLN 25 -0.152 1.131 12.404 166 H LEU 26 H LEU 26 -2.721 5.293 7.138 167 HA LEU 26 HA LEU 26 -2.175 4.044 4.626 168 HB2 LEU 26 1HB LEU 26 -4.292 5.029 4.826 169 HB3 LEU 26 2HB LEU 26 -3.626 6.533 5.459 170 HG LEU 26 HG LEU 26 -2.581 6.808 3.121 171 HD11 LEU 26 1HD1 LEU 26 -4.194 4.393 2.780 172 HD12 LEU 26 2HD1 LEU 26 -2.858 5.015 1.812 173 HD13 LEU 26 3HD1 LEU 26 -4.489 5.638 1.565 174 HD21 LEU 26 3HD2 LEU 26 -5.576 6.960 3.165 175 HD22 LEU 26 1HD2 LEU 26 -4.418 8.063 2.421 176 HD23 LEU 26 2HD2 LEU 26 -4.586 8.014 4.176 177 H ILE 27 H ILE 27 -1.175 7.076 6.168 178 HA ILE 27 HA ILE 27 0.231 8.251 4.114 179 HB ILE 27 HB ILE 27 1.278 8.242 6.935 180 HG12 ILE 27 1HG1 ILE 27 -1.155 9.620 5.810 181 HG13 ILE 27 2HG1 ILE 27 -1.041 8.617 7.252 182 HG21 ILE 27 1HG2 ILE 27 2.328 10.193 6.405 183 HG22 ILE 27 2HG2 ILE 27 2.315 9.438 4.812 184 HG23 ILE 27 3HG2 ILE 27 1.108 10.657 5.219 185 HD11 ILE 27 3HD1 ILE 27 0.382 11.245 7.005 186 HD12 ILE 27 1HD1 ILE 27 -1.269 11.106 7.607 187 HD13 ILE 27 2HD1 ILE 27 0.051 10.308 8.462 188 H ILE 28 H ILE 28 1.398 5.821 6.427 189 HA ILE 28 HA ILE 28 4.038 5.707 5.410 190 HB ILE 28 HB ILE 28 2.538 3.545 6.893 191 HG12 ILE 28 1HG1 ILE 28 4.453 5.414 8.218 192 HG13 ILE 28 2HG1 ILE 28 2.825 5.991 7.877 193 HG21 ILE 28 1HG2 ILE 28 5.491 3.982 6.997 194 HG22 ILE 28 2HG2 ILE 28 4.563 2.516 7.307 195 HG23 ILE 28 3HG2 ILE 28 4.779 3.089 5.654 196 HD11 ILE 28 3HD1 ILE 28 1.853 4.502 9.341 197 HD12 ILE 28 1HD1 ILE 28 3.223 3.393 9.289 198 HD13 ILE 28 2HD1 ILE 28 3.354 4.918 10.167 199 H HIS 29 H HIS 29 1.057 4.103 4.539 200 HA HIS 29 HA HIS 29 2.243 2.075 2.926 201 HB2 HIS 29 1HB HIS 29 0.045 1.653 3.728 202 HB3 HIS 29 2HB HIS 29 -0.554 3.188 3.107 203 HD1 HIS 29 HD1 HIS 29 0.536 -0.224 1.928 204 HD2 HIS 29 HD2 HIS 29 -1.463 3.130 0.509 205 HE1 HIS 29 HE1 HIS 29 -0.420 -0.902 -0.297 206 H GLU 30 H GLU 30 0.642 5.161 2.165 207 HA GLU 30 HA GLU 30 0.831 5.100 -0.587 208 HB2 GLU 30 1HB GLU 30 1.179 7.519 1.193 209 HB3 GLU 30 2HB GLU 30 0.760 7.550 -0.514 210 HG2 GLU 30 1HG GLU 30 -1.345 6.478 -0.070 211 HG3 GLU 30 2HG GLU 30 -0.920 6.271 1.629 212 H ARG 31 H ARG 31 3.355 5.251 1.689 213 HA ARG 31 HA ARG 31 5.306 6.692 0.277 214 HB2 ARG 31 1HB ARG 31 5.621 4.416 2.241 215 HB3 ARG 31 2HB ARG 31 6.936 5.440 1.681 216 HG2 ARG 31 1HG ARG 31 5.792 7.396 2.641 217 HG3 ARG 31 2HG ARG 31 4.527 6.328 3.253 218 HD2 ARG 31 1HD ARG 31 6.024 6.717 5.052 219 HD3 ARG 31 2HD ARG 31 6.328 5.076 4.482 220 HE ARG 31 HE ARG 31 8.112 7.355 4.288 221 HH11 ARG 31 1HH1 ARG 31 7.384 4.102 3.283 222 HH12 ARG 31 2HH1 ARG 31 9.006 3.754 2.785 223 HH21 ARG 31 1HH2 ARG 31 10.252 6.909 3.635 224 HH22 ARG 31 2HH2 ARG 31 10.637 5.351 2.987 225 H ILE 32 H ILE 32 4.054 3.496 -0.140 226 HA ILE 32 HA ILE 32 6.221 2.351 -1.547 227 HB ILE 32 HB ILE 32 4.731 0.624 -2.222 228 HG12 ILE 32 1HG1 ILE 32 2.408 2.369 -1.388 229 HG13 ILE 32 2HG1 ILE 32 2.949 2.195 -3.054 230 HG21 ILE 32 1HG2 ILE 32 4.296 1.729 0.512 231 HG22 ILE 32 2HG2 ILE 32 3.371 0.320 -0.006 232 HG23 ILE 32 3HG2 ILE 32 5.134 0.261 0.011 233 HD11 ILE 32 3HD1 ILE 32 2.586 -0.306 -2.722 234 HD12 ILE 32 1HD1 ILE 32 1.693 0.146 -1.270 235 HD13 ILE 32 2HD1 ILE 32 1.158 0.721 -2.849 236 H HIS 33 H HIS 33 3.804 4.633 -2.444 237 HA HIS 33 HA HIS 33 4.307 4.231 -5.299 238 HB2 HIS 33 1HB HIS 33 2.377 6.154 -3.988 239 HB3 HIS 33 2HB HIS 33 2.429 5.700 -5.689 240 HD1 HIS 33 HD1 HIS 33 2.072 2.932 -6.000 241 HD2 HIS 33 HD2 HIS 33 0.502 4.778 -2.626 242 HE1 HIS 33 HE1 HIS 33 0.305 1.365 -5.137 243 H THR 34 H THR 34 4.507 6.748 -2.809 244 HA THR 34 HA THR 34 5.310 8.942 -4.144 245 HB THR 34 HB THR 34 6.663 9.606 -2.247 246 HG1 THR 34 HG1 THR 34 6.678 6.825 -1.731 247 HG21 THR 34 3HG2 THR 34 4.119 9.370 -2.068 248 HG22 THR 34 1HG2 THR 34 5.026 9.508 -0.563 249 HG23 THR 34 2HG2 THR 34 4.444 7.932 -1.101 250 H GLY 35 H GLY 35 7.322 6.106 -3.499 251 HA2 GLY 35 1HA GLY 35 9.801 7.015 -4.289 252 HA3 GLY 35 2HA GLY 35 9.238 5.368 -4.533 253 H GLU 36 H GLU 36 8.037 4.909 -6.512 254 HA GLU 36 HA GLU 36 9.239 6.290 -8.756 255 HB2 GLU 36 1HB GLU 36 9.156 3.843 -8.748 256 HB3 GLU 36 2HB GLU 36 7.400 3.891 -8.663 257 HG2 GLU 36 1HG GLU 36 7.771 3.488 -10.894 258 HG3 GLU 36 2HG GLU 36 7.571 5.239 -10.862 259 H SER 37 H SER 37 8.142 7.360 -10.389 260 HA SER 37 HA SER 37 5.719 8.671 -9.583 261 HB2 SER 37 1HB SER 37 7.746 9.562 -11.024 262 HB3 SER 37 2HB SER 37 6.803 8.904 -12.362 263 HG SER 37 HG SER 37 5.426 10.462 -10.522 264 H GLY 38 H GLY 38 3.733 8.691 -10.756 265 HA2 GLY 38 1HA GLY 38 3.066 6.062 -11.815 266 HA3 GLY 38 2HA GLY 38 1.931 7.337 -11.396 267 HA PRO 39 HA PRO 39 1.456 7.873 -15.755 268 HB2 PRO 39 1HB PRO 39 -0.014 10.153 -15.662 269 HB3 PRO 39 2HB PRO 39 -0.682 8.564 -15.274 270 HG2 PRO 39 1HG PRO 39 0.288 10.712 -13.429 271 HG3 PRO 39 2HG PRO 39 -1.160 9.697 -13.301 272 HD2 PRO 39 1HD PRO 39 1.098 9.197 -11.893 273 HD3 PRO 39 2HD PRO 39 0.017 7.906 -12.454 274 H SER 40 H SER 40 1.488 9.977 -17.249 275 HA SER 40 HA SER 40 4.146 11.089 -16.900 276 HB2 SER 40 1HB SER 40 3.324 10.167 -19.099 277 HB3 SER 40 2HB SER 40 2.229 11.547 -19.195 278 HG SER 40 HG SER 40 3.950 12.906 -19.354 279 H SER 41 H SER 41 2.656 12.101 -14.933 280 HA SER 41 HA SER 41 1.716 14.737 -15.809 281 HB2 SER 41 1HB SER 41 1.190 13.019 -13.426 282 HB3 SER 41 2HB SER 41 1.070 14.767 -13.230 283 HG SER 41 HG SER 41 -0.471 13.037 -14.807 284 H GLY 42 H GLY 42 3.987 13.187 -13.582 285 HA2 GLY 42 1HA GLY 42 6.176 14.117 -13.243 286 HA3 GLY 42 2HA GLY 42 5.495 15.714 -13.511 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -7.458 -11.320 -5.672 2 HA2 GLY 1 1HA GLY 1 -6.821 -9.140 -4.355 3 HA3 GLY 1 2HA GLY 1 -8.442 -9.795 -4.178 4 H SER 2 H SER 2 -6.416 -8.350 -2.365 5 HA SER 2 HA SER 2 -6.764 -10.170 -0.077 6 HB2 SER 2 1HB SER 2 -4.335 -8.633 -0.926 7 HB3 SER 2 2HB SER 2 -4.609 -8.946 0.787 8 HG SER 2 HG SER 2 -3.460 -10.664 0.076 9 H SER 3 H SER 3 -8.093 -9.317 1.364 10 HA SER 3 HA SER 3 -7.795 -6.608 2.271 11 HB2 SER 3 1HB SER 3 -10.115 -7.400 0.539 12 HB3 SER 3 2HB SER 3 -10.333 -6.188 1.801 13 HG SER 3 HG SER 3 -9.743 -5.298 -0.256 14 H GLY 4 H GLY 4 -8.684 -6.281 4.286 15 HA2 GLY 4 1HA GLY 4 -9.637 -8.705 5.615 16 HA3 GLY 4 2HA GLY 4 -9.057 -7.247 6.406 17 H SER 5 H SER 5 -10.684 -5.404 4.944 18 HA SER 5 HA SER 5 -12.695 -4.361 5.159 19 HB2 SER 5 1HB SER 5 -13.487 -7.222 4.711 20 HB3 SER 5 2HB SER 5 -14.722 -6.006 5.034 21 HG SER 5 HG SER 5 -12.791 -5.913 2.952 22 H SER 6 H SER 6 -11.426 -4.581 7.528 23 HA SER 6 HA SER 6 -13.542 -5.350 9.430 24 HB2 SER 6 1HB SER 6 -10.540 -5.250 9.783 25 HB3 SER 6 2HB SER 6 -11.671 -5.460 11.120 26 HG SER 6 HG SER 6 -11.082 -7.203 8.993 27 H GLY 7 H GLY 7 -14.533 -3.746 10.452 28 HA2 GLY 7 1HA GLY 7 -14.966 -1.686 11.371 29 HA3 GLY 7 2HA GLY 7 -13.229 -1.510 11.569 30 H GLN 8 H GLN 8 -15.029 0.584 10.898 31 HA GLN 8 HA GLN 8 -15.045 1.132 8.126 32 HB2 GLN 8 1HB GLN 8 -15.731 3.356 8.728 33 HB3 GLN 8 2HB GLN 8 -16.530 2.221 9.808 34 HG2 GLN 8 1HG GLN 8 -14.424 2.745 11.320 35 HG3 GLN 8 2HG GLN 8 -14.433 4.236 10.379 36 HE21 GLN 8 1HE2 GLN 8 -16.434 2.167 12.412 37 HE22 GLN 8 2HE2 GLN 8 -17.446 3.430 13.015 38 H LYS 9 H LYS 9 -13.634 2.180 6.819 39 HA LYS 9 HA LYS 9 -11.172 3.250 8.015 40 HB2 LYS 9 1HB LYS 9 -11.341 1.381 5.646 41 HB3 LYS 9 2HB LYS 9 -9.885 2.241 6.131 42 HG2 LYS 9 1HG LYS 9 -9.989 1.083 8.319 43 HG3 LYS 9 2HG LYS 9 -11.362 0.151 7.717 44 HD2 LYS 9 1HD LYS 9 -9.668 -0.337 5.731 45 HD3 LYS 9 2HD LYS 9 -8.483 -0.013 6.998 46 HE2 LYS 9 1HE LYS 9 -10.055 -1.656 8.362 47 HE3 LYS 9 2HE LYS 9 -10.445 -2.230 6.741 48 HZ1 LYS 9 3HZ LYS 9 -8.442 -3.169 6.509 49 HZ2 LYS 9 1HZ LYS 9 -8.357 -3.078 8.196 50 HZ3 LYS 9 2HZ LYS 9 -7.623 -1.887 7.247 51 HA PRO 10 HA PRO 10 -12.837 6.472 5.271 52 HB2 PRO 10 1HB PRO 10 -11.618 8.509 6.588 53 HB3 PRO 10 2HB PRO 10 -13.145 7.797 7.123 54 HG2 PRO 10 1HG PRO 10 -10.366 7.286 8.112 55 HG3 PRO 10 2HG PRO 10 -11.863 7.495 9.039 56 HD2 PRO 10 1HD PRO 10 -10.793 5.060 8.531 57 HD3 PRO 10 2HD PRO 10 -12.543 5.324 8.672 58 H TYR 11 H TYR 11 -9.513 6.118 6.455 59 HA TYR 11 HA TYR 11 -8.361 7.649 4.332 60 HB2 TYR 11 1HB TYR 11 -6.941 5.653 6.096 61 HB3 TYR 11 2HB TYR 11 -6.241 7.027 5.247 62 HD1 TYR 11 HD1 TYR 11 -8.382 6.030 8.082 63 HD2 TYR 11 HD2 TYR 11 -6.295 9.218 6.190 64 HE1 TYR 11 HE1 TYR 11 -8.708 7.422 10.083 65 HE2 TYR 11 HE2 TYR 11 -6.614 10.619 8.186 66 HH TYR 11 HH TYR 11 -7.368 10.705 10.274 67 H VAL 12 H VAL 12 -8.757 6.882 2.325 68 HA VAL 12 HA VAL 12 -8.000 4.087 1.769 69 HB VAL 12 HB VAL 12 -9.967 5.825 0.272 70 HG11 VAL 12 1HG1 VAL 12 -8.485 4.038 -0.956 71 HG12 VAL 12 2HG1 VAL 12 -9.629 2.907 -0.230 72 HG13 VAL 12 3HG1 VAL 12 -10.207 4.179 -1.308 73 HG21 VAL 12 3HG2 VAL 12 -11.261 5.167 2.010 74 HG22 VAL 12 1HG2 VAL 12 -11.384 3.687 1.059 75 HG23 VAL 12 2HG2 VAL 12 -10.235 3.785 2.393 76 H CYS 13 H CYS 13 -6.454 3.699 0.293 77 HA CYS 13 HA CYS 13 -4.855 5.857 -0.658 78 HB2 CYS 13 1HB CYS 13 -4.161 3.423 -0.053 79 HB3 CYS 13 2HB CYS 13 -4.646 3.049 -1.704 80 H ASN 14 H ASN 14 -4.894 6.899 -2.551 81 HA ASN 14 HA ASN 14 -6.996 6.236 -4.445 82 HB2 ASN 14 1HB ASN 14 -5.178 8.598 -4.057 83 HB3 ASN 14 2HB ASN 14 -6.076 8.398 -5.558 84 HD21 ASN 14 1HD2 ASN 14 -6.982 10.477 -4.822 85 HD22 ASN 14 2HD2 ASN 14 -8.356 10.439 -3.775 86 H GLU 15 H GLU 15 -3.867 5.311 -4.013 87 HA GLU 15 HA GLU 15 -3.103 5.316 -6.819 88 HB2 GLU 15 1HB GLU 15 -1.736 4.544 -4.264 89 HB3 GLU 15 2HB GLU 15 -1.095 3.997 -5.806 90 HG2 GLU 15 1HG GLU 15 -1.515 6.855 -4.964 91 HG3 GLU 15 2HG GLU 15 0.028 6.010 -5.079 92 H CYS 16 H CYS 16 -3.821 2.955 -4.267 93 HA CYS 16 HA CYS 16 -4.246 0.938 -6.374 94 HB2 CYS 16 1HB CYS 16 -3.648 -0.774 -4.694 95 HB3 CYS 16 2HB CYS 16 -2.323 0.342 -5.008 96 H GLY 17 H GLY 17 -5.319 2.146 -3.226 97 HA2 GLY 17 1HA GLY 17 -7.756 2.459 -2.999 98 HA3 GLY 17 2HA GLY 17 -7.939 0.883 -3.753 99 H LYS 18 H LYS 18 -5.368 1.280 -1.499 100 HA LYS 18 HA LYS 18 -6.558 -0.668 0.261 101 HB2 LYS 18 1HB LYS 18 -4.040 -0.335 -0.426 102 HB3 LYS 18 2HB LYS 18 -4.033 0.797 0.921 103 HG2 LYS 18 1HG LYS 18 -4.453 -0.872 2.487 104 HG3 LYS 18 2HG LYS 18 -5.043 -2.001 1.265 105 HD2 LYS 18 1HD LYS 18 -2.793 -2.222 0.360 106 HD3 LYS 18 2HD LYS 18 -2.191 -1.049 1.533 107 HE2 LYS 18 1HE LYS 18 -3.304 -2.750 3.236 108 HE3 LYS 18 2HE LYS 18 -3.013 -3.879 1.913 109 HZ1 LYS 18 3HZ LYS 18 -1.205 -3.468 3.721 110 HZ2 LYS 18 1HZ LYS 18 -0.833 -2.115 2.777 111 HZ3 LYS 18 2HZ LYS 18 -0.758 -3.663 2.102 112 H ALA 19 H ALA 19 -7.702 -0.265 2.036 113 HA ALA 19 HA ALA 19 -7.913 2.497 2.973 114 HB1 ALA 19 3HB ALA 19 -9.760 1.207 4.428 115 HB2 ALA 19 1HB ALA 19 -10.063 1.825 2.803 116 HB3 ALA 19 2HB ALA 19 -9.665 0.122 3.040 117 H PHE 20 H PHE 20 -7.691 3.063 5.166 118 HA PHE 20 HA PHE 20 -6.504 1.074 6.950 119 HB2 PHE 20 1HB PHE 20 -5.233 3.774 6.463 120 HB3 PHE 20 2HB PHE 20 -4.641 2.508 7.533 121 HD1 PHE 20 HD1 PHE 20 -5.336 3.276 3.972 122 HD2 PHE 20 HD2 PHE 20 -3.176 0.878 6.747 123 HE1 PHE 20 HE1 PHE 20 -4.000 2.349 2.126 124 HE2 PHE 20 HE2 PHE 20 -1.836 -0.052 4.905 125 HZ PHE 20 HZ PHE 20 -2.247 0.683 2.591 126 H GLY 21 H GLY 21 -7.899 1.087 8.595 127 HA2 GLY 21 1HA GLY 21 -9.713 2.970 9.348 128 HA3 GLY 21 2HA GLY 21 -8.946 1.879 10.493 129 H LEU 22 H LEU 22 -6.295 3.186 9.735 130 HA LEU 22 HA LEU 22 -6.637 5.574 11.427 131 HB2 LEU 22 1HB LEU 22 -4.605 3.423 11.369 132 HB3 LEU 22 2HB LEU 22 -4.025 5.055 11.692 133 HG LEU 22 HG LEU 22 -6.104 3.574 13.302 134 HD11 LEU 22 1HD1 LEU 22 -3.545 2.953 13.351 135 HD12 LEU 22 2HD1 LEU 22 -4.495 3.050 14.833 136 HD13 LEU 22 3HD1 LEU 22 -3.452 4.392 14.366 137 HD21 LEU 22 3HD2 LEU 22 -4.957 6.339 13.475 138 HD22 LEU 22 1HD2 LEU 22 -5.590 5.517 14.901 139 HD23 LEU 22 2HD2 LEU 22 -6.646 5.831 13.523 140 H LYS 23 H LYS 23 -5.202 7.370 11.018 141 HA LYS 23 HA LYS 23 -4.988 7.974 8.246 142 HB2 LYS 23 1HB LYS 23 -5.460 9.697 9.929 143 HB3 LYS 23 2HB LYS 23 -3.876 9.439 10.647 144 HG2 LYS 23 1HG LYS 23 -2.801 10.225 8.617 145 HG3 LYS 23 2HG LYS 23 -4.376 10.431 7.847 146 HD2 LYS 23 1HD LYS 23 -4.982 12.104 9.519 147 HD3 LYS 23 2HD LYS 23 -3.423 11.883 10.317 148 HE2 LYS 23 1HE LYS 23 -2.391 12.506 8.060 149 HE3 LYS 23 2HE LYS 23 -4.001 13.072 7.619 150 HZ1 LYS 23 3HZ LYS 23 -3.027 14.962 8.454 151 HZ2 LYS 23 1HZ LYS 23 -2.155 14.136 9.646 152 HZ3 LYS 23 2HZ LYS 23 -3.819 14.374 9.829 153 H SER 24 H SER 24 -2.401 8.072 10.698 154 HA SER 24 HA SER 24 -0.227 8.145 9.069 155 HB2 SER 24 1HB SER 24 1.065 7.451 10.886 156 HB3 SER 24 2HB SER 24 -0.392 8.062 11.669 157 HG SER 24 HG SER 24 0.378 5.382 11.216 158 H GLN 25 H GLN 25 -2.124 5.299 9.919 159 HA GLN 25 HA GLN 25 -0.531 3.270 8.966 160 HB2 GLN 25 1HB GLN 25 -3.524 3.607 8.925 161 HB3 GLN 25 2HB GLN 25 -2.746 2.132 8.367 162 HG2 GLN 25 1HG GLN 25 -2.625 3.311 11.131 163 HG3 GLN 25 2HG GLN 25 -3.460 1.840 10.633 164 HE21 GLN 25 1HE2 GLN 25 -0.978 2.760 12.359 165 HE22 GLN 25 2HE2 GLN 25 0.164 1.508 12.026 166 H LEU 26 H LEU 26 -2.682 5.397 7.133 167 HA LEU 26 HA LEU 26 -2.171 4.091 4.632 168 HB2 LEU 26 1HB LEU 26 -4.256 5.177 4.841 169 HB3 LEU 26 2HB LEU 26 -3.506 6.670 5.400 170 HG LEU 26 HG LEU 26 -2.466 6.777 3.044 171 HD11 LEU 26 1HD1 LEU 26 -4.813 5.339 2.030 172 HD12 LEU 26 2HD1 LEU 26 -3.573 4.319 2.757 173 HD13 LEU 26 3HD1 LEU 26 -3.159 5.392 1.421 174 HD21 LEU 26 3HD2 LEU 26 -5.302 7.189 2.608 175 HD22 LEU 26 1HD2 LEU 26 -3.988 8.363 2.691 176 HD23 LEU 26 2HD2 LEU 26 -4.773 7.812 4.171 177 H ILE 27 H ILE 27 -1.093 7.105 6.162 178 HA ILE 27 HA ILE 27 0.393 8.218 4.142 179 HB ILE 27 HB ILE 27 1.256 8.126 7.034 180 HG12 ILE 27 1HG1 ILE 27 -0.639 10.019 5.626 181 HG13 ILE 27 2HG1 ILE 27 -1.076 8.841 6.859 182 HG21 ILE 27 1HG2 ILE 27 2.475 9.251 4.783 183 HG22 ILE 27 2HG2 ILE 27 1.729 10.597 5.643 184 HG23 ILE 27 3HG2 ILE 27 2.872 9.544 6.476 185 HD11 ILE 27 3HD1 ILE 27 0.773 11.175 7.289 186 HD12 ILE 27 1HD1 ILE 27 -0.937 11.140 7.717 187 HD13 ILE 27 2HD1 ILE 27 0.194 10.045 8.512 188 H ILE 28 H ILE 28 1.424 5.710 6.433 189 HA ILE 28 HA ILE 28 4.073 5.494 5.472 190 HB ILE 28 HB ILE 28 2.405 3.405 6.880 191 HG12 ILE 28 1HG1 ILE 28 4.509 5.035 8.232 192 HG13 ILE 28 2HG1 ILE 28 2.949 5.787 7.919 193 HG21 ILE 28 1HG2 ILE 28 4.567 2.748 5.606 194 HG22 ILE 28 2HG2 ILE 28 5.390 3.551 6.942 195 HG23 ILE 28 3HG2 ILE 28 4.330 2.178 7.258 196 HD11 ILE 28 3HD1 ILE 28 3.070 4.832 10.156 197 HD12 ILE 28 1HD1 ILE 28 1.836 4.038 9.179 198 HD13 ILE 28 2HD1 ILE 28 3.384 3.242 9.462 199 H HIS 29 H HIS 29 1.049 4.007 4.508 200 HA HIS 29 HA HIS 29 2.200 2.008 2.839 201 HB2 HIS 29 1HB HIS 29 -0.039 1.679 3.644 202 HB3 HIS 29 2HB HIS 29 -0.572 3.205 2.947 203 HD1 HIS 29 HD1 HIS 29 0.588 -0.233 1.869 204 HD2 HIS 29 HD2 HIS 29 -1.504 3.035 0.383 205 HE1 HIS 29 HE1 HIS 29 -0.333 -0.977 -0.350 206 H GLU 30 H GLU 30 0.680 5.154 2.153 207 HA GLU 30 HA GLU 30 0.902 5.187 -0.591 208 HB2 GLU 30 1HB GLU 30 1.313 7.523 1.283 209 HB3 GLU 30 2HB GLU 30 0.934 7.640 -0.429 210 HG2 GLU 30 1HG GLU 30 -1.225 6.685 -0.091 211 HG3 GLU 30 2HG GLU 30 -0.848 6.300 1.588 212 H ARG 31 H ARG 31 3.411 5.226 1.724 213 HA ARG 31 HA ARG 31 5.425 6.628 0.390 214 HB2 ARG 31 1HB ARG 31 5.621 4.245 2.239 215 HB3 ARG 31 2HB ARG 31 6.996 5.210 1.721 216 HG2 ARG 31 1HG ARG 31 6.065 7.169 2.802 217 HG3 ARG 31 2HG ARG 31 4.632 6.250 3.267 218 HD2 ARG 31 1HD ARG 31 5.936 6.220 5.192 219 HD3 ARG 31 2HD ARG 31 6.292 4.668 4.436 220 HE ARG 31 HE ARG 31 8.095 6.912 4.752 221 HH11 ARG 31 1HH1 ARG 31 7.452 3.877 3.172 222 HH12 ARG 31 2HH1 ARG 31 9.113 3.582 2.777 223 HH21 ARG 31 1HH2 ARG 31 10.285 6.535 4.237 224 HH22 ARG 31 2HH2 ARG 31 10.723 5.094 3.384 225 H ILE 32 H ILE 32 4.090 3.477 -0.176 226 HA ILE 32 HA ILE 32 6.219 2.360 -1.657 227 HB ILE 32 HB ILE 32 4.680 0.708 -2.417 228 HG12 ILE 32 1HG1 ILE 32 2.424 2.483 -1.465 229 HG13 ILE 32 2HG1 ILE 32 2.920 2.332 -3.147 230 HG21 ILE 32 1HG2 ILE 32 3.459 0.145 -0.267 231 HG22 ILE 32 2HG2 ILE 32 5.203 0.377 -0.145 232 HG23 ILE 32 3HG2 ILE 32 4.104 1.655 0.376 233 HD11 ILE 32 3HD1 ILE 32 2.532 -0.230 -2.658 234 HD12 ILE 32 1HD1 ILE 32 1.461 0.421 -1.417 235 HD13 ILE 32 2HD1 ILE 32 1.209 0.844 -3.111 236 H HIS 33 H HIS 33 3.602 4.522 -2.505 237 HA HIS 33 HA HIS 33 4.206 4.334 -5.346 238 HB2 HIS 33 1HB HIS 33 2.223 6.155 -3.972 239 HB3 HIS 33 2HB HIS 33 2.290 5.755 -5.686 240 HD1 HIS 33 HD1 HIS 33 1.959 3.018 -6.116 241 HD2 HIS 33 HD2 HIS 33 0.420 4.666 -2.626 242 HE1 HIS 33 HE1 HIS 33 0.239 1.375 -5.298 243 H THR 34 H THR 34 4.434 6.664 -2.700 244 HA THR 34 HA THR 34 5.142 8.975 -3.908 245 HB THR 34 HB THR 34 6.563 9.515 -2.000 246 HG1 THR 34 HG1 THR 34 6.415 6.715 -1.505 247 HG21 THR 34 3HG2 THR 34 4.874 8.455 -0.187 248 HG22 THR 34 1HG2 THR 34 3.935 8.210 -1.659 249 HG23 THR 34 2HG2 THR 34 4.463 9.831 -1.210 250 H GLY 35 H GLY 35 7.244 6.159 -3.466 251 HA2 GLY 35 1HA GLY 35 9.640 7.282 -4.371 252 HA3 GLY 35 2HA GLY 35 9.227 5.576 -4.461 253 H GLU 36 H GLU 36 10.692 6.115 -6.445 254 HA GLU 36 HA GLU 36 8.961 6.886 -8.700 255 HB2 GLU 36 1HB GLU 36 11.171 8.153 -8.161 256 HB3 GLU 36 2HB GLU 36 11.954 6.749 -8.873 257 HG2 GLU 36 1HG GLU 36 9.773 8.061 -10.400 258 HG3 GLU 36 2HG GLU 36 11.334 8.873 -10.301 259 H SER 37 H SER 37 8.171 5.177 -9.725 260 HA SER 37 HA SER 37 9.958 2.887 -10.210 261 HB2 SER 37 1HB SER 37 6.991 2.746 -9.622 262 HB3 SER 37 2HB SER 37 8.040 1.375 -9.983 263 HG SER 37 HG SER 37 8.230 3.114 -7.747 264 H GLY 38 H GLY 38 8.915 1.434 -12.004 265 HA2 GLY 38 1HA GLY 38 8.079 1.218 -14.150 266 HA3 GLY 38 2HA GLY 38 7.376 2.821 -13.997 267 HA PRO 39 HA PRO 39 11.524 2.678 -16.458 268 HB2 PRO 39 1HB PRO 39 10.664 2.050 -18.956 269 HB3 PRO 39 2HB PRO 39 11.218 0.836 -17.797 270 HG2 PRO 39 1HG PRO 39 8.424 1.648 -18.499 271 HG3 PRO 39 2HG PRO 39 9.087 0.022 -18.249 272 HD2 PRO 39 1HD PRO 39 7.658 1.321 -16.350 273 HD3 PRO 39 2HD PRO 39 8.969 0.191 -15.953 274 H SER 40 H SER 40 8.329 3.905 -16.886 275 HA SER 40 HA SER 40 9.285 6.505 -17.551 276 HB2 SER 40 1HB SER 40 8.188 4.761 -19.719 277 HB3 SER 40 2HB SER 40 7.802 6.482 -19.740 278 HG SER 40 HG SER 40 10.281 6.567 -19.346 279 H SER 41 H SER 41 7.658 8.098 -17.444 280 HA SER 41 HA SER 41 5.178 7.140 -16.191 281 HB2 SER 41 1HB SER 41 6.660 8.674 -14.872 282 HB3 SER 41 2HB SER 41 6.361 9.923 -16.079 283 HG SER 41 HG SER 41 4.083 9.624 -15.581 284 H GLY 42 H GLY 42 6.235 9.882 -18.225 285 HA2 GLY 42 1HA GLY 42 5.291 10.714 -20.167 286 HA3 GLY 42 2HA GLY 42 4.148 9.379 -20.140 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -6.119 -19.981 6.537 2 HA2 GLY 1 1HA GLY 1 -4.977 -17.972 6.146 3 HA3 GLY 1 2HA GLY 1 -5.000 -18.320 4.423 4 H SER 2 H SER 2 -6.371 -16.510 6.907 5 HA SER 2 HA SER 2 -8.680 -15.794 5.223 6 HB2 SER 2 1HB SER 2 -9.250 -16.697 7.468 7 HB3 SER 2 2HB SER 2 -8.350 -15.371 8.203 8 HG SER 2 HG SER 2 -10.111 -14.431 6.393 9 H SER 3 H SER 3 -8.423 -13.961 4.150 10 HA SER 3 HA SER 3 -7.060 -11.722 5.481 11 HB2 SER 3 1HB SER 3 -6.706 -12.473 2.569 12 HB3 SER 3 2HB SER 3 -5.941 -11.119 3.401 13 HG SER 3 HG SER 3 -5.278 -13.100 4.859 14 H GLY 4 H GLY 4 -7.408 -9.666 3.964 15 HA2 GLY 4 1HA GLY 4 -9.072 -8.701 2.398 16 HA3 GLY 4 2HA GLY 4 -10.281 -9.630 3.271 17 H SER 5 H SER 5 -10.870 -7.084 3.047 18 HA SER 5 HA SER 5 -10.295 -5.983 5.714 19 HB2 SER 5 1HB SER 5 -8.993 -4.732 4.034 20 HB3 SER 5 2HB SER 5 -10.478 -4.384 3.148 21 HG SER 5 HG SER 5 -10.242 -2.637 4.398 22 H SER 6 H SER 6 -12.259 -6.726 6.513 23 HA SER 6 HA SER 6 -14.676 -5.595 5.270 24 HB2 SER 6 1HB SER 6 -14.377 -8.155 5.666 25 HB3 SER 6 2HB SER 6 -14.737 -7.764 7.348 26 HG SER 6 HG SER 6 -16.709 -8.053 6.581 27 H GLY 7 H GLY 7 -14.234 -3.535 6.286 28 HA2 GLY 7 1HA GLY 7 -15.598 -3.265 8.781 29 HA3 GLY 7 2HA GLY 7 -13.867 -3.031 8.969 30 H GLN 8 H GLN 8 -14.356 -0.860 9.631 31 HA GLN 8 HA GLN 8 -15.187 0.910 7.435 32 HB2 GLN 8 1HB GLN 8 -15.783 2.540 9.088 33 HB3 GLN 8 2HB GLN 8 -16.491 1.003 9.566 34 HG2 GLN 8 1HG GLN 8 -14.651 0.667 11.154 35 HG3 GLN 8 2HG GLN 8 -13.990 2.235 10.697 36 HE21 GLN 8 1HE2 GLN 8 -14.706 1.541 13.309 37 HE22 GLN 8 2HE2 GLN 8 -16.031 2.537 13.796 38 H LYS 9 H LYS 9 -13.717 2.147 6.481 39 HA LYS 9 HA LYS 9 -11.408 3.112 7.957 40 HB2 LYS 9 1HB LYS 9 -11.097 1.473 5.435 41 HB3 LYS 9 2HB LYS 9 -9.800 2.305 6.284 42 HG2 LYS 9 1HG LYS 9 -9.968 0.849 8.147 43 HG3 LYS 9 2HG LYS 9 -11.477 0.155 7.551 44 HD2 LYS 9 1HD LYS 9 -10.306 -0.825 5.661 45 HD3 LYS 9 2HD LYS 9 -8.796 -0.076 6.183 46 HE2 LYS 9 1HE LYS 9 -10.330 -1.935 7.971 47 HE3 LYS 9 2HE LYS 9 -9.193 -2.544 6.770 48 HZ1 LYS 9 3HZ LYS 9 -7.530 -0.989 7.834 49 HZ2 LYS 9 1HZ LYS 9 -7.981 -2.341 8.747 50 HZ3 LYS 9 2HZ LYS 9 -8.629 -0.822 9.109 51 HA PRO 10 HA PRO 10 -12.885 6.453 5.310 52 HB2 PRO 10 1HB PRO 10 -11.621 8.409 6.706 53 HB3 PRO 10 2HB PRO 10 -13.156 7.700 7.221 54 HG2 PRO 10 1HG PRO 10 -10.380 7.098 8.165 55 HG3 PRO 10 2HG PRO 10 -11.866 7.292 9.113 56 HD2 PRO 10 1HD PRO 10 -10.843 4.864 8.489 57 HD3 PRO 10 2HD PRO 10 -12.587 5.151 8.655 58 H TYR 11 H TYR 11 -9.554 6.050 6.478 59 HA TYR 11 HA TYR 11 -8.402 7.626 4.392 60 HB2 TYR 11 1HB TYR 11 -7.008 5.577 6.119 61 HB3 TYR 11 2HB TYR 11 -6.275 6.933 5.270 62 HD1 TYR 11 HD1 TYR 11 -8.393 5.972 8.128 63 HD2 TYR 11 HD2 TYR 11 -6.303 9.138 6.202 64 HE1 TYR 11 HE1 TYR 11 -8.673 7.369 10.133 65 HE2 TYR 11 HE2 TYR 11 -6.575 10.543 8.202 66 HH TYR 11 HH TYR 11 -7.184 10.563 10.369 67 H VAL 12 H VAL 12 -8.752 6.938 2.357 68 HA VAL 12 HA VAL 12 -8.083 4.138 1.723 69 HB VAL 12 HB VAL 12 -9.914 6.010 0.215 70 HG11 VAL 12 1HG1 VAL 12 -10.452 3.659 -0.869 71 HG12 VAL 12 2HG1 VAL 12 -9.148 4.681 -1.477 72 HG13 VAL 12 3HG1 VAL 12 -8.783 3.332 -0.401 73 HG21 VAL 12 3HG2 VAL 12 -10.758 5.095 2.405 74 HG22 VAL 12 1HG2 VAL 12 -11.726 4.683 0.989 75 HG23 VAL 12 2HG2 VAL 12 -10.637 3.487 1.692 76 H CYS 13 H CYS 13 -6.540 3.722 0.242 77 HA CYS 13 HA CYS 13 -4.836 5.868 -0.597 78 HB2 CYS 13 1HB CYS 13 -4.223 3.406 0.031 79 HB3 CYS 13 2HB CYS 13 -4.610 3.070 -1.654 80 H ASN 14 H ASN 14 -5.100 7.069 -2.349 81 HA ASN 14 HA ASN 14 -7.023 6.363 -4.365 82 HB2 ASN 14 1HB ASN 14 -5.125 8.705 -4.118 83 HB3 ASN 14 2HB ASN 14 -6.318 8.534 -5.403 84 HD21 ASN 14 1HD2 ASN 14 -5.963 10.493 -3.173 85 HD22 ASN 14 2HD2 ASN 14 -7.496 10.532 -2.377 86 H GLU 15 H GLU 15 -3.934 5.395 -3.858 87 HA GLU 15 HA GLU 15 -3.083 5.448 -6.642 88 HB2 GLU 15 1HB GLU 15 -1.785 4.652 -4.058 89 HB3 GLU 15 2HB GLU 15 -1.103 4.118 -5.588 90 HG2 GLU 15 1HG GLU 15 0.074 6.056 -5.081 91 HG3 GLU 15 2HG GLU 15 -1.128 6.577 -6.261 92 H CYS 16 H CYS 16 -3.825 3.047 -4.129 93 HA CYS 16 HA CYS 16 -4.214 1.059 -6.271 94 HB2 CYS 16 1HB CYS 16 -3.649 -0.671 -4.590 95 HB3 CYS 16 2HB CYS 16 -2.318 0.443 -4.885 96 H GLY 17 H GLY 17 -5.404 2.360 -3.225 97 HA2 GLY 17 1HA GLY 17 -7.820 2.618 -3.004 98 HA3 GLY 17 2HA GLY 17 -7.992 1.055 -3.789 99 H LYS 18 H LYS 18 -5.438 1.275 -1.535 100 HA LYS 18 HA LYS 18 -6.700 -0.646 0.186 101 HB2 LYS 18 1HB LYS 18 -4.150 -0.281 -0.463 102 HB3 LYS 18 2HB LYS 18 -4.176 0.735 0.973 103 HG2 LYS 18 1HG LYS 18 -4.473 -1.026 2.388 104 HG3 LYS 18 2HG LYS 18 -5.316 -1.999 1.179 105 HD2 LYS 18 1HD LYS 18 -3.227 -2.429 0.026 106 HD3 LYS 18 2HD LYS 18 -2.362 -1.377 1.148 107 HE2 LYS 18 1HE LYS 18 -1.931 -3.503 1.978 108 HE3 LYS 18 2HE LYS 18 -3.274 -2.950 2.976 109 HZ1 LYS 18 3HZ LYS 18 -3.165 -5.120 1.083 110 HZ2 LYS 18 1HZ LYS 18 -4.536 -4.142 0.918 111 HZ3 LYS 18 2HZ LYS 18 -4.199 -4.884 2.400 112 H ALA 19 H ALA 19 -7.783 -0.294 2.017 113 HA ALA 19 HA ALA 19 -8.022 2.461 2.974 114 HB1 ALA 19 3HB ALA 19 -9.715 0.549 4.328 115 HB2 ALA 19 1HB ALA 19 -10.152 1.982 3.396 116 HB3 ALA 19 2HB ALA 19 -9.888 0.442 2.576 117 H PHE 20 H PHE 20 -7.674 3.050 5.115 118 HA PHE 20 HA PHE 20 -6.491 1.045 6.894 119 HB2 PHE 20 1HB PHE 20 -5.231 3.751 6.416 120 HB3 PHE 20 2HB PHE 20 -4.611 2.458 7.437 121 HD1 PHE 20 HD1 PHE 20 -5.414 3.307 3.916 122 HD2 PHE 20 HD2 PHE 20 -3.159 0.860 6.570 123 HE1 PHE 20 HE1 PHE 20 -4.130 2.428 2.009 124 HE2 PHE 20 HE2 PHE 20 -1.872 -0.022 4.668 125 HZ PHE 20 HZ PHE 20 -2.356 0.762 2.384 126 H GLY 21 H GLY 21 -7.915 1.053 8.523 127 HA2 GLY 21 1HA GLY 21 -9.689 2.950 9.318 128 HA3 GLY 21 2HA GLY 21 -8.928 1.837 10.445 129 H LEU 22 H LEU 22 -6.265 3.115 9.690 130 HA LEU 22 HA LEU 22 -6.566 5.489 11.409 131 HB2 LEU 22 1HB LEU 22 -4.556 3.316 11.307 132 HB3 LEU 22 2HB LEU 22 -3.961 4.939 11.655 133 HG LEU 22 HG LEU 22 -6.042 3.442 13.249 134 HD11 LEU 22 1HD1 LEU 22 -4.314 2.465 14.240 135 HD12 LEU 22 2HD1 LEU 22 -3.815 4.056 14.816 136 HD13 LEU 22 3HD1 LEU 22 -3.164 3.422 13.304 137 HD21 LEU 22 3HD2 LEU 22 -4.908 6.207 13.434 138 HD22 LEU 22 1HD2 LEU 22 -5.483 5.369 14.875 139 HD23 LEU 22 2HD2 LEU 22 -6.588 5.679 13.536 140 H LYS 23 H LYS 23 -5.206 7.303 10.982 141 HA LYS 23 HA LYS 23 -4.957 7.902 8.217 142 HB2 LYS 23 1HB LYS 23 -5.430 9.553 10.070 143 HB3 LYS 23 2HB LYS 23 -3.733 9.430 10.516 144 HG2 LYS 23 1HG LYS 23 -3.028 10.394 8.479 145 HG3 LYS 23 2HG LYS 23 -4.633 10.231 7.764 146 HD2 LYS 23 1HD LYS 23 -5.509 11.844 9.398 147 HD3 LYS 23 2HD LYS 23 -3.889 12.021 10.078 148 HE2 LYS 23 1HE LYS 23 -3.906 13.805 8.653 149 HE3 LYS 23 2HE LYS 23 -3.278 12.566 7.568 150 HZ1 LYS 23 3HZ LYS 23 -5.949 12.318 7.270 151 HZ2 LYS 23 1HZ LYS 23 -4.936 13.198 6.239 152 HZ3 LYS 23 2HZ LYS 23 -5.777 13.989 7.474 153 H SER 24 H SER 24 -2.410 7.951 10.716 154 HA SER 24 HA SER 24 -0.205 8.090 9.131 155 HB2 SER 24 1HB SER 24 -0.701 6.742 11.759 156 HB3 SER 24 2HB SER 24 0.863 6.540 10.971 157 HG SER 24 HG SER 24 1.285 8.638 11.223 158 H GLN 25 H GLN 25 -2.047 5.177 9.918 159 HA GLN 25 HA GLN 25 -0.424 3.221 8.871 160 HB2 GLN 25 1HB GLN 25 -3.434 3.443 8.805 161 HB3 GLN 25 2HB GLN 25 -2.560 1.986 8.353 162 HG2 GLN 25 1HG GLN 25 -2.555 3.317 11.052 163 HG3 GLN 25 2HG GLN 25 -3.361 1.810 10.619 164 HE21 GLN 25 1HE2 GLN 25 -1.576 1.970 12.717 165 HE22 GLN 25 2HE2 GLN 25 -0.159 1.061 12.329 166 H LEU 26 H LEU 26 -2.594 5.409 7.156 167 HA LEU 26 HA LEU 26 -2.100 4.170 4.600 168 HB2 LEU 26 1HB LEU 26 -4.241 5.140 4.906 169 HB3 LEU 26 2HB LEU 26 -3.545 6.665 5.450 170 HG LEU 26 HG LEU 26 -2.606 6.890 3.089 171 HD11 LEU 26 1HD1 LEU 26 -3.242 5.502 1.419 172 HD12 LEU 26 2HD1 LEU 26 -4.801 5.140 2.159 173 HD13 LEU 26 3HD1 LEU 26 -3.341 4.346 2.748 174 HD21 LEU 26 3HD2 LEU 26 -5.609 6.903 3.312 175 HD22 LEU 26 1HD2 LEU 26 -4.593 7.930 2.300 176 HD23 LEU 26 2HD2 LEU 26 -4.571 8.121 4.054 177 H ILE 27 H ILE 27 -0.997 7.019 6.351 178 HA ILE 27 HA ILE 27 0.368 8.308 4.282 179 HB ILE 27 HB ILE 27 1.310 8.269 7.142 180 HG12 ILE 27 1HG1 ILE 27 -1.006 9.759 5.903 181 HG13 ILE 27 2HG1 ILE 27 -1.044 8.671 7.286 182 HG21 ILE 27 1HG2 ILE 27 2.184 9.617 4.849 183 HG22 ILE 27 2HG2 ILE 27 1.325 10.816 5.814 184 HG23 ILE 27 3HG2 ILE 27 2.666 9.914 6.520 185 HD11 ILE 27 3HD1 ILE 27 -0.827 11.444 7.316 186 HD12 ILE 27 1HD1 ILE 27 -0.645 10.341 8.679 187 HD13 ILE 27 2HD1 ILE 27 0.772 10.847 7.759 188 H ILE 28 H ILE 28 1.304 5.623 6.337 189 HA ILE 28 HA ILE 28 4.043 5.616 5.460 190 HB ILE 28 HB ILE 28 2.529 3.422 6.878 191 HG12 ILE 28 1HG1 ILE 28 4.379 5.318 8.266 192 HG13 ILE 28 2HG1 ILE 28 2.732 5.836 7.926 193 HG21 ILE 28 1HG2 ILE 28 5.478 3.913 7.020 194 HG22 ILE 28 2HG2 ILE 28 4.575 2.437 7.357 195 HG23 ILE 28 3HG2 ILE 28 4.782 2.983 5.693 196 HD11 ILE 28 3HD1 ILE 28 3.409 4.642 10.186 197 HD12 ILE 28 1HD1 ILE 28 1.829 4.414 9.438 198 HD13 ILE 28 2HD1 ILE 28 3.091 3.201 9.221 199 H HIS 29 H HIS 29 1.063 4.090 4.492 200 HA HIS 29 HA HIS 29 2.284 2.084 2.852 201 HB2 HIS 29 1HB HIS 29 0.089 1.630 3.693 202 HB3 HIS 29 2HB HIS 29 -0.541 3.137 3.034 203 HD1 HIS 29 HD1 HIS 29 0.669 -0.263 1.924 204 HD2 HIS 29 HD2 HIS 29 -1.449 2.991 0.444 205 HE1 HIS 29 HE1 HIS 29 -0.256 -1.014 -0.290 206 H GLU 30 H GLU 30 0.564 5.126 2.159 207 HA GLU 30 HA GLU 30 0.699 5.168 -0.573 208 HB2 GLU 30 1HB GLU 30 1.093 7.485 1.327 209 HB3 GLU 30 2HB GLU 30 0.773 7.653 -0.393 210 HG2 GLU 30 1HG GLU 30 -1.389 6.643 -0.149 211 HG3 GLU 30 2HG GLU 30 -1.068 6.273 1.545 212 H ARG 31 H ARG 31 3.305 5.421 1.666 213 HA ARG 31 HA ARG 31 5.217 6.792 0.182 214 HB2 ARG 31 1HB ARG 31 5.580 4.497 2.115 215 HB3 ARG 31 2HB ARG 31 6.888 5.505 1.512 216 HG2 ARG 31 1HG ARG 31 5.909 7.456 2.560 217 HG3 ARG 31 2HG ARG 31 4.532 6.496 3.103 218 HD2 ARG 31 1HD ARG 31 5.948 6.652 4.972 219 HD3 ARG 31 2HD ARG 31 6.224 5.039 4.317 220 HE ARG 31 HE ARG 31 8.096 7.245 4.375 221 HH11 ARG 31 1HH1 ARG 31 7.290 4.135 3.035 222 HH12 ARG 31 2HH1 ARG 31 8.918 3.769 2.569 223 HH21 ARG 31 1HH2 ARG 31 10.243 6.775 3.766 224 HH22 ARG 31 2HH2 ARG 31 10.597 5.270 2.985 225 H ILE 32 H ILE 32 4.193 3.430 0.023 226 HA ILE 32 HA ILE 32 6.207 2.335 -1.520 227 HB ILE 32 HB ILE 32 4.700 0.629 -2.168 228 HG12 ILE 32 1HG1 ILE 32 2.396 2.441 -1.424 229 HG13 ILE 32 2HG1 ILE 32 2.962 2.197 -3.073 230 HG21 ILE 32 1HG2 ILE 32 3.168 0.851 0.174 231 HG22 ILE 32 2HG2 ILE 32 4.679 -0.031 -0.049 232 HG23 ILE 32 3HG2 ILE 32 4.708 1.640 0.514 233 HD11 ILE 32 3HD1 ILE 32 2.406 -0.158 -2.934 234 HD12 ILE 32 1HD1 ILE 32 1.888 0.049 -1.261 235 HD13 ILE 32 2HD1 ILE 32 1.001 0.841 -2.563 236 H HIS 33 H HIS 33 3.703 4.561 -2.432 237 HA HIS 33 HA HIS 33 4.252 4.201 -5.277 238 HB2 HIS 33 1HB HIS 33 2.300 6.097 -3.959 239 HB3 HIS 33 2HB HIS 33 2.365 5.664 -5.665 240 HD1 HIS 33 HD1 HIS 33 2.107 2.850 -5.951 241 HD2 HIS 33 HD2 HIS 33 0.360 4.733 -2.686 242 HE1 HIS 33 HE1 HIS 33 0.333 1.267 -5.132 243 H THR 34 H THR 34 4.503 6.660 -2.747 244 HA THR 34 HA THR 34 5.267 8.886 -4.083 245 HB THR 34 HB THR 34 6.642 9.530 -2.180 246 HG1 THR 34 HG1 THR 34 7.560 7.293 -2.002 247 HG21 THR 34 3HG2 THR 34 4.223 7.935 -1.325 248 HG22 THR 34 1HG2 THR 34 4.213 9.602 -1.898 249 HG23 THR 34 2HG2 THR 34 5.011 9.197 -0.378 250 H GLY 35 H GLY 35 7.056 5.920 -3.842 251 HA2 GLY 35 1HA GLY 35 8.647 5.539 -5.689 252 HA3 GLY 35 2HA GLY 35 9.234 7.170 -5.401 253 H GLU 36 H GLU 36 9.105 3.901 -4.119 254 HA GLU 36 HA GLU 36 11.374 4.571 -2.362 255 HB2 GLU 36 1HB GLU 36 9.267 3.842 -1.210 256 HB3 GLU 36 2HB GLU 36 9.430 2.286 -2.011 257 HG2 GLU 36 1HG GLU 36 10.348 1.890 0.065 258 HG3 GLU 36 2HG GLU 36 11.766 2.222 -0.928 259 H SER 37 H SER 37 9.961 1.913 -4.265 260 HA SER 37 HA SER 37 12.535 0.579 -4.408 261 HB2 SER 37 1HB SER 37 9.728 -0.115 -5.137 262 HB3 SER 37 2HB SER 37 11.028 -0.942 -5.996 263 HG SER 37 HG SER 37 10.867 -0.779 -3.170 264 H GLY 38 H GLY 38 13.685 2.202 -5.589 265 HA2 GLY 38 1HA GLY 38 13.163 2.028 -8.479 266 HA3 GLY 38 2HA GLY 38 13.405 3.603 -7.739 267 HA PRO 39 HA PRO 39 17.558 2.476 -9.196 268 HB2 PRO 39 1HB PRO 39 18.399 5.047 -9.425 269 HB3 PRO 39 2HB PRO 39 17.448 4.233 -10.673 270 HG2 PRO 39 1HG PRO 39 16.547 6.136 -8.545 271 HG3 PRO 39 2HG PRO 39 16.082 6.068 -10.255 272 HD2 PRO 39 1HD PRO 39 14.521 5.072 -8.279 273 HD3 PRO 39 2HD PRO 39 14.572 4.361 -9.906 274 H SER 40 H SER 40 17.787 1.648 -6.948 275 HA SER 40 HA SER 40 19.188 3.574 -5.214 276 HB2 SER 40 1HB SER 40 17.484 1.179 -4.578 277 HB3 SER 40 2HB SER 40 18.667 1.776 -3.414 278 HG SER 40 HG SER 40 17.570 3.660 -3.248 279 H SER 41 H SER 41 21.116 2.942 -4.207 280 HA SER 41 HA SER 41 22.687 1.080 -5.749 281 HB2 SER 41 1HB SER 41 24.562 1.842 -4.351 282 HB3 SER 41 2HB SER 41 23.658 3.212 -4.998 283 HG SER 41 HG SER 41 22.475 2.834 -2.800 284 H GLY 42 H GLY 42 20.793 0.938 -2.929 285 HA2 GLY 42 1HA GLY 42 20.840 -1.732 -2.507 286 HA3 GLY 42 2HA GLY 42 22.277 -1.191 -1.654
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