NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
583020 | 2mop | 19947 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 -5.646 15.885 19.028 2 H2 SER 1 HT2 SER 1 -4.876 15.564 20.528 3 H3 SER 1 HT3 SER 1 -6.013 14.449 19.888 4 HA SER 1 HA SER 1 -3.747 13.717 19.622 5 HB2 SER 1 HB2 SER 1 -5.404 14.396 17.187 6 HB3 SER 1 HB1 SER 1 -3.977 13.363 17.107 7 HG SER 1 HG SER 1 -6.484 12.781 17.967 8 HA PRO 2 HA PRO 2 -0.464 16.478 18.636 9 HB2 PRO 2 HB2 PRO 2 0.478 14.485 16.643 10 HB3 PRO 2 HB1 PRO 2 1.335 15.197 18.013 11 HG2 PRO 2 HG2 PRO 2 0.457 12.682 18.110 12 HG3 PRO 2 HG1 PRO 2 0.390 13.732 19.538 13 HD2 PRO 2 HD2 PRO 2 -1.804 12.902 17.688 14 HD3 PRO 2 HD1 PRO 2 -1.840 13.140 19.447 15 HA PRO 3 HA PRO 3 -1.286 18.657 14.881 16 HB2 PRO 3 HB2 PRO 3 1.152 19.471 14.033 17 HB3 PRO 3 HB1 PRO 3 0.360 20.157 15.456 18 HG2 PRO 3 HG2 PRO 3 2.495 18.065 15.301 19 HG3 PRO 3 HG1 PRO 3 2.356 19.442 16.409 20 HD2 PRO 3 HD2 PRO 3 1.676 16.918 17.121 21 HD3 PRO 3 HD1 PRO 3 0.859 18.350 17.778 22 H VAL 4 HN VAL 4 -1.855 18.039 12.962 23 HA VAL 4 HA VAL 4 -0.956 15.684 11.773 24 HB VAL 4 HB VAL 4 -2.213 17.644 9.982 25 HG11 VAL 4 HG11 VAL 4 -2.264 15.478 9.200 26 HG12 VAL 4 HG12 VAL 4 -3.870 15.643 9.902 27 HG13 VAL 4 HG13 VAL 4 -2.602 14.798 10.788 28 HG21 VAL 4 HG21 VAL 4 -3.391 18.508 11.790 29 HG22 VAL 4 HG22 VAL 4 -3.477 16.946 12.605 30 HG23 VAL 4 HG23 VAL 4 -4.465 17.251 11.177 31 H CYS 5 HN CYS 5 1.272 15.810 11.530 32 HA CYS 5 HA CYS 5 2.580 17.986 10.258 33 HB2 CYS 5 HB2 CYS 5 4.123 15.589 9.889 34 HB3 CYS 5 HB1 CYS 5 4.441 16.943 10.956 35 H GLY 6 HN GLY 6 1.743 18.515 8.331 36 HA2 GLY 6 HA2 GLY 6 1.986 18.352 5.972 37 HA3 GLY 6 HA1 GLY 6 2.163 16.610 6.138 38 H ASN 7 HN ASN 7 -0.348 17.985 8.004 39 HA ASN 7 HA ASN 7 -2.613 17.861 7.925 40 HB2 ASN 7 HB2 ASN 7 -1.871 18.446 5.100 41 HB3 ASN 7 HB1 ASN 7 -3.509 17.858 5.380 42 HD21 ASN 7 HD21 ASN 7 -3.930 20.056 4.489 43 HD22 ASN 7 HD22 ASN 7 -4.038 21.364 5.613 44 H LYS 8 HN LYS 8 -4.077 16.233 8.059 45 HA LYS 8 HA LYS 8 -3.364 13.604 7.875 46 HB2 LYS 8 HB2 LYS 8 -5.460 14.626 8.925 47 HB3 LYS 8 HB1 LYS 8 -6.186 14.512 7.327 48 HG2 LYS 8 HG2 LYS 8 -4.951 12.092 8.558 49 HG3 LYS 8 HG1 LYS 8 -6.553 12.622 9.075 50 HD2 LYS 8 HD2 LYS 8 -6.869 12.747 6.409 51 HD3 LYS 8 HD1 LYS 8 -5.673 11.454 6.508 52 HE2 LYS 8 HE2 LYS 8 -7.331 10.614 8.415 53 HE3 LYS 8 HE1 LYS 8 -8.487 11.523 7.442 54 HZ1 LYS 8 HZ1 LYS 8 -6.719 9.734 5.986 55 HZ2 LYS 8 HZ2 LYS 8 -8.365 10.051 5.761 56 HZ3 LYS 8 HZ3 LYS 8 -7.869 8.988 6.979 57 H ILE 9 HN ILE 9 -2.443 12.722 6.105 58 HA ILE 9 HA ILE 9 -2.837 13.417 3.474 59 HB ILE 9 HB ILE 9 -2.267 11.014 2.852 60 HG12 ILE 9 HG12 ILE 9 -1.128 9.870 4.895 61 HG13 ILE 9 HG11 ILE 9 -2.261 10.828 5.844 62 HG21 ILE 9 HG21 ILE 9 -0.495 12.652 4.625 63 HG22 ILE 9 HG22 ILE 9 -0.613 12.735 2.871 64 HG23 ILE 9 HG23 ILE 9 0.078 11.308 3.646 65 HD11 ILE 9 HD11 ILE 9 -3.836 9.322 5.488 66 HD12 ILE 9 HD12 ILE 9 -2.691 8.358 4.555 67 HD13 ILE 9 HD13 ILE 9 -3.694 9.562 3.747 68 H LEU 10 HN LEU 10 -4.395 13.329 2.080 69 HA LEU 10 HA LEU 10 -6.844 11.967 2.802 70 HB2 LEU 10 HB2 LEU 10 -7.781 13.258 0.858 71 HB3 LEU 10 HB1 LEU 10 -7.154 14.219 2.184 72 HG LEU 10 HG LEU 10 -6.653 14.888 -0.289 73 HD11 LEU 10 HD11 LEU 10 -4.135 15.066 1.147 74 HD12 LEU 10 HD12 LEU 10 -5.529 15.487 2.143 75 HD13 LEU 10 HD13 LEU 10 -5.240 16.338 0.626 76 HD21 LEU 10 HD21 LEU 10 -5.735 12.766 -1.014 77 HD22 LEU 10 HD22 LEU 10 -4.476 12.865 0.215 78 HD23 LEU 10 HD23 LEU 10 -4.511 14.031 -1.108 79 H GLU 11 HN GLU 11 -4.276 10.807 1.476 80 HA GLU 11 HA GLU 11 -5.395 8.598 0.265 81 HB2 GLU 11 HB2 GLU 11 -5.105 8.985 -2.125 82 HB3 GLU 11 HB1 GLU 11 -6.247 10.140 -1.456 83 HG2 GLU 11 HG2 GLU 11 -5.056 11.705 -2.482 84 HG3 GLU 11 HG1 GLU 11 -3.838 11.446 -1.232 85 H GLN 12 HN GLN 12 -3.143 9.194 1.898 86 HA GLN 12 HA GLN 12 -0.979 8.269 0.130 87 HB2 GLN 12 HB2 GLN 12 -0.539 9.876 2.634 88 HB3 GLN 12 HB1 GLN 12 0.639 9.469 1.403 89 HG2 GLN 12 HG2 GLN 12 -1.701 11.336 1.091 90 HG3 GLN 12 HG1 GLN 12 -0.005 11.791 1.242 91 HE21 GLN 12 HE21 GLN 12 -0.249 12.920 -0.741 92 HE22 GLN 12 HE22 GLN 12 -0.200 12.075 -2.247 93 H GLY 13 HN GLY 13 -0.834 8.512 3.647 94 HA2 GLY 13 HA2 GLY 13 -0.749 6.865 5.273 95 HA3 GLY 13 HA1 GLY 13 -1.289 5.703 4.067 96 H GLU 14 HN GLU 14 1.383 7.667 3.255 97 HA GLU 14 HA GLU 14 3.667 6.743 4.211 98 HB2 GLU 14 HB2 GLU 14 2.375 4.533 2.745 99 HB3 GLU 14 HB1 GLU 14 4.062 4.820 2.341 100 HG2 GLU 14 HG2 GLU 14 4.805 4.030 4.288 101 HG3 GLU 14 HG1 GLU 14 3.507 4.787 5.210 102 H ASP 15 HN ASP 15 1.795 7.439 1.427 103 HA ASP 15 HA ASP 15 3.715 7.813 -0.533 104 HB2 ASP 15 HB2 ASP 15 1.011 8.236 -0.311 105 HB3 ASP 15 HB1 ASP 15 1.627 9.879 -0.446 106 H CYS 16 HN CYS 16 2.360 10.306 1.634 107 HA CYS 16 HA CYS 16 4.670 11.460 2.512 108 HB2 CYS 16 HB2 CYS 16 5.592 12.124 0.536 109 HB3 CYS 16 HB1 CYS 16 4.039 12.214 -0.283 110 H ASP 17 HN ASP 17 4.361 13.450 3.582 111 HA ASP 17 HA ASP 17 3.230 14.977 4.812 112 HB2 ASP 17 HB2 ASP 17 1.748 14.899 2.244 113 HB3 ASP 17 HB1 ASP 17 0.912 15.640 3.605 114 H CYS 18 HN CYS 18 2.803 12.128 5.199 115 HA CYS 18 HA CYS 18 0.454 11.007 5.579 116 HB2 CYS 18 HB2 CYS 18 2.209 11.245 8.013 117 HB3 CYS 18 HB1 CYS 18 1.207 9.892 7.516 118 H GLY 19 HN GLY 19 1.497 13.797 7.472 119 HA2 GLY 19 HA2 GLY 19 0.267 15.284 8.731 120 HA3 GLY 19 HA1 GLY 19 -1.155 14.635 7.939 121 H SER 20 HN SER 20 -1.838 12.417 8.748 122 HA SER 20 HA SER 20 -2.582 12.599 11.383 123 HB2 SER 20 HB2 SER 20 -3.434 10.429 11.207 124 HB3 SER 20 HB1 SER 20 -3.441 11.019 9.547 125 HG SER 20 HG SER 20 -2.352 9.250 9.186 126 HA PRO 21 HA PRO 21 1.465 12.226 13.281 127 HB2 PRO 21 HB2 PRO 21 -0.389 12.101 15.622 128 HB3 PRO 21 HB1 PRO 21 1.087 13.050 15.407 129 HG2 PRO 21 HG2 PRO 21 -1.299 14.202 15.173 130 HG3 PRO 21 HG1 PRO 21 0.030 14.640 14.084 131 HD2 PRO 21 HD2 PRO 21 -2.373 12.956 13.558 132 HD3 PRO 21 HD1 PRO 21 -1.501 14.041 12.461 133 H ALA 22 HN ALA 22 -1.305 10.126 13.680 134 HA ALA 22 HA ALA 22 -0.231 8.126 15.279 135 HB1 ALA 22 HB1 ALA 22 -1.742 6.642 13.652 136 HB2 ALA 22 HB2 ALA 22 -2.347 8.239 13.208 137 HB3 ALA 22 HB3 ALA 22 -2.428 7.700 14.885 138 H ASN 23 HN ASN 23 0.520 9.032 12.040 139 HA ASN 23 HA ASN 23 2.234 6.661 11.740 140 HB2 ASN 23 HB2 ASN 23 1.298 8.394 9.462 141 HB3 ASN 23 HB1 ASN 23 1.947 6.758 9.400 142 HD21 ASN 23 HD21 ASN 23 0.460 5.357 8.852 143 HD22 ASN 23 HD22 ASN 23 -1.194 5.370 9.352 144 H CYS 24 HN CYS 24 2.153 10.082 12.020 145 HA CYS 24 HA CYS 24 4.404 10.909 10.628 146 HB2 CYS 24 HB2 CYS 24 2.681 12.292 11.950 147 HB3 CYS 24 HB1 CYS 24 3.694 11.988 13.353 148 H GLN 25 HN GLN 25 6.035 9.379 10.713 149 HA GLN 25 HA GLN 25 8.011 8.518 11.437 150 HB2 GLN 25 HB2 GLN 25 7.718 10.249 13.893 151 HB3 GLN 25 HB1 GLN 25 9.200 9.571 13.233 152 HG2 GLN 25 HG2 GLN 25 7.720 11.282 11.376 153 HG3 GLN 25 HG1 GLN 25 8.316 12.104 12.817 154 HE21 GLN 25 HE21 GLN 25 9.117 12.300 9.984 155 HE22 GLN 25 HE22 GLN 25 10.817 11.990 9.964 156 H ASP 26 HN ASP 26 6.284 6.711 11.695 157 HA ASP 26 HA ASP 26 6.978 5.167 13.920 158 HB2 ASP 26 HB2 ASP 26 5.237 7.047 14.760 159 HB3 ASP 26 HB1 ASP 26 4.102 5.802 14.247 160 H ARG 27 HN ARG 27 3.845 5.628 12.273 161 HA ARG 27 HA ARG 27 3.659 2.817 11.705 162 HB2 ARG 27 HB2 ARG 27 1.787 4.661 12.154 163 HB3 ARG 27 HB1 ARG 27 1.831 4.768 10.399 164 HG2 ARG 27 HG2 ARG 27 1.104 2.577 10.123 165 HG3 ARG 27 HG1 ARG 27 1.545 2.123 11.770 166 HD2 ARG 27 HD2 ARG 27 -0.243 4.049 12.301 167 HD3 ARG 27 HD1 ARG 27 -0.873 3.488 10.753 168 HE ARG 27 HE ARG 27 -1.556 1.557 11.773 169 HH11 ARG 27 HH11 ARG 27 0.729 3.178 13.854 170 HH12 ARG 27 HH12 ARG 27 0.470 2.102 15.185 171 HH21 ARG 27 HH21 ARG 27 -1.899 0.141 13.523 172 HH22 ARG 27 HH22 ARG 27 -1.021 0.378 14.998 173 H CYS 28 HN CYS 28 5.879 3.227 10.503 174 HA CYS 28 HA CYS 28 7.063 3.327 8.549 175 HB2 CYS 28 HB2 CYS 28 4.597 2.221 7.233 176 HB3 CYS 28 HB1 CYS 28 6.282 1.874 6.868 177 H CYS 29 HN CYS 29 5.403 5.721 9.139 178 HA CYS 29 HA CYS 29 5.244 6.761 6.386 179 HB2 CYS 29 HB2 CYS 29 3.005 6.191 7.686 180 HB3 CYS 29 HB1 CYS 29 3.316 7.751 8.437 181 H ASN 30 HN ASN 30 5.857 8.832 6.056 182 HA ASN 30 HA ASN 30 7.048 10.234 8.355 183 HB2 ASN 30 HB2 ASN 30 7.915 10.011 5.491 184 HB3 ASN 30 HB1 ASN 30 8.391 11.387 6.461 185 HD21 ASN 30 HD21 ASN 30 8.741 10.158 8.913 186 HD22 ASN 30 HD22 ASN 30 10.086 9.081 8.816 187 H ALA 31 HN ALA 31 5.380 11.461 8.945 188 HA ALA 31 HA ALA 31 3.891 13.041 7.037 189 HB1 ALA 31 HB1 ALA 31 3.355 14.008 9.606 190 HB2 ALA 31 HB2 ALA 31 3.594 12.279 9.804 191 HB3 ALA 31 HB3 ALA 31 2.385 12.873 8.683 192 H ALA 32 HN ALA 32 6.702 13.260 8.952 193 HA ALA 32 HA ALA 32 6.884 16.174 8.603 194 HB1 ALA 32 HB1 ALA 32 7.221 15.334 10.879 195 HB2 ALA 32 HB2 ALA 32 8.689 16.077 10.243 196 HB3 ALA 32 HB3 ALA 32 8.546 14.319 10.306 197 H THR 33 HN THR 33 7.774 13.348 7.094 198 HA THR 33 HA THR 33 10.141 14.613 5.903 199 HB THR 33 HB THR 33 10.146 11.742 5.615 200 HG1 THR 33 HG1 THR 33 10.606 11.469 7.954 201 HG21 THR 33 HG21 THR 33 12.331 11.878 6.305 202 HG22 THR 33 HG22 THR 33 12.030 13.294 7.312 203 HG23 THR 33 HG23 THR 33 12.063 13.452 5.555 204 H CYS 34 HN CYS 34 7.053 13.979 5.250 205 HA CYS 34 HA CYS 34 5.813 13.594 3.389 206 HB2 CYS 34 HB2 CYS 34 6.670 15.715 2.765 207 HB3 CYS 34 HB1 CYS 34 8.218 15.031 2.288 208 H LYS 35 HN LYS 35 6.855 11.211 4.045 209 HA LYS 35 HA LYS 35 6.817 9.812 1.618 210 HB2 LYS 35 HB2 LYS 35 9.401 10.833 2.333 211 HB3 LYS 35 HB1 LYS 35 9.427 9.076 2.375 212 HG2 LYS 35 HG2 LYS 35 8.072 10.115 0.026 213 HG3 LYS 35 HG1 LYS 35 9.748 10.655 0.147 214 HD2 LYS 35 HD2 LYS 35 9.414 7.830 0.775 215 HD3 LYS 35 HD1 LYS 35 8.887 8.236 -0.859 216 HE2 LYS 35 HE2 LYS 35 10.986 8.834 -1.535 217 HE3 LYS 35 HE1 LYS 35 11.477 9.343 0.080 218 HZ1 LYS 35 HZ1 LYS 35 12.631 7.430 -0.004 219 HZ2 LYS 35 HZ2 LYS 35 11.622 6.722 -1.161 220 HZ3 LYS 35 HZ3 LYS 35 11.161 6.735 0.466 221 H LEU 36 HN LEU 36 7.870 7.508 1.965 222 HA LEU 36 HA LEU 36 6.647 6.485 4.405 223 HB2 LEU 36 HB2 LEU 36 7.031 4.264 3.407 224 HB3 LEU 36 HB1 LEU 36 6.106 5.321 2.358 225 HG LEU 36 HG LEU 36 9.016 5.328 1.885 226 HD11 LEU 36 HD11 LEU 36 8.889 3.206 0.595 227 HD12 LEU 36 HD12 LEU 36 7.328 2.890 1.353 228 HD13 LEU 36 HD13 LEU 36 8.785 2.988 2.342 229 HD21 LEU 36 HD21 LEU 36 8.389 5.916 -0.196 230 HD22 LEU 36 HD22 LEU 36 6.850 6.284 0.584 231 HD23 LEU 36 HD23 LEU 36 7.073 4.743 -0.246 232 H THR 37 HN THR 37 7.819 4.995 5.818 233 HA THR 37 HA THR 37 10.652 5.752 5.986 234 HB THR 37 HB THR 37 10.374 4.809 8.369 235 HG1 THR 37 HG1 THR 37 8.204 4.875 9.085 236 HG21 THR 37 HG21 THR 37 10.465 7.233 7.792 237 HG22 THR 37 HG22 THR 37 9.536 6.841 9.238 238 HG23 THR 37 HG23 THR 37 8.703 7.213 7.729 239 HA PRO 38 HA PRO 38 12.619 1.891 5.281 240 HB2 PRO 38 HB2 PRO 38 13.192 1.830 8.222 241 HB3 PRO 38 HB1 PRO 38 14.275 1.503 6.862 242 HG2 PRO 38 HG2 PRO 38 14.367 3.841 8.123 243 HG3 PRO 38 HG1 PRO 38 14.537 3.755 6.360 244 HD2 PRO 38 HD2 PRO 38 12.247 4.699 7.995 245 HD3 PRO 38 HD1 PRO 38 12.754 5.193 6.369 246 H GLY 39 HN GLY 39 12.120 -0.261 5.297 247 HA2 GLY 39 HA2 GLY 39 11.175 -2.250 6.149 248 HA3 GLY 39 HA1 GLY 39 10.331 -1.299 7.365 249 H SER 40 HN SER 40 9.506 0.609 5.162 250 HA SER 40 HA SER 40 7.080 -0.808 4.450 251 HB2 SER 40 HB2 SER 40 7.523 1.767 5.211 252 HB3 SER 40 HB1 SER 40 7.493 1.950 3.457 253 HG SER 40 HG SER 40 5.436 1.252 3.402 254 H GLN 41 HN GLN 41 7.271 -2.121 2.730 255 HA GLN 41 HA GLN 41 9.069 -1.620 0.569 256 HB2 GLN 41 HB2 GLN 41 7.060 -3.694 1.255 257 HB3 GLN 41 HB1 GLN 41 7.433 -3.502 -0.453 258 HG2 GLN 41 HG2 GLN 41 9.780 -3.621 1.294 259 HG3 GLN 41 HG1 GLN 41 8.798 -5.085 1.279 260 HE21 GLN 41 HE21 GLN 41 9.542 -2.726 -1.255 261 HE22 GLN 41 HE22 GLN 41 10.237 -3.864 -2.354 262 H CYS 42 HN CYS 42 5.732 -0.911 1.214 263 HA CYS 42 HA CYS 42 5.614 0.751 -1.154 264 HB2 CYS 42 HB2 CYS 42 4.837 -1.414 -1.999 265 HB3 CYS 42 HB1 CYS 42 3.631 -1.490 -0.718 266 H ASN 43 HN ASN 43 4.285 2.478 -0.913 267 HA ASN 43 HA ASN 43 3.389 3.090 1.714 268 HB2 ASN 43 HB2 ASN 43 2.484 5.167 0.640 269 HB3 ASN 43 HB1 ASN 43 4.190 4.879 0.309 270 HD21 ASN 43 HD21 ASN 43 2.076 6.380 -1.148 271 HD22 ASN 43 HD22 ASN 43 2.111 5.751 -2.756 272 H TYR 44 HN TYR 44 1.828 2.116 -1.264 273 HA TYR 44 HA TYR 44 -0.357 0.890 -0.031 274 HB2 TYR 44 HB2 TYR 44 -2.171 2.422 -0.447 275 HB3 TYR 44 HB1 TYR 44 -0.957 3.269 0.508 276 HD1 TYR 44 HD1 TYR 44 -2.076 2.759 -3.006 277 HD2 TYR 44 HD2 TYR 44 -0.146 5.326 -0.217 278 HE1 TYR 44 HE1 TYR 44 -1.976 4.517 -4.711 279 HE2 TYR 44 HE2 TYR 44 -0.039 7.102 -1.905 280 HH TYR 44 HH TYR 44 -1.553 7.620 -4.134 281 H GLY 45 HN GLY 45 -2.108 0.367 -1.681 282 HA2 GLY 45 HA2 GLY 45 -2.394 0.653 -4.233 283 HA3 GLY 45 HA1 GLY 45 -0.780 -0.039 -4.272 284 H GLU 46 HN GLU 46 -2.116 -1.530 -5.684 285 HA GLU 46 HA GLU 46 -4.002 -3.306 -4.654 286 HB2 GLU 46 HB2 GLU 46 -2.055 -3.441 -6.926 287 HB3 GLU 46 HB1 GLU 46 -3.025 -4.848 -6.512 288 HG2 GLU 46 HG2 GLU 46 -4.965 -3.906 -7.219 289 HG3 GLU 46 HG1 GLU 46 -4.436 -2.266 -6.841 290 H CYS 47 HN CYS 47 -0.470 -3.633 -4.842 291 HA CYS 47 HA CYS 47 -0.646 -6.064 -3.196 292 HB2 CYS 47 HB2 CYS 47 1.302 -5.024 -5.186 293 HB3 CYS 47 HB1 CYS 47 1.938 -5.999 -3.868 294 H CYS 48 HN CYS 48 -0.942 -3.357 -2.061 295 HA CYS 48 HA CYS 48 1.417 -3.425 -0.296 296 HB2 CYS 48 HB2 CYS 48 -0.071 -0.883 -0.866 297 HB3 CYS 48 HB1 CYS 48 1.568 -1.093 -0.257 298 H ASP 49 HN ASP 49 0.943 -3.906 1.714 299 HA ASP 49 HA ASP 49 -1.516 -2.887 2.915 300 HB2 ASP 49 HB2 ASP 49 -1.974 -5.195 2.060 301 HB3 ASP 49 HB1 ASP 49 -0.711 -5.793 3.132 302 H GLN 50 HN GLN 50 -1.106 -2.012 4.811 303 HA GLN 50 HA GLN 50 -0.182 -1.520 6.817 304 HB2 GLN 50 HB2 GLN 50 0.393 -4.351 6.477 305 HB3 GLN 50 HB1 GLN 50 1.627 -3.541 7.432 306 HG2 GLN 50 HG2 GLN 50 -0.569 -2.543 8.599 307 HG3 GLN 50 HG1 GLN 50 -1.198 -4.097 8.056 308 HE21 GLN 50 HE21 GLN 50 -1.326 -4.089 10.549 309 HE22 GLN 50 HE22 GLN 50 0.004 -4.840 11.357 310 H CYS 51 HN CYS 51 2.615 -3.366 5.714 311 HA CYS 51 HA CYS 51 4.023 -0.982 4.862 312 HB2 CYS 51 HB2 CYS 51 5.063 -2.548 7.232 313 HB3 CYS 51 HB1 CYS 51 5.829 -1.155 6.479 314 H ARG 52 HN ARG 52 3.253 -3.749 3.876 315 HA ARG 52 HA ARG 52 5.805 -4.316 2.633 316 HB2 ARG 52 HB2 ARG 52 5.320 -5.694 4.906 317 HB3 ARG 52 HB1 ARG 52 4.540 -6.750 3.737 318 HG2 ARG 52 HG2 ARG 52 6.586 -7.652 3.577 319 HG3 ARG 52 HG1 ARG 52 6.882 -6.298 2.484 320 HD2 ARG 52 HD2 ARG 52 7.714 -4.994 4.436 321 HD3 ARG 52 HD1 ARG 52 7.555 -6.449 5.419 322 HE ARG 52 HE ARG 52 9.658 -5.836 3.597 323 HH11 ARG 52 HH11 ARG 52 7.807 -8.475 4.936 324 HH12 ARG 52 HH12 ARG 52 9.062 -9.643 4.693 325 HH21 ARG 52 HH21 ARG 52 11.310 -7.371 3.277 326 HH22 ARG 52 HH22 ARG 52 11.051 -9.016 3.752 327 H PHE 53 HN PHE 53 5.583 -6.109 0.978 328 HA PHE 53 HA PHE 53 3.306 -5.559 -0.646 329 HB2 PHE 53 HB2 PHE 53 5.623 -7.467 -0.930 330 HB3 PHE 53 HB1 PHE 53 4.304 -7.427 -2.098 331 HD1 PHE 53 HD1 PHE 53 3.757 -4.556 -2.265 332 HD2 PHE 53 HD2 PHE 53 7.458 -6.640 -2.088 333 HE1 PHE 53 HE1 PHE 53 4.838 -2.714 -3.459 334 HE2 PHE 53 HE2 PHE 53 8.557 -4.791 -3.284 335 HZ PHE 53 HZ PHE 53 7.247 -2.821 -3.973 336 H LYS 54 HN LYS 54 1.590 -6.870 -1.200 337 HA LYS 54 HA LYS 54 0.629 -8.617 0.804 338 HB2 LYS 54 HB2 LYS 54 -0.255 -7.949 -1.986 339 HB3 LYS 54 HB1 LYS 54 -1.040 -9.247 -1.097 340 HG2 LYS 54 HG2 LYS 54 -0.775 -6.463 -0.003 341 HG3 LYS 54 HG1 LYS 54 -2.143 -6.983 -0.988 342 HD2 LYS 54 HD2 LYS 54 -2.044 -8.978 0.843 343 HD3 LYS 54 HD1 LYS 54 -1.469 -7.615 1.806 344 HE2 LYS 54 HE2 LYS 54 -3.453 -6.459 1.597 345 HE3 LYS 54 HE1 LYS 54 -3.901 -7.289 0.108 346 HZ1 LYS 54 HZ1 LYS 54 -3.935 -9.334 1.759 347 HZ2 LYS 54 HZ2 LYS 54 -5.284 -8.336 1.543 348 HZ3 LYS 54 HZ3 LYS 54 -4.276 -8.115 2.882 349 H LYS 55 HN LYS 55 1.923 -10.354 1.209 350 HA LYS 55 HA LYS 55 3.542 -11.901 -0.143 351 HB2 LYS 55 HB2 LYS 55 2.699 -12.413 2.136 352 HB3 LYS 55 HB1 LYS 55 1.257 -13.115 1.416 353 HG2 LYS 55 HG2 LYS 55 2.455 -14.907 0.494 354 HG3 LYS 55 HG1 LYS 55 4.007 -14.105 0.744 355 HD2 LYS 55 HD2 LYS 55 2.310 -14.668 3.122 356 HD3 LYS 55 HD1 LYS 55 3.157 -16.017 2.361 357 HE2 LYS 55 HE2 LYS 55 4.842 -15.399 3.721 358 HE3 LYS 55 HE1 LYS 55 5.142 -14.189 2.474 359 HZ1 LYS 55 HZ1 LYS 55 3.342 -12.922 3.961 360 HZ2 LYS 55 HZ2 LYS 55 5.008 -12.802 4.224 361 HZ3 LYS 55 HZ3 LYS 55 4.080 -13.864 5.158 362 H ALA 56 HN ALA 56 3.670 -13.048 -1.958 363 HA ALA 56 HA ALA 56 1.892 -13.044 -3.991 364 HB1 ALA 56 HB1 ALA 56 4.015 -14.997 -3.246 365 HB2 ALA 56 HB2 ALA 56 3.940 -13.877 -4.607 366 HB3 ALA 56 HB3 ALA 56 2.958 -15.344 -4.616 367 H GLY 57 HN GLY 57 -0.021 -13.899 -4.429 368 HA2 GLY 57 HA2 GLY 57 -1.416 -15.937 -4.444 369 HA3 GLY 57 HA1 GLY 57 -0.911 -16.194 -2.778 370 H THR 58 HN THR 58 -1.177 -13.031 -2.770 371 HA THR 58 HA THR 58 -3.808 -13.054 -1.594 372 HB THR 58 HB THR 58 -1.830 -10.808 -2.064 373 HG1 THR 58 HG1 THR 58 -1.302 -12.556 -0.541 374 HG21 THR 58 HG21 THR 58 -3.226 -9.330 -1.196 375 HG22 THR 58 HG22 THR 58 -3.707 -10.427 0.099 376 HG23 THR 58 HG23 THR 58 -4.506 -10.515 -1.472 377 H VAL 59 HN VAL 59 -5.487 -13.141 -3.006 378 HA VAL 59 HA VAL 59 -5.416 -12.132 -5.633 379 HB VAL 59 HB VAL 59 -7.033 -13.851 -4.978 380 HG11 VAL 59 HG11 VAL 59 -8.541 -13.659 -3.322 381 HG12 VAL 59 HG12 VAL 59 -8.892 -11.972 -3.697 382 HG13 VAL 59 HG13 VAL 59 -7.465 -12.386 -2.747 383 HG21 VAL 59 HG21 VAL 59 -8.411 -11.332 -5.899 384 HG22 VAL 59 HG22 VAL 59 -8.975 -12.985 -6.144 385 HG23 VAL 59 HG23 VAL 59 -7.498 -12.432 -6.932 386 H CYS 60 HN CYS 60 -5.333 -10.072 -6.240 387 HA CYS 60 HA CYS 60 -6.510 -8.040 -4.474 388 HB2 CYS 60 HB2 CYS 60 -4.703 -7.439 -6.794 389 HB3 CYS 60 HB1 CYS 60 -5.032 -6.453 -5.374 390 H ARG 61 HN ARG 61 -6.783 -9.499 -7.588 391 HA ARG 61 HA ARG 61 -9.191 -7.976 -8.120 392 HB2 ARG 61 HB2 ARG 61 -7.143 -8.074 -10.313 393 HB3 ARG 61 HB1 ARG 61 -8.556 -7.039 -10.170 394 HG2 ARG 61 HG2 ARG 61 -7.442 -5.877 -8.281 395 HG3 ARG 61 HG1 ARG 61 -5.999 -6.842 -8.598 396 HD2 ARG 61 HD2 ARG 61 -7.319 -5.081 -10.655 397 HD3 ARG 61 HD1 ARG 61 -6.003 -4.545 -9.612 398 HE ARG 61 HE ARG 61 -5.529 -6.931 -11.210 399 HH11 ARG 61 HH11 ARG 61 -5.074 -3.484 -10.848 400 HH12 ARG 61 HH12 ARG 61 -3.734 -3.424 -11.941 401 HH21 ARG 61 HH21 ARG 61 -3.770 -6.845 -12.649 402 HH22 ARG 61 HH22 ARG 61 -2.996 -5.328 -12.964 403 H ILE 62 HN ILE 62 -9.916 -8.683 -10.506 404 HA ILE 62 HA ILE 62 -9.307 -11.259 -11.419 405 HB ILE 62 HB ILE 62 -10.310 -12.151 -9.441 406 HG12 ILE 62 HG12 ILE 62 -12.217 -13.414 -10.353 407 HG13 ILE 62 HG11 ILE 62 -12.327 -12.281 -11.695 408 HG21 ILE 62 HG21 ILE 62 -12.941 -10.873 -9.917 409 HG22 ILE 62 HG22 ILE 62 -11.666 -9.897 -9.185 410 HG23 ILE 62 HG23 ILE 62 -12.189 -11.391 -8.407 411 HD11 ILE 62 HD11 ILE 62 -11.176 -13.981 -12.674 412 HD12 ILE 62 HD12 ILE 62 -10.351 -14.432 -11.183 413 HD13 ILE 62 HD13 ILE 62 -9.834 -13.005 -12.080 414 H ALA 63 HN ALA 63 -10.101 -11.475 -13.412 415 HA ALA 63 HA ALA 63 -11.296 -9.344 -14.713 416 HB1 ALA 63 HB1 ALA 63 -11.930 -11.550 -16.277 417 HB2 ALA 63 HB2 ALA 63 -10.461 -12.007 -15.413 418 HB3 ALA 63 HB3 ALA 63 -10.490 -10.540 -16.388 419 H ARG 64 HN ARG 64 -13.127 -12.302 -15.159 420 HA ARG 64 HA ARG 64 -15.394 -11.169 -13.705 421 HB2 ARG 64 HB2 ARG 64 -15.233 -11.551 -16.652 422 HB3 ARG 64 HB1 ARG 64 -16.754 -11.940 -15.862 423 HG2 ARG 64 HG2 ARG 64 -15.333 -9.294 -15.653 424 HG3 ARG 64 HG1 ARG 64 -16.679 -9.643 -16.740 425 HD2 ARG 64 HD2 ARG 64 -17.718 -10.466 -14.387 426 HD3 ARG 64 HD1 ARG 64 -16.659 -9.171 -13.832 427 HE ARG 64 HE ARG 64 -18.016 -8.061 -15.910 428 HH11 ARG 64 HH11 ARG 64 -18.976 -9.689 -12.976 429 HH12 ARG 64 HH12 ARG 64 -20.460 -8.809 -12.825 430 HH21 ARG 64 HH21 ARG 64 -19.966 -6.902 -15.713 431 HH22 ARG 64 HH22 ARG 64 -21.022 -7.227 -14.379 432 H GLY 65 HN GLY 65 -15.081 -12.932 -12.256 433 HA2 GLY 65 HA2 GLY 65 -16.531 -14.957 -11.921 434 HA3 GLY 65 HA1 GLY 65 -15.806 -15.552 -13.409 435 H ASP 66 HN ASP 66 -13.945 -16.648 -13.320 436 HA ASP 66 HA ASP 66 -11.914 -16.350 -11.465 437 HB2 ASP 66 HB2 ASP 66 -12.286 -18.461 -10.099 438 HB3 ASP 66 HB1 ASP 66 -13.328 -17.097 -9.706 439 H TRP 67 HN TRP 67 -10.690 -16.676 -13.273 440 HA TRP 67 HA TRP 67 -10.573 -19.444 -14.283 441 HB2 TRP 67 HB2 TRP 67 -9.323 -17.736 -16.158 442 HB3 TRP 67 HB1 TRP 67 -10.832 -18.619 -16.354 443 HD1 TRP 67 HD1 TRP 67 -9.709 -15.184 -14.877 444 HE1 TRP 67 HE1 TRP 67 -11.560 -13.490 -15.393 445 HE3 TRP 67 HE3 TRP 67 -13.046 -18.295 -17.168 446 HZ2 TRP 67 HZ2 TRP 67 -14.087 -13.458 -16.611 447 HZ3 TRP 67 HZ3 TRP 67 -15.167 -17.349 -17.992 448 HH2 TRP 67 HH2 TRP 67 -15.675 -14.974 -17.719 449 H ASN 68 HN ASN 68 -8.576 -16.551 -14.420 450 HA ASN 68 HA ASN 68 -6.236 -18.126 -13.611 451 HB2 ASN 68 HB2 ASN 68 -6.046 -15.336 -14.689 452 HB3 ASN 68 HB1 ASN 68 -4.899 -16.665 -14.833 453 HD21 ASN 68 HD21 ASN 68 -8.081 -15.559 -15.901 454 HD22 ASN 68 HD22 ASN 68 -8.040 -16.353 -17.434 455 H ASP 69 HN ASP 69 -8.218 -15.362 -12.854 456 HA ASP 69 HA ASP 69 -8.407 -14.048 -11.016 457 HB2 ASP 69 HB2 ASP 69 -7.036 -16.467 -9.922 458 HB3 ASP 69 HB1 ASP 69 -7.219 -15.047 -8.897 459 H ASP 70 HN ASP 70 -7.380 -12.365 -9.979 460 HA ASP 70 HA ASP 70 -4.662 -11.862 -10.883 461 HB2 ASP 70 HB2 ASP 70 -6.540 -10.142 -11.070 462 HB3 ASP 70 HB1 ASP 70 -6.431 -9.985 -9.322 463 H TYR 71 HN TYR 71 -2.952 -12.216 -9.613 464 HA TYR 71 HA TYR 71 -3.380 -12.152 -6.706 465 HB2 TYR 71 HB2 TYR 71 -2.186 -14.326 -8.369 466 HB3 TYR 71 HB1 TYR 71 -1.668 -14.101 -6.698 467 HD1 TYR 71 HD2 TYR 71 -3.430 -14.079 -4.914 468 HD2 TYR 71 HD1 TYR 71 -4.168 -15.459 -8.850 469 HE1 TYR 71 HE2 TYR 71 -5.393 -15.290 -4.092 470 HE2 TYR 71 HE1 TYR 71 -6.151 -16.668 -8.069 471 HH TYR 71 HH TYR 71 -7.029 -17.619 -5.974 472 H CYS 72 HN CYS 72 -1.706 -11.600 -5.416 473 HA CYS 72 HA CYS 72 0.231 -9.839 -6.539 474 HB2 CYS 72 HB2 CYS 72 -0.897 -9.751 -4.213 475 HB3 CYS 72 HB1 CYS 72 0.336 -10.914 -3.735 476 H THR 73 HN THR 73 2.582 -10.039 -6.022 477 HA THR 73 HA THR 73 3.458 -12.842 -6.240 478 HB THR 73 HB THR 73 5.008 -12.298 -7.893 479 HG1 THR 73 HG1 THR 73 6.123 -10.560 -7.615 480 HG21 THR 73 HG21 THR 73 3.173 -10.157 -8.756 481 HG22 THR 73 HG22 THR 73 2.461 -11.746 -8.467 482 HG23 THR 73 HG23 THR 73 3.774 -11.565 -9.632 483 H GLY 74 HN GLY 74 3.401 -10.355 -4.171 484 HA2 GLY 74 HA2 GLY 74 4.636 -9.755 -2.338 485 HA3 GLY 74 HA1 GLY 74 5.348 -11.356 -2.450 486 H LYS 75 HN LYS 75 5.646 -9.022 -5.034 487 HA LYS 75 HA LYS 75 8.302 -8.227 -4.161 488 HB2 LYS 75 HB2 LYS 75 7.876 -9.672 -6.780 489 HB3 LYS 75 HB1 LYS 75 9.389 -8.968 -6.223 490 HG2 LYS 75 HG2 LYS 75 9.136 -10.543 -4.207 491 HG3 LYS 75 HG1 LYS 75 7.956 -11.390 -5.209 492 HD2 LYS 75 HD2 LYS 75 10.001 -11.118 -6.960 493 HD3 LYS 75 HD1 LYS 75 10.887 -11.250 -5.439 494 HE2 LYS 75 HE2 LYS 75 10.690 -13.460 -6.132 495 HE3 LYS 75 HE1 LYS 75 9.364 -13.278 -4.984 496 HZ1 LYS 75 HZ1 LYS 75 7.992 -12.711 -7.058 497 HZ2 LYS 75 HZ2 LYS 75 8.387 -14.332 -6.779 498 HZ3 LYS 75 HZ3 LYS 75 9.250 -13.437 -7.926 499 H SER 76 HN SER 76 5.557 -7.081 -4.975 500 HA SER 76 HA SER 76 6.576 -4.702 -6.137 501 HB2 SER 76 HB2 SER 76 5.292 -6.709 -7.925 502 HB3 SER 76 HB1 SER 76 4.881 -5.012 -8.176 503 HG SER 76 HG SER 76 7.102 -6.321 -8.891 504 H SER 77 HN SER 77 4.842 -3.108 -6.588 505 HA SER 77 HA SER 77 2.738 -3.368 -4.591 506 HB2 SER 77 HB2 SER 77 2.347 -0.934 -5.129 507 HB3 SER 77 HB1 SER 77 3.962 -1.301 -4.524 508 HG SER 77 HG SER 77 4.800 -0.903 -6.455 509 H ASP 78 HN ASP 78 2.886 -4.513 -7.526 510 HA ASP 78 HA ASP 78 0.148 -3.683 -8.233 511 HB2 ASP 78 HB2 ASP 78 2.563 -4.145 -9.929 512 HB3 ASP 78 HB1 ASP 78 0.987 -4.566 -10.593 513 H CYS 79 HN CYS 79 -1.276 -5.261 -8.938 514 HA CYS 79 HA CYS 79 -0.463 -8.039 -8.361 515 HB2 CYS 79 HB2 CYS 79 -2.461 -6.495 -7.173 516 HB3 CYS 79 HB1 CYS 79 -3.326 -7.567 -8.267 517 HA PRO 80 HA PRO 80 -1.436 -8.300 -12.802 518 HB2 PRO 80 HB2 PRO 80 -0.347 -10.760 -13.161 519 HB3 PRO 80 HB1 PRO 80 0.620 -9.282 -13.106 520 HG2 PRO 80 HG2 PRO 80 0.107 -11.289 -10.943 521 HG3 PRO 80 HG1 PRO 80 1.631 -10.509 -11.405 522 HD2 PRO 80 HD2 PRO 80 0.175 -9.677 -9.290 523 HD3 PRO 80 HD1 PRO 80 1.115 -8.554 -10.291 524 H TRP 81 HN TRP 81 -3.153 -9.170 -13.835 525 HA TRP 81 HA TRP 81 -5.128 -10.592 -12.378 526 HB2 TRP 81 HB2 TRP 81 -5.398 -10.774 -15.285 527 HB3 TRP 81 HB1 TRP 81 -6.513 -10.126 -14.091 528 HD1 TRP 81 HD1 TRP 81 -3.634 -9.060 -16.393 529 HE1 TRP 81 HE1 TRP 81 -3.708 -6.496 -16.628 530 HE3 TRP 81 HE3 TRP 81 -7.222 -8.056 -12.931 531 HZ2 TRP 81 HZ2 TRP 81 -5.121 -4.335 -15.488 532 HZ3 TRP 81 HZ3 TRP 81 -7.898 -5.713 -12.555 533 HH2 TRP 81 HH2 TRP 81 -6.861 -3.889 -13.810 534 H ASN 82 HN ASN 82 -2.433 -11.607 -14.168 535 HA ASN 82 HA ASN 82 -1.549 -13.700 -14.494 536 HB2 ASN 82 HB2 ASN 82 -2.924 -14.267 -12.367 537 HB3 ASN 82 HB1 ASN 82 -4.095 -14.956 -13.488 538 HD21 ASN 82 HD21 ASN 82 -1.396 -15.562 -11.653 539 HD22 ASN 82 HD22 ASN 82 -0.892 -17.042 -12.388 540 H HIS 83 HN HIS 83 -3.372 -12.152 -16.263 541 HA HIS 83 HA HIS 83 -4.582 -14.256 -17.893 542 HB2 HIS 83 HB2 HIS 83 -4.771 -11.240 -18.119 543 HB3 HIS 83 HB1 HIS 83 -5.670 -12.402 -19.095 544 HD1 HIS 83 HD1 HIS 83 -6.996 -10.263 -17.189 545 HD2 HIS 83 HD2 HIS 83 -6.352 -14.262 -16.279 546 HE1 HIS 83 HE1 HIS 83 -8.638 -10.814 -15.365 547 HE2 HIS 83 HE2 HIS 83 -8.177 -13.217 -14.778 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 -6.067 17.080 20.626 2 H2 SER 1 HT2 SER 1 -5.217 18.314 19.790 3 H3 SER 1 HT3 SER 1 -4.480 17.508 21.113 4 HA SER 1 HA SER 1 -4.302 15.528 19.950 5 HB2 SER 1 HB2 SER 1 -6.627 16.286 18.762 6 HB3 SER 1 HB1 SER 1 -5.488 16.566 17.445 7 HG SER 1 HG SER 1 -6.344 14.419 17.479 8 HA PRO 2 HA PRO 2 -0.566 17.095 18.214 9 HB2 PRO 2 HB2 PRO 2 0.008 15.082 16.417 10 HB3 PRO 2 HB1 PRO 2 0.357 15.013 18.146 11 HG2 PRO 2 HG2 PRO 2 -1.934 13.841 16.626 12 HG3 PRO 2 HG1 PRO 2 -1.006 13.149 17.969 13 HD2 PRO 2 HD2 PRO 2 -3.446 14.209 18.337 14 HD3 PRO 2 HD1 PRO 2 -2.169 14.363 19.562 15 HA PRO 3 HA PRO 3 -1.623 19.113 14.417 16 HB2 PRO 3 HB2 PRO 3 0.798 19.926 13.585 17 HB3 PRO 3 HB1 PRO 3 0.019 20.622 15.011 18 HG2 PRO 3 HG2 PRO 3 2.153 18.528 14.850 19 HG3 PRO 3 HG1 PRO 3 2.026 19.914 15.949 20 HD2 PRO 3 HD2 PRO 3 1.333 17.371 16.654 21 HD3 PRO 3 HD1 PRO 3 0.589 18.817 17.364 22 H VAL 4 HN VAL 4 -2.158 18.422 12.526 23 HA VAL 4 HA VAL 4 -1.233 16.027 11.443 24 HB VAL 4 HB VAL 4 -2.444 17.896 9.538 25 HG11 VAL 4 HG11 VAL 4 -2.890 15.105 10.501 26 HG12 VAL 4 HG12 VAL 4 -2.490 15.682 8.887 27 HG13 VAL 4 HG13 VAL 4 -4.115 15.911 9.523 28 HG21 VAL 4 HG21 VAL 4 -3.641 18.869 11.285 29 HG22 VAL 4 HG22 VAL 4 -3.785 17.345 12.160 30 HG23 VAL 4 HG23 VAL 4 -4.724 17.610 10.692 31 H CYS 5 HN CYS 5 0.964 16.085 11.188 32 HA CYS 5 HA CYS 5 2.368 18.223 9.965 33 HB2 CYS 5 HB2 CYS 5 3.776 15.717 9.600 34 HB3 CYS 5 HB1 CYS 5 4.206 17.093 10.600 35 H GLY 6 HN GLY 6 1.586 18.813 8.027 36 HA2 GLY 6 HA2 GLY 6 1.789 18.728 5.683 37 HA3 GLY 6 HA1 GLY 6 2.079 16.997 5.792 38 H ASN 7 HN ASN 7 -0.553 18.317 7.593 39 HA ASN 7 HA ASN 7 -2.806 18.066 7.472 40 HB2 ASN 7 HB2 ASN 7 -2.027 18.541 4.632 41 HB3 ASN 7 HB1 ASN 7 -3.644 17.898 4.917 42 HD21 ASN 7 HD21 ASN 7 -5.204 19.240 5.562 43 HD22 ASN 7 HD22 ASN 7 -4.977 20.903 5.968 44 H LYS 8 HN LYS 8 -4.205 16.361 7.623 45 HA LYS 8 HA LYS 8 -3.267 13.785 7.555 46 HB2 LYS 8 HB2 LYS 8 -5.371 13.109 8.158 47 HB3 LYS 8 HB1 LYS 8 -5.498 14.825 8.507 48 HG2 LYS 8 HG2 LYS 8 -7.470 14.398 7.404 49 HG3 LYS 8 HG1 LYS 8 -6.444 14.992 6.098 50 HD2 LYS 8 HD2 LYS 8 -7.030 13.124 5.008 51 HD3 LYS 8 HD1 LYS 8 -5.926 12.287 6.102 52 HE2 LYS 8 HE2 LYS 8 -7.813 11.050 6.444 53 HE3 LYS 8 HE1 LYS 8 -8.048 12.291 7.675 54 HZ1 LYS 8 HZ1 LYS 8 -9.465 11.882 5.152 55 HZ2 LYS 8 HZ2 LYS 8 -9.248 13.477 5.671 56 HZ3 LYS 8 HZ3 LYS 8 -10.060 12.370 6.660 57 H ILE 9 HN ILE 9 -2.511 12.616 5.932 58 HA ILE 9 HA ILE 9 -2.813 13.242 3.238 59 HB ILE 9 HB ILE 9 -2.273 10.789 2.766 60 HG12 ILE 9 HG12 ILE 9 -1.142 9.780 4.889 61 HG13 ILE 9 HG11 ILE 9 -2.266 10.812 5.765 62 HG21 ILE 9 HG21 ILE 9 -0.509 12.593 4.374 63 HG22 ILE 9 HG22 ILE 9 -0.586 12.436 2.624 64 HG23 ILE 9 HG23 ILE 9 0.082 11.128 3.602 65 HD11 ILE 9 HD11 ILE 9 -2.731 8.260 4.747 66 HD12 ILE 9 HD12 ILE 9 -3.649 9.360 3.720 67 HD13 ILE 9 HD13 ILE 9 -3.905 9.362 5.464 68 H LEU 10 HN LEU 10 -4.376 13.099 1.843 69 HA LEU 10 HA LEU 10 -6.837 11.808 2.634 70 HB2 LEU 10 HB2 LEU 10 -7.746 12.969 0.592 71 HB3 LEU 10 HB1 LEU 10 -7.135 14.007 1.867 72 HG LEU 10 HG LEU 10 -6.595 14.522 -0.635 73 HD11 LEU 10 HD11 LEU 10 -5.502 15.263 1.773 74 HD12 LEU 10 HD12 LEU 10 -5.193 16.023 0.212 75 HD13 LEU 10 HD13 LEU 10 -4.097 14.783 0.821 76 HD21 LEU 10 HD21 LEU 10 -5.675 12.379 -1.244 77 HD22 LEU 10 HD22 LEU 10 -4.458 12.504 0.024 78 HD23 LEU 10 HD23 LEU 10 -4.422 13.614 -1.345 79 H GLU 11 HN GLU 11 -4.286 10.520 1.388 80 HA GLU 11 HA GLU 11 -5.462 8.258 0.323 81 HB2 GLU 11 HB2 GLU 11 -5.144 8.486 -2.086 82 HB3 GLU 11 HB1 GLU 11 -6.266 9.702 -1.496 83 HG2 GLU 11 HG2 GLU 11 -5.032 11.164 -2.626 84 HG3 GLU 11 HG1 GLU 11 -3.850 10.985 -1.329 85 H GLN 12 HN GLN 12 -3.109 9.104 1.861 86 HA GLN 12 HA GLN 12 -0.993 7.961 0.165 87 HB2 GLN 12 HB2 GLN 12 -0.582 9.662 2.612 88 HB3 GLN 12 HB1 GLN 12 0.639 9.141 1.469 89 HG2 GLN 12 HG2 GLN 12 -1.598 11.088 0.962 90 HG3 GLN 12 HG1 GLN 12 0.121 11.453 1.100 91 HE21 GLN 12 HE21 GLN 12 0.856 12.019 -0.809 92 HE22 GLN 12 HE22 GLN 12 0.524 11.226 -2.307 93 H GLY 13 HN GLY 13 -1.086 8.323 3.685 94 HA2 GLY 13 HA2 GLY 13 -0.995 6.747 5.371 95 HA3 GLY 13 HA1 GLY 13 -1.507 5.540 4.198 96 H GLU 14 HN GLU 14 1.229 7.455 3.427 97 HA GLU 14 HA GLU 14 3.454 6.510 4.514 98 HB2 GLU 14 HB2 GLU 14 2.182 4.296 3.040 99 HB3 GLU 14 HB1 GLU 14 3.881 4.553 2.670 100 HG2 GLU 14 HG2 GLU 14 4.555 4.118 4.850 101 HG3 GLU 14 HG1 GLU 14 2.933 4.350 5.498 102 H ASP 15 HN ASP 15 1.736 7.133 1.596 103 HA ASP 15 HA ASP 15 3.760 7.447 -0.256 104 HB2 ASP 15 HB2 ASP 15 1.032 7.984 -0.135 105 HB3 ASP 15 HB1 ASP 15 1.762 9.558 -0.435 106 H CYS 16 HN CYS 16 2.317 10.069 1.706 107 HA CYS 16 HA CYS 16 4.615 11.211 2.662 108 HB2 CYS 16 HB2 CYS 16 5.634 11.729 0.686 109 HB3 CYS 16 HB1 CYS 16 4.116 11.848 -0.192 110 H ASP 17 HN ASP 17 4.324 13.348 3.526 111 HA ASP 17 HA ASP 17 3.166 14.952 4.629 112 HB2 ASP 17 HB2 ASP 17 1.700 14.676 2.052 113 HB3 ASP 17 HB1 ASP 17 0.915 15.588 3.339 114 H CYS 18 HN CYS 18 2.672 12.112 5.166 115 HA CYS 18 HA CYS 18 0.307 11.064 5.569 116 HB2 CYS 18 HB2 CYS 18 2.719 11.029 7.072 117 HB3 CYS 18 HB1 CYS 18 1.373 11.086 8.209 118 H GLY 19 HN GLY 19 1.360 13.908 7.400 119 HA2 GLY 19 HA2 GLY 19 0.102 15.488 8.519 120 HA3 GLY 19 HA1 GLY 19 -1.302 14.824 7.708 121 H SER 20 HN SER 20 -2.016 12.626 8.585 122 HA SER 20 HA SER 20 -2.866 12.922 11.182 123 HB2 SER 20 HB2 SER 20 -3.700 10.743 11.065 124 HB3 SER 20 HB1 SER 20 -3.640 11.255 9.380 125 HG SER 20 HG SER 20 -1.974 9.935 9.015 126 HA PRO 21 HA PRO 21 1.136 12.666 13.220 127 HB2 PRO 21 HB2 PRO 21 -0.804 12.649 15.495 128 HB3 PRO 21 HB1 PRO 21 0.685 13.582 15.292 129 HG2 PRO 21 HG2 PRO 21 -1.676 14.740 14.912 130 HG3 PRO 21 HG1 PRO 21 -0.309 15.104 13.842 131 HD2 PRO 21 HD2 PRO 21 -2.708 13.406 13.337 132 HD3 PRO 21 HD1 PRO 21 -1.802 14.430 12.211 133 H ALA 22 HN ALA 22 -1.634 10.566 13.601 134 HA ALA 22 HA ALA 22 -0.595 8.649 15.331 135 HB1 ALA 22 HB1 ALA 22 -2.798 8.240 14.906 136 HB2 ALA 22 HB2 ALA 22 -2.081 7.082 13.786 137 HB3 ALA 22 HB3 ALA 22 -2.657 8.641 13.194 138 H ASN 23 HN ASN 23 0.261 9.424 12.089 139 HA ASN 23 HA ASN 23 2.106 7.137 12.032 140 HB2 ASN 23 HB2 ASN 23 0.512 8.271 9.725 141 HB3 ASN 23 HB1 ASN 23 1.805 7.088 9.554 142 HD21 ASN 23 HD21 ASN 23 -0.269 6.139 8.508 143 HD22 ASN 23 HD22 ASN 23 -1.166 5.067 9.523 144 H CYS 24 HN CYS 24 2.348 10.055 12.799 145 HA CYS 24 HA CYS 24 4.155 11.068 10.748 146 HB2 CYS 24 HB2 CYS 24 2.438 12.518 11.946 147 HB3 CYS 24 HB1 CYS 24 3.460 12.394 13.373 148 H GLN 25 HN GLN 25 5.757 9.440 11.004 149 HA GLN 25 HA GLN 25 7.770 8.673 11.722 150 HB2 GLN 25 HB2 GLN 25 7.623 11.365 12.993 151 HB3 GLN 25 HB1 GLN 25 8.880 10.264 13.540 152 HG2 GLN 25 HG2 GLN 25 9.542 10.009 11.123 153 HG3 GLN 25 HG1 GLN 25 8.450 11.347 10.773 154 HE21 GLN 25 HE21 GLN 25 8.914 12.893 13.049 155 HE22 GLN 25 HE22 GLN 25 10.525 13.515 12.973 156 H ASP 26 HN ASP 26 6.288 7.008 12.697 157 HA ASP 26 HA ASP 26 7.180 6.319 15.265 158 HB2 ASP 26 HB2 ASP 26 5.668 8.143 15.971 159 HB3 ASP 26 HB1 ASP 26 4.322 7.308 15.200 160 H ARG 27 HN ARG 27 4.590 5.985 12.880 161 HA ARG 27 HA ARG 27 4.244 3.183 13.629 162 HB2 ARG 27 HB2 ARG 27 2.197 4.414 13.350 163 HB3 ARG 27 HB1 ARG 27 2.689 4.974 11.759 164 HG2 ARG 27 HG2 ARG 27 2.112 3.037 10.747 165 HG3 ARG 27 HG1 ARG 27 2.562 2.048 12.138 166 HD2 ARG 27 HD2 ARG 27 0.530 2.922 13.308 167 HD3 ARG 27 HD1 ARG 27 0.059 3.690 11.792 168 HE ARG 27 HE ARG 27 0.571 0.872 11.551 169 HH11 ARG 27 HH11 ARG 27 -1.824 3.289 12.328 170 HH12 ARG 27 HH12 ARG 27 -3.165 2.262 11.949 171 HH21 ARG 27 HH21 ARG 27 -1.192 -0.480 11.050 172 HH22 ARG 27 HH22 ARG 27 -2.807 0.122 11.224 173 H CYS 28 HN CYS 28 3.846 4.355 10.333 174 HA CYS 28 HA CYS 28 6.271 3.009 9.455 175 HB2 CYS 28 HB2 CYS 28 4.112 1.454 9.577 176 HB3 CYS 28 HB1 CYS 28 3.786 2.210 8.022 177 H CYS 29 HN CYS 29 4.836 5.741 9.410 178 HA CYS 29 HA CYS 29 5.473 6.311 6.613 179 HB2 CYS 29 HB2 CYS 29 3.135 6.046 6.440 180 HB3 CYS 29 HB1 CYS 29 2.843 6.859 7.969 181 H ASN 30 HN ASN 30 5.816 8.558 6.173 182 HA ASN 30 HA ASN 30 6.711 10.059 8.546 183 HB2 ASN 30 HB2 ASN 30 7.804 9.880 5.750 184 HB3 ASN 30 HB1 ASN 30 8.214 11.198 6.827 185 HD21 ASN 30 HD21 ASN 30 8.583 10.125 9.196 186 HD22 ASN 30 HD22 ASN 30 9.826 8.925 9.177 187 H ALA 31 HN ALA 31 5.125 11.384 9.009 188 HA ALA 31 HA ALA 31 3.654 12.817 6.968 189 HB1 ALA 31 HB1 ALA 31 2.133 12.737 8.611 190 HB2 ALA 31 HB2 ALA 31 3.060 13.994 9.416 191 HB3 ALA 31 HB3 ALA 31 3.343 12.304 9.806 192 H ALA 32 HN ALA 32 6.448 13.167 8.902 193 HA ALA 32 HA ALA 32 6.624 16.054 8.353 194 HB1 ALA 32 HB1 ALA 32 8.308 16.149 10.060 195 HB2 ALA 32 HB2 ALA 32 8.363 14.389 10.168 196 HB3 ALA 32 HB3 ALA 32 6.923 15.261 10.698 197 H THR 33 HN THR 33 7.798 13.006 7.384 198 HA THR 33 HA THR 33 10.125 14.209 6.074 199 HB THR 33 HB THR 33 10.024 11.320 5.944 200 HG1 THR 33 HG1 THR 33 9.995 12.501 8.526 201 HG21 THR 33 HG21 THR 33 12.190 11.413 6.730 202 HG22 THR 33 HG22 THR 33 11.916 12.938 7.573 203 HG23 THR 33 HG23 THR 33 12.018 12.909 5.812 204 H CYS 34 HN CYS 34 7.056 13.683 5.330 205 HA CYS 34 HA CYS 34 5.858 13.245 3.453 206 HB2 CYS 34 HB2 CYS 34 6.799 15.321 2.798 207 HB3 CYS 34 HB1 CYS 34 8.336 14.577 2.383 208 H LYS 35 HN LYS 35 6.812 10.849 4.208 209 HA LYS 35 HA LYS 35 6.776 9.386 1.822 210 HB2 LYS 35 HB2 LYS 35 9.380 10.336 2.558 211 HB3 LYS 35 HB1 LYS 35 9.340 8.579 2.644 212 HG2 LYS 35 HG2 LYS 35 8.063 9.602 0.246 213 HG3 LYS 35 HG1 LYS 35 9.753 10.093 0.382 214 HD2 LYS 35 HD2 LYS 35 9.316 7.297 1.075 215 HD3 LYS 35 HD1 LYS 35 8.839 7.679 -0.580 216 HE2 LYS 35 HE2 LYS 35 10.969 8.175 -1.226 217 HE3 LYS 35 HE1 LYS 35 11.439 8.737 0.378 218 HZ1 LYS 35 HZ1 LYS 35 11.940 6.636 1.069 219 HZ2 LYS 35 HZ2 LYS 35 12.326 6.485 -0.571 220 HZ3 LYS 35 HZ3 LYS 35 10.853 5.888 0.010 221 H LEU 36 HN LEU 36 7.733 7.063 2.239 222 HA LEU 36 HA LEU 36 6.399 6.108 4.633 223 HB2 LEU 36 HB2 LEU 36 6.945 3.855 3.723 224 HB3 LEU 36 HB1 LEU 36 6.001 4.852 2.633 225 HG LEU 36 HG LEU 36 8.920 4.997 2.241 226 HD11 LEU 36 HD11 LEU 36 7.390 2.482 1.588 227 HD12 LEU 36 HD12 LEU 36 8.692 2.631 2.768 228 HD13 LEU 36 HD13 LEU 36 9.026 2.865 1.052 229 HD21 LEU 36 HD21 LEU 36 6.830 5.895 0.864 230 HD22 LEU 36 HD22 LEU 36 6.978 4.307 0.111 231 HD23 LEU 36 HD23 LEU 36 8.342 5.426 0.087 232 H THR 37 HN THR 37 7.481 4.652 6.167 233 HA THR 37 HA THR 37 10.247 5.518 6.583 234 HB THR 37 HB THR 37 9.875 4.465 8.881 235 HG1 THR 37 HG1 THR 37 7.637 4.298 9.425 236 HG21 THR 37 HG21 THR 37 8.512 6.889 7.858 237 HG22 THR 37 HG22 THR 37 9.809 6.729 9.043 238 HG23 THR 37 HG23 THR 37 8.149 6.338 9.494 239 HA PRO 38 HA PRO 38 12.544 1.868 5.795 240 HB2 PRO 38 HB2 PRO 38 12.928 1.716 8.765 241 HB3 PRO 38 HB1 PRO 38 14.119 1.523 7.471 242 HG2 PRO 38 HG2 PRO 38 13.957 3.808 8.815 243 HG3 PRO 38 HG1 PRO 38 14.240 3.807 7.064 244 HD2 PRO 38 HD2 PRO 38 11.792 4.519 8.583 245 HD3 PRO 38 HD1 PRO 38 12.355 5.106 7.006 246 H GLY 39 HN GLY 39 12.240 -0.321 5.693 247 HA2 GLY 39 HA2 GLY 39 11.401 -2.416 6.328 248 HA3 GLY 39 HA1 GLY 39 10.477 -1.635 7.603 249 H SER 40 HN SER 40 9.697 0.321 5.261 250 HA SER 40 HA SER 40 7.301 -1.181 4.564 251 HB2 SER 40 HB2 SER 40 6.752 0.972 5.340 252 HB3 SER 40 HB1 SER 40 8.061 1.731 4.435 253 HG SER 40 HG SER 40 5.523 0.986 3.609 254 H GLN 41 HN GLN 41 7.486 -2.434 2.818 255 HA GLN 41 HA GLN 41 9.312 -1.898 0.690 256 HB2 GLN 41 HB2 GLN 41 7.017 -3.864 0.852 257 HB3 GLN 41 HB1 GLN 41 8.241 -3.843 -0.409 258 HG2 GLN 41 HG2 GLN 41 9.861 -4.007 1.681 259 HG3 GLN 41 HG1 GLN 41 8.429 -4.733 2.410 260 HE21 GLN 41 HE21 GLN 41 11.203 -5.513 1.024 261 HE22 GLN 41 HE22 GLN 41 10.777 -6.989 0.234 262 H CYS 42 HN CYS 42 6.025 -1.080 1.352 263 HA CYS 42 HA CYS 42 5.911 0.592 -0.990 264 HB2 CYS 42 HB2 CYS 42 5.178 -1.553 -1.924 265 HB3 CYS 42 HB1 CYS 42 3.947 -1.686 -0.672 266 H ASN 43 HN ASN 43 4.533 2.291 -0.733 267 HA ASN 43 HA ASN 43 3.586 2.824 1.897 268 HB2 ASN 43 HB2 ASN 43 2.605 4.886 0.805 269 HB3 ASN 43 HB1 ASN 43 4.341 4.683 0.593 270 HD21 ASN 43 HD21 ASN 43 5.070 4.988 -1.374 271 HD22 ASN 43 HD22 ASN 43 4.165 4.825 -2.836 272 H TYR 44 HN TYR 44 2.099 1.888 -1.131 273 HA TYR 44 HA TYR 44 -0.062 0.555 0.018 274 HB2 TYR 44 HB2 TYR 44 -1.921 2.029 -0.332 275 HB3 TYR 44 HB1 TYR 44 -0.736 2.910 0.627 276 HD1 TYR 44 HD2 TYR 44 -1.870 2.425 -2.889 277 HD2 TYR 44 HD1 TYR 44 -0.032 5.016 -0.060 278 HE1 TYR 44 HE2 TYR 44 -1.884 4.231 -4.549 279 HE2 TYR 44 HE1 TYR 44 -0.038 6.836 -1.706 280 HH TYR 44 HH TYR 44 -0.079 7.009 -4.263 281 H GLY 45 HN GLY 45 -1.742 -0.016 -1.665 282 HA2 GLY 45 HA2 GLY 45 -1.980 0.386 -4.229 283 HA3 GLY 45 HA1 GLY 45 -0.362 -0.297 -4.238 284 H GLU 46 HN GLU 46 -1.661 -1.752 -5.735 285 HA GLU 46 HA GLU 46 -3.556 -3.566 -4.796 286 HB2 GLU 46 HB2 GLU 46 -1.566 -3.621 -7.036 287 HB3 GLU 46 HB1 GLU 46 -2.561 -5.028 -6.697 288 HG2 GLU 46 HG2 GLU 46 -4.483 -4.023 -7.387 289 HG3 GLU 46 HG1 GLU 46 -3.916 -2.406 -6.969 290 H CYS 47 HN CYS 47 -0.018 -3.862 -4.943 291 HA CYS 47 HA CYS 47 -0.204 -6.348 -3.381 292 HB2 CYS 47 HB2 CYS 47 1.750 -5.244 -5.323 293 HB3 CYS 47 HB1 CYS 47 2.395 -6.235 -4.023 294 H CYS 48 HN CYS 48 -0.474 -3.605 -2.220 295 HA CYS 48 HA CYS 48 1.879 -3.714 -0.445 296 HB2 CYS 48 HB2 CYS 48 0.252 -1.225 -0.882 297 HB3 CYS 48 HB1 CYS 48 1.893 -1.375 -0.259 298 H ASP 49 HN ASP 49 1.536 -4.101 1.627 299 HA ASP 49 HA ASP 49 -1.012 -3.387 2.853 300 HB2 ASP 49 HB2 ASP 49 -0.753 -5.916 1.931 301 HB3 ASP 49 HB1 ASP 49 -0.058 -6.106 3.537 302 H GLN 50 HN GLN 50 -0.594 -2.367 4.674 303 HA GLN 50 HA GLN 50 0.354 -1.699 6.618 304 HB2 GLN 50 HB2 GLN 50 0.129 -4.010 7.323 305 HB3 GLN 50 HB1 GLN 50 1.626 -4.440 6.511 306 HG2 GLN 50 HG2 GLN 50 1.997 -4.262 8.880 307 HG3 GLN 50 HG1 GLN 50 2.861 -2.973 8.043 308 HE21 GLN 50 HE21 GLN 50 1.877 -0.849 8.038 309 HE22 GLN 50 HE22 GLN 50 0.901 -0.364 9.379 310 H CYS 51 HN CYS 51 3.128 -3.654 5.609 311 HA CYS 51 HA CYS 51 4.566 -1.319 4.670 312 HB2 CYS 51 HB2 CYS 51 5.691 -2.865 7.008 313 HB3 CYS 51 HB1 CYS 51 6.348 -1.409 6.271 314 H ARG 52 HN ARG 52 3.713 -4.034 3.707 315 HA ARG 52 HA ARG 52 6.247 -4.729 2.481 316 HB2 ARG 52 HB2 ARG 52 4.874 -6.455 4.475 317 HB3 ARG 52 HB1 ARG 52 5.553 -7.245 3.059 318 HG2 ARG 52 HG2 ARG 52 7.390 -5.355 4.286 319 HG3 ARG 52 HG1 ARG 52 6.891 -6.646 5.380 320 HD2 ARG 52 HD2 ARG 52 7.788 -8.306 4.037 321 HD3 ARG 52 HD1 ARG 52 7.747 -7.297 2.592 322 HE ARG 52 HE ARG 52 9.803 -6.452 3.156 323 HH11 ARG 52 HH11 ARG 52 8.480 -8.161 5.897 324 HH12 ARG 52 HH12 ARG 52 9.949 -8.085 6.811 325 HH21 ARG 52 HH21 ARG 52 11.735 -6.352 4.357 326 HH22 ARG 52 HH22 ARG 52 11.796 -7.058 5.937 327 H PHE 53 HN PHE 53 5.941 -6.466 0.789 328 HA PHE 53 HA PHE 53 3.673 -5.783 -0.802 329 HB2 PHE 53 HB2 PHE 53 5.955 -7.710 -1.173 330 HB3 PHE 53 HB1 PHE 53 4.609 -7.664 -2.308 331 HD1 PHE 53 HD1 PHE 53 4.127 -4.687 -2.253 332 HD2 PHE 53 HD2 PHE 53 7.698 -6.976 -2.568 333 HE1 PHE 53 HE1 PHE 53 5.187 -2.844 -3.464 334 HE2 PHE 53 HE2 PHE 53 8.775 -5.126 -3.783 335 HZ PHE 53 HZ PHE 53 7.520 -3.055 -4.233 336 H LYS 54 HN LYS 54 1.869 -6.969 -1.294 337 HA LYS 54 HA LYS 54 0.908 -8.761 0.652 338 HB2 LYS 54 HB2 LYS 54 -0.055 -7.593 -1.828 339 HB3 LYS 54 HB1 LYS 54 -0.586 -9.260 -1.655 340 HG2 LYS 54 HG2 LYS 54 -1.903 -8.804 0.140 341 HG3 LYS 54 HG1 LYS 54 -0.884 -7.472 0.690 342 HD2 LYS 54 HD2 LYS 54 -1.789 -6.530 -1.705 343 HD3 LYS 54 HD1 LYS 54 -3.175 -7.465 -1.141 344 HE2 LYS 54 HE2 LYS 54 -3.056 -6.243 1.014 345 HE3 LYS 54 HE1 LYS 54 -1.762 -5.252 0.342 346 HZ1 LYS 54 HZ1 LYS 54 -3.969 -4.200 0.210 347 HZ2 LYS 54 HZ2 LYS 54 -4.494 -5.447 -0.804 348 HZ3 LYS 54 HZ3 LYS 54 -3.258 -4.410 -1.312 349 H LYS 55 HN LYS 55 2.378 -10.413 0.934 350 HA LYS 55 HA LYS 55 3.852 -12.007 -0.470 351 HB2 LYS 55 HB2 LYS 55 3.072 -12.487 1.857 352 HB3 LYS 55 HB1 LYS 55 1.641 -13.244 1.172 353 HG2 LYS 55 HG2 LYS 55 3.142 -14.986 1.694 354 HG3 LYS 55 HG1 LYS 55 3.187 -14.799 -0.061 355 HD2 LYS 55 HD2 LYS 55 5.195 -13.244 0.375 356 HD3 LYS 55 HD1 LYS 55 5.233 -13.985 1.977 357 HE2 LYS 55 HE2 LYS 55 5.456 -16.190 0.960 358 HE3 LYS 55 HE1 LYS 55 5.382 -15.468 -0.646 359 HZ1 LYS 55 HZ1 LYS 55 7.616 -15.592 -0.399 360 HZ2 LYS 55 HZ2 LYS 55 7.568 -15.478 1.288 361 HZ3 LYS 55 HZ3 LYS 55 7.386 -14.088 0.342 362 H ALA 56 HN ALA 56 3.890 -13.195 -2.271 363 HA ALA 56 HA ALA 56 2.030 -13.184 -4.223 364 HB1 ALA 56 HB1 ALA 56 4.146 -15.173 -3.550 365 HB2 ALA 56 HB2 ALA 56 4.046 -14.050 -4.907 366 HB3 ALA 56 HB3 ALA 56 3.031 -15.494 -4.880 367 H GLY 57 HN GLY 57 0.254 -14.285 -4.809 368 HA2 GLY 57 HA2 GLY 57 -1.218 -16.199 -4.670 369 HA3 GLY 57 HA1 GLY 57 -0.662 -16.449 -3.019 370 H THR 58 HN THR 58 -0.873 -13.302 -2.979 371 HA THR 58 HA THR 58 -3.491 -13.278 -1.771 372 HB THR 58 HB THR 58 -1.463 -11.070 -2.215 373 HG1 THR 58 HG1 THR 58 -0.706 -12.563 -0.744 374 HG21 THR 58 HG21 THR 58 -4.156 -10.806 -1.534 375 HG22 THR 58 HG22 THR 58 -2.880 -9.589 -1.408 376 HG23 THR 58 HG23 THR 58 -3.253 -10.624 -0.028 377 H VAL 59 HN VAL 59 -5.263 -13.084 -3.005 378 HA VAL 59 HA VAL 59 -5.149 -12.120 -5.676 379 HB VAL 59 HB VAL 59 -6.796 -13.812 -5.014 380 HG11 VAL 59 HG11 VAL 59 -8.605 -11.883 -3.730 381 HG12 VAL 59 HG12 VAL 59 -7.190 -12.345 -2.783 382 HG13 VAL 59 HG13 VAL 59 -8.306 -13.582 -3.362 383 HG21 VAL 59 HG21 VAL 59 -8.857 -12.125 -5.786 384 HG22 VAL 59 HG22 VAL 59 -7.800 -13.052 -6.850 385 HG23 VAL 59 HG23 VAL 59 -7.407 -11.378 -6.458 386 H CYS 60 HN CYS 60 -5.020 -10.054 -6.261 387 HA CYS 60 HA CYS 60 -6.105 -8.008 -4.457 388 HB2 CYS 60 HB2 CYS 60 -4.336 -7.511 -6.839 389 HB3 CYS 60 HB1 CYS 60 -4.657 -6.434 -5.487 390 H ARG 61 HN ARG 61 -6.537 -9.422 -7.586 391 HA ARG 61 HA ARG 61 -8.893 -7.762 -8.014 392 HB2 ARG 61 HB2 ARG 61 -6.490 -7.201 -9.344 393 HB3 ARG 61 HB1 ARG 61 -7.479 -8.046 -10.527 394 HG2 ARG 61 HG2 ARG 61 -9.303 -6.330 -9.604 395 HG3 ARG 61 HG1 ARG 61 -7.848 -5.389 -9.286 396 HD2 ARG 61 HD2 ARG 61 -9.057 -6.224 -11.869 397 HD3 ARG 61 HD1 ARG 61 -8.313 -4.694 -11.416 398 HE ARG 61 HE ARG 61 -7.062 -6.795 -12.786 399 HH11 ARG 61 HH11 ARG 61 -6.420 -4.542 -10.195 400 HH12 ARG 61 HH12 ARG 61 -4.705 -4.591 -10.415 401 HH21 ARG 61 HH21 ARG 61 -4.811 -6.861 -13.070 402 HH22 ARG 61 HH22 ARG 61 -3.790 -5.903 -12.049 403 H ILE 62 HN ILE 62 -9.827 -8.521 -10.324 404 HA ILE 62 HA ILE 62 -9.476 -11.139 -11.191 405 HB ILE 62 HB ILE 62 -10.274 -11.880 -9.036 406 HG12 ILE 62 HG12 ILE 62 -12.278 -13.178 -9.744 407 HG13 ILE 62 HG11 ILE 62 -12.378 -12.178 -11.189 408 HG21 ILE 62 HG21 ILE 62 -12.942 -10.628 -9.426 409 HG22 ILE 62 HG22 ILE 62 -11.626 -9.641 -8.788 410 HG23 ILE 62 HG23 ILE 62 -12.124 -11.104 -7.936 411 HD11 ILE 62 HD11 ILE 62 -10.030 -12.970 -11.716 412 HD12 ILE 62 HD12 ILE 62 -11.324 -14.159 -11.854 413 HD13 ILE 62 HD13 ILE 62 -10.265 -14.168 -10.444 414 H ALA 63 HN ALA 63 -10.535 -11.403 -13.054 415 HA ALA 63 HA ALA 63 -11.869 -9.229 -14.207 416 HB1 ALA 63 HB1 ALA 63 -11.241 -10.342 -16.010 417 HB2 ALA 63 HB2 ALA 63 -12.549 -11.485 -15.724 418 HB3 ALA 63 HB3 ALA 63 -10.943 -11.797 -15.062 419 H ARG 64 HN ARG 64 -13.616 -12.245 -14.557 420 HA ARG 64 HA ARG 64 -15.760 -11.268 -12.833 421 HB2 ARG 64 HB2 ARG 64 -15.965 -11.686 -15.797 422 HB3 ARG 64 HB1 ARG 64 -17.374 -11.914 -14.769 423 HG2 ARG 64 HG2 ARG 64 -15.754 -9.391 -15.044 424 HG3 ARG 64 HG1 ARG 64 -17.364 -9.687 -15.703 425 HD2 ARG 64 HD2 ARG 64 -16.549 -9.429 -12.820 426 HD3 ARG 64 HD1 ARG 64 -17.674 -8.420 -13.729 427 HE ARG 64 HE ARG 64 -18.266 -10.863 -12.388 428 HH11 ARG 64 HH11 ARG 64 -19.132 -8.918 -15.153 429 HH12 ARG 64 HH12 ARG 64 -20.741 -9.550 -15.251 430 HH21 ARG 64 HH21 ARG 64 -20.381 -11.696 -12.515 431 HH22 ARG 64 HH22 ARG 64 -21.451 -11.127 -13.754 432 H GLY 65 HN GLY 65 -15.214 -13.067 -11.496 433 HA2 GLY 65 HA2 GLY 65 -16.530 -15.166 -11.087 434 HA3 GLY 65 HA1 GLY 65 -15.954 -15.673 -12.669 435 H ASP 66 HN ASP 66 -14.068 -16.703 -12.828 436 HA ASP 66 HA ASP 66 -11.846 -16.388 -11.202 437 HB2 ASP 66 HB2 ASP 66 -13.766 -17.613 -9.711 438 HB3 ASP 66 HB1 ASP 66 -12.938 -19.010 -10.393 439 H TRP 67 HN TRP 67 -10.807 -16.587 -13.131 440 HA TRP 67 HA TRP 67 -10.721 -19.291 -14.303 441 HB2 TRP 67 HB2 TRP 67 -9.730 -17.450 -16.202 442 HB3 TRP 67 HB1 TRP 67 -11.232 -18.363 -16.280 443 HD1 TRP 67 HD1 TRP 67 -10.046 -14.990 -14.699 444 HE1 TRP 67 HE1 TRP 67 -11.973 -13.322 -14.923 445 HE3 TRP 67 HE3 TRP 67 -13.509 -18.040 -16.880 446 HZ2 TRP 67 HZ2 TRP 67 -14.606 -13.283 -15.907 447 HZ3 TRP 67 HZ3 TRP 67 -15.718 -17.105 -17.442 448 HH2 TRP 67 HH2 TRP 67 -16.254 -14.770 -16.964 449 H ASN 68 HN ASN 68 -8.829 -16.331 -14.493 450 HA ASN 68 HA ASN 68 -6.370 -17.868 -14.029 451 HB2 ASN 68 HB2 ASN 68 -6.368 -15.024 -14.951 452 HB3 ASN 68 HB1 ASN 68 -5.218 -16.310 -15.300 453 HD21 ASN 68 HD21 ASN 68 -8.530 -15.246 -15.943 454 HD22 ASN 68 HD22 ASN 68 -8.634 -15.934 -17.524 455 H ASP 69 HN ASP 69 -8.305 -15.173 -12.953 456 HA ASP 69 HA ASP 69 -8.354 -14.027 -10.987 457 HB2 ASP 69 HB2 ASP 69 -6.165 -15.849 -10.031 458 HB3 ASP 69 HB1 ASP 69 -7.292 -14.920 -9.049 459 H ASP 70 HN ASP 70 -6.910 -12.794 -9.451 460 HA ASP 70 HA ASP 70 -4.494 -11.869 -10.830 461 HB2 ASP 70 HB2 ASP 70 -6.380 -10.219 -11.010 462 HB3 ASP 70 HB1 ASP 70 -6.389 -10.125 -9.255 463 H TYR 71 HN TYR 71 -2.824 -12.495 -9.642 464 HA TYR 71 HA TYR 71 -3.101 -12.288 -6.721 465 HB2 TYR 71 HB2 TYR 71 -1.932 -14.486 -8.385 466 HB3 TYR 71 HB1 TYR 71 -1.518 -14.282 -6.684 467 HD1 TYR 71 HD2 TYR 71 -3.383 -14.242 -5.017 468 HD2 TYR 71 HD1 TYR 71 -3.908 -15.591 -9.001 469 HE1 TYR 71 HE2 TYR 71 -5.394 -15.437 -4.315 470 HE2 TYR 71 HE1 TYR 71 -5.937 -16.798 -8.343 471 HH TYR 71 HH TYR 71 -7.434 -16.339 -5.280 472 H CYS 72 HN CYS 72 -1.415 -11.684 -5.523 473 HA CYS 72 HA CYS 72 0.526 -10.001 -6.708 474 HB2 CYS 72 HB2 CYS 72 -0.485 -9.924 -4.336 475 HB3 CYS 72 HB1 CYS 72 0.728 -11.137 -3.935 476 H THR 73 HN THR 73 2.897 -10.264 -6.318 477 HA THR 73 HA THR 73 3.695 -13.083 -6.613 478 HB THR 73 HB THR 73 5.239 -12.520 -8.298 479 HG1 THR 73 HG1 THR 73 4.773 -9.783 -7.726 480 HG21 THR 73 HG21 THR 73 3.283 -10.488 -9.153 481 HG22 THR 73 HG22 THR 73 2.645 -12.094 -8.791 482 HG23 THR 73 HG23 THR 73 3.910 -11.899 -10.007 483 H GLY 74 HN GLY 74 3.777 -10.669 -4.488 484 HA2 GLY 74 HA2 GLY 74 5.117 -10.106 -2.719 485 HA3 GLY 74 HA1 GLY 74 5.795 -11.717 -2.893 486 H LYS 75 HN LYS 75 6.053 -9.511 -5.552 487 HA LYS 75 HA LYS 75 8.760 -8.739 -4.764 488 HB2 LYS 75 HB2 LYS 75 8.212 -9.950 -7.471 489 HB3 LYS 75 HB1 LYS 75 9.771 -9.518 -6.782 490 HG2 LYS 75 HG2 LYS 75 8.852 -11.291 -4.941 491 HG3 LYS 75 HG1 LYS 75 8.155 -11.933 -6.430 492 HD2 LYS 75 HD2 LYS 75 10.374 -11.930 -7.464 493 HD3 LYS 75 HD1 LYS 75 11.067 -11.296 -5.970 494 HE2 LYS 75 HE2 LYS 75 9.776 -13.979 -6.418 495 HE3 LYS 75 HE1 LYS 75 11.455 -13.646 -5.994 496 HZ1 LYS 75 HZ1 LYS 75 10.648 -12.738 -3.866 497 HZ2 LYS 75 HZ2 LYS 75 10.279 -14.377 -4.058 498 HZ3 LYS 75 HZ3 LYS 75 9.075 -13.209 -4.274 499 H SER 76 HN SER 76 5.965 -7.535 -5.455 500 HA SER 76 HA SER 76 7.006 -5.136 -6.584 501 HB2 SER 76 HB2 SER 76 5.553 -7.054 -8.344 502 HB3 SER 76 HB1 SER 76 5.213 -5.335 -8.540 503 HG SER 76 HG SER 76 6.948 -5.398 -9.734 504 H SER 77 HN SER 77 5.268 -3.508 -6.971 505 HA SER 77 HA SER 77 3.281 -3.713 -4.847 506 HB2 SER 77 HB2 SER 77 3.616 -1.274 -6.551 507 HB3 SER 77 HB1 SER 77 3.232 -1.393 -4.837 508 HG SER 77 HG SER 77 5.339 -0.703 -5.021 509 H ASP 78 HN ASP 78 3.241 -4.845 -7.796 510 HA ASP 78 HA ASP 78 0.488 -3.946 -8.346 511 HB2 ASP 78 HB2 ASP 78 0.982 -4.531 -10.752 512 HB3 ASP 78 HB1 ASP 78 1.862 -3.139 -10.128 513 H CYS 79 HN CYS 79 -0.999 -5.478 -9.026 514 HA CYS 79 HA CYS 79 -0.239 -8.286 -8.519 515 HB2 CYS 79 HB2 CYS 79 -2.264 -6.646 -7.366 516 HB3 CYS 79 HB1 CYS 79 -3.060 -7.902 -8.306 517 HA PRO 80 HA PRO 80 -1.397 -8.459 -12.921 518 HB2 PRO 80 HB2 PRO 80 -0.406 -10.948 -13.357 519 HB3 PRO 80 HB1 PRO 80 0.612 -9.503 -13.322 520 HG2 PRO 80 HG2 PRO 80 0.121 -11.526 -11.167 521 HG3 PRO 80 HG1 PRO 80 1.650 -10.788 -11.680 522 HD2 PRO 80 HD2 PRO 80 0.304 -9.943 -9.496 523 HD3 PRO 80 HD1 PRO 80 1.246 -8.837 -10.515 524 H TRP 81 HN TRP 81 -3.356 -9.000 -13.620 525 HA TRP 81 HA TRP 81 -4.884 -11.036 -12.207 526 HB2 TRP 81 HB2 TRP 81 -6.850 -10.109 -13.333 527 HB3 TRP 81 HB1 TRP 81 -5.965 -8.892 -12.430 528 HD1 TRP 81 HD1 TRP 81 -3.840 -8.903 -15.231 529 HE1 TRP 81 HE1 TRP 81 -4.590 -7.262 -17.063 530 HE3 TRP 81 HE3 TRP 81 -8.656 -8.245 -13.770 531 HZ2 TRP 81 HZ2 TRP 81 -6.940 -5.867 -17.781 532 HZ3 TRP 81 HZ3 TRP 81 -10.115 -6.743 -15.075 533 HH2 TRP 81 HH2 TRP 81 -9.267 -5.580 -17.049 534 H ASN 82 HN ASN 82 -3.188 -10.702 -15.055 535 HA ASN 82 HA ASN 82 -2.888 -12.001 -16.898 536 HB2 ASN 82 HB2 ASN 82 -4.335 -14.098 -15.265 537 HB3 ASN 82 HB1 ASN 82 -3.316 -14.392 -16.671 538 HD21 ASN 82 HD21 ASN 82 -3.416 -14.298 -13.360 539 HD22 ASN 82 HD22 ASN 82 -1.721 -14.225 -13.036 540 H HIS 83 HN HIS 83 -5.036 -10.282 -17.035 541 HA HIS 83 HA HIS 83 -6.889 -11.821 -18.717 542 HB2 HIS 83 HB2 HIS 83 -7.756 -9.561 -16.908 543 HB3 HIS 83 HB1 HIS 83 -8.788 -10.596 -17.891 544 HD1 HIS 83 HD1 HIS 83 -8.561 -10.165 -14.610 545 HD2 HIS 83 HD2 HIS 83 -7.607 -13.499 -16.895 546 HE1 HIS 83 HE1 HIS 83 -8.672 -12.116 -13.030 547 HE2 HIS 83 HE2 HIS 83 -8.009 -14.109 -14.419 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 -3.812 19.337 19.919 2 H2 SER 1 HT2 SER 1 -3.068 18.619 21.289 3 H3 SER 1 HT3 SER 1 -4.779 18.692 21.179 4 HA SER 1 HA SER 1 -3.715 16.512 20.700 5 HB2 SER 1 HB2 SER 1 -5.309 16.104 18.857 6 HB3 SER 1 HB1 SER 1 -6.031 17.097 20.123 7 HG SER 1 HG SER 1 -6.360 18.552 18.661 8 HA PRO 2 HA PRO 2 -0.390 16.083 17.852 9 HB2 PRO 2 HB2 PRO 2 -2.054 14.051 16.437 10 HB3 PRO 2 HB1 PRO 2 -0.397 13.924 17.038 11 HG2 PRO 2 HG2 PRO 2 -2.392 12.764 18.351 12 HG3 PRO 2 HG1 PRO 2 -1.083 13.576 19.232 13 HD2 PRO 2 HD2 PRO 2 -3.878 14.493 18.717 14 HD3 PRO 2 HD1 PRO 2 -2.859 14.726 20.152 15 HA PRO 3 HA PRO 3 -1.876 18.453 14.342 16 HB2 PRO 3 HB2 PRO 3 0.452 19.474 13.572 17 HB3 PRO 3 HB1 PRO 3 -0.286 19.968 15.101 18 HG2 PRO 3 HG2 PRO 3 1.972 18.080 14.608 19 HG3 PRO 3 HG1 PRO 3 1.756 19.254 15.917 20 HD2 PRO 3 HD2 PRO 3 1.224 16.512 16.071 21 HD3 PRO 3 HD1 PRO 3 0.642 17.747 17.204 22 H VAL 4 HN VAL 4 -2.385 17.804 12.421 23 HA VAL 4 HA VAL 4 -1.481 15.517 11.218 24 HB VAL 4 HB VAL 4 -2.420 17.593 9.361 25 HG11 VAL 4 HG11 VAL 4 -4.175 15.721 9.034 26 HG12 VAL 4 HG12 VAL 4 -3.098 14.766 10.050 27 HG13 VAL 4 HG13 VAL 4 -2.512 15.435 8.532 28 HG21 VAL 4 HG21 VAL 4 -4.014 16.888 11.803 29 HG22 VAL 4 HG22 VAL 4 -4.792 17.368 10.296 30 HG23 VAL 4 HG23 VAL 4 -3.694 18.479 11.113 31 H CYS 5 HN CYS 5 0.733 15.418 11.114 32 HA CYS 5 HA CYS 5 2.378 17.498 10.109 33 HB2 CYS 5 HB2 CYS 5 3.258 14.647 9.869 34 HB3 CYS 5 HB1 CYS 5 4.179 16.055 10.371 35 H GLY 6 HN GLY 6 1.757 18.249 8.152 36 HA2 GLY 6 HA2 GLY 6 2.098 18.260 5.823 37 HA3 GLY 6 HA1 GLY 6 2.260 16.509 5.860 38 H ASN 7 HN ASN 7 -0.388 17.799 7.612 39 HA ASN 7 HA ASN 7 -2.641 17.709 7.338 40 HB2 ASN 7 HB2 ASN 7 -1.644 18.470 4.647 41 HB3 ASN 7 HB1 ASN 7 -3.285 17.829 4.702 42 HD21 ASN 7 HD21 ASN 7 -2.067 20.562 4.248 43 HD22 ASN 7 HD22 ASN 7 -2.956 21.598 5.306 44 H LYS 8 HN LYS 8 -4.178 16.117 7.177 45 HA LYS 8 HA LYS 8 -3.461 13.481 6.952 46 HB2 LYS 8 HB2 LYS 8 -5.734 14.691 7.650 47 HB3 LYS 8 HB1 LYS 8 -6.200 14.204 6.026 48 HG2 LYS 8 HG2 LYS 8 -5.128 12.312 8.105 49 HG3 LYS 8 HG1 LYS 8 -6.844 12.600 7.813 50 HD2 LYS 8 HD2 LYS 8 -6.296 12.003 5.362 51 HD3 LYS 8 HD1 LYS 8 -4.814 11.308 6.022 52 HE2 LYS 8 HE2 LYS 8 -6.256 9.495 5.997 53 HE3 LYS 8 HE1 LYS 8 -6.403 10.081 7.654 54 HZ1 LYS 8 HZ1 LYS 8 -8.538 9.541 6.455 55 HZ2 LYS 8 HZ2 LYS 8 -8.266 10.919 5.512 56 HZ3 LYS 8 HZ3 LYS 8 -8.464 11.066 7.185 57 H ILE 9 HN ILE 9 -2.437 12.573 5.266 58 HA ILE 9 HA ILE 9 -2.395 13.467 2.669 59 HB ILE 9 HB ILE 9 -1.763 11.290 1.851 60 HG12 ILE 9 HG12 ILE 9 -3.477 10.246 3.731 61 HG13 ILE 9 HG11 ILE 9 -2.334 9.325 2.760 62 HG21 ILE 9 HG21 ILE 9 -0.584 12.122 4.461 63 HG22 ILE 9 HG22 ILE 9 -0.007 12.456 2.830 64 HG23 ILE 9 HG23 ILE 9 0.105 10.826 3.491 65 HD11 ILE 9 HD11 ILE 9 -2.156 8.675 5.054 66 HD12 ILE 9 HD12 ILE 9 -1.909 10.346 5.551 67 HD13 ILE 9 HD13 ILE 9 -0.688 9.527 4.577 68 H LEU 10 HN LEU 10 -3.547 13.294 0.863 69 HA LEU 10 HA LEU 10 -6.249 12.222 1.162 70 HB2 LEU 10 HB2 LEU 10 -6.744 13.679 -0.839 71 HB3 LEU 10 HB1 LEU 10 -6.336 14.519 0.646 72 HG LEU 10 HG LEU 10 -5.342 15.366 -1.572 73 HD11 LEU 10 HD11 LEU 10 -4.203 15.158 1.096 74 HD12 LEU 10 HD12 LEU 10 -4.359 16.555 0.031 75 HD13 LEU 10 HD13 LEU 10 -2.998 15.450 -0.158 76 HD21 LEU 10 HD21 LEU 10 -3.292 14.369 -2.306 77 HD22 LEU 10 HD22 LEU 10 -4.555 13.139 -2.331 78 HD23 LEU 10 HD23 LEU 10 -3.369 13.158 -1.027 79 H GLU 11 HN GLU 11 -3.533 11.016 0.232 80 HA GLU 11 HA GLU 11 -4.547 8.980 -1.368 81 HB2 GLU 11 HB2 GLU 11 -3.724 9.515 -3.573 82 HB3 GLU 11 HB1 GLU 11 -4.809 10.789 -3.041 83 HG2 GLU 11 HG2 GLU 11 -3.233 12.261 -3.516 84 HG3 GLU 11 HG1 GLU 11 -2.262 11.579 -2.210 85 H GLN 12 HN GLN 12 -2.611 9.375 0.789 86 HA GLN 12 HA GLN 12 -0.292 8.138 -0.533 87 HB2 GLN 12 HB2 GLN 12 -0.034 9.871 1.910 88 HB3 GLN 12 HB1 GLN 12 1.244 9.278 0.868 89 HG2 GLN 12 HG2 GLN 12 -0.847 11.308 0.118 90 HG3 GLN 12 HG1 GLN 12 0.828 11.654 0.545 91 HE21 GLN 12 HE21 GLN 12 0.861 12.707 -1.549 92 HE22 GLN 12 HE22 GLN 12 1.164 11.763 -2.964 93 H GLY 13 HN GLY 13 -0.517 8.638 2.933 94 HA2 GLY 13 HA2 GLY 13 -1.036 7.120 4.638 95 HA3 GLY 13 HA1 GLY 13 -1.360 5.897 3.416 96 H GLU 14 HN GLU 14 1.499 7.590 2.911 97 HA GLU 14 HA GLU 14 3.495 6.689 4.445 98 HB2 GLU 14 HB2 GLU 14 2.297 4.400 3.166 99 HB3 GLU 14 HB1 GLU 14 3.940 4.612 2.587 100 HG2 GLU 14 HG2 GLU 14 4.667 3.605 4.406 101 HG3 GLU 14 HG1 GLU 14 4.072 4.966 5.353 102 H ASP 15 HN ASP 15 2.241 7.295 1.312 103 HA ASP 15 HA ASP 15 4.577 7.418 -0.210 104 HB2 ASP 15 HB2 ASP 15 1.891 7.918 -0.630 105 HB3 ASP 15 HB1 ASP 15 2.622 9.507 -0.827 106 H CYS 16 HN CYS 16 2.934 9.938 1.677 107 HA CYS 16 HA CYS 16 5.115 11.166 2.743 108 HB2 CYS 16 HB2 CYS 16 6.194 11.801 0.828 109 HB3 CYS 16 HB1 CYS 16 4.709 11.913 -0.105 110 H ASP 17 HN ASP 17 4.660 13.185 3.731 111 HA ASP 17 HA ASP 17 3.363 14.644 4.875 112 HB2 ASP 17 HB2 ASP 17 2.079 14.558 2.177 113 HB3 ASP 17 HB1 ASP 17 1.260 15.419 3.477 114 H CYS 18 HN CYS 18 2.956 11.877 5.373 115 HA CYS 18 HA CYS 18 0.565 10.717 5.393 116 HB2 CYS 18 HB2 CYS 18 2.797 10.509 7.045 117 HB3 CYS 18 HB1 CYS 18 1.451 10.774 8.155 118 H GLY 19 HN GLY 19 1.343 13.570 7.297 119 HA2 GLY 19 HA2 GLY 19 -0.048 15.095 8.324 120 HA3 GLY 19 HA1 GLY 19 -1.351 14.399 7.378 121 H SER 20 HN SER 20 -2.040 12.134 8.194 122 HA SER 20 HA SER 20 -3.181 12.433 10.665 123 HB2 SER 20 HB2 SER 20 -3.786 10.135 10.582 124 HB3 SER 20 HB1 SER 20 -3.799 10.737 8.927 125 HG SER 20 HG SER 20 -2.698 8.829 8.872 126 HA PRO 21 HA PRO 21 0.566 12.355 13.107 127 HB2 PRO 21 HB2 PRO 21 -1.541 12.589 15.201 128 HB3 PRO 21 HB1 PRO 21 -0.060 13.530 14.984 129 HG2 PRO 21 HG2 PRO 21 -2.417 14.570 14.326 130 HG3 PRO 21 HG1 PRO 21 -0.989 14.849 13.312 131 HD2 PRO 21 HD2 PRO 21 -3.289 12.992 12.870 132 HD3 PRO 21 HD1 PRO 21 -2.396 13.968 11.687 133 H ALA 22 HN ALA 22 -2.300 10.372 13.482 134 HA ALA 22 HA ALA 22 -1.465 8.623 15.472 135 HB1 ALA 22 HB1 ALA 22 -3.608 8.136 14.918 136 HB2 ALA 22 HB2 ALA 22 -2.827 6.937 13.887 137 HB3 ALA 22 HB3 ALA 22 -3.357 8.474 13.205 138 H ASN 23 HN ASN 23 -0.364 9.015 12.228 139 HA ASN 23 HA ASN 23 1.340 6.631 12.489 140 HB2 ASN 23 HB2 ASN 23 0.511 7.969 9.908 141 HB3 ASN 23 HB1 ASN 23 1.334 6.421 10.097 142 HD21 ASN 23 HD21 ASN 23 -1.680 8.132 10.647 143 HD22 ASN 23 HD22 ASN 23 -2.689 6.730 10.661 144 H CYS 24 HN CYS 24 1.297 10.027 12.339 145 HA CYS 24 HA CYS 24 3.604 10.709 10.972 146 HB2 CYS 24 HB2 CYS 24 2.004 12.346 11.874 147 HB3 CYS 24 HB1 CYS 24 2.521 11.959 13.509 148 H GLN 25 HN GLN 25 5.233 9.210 11.245 149 HA GLN 25 HA GLN 25 7.132 8.336 12.132 150 HB2 GLN 25 HB2 GLN 25 6.748 10.822 13.721 151 HB3 GLN 25 HB1 GLN 25 7.906 9.646 14.327 152 HG2 GLN 25 HG2 GLN 25 9.069 9.717 12.157 153 HG3 GLN 25 HG1 GLN 25 7.940 10.959 11.619 154 HE21 GLN 25 HE21 GLN 25 7.802 12.883 13.117 155 HE22 GLN 25 HE22 GLN 25 9.294 13.483 13.746 156 H ASP 26 HN ASP 26 5.419 6.610 12.625 157 HA ASP 26 HA ASP 26 5.971 5.538 15.184 158 HB2 ASP 26 HB2 ASP 26 3.475 7.090 14.860 159 HB3 ASP 26 HB1 ASP 26 3.299 5.517 15.633 160 H ARG 27 HN ARG 27 3.069 5.403 13.107 161 HA ARG 27 HA ARG 27 2.822 2.630 13.189 162 HB2 ARG 27 HB2 ARG 27 1.604 4.820 11.709 163 HB3 ARG 27 HB1 ARG 27 1.703 3.346 10.757 164 HG2 ARG 27 HG2 ARG 27 -0.175 2.716 11.752 165 HG3 ARG 27 HG1 ARG 27 0.787 2.474 13.212 166 HD2 ARG 27 HD2 ARG 27 -0.016 4.336 14.208 167 HD3 ARG 27 HD1 ARG 27 -0.083 5.242 12.698 168 HE ARG 27 HE ARG 27 -2.287 4.702 12.565 169 HH11 ARG 27 HH11 ARG 27 -0.707 2.302 14.546 170 HH12 ARG 27 HH12 ARG 27 -2.175 1.460 14.916 171 HH21 ARG 27 HH21 ARG 27 -4.218 3.597 13.052 172 HH22 ARG 27 HH22 ARG 27 -4.168 2.195 14.068 173 H CYS 28 HN CYS 28 3.337 4.063 10.016 174 HA CYS 28 HA CYS 28 5.857 2.744 9.613 175 HB2 CYS 28 HB2 CYS 28 3.486 1.278 9.091 176 HB3 CYS 28 HB1 CYS 28 4.172 1.713 7.530 177 H CYS 29 HN CYS 29 4.659 5.410 9.394 178 HA CYS 29 HA CYS 29 5.513 5.964 6.644 179 HB2 CYS 29 HB2 CYS 29 3.647 7.292 6.103 180 HB3 CYS 29 HB1 CYS 29 2.971 5.824 6.798 181 H ASN 30 HN ASN 30 5.899 8.247 6.255 182 HA ASN 30 HA ASN 30 6.923 9.570 8.674 183 HB2 ASN 30 HB2 ASN 30 7.988 9.353 5.884 184 HB3 ASN 30 HB1 ASN 30 8.391 10.747 6.861 185 HD21 ASN 30 HD21 ASN 30 8.631 9.617 9.349 186 HD22 ASN 30 HD22 ASN 30 9.958 8.513 9.359 187 H ALA 31 HN ALA 31 5.062 10.662 9.105 188 HA ALA 31 HA ALA 31 3.794 12.355 7.153 189 HB1 ALA 31 HB1 ALA 31 3.348 12.742 10.072 190 HB2 ALA 31 HB2 ALA 31 2.812 11.236 9.341 191 HB3 ALA 31 HB3 ALA 31 2.190 12.773 8.749 192 H ALA 32 HN ALA 32 6.377 12.534 9.391 193 HA ALA 32 HA ALA 32 6.544 15.461 9.150 194 HB1 ALA 32 HB1 ALA 32 8.184 13.684 10.945 195 HB2 ALA 32 HB2 ALA 32 6.633 14.377 11.423 196 HB3 ALA 32 HB3 ALA 32 7.990 15.435 11.037 197 H THR 33 HN THR 33 7.587 12.775 7.573 198 HA THR 33 HA THR 33 10.089 14.070 6.758 199 HB THR 33 HB THR 33 10.130 11.221 6.316 200 HG1 THR 33 HG1 THR 33 9.846 12.072 9.008 201 HG21 THR 33 HG21 THR 33 12.224 11.307 7.208 202 HG22 THR 33 HG22 THR 33 11.816 12.619 8.313 203 HG23 THR 33 HG23 THR 33 12.032 12.948 6.593 204 H CYS 34 HN CYS 34 7.085 13.379 5.737 205 HA CYS 34 HA CYS 34 6.079 13.162 3.722 206 HB2 CYS 34 HB2 CYS 34 7.050 15.281 3.284 207 HB3 CYS 34 HB1 CYS 34 8.629 14.575 2.970 208 H LYS 35 HN LYS 35 6.982 10.745 4.427 209 HA LYS 35 HA LYS 35 7.256 9.438 1.942 210 HB2 LYS 35 HB2 LYS 35 9.730 10.193 3.269 211 HB3 LYS 35 HB1 LYS 35 9.619 8.460 2.992 212 HG2 LYS 35 HG2 LYS 35 8.829 10.054 0.683 213 HG3 LYS 35 HG1 LYS 35 10.502 10.312 1.184 214 HD2 LYS 35 HD2 LYS 35 9.644 7.503 1.133 215 HD3 LYS 35 HD1 LYS 35 9.665 8.300 -0.442 216 HE2 LYS 35 HE2 LYS 35 11.916 8.475 -0.469 217 HE3 LYS 35 HE1 LYS 35 12.016 8.787 1.263 218 HZ1 LYS 35 HZ1 LYS 35 12.878 6.555 0.229 219 HZ2 LYS 35 HZ2 LYS 35 11.257 6.099 0.385 220 HZ3 LYS 35 HZ3 LYS 35 12.134 6.580 1.749 221 H LEU 36 HN LEU 36 8.106 7.063 2.371 222 HA LEU 36 HA LEU 36 6.374 6.016 4.451 223 HB2 LEU 36 HB2 LEU 36 6.976 3.806 3.516 224 HB3 LEU 36 HB1 LEU 36 6.315 4.898 2.315 225 HG LEU 36 HG LEU 36 9.262 4.866 2.529 226 HD11 LEU 36 HD11 LEU 36 8.997 2.789 0.861 227 HD12 LEU 36 HD12 LEU 36 7.666 2.445 1.965 228 HD13 LEU 36 HD13 LEU 36 9.308 2.606 2.588 229 HD21 LEU 36 HD21 LEU 36 9.155 5.548 0.380 230 HD22 LEU 36 HD22 LEU 36 7.501 5.972 0.822 231 HD23 LEU 36 HD23 LEU 36 7.829 4.454 -0.015 232 H THR 37 HN THR 37 7.228 4.290 5.941 233 HA THR 37 HA THR 37 9.594 5.296 7.218 234 HB THR 37 HB THR 37 9.147 3.311 8.791 235 HG1 THR 37 HG1 THR 37 7.719 1.985 8.045 236 HG21 THR 37 HG21 THR 37 7.399 5.676 8.395 237 HG22 THR 37 HG22 THR 37 8.482 5.271 9.728 238 HG23 THR 37 HG23 THR 37 6.929 4.449 9.574 239 HA PRO 38 HA PRO 38 12.882 2.862 5.634 240 HB2 PRO 38 HB2 PRO 38 13.380 2.220 8.514 241 HB3 PRO 38 HB1 PRO 38 14.516 2.776 7.277 242 HG2 PRO 38 HG2 PRO 38 13.611 4.471 9.092 243 HG3 PRO 38 HG1 PRO 38 13.759 4.978 7.398 244 HD2 PRO 38 HD2 PRO 38 11.318 4.254 8.956 245 HD3 PRO 38 HD1 PRO 38 11.528 5.481 7.690 246 H GLY 39 HN GLY 39 13.171 0.787 4.980 247 HA2 GLY 39 HA2 GLY 39 13.139 -1.560 5.190 248 HA3 GLY 39 HA1 GLY 39 12.082 -1.399 6.584 249 H SER 40 HN SER 40 10.204 0.379 5.257 250 HA SER 40 HA SER 40 8.407 -1.494 4.249 251 HB2 SER 40 HB2 SER 40 7.474 0.515 5.055 252 HB3 SER 40 HB1 SER 40 8.534 1.508 4.056 253 HG SER 40 HG SER 40 6.291 1.259 3.323 254 H GLN 41 HN GLN 41 7.888 -2.220 2.245 255 HA GLN 41 HA GLN 41 9.843 -1.761 0.150 256 HB2 GLN 41 HB2 GLN 41 7.410 -3.531 -0.025 257 HB3 GLN 41 HB1 GLN 41 8.898 -3.640 -0.955 258 HG2 GLN 41 HG2 GLN 41 9.877 -3.947 1.530 259 HG3 GLN 41 HG1 GLN 41 8.268 -4.636 1.740 260 HE21 GLN 41 HE21 GLN 41 10.683 -4.667 -0.863 261 HE22 GLN 41 HE22 GLN 41 10.709 -6.385 -1.050 262 H CYS 42 HN CYS 42 6.514 -1.002 0.864 263 HA CYS 42 HA CYS 42 6.467 0.864 -1.370 264 HB2 CYS 42 HB2 CYS 42 4.249 0.067 -2.123 265 HB3 CYS 42 HB1 CYS 42 5.511 -1.138 -2.355 266 H ASN 43 HN ASN 43 4.939 2.528 -1.139 267 HA ASN 43 HA ASN 43 4.292 3.106 1.603 268 HB2 ASN 43 HB2 ASN 43 3.356 5.239 0.606 269 HB3 ASN 43 HB1 ASN 43 5.069 4.955 0.314 270 HD21 ASN 43 HD21 ASN 43 5.613 5.584 -1.633 271 HD22 ASN 43 HD22 ASN 43 4.682 5.381 -3.074 272 H TYR 44 HN TYR 44 2.615 2.080 -1.272 273 HA TYR 44 HA TYR 44 0.423 1.027 0.095 274 HB2 TYR 44 HB2 TYR 44 -1.361 2.574 -0.390 275 HB3 TYR 44 HB1 TYR 44 -0.107 3.440 0.488 276 HD1 TYR 44 HD2 TYR 44 -1.272 2.758 -2.987 277 HD2 TYR 44 HD1 TYR 44 0.673 5.464 -0.344 278 HE1 TYR 44 HE2 TYR 44 -1.197 4.436 -4.777 279 HE2 TYR 44 HE1 TYR 44 0.753 7.156 -2.122 280 HH TYR 44 HH TYR 44 0.740 7.025 -4.792 281 H GLY 45 HN GLY 45 -1.445 0.534 -1.479 282 HA2 GLY 45 HA2 GLY 45 -1.725 0.618 -4.061 283 HA3 GLY 45 HA1 GLY 45 -0.203 -0.260 -4.020 284 H GLU 46 HN GLU 46 -1.985 -1.587 -5.302 285 HA GLU 46 HA GLU 46 -3.909 -3.078 -3.942 286 HB2 GLU 46 HB2 GLU 46 -2.348 -3.467 -6.458 287 HB3 GLU 46 HB1 GLU 46 -3.299 -4.811 -5.842 288 HG2 GLU 46 HG2 GLU 46 -4.997 -3.941 -6.975 289 HG3 GLU 46 HG1 GLU 46 -5.060 -2.707 -5.717 290 H CYS 47 HN CYS 47 -0.491 -3.764 -4.524 291 HA CYS 47 HA CYS 47 -0.623 -6.247 -3.018 292 HB2 CYS 47 HB2 CYS 47 1.354 -4.890 -4.765 293 HB3 CYS 47 HB1 CYS 47 1.997 -5.955 -3.522 294 H CYS 48 HN CYS 48 -0.162 -2.983 -2.293 295 HA CYS 48 HA CYS 48 1.797 -3.326 -0.231 296 HB2 CYS 48 HB2 CYS 48 0.936 -1.183 -1.654 297 HB3 CYS 48 HB1 CYS 48 0.090 -0.928 -0.131 298 H ASP 49 HN ASP 49 1.546 -3.350 1.941 299 HA ASP 49 HA ASP 49 -1.079 -3.201 3.151 300 HB2 ASP 49 HB2 ASP 49 -0.339 -5.673 2.318 301 HB3 ASP 49 HB1 ASP 49 0.390 -5.656 3.921 302 H GLN 50 HN GLN 50 -0.540 -1.652 4.579 303 HA GLN 50 HA GLN 50 0.343 -0.711 6.462 304 HB2 GLN 50 HB2 GLN 50 0.472 -3.337 7.054 305 HB3 GLN 50 HB1 GLN 50 2.190 -2.962 7.036 306 HG2 GLN 50 HG2 GLN 50 2.087 -1.778 8.937 307 HG3 GLN 50 HG1 GLN 50 0.523 -1.069 8.535 308 HE21 GLN 50 HE21 GLN 50 1.409 -2.157 11.059 309 HE22 GLN 50 HE22 GLN 50 0.326 -3.446 11.450 310 H CYS 51 HN CYS 51 2.984 -2.730 5.168 311 HA CYS 51 HA CYS 51 4.349 -0.570 3.960 312 HB2 CYS 51 HB2 CYS 51 6.372 -1.062 5.733 313 HB3 CYS 51 HB1 CYS 51 5.299 0.329 5.795 314 H ARG 52 HN ARG 52 3.545 -3.326 3.449 315 HA ARG 52 HA ARG 52 6.056 -4.248 2.338 316 HB2 ARG 52 HB2 ARG 52 4.709 -5.590 4.608 317 HB3 ARG 52 HB1 ARG 52 5.246 -6.639 3.303 318 HG2 ARG 52 HG2 ARG 52 7.210 -4.659 4.250 319 HG3 ARG 52 HG1 ARG 52 6.783 -5.938 5.387 320 HD2 ARG 52 HD2 ARG 52 7.391 -7.631 3.788 321 HD3 ARG 52 HD1 ARG 52 7.663 -6.412 2.543 322 HE ARG 52 HE ARG 52 9.742 -6.059 3.412 323 HH11 ARG 52 HH11 ARG 52 7.796 -7.660 5.826 324 HH12 ARG 52 HH12 ARG 52 9.114 -7.873 6.928 325 HH21 ARG 52 HH21 ARG 52 11.478 -6.339 4.860 326 HH22 ARG 52 HH22 ARG 52 11.205 -7.123 6.380 327 H PHE 53 HN PHE 53 5.733 -6.082 0.826 328 HA PHE 53 HA PHE 53 3.308 -5.670 -0.678 329 HB2 PHE 53 HB2 PHE 53 5.780 -7.326 -1.157 330 HB3 PHE 53 HB1 PHE 53 4.378 -7.418 -2.220 331 HD1 PHE 53 HD1 PHE 53 3.591 -4.513 -2.116 332 HD2 PHE 53 HD2 PHE 53 7.363 -6.413 -2.634 333 HE1 PHE 53 HE1 PHE 53 4.396 -2.560 -3.351 334 HE2 PHE 53 HE2 PHE 53 8.180 -4.451 -3.877 335 HZ PHE 53 HZ PHE 53 6.695 -2.519 -4.239 336 H LYS 54 HN LYS 54 1.769 -7.205 -1.213 337 HA LYS 54 HA LYS 54 1.160 -9.069 0.863 338 HB2 LYS 54 HB2 LYS 54 -0.118 -8.123 -1.626 339 HB3 LYS 54 HB1 LYS 54 -0.536 -9.761 -1.145 340 HG2 LYS 54 HG2 LYS 54 -1.741 -9.080 0.626 341 HG3 LYS 54 HG1 LYS 54 -0.643 -7.749 0.997 342 HD2 LYS 54 HD2 LYS 54 -1.610 -6.711 -1.191 343 HD3 LYS 54 HD1 LYS 54 -2.939 -7.840 -0.917 344 HE2 LYS 54 HE2 LYS 54 -3.632 -6.777 0.989 345 HE3 LYS 54 HE1 LYS 54 -2.022 -6.161 1.360 346 HZ1 LYS 54 HZ1 LYS 54 -2.291 -4.630 -0.558 347 HZ2 LYS 54 HZ2 LYS 54 -3.383 -4.343 0.701 348 HZ3 LYS 54 HZ3 LYS 54 -3.898 -5.140 -0.699 349 H LYS 55 HN LYS 55 2.322 -10.873 1.091 350 HA LYS 55 HA LYS 55 4.046 -12.149 -0.480 351 HB2 LYS 55 HB2 LYS 55 3.416 -12.903 1.785 352 HB3 LYS 55 HB1 LYS 55 1.937 -13.595 1.132 353 HG2 LYS 55 HG2 LYS 55 2.999 -15.386 0.254 354 HG3 LYS 55 HG1 LYS 55 4.465 -14.476 -0.115 355 HD2 LYS 55 HD2 LYS 55 5.231 -14.617 2.116 356 HD3 LYS 55 HD1 LYS 55 3.657 -15.163 2.700 357 HE2 LYS 55 HE2 LYS 55 4.924 -16.847 0.637 358 HE3 LYS 55 HE1 LYS 55 5.733 -16.811 2.203 359 HZ1 LYS 55 HZ1 LYS 55 3.758 -18.473 1.644 360 HZ2 LYS 55 HZ2 LYS 55 2.845 -17.178 2.237 361 HZ3 LYS 55 HZ3 LYS 55 4.038 -17.884 3.206 362 H ALA 56 HN ALA 56 4.119 -13.096 -2.408 363 HA ALA 56 HA ALA 56 2.230 -13.053 -4.316 364 HB1 ALA 56 HB1 ALA 56 3.348 -15.277 -5.153 365 HB2 ALA 56 HB2 ALA 56 4.495 -14.922 -3.858 366 HB3 ALA 56 HB3 ALA 56 4.235 -13.752 -5.154 367 H GLY 57 HN GLY 57 0.385 -14.032 -4.801 368 HA2 GLY 57 HA2 GLY 57 -0.917 -16.125 -4.854 369 HA3 GLY 57 HA1 GLY 57 -0.341 -16.431 -3.219 370 H THR 58 HN THR 58 -0.724 -13.321 -2.966 371 HA THR 58 HA THR 58 -3.332 -13.514 -1.762 372 HB THR 58 HB THR 58 -1.496 -11.131 -2.136 373 HG1 THR 58 HG1 THR 58 -0.485 -11.900 -0.484 374 HG21 THR 58 HG21 THR 58 -4.163 -11.104 -1.405 375 HG22 THR 58 HG22 THR 58 -2.970 -9.827 -1.137 376 HG23 THR 58 HG23 THR 58 -3.282 -11.024 0.122 377 H VAL 59 HN VAL 59 -5.155 -13.311 -2.911 378 HA VAL 59 HA VAL 59 -5.124 -12.243 -5.560 379 HB VAL 59 HB VAL 59 -6.627 -14.091 -4.988 380 HG11 VAL 59 HG11 VAL 59 -8.127 -14.080 -3.312 381 HG12 VAL 59 HG12 VAL 59 -8.565 -12.392 -3.575 382 HG13 VAL 59 HG13 VAL 59 -7.106 -12.793 -2.670 383 HG21 VAL 59 HG21 VAL 59 -7.210 -12.626 -6.856 384 HG22 VAL 59 HG22 VAL 59 -8.126 -11.592 -5.761 385 HG23 VAL 59 HG23 VAL 59 -8.652 -13.250 -6.054 386 H CYS 60 HN CYS 60 -5.187 -10.153 -6.053 387 HA CYS 60 HA CYS 60 -6.393 -8.287 -4.133 388 HB2 CYS 60 HB2 CYS 60 -4.704 -7.559 -6.517 389 HB3 CYS 60 HB1 CYS 60 -5.113 -6.546 -5.139 390 H ARG 61 HN ARG 61 -6.753 -9.570 -7.329 391 HA ARG 61 HA ARG 61 -9.233 -8.055 -7.656 392 HB2 ARG 61 HB2 ARG 61 -7.075 -7.076 -8.891 393 HB3 ARG 61 HB1 ARG 61 -7.509 -8.300 -10.075 394 HG2 ARG 61 HG2 ARG 61 -9.485 -7.257 -10.633 395 HG3 ARG 61 HG1 ARG 61 -9.592 -6.403 -9.094 396 HD2 ARG 61 HD2 ARG 61 -9.033 -4.977 -11.087 397 HD3 ARG 61 HD1 ARG 61 -7.908 -4.860 -9.739 398 HE ARG 61 HE ARG 61 -7.411 -6.285 -12.268 399 HH11 ARG 61 HH11 ARG 61 -6.216 -4.774 -9.344 400 HH12 ARG 61 HH12 ARG 61 -4.559 -4.886 -9.826 401 HH21 ARG 61 HH21 ARG 61 -5.232 -6.440 -12.879 402 HH22 ARG 61 HH22 ARG 61 -3.999 -5.829 -11.827 403 H ILE 62 HN ILE 62 -10.189 -8.848 -9.945 404 HA ILE 62 HA ILE 62 -9.710 -11.409 -10.888 405 HB ILE 62 HB ILE 62 -10.357 -12.235 -8.698 406 HG12 ILE 62 HG12 ILE 62 -12.231 -13.717 -9.378 407 HG13 ILE 62 HG11 ILE 62 -12.479 -12.708 -10.799 408 HG21 ILE 62 HG21 ILE 62 -12.283 -11.683 -7.565 409 HG22 ILE 62 HG22 ILE 62 -13.130 -11.195 -9.035 410 HG23 ILE 62 HG23 ILE 62 -11.885 -10.152 -8.345 411 HD11 ILE 62 HD11 ILE 62 -10.081 -14.399 -10.157 412 HD12 ILE 62 HD12 ILE 62 -10.152 -13.254 -11.497 413 HD13 ILE 62 HD13 ILE 62 -11.251 -14.633 -11.455 414 H ALA 63 HN ALA 63 -10.861 -11.719 -12.696 415 HA ALA 63 HA ALA 63 -12.435 -9.596 -13.672 416 HB1 ALA 63 HB1 ALA 63 -11.786 -10.507 -15.576 417 HB2 ALA 63 HB2 ALA 63 -12.916 -11.829 -15.309 418 HB3 ALA 63 HB3 ALA 63 -11.251 -11.962 -14.740 419 H ARG 64 HN ARG 64 -13.849 -12.761 -14.167 420 HA ARG 64 HA ARG 64 -16.018 -12.145 -12.314 421 HB2 ARG 64 HB2 ARG 64 -16.333 -11.395 -14.880 422 HB3 ARG 64 HB1 ARG 64 -16.892 -13.058 -14.994 423 HG2 ARG 64 HG2 ARG 64 -18.780 -11.657 -14.603 424 HG3 ARG 64 HG1 ARG 64 -18.476 -12.588 -13.135 425 HD2 ARG 64 HD2 ARG 64 -17.364 -10.680 -12.127 426 HD3 ARG 64 HD1 ARG 64 -17.575 -9.749 -13.610 427 HE ARG 64 HE ARG 64 -19.749 -9.342 -13.010 428 HH11 ARG 64 HH11 ARG 64 -18.482 -11.911 -11.017 429 HH12 ARG 64 HH12 ARG 64 -19.851 -11.933 -9.957 430 HH21 ARG 64 HH21 ARG 64 -21.550 -9.369 -11.617 431 HH22 ARG 64 HH22 ARG 64 -21.594 -10.491 -10.298 432 H GLY 65 HN GLY 65 -15.231 -13.957 -11.120 433 HA2 GLY 65 HA2 GLY 65 -16.291 -16.208 -10.811 434 HA3 GLY 65 HA1 GLY 65 -15.739 -16.546 -12.445 435 H ASP 66 HN ASP 66 -13.767 -17.356 -12.748 436 HA ASP 66 HA ASP 66 -11.520 -16.918 -11.181 437 HB2 ASP 66 HB2 ASP 66 -13.225 -18.434 -9.715 438 HB3 ASP 66 HB1 ASP 66 -12.319 -19.694 -10.548 439 H TRP 67 HN TRP 67 -10.539 -16.859 -13.144 440 HA TRP 67 HA TRP 67 -10.221 -19.439 -14.537 441 HB2 TRP 67 HB2 TRP 67 -9.499 -17.361 -16.308 442 HB3 TRP 67 HB1 TRP 67 -10.906 -18.413 -16.412 443 HD1 TRP 67 HD1 TRP 67 -10.005 -15.082 -14.570 444 HE1 TRP 67 HE1 TRP 67 -12.089 -13.601 -14.605 445 HE3 TRP 67 HE3 TRP 67 -13.215 -18.263 -16.943 446 HZ2 TRP 67 HZ2 TRP 67 -14.746 -13.741 -15.534 447 HZ3 TRP 67 HZ3 TRP 67 -15.519 -17.509 -17.377 448 HH2 TRP 67 HH2 TRP 67 -16.268 -15.290 -16.683 449 H ASN 68 HN ASN 68 -8.656 -16.289 -14.540 450 HA ASN 68 HA ASN 68 -6.031 -17.579 -14.276 451 HB2 ASN 68 HB2 ASN 68 -6.370 -14.686 -14.950 452 HB3 ASN 68 HB1 ASN 68 -5.107 -15.807 -15.452 453 HD21 ASN 68 HD21 ASN 68 -8.529 -15.035 -15.887 454 HD22 ASN 68 HD22 ASN 68 -8.635 -15.601 -17.515 455 H ASP 69 HN ASP 69 -8.155 -15.109 -13.005 456 HA ASP 69 HA ASP 69 -8.278 -14.113 -10.961 457 HB2 ASP 69 HB2 ASP 69 -5.982 -15.861 -10.125 458 HB3 ASP 69 HB1 ASP 69 -7.160 -15.070 -9.085 459 H ASP 70 HN ASP 70 -6.977 -12.830 -9.394 460 HA ASP 70 HA ASP 70 -4.619 -11.674 -10.704 461 HB2 ASP 70 HB2 ASP 70 -6.597 -10.148 -10.749 462 HB3 ASP 70 HB1 ASP 70 -6.629 -10.209 -8.992 463 H TYR 71 HN TYR 71 -2.845 -12.086 -9.571 464 HA TYR 71 HA TYR 71 -3.101 -12.191 -6.646 465 HB2 TYR 71 HB2 TYR 71 -1.814 -14.167 -8.493 466 HB3 TYR 71 HB1 TYR 71 -1.364 -14.057 -6.794 467 HD1 TYR 71 HD2 TYR 71 -3.207 -14.243 -5.089 468 HD2 TYR 71 HD1 TYR 71 -3.684 -15.423 -9.134 469 HE1 TYR 71 HE2 TYR 71 -5.091 -15.649 -4.426 470 HE2 TYR 71 HE1 TYR 71 -5.587 -16.840 -8.512 471 HH TYR 71 HH TYR 71 -7.048 -16.687 -5.392 472 H CYS 72 HN CYS 72 -1.448 -11.523 -5.430 473 HA CYS 72 HA CYS 72 0.362 -9.644 -6.546 474 HB2 CYS 72 HB2 CYS 72 -0.633 -9.700 -4.180 475 HB3 CYS 72 HB1 CYS 72 0.614 -10.888 -3.815 476 H THR 73 HN THR 73 2.745 -9.762 -6.217 477 HA THR 73 HA THR 73 3.724 -12.509 -6.635 478 HB THR 73 HB THR 73 5.226 -11.761 -8.284 479 HG1 THR 73 HG1 THR 73 5.684 -9.600 -8.633 480 HG21 THR 73 HG21 THR 73 3.187 -9.813 -9.086 481 HG22 THR 73 HG22 THR 73 2.584 -11.432 -8.726 482 HG23 THR 73 HG23 THR 73 3.835 -11.208 -9.950 483 H GLY 74 HN GLY 74 3.635 -10.319 -4.331 484 HA2 GLY 74 HA2 GLY 74 4.952 -9.752 -2.543 485 HA3 GLY 74 HA1 GLY 74 5.733 -11.300 -2.823 486 H LYS 75 HN LYS 75 5.831 -8.860 -5.295 487 HA LYS 75 HA LYS 75 8.449 -7.921 -4.439 488 HB2 LYS 75 HB2 LYS 75 8.040 -9.303 -7.094 489 HB3 LYS 75 HB1 LYS 75 9.515 -8.499 -6.573 490 HG2 LYS 75 HG2 LYS 75 9.527 -10.129 -4.622 491 HG3 LYS 75 HG1 LYS 75 8.294 -11.024 -5.512 492 HD2 LYS 75 HD2 LYS 75 10.225 -10.565 -7.418 493 HD3 LYS 75 HD1 LYS 75 11.171 -10.848 -5.956 494 HE2 LYS 75 HE2 LYS 75 9.243 -12.671 -7.345 495 HE3 LYS 75 HE1 LYS 75 10.910 -12.979 -6.859 496 HZ1 LYS 75 HZ1 LYS 75 9.712 -14.133 -5.291 497 HZ2 LYS 75 HZ2 LYS 75 8.468 -12.989 -5.216 498 HZ3 LYS 75 HZ3 LYS 75 9.961 -12.662 -4.491 499 H SER 76 HN SER 76 5.615 -6.931 -5.145 500 HA SER 76 HA SER 76 6.441 -4.438 -6.213 501 HB2 SER 76 HB2 SER 76 6.249 -6.142 -8.231 502 HB3 SER 76 HB1 SER 76 4.531 -5.775 -8.080 503 HG SER 76 HG SER 76 5.588 -4.354 -9.527 504 H SER 77 HN SER 77 4.664 -2.908 -6.425 505 HA SER 77 HA SER 77 2.588 -3.463 -4.471 506 HB2 SER 77 HB2 SER 77 2.320 -1.167 -4.282 507 HB3 SER 77 HB1 SER 77 4.013 -1.267 -4.765 508 HG SER 77 HG SER 77 3.539 -0.320 -6.582 509 H ASP 78 HN ASP 78 2.766 -4.355 -7.502 510 HA ASP 78 HA ASP 78 -0.001 -3.593 -8.159 511 HB2 ASP 78 HB2 ASP 78 2.258 -4.357 -10.023 512 HB3 ASP 78 HB1 ASP 78 0.601 -4.034 -10.526 513 H CYS 79 HN CYS 79 -1.459 -5.156 -8.593 514 HA CYS 79 HA CYS 79 -0.566 -7.944 -8.251 515 HB2 CYS 79 HB2 CYS 79 -2.624 -6.429 -6.994 516 HB3 CYS 79 HB1 CYS 79 -3.397 -7.682 -7.961 517 HA PRO 80 HA PRO 80 -1.756 -7.985 -12.656 518 HB2 PRO 80 HB2 PRO 80 -0.669 -10.436 -13.161 519 HB3 PRO 80 HB1 PRO 80 0.271 -8.939 -13.150 520 HG2 PRO 80 HG2 PRO 80 -0.032 -11.001 -10.999 521 HG3 PRO 80 HG1 PRO 80 1.434 -10.169 -11.554 522 HD2 PRO 80 HD2 PRO 80 0.137 -9.423 -9.318 523 HD3 PRO 80 HD1 PRO 80 0.938 -8.242 -10.374 524 H TRP 81 HN TRP 81 -3.703 -8.581 -13.349 525 HA TRP 81 HA TRP 81 -5.119 -10.720 -11.978 526 HB2 TRP 81 HB2 TRP 81 -7.137 -9.853 -13.082 527 HB3 TRP 81 HB1 TRP 81 -6.315 -8.648 -12.105 528 HD1 TRP 81 HD1 TRP 81 -4.243 -8.537 -15.013 529 HE1 TRP 81 HE1 TRP 81 -5.047 -6.773 -16.704 530 HE3 TRP 81 HE3 TRP 81 -8.950 -7.860 -13.252 531 HZ2 TRP 81 HZ2 TRP 81 -7.400 -5.282 -17.210 532 HZ3 TRP 81 HZ3 TRP 81 -10.441 -6.251 -14.383 533 HH2 TRP 81 HH2 TRP 81 -9.674 -4.989 -16.330 534 H ASN 82 HN ASN 82 -3.512 -10.213 -14.863 535 HA ASN 82 HA ASN 82 -3.197 -11.443 -16.751 536 HB2 ASN 82 HB2 ASN 82 -3.168 -13.214 -14.710 537 HB3 ASN 82 HB1 ASN 82 -4.514 -13.855 -15.647 538 HD21 ASN 82 HD21 ASN 82 -1.429 -14.355 -15.125 539 HD22 ASN 82 HD22 ASN 82 -0.894 -14.865 -16.687 540 H HIS 83 HN HIS 83 -5.304 -9.861 -17.019 541 HA HIS 83 HA HIS 83 -7.204 -11.521 -18.515 542 HB2 HIS 83 HB2 HIS 83 -8.031 -9.193 -16.772 543 HB3 HIS 83 HB1 HIS 83 -9.095 -10.232 -17.715 544 HD1 HIS 83 HD1 HIS 83 -8.768 -9.734 -14.443 545 HD2 HIS 83 HD2 HIS 83 -7.971 -13.136 -16.686 546 HE1 HIS 83 HE1 HIS 83 -8.892 -11.650 -12.823 547 HE2 HIS 83 HE2 HIS 83 -8.561 -13.707 -14.237 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 -6.053 17.002 17.452 2 H2 SER 1 HT2 SER 1 -7.327 17.441 18.513 3 H3 SER 1 HT3 SER 1 -6.796 15.812 18.437 4 HA SER 1 HA SER 1 -5.764 18.044 19.886 5 HB2 SER 1 HB2 SER 1 -4.651 15.622 20.751 6 HB3 SER 1 HB1 SER 1 -6.080 16.418 21.407 7 HG SER 1 HG SER 1 -7.088 14.702 20.745 8 HA PRO 2 HA PRO 2 -1.536 16.362 18.409 9 HB2 PRO 2 HB2 PRO 2 -1.403 14.320 16.675 10 HB3 PRO 2 HB1 PRO 2 -1.623 14.054 18.406 11 HG2 PRO 2 HG2 PRO 2 -3.668 14.036 16.217 12 HG3 PRO 2 HG1 PRO 2 -3.472 12.909 17.572 13 HD2 PRO 2 HD2 PRO 2 -5.285 14.948 17.564 14 HD3 PRO 2 HD1 PRO 2 -4.551 14.301 19.045 15 HA PRO 3 HA PRO 3 -1.476 18.579 14.565 16 HB2 PRO 3 HB2 PRO 3 1.140 18.798 14.163 17 HB3 PRO 3 HB1 PRO 3 0.376 19.535 15.576 18 HG2 PRO 3 HG2 PRO 3 1.966 17.015 15.380 19 HG3 PRO 3 HG1 PRO 3 1.963 18.242 16.657 20 HD2 PRO 3 HD2 PRO 3 0.573 15.828 16.729 21 HD3 PRO 3 HD1 PRO 3 0.240 17.239 17.752 22 H VAL 4 HN VAL 4 -1.871 18.098 12.577 23 HA VAL 4 HA VAL 4 -1.098 15.613 11.431 24 HB VAL 4 HB VAL 4 -2.328 17.596 9.661 25 HG11 VAL 4 HG11 VAL 4 -3.992 15.632 9.497 26 HG12 VAL 4 HG12 VAL 4 -2.804 14.753 10.457 27 HG13 VAL 4 HG13 VAL 4 -2.354 15.410 8.886 28 HG21 VAL 4 HG21 VAL 4 -3.563 18.471 11.397 29 HG22 VAL 4 HG22 VAL 4 -3.582 16.951 12.291 30 HG23 VAL 4 HG23 VAL 4 -4.602 17.148 10.866 31 H CYS 5 HN CYS 5 1.116 15.728 11.204 32 HA CYS 5 HA CYS 5 2.471 17.955 10.087 33 HB2 CYS 5 HB2 CYS 5 3.823 15.378 9.667 34 HB3 CYS 5 HB1 CYS 5 4.385 16.817 10.498 35 H GLY 6 HN GLY 6 1.689 18.619 8.177 36 HA2 GLY 6 HA2 GLY 6 1.919 18.631 5.830 37 HA3 GLY 6 HA1 GLY 6 2.200 16.896 5.873 38 H ASN 7 HN ASN 7 -0.420 18.053 7.756 39 HA ASN 7 HA ASN 7 -2.671 17.814 7.615 40 HB2 ASN 7 HB2 ASN 7 -1.887 18.533 4.836 41 HB3 ASN 7 HB1 ASN 7 -3.497 17.852 5.050 42 HD21 ASN 7 HD21 ASN 7 -4.972 18.938 6.431 43 HD22 ASN 7 HD22 ASN 7 -4.807 20.630 6.739 44 H LYS 8 HN LYS 8 -4.068 16.113 7.633 45 HA LYS 8 HA LYS 8 -3.164 13.536 7.396 46 HB2 LYS 8 HB2 LYS 8 -5.389 14.495 8.385 47 HB3 LYS 8 HB1 LYS 8 -6.040 14.119 6.795 48 HG2 LYS 8 HG2 LYS 8 -4.750 12.175 8.699 49 HG3 LYS 8 HG1 LYS 8 -6.472 12.309 8.340 50 HD2 LYS 8 HD2 LYS 8 -5.582 11.964 5.855 51 HD3 LYS 8 HD1 LYS 8 -4.269 11.153 6.711 52 HE2 LYS 8 HE2 LYS 8 -5.900 9.503 6.177 53 HE3 LYS 8 HE1 LYS 8 -6.003 9.805 7.911 54 HZ1 LYS 8 HZ1 LYS 8 -7.935 10.362 5.814 55 HZ2 LYS 8 HZ2 LYS 8 -7.793 11.545 7.015 56 HZ3 LYS 8 HZ3 LYS 8 -8.184 9.955 7.437 57 H ILE 9 HN ILE 9 -2.288 12.615 5.661 58 HA ILE 9 HA ILE 9 -2.588 13.362 3.023 59 HB ILE 9 HB ILE 9 -2.180 10.859 2.438 60 HG12 ILE 9 HG12 ILE 9 -0.885 9.874 4.503 61 HG13 ILE 9 HG11 ILE 9 -2.011 10.861 5.424 62 HG21 ILE 9 HG21 ILE 9 -0.150 11.679 2.126 63 HG22 ILE 9 HG22 ILE 9 0.191 11.543 3.847 64 HG23 ILE 9 HG23 ILE 9 -0.529 13.018 3.203 65 HD11 ILE 9 HD11 ILE 9 -3.853 9.645 4.687 66 HD12 ILE 9 HD12 ILE 9 -2.618 8.428 4.983 67 HD13 ILE 9 HD13 ILE 9 -2.962 8.948 3.337 68 H LEU 10 HN LEU 10 -4.182 13.406 1.640 69 HA LEU 10 HA LEU 10 -6.693 12.196 2.337 70 HB2 LEU 10 HB2 LEU 10 -7.487 13.387 0.246 71 HB3 LEU 10 HB1 LEU 10 -6.912 14.386 1.566 72 HG LEU 10 HG LEU 10 -6.231 14.917 -0.900 73 HD11 LEU 10 HD11 LEU 10 -4.847 16.372 0.044 74 HD12 LEU 10 HD12 LEU 10 -3.799 15.097 0.665 75 HD13 LEU 10 HD13 LEU 10 -5.228 15.585 1.576 76 HD21 LEU 10 HD21 LEU 10 -4.165 13.934 -1.629 77 HD22 LEU 10 HD22 LEU 10 -5.346 12.653 -1.359 78 HD23 LEU 10 HD23 LEU 10 -4.074 12.942 -0.174 79 H GLU 11 HN GLU 11 -4.224 10.738 1.079 80 HA GLU 11 HA GLU 11 -5.659 8.641 -0.063 81 HB2 GLU 11 HB2 GLU 11 -5.214 8.865 -2.435 82 HB3 GLU 11 HB1 GLU 11 -6.127 10.255 -1.870 83 HG2 GLU 11 HG2 GLU 11 -3.722 11.296 -1.600 84 HG3 GLU 11 HG1 GLU 11 -3.318 10.081 -2.813 85 H GLN 12 HN GLN 12 -3.240 9.175 1.607 86 HA GLN 12 HA GLN 12 -1.694 7.012 0.679 87 HB2 GLN 12 HB2 GLN 12 0.326 8.104 -0.006 88 HB3 GLN 12 HB1 GLN 12 -0.999 8.643 -1.017 89 HG2 GLN 12 HG2 GLN 12 -1.049 10.570 0.844 90 HG3 GLN 12 HG1 GLN 12 0.667 10.155 0.905 91 HE21 GLN 12 HE21 GLN 12 1.854 11.385 -0.343 92 HE22 GLN 12 HE22 GLN 12 1.388 12.068 -1.860 93 H GLY 13 HN GLY 13 -1.825 6.348 2.825 94 HA2 GLY 13 HA2 GLY 13 -0.679 8.011 4.915 95 HA3 GLY 13 HA1 GLY 13 -1.392 6.419 5.122 96 H GLU 14 HN GLU 14 1.290 7.653 3.131 97 HA GLU 14 HA GLU 14 3.445 6.709 4.540 98 HB2 GLU 14 HB2 GLU 14 1.935 4.523 3.553 99 HB3 GLU 14 HB1 GLU 14 3.403 4.610 2.593 100 HG2 GLU 14 HG2 GLU 14 4.678 4.701 4.761 101 HG3 GLU 14 HG1 GLU 14 3.162 4.303 5.567 102 H ASP 15 HN ASP 15 1.960 7.143 1.427 103 HA ASP 15 HA ASP 15 4.172 7.224 -0.236 104 HB2 ASP 15 HB2 ASP 15 1.756 7.411 -0.908 105 HB3 ASP 15 HB1 ASP 15 1.807 9.092 -0.380 106 H CYS 16 HN CYS 16 2.661 9.934 1.513 107 HA CYS 16 HA CYS 16 4.957 11.144 2.402 108 HB2 CYS 16 HB2 CYS 16 5.914 11.627 0.380 109 HB3 CYS 16 HB1 CYS 16 4.367 11.729 -0.451 110 H ASP 17 HN ASP 17 4.422 12.670 3.770 111 HA ASP 17 HA ASP 17 3.353 14.399 4.795 112 HB2 ASP 17 HB2 ASP 17 2.487 14.684 2.128 113 HB3 ASP 17 HB1 ASP 17 1.035 14.772 3.119 114 H CYS 18 HN CYS 18 2.887 11.705 5.412 115 HA CYS 18 HA CYS 18 0.451 10.634 5.602 116 HB2 CYS 18 HB2 CYS 18 2.780 10.339 7.075 117 HB3 CYS 18 HB1 CYS 18 1.574 10.747 8.297 118 H GLY 19 HN GLY 19 1.472 13.514 7.343 119 HA2 GLY 19 HA2 GLY 19 0.233 15.123 8.434 120 HA3 GLY 19 HA1 GLY 19 -1.169 14.471 7.602 121 H SER 20 HN SER 20 -1.859 12.223 8.534 122 HA SER 20 HA SER 20 -2.832 12.648 11.051 123 HB2 SER 20 HB2 SER 20 -3.639 10.479 11.030 124 HB3 SER 20 HB1 SER 20 -3.449 10.844 9.317 125 HG SER 20 HG SER 20 -1.877 9.197 10.970 126 HA PRO 21 HA PRO 21 1.068 12.566 13.236 127 HB2 PRO 21 HB2 PRO 21 -0.283 12.952 15.679 128 HB3 PRO 21 HB1 PRO 21 0.468 14.196 14.679 129 HG2 PRO 21 HG2 PRO 21 -2.379 13.405 14.892 130 HG3 PRO 21 HG1 PRO 21 -1.674 14.982 14.499 131 HD2 PRO 21 HD2 PRO 21 -2.831 13.388 12.644 132 HD3 PRO 21 HD1 PRO 21 -1.488 14.471 12.267 133 H ALA 22 HN ALA 22 -1.816 10.686 13.890 134 HA ALA 22 HA ALA 22 -0.907 8.991 15.888 135 HB1 ALA 22 HB1 ALA 22 -2.790 8.557 13.590 136 HB2 ALA 22 HB2 ALA 22 -3.161 8.767 15.302 137 HB3 ALA 22 HB3 ALA 22 -2.425 7.268 14.737 138 H ASN 23 HN ASN 23 0.021 9.232 12.575 139 HA ASN 23 HA ASN 23 1.707 6.835 12.841 140 HB2 ASN 23 HB2 ASN 23 0.734 8.079 10.262 141 HB3 ASN 23 HB1 ASN 23 1.565 6.536 10.460 142 HD21 ASN 23 HD21 ASN 23 -0.673 6.436 9.087 143 HD22 ASN 23 HD22 ASN 23 -1.965 5.752 10.007 144 H CYS 24 HN CYS 24 1.664 10.234 12.447 145 HA CYS 24 HA CYS 24 3.992 10.710 10.982 146 HB2 CYS 24 HB2 CYS 24 2.289 12.422 11.698 147 HB3 CYS 24 HB1 CYS 24 2.996 12.365 13.308 148 H GLN 25 HN GLN 25 6.098 10.513 11.398 149 HA GLN 25 HA GLN 25 8.034 9.949 12.454 150 HB2 GLN 25 HB2 GLN 25 6.844 11.028 14.998 151 HB3 GLN 25 HB1 GLN 25 8.524 11.048 14.480 152 HG2 GLN 25 HG2 GLN 25 7.030 12.466 12.546 153 HG3 GLN 25 HG1 GLN 25 6.518 13.033 14.135 154 HE21 GLN 25 HE21 GLN 25 7.873 14.264 15.334 155 HE22 GLN 25 HE22 GLN 25 9.427 14.795 14.799 156 H ASP 26 HN ASP 26 5.825 8.043 12.410 157 HA ASP 26 HA ASP 26 6.935 6.009 13.991 158 HB2 ASP 26 HB2 ASP 26 5.470 7.657 15.581 159 HB3 ASP 26 HB1 ASP 26 4.235 6.503 15.087 160 H ARG 27 HN ARG 27 4.604 4.445 14.421 161 HA ARG 27 HA ARG 27 3.299 2.953 13.324 162 HB2 ARG 27 HB2 ARG 27 1.832 4.835 12.982 163 HB3 ARG 27 HB1 ARG 27 2.775 5.378 11.603 164 HG2 ARG 27 HG2 ARG 27 1.395 4.242 10.297 165 HG3 ARG 27 HG1 ARG 27 2.033 2.754 10.997 166 HD2 ARG 27 HD2 ARG 27 0.075 4.004 12.729 167 HD3 ARG 27 HD1 ARG 27 -0.586 3.673 11.129 168 HE ARG 27 HE ARG 27 -0.479 1.427 11.578 169 HH11 ARG 27 HH11 ARG 27 1.383 3.159 13.969 170 HH12 ARG 27 HH12 ARG 27 1.619 1.769 14.974 171 HH21 ARG 27 HH21 ARG 27 -0.170 -0.402 12.899 172 HH22 ARG 27 HH22 ARG 27 0.738 -0.253 14.367 173 H CYS 28 HN CYS 28 3.739 4.440 10.214 174 HA CYS 28 HA CYS 28 6.036 2.902 9.482 175 HB2 CYS 28 HB2 CYS 28 3.680 1.488 9.442 176 HB3 CYS 28 HB1 CYS 28 3.797 2.059 7.781 177 H CYS 29 HN CYS 29 4.827 5.661 9.339 178 HA CYS 29 HA CYS 29 5.519 6.134 6.531 179 HB2 CYS 29 HB2 CYS 29 3.614 7.580 6.161 180 HB3 CYS 29 HB1 CYS 29 3.050 5.979 6.633 181 H ASN 30 HN ASN 30 5.859 8.406 6.046 182 HA ASN 30 HA ASN 30 6.966 9.837 8.368 183 HB2 ASN 30 HB2 ASN 30 7.902 9.571 5.531 184 HB3 ASN 30 HB1 ASN 30 8.353 10.965 6.489 185 HD21 ASN 30 HD21 ASN 30 8.757 9.914 8.947 186 HD22 ASN 30 HD22 ASN 30 10.058 8.778 8.911 187 H ALA 31 HN ALA 31 5.252 11.043 8.896 188 HA ALA 31 HA ALA 31 3.816 12.608 6.937 189 HB1 ALA 31 HB1 ALA 31 2.295 12.368 8.577 190 HB2 ALA 31 HB2 ALA 31 3.156 13.661 9.399 191 HB3 ALA 31 HB3 ALA 31 3.523 11.982 9.774 192 H ALA 32 HN ALA 32 6.564 12.870 8.963 193 HA ALA 32 HA ALA 32 6.767 15.771 8.516 194 HB1 ALA 32 HB1 ALA 32 6.986 14.849 10.844 195 HB2 ALA 32 HB2 ALA 32 8.344 15.834 10.298 196 HB3 ALA 32 HB3 ALA 32 8.482 14.075 10.319 197 H THR 33 HN THR 33 7.660 12.978 7.031 198 HA THR 33 HA THR 33 10.131 14.185 6.003 199 HB THR 33 HB THR 33 10.117 11.308 5.751 200 HG1 THR 33 HG1 THR 33 9.985 12.366 8.381 201 HG21 THR 33 HG21 THR 33 11.943 12.845 7.517 202 HG22 THR 33 HG22 THR 33 12.055 13.006 5.764 203 HG23 THR 33 HG23 THR 33 12.268 11.427 6.521 204 H CYS 34 HN CYS 34 7.075 13.530 5.160 205 HA CYS 34 HA CYS 34 5.972 13.188 3.201 206 HB2 CYS 34 HB2 CYS 34 7.005 15.250 2.592 207 HB3 CYS 34 HB1 CYS 34 8.534 14.457 2.243 208 H LYS 35 HN LYS 35 6.894 10.780 4.036 209 HA LYS 35 HA LYS 35 7.036 9.329 1.623 210 HB2 LYS 35 HB2 LYS 35 9.581 10.137 2.782 211 HB3 LYS 35 HB1 LYS 35 9.448 8.397 2.565 212 HG2 LYS 35 HG2 LYS 35 8.533 9.923 0.256 213 HG3 LYS 35 HG1 LYS 35 10.232 10.189 0.654 214 HD2 LYS 35 HD2 LYS 35 9.368 7.383 0.739 215 HD3 LYS 35 HD1 LYS 35 9.298 8.131 -0.858 216 HE2 LYS 35 HE2 LYS 35 11.550 8.341 -1.008 217 HE3 LYS 35 HE1 LYS 35 11.745 8.629 0.721 218 HZ1 LYS 35 HZ1 LYS 35 12.689 6.495 -0.059 219 HZ2 LYS 35 HZ2 LYS 35 11.130 5.977 -0.462 220 HZ3 LYS 35 HZ3 LYS 35 11.520 6.306 1.150 221 H LEU 36 HN LEU 36 7.914 6.997 2.109 222 HA LEU 36 HA LEU 36 6.282 5.996 4.277 223 HB2 LEU 36 HB2 LEU 36 7.190 3.753 3.421 224 HB3 LEU 36 HB1 LEU 36 6.127 4.663 2.365 225 HG LEU 36 HG LEU 36 8.924 5.320 1.908 226 HD11 LEU 36 HD11 LEU 36 8.068 2.463 1.477 227 HD12 LEU 36 HD12 LEU 36 9.296 3.021 2.612 228 HD13 LEU 36 HD13 LEU 36 9.554 3.199 0.877 229 HD21 LEU 36 HD21 LEU 36 6.736 5.642 0.504 230 HD22 LEU 36 HD22 LEU 36 7.120 4.021 -0.076 231 HD23 LEU 36 HD23 LEU 36 8.278 5.333 -0.293 232 H THR 37 HN THR 37 7.237 4.289 5.777 233 HA THR 37 HA THR 37 9.641 5.415 6.938 234 HB THR 37 HB THR 37 9.206 3.611 8.703 235 HG1 THR 37 HG1 THR 37 7.739 2.237 8.169 236 HG21 THR 37 HG21 THR 37 8.578 5.667 9.453 237 HG22 THR 37 HG22 THR 37 7.026 4.829 9.450 238 HG23 THR 37 HG23 THR 37 7.438 5.929 8.134 239 HA PRO 38 HA PRO 38 12.800 2.754 5.437 240 HB2 PRO 38 HB2 PRO 38 13.372 2.383 8.353 241 HB3 PRO 38 HB1 PRO 38 14.490 2.751 7.032 242 HG2 PRO 38 HG2 PRO 38 13.721 4.672 8.674 243 HG3 PRO 38 HG1 PRO 38 13.823 4.986 6.930 244 HD2 PRO 38 HD2 PRO 38 11.419 4.549 8.643 245 HD3 PRO 38 HD1 PRO 38 11.625 5.607 7.232 246 H GLY 39 HN GLY 39 13.089 0.602 5.037 247 HA2 GLY 39 HA2 GLY 39 12.993 -1.706 5.507 248 HA3 GLY 39 HA1 GLY 39 11.912 -1.365 6.848 249 H SER 40 HN SER 40 10.007 0.203 5.465 250 HA SER 40 HA SER 40 8.302 -1.782 4.487 251 HB2 SER 40 HB2 SER 40 6.754 -0.073 4.067 252 HB3 SER 40 HB1 SER 40 7.753 0.595 5.358 253 HG SER 40 HG SER 40 7.257 1.775 3.164 254 H GLN 41 HN GLN 41 7.524 -2.222 2.383 255 HA GLN 41 HA GLN 41 9.538 -1.752 0.304 256 HB2 GLN 41 HB2 GLN 41 7.581 -3.917 0.865 257 HB3 GLN 41 HB1 GLN 41 7.942 -3.585 -0.824 258 HG2 GLN 41 HG2 GLN 41 10.386 -3.804 -0.196 259 HG3 GLN 41 HG1 GLN 41 9.826 -4.458 1.342 260 HE21 GLN 41 HE21 GLN 41 8.047 -6.200 0.987 261 HE22 GLN 41 HE22 GLN 41 8.443 -7.412 -0.178 262 H CYS 42 HN CYS 42 6.158 -1.260 1.065 263 HA CYS 42 HA CYS 42 5.947 0.536 -1.229 264 HB2 CYS 42 HB2 CYS 42 5.061 -1.610 -2.022 265 HB3 CYS 42 HB1 CYS 42 3.945 -1.657 -0.661 266 H ASN 43 HN ASN 43 4.632 2.264 -0.924 267 HA ASN 43 HA ASN 43 3.927 2.917 1.767 268 HB2 ASN 43 HB2 ASN 43 2.971 4.997 0.689 269 HB3 ASN 43 HB1 ASN 43 4.677 4.704 0.363 270 HD21 ASN 43 HD21 ASN 43 5.282 4.909 -1.659 271 HD22 ASN 43 HD22 ASN 43 4.267 4.764 -3.049 272 H TYR 44 HN TYR 44 2.185 1.991 -1.136 273 HA TYR 44 HA TYR 44 0.055 0.787 0.204 274 HB2 TYR 44 HB2 TYR 44 -1.756 2.326 -0.028 275 HB3 TYR 44 HB1 TYR 44 -0.456 3.198 0.775 276 HD1 TYR 44 HD2 TYR 44 -1.883 2.605 -2.625 277 HD2 TYR 44 HD1 TYR 44 0.182 5.277 -0.033 278 HE1 TYR 44 HE2 TYR 44 -2.004 4.355 -4.344 279 HE2 TYR 44 HE1 TYR 44 0.066 7.035 -1.743 280 HH TYR 44 HH TYR 44 -0.175 7.178 -4.228 281 H GLY 45 HN GLY 45 -1.764 0.230 -1.324 282 HA2 GLY 45 HA2 GLY 45 -2.222 0.524 -3.859 283 HA3 GLY 45 HA1 GLY 45 -0.610 -0.161 -3.999 284 H GLU 46 HN GLU 46 -2.093 -1.653 -5.326 285 HA GLU 46 HA GLU 46 -3.860 -3.445 -4.125 286 HB2 GLU 46 HB2 GLU 46 -2.136 -3.565 -6.574 287 HB3 GLU 46 HB1 GLU 46 -3.047 -4.983 -6.071 288 HG2 GLU 46 HG2 GLU 46 -4.785 -4.179 -7.171 289 HG3 GLU 46 HG1 GLU 46 -4.872 -2.878 -5.984 290 H CYS 47 HN CYS 47 -0.365 -3.718 -4.652 291 HA CYS 47 HA CYS 47 -0.322 -6.150 -3.002 292 HB2 CYS 47 HB2 CYS 47 1.540 -4.970 -5.034 293 HB3 CYS 47 HB1 CYS 47 2.149 -6.118 -3.850 294 H CYS 48 HN CYS 48 -0.721 -3.621 -1.710 295 HA CYS 48 HA CYS 48 1.767 -3.533 -0.150 296 HB2 CYS 48 HB2 CYS 48 0.183 -1.036 -0.680 297 HB3 CYS 48 HB1 CYS 48 1.843 -1.189 -0.114 298 H ASP 49 HN ASP 49 1.277 -4.303 1.765 299 HA ASP 49 HA ASP 49 -1.057 -3.213 3.172 300 HB2 ASP 49 HB2 ASP 49 -1.146 -5.726 2.190 301 HB3 ASP 49 HB1 ASP 49 -0.370 -6.043 3.739 302 H GLN 50 HN GLN 50 -0.587 -2.506 5.164 303 HA GLN 50 HA GLN 50 0.532 -2.098 7.104 304 HB2 GLN 50 HB2 GLN 50 1.192 -4.867 6.491 305 HB3 GLN 50 HB1 GLN 50 2.487 -4.063 7.366 306 HG2 GLN 50 HG2 GLN 50 -0.390 -4.200 8.241 307 HG3 GLN 50 HG1 GLN 50 0.922 -5.205 8.857 308 HE21 GLN 50 HE21 GLN 50 2.073 -4.483 10.521 309 HE22 GLN 50 HE22 GLN 50 1.994 -2.886 11.175 310 H CYS 51 HN CYS 51 3.081 -3.660 5.163 311 HA CYS 51 HA CYS 51 4.314 -1.320 4.266 312 HB2 CYS 51 HB2 CYS 51 4.932 -2.049 7.029 313 HB3 CYS 51 HB1 CYS 51 6.368 -1.906 6.023 314 H ARG 52 HN ARG 52 3.718 -3.949 3.337 315 HA ARG 52 HA ARG 52 6.296 -4.624 2.225 316 HB2 ARG 52 HB2 ARG 52 4.920 -6.349 4.221 317 HB3 ARG 52 HB1 ARG 52 5.670 -7.144 2.843 318 HG2 ARG 52 HG2 ARG 52 7.475 -5.215 3.951 319 HG3 ARG 52 HG1 ARG 52 6.889 -6.294 5.218 320 HD2 ARG 52 HD2 ARG 52 7.745 -8.186 4.176 321 HD3 ARG 52 HD1 ARG 52 7.830 -7.398 2.601 322 HE ARG 52 HE ARG 52 9.592 -5.985 4.084 323 HH11 ARG 52 HH11 ARG 52 9.180 -9.401 3.498 324 HH12 ARG 52 HH12 ARG 52 10.864 -9.762 3.675 325 HH21 ARG 52 HH21 ARG 52 11.808 -6.458 4.317 326 HH22 ARG 52 HH22 ARG 52 12.356 -8.091 4.140 327 H PHE 53 HN PHE 53 6.071 -6.405 0.558 328 HA PHE 53 HA PHE 53 3.773 -5.833 -1.058 329 HB2 PHE 53 HB2 PHE 53 6.170 -7.615 -1.447 330 HB3 PHE 53 HB1 PHE 53 4.834 -7.597 -2.596 331 HD1 PHE 53 HD2 PHE 53 4.156 -4.722 -2.571 332 HD2 PHE 53 HD1 PHE 53 7.929 -6.680 -2.664 333 HE1 PHE 53 HE2 PHE 53 5.122 -2.778 -3.692 334 HE2 PHE 53 HE1 PHE 53 8.913 -4.727 -3.793 335 HZ PHE 53 HZ PHE 53 7.510 -2.769 -4.312 336 H LYS 54 HN LYS 54 2.016 -7.051 -1.452 337 HA LYS 54 HA LYS 54 1.221 -8.987 0.421 338 HB2 LYS 54 HB2 LYS 54 0.169 -8.242 -2.303 339 HB3 LYS 54 HB1 LYS 54 -0.580 -9.503 -1.334 340 HG2 LYS 54 HG2 LYS 54 -0.163 -6.712 -0.309 341 HG3 LYS 54 HG1 LYS 54 -1.611 -7.204 -1.189 342 HD2 LYS 54 HD2 LYS 54 -1.554 -9.162 0.615 343 HD3 LYS 54 HD1 LYS 54 -0.703 -7.925 1.542 344 HE2 LYS 54 HE2 LYS 54 -2.995 -7.699 2.082 345 HE3 LYS 54 HE1 LYS 54 -2.611 -6.370 0.988 346 HZ1 LYS 54 HZ1 LYS 54 -3.469 -7.899 -0.829 347 HZ2 LYS 54 HZ2 LYS 54 -4.620 -7.233 0.215 348 HZ3 LYS 54 HZ3 LYS 54 -4.131 -8.840 0.411 349 H LYS 55 HN LYS 55 2.686 -10.640 0.604 350 HA LYS 55 HA LYS 55 4.218 -12.066 -0.939 351 HB2 LYS 55 HB2 LYS 55 3.622 -12.753 1.348 352 HB3 LYS 55 HB1 LYS 55 2.100 -13.402 0.753 353 HG2 LYS 55 HG2 LYS 55 3.178 -15.133 -0.423 354 HG3 LYS 55 HG1 LYS 55 4.759 -14.367 -0.251 355 HD2 LYS 55 HD2 LYS 55 3.267 -15.076 2.222 356 HD3 LYS 55 HD1 LYS 55 4.009 -16.382 1.296 357 HE2 LYS 55 HE2 LYS 55 6.092 -14.772 1.334 358 HE3 LYS 55 HE1 LYS 55 5.283 -14.120 2.759 359 HZ1 LYS 55 HZ1 LYS 55 5.677 -15.981 3.946 360 HZ2 LYS 55 HZ2 LYS 55 6.962 -16.160 2.861 361 HZ3 LYS 55 HZ3 LYS 55 5.525 -17.018 2.617 362 H ALA 56 HN ALA 56 4.251 -13.141 -2.806 363 HA ALA 56 HA ALA 56 2.323 -13.087 -4.703 364 HB1 ALA 56 HB1 ALA 56 4.585 -14.952 -4.222 365 HB2 ALA 56 HB2 ALA 56 4.302 -13.834 -5.557 366 HB3 ALA 56 HB3 ALA 56 3.415 -15.357 -5.478 367 H GLY 57 HN GLY 57 0.394 -13.966 -5.009 368 HA2 GLY 57 HA2 GLY 57 -0.937 -16.048 -5.030 369 HA3 GLY 57 HA1 GLY 57 -0.287 -16.377 -3.429 370 H THR 58 HN THR 58 -0.653 -13.214 -3.263 371 HA THR 58 HA THR 58 -3.176 -13.392 -1.869 372 HB THR 58 HB THR 58 -1.329 -11.039 -2.364 373 HG1 THR 58 HG1 THR 58 -0.216 -11.933 -0.845 374 HG21 THR 58 HG21 THR 58 -3.017 -10.920 -0.012 375 HG22 THR 58 HG22 THR 58 -3.939 -10.907 -1.517 376 HG23 THR 58 HG23 THR 58 -2.683 -9.697 -1.239 377 H VAL 59 HN VAL 59 -4.964 -13.446 -3.149 378 HA VAL 59 HA VAL 59 -5.116 -12.260 -5.705 379 HB VAL 59 HB VAL 59 -6.605 -14.108 -4.989 380 HG11 VAL 59 HG11 VAL 59 -8.062 -13.987 -3.286 381 HG12 VAL 59 HG12 VAL 59 -8.518 -12.325 -3.662 382 HG13 VAL 59 HG13 VAL 59 -7.047 -12.649 -2.745 383 HG21 VAL 59 HG21 VAL 59 -7.900 -11.579 -5.986 384 HG22 VAL 59 HG22 VAL 59 -8.711 -13.144 -5.971 385 HG23 VAL 59 HG23 VAL 59 -7.256 -12.914 -6.941 386 H CYS 60 HN CYS 60 -5.272 -10.173 -6.220 387 HA CYS 60 HA CYS 60 -6.462 -8.355 -4.225 388 HB2 CYS 60 HB2 CYS 60 -4.747 -7.139 -6.286 389 HB3 CYS 60 HB1 CYS 60 -4.846 -6.810 -4.562 390 H ARG 61 HN ARG 61 -6.777 -9.602 -7.371 391 HA ARG 61 HA ARG 61 -9.041 -7.863 -7.867 392 HB2 ARG 61 HB2 ARG 61 -6.483 -7.568 -9.256 393 HB3 ARG 61 HB1 ARG 61 -7.844 -7.777 -10.349 394 HG2 ARG 61 HG2 ARG 61 -8.901 -5.938 -8.743 395 HG3 ARG 61 HG1 ARG 61 -7.196 -5.542 -8.524 396 HD2 ARG 61 HD2 ARG 61 -8.775 -5.592 -11.086 397 HD3 ARG 61 HD1 ARG 61 -7.992 -4.209 -10.322 398 HE ARG 61 HE ARG 61 -6.782 -6.129 -12.059 399 HH11 ARG 61 HH11 ARG 61 -6.161 -3.963 -9.395 400 HH12 ARG 61 HH12 ARG 61 -4.477 -3.797 -9.763 401 HH21 ARG 61 HH21 ARG 61 -4.574 -5.916 -12.542 402 HH22 ARG 61 HH22 ARG 61 -3.575 -4.905 -11.552 403 H ILE 62 HN ILE 62 -9.834 -8.457 -10.275 404 HA ILE 62 HA ILE 62 -9.454 -11.065 -11.218 405 HB ILE 62 HB ILE 62 -12.131 -11.423 -10.564 406 HG12 ILE 62 HG12 ILE 62 -12.366 -11.265 -8.214 407 HG13 ILE 62 HG11 ILE 62 -10.667 -10.870 -7.988 408 HG21 ILE 62 HG21 ILE 62 -9.682 -12.678 -9.355 409 HG22 ILE 62 HG22 ILE 62 -10.489 -13.156 -10.849 410 HG23 ILE 62 HG23 ILE 62 -11.312 -13.348 -9.300 411 HD11 ILE 62 HD11 ILE 62 -11.022 -8.692 -8.312 412 HD12 ILE 62 HD12 ILE 62 -12.719 -9.082 -8.025 413 HD13 ILE 62 HD13 ILE 62 -12.105 -8.974 -9.674 414 H ALA 63 HN ALA 63 -10.420 -11.332 -13.149 415 HA ALA 63 HA ALA 63 -11.336 -9.057 -14.488 416 HB1 ALA 63 HB1 ALA 63 -10.718 -11.760 -15.178 417 HB2 ALA 63 HB2 ALA 63 -10.759 -10.330 -16.206 418 HB3 ALA 63 HB3 ALA 63 -12.223 -11.278 -15.961 419 H ARG 64 HN ARG 64 -13.373 -11.919 -14.650 420 HA ARG 64 HA ARG 64 -15.553 -10.518 -13.315 421 HB2 ARG 64 HB2 ARG 64 -15.455 -10.243 -15.963 422 HB3 ARG 64 HB1 ARG 64 -16.231 -11.820 -15.907 423 HG2 ARG 64 HG2 ARG 64 -17.931 -10.159 -16.046 424 HG3 ARG 64 HG1 ARG 64 -17.968 -10.839 -14.418 425 HD2 ARG 64 HD2 ARG 64 -16.270 -8.791 -14.028 426 HD3 ARG 64 HD1 ARG 64 -17.250 -8.123 -15.332 427 HE ARG 64 HE ARG 64 -18.809 -9.259 -13.208 428 HH11 ARG 64 HH11 ARG 64 -17.119 -6.401 -14.283 429 HH12 ARG 64 HH12 ARG 64 -18.066 -5.324 -13.312 430 HH21 ARG 64 HH21 ARG 64 -20.056 -7.844 -11.931 431 HH22 ARG 64 HH22 ARG 64 -19.733 -6.143 -11.976 432 H GLY 65 HN GLY 65 -15.282 -12.142 -11.690 433 HA2 GLY 65 HA2 GLY 65 -16.751 -14.046 -11.058 434 HA3 GLY 65 HA1 GLY 65 -16.226 -14.803 -12.556 435 H ASP 66 HN ASP 66 -14.415 -15.986 -12.586 436 HA ASP 66 HA ASP 66 -12.195 -15.710 -10.977 437 HB2 ASP 66 HB2 ASP 66 -12.561 -17.705 -9.421 438 HB3 ASP 66 HB1 ASP 66 -13.408 -16.216 -9.013 439 H TRP 67 HN TRP 67 -11.157 -16.271 -12.815 440 HA TRP 67 HA TRP 67 -11.328 -19.102 -13.625 441 HB2 TRP 67 HB2 TRP 67 -10.115 -17.634 -15.713 442 HB3 TRP 67 HB1 TRP 67 -11.700 -18.398 -15.724 443 HD1 TRP 67 HD1 TRP 67 -10.216 -14.990 -14.532 444 HE1 TRP 67 HE1 TRP 67 -11.945 -13.176 -15.059 445 HE3 TRP 67 HE3 TRP 67 -13.912 -17.928 -16.461 446 HZ2 TRP 67 HZ2 TRP 67 -14.525 -12.998 -16.149 447 HZ3 TRP 67 HZ3 TRP 67 -15.992 -16.856 -17.234 448 HH2 TRP 67 HH2 TRP 67 -16.291 -14.436 -17.080 449 H ASN 68 HN ASN 68 -9.144 -16.390 -14.133 450 HA ASN 68 HA ASN 68 -6.857 -18.078 -13.422 451 HB2 ASN 68 HB2 ASN 68 -6.510 -15.334 -14.548 452 HB3 ASN 68 HB1 ASN 68 -5.543 -16.781 -14.812 453 HD21 ASN 68 HD21 ASN 68 -8.647 -15.277 -15.570 454 HD22 ASN 68 HD22 ASN 68 -8.857 -16.059 -17.095 455 H ASP 69 HN ASP 69 -8.634 -15.214 -12.582 456 HA ASP 69 HA ASP 69 -8.646 -13.874 -10.755 457 HB2 ASP 69 HB2 ASP 69 -7.320 -16.341 -9.758 458 HB3 ASP 69 HB1 ASP 69 -7.262 -14.904 -8.743 459 H ASP 70 HN ASP 70 -7.521 -12.196 -9.865 460 HA ASP 70 HA ASP 70 -4.877 -11.729 -10.955 461 HB2 ASP 70 HB2 ASP 70 -6.731 -9.977 -10.873 462 HB3 ASP 70 HB1 ASP 70 -6.458 -9.917 -9.138 463 H TYR 71 HN TYR 71 -3.030 -12.062 -9.852 464 HA TYR 71 HA TYR 71 -3.212 -12.206 -6.922 465 HB2 TYR 71 HB2 TYR 71 -2.159 -14.248 -8.822 466 HB3 TYR 71 HB1 TYR 71 -1.467 -14.115 -7.206 467 HD1 TYR 71 HD2 TYR 71 -2.995 -14.282 -5.243 468 HD2 TYR 71 HD1 TYR 71 -4.194 -15.350 -9.161 469 HE1 TYR 71 HE2 TYR 71 -4.839 -15.588 -4.294 470 HE2 TYR 71 HE1 TYR 71 -6.061 -16.653 -8.250 471 HH TYR 71 HH TYR 71 -6.672 -17.784 -6.151 472 H CYS 72 HN CYS 72 -1.542 -11.514 -5.756 473 HA CYS 72 HA CYS 72 0.303 -9.722 -6.933 474 HB2 CYS 72 HB2 CYS 72 -0.642 -9.718 -4.544 475 HB3 CYS 72 HB1 CYS 72 0.587 -10.927 -4.190 476 H THR 73 HN THR 73 2.700 -9.898 -6.585 477 HA THR 73 HA THR 73 3.596 -12.669 -7.015 478 HB THR 73 HB THR 73 5.071 -11.983 -8.698 479 HG1 THR 73 HG1 THR 73 5.704 -9.881 -9.004 480 HG21 THR 73 HG21 THR 73 2.471 -11.544 -9.115 481 HG22 THR 73 HG22 THR 73 3.709 -11.244 -10.337 482 HG23 THR 73 HG23 THR 73 3.084 -9.908 -9.369 483 H GLY 74 HN GLY 74 3.585 -10.473 -4.714 484 HA2 GLY 74 HA2 GLY 74 4.931 -9.939 -2.937 485 HA3 GLY 74 HA1 GLY 74 5.664 -11.510 -3.218 486 H LYS 75 HN LYS 75 5.803 -9.066 -5.685 487 HA LYS 75 HA LYS 75 8.476 -8.241 -4.871 488 HB2 LYS 75 HB2 LYS 75 7.920 -9.553 -7.535 489 HB3 LYS 75 HB1 LYS 75 9.435 -8.789 -7.076 490 HG2 LYS 75 HG2 LYS 75 9.461 -10.455 -5.129 491 HG3 LYS 75 HG1 LYS 75 8.221 -11.321 -6.038 492 HD2 LYS 75 HD2 LYS 75 10.100 -10.844 -7.961 493 HD3 LYS 75 HD1 LYS 75 11.100 -11.086 -6.527 494 HE2 LYS 75 HE2 LYS 75 10.890 -13.241 -7.320 495 HE3 LYS 75 HE1 LYS 75 9.576 -13.161 -6.148 496 HZ1 LYS 75 HZ1 LYS 75 9.433 -13.119 -9.091 497 HZ2 LYS 75 HZ2 LYS 75 8.182 -12.447 -8.171 498 HZ3 LYS 75 HZ3 LYS 75 8.575 -14.083 -7.995 499 H SER 76 HN SER 76 5.657 -7.124 -5.476 500 HA SER 76 HA SER 76 6.572 -4.644 -6.527 501 HB2 SER 76 HB2 SER 76 5.193 -4.602 -8.572 502 HB3 SER 76 HB1 SER 76 6.430 -5.856 -8.650 503 HG SER 76 HG SER 76 4.805 -7.114 -9.085 504 H SER 77 HN SER 77 4.782 -3.062 -6.772 505 HA SER 77 HA SER 77 2.823 -3.481 -4.658 506 HB2 SER 77 HB2 SER 77 2.361 -1.020 -5.039 507 HB3 SER 77 HB1 SER 77 4.002 -1.402 -4.520 508 HG SER 77 HG SER 77 3.570 0.079 -6.446 509 H ASP 78 HN ASP 78 2.793 -4.435 -7.667 510 HA ASP 78 HA ASP 78 0.014 -3.585 -8.155 511 HB2 ASP 78 HB2 ASP 78 2.311 -3.987 -10.030 512 HB3 ASP 78 HB1 ASP 78 0.676 -4.295 -10.606 513 H CYS 79 HN CYS 79 -1.445 -5.111 -8.911 514 HA CYS 79 HA CYS 79 -0.637 -7.925 -8.527 515 HB2 CYS 79 HB2 CYS 79 -2.436 -6.579 -7.026 516 HB3 CYS 79 HB1 CYS 79 -3.497 -7.182 -8.294 517 HA PRO 80 HA PRO 80 -1.819 -7.892 -12.924 518 HB2 PRO 80 HB2 PRO 80 -0.706 -10.281 -13.534 519 HB3 PRO 80 HB1 PRO 80 0.246 -8.799 -13.381 520 HG2 PRO 80 HG2 PRO 80 -0.162 -11.000 -11.390 521 HG3 PRO 80 HG1 PRO 80 1.336 -10.161 -11.836 522 HD2 PRO 80 HD2 PRO 80 -0.067 -9.542 -9.604 523 HD3 PRO 80 HD1 PRO 80 0.853 -8.331 -10.518 524 H TRP 81 HN TRP 81 -3.701 -8.549 -13.742 525 HA TRP 81 HA TRP 81 -5.659 -9.967 -12.459 526 HB2 TRP 81 HB2 TRP 81 -5.701 -10.523 -15.333 527 HB3 TRP 81 HB1 TRP 81 -6.885 -9.701 -14.331 528 HD1 TRP 81 HD1 TRP 81 -3.686 -8.970 -16.358 529 HE1 TRP 81 HE1 TRP 81 -3.709 -6.476 -16.996 530 HE3 TRP 81 HE3 TRP 81 -7.793 -7.523 -13.728 531 HZ2 TRP 81 HZ2 TRP 81 -5.280 -4.197 -16.450 532 HZ3 TRP 81 HZ3 TRP 81 -8.507 -5.165 -13.832 533 HH2 TRP 81 HH2 TRP 81 -7.270 -3.534 -15.167 534 H ASN 82 HN ASN 82 -2.990 -11.205 -14.267 535 HA ASN 82 HA ASN 82 -2.040 -13.291 -14.303 536 HB2 ASN 82 HB2 ASN 82 -3.568 -13.551 -12.093 537 HB3 ASN 82 HB1 ASN 82 -4.381 -14.701 -13.150 538 HD21 ASN 82 HD21 ASN 82 -2.114 -15.541 -14.607 539 HD22 ASN 82 HD22 ASN 82 -1.113 -16.466 -13.547 540 H HIS 83 HN HIS 83 -3.715 -12.058 -16.267 541 HA HIS 83 HA HIS 83 -5.052 -14.340 -17.537 542 HB2 HIS 83 HB2 HIS 83 -5.204 -11.385 -18.190 543 HB3 HIS 83 HB1 HIS 83 -6.140 -12.661 -18.967 544 HD1 HIS 83 HD1 HIS 83 -7.254 -10.181 -17.246 545 HD2 HIS 83 HD2 HIS 83 -6.930 -14.136 -16.024 546 HE1 HIS 83 HE1 HIS 83 -8.899 -10.441 -15.362 547 HE2 HIS 83 HE2 HIS 83 -8.632 -12.822 -14.589 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 -7.310 23.091 14.049 2 H2 SER 1 HT2 SER 1 -8.721 22.612 14.902 3 H3 SER 1 HT3 SER 1 -8.848 23.225 13.304 4 HA SER 1 HA SER 1 -9.086 20.820 13.468 5 HB2 SER 1 HB2 SER 1 -6.600 21.606 11.949 6 HB3 SER 1 HB1 SER 1 -7.851 20.456 11.479 7 HG SER 1 HG SER 1 -8.833 22.049 10.551 8 HA PRO 2 HA PRO 2 -6.301 18.529 16.007 9 HB2 PRO 2 HB2 PRO 2 -6.237 16.126 14.749 10 HB3 PRO 2 HB1 PRO 2 -7.643 16.695 15.657 11 HG2 PRO 2 HG2 PRO 2 -7.150 16.741 12.704 12 HG3 PRO 2 HG1 PRO 2 -8.626 16.305 13.585 13 HD2 PRO 2 HD2 PRO 2 -8.284 18.727 12.425 14 HD3 PRO 2 HD1 PRO 2 -9.233 18.505 13.909 15 HA PRO 3 HA PRO 3 -2.193 18.636 14.379 16 HB2 PRO 3 HB2 PRO 3 -0.983 16.598 15.702 17 HB3 PRO 3 HB1 PRO 3 -1.419 18.122 16.482 18 HG2 PRO 3 HG2 PRO 3 -2.860 15.498 16.512 19 HG3 PRO 3 HG1 PRO 3 -2.564 16.627 17.847 20 HD2 PRO 3 HD2 PRO 3 -4.937 16.500 16.554 21 HD3 PRO 3 HD1 PRO 3 -4.299 18.015 17.226 22 H VAL 4 HN VAL 4 -1.388 18.050 12.542 23 HA VAL 4 HA VAL 4 -1.289 15.308 11.731 24 HB VAL 4 HB VAL 4 -2.240 17.019 9.564 25 HG11 VAL 4 HG11 VAL 4 -3.880 14.911 9.596 26 HG12 VAL 4 HG12 VAL 4 -2.565 14.261 10.571 27 HG13 VAL 4 HG13 VAL 4 -2.248 14.841 8.939 28 HG21 VAL 4 HG21 VAL 4 -4.565 17.089 10.232 29 HG22 VAL 4 HG22 VAL 4 -3.577 17.949 11.413 30 HG23 VAL 4 HG23 VAL 4 -4.170 16.328 11.773 31 H CYS 5 HN CYS 5 0.935 15.509 11.872 32 HA CYS 5 HA CYS 5 2.397 17.648 10.720 33 HB2 CYS 5 HB2 CYS 5 4.266 15.707 10.751 34 HB3 CYS 5 HB1 CYS 5 3.794 16.593 12.192 35 H GLY 6 HN GLY 6 1.874 18.041 8.658 36 HA2 GLY 6 HA2 GLY 6 2.608 17.714 6.390 37 HA3 GLY 6 HA1 GLY 6 2.597 15.979 6.684 38 H ASN 7 HN ASN 7 -0.042 17.713 7.994 39 HA ASN 7 HA ASN 7 -2.262 17.776 7.549 40 HB2 ASN 7 HB2 ASN 7 -1.058 17.986 4.822 41 HB3 ASN 7 HB1 ASN 7 -2.789 17.663 4.934 42 HD21 ASN 7 HD21 ASN 7 -0.281 19.835 6.178 43 HD22 ASN 7 HD22 ASN 7 -1.285 21.240 6.240 44 H LYS 8 HN LYS 8 -3.817 16.264 7.694 45 HA LYS 8 HA LYS 8 -3.349 13.574 7.706 46 HB2 LYS 8 HB2 LYS 8 -5.415 14.687 8.560 47 HB3 LYS 8 HB1 LYS 8 -5.972 14.850 6.902 48 HG2 LYS 8 HG2 LYS 8 -7.007 12.953 8.049 49 HG3 LYS 8 HG1 LYS 8 -6.053 12.447 6.653 50 HD2 LYS 8 HD2 LYS 8 -5.681 10.964 8.557 51 HD3 LYS 8 HD1 LYS 8 -4.206 11.834 8.133 52 HE2 LYS 8 HE2 LYS 8 -4.122 12.877 10.112 53 HE3 LYS 8 HE1 LYS 8 -5.848 13.234 10.095 54 HZ1 LYS 8 HZ1 LYS 8 -6.324 11.414 11.299 55 HZ2 LYS 8 HZ2 LYS 8 -4.707 11.524 11.786 56 HZ3 LYS 8 HZ3 LYS 8 -5.147 10.456 10.550 57 H ILE 9 HN ILE 9 -2.252 12.627 6.032 58 HA ILE 9 HA ILE 9 -2.442 13.222 3.355 59 HB ILE 9 HB ILE 9 -1.846 10.815 2.850 60 HG12 ILE 9 HG12 ILE 9 -0.938 9.672 5.005 61 HG13 ILE 9 HG11 ILE 9 -2.134 10.665 5.834 62 HG21 ILE 9 HG21 ILE 9 0.410 11.083 3.781 63 HG22 ILE 9 HG22 ILE 9 -0.199 12.360 4.824 64 HG23 ILE 9 HG23 ILE 9 -0.208 12.578 3.079 65 HD11 ILE 9 HD11 ILE 9 -3.377 9.380 3.619 66 HD12 ILE 9 HD12 ILE 9 -3.711 9.200 5.341 67 HD13 ILE 9 HD13 ILE 9 -2.497 8.182 4.567 68 H LEU 10 HN LEU 10 -3.962 13.213 1.930 69 HA LEU 10 HA LEU 10 -6.446 11.853 2.509 70 HB2 LEU 10 HB2 LEU 10 -7.295 13.165 0.556 71 HB3 LEU 10 HB1 LEU 10 -6.678 14.125 1.888 72 HG LEU 10 HG LEU 10 -6.112 14.739 -0.601 73 HD11 LEU 10 HD11 LEU 10 -5.121 16.252 0.695 74 HD12 LEU 10 HD12 LEU 10 -3.666 15.273 0.511 75 HD13 LEU 10 HD13 LEU 10 -4.701 15.059 1.923 76 HD21 LEU 10 HD21 LEU 10 -5.155 12.584 -1.213 77 HD22 LEU 10 HD22 LEU 10 -3.929 12.761 0.042 78 HD23 LEU 10 HD23 LEU 10 -3.954 13.869 -1.329 79 H GLU 11 HN GLU 11 -3.811 10.697 1.311 80 HA GLU 11 HA GLU 11 -4.897 8.507 0.019 81 HB2 GLU 11 HB2 GLU 11 -4.523 8.883 -2.320 82 HB3 GLU 11 HB1 GLU 11 -5.535 10.187 -1.722 83 HG2 GLU 11 HG2 GLU 11 -3.209 11.391 -1.423 84 HG3 GLU 11 HG1 GLU 11 -2.727 10.245 -2.672 85 H GLN 12 HN GLN 12 -2.713 9.168 1.813 86 HA GLN 12 HA GLN 12 -0.488 8.069 0.231 87 HB2 GLN 12 HB2 GLN 12 -0.078 9.779 2.663 88 HB3 GLN 12 HB1 GLN 12 1.097 9.335 1.445 89 HG2 GLN 12 HG2 GLN 12 -1.282 11.023 0.771 90 HG3 GLN 12 HG1 GLN 12 0.181 11.721 1.465 91 HE21 GLN 12 HE21 GLN 12 -0.674 9.420 -1.115 92 HE22 GLN 12 HE22 GLN 12 0.402 10.086 -2.286 93 H GLY 13 HN GLY 13 -0.430 8.545 3.718 94 HA2 GLY 13 HA2 GLY 13 -0.522 7.016 5.459 95 HA3 GLY 13 HA1 GLY 13 -1.048 5.792 4.310 96 H GLU 14 HN GLU 14 1.731 7.600 3.504 97 HA GLU 14 HA GLU 14 3.945 6.694 4.615 98 HB2 GLU 14 HB2 GLU 14 2.618 4.383 3.360 99 HB3 GLU 14 HB1 GLU 14 4.294 4.594 2.880 100 HG2 GLU 14 HG2 GLU 14 4.810 4.757 5.369 101 HG3 GLU 14 HG1 GLU 14 3.190 4.111 5.620 102 H ASP 15 HN ASP 15 2.187 7.218 1.727 103 HA ASP 15 HA ASP 15 4.114 7.295 -0.234 104 HB2 ASP 15 HB2 ASP 15 1.457 8.054 0.011 105 HB3 ASP 15 HB1 ASP 15 2.283 9.557 -0.381 106 H CYS 16 HN CYS 16 2.933 10.254 1.372 107 HA CYS 16 HA CYS 16 5.458 11.207 2.158 108 HB2 CYS 16 HB2 CYS 16 5.697 11.209 -0.353 109 HB3 CYS 16 HB1 CYS 16 4.463 12.462 -0.404 110 H ASP 17 HN ASP 17 4.776 12.245 3.869 111 HA ASP 17 HA ASP 17 4.055 14.122 5.010 112 HB2 ASP 17 HB2 ASP 17 3.386 14.950 2.507 113 HB3 ASP 17 HB1 ASP 17 1.792 14.795 3.241 114 H CYS 18 HN CYS 18 3.329 11.520 5.467 115 HA CYS 18 HA CYS 18 0.890 10.542 5.639 116 HB2 CYS 18 HB2 CYS 18 3.191 10.312 7.251 117 HB3 CYS 18 HB1 CYS 18 1.830 10.499 8.358 118 H GLY 19 HN GLY 19 1.857 13.388 7.503 119 HA2 GLY 19 HA2 GLY 19 0.505 14.996 8.484 120 HA3 GLY 19 HA1 GLY 19 -0.865 14.207 7.730 121 H SER 20 HN SER 20 -1.462 12.033 8.763 122 HA SER 20 HA SER 20 -2.296 12.484 11.348 123 HB2 SER 20 HB2 SER 20 -2.775 10.092 11.485 124 HB3 SER 20 HB1 SER 20 -3.272 10.768 9.936 125 HG SER 20 HG SER 20 -0.775 9.488 10.318 126 HA PRO 21 HA PRO 21 1.705 12.359 13.333 127 HB2 PRO 21 HB2 PRO 21 -0.049 12.709 15.710 128 HB3 PRO 21 HB1 PRO 21 1.365 13.644 15.207 129 HG2 PRO 21 HG2 PRO 21 -1.093 14.633 14.912 130 HG3 PRO 21 HG1 PRO 21 0.153 14.904 13.679 131 HD2 PRO 21 HD2 PRO 21 -2.142 12.983 13.663 132 HD3 PRO 21 HD1 PRO 21 -1.485 13.952 12.332 133 H ALA 22 HN ALA 22 -1.107 10.429 14.061 134 HA ALA 22 HA ALA 22 -0.068 8.730 16.014 135 HB1 ALA 22 HB1 ALA 22 -2.145 8.390 13.887 136 HB2 ALA 22 HB2 ALA 22 -2.338 8.456 15.639 137 HB3 ALA 22 HB3 ALA 22 -1.659 7.016 14.880 138 H ASN 23 HN ASN 23 0.739 9.086 12.702 139 HA ASN 23 HA ASN 23 2.412 6.671 12.823 140 HB2 ASN 23 HB2 ASN 23 1.212 7.871 10.319 141 HB3 ASN 23 HB1 ASN 23 2.083 6.344 10.461 142 HD21 ASN 23 HD21 ASN 23 -0.781 8.028 11.677 143 HD22 ASN 23 HD22 ASN 23 -1.779 6.621 11.776 144 H CYS 24 HN CYS 24 2.831 9.690 13.376 145 HA CYS 24 HA CYS 24 4.653 10.587 11.366 146 HB2 CYS 24 HB2 CYS 24 3.333 11.795 13.463 147 HB3 CYS 24 HB1 CYS 24 4.994 11.765 14.033 148 H GLN 25 HN GLN 25 6.376 9.301 11.011 149 HA GLN 25 HA GLN 25 8.223 8.005 11.398 150 HB2 GLN 25 HB2 GLN 25 9.780 9.258 13.160 151 HB3 GLN 25 HB1 GLN 25 9.535 9.864 11.531 152 HG2 GLN 25 HG2 GLN 25 7.756 11.352 12.407 153 HG3 GLN 25 HG1 GLN 25 8.158 10.804 14.035 154 HE21 GLN 25 HE21 GLN 25 10.056 11.786 11.198 155 HE22 GLN 25 HE22 GLN 25 11.010 12.961 12.031 156 H ASP 26 HN ASP 26 6.110 6.959 12.798 157 HA ASP 26 HA ASP 26 7.503 5.751 15.057 158 HB2 ASP 26 HB2 ASP 26 6.181 7.611 16.016 159 HB3 ASP 26 HB1 ASP 26 4.722 6.914 15.320 160 H ARG 27 HN ARG 27 4.423 5.794 13.258 161 HA ARG 27 HA ARG 27 3.878 3.046 13.770 162 HB2 ARG 27 HB2 ARG 27 2.053 4.571 13.336 163 HB3 ARG 27 HB1 ARG 27 2.707 4.968 11.755 164 HG2 ARG 27 HG2 ARG 27 1.445 3.370 10.888 165 HG3 ARG 27 HG1 ARG 27 2.400 2.182 11.777 166 HD2 ARG 27 HD2 ARG 27 0.726 3.082 13.719 167 HD3 ARG 27 HD1 ARG 27 -0.303 3.209 12.294 168 HE ARG 27 HE ARG 27 0.907 0.702 12.240 169 HH11 ARG 27 HH11 ARG 27 -1.366 2.465 14.215 170 HH12 ARG 27 HH12 ARG 27 -2.206 1.044 14.737 171 HH21 ARG 27 HH21 ARG 27 -0.197 -1.169 12.925 172 HH22 ARG 27 HH22 ARG 27 -1.543 -1.019 14.005 173 H CYS 28 HN CYS 28 3.997 4.328 10.476 174 HA CYS 28 HA CYS 28 6.229 2.649 9.754 175 HB2 CYS 28 HB2 CYS 28 3.759 1.445 9.698 176 HB3 CYS 28 HB1 CYS 28 3.930 2.017 8.042 177 H CYS 29 HN CYS 29 5.287 5.505 9.624 178 HA CYS 29 HA CYS 29 6.156 5.967 6.892 179 HB2 CYS 29 HB2 CYS 29 4.296 7.381 6.286 180 HB3 CYS 29 HB1 CYS 29 3.679 5.796 6.740 181 H ASN 30 HN ASN 30 6.431 8.324 6.460 182 HA ASN 30 HA ASN 30 7.296 9.704 8.916 183 HB2 ASN 30 HB2 ASN 30 8.457 9.694 6.141 184 HB3 ASN 30 HB1 ASN 30 8.801 10.971 7.286 185 HD21 ASN 30 HD21 ASN 30 9.125 9.765 9.621 186 HD22 ASN 30 HD22 ASN 30 10.419 8.620 9.571 187 H ALA 31 HN ALA 31 5.582 10.868 9.377 188 HA ALA 31 HA ALA 31 4.168 12.399 7.371 189 HB1 ALA 31 HB1 ALA 31 3.403 13.322 9.894 190 HB2 ALA 31 HB2 ALA 31 3.691 11.598 10.099 191 HB3 ALA 31 HB3 ALA 31 2.550 12.163 8.883 192 H ALA 32 HN ALA 32 6.836 12.733 9.455 193 HA ALA 32 HA ALA 32 6.884 15.658 9.145 194 HB1 ALA 32 HB1 ALA 32 8.534 15.678 10.904 195 HB2 ALA 32 HB2 ALA 32 8.620 13.915 10.894 196 HB3 ALA 32 HB3 ALA 32 7.146 14.725 11.432 197 H THR 33 HN THR 33 8.211 12.728 8.037 198 HA THR 33 HA THR 33 10.452 14.104 6.740 199 HB THR 33 HB THR 33 10.584 11.231 6.556 200 HG1 THR 33 HG1 THR 33 10.986 11.066 8.931 201 HG21 THR 33 HG21 THR 33 12.314 13.017 8.201 202 HG22 THR 33 HG22 THR 33 12.451 12.902 6.445 203 HG23 THR 33 HG23 THR 33 12.721 11.476 7.447 204 H CYS 34 HN CYS 34 7.455 13.546 6.072 205 HA CYS 34 HA CYS 34 6.178 12.910 4.303 206 HB2 CYS 34 HB2 CYS 34 7.359 15.148 3.784 207 HB3 CYS 34 HB1 CYS 34 8.277 14.211 2.609 208 H LYS 35 HN LYS 35 7.315 10.582 4.833 209 HA LYS 35 HA LYS 35 7.377 9.319 2.318 210 HB2 LYS 35 HB2 LYS 35 9.770 10.500 2.773 211 HB3 LYS 35 HB1 LYS 35 10.052 8.900 3.446 212 HG2 LYS 35 HG2 LYS 35 10.701 8.560 1.285 213 HG3 LYS 35 HG1 LYS 35 8.999 8.103 1.182 214 HD2 LYS 35 HD2 LYS 35 9.482 9.516 -0.680 215 HD3 LYS 35 HD1 LYS 35 8.503 10.447 0.455 216 HE2 LYS 35 HE2 LYS 35 11.001 11.037 1.322 217 HE3 LYS 35 HE1 LYS 35 11.290 10.828 -0.404 218 HZ1 LYS 35 HZ1 LYS 35 9.609 12.813 0.967 219 HZ2 LYS 35 HZ2 LYS 35 9.232 12.362 -0.619 220 HZ3 LYS 35 HZ3 LYS 35 10.742 13.039 -0.269 221 H LEU 36 HN LEU 36 7.516 7.076 2.372 222 HA LEU 36 HA LEU 36 6.506 5.832 4.670 223 HB2 LEU 36 HB2 LEU 36 7.081 3.703 3.545 224 HB3 LEU 36 HB1 LEU 36 6.226 4.822 2.500 225 HG LEU 36 HG LEU 36 9.042 5.228 2.179 226 HD11 LEU 36 HD11 LEU 36 9.289 2.943 2.995 227 HD12 LEU 36 HD12 LEU 36 9.679 3.057 1.278 228 HD13 LEU 36 HD13 LEU 36 8.131 2.381 1.787 229 HD21 LEU 36 HD21 LEU 36 6.885 4.161 0.363 230 HD22 LEU 36 HD22 LEU 36 8.496 4.650 -0.162 231 HD23 LEU 36 HD23 LEU 36 7.394 5.842 0.529 232 H THR 37 HN THR 37 7.487 4.527 6.274 233 HA THR 37 HA THR 37 10.098 5.385 7.026 234 HB THR 37 HB THR 37 9.765 3.473 8.777 235 HG1 THR 37 HG1 THR 37 8.063 2.419 7.821 236 HG21 THR 37 HG21 THR 37 8.114 4.916 10.028 237 HG22 THR 37 HG22 THR 37 8.147 5.988 8.627 238 HG23 THR 37 HG23 THR 37 9.628 5.674 9.535 239 HA PRO 38 HA PRO 38 12.935 2.476 5.413 240 HB2 PRO 38 HB2 PRO 38 14.196 1.590 7.718 241 HB3 PRO 38 HB1 PRO 38 14.593 3.075 6.852 242 HG2 PRO 38 HG2 PRO 38 12.880 2.691 9.269 243 HG3 PRO 38 HG1 PRO 38 14.056 3.972 8.918 244 HD2 PRO 38 HD2 PRO 38 11.440 4.412 8.662 245 HD3 PRO 38 HD1 PRO 38 12.595 5.092 7.496 246 H GLY 39 HN GLY 39 12.957 0.358 4.852 247 HA2 GLY 39 HA2 GLY 39 12.739 -1.968 5.241 248 HA3 GLY 39 HA1 GLY 39 11.781 -1.613 6.671 249 H SER 40 HN SER 40 10.133 0.346 5.150 250 HA SER 40 HA SER 40 8.115 -1.477 4.304 251 HB2 SER 40 HB2 SER 40 7.673 0.762 5.349 252 HB3 SER 40 HB1 SER 40 8.203 1.511 3.843 253 HG SER 40 HG SER 40 6.385 0.953 2.917 254 H GLN 41 HN GLN 41 7.885 -2.405 2.388 255 HA GLN 41 HA GLN 41 9.606 -1.735 0.200 256 HB2 GLN 41 HB2 GLN 41 7.541 -3.802 0.753 257 HB3 GLN 41 HB1 GLN 41 7.891 -3.449 -0.934 258 HG2 GLN 41 HG2 GLN 41 10.394 -3.702 0.079 259 HG3 GLN 41 HG1 GLN 41 9.497 -4.845 1.077 260 HE21 GLN 41 HE21 GLN 41 8.280 -6.506 -0.010 261 HE22 GLN 41 HE22 GLN 41 8.810 -7.089 -1.547 262 H CYS 42 HN CYS 42 6.302 -1.053 1.079 263 HA CYS 42 HA CYS 42 6.127 0.876 -1.085 264 HB2 CYS 42 HB2 CYS 42 3.912 0.032 -1.820 265 HB3 CYS 42 HB1 CYS 42 5.222 -1.094 -2.157 266 H ASN 43 HN ASN 43 4.545 2.466 -0.765 267 HA ASN 43 HA ASN 43 3.932 2.944 2.004 268 HB2 ASN 43 HB2 ASN 43 2.840 5.043 1.049 269 HB3 ASN 43 HB1 ASN 43 4.571 4.869 0.774 270 HD21 ASN 43 HD21 ASN 43 5.119 5.534 -1.159 271 HD22 ASN 43 HD22 ASN 43 4.211 5.318 -2.613 272 H TYR 44 HN TYR 44 2.235 1.897 -0.850 273 HA TYR 44 HA TYR 44 0.131 0.698 0.526 274 HB2 TYR 44 HB2 TYR 44 -1.738 2.175 0.133 275 HB3 TYR 44 HB1 TYR 44 -0.509 3.061 1.027 276 HD1 TYR 44 HD2 TYR 44 -1.828 2.513 -2.405 277 HD2 TYR 44 HD1 TYR 44 0.296 5.102 0.216 278 HE1 TYR 44 HE2 TYR 44 -1.857 4.263 -4.126 279 HE2 TYR 44 HE1 TYR 44 0.272 6.865 -1.491 280 HH TYR 44 HH TYR 44 0.092 6.920 -4.080 281 H GLY 45 HN GLY 45 -1.778 0.227 -1.044 282 HA2 GLY 45 HA2 GLY 45 -2.101 0.397 -3.611 283 HA3 GLY 45 HA1 GLY 45 -0.550 -0.428 -3.632 284 H GLU 46 HN GLU 46 -2.304 -1.760 -4.942 285 HA GLU 46 HA GLU 46 -4.139 -3.382 -3.591 286 HB2 GLU 46 HB2 GLU 46 -2.678 -3.570 -6.190 287 HB3 GLU 46 HB1 GLU 46 -3.565 -4.975 -5.616 288 HG2 GLU 46 HG2 GLU 46 -5.337 -4.093 -6.617 289 HG3 GLU 46 HG1 GLU 46 -5.372 -2.928 -5.294 290 H CYS 47 HN CYS 47 -0.709 -3.827 -4.249 291 HA CYS 47 HA CYS 47 -0.702 -6.428 -2.930 292 HB2 CYS 47 HB2 CYS 47 1.182 -4.896 -4.647 293 HB3 CYS 47 HB1 CYS 47 1.869 -6.065 -3.528 294 H CYS 48 HN CYS 48 -0.389 -3.223 -1.992 295 HA CYS 48 HA CYS 48 1.699 -3.588 -0.056 296 HB2 CYS 48 HB2 CYS 48 0.644 -1.405 -1.283 297 HB3 CYS 48 HB1 CYS 48 -0.127 -1.305 0.297 298 H ASP 49 HN ASP 49 1.557 -4.144 2.006 299 HA ASP 49 HA ASP 49 -1.022 -4.107 3.372 300 HB2 ASP 49 HB2 ASP 49 -0.513 -6.403 2.264 301 HB3 ASP 49 HB1 ASP 49 0.678 -6.581 3.549 302 H GLN 50 HN GLN 50 -0.531 -2.766 4.997 303 HA GLN 50 HA GLN 50 0.379 -2.025 6.953 304 HB2 GLN 50 HB2 GLN 50 0.704 -4.696 7.161 305 HB3 GLN 50 HB1 GLN 50 2.389 -4.194 7.158 306 HG2 GLN 50 HG2 GLN 50 1.620 -2.512 8.978 307 HG3 GLN 50 HG1 GLN 50 0.241 -3.598 9.141 308 HE21 GLN 50 HE21 GLN 50 0.678 -5.828 9.653 309 HE22 GLN 50 HE22 GLN 50 2.081 -6.235 10.575 310 H CYS 51 HN CYS 51 3.122 -3.673 5.374 311 HA CYS 51 HA CYS 51 4.290 -1.250 4.449 312 HB2 CYS 51 HB2 CYS 51 4.950 -2.146 7.145 313 HB3 CYS 51 HB1 CYS 51 6.374 -1.994 6.122 314 H ARG 52 HN ARG 52 3.642 -3.976 3.553 315 HA ARG 52 HA ARG 52 6.144 -4.518 2.203 316 HB2 ARG 52 HB2 ARG 52 4.812 -6.640 3.898 317 HB3 ARG 52 HB1 ARG 52 6.143 -6.921 2.785 318 HG2 ARG 52 HG2 ARG 52 6.262 -5.130 5.204 319 HG3 ARG 52 HG1 ARG 52 6.863 -6.787 5.130 320 HD2 ARG 52 HD2 ARG 52 7.803 -4.657 3.230 321 HD3 ARG 52 HD1 ARG 52 8.559 -4.911 4.802 322 HE ARG 52 HE ARG 52 8.937 -6.473 2.469 323 HH11 ARG 52 HH11 ARG 52 8.688 -6.731 5.940 324 HH12 ARG 52 HH12 ARG 52 9.653 -8.166 6.028 325 HH21 ARG 52 HH21 ARG 52 10.207 -8.360 2.583 326 HH22 ARG 52 HH22 ARG 52 10.516 -9.091 4.122 327 H PHE 53 HN PHE 53 5.819 -6.373 0.584 328 HA PHE 53 HA PHE 53 3.320 -5.861 -0.793 329 HB2 PHE 53 HB2 PHE 53 5.855 -7.295 -1.555 330 HB3 PHE 53 HB1 PHE 53 4.405 -7.409 -2.549 331 HD1 PHE 53 HD1 PHE 53 3.429 -4.569 -2.130 332 HD2 PHE 53 HD2 PHE 53 7.267 -6.160 -3.051 333 HE1 PHE 53 HE1 PHE 53 4.025 -2.469 -3.240 334 HE2 PHE 53 HE2 PHE 53 7.873 -4.053 -4.168 335 HZ PHE 53 HZ PHE 53 6.251 -2.201 -4.264 336 H LYS 54 HN LYS 54 1.787 -7.377 -1.347 337 HA LYS 54 HA LYS 54 1.365 -9.472 0.520 338 HB2 LYS 54 HB2 LYS 54 0.023 -8.966 -2.144 339 HB3 LYS 54 HB1 LYS 54 -0.559 -10.072 -0.907 340 HG2 LYS 54 HG2 LYS 54 -0.100 -7.302 -0.026 341 HG3 LYS 54 HG1 LYS 54 -1.410 -7.537 -1.185 342 HD2 LYS 54 HD2 LYS 54 -2.334 -9.301 0.297 343 HD3 LYS 54 HD1 LYS 54 -1.077 -8.920 1.476 344 HE2 LYS 54 HE2 LYS 54 -2.646 -7.540 2.317 345 HE3 LYS 54 HE1 LYS 54 -2.091 -6.460 1.039 346 HZ1 LYS 54 HZ1 LYS 54 -3.970 -6.755 -0.151 347 HZ2 LYS 54 HZ2 LYS 54 -4.629 -7.118 1.363 348 HZ3 LYS 54 HZ3 LYS 54 -4.170 -8.368 0.320 349 H LYS 55 HN LYS 55 2.740 -11.154 0.555 350 HA LYS 55 HA LYS 55 4.436 -12.194 -1.202 351 HB2 LYS 55 HB2 LYS 55 4.037 -13.144 1.033 352 HB3 LYS 55 HB1 LYS 55 2.553 -13.886 0.450 353 HG2 LYS 55 HG2 LYS 55 3.954 -15.143 -1.212 354 HG3 LYS 55 HG1 LYS 55 5.373 -14.538 -0.356 355 HD2 LYS 55 HD2 LYS 55 5.050 -16.586 0.659 356 HD3 LYS 55 HD1 LYS 55 4.176 -15.505 1.747 357 HE2 LYS 55 HE2 LYS 55 2.177 -16.084 0.104 358 HE3 LYS 55 HE1 LYS 55 3.142 -17.535 -0.162 359 HZ1 LYS 55 HZ1 LYS 55 3.194 -17.539 2.437 360 HZ2 LYS 55 HZ2 LYS 55 1.872 -18.182 1.600 361 HZ3 LYS 55 HZ3 LYS 55 1.776 -16.631 2.268 362 H ALA 56 HN ALA 56 4.455 -13.034 -3.182 363 HA ALA 56 HA ALA 56 2.463 -12.994 -4.974 364 HB1 ALA 56 HB1 ALA 56 4.458 -13.532 -5.951 365 HB2 ALA 56 HB2 ALA 56 3.639 -15.094 -6.012 366 HB3 ALA 56 HB3 ALA 56 4.836 -14.771 -4.755 367 H GLY 57 HN GLY 57 0.649 -14.049 -5.423 368 HA2 GLY 57 HA2 GLY 57 -0.543 -16.203 -5.530 369 HA3 GLY 57 HA1 GLY 57 0.140 -16.569 -3.950 370 H THR 58 HN THR 58 -0.390 -13.506 -3.479 371 HA THR 58 HA THR 58 -2.920 -13.922 -2.167 372 HB THR 58 HB THR 58 -1.250 -11.408 -2.462 373 HG1 THR 58 HG1 THR 58 -1.429 -13.280 -0.334 374 HG21 THR 58 HG21 THR 58 -2.829 -11.513 -0.088 375 HG22 THR 58 HG22 THR 58 -3.868 -11.697 -1.504 376 HG23 THR 58 HG23 THR 58 -2.802 -10.295 -1.364 377 H VAL 59 HN VAL 59 -4.822 -13.699 -3.172 378 HA VAL 59 HA VAL 59 -4.975 -12.479 -5.755 379 HB VAL 59 HB VAL 59 -6.353 -14.437 -5.216 380 HG11 VAL 59 HG11 VAL 59 -6.799 -13.279 -2.817 381 HG12 VAL 59 HG12 VAL 59 -7.782 -14.583 -3.484 382 HG13 VAL 59 HG13 VAL 59 -8.312 -12.909 -3.645 383 HG21 VAL 59 HG21 VAL 59 -7.379 -11.941 -6.305 384 HG22 VAL 59 HG22 VAL 59 -8.653 -13.011 -5.720 385 HG23 VAL 59 HG23 VAL 59 -7.504 -13.586 -6.929 386 H CYS 60 HN CYS 60 -5.146 -10.365 -6.097 387 HA CYS 60 HA CYS 60 -6.315 -8.680 -4.002 388 HB2 CYS 60 HB2 CYS 60 -4.823 -7.753 -6.450 389 HB3 CYS 60 HB1 CYS 60 -5.199 -6.819 -5.008 390 H ARG 61 HN ARG 61 -6.834 -9.780 -7.248 391 HA ARG 61 HA ARG 61 -9.415 -8.421 -7.296 392 HB2 ARG 61 HB2 ARG 61 -7.237 -7.399 -8.716 393 HB3 ARG 61 HB1 ARG 61 -8.180 -8.265 -9.921 394 HG2 ARG 61 HG2 ARG 61 -10.162 -6.941 -8.749 395 HG3 ARG 61 HG1 ARG 61 -8.846 -5.833 -8.368 396 HD2 ARG 61 HD2 ARG 61 -10.059 -6.531 -10.986 397 HD3 ARG 61 HD1 ARG 61 -9.497 -4.976 -10.383 398 HE ARG 61 HE ARG 61 -8.062 -6.717 -12.044 399 HH11 ARG 61 HH11 ARG 61 -7.572 -4.716 -9.222 400 HH12 ARG 61 HH12 ARG 61 -5.880 -4.508 -9.514 401 HH21 ARG 61 HH21 ARG 61 -5.841 -6.445 -12.423 402 HH22 ARG 61 HH22 ARG 61 -4.896 -5.485 -11.333 403 H ILE 62 HN ILE 62 -10.451 -9.052 -9.601 404 HA ILE 62 HA ILE 62 -9.867 -11.496 -10.788 405 HB ILE 62 HB ILE 62 -10.372 -12.549 -8.670 406 HG12 ILE 62 HG12 ILE 62 -12.241 -14.033 -9.379 407 HG13 ILE 62 HG11 ILE 62 -12.590 -12.915 -10.693 408 HG21 ILE 62 HG21 ILE 62 -11.965 -10.561 -8.065 409 HG22 ILE 62 HG22 ILE 62 -12.226 -12.163 -7.375 410 HG23 ILE 62 HG23 ILE 62 -13.199 -11.622 -8.745 411 HD11 ILE 62 HD11 ILE 62 -10.240 -13.317 -11.497 412 HD12 ILE 62 HD12 ILE 62 -11.345 -14.686 -11.617 413 HD13 ILE 62 HD13 ILE 62 -10.154 -14.625 -10.318 414 H ALA 63 HN ALA 63 -11.057 -11.704 -12.579 415 HA ALA 63 HA ALA 63 -12.761 -9.611 -13.345 416 HB1 ALA 63 HB1 ALA 63 -12.165 -10.388 -15.324 417 HB2 ALA 63 HB2 ALA 63 -13.252 -11.754 -15.091 418 HB3 ALA 63 HB3 ALA 63 -11.561 -11.877 -14.601 419 H ARG 64 HN ARG 64 -14.091 -12.794 -13.957 420 HA ARG 64 HA ARG 64 -16.195 -12.357 -11.982 421 HB2 ARG 64 HB2 ARG 64 -16.682 -11.446 -14.440 422 HB3 ARG 64 HB1 ARG 64 -17.103 -13.132 -14.708 423 HG2 ARG 64 HG2 ARG 64 -19.082 -11.907 -14.141 424 HG3 ARG 64 HG1 ARG 64 -18.683 -12.999 -12.813 425 HD2 ARG 64 HD2 ARG 64 -17.773 -11.206 -11.521 426 HD3 ARG 64 HD1 ARG 64 -17.894 -10.093 -12.883 427 HE ARG 64 HE ARG 64 -20.107 -9.774 -12.386 428 HH11 ARG 64 HH11 ARG 64 -18.955 -12.588 -10.673 429 HH12 ARG 64 HH12 ARG 64 -20.396 -12.758 -9.729 430 HH21 ARG 64 HH21 ARG 64 -22.003 -9.996 -11.144 431 HH22 ARG 64 HH22 ARG 64 -22.127 -11.287 -9.996 432 H GLY 65 HN GLY 65 -15.289 -14.195 -10.923 433 HA2 GLY 65 HA2 GLY 65 -16.251 -16.501 -10.693 434 HA3 GLY 65 HA1 GLY 65 -15.755 -16.730 -12.364 435 H ASP 66 HN ASP 66 -13.763 -17.433 -12.790 436 HA ASP 66 HA ASP 66 -11.470 -16.984 -11.303 437 HB2 ASP 66 HB2 ASP 66 -11.189 -19.308 -10.299 438 HB3 ASP 66 HB1 ASP 66 -12.324 -18.239 -9.480 439 H TRP 67 HN TRP 67 -10.594 -16.802 -13.312 440 HA TRP 67 HA TRP 67 -10.240 -19.310 -14.822 441 HB2 TRP 67 HB2 TRP 67 -9.696 -17.142 -16.543 442 HB3 TRP 67 HB1 TRP 67 -11.065 -18.244 -16.616 443 HD1 TRP 67 HD1 TRP 67 -10.195 -14.945 -14.699 444 HE1 TRP 67 HE1 TRP 67 -12.334 -13.551 -14.570 445 HE3 TRP 67 HE3 TRP 67 -13.404 -18.168 -17.019 446 HZ2 TRP 67 HZ2 TRP 67 -15.027 -13.764 -15.359 447 HZ3 TRP 67 HZ3 TRP 67 -15.756 -17.492 -17.301 448 HH2 TRP 67 HH2 TRP 67 -16.550 -15.330 -16.485 449 H ASN 68 HN ASN 68 -8.804 -16.099 -14.775 450 HA ASN 68 HA ASN 68 -6.123 -17.292 -14.690 451 HB2 ASN 68 HB2 ASN 68 -6.613 -14.394 -15.250 452 HB3 ASN 68 HB1 ASN 68 -5.319 -15.438 -15.831 453 HD21 ASN 68 HD21 ASN 68 -8.799 -14.858 -16.109 454 HD22 ASN 68 HD22 ASN 68 -8.933 -15.369 -17.753 455 H ASP 69 HN ASP 69 -8.342 -15.137 -13.107 456 HA ASP 69 HA ASP 69 -8.357 -14.170 -11.055 457 HB2 ASP 69 HB2 ASP 69 -6.199 -16.212 -10.674 458 HB3 ASP 69 HB1 ASP 69 -6.643 -15.094 -9.392 459 H ASP 70 HN ASP 70 -7.048 -12.899 -9.501 460 HA ASP 70 HA ASP 70 -4.810 -11.573 -10.860 461 HB2 ASP 70 HB2 ASP 70 -6.872 -10.154 -10.681 462 HB3 ASP 70 HB1 ASP 70 -6.754 -10.301 -8.934 463 H TYR 71 HN TYR 71 -2.955 -11.981 -9.860 464 HA TYR 71 HA TYR 71 -3.029 -12.272 -6.936 465 HB2 TYR 71 HB2 TYR 71 -1.751 -14.058 -8.976 466 HB3 TYR 71 HB1 TYR 71 -1.219 -14.034 -7.297 467 HD1 TYR 71 HD1 TYR 71 -2.955 -14.442 -5.518 468 HD2 TYR 71 HD2 TYR 71 -3.595 -15.359 -9.608 469 HE1 TYR 71 HE1 TYR 71 -4.728 -15.989 -4.864 470 HE2 TYR 71 HE2 TYR 71 -5.385 -16.917 -8.995 471 HH TYR 71 HH TYR 71 -5.876 -17.992 -5.817 472 H CYS 72 HN CYS 72 -1.329 -11.606 -5.776 473 HA CYS 72 HA CYS 72 0.311 -9.566 -6.871 474 HB2 CYS 72 HB2 CYS 72 -0.528 -9.830 -4.456 475 HB3 CYS 72 HB1 CYS 72 0.806 -10.962 -4.251 476 H THR 73 HN THR 73 2.711 -9.575 -6.711 477 HA THR 73 HA THR 73 3.806 -12.240 -7.326 478 HB THR 73 HB THR 73 5.112 -11.368 -9.067 479 HG1 THR 73 HG1 THR 73 5.964 -9.546 -8.176 480 HG21 THR 73 HG21 THR 73 3.574 -10.799 -10.586 481 HG22 THR 73 HG22 THR 73 2.975 -9.447 -9.624 482 HG23 THR 73 HG23 THR 73 2.431 -11.088 -9.273 483 H GLY 74 HN GLY 74 3.771 -10.135 -4.943 484 HA2 GLY 74 HA2 GLY 74 5.199 -9.516 -3.258 485 HA3 GLY 74 HA1 GLY 74 6.025 -11.021 -3.626 486 H LYS 75 HN LYS 75 5.812 -8.544 -6.052 487 HA LYS 75 HA LYS 75 8.537 -7.652 -5.442 488 HB2 LYS 75 HB2 LYS 75 7.671 -8.483 -8.211 489 HB3 LYS 75 HB1 LYS 75 9.276 -7.966 -7.711 490 HG2 LYS 75 HG2 LYS 75 8.705 -10.108 -6.047 491 HG3 LYS 75 HG1 LYS 75 8.061 -10.588 -7.618 492 HD2 LYS 75 HD2 LYS 75 10.200 -10.172 -8.665 493 HD3 LYS 75 HD1 LYS 75 10.855 -9.550 -7.149 494 HE2 LYS 75 HE2 LYS 75 9.981 -12.373 -7.744 495 HE3 LYS 75 HE1 LYS 75 11.624 -11.803 -7.448 496 HZ1 LYS 75 HZ1 LYS 75 10.660 -11.055 -5.197 497 HZ2 LYS 75 HZ2 LYS 75 11.010 -12.694 -5.427 498 HZ3 LYS 75 HZ3 LYS 75 9.413 -12.149 -5.533 499 H SER 76 HN SER 76 5.531 -6.641 -5.714 500 HA SER 76 HA SER 76 6.233 -3.963 -6.286 501 HB2 SER 76 HB2 SER 76 5.124 -5.600 -8.508 502 HB3 SER 76 HB1 SER 76 4.487 -3.967 -8.318 503 HG SER 76 HG SER 76 7.051 -4.817 -9.010 504 H SER 77 HN SER 77 4.245 -2.542 -6.433 505 HA SER 77 HA SER 77 2.342 -3.449 -4.433 506 HB2 SER 77 HB2 SER 77 1.851 -1.208 -4.054 507 HB3 SER 77 HB1 SER 77 3.533 -1.117 -4.574 508 HG SER 77 HG SER 77 2.931 -0.259 -6.448 509 H ASP 78 HN ASP 78 2.439 -4.074 -7.536 510 HA ASP 78 HA ASP 78 -0.394 -3.459 -8.037 511 HB2 ASP 78 HB2 ASP 78 1.938 -3.853 -9.899 512 HB3 ASP 78 HB1 ASP 78 0.279 -4.016 -10.468 513 H CYS 79 HN CYS 79 -1.787 -5.061 -8.670 514 HA CYS 79 HA CYS 79 -0.778 -7.826 -8.437 515 HB2 CYS 79 HB2 CYS 79 -2.822 -6.471 -6.979 516 HB3 CYS 79 HB1 CYS 79 -3.590 -7.713 -7.962 517 HA PRO 80 HA PRO 80 -2.264 -7.660 -12.749 518 HB2 PRO 80 HB2 PRO 80 -1.059 -9.980 -13.506 519 HB3 PRO 80 HB1 PRO 80 -0.213 -8.430 -13.431 520 HG2 PRO 80 HG2 PRO 80 -0.252 -10.664 -11.437 521 HG3 PRO 80 HG1 PRO 80 1.123 -9.701 -12.011 522 HD2 PRO 80 HD2 PRO 80 -0.076 -9.210 -9.649 523 HD3 PRO 80 HD1 PRO 80 0.599 -7.908 -10.649 524 H TRP 81 HN TRP 81 -4.204 -8.343 -13.358 525 HA TRP 81 HA TRP 81 -5.388 -10.667 -12.067 526 HB2 TRP 81 HB2 TRP 81 -7.528 -9.860 -12.934 527 HB3 TRP 81 HB1 TRP 81 -6.700 -8.647 -11.972 528 HD1 TRP 81 HD1 TRP 81 -4.825 -8.097 -14.875 529 HE1 TRP 81 HE1 TRP 81 -5.903 -6.393 -16.470 530 HE3 TRP 81 HE3 TRP 81 -9.573 -8.230 -13.075 531 HZ2 TRP 81 HZ2 TRP 81 -8.454 -5.254 -16.895 532 HZ3 TRP 81 HZ3 TRP 81 -11.295 -6.809 -14.124 533 HH2 TRP 81 HH2 TRP 81 -10.740 -5.351 -16.004 534 H ASN 82 HN ASN 82 -3.993 -9.854 -14.988 535 HA ASN 82 HA ASN 82 -3.694 -10.942 -16.962 536 HB2 ASN 82 HB2 ASN 82 -4.800 -13.288 -15.404 537 HB3 ASN 82 HB1 ASN 82 -3.993 -13.397 -16.965 538 HD21 ASN 82 HD21 ASN 82 -3.578 -12.590 -13.584 539 HD22 ASN 82 HD22 ASN 82 -1.865 -12.808 -13.546 540 H HIS 83 HN HIS 83 -6.026 -9.441 -16.707 541 HA HIS 83 HA HIS 83 -7.822 -10.932 -18.491 542 HB2 HIS 83 HB2 HIS 83 -8.801 -9.050 -16.341 543 HB3 HIS 83 HB1 HIS 83 -9.775 -10.075 -17.390 544 HD1 HIS 83 HD1 HIS 83 -9.363 -10.029 -14.100 545 HD2 HIS 83 HD2 HIS 83 -8.194 -12.908 -16.853 546 HE1 HIS 83 HE1 HIS 83 -9.129 -12.159 -12.786 547 HE2 HIS 83 HE2 HIS 83 -8.337 -13.865 -14.460 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 -7.788 23.085 14.713 2 H2 SER 1 HT2 SER 1 -8.228 21.549 15.339 3 H3 SER 1 HT3 SER 1 -9.064 22.199 13.989 4 HA SER 1 HA SER 1 -7.668 20.652 13.089 5 HB2 SER 1 HB2 SER 1 -5.902 23.059 12.869 6 HB3 SER 1 HB1 SER 1 -6.484 21.979 11.602 7 HG SER 1 HG SER 1 -8.605 22.919 12.024 8 HA PRO 2 HA PRO 2 -4.791 19.747 16.648 9 HB2 PRO 2 HB2 PRO 2 -5.137 17.099 15.322 10 HB3 PRO 2 HB1 PRO 2 -5.136 17.505 17.042 11 HG2 PRO 2 HG2 PRO 2 -7.416 16.974 15.778 12 HG3 PRO 2 HG1 PRO 2 -7.331 18.255 17.002 13 HD2 PRO 2 HD2 PRO 2 -7.437 18.477 14.029 14 HD3 PRO 2 HD1 PRO 2 -8.152 19.529 15.267 15 HA PRO 3 HA PRO 3 -0.957 19.765 14.461 16 HB2 PRO 3 HB2 PRO 3 -0.062 17.490 16.141 17 HB3 PRO 3 HB1 PRO 3 0.662 19.088 15.933 18 HG2 PRO 3 HG2 PRO 3 -0.637 18.457 18.175 19 HG3 PRO 3 HG1 PRO 3 -0.760 20.080 17.470 20 HD2 PRO 3 HD2 PRO 3 -2.722 17.824 17.396 21 HD3 PRO 3 HD1 PRO 3 -3.012 19.568 17.567 22 H VAL 4 HN VAL 4 -0.448 19.014 12.584 23 HA VAL 4 HA VAL 4 -0.521 16.184 12.035 24 HB VAL 4 HB VAL 4 -1.532 17.787 9.815 25 HG11 VAL 4 HG11 VAL 4 -2.012 15.168 11.109 26 HG12 VAL 4 HG12 VAL 4 -1.737 15.560 9.416 27 HG13 VAL 4 HG13 VAL 4 -3.317 15.847 10.140 28 HG21 VAL 4 HG21 VAL 4 -3.774 18.115 10.660 29 HG22 VAL 4 HG22 VAL 4 -2.622 18.980 11.677 30 HG23 VAL 4 HG23 VAL 4 -3.309 17.451 12.226 31 H CYS 5 HN CYS 5 1.699 16.204 11.963 32 HA CYS 5 HA CYS 5 3.233 18.127 10.560 33 HB2 CYS 5 HB2 CYS 5 5.002 16.202 10.627 34 HB3 CYS 5 HB1 CYS 5 4.486 16.941 12.137 35 H GLY 6 HN GLY 6 2.572 18.443 8.510 36 HA2 GLY 6 HA2 GLY 6 3.062 17.946 6.221 37 HA3 GLY 6 HA1 GLY 6 3.020 16.234 6.621 38 H ASN 7 HN ASN 7 0.535 18.118 8.027 39 HA ASN 7 HA ASN 7 -1.713 18.218 7.737 40 HB2 ASN 7 HB2 ASN 7 -0.694 18.275 4.930 41 HB3 ASN 7 HB1 ASN 7 -2.418 17.990 5.168 42 HD21 ASN 7 HD21 ASN 7 -3.709 19.657 5.669 43 HD22 ASN 7 HD22 ASN 7 -3.171 21.280 5.913 44 H LYS 8 HN LYS 8 -3.204 16.711 8.172 45 HA LYS 8 HA LYS 8 -2.800 14.033 8.255 46 HB2 LYS 8 HB2 LYS 8 -4.746 15.016 9.293 47 HB3 LYS 8 HB1 LYS 8 -5.402 15.482 7.732 48 HG2 LYS 8 HG2 LYS 8 -6.578 13.560 8.591 49 HG3 LYS 8 HG1 LYS 8 -5.664 13.111 7.150 50 HD2 LYS 8 HD2 LYS 8 -5.208 11.361 8.599 51 HD3 LYS 8 HD1 LYS 8 -3.820 12.424 8.838 52 HE2 LYS 8 HE2 LYS 8 -6.246 12.696 10.568 53 HE3 LYS 8 HE1 LYS 8 -5.056 11.438 10.901 54 HZ1 LYS 8 HZ1 LYS 8 -4.124 13.072 12.111 55 HZ2 LYS 8 HZ2 LYS 8 -4.850 14.317 11.225 56 HZ3 LYS 8 HZ3 LYS 8 -3.468 13.549 10.626 57 H ILE 9 HN ILE 9 -1.922 12.885 6.594 58 HA ILE 9 HA ILE 9 -2.288 13.357 3.897 59 HB ILE 9 HB ILE 9 -1.869 10.888 3.482 60 HG12 ILE 9 HG12 ILE 9 -0.773 9.817 5.566 61 HG13 ILE 9 HG11 ILE 9 -1.788 10.930 6.482 62 HG21 ILE 9 HG21 ILE 9 -0.120 12.496 3.342 63 HG22 ILE 9 HG22 ILE 9 0.498 11.104 4.233 64 HG23 ILE 9 HG23 ILE 9 0.017 12.559 5.095 65 HD11 ILE 9 HD11 ILE 9 -2.459 8.413 5.429 66 HD12 ILE 9 HD12 ILE 9 -3.384 9.612 4.527 67 HD13 ILE 9 HD13 ILE 9 -3.502 9.549 6.285 68 H LEU 10 HN LEU 10 -3.886 13.306 2.571 69 HA LEU 10 HA LEU 10 -6.405 12.188 3.425 70 HB2 LEU 10 HB2 LEU 10 -7.271 13.351 1.369 71 HB3 LEU 10 HB1 LEU 10 -6.555 14.383 2.592 72 HG LEU 10 HG LEU 10 -6.043 14.763 0.055 73 HD11 LEU 10 HD11 LEU 10 -4.525 15.192 2.489 74 HD12 LEU 10 HD12 LEU 10 -4.872 16.294 1.157 75 HD13 LEU 10 HD13 LEU 10 -3.510 15.180 1.046 76 HD21 LEU 10 HD21 LEU 10 -4.020 12.646 0.766 77 HD22 LEU 10 HD22 LEU 10 -3.944 13.692 -0.651 78 HD23 LEU 10 HD23 LEU 10 -5.267 12.541 -0.475 79 H GLU 11 HN GLU 11 -3.959 10.704 2.192 80 HA GLU 11 HA GLU 11 -5.260 8.476 1.231 81 HB2 GLU 11 HB2 GLU 11 -5.010 8.596 -1.189 82 HB3 GLU 11 HB1 GLU 11 -6.044 9.898 -0.623 83 HG2 GLU 11 HG2 GLU 11 -4.768 11.242 -1.845 84 HG3 GLU 11 HG1 GLU 11 -3.550 11.042 -0.583 85 H GLN 12 HN GLN 12 -2.895 9.155 2.727 86 HA GLN 12 HA GLN 12 -0.872 7.849 1.034 87 HB2 GLN 12 HB2 GLN 12 -0.193 9.693 3.304 88 HB3 GLN 12 HB1 GLN 12 0.861 9.111 2.033 89 HG2 GLN 12 HG2 GLN 12 -1.411 11.061 1.718 90 HG3 GLN 12 HG1 GLN 12 0.311 11.442 1.703 91 HE21 GLN 12 HE21 GLN 12 -0.048 12.397 -0.357 92 HE22 GLN 12 HE22 GLN 12 -0.149 11.416 -1.775 93 H GLY 13 HN GLY 13 -0.283 8.488 4.427 94 HA2 GLY 13 HA2 GLY 13 -0.319 7.054 6.268 95 HA3 GLY 13 HA1 GLY 13 -1.000 5.796 5.243 96 H GLU 14 HN GLU 14 1.622 7.319 3.836 97 HA GLU 14 HA GLU 14 3.952 6.365 4.832 98 HB2 GLU 14 HB2 GLU 14 4.317 4.191 4.242 99 HB3 GLU 14 HB1 GLU 14 2.581 4.101 4.439 100 HG2 GLU 14 HG2 GLU 14 4.047 4.448 1.837 101 HG3 GLU 14 HG1 GLU 14 3.299 2.964 2.422 102 H ASP 15 HN ASP 15 1.911 6.961 2.128 103 HA ASP 15 HA ASP 15 3.660 7.089 0.004 104 HB2 ASP 15 HB2 ASP 15 1.048 7.595 0.312 105 HB3 ASP 15 HB1 ASP 15 1.642 9.252 0.249 106 H CYS 16 HN CYS 16 2.648 9.901 1.977 107 HA CYS 16 HA CYS 16 5.121 10.925 2.563 108 HB2 CYS 16 HB2 CYS 16 5.929 11.301 0.471 109 HB3 CYS 16 HB1 CYS 16 4.327 11.392 -0.245 110 H ASP 17 HN ASP 17 4.876 12.559 3.926 111 HA ASP 17 HA ASP 17 4.064 14.386 5.003 112 HB2 ASP 17 HB2 ASP 17 1.962 14.526 2.831 113 HB3 ASP 17 HB1 ASP 17 2.324 15.776 4.014 114 H CYS 18 HN CYS 18 3.350 11.759 5.687 115 HA CYS 18 HA CYS 18 0.918 10.868 6.147 116 HB2 CYS 18 HB2 CYS 18 3.351 10.717 7.595 117 HB3 CYS 18 HB1 CYS 18 2.065 10.968 8.770 118 H GLY 19 HN GLY 19 2.097 13.839 7.640 119 HA2 GLY 19 HA2 GLY 19 0.906 15.541 8.656 120 HA3 GLY 19 HA1 GLY 19 -0.552 14.757 8.082 121 H SER 20 HN SER 20 -1.262 12.815 9.291 122 HA SER 20 HA SER 20 -1.726 13.419 11.929 123 HB2 SER 20 HB2 SER 20 -2.784 11.374 12.122 124 HB3 SER 20 HB1 SER 20 -2.832 11.664 10.385 125 HG SER 20 HG SER 20 -2.069 9.636 10.539 126 HA PRO 21 HA PRO 21 2.427 12.995 13.563 127 HB2 PRO 21 HB2 PRO 21 0.753 13.261 16.021 128 HB3 PRO 21 HB1 PRO 21 2.258 14.083 15.588 129 HG2 PRO 21 HG2 PRO 21 -0.073 15.349 15.381 130 HG3 PRO 21 HG1 PRO 21 1.191 15.570 14.157 131 HD2 PRO 21 HD2 PRO 21 -1.334 13.991 14.006 132 HD3 PRO 21 HD1 PRO 21 -0.487 14.875 12.727 133 H ALA 22 HN ALA 22 -0.429 11.163 14.460 134 HA ALA 22 HA ALA 22 0.672 9.276 16.175 135 HB1 ALA 22 HB1 ALA 22 -1.632 9.315 14.309 136 HB2 ALA 22 HB2 ALA 22 -1.580 8.980 16.040 137 HB3 ALA 22 HB3 ALA 22 -1.090 7.739 14.887 138 H ASN 23 HN ASN 23 1.089 9.740 12.781 139 HA ASN 23 HA ASN 23 2.841 7.383 12.673 140 HB2 ASN 23 HB2 ASN 23 1.078 8.402 10.433 141 HB3 ASN 23 HB1 ASN 23 2.180 7.031 10.340 142 HD21 ASN 23 HD21 ASN 23 -0.581 8.236 12.200 143 HD22 ASN 23 HD22 ASN 23 -1.320 6.692 12.432 144 H CYS 24 HN CYS 24 3.428 10.196 13.268 145 HA CYS 24 HA CYS 24 4.493 11.539 11.057 146 HB2 CYS 24 HB2 CYS 24 4.136 12.268 13.588 147 HB3 CYS 24 HB1 CYS 24 5.838 11.841 13.691 148 H GLN 25 HN GLN 25 5.552 8.734 12.601 149 HA GLN 25 HA GLN 25 7.484 7.954 10.896 150 HB2 GLN 25 HB2 GLN 25 9.612 8.560 12.256 151 HB3 GLN 25 HB1 GLN 25 8.938 9.754 11.156 152 HG2 GLN 25 HG2 GLN 25 8.385 11.165 12.812 153 HG3 GLN 25 HG1 GLN 25 7.919 9.866 13.909 154 HE21 GLN 25 HE21 GLN 25 10.850 11.099 12.326 155 HE22 GLN 25 HE22 GLN 25 11.860 10.979 13.723 156 H ASP 26 HN ASP 26 5.622 6.785 12.585 157 HA ASP 26 HA ASP 26 7.319 4.889 13.991 158 HB2 ASP 26 HB2 ASP 26 5.413 6.737 15.333 159 HB3 ASP 26 HB1 ASP 26 5.462 5.072 15.906 160 H ARG 27 HN ARG 27 5.619 4.867 11.605 161 HA ARG 27 HA ARG 27 4.193 2.433 12.189 162 HB2 ARG 27 HB2 ARG 27 2.534 4.190 12.770 163 HB3 ARG 27 HB1 ARG 27 2.652 4.808 11.128 164 HG2 ARG 27 HG2 ARG 27 1.197 3.312 10.381 165 HG3 ARG 27 HG1 ARG 27 2.092 1.981 11.117 166 HD2 ARG 27 HD2 ARG 27 0.901 2.122 13.112 167 HD3 ARG 27 HD1 ARG 27 0.357 3.766 12.782 168 HE ARG 27 HE ARG 27 -0.802 2.333 10.808 169 HH11 ARG 27 HH11 ARG 27 -0.717 1.966 14.277 170 HH12 ARG 27 HH12 ARG 27 -2.274 1.214 14.361 171 HH21 ARG 27 HH21 ARG 27 -2.851 1.344 10.916 172 HH22 ARG 27 HH22 ARG 27 -3.486 0.860 12.453 173 H CYS 28 HN CYS 28 6.425 3.185 10.564 174 HA CYS 28 HA CYS 28 7.279 2.539 8.550 175 HB2 CYS 28 HB2 CYS 28 4.498 1.834 7.630 176 HB3 CYS 28 HB1 CYS 28 6.029 1.208 7.035 177 H CYS 29 HN CYS 29 5.323 5.084 9.100 178 HA CYS 29 HA CYS 29 5.610 6.079 6.343 179 HB2 CYS 29 HB2 CYS 29 3.272 5.751 6.795 180 HB3 CYS 29 HB1 CYS 29 3.399 6.603 8.329 181 H ASN 30 HN ASN 30 6.148 8.196 6.013 182 HA ASN 30 HA ASN 30 7.362 9.583 8.312 183 HB2 ASN 30 HB2 ASN 30 8.191 9.348 5.435 184 HB3 ASN 30 HB1 ASN 30 8.712 10.705 6.412 185 HD21 ASN 30 HD21 ASN 30 9.139 9.575 8.820 186 HD22 ASN 30 HD22 ASN 30 10.413 8.414 8.726 187 H ALA 31 HN ALA 31 5.873 10.946 8.948 188 HA ALA 31 HA ALA 31 4.318 12.526 7.092 189 HB1 ALA 31 HB1 ALA 31 3.670 11.666 9.493 190 HB2 ALA 31 HB2 ALA 31 3.090 13.222 8.917 191 HB3 ALA 31 HB3 ALA 31 4.471 13.148 10.001 192 H ALA 32 HN ALA 32 7.222 12.680 8.903 193 HA ALA 32 HA ALA 32 7.549 15.546 8.328 194 HB1 ALA 32 HB1 ALA 32 7.829 14.795 10.663 195 HB2 ALA 32 HB2 ALA 32 9.287 15.535 9.997 196 HB3 ALA 32 HB3 ALA 32 9.178 13.779 10.145 197 H THR 33 HN THR 33 8.147 12.738 6.804 198 HA THR 33 HA THR 33 10.626 13.774 5.622 199 HB THR 33 HB THR 33 10.501 10.890 5.490 200 HG1 THR 33 HG1 THR 33 10.591 12.034 8.086 201 HG21 THR 33 HG21 THR 33 12.698 10.965 6.215 202 HG22 THR 33 HG22 THR 33 12.469 12.509 7.037 203 HG23 THR 33 HG23 THR 33 12.500 12.443 5.274 204 H CYS 34 HN CYS 34 7.550 13.408 4.962 205 HA CYS 34 HA CYS 34 6.267 12.934 3.137 206 HB2 CYS 34 HB2 CYS 34 7.251 14.955 2.385 207 HB3 CYS 34 HB1 CYS 34 8.753 14.150 1.951 208 H LYS 35 HN LYS 35 7.145 10.531 3.929 209 HA LYS 35 HA LYS 35 7.033 9.004 1.575 210 HB2 LYS 35 HB2 LYS 35 9.566 9.995 1.909 211 HB3 LYS 35 HB1 LYS 35 9.686 8.412 2.666 212 HG2 LYS 35 HG2 LYS 35 10.250 7.892 0.518 213 HG3 LYS 35 HG1 LYS 35 8.508 7.615 0.464 214 HD2 LYS 35 HD2 LYS 35 9.200 8.873 -1.485 215 HD3 LYS 35 HD1 LYS 35 8.202 9.888 -0.442 216 HE2 LYS 35 HE2 LYS 35 10.288 10.959 -1.410 217 HE3 LYS 35 HE1 LYS 35 10.065 11.102 0.333 218 HZ1 LYS 35 HZ1 LYS 35 11.632 8.852 -0.715 219 HZ2 LYS 35 HZ2 LYS 35 11.772 9.664 0.762 220 HZ3 LYS 35 HZ3 LYS 35 12.349 10.384 -0.655 221 H LEU 36 HN LEU 36 7.918 6.650 2.077 222 HA LEU 36 HA LEU 36 6.805 5.952 4.701 223 HB2 LEU 36 HB2 LEU 36 6.242 3.827 3.876 224 HB3 LEU 36 HB1 LEU 36 5.800 4.945 2.606 225 HG LEU 36 HG LEU 36 8.238 3.171 2.644 226 HD11 LEU 36 HD11 LEU 36 6.372 1.827 2.182 227 HD12 LEU 36 HD12 LEU 36 7.033 2.238 0.599 228 HD13 LEU 36 HD13 LEU 36 5.604 3.078 1.203 229 HD21 LEU 36 HD21 LEU 36 8.923 5.078 1.482 230 HD22 LEU 36 HD22 LEU 36 7.331 5.326 0.762 231 HD23 LEU 36 HD23 LEU 36 8.349 3.992 0.216 232 H THR 37 HN THR 37 8.119 5.332 6.249 233 HA THR 37 HA THR 37 10.850 5.472 6.107 234 HB THR 37 HB THR 37 10.827 4.125 8.256 235 HG1 THR 37 HG1 THR 37 8.724 3.789 9.107 236 HG21 THR 37 HG21 THR 37 9.427 5.830 9.477 237 HG22 THR 37 HG22 THR 37 9.106 6.546 7.896 238 HG23 THR 37 HG23 THR 37 10.761 6.447 8.501 239 HA PRO 38 HA PRO 38 12.849 2.000 4.354 240 HB2 PRO 38 HB2 PRO 38 14.137 1.751 7.046 241 HB3 PRO 38 HB1 PRO 38 14.883 1.738 5.441 242 HG2 PRO 38 HG2 PRO 38 15.016 3.914 6.934 243 HG3 PRO 38 HG1 PRO 38 14.684 4.049 5.196 244 HD2 PRO 38 HD2 PRO 38 12.824 4.334 7.509 245 HD3 PRO 38 HD1 PRO 38 12.836 5.193 5.956 246 H GLY 39 HN GLY 39 12.751 -0.222 4.295 247 HA2 GLY 39 HA2 GLY 39 12.184 -2.373 4.962 248 HA3 GLY 39 HA1 GLY 39 11.793 -1.743 6.555 249 H SER 40 HN SER 40 10.138 0.277 4.688 250 HA SER 40 HA SER 40 7.745 -1.427 4.708 251 HB2 SER 40 HB2 SER 40 6.454 0.434 5.259 252 HB3 SER 40 HB1 SER 40 7.949 0.758 6.138 253 HG SER 40 HG SER 40 8.582 2.069 4.335 254 H GLN 41 HN GLN 41 7.275 -2.164 2.740 255 HA GLN 41 HA GLN 41 8.169 -0.877 0.351 256 HB2 GLN 41 HB2 GLN 41 6.250 -3.165 0.816 257 HB3 GLN 41 HB1 GLN 41 6.736 -2.614 -0.781 258 HG2 GLN 41 HG2 GLN 41 9.031 -3.188 -0.332 259 HG3 GLN 41 HG1 GLN 41 8.631 -3.617 1.331 260 HE21 GLN 41 HE21 GLN 41 9.911 -5.451 -0.112 261 HE22 GLN 41 HE22 GLN 41 8.856 -6.741 -0.568 262 H CYS 42 HN CYS 42 5.091 -1.165 2.044 263 HA CYS 42 HA CYS 42 4.143 1.313 1.043 264 HB2 CYS 42 HB2 CYS 42 2.327 0.580 -0.349 265 HB3 CYS 42 HB1 CYS 42 3.807 -0.140 -0.969 266 H ASN 43 HN ASN 43 1.879 1.736 1.753 267 HA ASN 43 HA ASN 43 1.245 0.172 4.168 268 HB2 ASN 43 HB2 ASN 43 1.973 2.381 4.812 269 HB3 ASN 43 HB1 ASN 43 0.871 3.130 3.662 270 HD21 ASN 43 HD21 ASN 43 -1.325 3.202 4.124 271 HD22 ASN 43 HD22 ASN 43 -1.940 2.920 5.714 272 H TYR 44 HN TYR 44 0.130 1.489 1.180 273 HA TYR 44 HA TYR 44 -2.436 0.140 1.575 274 HB2 TYR 44 HB2 TYR 44 -3.768 1.960 0.979 275 HB3 TYR 44 HB1 TYR 44 -2.552 2.698 2.015 276 HD1 TYR 44 HD2 TYR 44 -3.518 2.163 -1.523 277 HD2 TYR 44 HD1 TYR 44 -1.157 4.421 1.201 278 HE1 TYR 44 HE2 TYR 44 -2.965 3.741 -3.321 279 HE2 TYR 44 HE1 TYR 44 -0.596 6.008 -0.591 280 HH TYR 44 HH TYR 44 -0.823 5.445 -3.685 281 H GLY 45 HN GLY 45 -3.495 -0.458 -0.407 282 HA2 GLY 45 HA2 GLY 45 -3.150 -0.083 -2.954 283 HA3 GLY 45 HA1 GLY 45 -1.576 -0.781 -2.605 284 H GLU 46 HN GLU 46 -3.297 -1.937 -4.444 285 HA GLU 46 HA GLU 46 -4.958 -3.956 -3.413 286 HB2 GLU 46 HB2 GLU 46 -3.616 -3.421 -6.014 287 HB3 GLU 46 HB1 GLU 46 -4.201 -5.056 -5.731 288 HG2 GLU 46 HG2 GLU 46 -5.814 -3.629 -6.930 289 HG3 GLU 46 HG1 GLU 46 -6.440 -4.267 -5.410 290 H CYS 47 HN CYS 47 -1.521 -3.770 -3.933 291 HA CYS 47 HA CYS 47 -1.214 -6.561 -3.064 292 HB2 CYS 47 HB2 CYS 47 0.226 -4.835 -4.952 293 HB3 CYS 47 HB1 CYS 47 1.277 -5.750 -3.880 294 H CYS 48 HN CYS 48 -1.720 -4.215 -1.316 295 HA CYS 48 HA CYS 48 0.832 -4.057 0.117 296 HB2 CYS 48 HB2 CYS 48 -0.805 -2.050 -0.592 297 HB3 CYS 48 HB1 CYS 48 -1.471 -2.419 0.996 298 H ASP 49 HN ASP 49 0.719 -4.018 2.506 299 HA ASP 49 HA ASP 49 -1.438 -5.121 3.939 300 HB2 ASP 49 HB2 ASP 49 -0.565 -7.109 2.520 301 HB3 ASP 49 HB1 ASP 49 0.796 -7.112 3.638 302 H GLN 50 HN GLN 50 -1.058 -3.799 5.619 303 HA GLN 50 HA GLN 50 -0.127 -2.990 7.527 304 HB2 GLN 50 HB2 GLN 50 1.179 -5.581 7.160 305 HB3 GLN 50 HB1 GLN 50 2.163 -4.437 8.063 306 HG2 GLN 50 HG2 GLN 50 0.468 -4.163 9.711 307 HG3 GLN 50 HG1 GLN 50 -0.693 -5.075 8.747 308 HE21 GLN 50 HE21 GLN 50 2.503 -5.416 10.242 309 HE22 GLN 50 HE22 GLN 50 2.287 -7.057 10.738 310 H CYS 51 HN CYS 51 2.914 -4.121 6.100 311 HA CYS 51 HA CYS 51 3.601 -1.437 5.235 312 HB2 CYS 51 HB2 CYS 51 5.234 -2.857 7.351 313 HB3 CYS 51 HB1 CYS 51 5.660 -1.337 6.571 314 H ARG 52 HN ARG 52 3.235 -4.113 4.042 315 HA ARG 52 HA ARG 52 5.658 -4.126 2.461 316 HB2 ARG 52 HB2 ARG 52 4.860 -6.434 4.216 317 HB3 ARG 52 HB1 ARG 52 5.781 -6.693 2.741 318 HG2 ARG 52 HG2 ARG 52 7.289 -4.787 3.836 319 HG3 ARG 52 HG1 ARG 52 6.604 -5.481 5.307 320 HD2 ARG 52 HD2 ARG 52 7.725 -7.430 5.068 321 HD3 ARG 52 HD1 ARG 52 7.601 -7.409 3.309 322 HE ARG 52 HE ARG 52 9.684 -6.501 3.250 323 HH11 ARG 52 HH11 ARG 52 8.289 -5.797 6.371 324 HH12 ARG 52 HH12 ARG 52 9.721 -5.035 6.978 325 HH21 ARG 52 HH21 ARG 52 11.568 -5.500 4.048 326 HH22 ARG 52 HH22 ARG 52 11.582 -4.866 5.659 327 H PHE 53 HN PHE 53 5.440 -5.895 0.688 328 HA PHE 53 HA PHE 53 2.822 -5.532 -0.484 329 HB2 PHE 53 HB2 PHE 53 5.411 -6.672 -1.510 330 HB3 PHE 53 HB1 PHE 53 3.914 -6.836 -2.422 331 HD1 PHE 53 HD1 PHE 53 2.782 -4.095 -1.637 332 HD2 PHE 53 HD2 PHE 53 6.583 -5.348 -3.077 333 HE1 PHE 53 HE1 PHE 53 3.129 -1.880 -2.619 334 HE2 PHE 53 HE2 PHE 53 6.943 -3.122 -4.063 335 HZ PHE 53 HZ PHE 53 5.214 -1.382 -3.835 336 H LYS 54 HN LYS 54 1.431 -7.173 -1.160 337 HA LYS 54 HA LYS 54 1.236 -9.390 0.585 338 HB2 LYS 54 HB2 LYS 54 -0.239 -8.367 -1.761 339 HB3 LYS 54 HB1 LYS 54 -0.363 -10.101 -1.498 340 HG2 LYS 54 HG2 LYS 54 -1.648 -9.865 0.326 341 HG3 LYS 54 HG1 LYS 54 -0.757 -8.454 0.900 342 HD2 LYS 54 HD2 LYS 54 -1.892 -7.098 -0.848 343 HD3 LYS 54 HD1 LYS 54 -2.858 -8.515 -1.264 344 HE2 LYS 54 HE2 LYS 54 -2.836 -7.818 1.590 345 HE3 LYS 54 HE1 LYS 54 -3.590 -6.621 0.539 346 HZ1 LYS 54 HZ1 LYS 54 -4.431 -9.349 1.153 347 HZ2 LYS 54 HZ2 LYS 54 -4.726 -8.787 -0.415 348 HZ3 LYS 54 HZ3 LYS 54 -5.364 -7.957 0.914 349 H LYS 55 HN LYS 55 2.363 -11.228 0.538 350 HA LYS 55 HA LYS 55 4.344 -11.901 -1.207 351 HB2 LYS 55 HB2 LYS 55 3.911 -13.046 0.942 352 HB3 LYS 55 HB1 LYS 55 2.534 -13.862 0.215 353 HG2 LYS 55 HG2 LYS 55 3.979 -15.034 -1.317 354 HG3 LYS 55 HG1 LYS 55 5.381 -14.141 -0.723 355 HD2 LYS 55 HD2 LYS 55 3.814 -15.549 1.334 356 HD3 LYS 55 HD1 LYS 55 4.642 -16.587 0.171 357 HE2 LYS 55 HE2 LYS 55 6.725 -15.913 0.846 358 HE3 LYS 55 HE1 LYS 55 6.157 -14.335 1.388 359 HZ1 LYS 55 HZ1 LYS 55 4.966 -15.633 3.203 360 HZ2 LYS 55 HZ2 LYS 55 6.646 -15.488 3.334 361 HZ3 LYS 55 HZ3 LYS 55 5.963 -16.934 2.780 362 H ALA 56 HN ALA 56 4.447 -12.452 -3.279 363 HA ALA 56 HA ALA 56 2.495 -12.473 -5.113 364 HB1 ALA 56 HB1 ALA 56 3.894 -14.267 -6.351 365 HB2 ALA 56 HB2 ALA 56 5.010 -14.082 -4.996 366 HB3 ALA 56 HB3 ALA 56 4.614 -12.694 -6.009 367 H GLY 57 HN GLY 57 0.763 -13.639 -5.618 368 HA2 GLY 57 HA2 GLY 57 -0.187 -15.896 -5.965 369 HA3 GLY 57 HA1 GLY 57 0.538 -16.343 -4.425 370 H THR 58 HN THR 58 -0.318 -13.393 -3.710 371 HA THR 58 HA THR 58 -2.763 -14.178 -2.406 372 HB THR 58 HB THR 58 -1.266 -11.548 -2.531 373 HG1 THR 58 HG1 THR 58 -0.186 -13.153 -1.373 374 HG21 THR 58 HG21 THR 58 -2.836 -10.510 -1.376 375 HG22 THR 58 HG22 THR 58 -3.003 -11.862 -0.254 376 HG23 THR 58 HG23 THR 58 -3.909 -11.858 -1.768 377 H VAL 59 HN VAL 59 -4.530 -14.346 -3.697 378 HA VAL 59 HA VAL 59 -4.933 -12.915 -6.076 379 HB VAL 59 HB VAL 59 -6.143 -14.994 -5.607 380 HG11 VAL 59 HG11 VAL 59 -7.481 -15.352 -3.836 381 HG12 VAL 59 HG12 VAL 59 -8.154 -13.723 -3.885 382 HG13 VAL 59 HG13 VAL 59 -6.585 -14.007 -3.131 383 HG21 VAL 59 HG21 VAL 59 -8.192 -12.819 -5.883 384 HG22 VAL 59 HG22 VAL 59 -8.171 -14.415 -6.632 385 HG23 VAL 59 HG23 VAL 59 -7.032 -13.178 -7.162 386 H CYS 60 HN CYS 60 -5.269 -10.804 -6.308 387 HA CYS 60 HA CYS 60 -6.578 -9.335 -4.126 388 HB2 CYS 60 HB2 CYS 60 -5.199 -8.059 -6.471 389 HB3 CYS 60 HB1 CYS 60 -5.535 -7.369 -4.888 390 H ARG 61 HN ARG 61 -6.938 -10.302 -7.426 391 HA ARG 61 HA ARG 61 -9.641 -9.253 -7.464 392 HB2 ARG 61 HB2 ARG 61 -7.894 -8.551 -9.802 393 HB3 ARG 61 HB1 ARG 61 -9.446 -7.868 -9.339 394 HG2 ARG 61 HG2 ARG 61 -8.347 -6.833 -7.375 395 HG3 ARG 61 HG1 ARG 61 -6.799 -7.424 -7.979 396 HD2 ARG 61 HD2 ARG 61 -8.643 -5.649 -9.567 397 HD3 ARG 61 HD1 ARG 61 -7.340 -5.038 -8.549 398 HE ARG 61 HE ARG 61 -6.592 -6.987 -10.568 399 HH11 ARG 61 HH11 ARG 61 -6.829 -3.613 -9.688 400 HH12 ARG 61 HH12 ARG 61 -5.677 -3.098 -10.873 401 HH21 ARG 61 HH21 ARG 61 -5.083 -6.304 -12.127 402 HH22 ARG 61 HH22 ARG 61 -4.688 -4.623 -12.257 403 H ILE 62 HN ILE 62 -10.495 -9.687 -9.872 404 HA ILE 62 HA ILE 62 -9.514 -11.896 -11.292 405 HB ILE 62 HB ILE 62 -10.116 -13.282 -9.436 406 HG12 ILE 62 HG12 ILE 62 -11.841 -14.739 -10.426 407 HG13 ILE 62 HG11 ILE 62 -12.291 -13.450 -11.536 408 HG21 ILE 62 HG21 ILE 62 -12.019 -13.129 -8.177 409 HG22 ILE 62 HG22 ILE 62 -12.971 -12.459 -9.504 410 HG23 ILE 62 HG23 ILE 62 -11.812 -11.441 -8.648 411 HD11 ILE 62 HD11 ILE 62 -10.949 -14.749 -12.855 412 HD12 ILE 62 HD12 ILE 62 -9.878 -15.187 -11.525 413 HD13 ILE 62 HD13 ILE 62 -9.784 -13.577 -12.239 414 H ALA 63 HN ALA 63 -10.464 -11.932 -13.227 415 HA ALA 63 HA ALA 63 -12.177 -9.903 -14.017 416 HB1 ALA 63 HB1 ALA 63 -11.345 -10.602 -15.942 417 HB2 ALA 63 HB2 ALA 63 -12.537 -11.899 -15.918 418 HB3 ALA 63 HB3 ALA 63 -10.922 -12.172 -15.263 419 H ARG 64 HN ARG 64 -13.440 -13.059 -14.880 420 HA ARG 64 HA ARG 64 -15.711 -12.693 -13.078 421 HB2 ARG 64 HB2 ARG 64 -15.802 -12.528 -16.050 422 HB3 ARG 64 HB1 ARG 64 -17.125 -13.352 -15.236 423 HG2 ARG 64 HG2 ARG 64 -17.961 -11.239 -15.301 424 HG3 ARG 64 HG1 ARG 64 -17.119 -11.176 -13.752 425 HD2 ARG 64 HD2 ARG 64 -16.200 -9.311 -14.614 426 HD3 ARG 64 HD1 ARG 64 -15.126 -10.452 -15.421 427 HE ARG 64 HE ARG 64 -17.246 -10.192 -17.120 428 HH11 ARG 64 HH11 ARG 64 -14.999 -7.971 -15.638 429 HH12 ARG 64 HH12 ARG 64 -15.063 -6.837 -16.946 430 HH21 ARG 64 HH21 ARG 64 -17.331 -8.702 -18.841 431 HH22 ARG 64 HH22 ARG 64 -16.387 -7.252 -18.764 432 H GLY 65 HN GLY 65 -14.904 -14.571 -12.016 433 HA2 GLY 65 HA2 GLY 65 -15.885 -16.882 -11.964 434 HA3 GLY 65 HA1 GLY 65 -15.230 -17.049 -13.587 435 H ASP 66 HN ASP 66 -13.200 -17.736 -13.845 436 HA ASP 66 HA ASP 66 -11.066 -17.332 -12.128 437 HB2 ASP 66 HB2 ASP 66 -12.789 -19.062 -10.901 438 HB3 ASP 66 HB1 ASP 66 -11.708 -20.180 -11.728 439 H TRP 67 HN TRP 67 -10.014 -17.079 -14.053 440 HA TRP 67 HA TRP 67 -9.480 -19.548 -15.577 441 HB2 TRP 67 HB2 TRP 67 -8.804 -17.325 -17.185 442 HB3 TRP 67 HB1 TRP 67 -10.130 -18.456 -17.426 443 HD1 TRP 67 HD1 TRP 67 -9.521 -15.164 -15.415 444 HE1 TRP 67 HE1 TRP 67 -11.707 -13.830 -15.458 445 HE3 TRP 67 HE3 TRP 67 -12.441 -18.463 -17.996 446 HZ2 TRP 67 HZ2 TRP 67 -14.314 -14.115 -16.454 447 HZ3 TRP 67 HZ3 TRP 67 -14.782 -17.851 -18.462 448 HH2 TRP 67 HH2 TRP 67 -15.699 -15.716 -17.706 449 H ASN 68 HN ASN 68 -8.106 -16.319 -15.316 450 HA ASN 68 HA ASN 68 -5.431 -17.483 -14.994 451 HB2 ASN 68 HB2 ASN 68 -5.896 -14.577 -15.555 452 HB3 ASN 68 HB1 ASN 68 -4.544 -15.600 -16.031 453 HD21 ASN 68 HD21 ASN 68 -7.980 -15.015 -16.622 454 HD22 ASN 68 HD22 ASN 68 -7.964 -15.520 -18.274 455 H ASP 69 HN ASP 69 -7.810 -15.358 -13.594 456 HA ASP 69 HA ASP 69 -8.041 -14.431 -11.538 457 HB2 ASP 69 HB2 ASP 69 -6.113 -16.653 -11.016 458 HB3 ASP 69 HB1 ASP 69 -6.452 -15.493 -9.736 459 H ASP 70 HN ASP 70 -7.227 -12.796 -10.245 460 HA ASP 70 HA ASP 70 -4.775 -11.585 -11.248 461 HB2 ASP 70 HB2 ASP 70 -6.959 -10.285 -10.983 462 HB3 ASP 70 HB1 ASP 70 -6.695 -10.400 -9.248 463 H TYR 71 HN TYR 71 -2.903 -11.784 -10.180 464 HA TYR 71 HA TYR 71 -3.043 -12.309 -7.292 465 HB2 TYR 71 HB2 TYR 71 -1.625 -13.875 -9.402 466 HB3 TYR 71 HB1 TYR 71 -1.007 -13.843 -7.750 467 HD1 TYR 71 HD1 TYR 71 -2.604 -14.455 -5.898 468 HD2 TYR 71 HD2 TYR 71 -3.367 -15.318 -9.975 469 HE1 TYR 71 HE1 TYR 71 -4.219 -16.157 -5.207 470 HE2 TYR 71 HE2 TYR 71 -5.003 -17.020 -9.322 471 HH TYR 71 HH TYR 71 -6.520 -17.325 -6.978 472 H CYS 72 HN CYS 72 -1.357 -11.707 -6.033 473 HA CYS 72 HA CYS 72 0.063 -9.389 -6.863 474 HB2 CYS 72 HB2 CYS 72 -0.770 -10.089 -4.495 475 HB3 CYS 72 HB1 CYS 72 0.757 -10.963 -4.405 476 H THR 73 HN THR 73 2.434 -9.163 -6.643 477 HA THR 73 HA THR 73 3.831 -11.617 -7.479 478 HB THR 73 HB THR 73 5.012 -10.479 -9.141 479 HG1 THR 73 HG1 THR 73 4.175 -8.046 -7.949 480 HG21 THR 73 HG21 THR 73 2.301 -10.378 -9.298 481 HG22 THR 73 HG22 THR 73 3.413 -9.945 -10.597 482 HG23 THR 73 HG23 THR 73 2.745 -8.690 -9.552 483 H GLY 74 HN GLY 74 3.563 -9.453 -5.041 484 HA2 GLY 74 HA2 GLY 74 4.894 -8.876 -3.268 485 HA3 GLY 74 HA1 GLY 74 5.876 -10.266 -3.704 486 H LYS 75 HN LYS 75 5.392 -7.663 -5.964 487 HA LYS 75 HA LYS 75 8.016 -6.540 -5.303 488 HB2 LYS 75 HB2 LYS 75 7.266 -7.217 -8.142 489 HB3 LYS 75 HB1 LYS 75 8.831 -6.697 -7.532 490 HG2 LYS 75 HG2 LYS 75 8.421 -8.960 -6.086 491 HG3 LYS 75 HG1 LYS 75 7.627 -9.364 -7.609 492 HD2 LYS 75 HD2 LYS 75 10.433 -8.279 -7.397 493 HD3 LYS 75 HD1 LYS 75 10.041 -9.996 -7.507 494 HE2 LYS 75 HE2 LYS 75 10.562 -9.311 -9.704 495 HE3 LYS 75 HE1 LYS 75 8.805 -9.444 -9.643 496 HZ1 LYS 75 HZ1 LYS 75 8.541 -7.182 -9.736 497 HZ2 LYS 75 HZ2 LYS 75 9.919 -7.369 -10.698 498 HZ3 LYS 75 HZ3 LYS 75 10.071 -6.848 -9.096 499 H SER 76 HN SER 76 4.936 -5.821 -5.488 500 HA SER 76 HA SER 76 5.338 -3.062 -5.905 501 HB2 SER 76 HB2 SER 76 3.602 -3.151 -7.959 502 HB3 SER 76 HB1 SER 76 5.351 -3.135 -8.186 503 HG SER 76 HG SER 76 3.571 -5.322 -8.305 504 H SER 77 HN SER 77 3.209 -1.855 -5.988 505 HA SER 77 HA SER 77 1.383 -3.112 -4.100 506 HB2 SER 77 HB2 SER 77 0.657 -0.968 -3.545 507 HB3 SER 77 HB1 SER 77 2.342 -0.683 -3.979 508 HG SER 77 HG SER 77 0.470 0.649 -4.941 509 H ASP 78 HN ASP 78 1.590 -3.450 -7.231 510 HA ASP 78 HA ASP 78 -1.292 -3.106 -7.730 511 HB2 ASP 78 HB2 ASP 78 1.086 -2.988 -9.570 512 HB3 ASP 78 HB1 ASP 78 -0.524 -3.329 -10.197 513 H CYS 79 HN CYS 79 -2.489 -4.826 -8.361 514 HA CYS 79 HA CYS 79 -1.121 -7.438 -8.434 515 HB2 CYS 79 HB2 CYS 79 -3.199 -6.545 -6.802 516 HB3 CYS 79 HB1 CYS 79 -3.994 -7.558 -8.003 517 HA PRO 80 HA PRO 80 -2.549 -7.162 -12.745 518 HB2 PRO 80 HB2 PRO 80 -1.066 -9.247 -13.645 519 HB3 PRO 80 HB1 PRO 80 -0.395 -7.631 -13.392 520 HG2 PRO 80 HG2 PRO 80 -0.263 -10.036 -11.611 521 HG3 PRO 80 HG1 PRO 80 1.022 -8.891 -12.040 522 HD2 PRO 80 HD2 PRO 80 -0.312 -8.749 -9.696 523 HD3 PRO 80 HD1 PRO 80 0.283 -7.303 -10.536 524 H TRP 81 HN TRP 81 -4.173 -8.185 -13.782 525 HA TRP 81 HA TRP 81 -5.648 -10.225 -12.459 526 HB2 TRP 81 HB2 TRP 81 -6.263 -9.927 -15.300 527 HB3 TRP 81 HB1 TRP 81 -7.309 -9.745 -13.901 528 HD1 TRP 81 HD1 TRP 81 -4.974 -7.712 -16.178 529 HE1 TRP 81 HE1 TRP 81 -5.565 -5.220 -15.900 530 HE3 TRP 81 HE3 TRP 81 -8.271 -8.114 -12.330 531 HZ2 TRP 81 HZ2 TRP 81 -7.230 -3.641 -14.255 532 HZ3 TRP 81 HZ3 TRP 81 -9.340 -6.071 -11.452 533 HH2 TRP 81 HH2 TRP 81 -8.823 -3.876 -12.397 534 H ASN 82 HN ASN 82 -3.075 -10.293 -14.661 535 HA ASN 82 HA ASN 82 -1.864 -12.036 -15.523 536 HB2 ASN 82 HB2 ASN 82 -3.959 -13.899 -14.381 537 HB3 ASN 82 HB1 ASN 82 -2.329 -14.317 -14.898 538 HD21 ASN 82 HD21 ASN 82 -2.590 -15.225 -12.604 539 HD22 ASN 82 HD22 ASN 82 -2.002 -14.214 -11.333 540 H HIS 83 HN HIS 83 -4.115 -10.626 -16.770 541 HA HIS 83 HA HIS 83 -5.126 -12.630 -18.656 542 HB2 HIS 83 HB2 HIS 83 -5.995 -9.761 -18.212 543 HB3 HIS 83 HB1 HIS 83 -6.766 -10.917 -19.298 544 HD1 HIS 83 HD1 HIS 83 -8.196 -9.531 -16.844 545 HD2 HIS 83 HD2 HIS 83 -6.574 -13.353 -16.879 546 HE1 HIS 83 HE1 HIS 83 -9.361 -10.777 -14.996 547 HE2 HIS 83 HE2 HIS 83 -8.444 -13.118 -15.110 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 -5.055 18.123 20.423 2 H2 SER 1 HT2 SER 1 -6.529 17.245 20.371 3 H3 SER 1 HT3 SER 1 -6.126 18.327 19.101 4 HA SER 1 HA SER 1 -4.852 15.772 19.794 5 HB2 SER 1 HB2 SER 1 -5.445 15.634 17.188 6 HB3 SER 1 HB1 SER 1 -6.624 15.226 18.434 7 HG SER 1 HG SER 1 -7.039 16.909 16.596 8 HA PRO 2 HA PRO 2 -0.993 17.054 18.114 9 HB2 PRO 2 HB2 PRO 2 -0.405 15.052 16.328 10 HB3 PRO 2 HB1 PRO 2 -0.202 14.914 18.077 11 HG2 PRO 2 HG2 PRO 2 -2.434 13.935 16.345 12 HG3 PRO 2 HG1 PRO 2 -1.648 13.136 17.719 13 HD2 PRO 2 HD2 PRO 2 -4.042 14.338 17.957 14 HD3 PRO 2 HD1 PRO 2 -2.853 14.352 19.276 15 HA PRO 3 HA PRO 3 -1.697 19.086 14.243 16 HB2 PRO 3 HB2 PRO 3 0.778 19.829 13.579 17 HB3 PRO 3 HB1 PRO 3 -0.025 20.492 15.008 18 HG2 PRO 3 HG2 PRO 3 2.036 18.332 14.823 19 HG3 PRO 3 HG1 PRO 3 1.901 19.653 15.998 20 HD2 PRO 3 HD2 PRO 3 1.070 17.066 16.460 21 HD3 PRO 3 HD1 PRO 3 0.435 18.489 17.309 22 H VAL 4 HN VAL 4 -2.148 18.435 12.315 23 HA VAL 4 HA VAL 4 -1.245 16.026 11.249 24 HB VAL 4 HB VAL 4 -2.281 17.982 9.320 25 HG11 VAL 4 HG11 VAL 4 -2.851 15.173 10.163 26 HG12 VAL 4 HG12 VAL 4 -2.314 15.786 8.602 27 HG13 VAL 4 HG13 VAL 4 -3.979 16.038 9.120 28 HG21 VAL 4 HG21 VAL 4 -3.777 17.384 11.844 29 HG22 VAL 4 HG22 VAL 4 -4.636 17.687 10.333 30 HG23 VAL 4 HG23 VAL 4 -3.574 18.924 11.007 31 H CYS 5 HN CYS 5 0.942 15.979 11.098 32 HA CYS 5 HA CYS 5 2.533 18.070 10.040 33 HB2 CYS 5 HB2 CYS 5 3.458 15.226 9.862 34 HB3 CYS 5 HB1 CYS 5 4.360 16.662 10.324 35 H GLY 6 HN GLY 6 1.880 18.773 8.074 36 HA2 GLY 6 HA2 GLY 6 2.188 18.764 5.746 37 HA3 GLY 6 HA1 GLY 6 2.436 17.024 5.807 38 H ASN 7 HN ASN 7 -0.267 18.317 7.514 39 HA ASN 7 HA ASN 7 -2.517 18.135 7.244 40 HB2 ASN 7 HB2 ASN 7 -1.550 18.666 4.474 41 HB3 ASN 7 HB1 ASN 7 -3.196 18.057 4.640 42 HD21 ASN 7 HD21 ASN 7 -4.548 19.685 4.466 43 HD22 ASN 7 HD22 ASN 7 -4.390 21.229 5.224 44 H LYS 8 HN LYS 8 -3.973 16.456 7.242 45 HA LYS 8 HA LYS 8 -3.070 13.855 7.113 46 HB2 LYS 8 HB2 LYS 8 -5.198 13.219 7.635 47 HB3 LYS 8 HB1 LYS 8 -5.348 14.933 7.979 48 HG2 LYS 8 HG2 LYS 8 -7.252 14.515 6.768 49 HG3 LYS 8 HG1 LYS 8 -6.156 15.092 5.514 50 HD2 LYS 8 HD2 LYS 8 -5.591 12.487 5.373 51 HD3 LYS 8 HD1 LYS 8 -7.236 12.370 6.000 52 HE2 LYS 8 HE2 LYS 8 -6.298 13.626 3.437 53 HE3 LYS 8 HE1 LYS 8 -7.444 12.304 3.654 54 HZ1 LYS 8 HZ1 LYS 8 -7.861 15.168 4.298 55 HZ2 LYS 8 HZ2 LYS 8 -8.922 13.944 4.782 56 HZ3 LYS 8 HZ3 LYS 8 -8.674 14.245 3.136 57 H ILE 9 HN ILE 9 -2.326 12.697 5.476 58 HA ILE 9 HA ILE 9 -2.381 13.521 2.827 59 HB ILE 9 HB ILE 9 -1.792 11.294 2.097 60 HG12 ILE 9 HG12 ILE 9 -3.362 10.395 4.190 61 HG13 ILE 9 HG11 ILE 9 -2.333 9.404 3.163 62 HG21 ILE 9 HG21 ILE 9 0.014 12.526 2.872 63 HG22 ILE 9 HG22 ILE 9 0.178 10.959 3.664 64 HG23 ILE 9 HG23 ILE 9 -0.465 12.335 4.556 65 HD11 ILE 9 HD11 ILE 9 -0.510 9.693 4.802 66 HD12 ILE 9 HD12 ILE 9 -1.924 8.864 5.451 67 HD13 ILE 9 HD13 ILE 9 -1.636 10.556 5.847 68 H LEU 10 HN LEU 10 -3.654 13.300 1.121 69 HA LEU 10 HA LEU 10 -6.308 12.178 1.612 70 HB2 LEU 10 HB2 LEU 10 -6.955 13.569 -0.392 71 HB3 LEU 10 HB1 LEU 10 -6.481 14.457 1.044 72 HG LEU 10 HG LEU 10 -5.641 15.265 -1.253 73 HD11 LEU 10 HD11 LEU 10 -4.219 16.502 -0.078 74 HD12 LEU 10 HD12 LEU 10 -3.253 15.101 0.385 75 HD13 LEU 10 HD13 LEU 10 -4.689 15.529 1.315 76 HD21 LEU 10 HD21 LEU 10 -3.638 13.067 -0.764 77 HD22 LEU 10 HD22 LEU 10 -3.556 14.300 -2.022 78 HD23 LEU 10 HD23 LEU 10 -4.840 13.092 -2.054 79 H GLU 11 HN GLU 11 -3.627 11.003 0.553 80 HA GLU 11 HA GLU 11 -4.698 8.914 -0.944 81 HB2 GLU 11 HB2 GLU 11 -4.019 9.407 -3.198 82 HB3 GLU 11 HB1 GLU 11 -5.052 10.710 -2.632 83 HG2 GLU 11 HG2 GLU 11 -3.486 12.164 -3.182 84 HG3 GLU 11 HG1 GLU 11 -2.417 11.438 -1.980 85 H GLN 12 HN GLN 12 -2.668 9.374 1.107 86 HA GLN 12 HA GLN 12 -0.389 8.159 -0.301 87 HB2 GLN 12 HB2 GLN 12 -0.088 9.915 2.123 88 HB3 GLN 12 HB1 GLN 12 1.175 9.319 1.063 89 HG2 GLN 12 HG2 GLN 12 -0.960 11.299 0.303 90 HG3 GLN 12 HG1 GLN 12 0.707 11.693 0.723 91 HE21 GLN 12 HE21 GLN 12 0.937 12.677 -1.321 92 HE22 GLN 12 HE22 GLN 12 1.177 11.730 -2.746 93 H GLY 13 HN GLY 13 -0.625 8.679 3.174 94 HA2 GLY 13 HA2 GLY 13 -0.896 7.182 4.916 95 HA3 GLY 13 HA1 GLY 13 -1.452 5.989 3.748 96 H GLU 14 HN GLU 14 1.525 7.625 3.223 97 HA GLU 14 HA GLU 14 3.547 6.470 4.472 98 HB2 GLU 14 HB2 GLU 14 2.196 4.380 2.875 99 HB3 GLU 14 HB1 GLU 14 3.941 4.458 2.695 100 HG2 GLU 14 HG2 GLU 14 4.323 3.969 4.934 101 HG3 GLU 14 HG1 GLU 14 2.672 4.368 5.400 102 H ASP 15 HN ASP 15 2.136 7.349 1.471 103 HA ASP 15 HA ASP 15 4.428 7.408 -0.155 104 HB2 ASP 15 HB2 ASP 15 1.712 8.087 -0.409 105 HB3 ASP 15 HB1 ASP 15 2.600 9.567 -0.761 106 H CYS 16 HN CYS 16 2.863 10.003 1.715 107 HA CYS 16 HA CYS 16 5.063 11.144 2.836 108 HB2 CYS 16 HB2 CYS 16 6.231 11.684 0.936 109 HB3 CYS 16 HB1 CYS 16 4.779 11.874 -0.037 110 H ASP 17 HN ASP 17 4.695 13.343 3.629 111 HA ASP 17 HA ASP 17 3.416 14.898 4.667 112 HB2 ASP 17 HB2 ASP 17 1.945 14.526 2.073 113 HB3 ASP 17 HB1 ASP 17 1.323 15.615 3.310 114 H CYS 18 HN CYS 18 3.033 12.128 5.339 115 HA CYS 18 HA CYS 18 0.638 11.005 5.552 116 HB2 CYS 18 HB2 CYS 18 2.959 10.891 7.104 117 HB3 CYS 18 HB1 CYS 18 1.648 11.158 8.252 118 H GLY 19 HN GLY 19 1.558 13.904 7.348 119 HA2 GLY 19 HA2 GLY 19 0.241 15.478 8.404 120 HA3 GLY 19 HA1 GLY 19 -1.095 14.839 7.467 121 H SER 20 HN SER 20 -1.952 12.679 8.273 122 HA SER 20 HA SER 20 -3.008 12.996 10.786 123 HB2 SER 20 HB2 SER 20 -3.863 10.819 10.617 124 HB3 SER 20 HB1 SER 20 -3.699 11.359 8.947 125 HG SER 20 HG SER 20 -2.836 9.305 9.107 126 HA PRO 21 HA PRO 21 0.781 12.726 13.169 127 HB2 PRO 21 HB2 PRO 21 -1.396 12.656 15.227 128 HB3 PRO 21 HB1 PRO 21 0.113 13.579 15.218 129 HG2 PRO 21 HG2 PRO 21 -2.179 14.768 14.589 130 HG3 PRO 21 HG1 PRO 21 -0.695 15.139 13.691 131 HD2 PRO 21 HD2 PRO 21 -3.042 13.496 12.872 132 HD3 PRO 21 HD1 PRO 21 -1.976 14.498 11.875 133 H ALA 22 HN ALA 22 -1.977 10.566 13.270 134 HA ALA 22 HA ALA 22 -1.132 8.650 15.072 135 HB1 ALA 22 HB1 ALA 22 -2.274 7.054 13.276 136 HB2 ALA 22 HB2 ALA 22 -2.822 8.602 12.634 137 HB3 ALA 22 HB3 ALA 22 -3.212 8.147 14.293 138 H ASN 23 HN ASN 23 0.144 9.464 11.966 139 HA ASN 23 HA ASN 23 1.953 7.148 12.059 140 HB2 ASN 23 HB2 ASN 23 0.856 8.756 9.767 141 HB3 ASN 23 HB1 ASN 23 2.322 7.799 9.585 142 HD21 ASN 23 HD21 ASN 23 -0.915 7.405 10.996 143 HD22 ASN 23 HD22 ASN 23 -1.207 5.846 10.312 144 H CYS 24 HN CYS 24 1.740 10.613 12.075 145 HA CYS 24 HA CYS 24 4.257 11.379 11.212 146 HB2 CYS 24 HB2 CYS 24 2.348 12.899 11.879 147 HB3 CYS 24 HB1 CYS 24 2.815 12.632 13.555 148 H GLN 25 HN GLN 25 5.846 9.933 11.811 149 HA GLN 25 HA GLN 25 7.571 9.150 13.068 150 HB2 GLN 25 HB2 GLN 25 6.789 11.070 15.250 151 HB3 GLN 25 HB1 GLN 25 8.387 10.447 14.864 152 HG2 GLN 25 HG2 GLN 25 7.405 11.810 12.580 153 HG3 GLN 25 HG1 GLN 25 7.154 12.842 13.987 154 HE21 GLN 25 HE21 GLN 25 8.710 14.323 13.468 155 HE22 GLN 25 HE22 GLN 25 10.401 13.971 13.485 156 H ASP 26 HN ASP 26 5.869 7.337 13.132 157 HA ASP 26 HA ASP 26 5.972 6.112 15.653 158 HB2 ASP 26 HB2 ASP 26 3.590 7.761 15.125 159 HB3 ASP 26 HB1 ASP 26 3.237 6.120 15.657 160 H ARG 27 HN ARG 27 3.232 6.078 13.395 161 HA ARG 27 HA ARG 27 3.196 3.292 13.124 162 HB2 ARG 27 HB2 ARG 27 1.499 5.275 12.440 163 HB3 ARG 27 HB1 ARG 27 2.164 4.895 10.858 164 HG2 ARG 27 HG2 ARG 27 0.409 3.461 10.868 165 HG3 ARG 27 HG1 ARG 27 1.616 2.422 11.629 166 HD2 ARG 27 HD2 ARG 27 -0.180 4.188 13.259 167 HD3 ARG 27 HD1 ARG 27 -0.708 2.595 12.717 168 HE ARG 27 HE ARG 27 1.152 3.177 14.815 169 HH11 ARG 27 HH11 ARG 27 0.242 0.809 12.418 170 HH12 ARG 27 HH12 ARG 27 0.928 -0.520 13.289 171 HH21 ARG 27 HH21 ARG 27 2.055 1.429 15.962 172 HH22 ARG 27 HH22 ARG 27 1.957 -0.169 15.301 173 H CYS 28 HN CYS 28 2.985 2.966 10.276 174 HA CYS 28 HA CYS 28 5.823 2.731 9.666 175 HB2 CYS 28 HB2 CYS 28 3.864 0.935 9.387 176 HB3 CYS 28 HB1 CYS 28 3.742 1.698 7.806 177 H CYS 29 HN CYS 29 4.598 5.359 9.531 178 HA CYS 29 HA CYS 29 5.274 5.985 6.757 179 HB2 CYS 29 HB2 CYS 29 2.910 5.843 6.586 180 HB3 CYS 29 HB1 CYS 29 2.672 6.682 8.109 181 H ASN 30 HN ASN 30 5.784 8.211 6.403 182 HA ASN 30 HA ASN 30 6.712 9.554 8.855 183 HB2 ASN 30 HB2 ASN 30 7.869 9.389 6.088 184 HB3 ASN 30 HB1 ASN 30 8.307 10.683 7.185 185 HD21 ASN 30 HD21 ASN 30 8.500 9.508 9.570 186 HD22 ASN 30 HD22 ASN 30 9.716 8.280 9.565 187 H ALA 31 HN ALA 31 5.111 10.875 9.321 188 HA ALA 31 HA ALA 31 3.846 12.545 7.320 189 HB1 ALA 31 HB1 ALA 31 3.008 11.596 9.740 190 HB2 ALA 31 HB2 ALA 31 2.261 12.935 8.873 191 HB3 ALA 31 HB3 ALA 31 3.444 13.256 10.136 192 H ALA 32 HN ALA 32 6.493 12.612 9.482 193 HA ALA 32 HA ALA 32 6.848 15.511 9.139 194 HB1 ALA 32 HB1 ALA 32 8.348 15.434 10.993 195 HB2 ALA 32 HB2 ALA 32 8.372 13.669 10.971 196 HB3 ALA 32 HB3 ALA 32 6.902 14.527 11.440 197 H THR 33 HN THR 33 7.797 12.585 7.824 198 HA THR 33 HA THR 33 10.316 13.730 6.843 199 HB THR 33 HB THR 33 10.148 10.864 6.525 200 HG1 THR 33 HG1 THR 33 9.991 11.861 9.178 201 HG21 THR 33 HG21 THR 33 12.252 10.838 7.506 202 HG22 THR 33 HG22 THR 33 11.972 12.364 8.346 203 HG23 THR 33 HG23 THR 33 12.194 12.347 6.595 204 H CYS 34 HN CYS 34 7.294 13.386 5.887 205 HA CYS 34 HA CYS 34 6.196 13.051 3.926 206 HB2 CYS 34 HB2 CYS 34 7.133 15.137 3.397 207 HB3 CYS 34 HB1 CYS 34 8.736 14.460 3.158 208 H LYS 35 HN LYS 35 6.991 10.612 4.576 209 HA LYS 35 HA LYS 35 7.191 9.303 2.092 210 HB2 LYS 35 HB2 LYS 35 9.652 10.206 2.891 211 HB3 LYS 35 HB1 LYS 35 9.640 8.559 3.504 212 HG2 LYS 35 HG2 LYS 35 10.458 8.122 1.449 213 HG3 LYS 35 HG1 LYS 35 8.742 8.084 1.040 214 HD2 LYS 35 HD2 LYS 35 9.980 9.422 -0.573 215 HD3 LYS 35 HD1 LYS 35 8.864 10.433 0.345 216 HE2 LYS 35 HE2 LYS 35 11.291 10.411 1.774 217 HE3 LYS 35 HE1 LYS 35 11.709 10.650 0.078 218 HZ1 LYS 35 HZ1 LYS 35 9.765 12.273 1.630 219 HZ2 LYS 35 HZ2 LYS 35 10.146 12.498 -0.002 220 HZ3 LYS 35 HZ3 LYS 35 11.325 12.754 1.183 221 H LEU 36 HN LEU 36 7.976 6.907 2.490 222 HA LEU 36 HA LEU 36 6.286 5.902 4.628 223 HB2 LEU 36 HB2 LEU 36 6.836 3.673 3.630 224 HB3 LEU 36 HB1 LEU 36 6.039 4.787 2.535 225 HG LEU 36 HG LEU 36 8.926 4.989 2.331 226 HD11 LEU 36 HD11 LEU 36 7.660 2.298 1.853 227 HD12 LEU 36 HD12 LEU 36 8.977 2.680 2.963 228 HD13 LEU 36 HD13 LEU 36 9.232 2.789 1.221 229 HD21 LEU 36 HD21 LEU 36 6.813 4.207 0.327 230 HD22 LEU 36 HD22 LEU 36 8.447 4.766 -0.027 231 HD23 LEU 36 HD23 LEU 36 7.282 5.863 0.714 232 H THR 37 HN THR 37 7.039 4.518 6.302 233 HA THR 37 HA THR 37 9.570 5.253 7.337 234 HB THR 37 HB THR 37 9.079 3.439 9.041 235 HG1 THR 37 HG1 THR 37 7.672 2.286 7.520 236 HG21 THR 37 HG21 THR 37 7.360 5.792 8.515 237 HG22 THR 37 HG22 THR 37 8.427 5.438 9.876 238 HG23 THR 37 HG23 THR 37 6.856 4.645 9.757 239 HA PRO 38 HA PRO 38 12.622 2.510 5.796 240 HB2 PRO 38 HB2 PRO 38 12.991 1.795 8.682 241 HB3 PRO 38 HB1 PRO 38 14.209 2.210 7.468 242 HG2 PRO 38 HG2 PRO 38 13.483 4.007 9.259 243 HG3 PRO 38 HG1 PRO 38 13.702 4.488 7.565 244 HD2 PRO 38 HD2 PRO 38 11.183 4.055 9.103 245 HD3 PRO 38 HD1 PRO 38 11.539 5.236 7.826 246 H GLY 39 HN GLY 39 12.753 0.410 5.142 247 HA2 GLY 39 HA2 GLY 39 12.476 -1.919 5.306 248 HA3 GLY 39 HA1 GLY 39 11.417 -1.675 6.685 249 H SER 40 HN SER 40 9.644 0.194 5.495 250 HA SER 40 HA SER 40 7.743 -1.476 4.376 251 HB2 SER 40 HB2 SER 40 6.948 0.560 5.240 252 HB3 SER 40 HB1 SER 40 8.101 1.511 4.306 253 HG SER 40 HG SER 40 5.614 0.745 3.643 254 H GLN 41 HN GLN 41 7.853 -2.587 2.550 255 HA GLN 41 HA GLN 41 9.569 -1.861 0.386 256 HB2 GLN 41 HB2 GLN 41 7.992 -4.144 1.167 257 HB3 GLN 41 HB1 GLN 41 7.706 -3.774 -0.528 258 HG2 GLN 41 HG2 GLN 41 10.505 -3.879 0.484 259 HG3 GLN 41 HG1 GLN 41 9.632 -5.383 0.190 260 HE21 GLN 41 HE21 GLN 41 10.597 -2.343 -1.317 261 HE22 GLN 41 HE22 GLN 41 10.698 -2.963 -2.926 262 H CYS 42 HN CYS 42 6.272 -1.235 1.200 263 HA CYS 42 HA CYS 42 5.990 0.415 -1.173 264 HB2 CYS 42 HB2 CYS 42 4.972 -1.363 -2.197 265 HB3 CYS 42 HB1 CYS 42 4.461 -2.089 -0.681 266 H ASN 43 HN ASN 43 4.711 2.167 -0.863 267 HA ASN 43 HA ASN 43 3.988 2.800 1.840 268 HB2 ASN 43 HB2 ASN 43 3.150 4.946 0.775 269 HB3 ASN 43 HB1 ASN 43 4.858 4.595 0.531 270 HD21 ASN 43 HD21 ASN 43 5.553 4.927 -1.441 271 HD22 ASN 43 HD22 ASN 43 4.618 4.816 -2.889 272 H TYR 44 HN TYR 44 2.300 2.033 -1.140 273 HA TYR 44 HA TYR 44 0.046 0.969 0.174 274 HB2 TYR 44 HB2 TYR 44 -1.650 2.597 -0.307 275 HB3 TYR 44 HB1 TYR 44 -0.366 3.414 0.577 276 HD1 TYR 44 HD1 TYR 44 -1.532 2.763 -2.905 277 HD2 TYR 44 HD2 TYR 44 0.495 5.403 -0.256 278 HE1 TYR 44 HE1 TYR 44 -1.375 4.426 -4.700 279 HE2 TYR 44 HE2 TYR 44 0.659 7.081 -2.039 280 HH TYR 44 HH TYR 44 0.350 6.485 -5.160 281 H GLY 45 HN GLY 45 -1.739 0.470 -1.451 282 HA2 GLY 45 HA2 GLY 45 -2.001 0.607 -4.016 283 HA3 GLY 45 HA1 GLY 45 -0.434 -0.185 -4.004 284 H GLU 46 HN GLU 46 -1.970 -1.615 -5.348 285 HA GLU 46 HA GLU 46 -3.880 -3.250 -4.098 286 HB2 GLU 46 HB2 GLU 46 -2.230 -3.487 -6.588 287 HB3 GLU 46 HB1 GLU 46 -3.226 -4.838 -6.063 288 HG2 GLU 46 HG2 GLU 46 -4.867 -3.893 -7.220 289 HG3 GLU 46 HG1 GLU 46 -4.955 -2.710 -5.917 290 H CYS 47 HN CYS 47 -0.395 -3.631 -4.502 291 HA CYS 47 HA CYS 47 -0.496 -6.197 -3.087 292 HB2 CYS 47 HB2 CYS 47 1.445 -4.875 -4.910 293 HB3 CYS 47 HB1 CYS 47 2.086 -5.988 -3.710 294 H CYS 48 HN CYS 48 -0.814 -3.500 -1.765 295 HA CYS 48 HA CYS 48 1.610 -3.485 -0.118 296 HB2 CYS 48 HB2 CYS 48 0.111 -1.410 -1.165 297 HB3 CYS 48 HB1 CYS 48 -0.367 -1.446 0.530 298 H ASP 49 HN ASP 49 1.641 -3.982 1.988 299 HA ASP 49 HA ASP 49 -0.814 -4.313 3.490 300 HB2 ASP 49 HB2 ASP 49 -0.182 -6.501 2.181 301 HB3 ASP 49 HB1 ASP 49 1.023 -6.680 3.452 302 H GLN 50 HN GLN 50 -0.255 -2.989 5.109 303 HA GLN 50 HA GLN 50 0.758 -2.219 6.986 304 HB2 GLN 50 HB2 GLN 50 0.738 -4.533 7.738 305 HB3 GLN 50 HB1 GLN 50 2.220 -4.864 6.856 306 HG2 GLN 50 HG2 GLN 50 2.696 -2.659 8.575 307 HG3 GLN 50 HG1 GLN 50 1.903 -3.925 9.509 308 HE21 GLN 50 HE21 GLN 50 4.504 -3.121 10.002 309 HE22 GLN 50 HE22 GLN 50 5.579 -4.413 9.604 310 H CYS 51 HN CYS 51 3.579 -4.013 5.795 311 HA CYS 51 HA CYS 51 4.797 -1.589 4.769 312 HB2 CYS 51 HB2 CYS 51 6.291 -3.087 6.912 313 HB3 CYS 51 HB1 CYS 51 6.645 -1.503 6.235 314 H ARG 52 HN ARG 52 4.001 -4.130 3.633 315 HA ARG 52 HA ARG 52 6.445 -4.746 2.256 316 HB2 ARG 52 HB2 ARG 52 6.144 -6.195 4.505 317 HB3 ARG 52 HB1 ARG 52 5.218 -7.193 3.393 318 HG2 ARG 52 HG2 ARG 52 7.211 -8.148 3.007 319 HG3 ARG 52 HG1 ARG 52 7.434 -6.775 1.921 320 HD2 ARG 52 HD2 ARG 52 8.304 -5.627 4.140 321 HD3 ARG 52 HD1 ARG 52 8.619 -7.301 4.598 322 HE ARG 52 HE ARG 52 9.627 -6.605 1.998 323 HH11 ARG 52 HH11 ARG 52 10.307 -6.613 5.420 324 HH12 ARG 52 HH12 ARG 52 12.025 -6.597 5.206 325 HH21 ARG 52 HH21 ARG 52 11.886 -6.584 1.713 326 HH22 ARG 52 HH22 ARG 52 12.922 -6.579 3.102 327 H PHE 53 HN PHE 53 6.087 -6.349 0.491 328 HA PHE 53 HA PHE 53 3.629 -5.773 -0.837 329 HB2 PHE 53 HB2 PHE 53 6.006 -7.483 -1.526 330 HB3 PHE 53 HB1 PHE 53 4.559 -7.490 -2.530 331 HD1 PHE 53 HD1 PHE 53 3.786 -4.644 -2.402 332 HD2 PHE 53 HD2 PHE 53 7.603 -6.465 -2.866 333 HE1 PHE 53 HE1 PHE 53 4.586 -2.649 -3.585 334 HE2 PHE 53 HE2 PHE 53 8.415 -4.467 -4.053 335 HZ PHE 53 HZ PHE 53 6.906 -2.553 -4.413 336 H LYS 54 HN LYS 54 1.900 -7.102 -1.287 337 HA LYS 54 HA LYS 54 1.245 -9.069 0.617 338 HB2 LYS 54 HB2 LYS 54 0.063 -8.213 -2.002 339 HB3 LYS 54 HB1 LYS 54 -0.548 -9.656 -1.203 340 HG2 LYS 54 HG2 LYS 54 -1.261 -8.426 0.684 341 HG3 LYS 54 HG1 LYS 54 -0.376 -6.989 0.168 342 HD2 LYS 54 HD2 LYS 54 -2.047 -6.313 -1.158 343 HD3 LYS 54 HD1 LYS 54 -2.271 -7.928 -1.835 344 HE2 LYS 54 HE2 LYS 54 -3.394 -8.482 0.412 345 HE3 LYS 54 HE1 LYS 54 -3.481 -6.736 0.637 346 HZ1 LYS 54 HZ1 LYS 54 -4.445 -7.802 -1.903 347 HZ2 LYS 54 HZ2 LYS 54 -5.030 -6.511 -0.981 348 HZ3 LYS 54 HZ3 LYS 54 -5.396 -8.101 -0.536 349 H LYS 55 HN LYS 55 2.546 -10.813 0.781 350 HA LYS 55 HA LYS 55 4.155 -12.118 -0.858 351 HB2 LYS 55 HB2 LYS 55 3.603 -12.860 1.438 352 HB3 LYS 55 HB1 LYS 55 2.111 -13.567 0.833 353 HG2 LYS 55 HG2 LYS 55 3.590 -15.361 1.005 354 HG3 LYS 55 HG1 LYS 55 3.591 -14.953 -0.712 355 HD2 LYS 55 HD2 LYS 55 5.610 -13.407 0.044 356 HD3 LYS 55 HD1 LYS 55 5.722 -14.608 1.332 357 HE2 LYS 55 HE2 LYS 55 7.004 -15.710 -0.156 358 HE3 LYS 55 HE1 LYS 55 5.450 -16.220 -0.815 359 HZ1 LYS 55 HZ1 LYS 55 7.340 -15.067 -2.271 360 HZ2 LYS 55 HZ2 LYS 55 6.490 -13.686 -1.791 361 HZ3 LYS 55 HZ3 LYS 55 5.691 -14.922 -2.624 362 H ALA 56 HN ALA 56 4.148 -13.098 -2.772 363 HA ALA 56 HA ALA 56 2.192 -13.040 -4.611 364 HB1 ALA 56 HB1 ALA 56 3.246 -15.279 -5.477 365 HB2 ALA 56 HB2 ALA 56 4.440 -14.946 -4.219 366 HB3 ALA 56 HB3 ALA 56 4.163 -13.772 -5.507 367 H GLY 57 HN GLY 57 0.336 -14.022 -5.054 368 HA2 GLY 57 HA2 GLY 57 -1.008 -16.078 -5.036 369 HA3 GLY 57 HA1 GLY 57 -0.370 -16.395 -3.427 370 H THR 58 HN THR 58 -0.699 -13.275 -3.170 371 HA THR 58 HA THR 58 -3.262 -13.432 -1.862 372 HB THR 58 HB THR 58 -1.398 -11.081 -2.293 373 HG1 THR 58 HG1 THR 58 -1.726 -12.908 -0.155 374 HG21 THR 58 HG21 THR 58 -2.824 -9.755 -1.254 375 HG22 THR 58 HG22 THR 58 -3.089 -10.937 0.029 376 HG23 THR 58 HG23 THR 58 -4.040 -11.020 -1.457 377 H VAL 59 HN VAL 59 -5.114 -13.218 -2.964 378 HA VAL 59 HA VAL 59 -5.155 -12.146 -5.605 379 HB VAL 59 HB VAL 59 -6.685 -13.950 -4.998 380 HG11 VAL 59 HG11 VAL 59 -8.112 -13.926 -3.258 381 HG12 VAL 59 HG12 VAL 59 -8.515 -12.223 -3.477 382 HG13 VAL 59 HG13 VAL 59 -7.028 -12.678 -2.644 383 HG21 VAL 59 HG21 VAL 59 -8.704 -13.085 -6.003 384 HG22 VAL 59 HG22 VAL 59 -7.298 -12.388 -6.808 385 HG23 VAL 59 HG23 VAL 59 -8.210 -11.431 -5.640 386 H CYS 60 HN CYS 60 -5.212 -10.071 -6.127 387 HA CYS 60 HA CYS 60 -6.320 -8.153 -4.195 388 HB2 CYS 60 HB2 CYS 60 -4.680 -7.498 -6.635 389 HB3 CYS 60 HB1 CYS 60 -5.038 -6.450 -5.270 390 H ARG 61 HN ARG 61 -6.865 -9.574 -7.278 391 HA ARG 61 HA ARG 61 -9.341 -8.091 -7.575 392 HB2 ARG 61 HB2 ARG 61 -7.328 -6.905 -8.796 393 HB3 ARG 61 HB1 ARG 61 -7.552 -8.180 -9.983 394 HG2 ARG 61 HG2 ARG 61 -9.665 -7.418 -10.588 395 HG3 ARG 61 HG1 ARG 61 -9.853 -6.476 -9.109 396 HD2 ARG 61 HD2 ARG 61 -9.422 -5.126 -11.173 397 HD3 ARG 61 HD1 ARG 61 -8.282 -4.848 -9.861 398 HE ARG 61 HE ARG 61 -7.739 -6.305 -12.354 399 HH11 ARG 61 HH11 ARG 61 -6.571 -4.815 -9.411 400 HH12 ARG 61 HH12 ARG 61 -4.912 -4.892 -9.894 401 HH21 ARG 61 HH21 ARG 61 -5.559 -6.420 -12.967 402 HH22 ARG 61 HH22 ARG 61 -4.337 -5.802 -11.907 403 H ILE 62 HN ILE 62 -10.359 -8.921 -9.811 404 HA ILE 62 HA ILE 62 -9.697 -11.419 -10.819 405 HB ILE 62 HB ILE 62 -10.316 -12.034 -8.427 406 HG12 ILE 62 HG12 ILE 62 -10.047 -13.689 -10.182 407 HG13 ILE 62 HG11 ILE 62 -11.370 -14.133 -9.113 408 HG21 ILE 62 HG21 ILE 62 -12.400 -11.877 -7.622 409 HG22 ILE 62 HG22 ILE 62 -13.141 -12.209 -9.189 410 HG23 ILE 62 HG23 ILE 62 -12.542 -10.591 -8.821 411 HD11 ILE 62 HD11 ILE 62 -12.464 -14.509 -11.017 412 HD12 ILE 62 HD12 ILE 62 -11.376 -13.494 -11.962 413 HD13 ILE 62 HD13 ILE 62 -12.688 -12.761 -11.039 414 H ALA 63 HN ALA 63 -10.840 -11.817 -12.562 415 HA ALA 63 HA ALA 63 -12.573 -9.835 -13.553 416 HB1 ALA 63 HB1 ALA 63 -11.279 -12.191 -14.585 417 HB2 ALA 63 HB2 ALA 63 -11.769 -10.716 -15.414 418 HB3 ALA 63 HB3 ALA 63 -12.919 -12.033 -15.216 419 H ARG 64 HN ARG 64 -13.895 -12.976 -14.216 420 HA ARG 64 HA ARG 64 -15.994 -12.592 -12.218 421 HB2 ARG 64 HB2 ARG 64 -16.734 -11.416 -14.262 422 HB3 ARG 64 HB1 ARG 64 -16.582 -12.919 -15.161 423 HG2 ARG 64 HG2 ARG 64 -18.275 -13.015 -12.749 424 HG3 ARG 64 HG1 ARG 64 -18.881 -12.050 -14.096 425 HD2 ARG 64 HD2 ARG 64 -19.614 -13.935 -15.020 426 HD3 ARG 64 HD1 ARG 64 -17.932 -14.409 -15.250 427 HE ARG 64 HE ARG 64 -18.158 -15.917 -13.543 428 HH11 ARG 64 HH11 ARG 64 -20.839 -13.686 -13.442 429 HH12 ARG 64 HH12 ARG 64 -21.697 -14.577 -12.230 430 HH21 ARG 64 HH21 ARG 64 -19.285 -17.091 -11.949 431 HH22 ARG 64 HH22 ARG 64 -20.815 -16.509 -11.382 432 H GLY 65 HN GLY 65 -15.147 -14.482 -11.235 433 HA2 GLY 65 HA2 GLY 65 -16.233 -16.775 -11.164 434 HA3 GLY 65 HA1 GLY 65 -15.577 -16.955 -12.784 435 H ASP 66 HN ASP 66 -13.597 -17.750 -13.019 436 HA ASP 66 HA ASP 66 -11.449 -17.382 -11.286 437 HB2 ASP 66 HB2 ASP 66 -11.285 -19.638 -10.260 438 HB3 ASP 66 HB1 ASP 66 -12.675 -18.726 -9.679 439 H TRP 67 HN TRP 67 -10.446 -17.097 -13.252 440 HA TRP 67 HA TRP 67 -9.923 -19.560 -14.786 441 HB2 TRP 67 HB2 TRP 67 -9.294 -17.356 -16.420 442 HB3 TRP 67 HB1 TRP 67 -10.648 -18.462 -16.603 443 HD1 TRP 67 HD1 TRP 67 -9.925 -15.197 -14.578 444 HE1 TRP 67 HE1 TRP 67 -12.074 -13.814 -14.563 445 HE3 TRP 67 HE3 TRP 67 -12.953 -18.392 -17.161 446 HZ2 TRP 67 HZ2 TRP 67 -14.712 -14.027 -15.539 447 HZ3 TRP 67 HZ3 TRP 67 -15.284 -17.723 -17.589 448 HH2 TRP 67 HH2 TRP 67 -16.145 -15.581 -16.791 449 H ASN 68 HN ASN 68 -8.549 -16.326 -14.560 450 HA ASN 68 HA ASN 68 -5.877 -17.501 -14.197 451 HB2 ASN 68 HB2 ASN 68 -6.260 -14.649 -14.991 452 HB3 ASN 68 HB1 ASN 68 -4.959 -15.760 -15.408 453 HD21 ASN 68 HD21 ASN 68 -8.375 -15.076 -15.992 454 HD22 ASN 68 HD22 ASN 68 -8.407 -15.688 -17.607 455 H ASP 69 HN ASP 69 -8.202 -15.164 -13.048 456 HA ASP 69 HA ASP 69 -8.392 -14.004 -11.099 457 HB2 ASP 69 HB2 ASP 69 -6.537 -16.214 -10.339 458 HB3 ASP 69 HB1 ASP 69 -6.837 -14.905 -9.204 459 H ASP 70 HN ASP 70 -7.156 -12.683 -9.500 460 HA ASP 70 HA ASP 70 -4.743 -11.609 -10.775 461 HB2 ASP 70 HB2 ASP 70 -6.745 -10.077 -10.756 462 HB3 ASP 70 HB1 ASP 70 -6.649 -10.094 -8.999 463 H TYR 71 HN TYR 71 -2.965 -12.056 -9.678 464 HA TYR 71 HA TYR 71 -3.154 -12.137 -6.749 465 HB2 TYR 71 HB2 TYR 71 -1.952 -14.164 -8.599 466 HB3 TYR 71 HB1 TYR 71 -1.468 -14.044 -6.909 467 HD1 TYR 71 HD2 TYR 71 -3.281 -14.176 -5.167 468 HD2 TYR 71 HD1 TYR 71 -3.864 -15.379 -9.190 469 HE1 TYR 71 HE2 TYR 71 -5.185 -15.529 -4.456 470 HE2 TYR 71 HE1 TYR 71 -5.788 -16.741 -8.521 471 HH TYR 71 HH TYR 71 -6.431 -17.912 -6.007 472 H CYS 72 HN CYS 72 -1.467 -11.456 -5.594 473 HA CYS 72 HA CYS 72 0.335 -9.630 -6.781 474 HB2 CYS 72 HB2 CYS 72 -0.567 -9.679 -4.377 475 HB3 CYS 72 HB1 CYS 72 0.688 -10.874 -4.064 476 H THR 73 HN THR 73 2.724 -9.775 -6.568 477 HA THR 73 HA THR 73 3.659 -12.537 -6.993 478 HB THR 73 HB THR 73 5.082 -11.835 -8.734 479 HG1 THR 73 HG1 THR 73 4.472 -9.142 -8.098 480 HG21 THR 73 HG21 THR 73 3.041 -9.895 -9.515 481 HG22 THR 73 HG22 THR 73 2.407 -11.469 -9.032 482 HG23 THR 73 HG23 THR 73 3.597 -11.356 -10.330 483 H GLY 74 HN GLY 74 3.724 -10.244 -4.764 484 HA2 GLY 74 HA2 GLY 74 5.140 -9.650 -3.064 485 HA3 GLY 74 HA1 GLY 74 5.891 -11.214 -3.339 486 H LYS 75 HN LYS 75 5.885 -8.908 -5.925 487 HA LYS 75 HA LYS 75 8.632 -8.110 -5.272 488 HB2 LYS 75 HB2 LYS 75 7.848 -8.961 -8.052 489 HB3 LYS 75 HB1 LYS 75 9.461 -8.645 -7.428 490 HG2 LYS 75 HG2 LYS 75 8.548 -10.659 -5.793 491 HG3 LYS 75 HG1 LYS 75 7.880 -11.081 -7.370 492 HD2 LYS 75 HD2 LYS 75 10.780 -10.492 -6.778 493 HD3 LYS 75 HD1 LYS 75 10.082 -12.093 -7.031 494 HE2 LYS 75 HE2 LYS 75 10.622 -11.819 -9.180 495 HE3 LYS 75 HE1 LYS 75 9.258 -10.704 -9.256 496 HZ1 LYS 75 HZ1 LYS 75 10.825 -9.286 -9.973 497 HZ2 LYS 75 HZ2 LYS 75 12.103 -10.154 -9.285 498 HZ3 LYS 75 HZ3 LYS 75 11.183 -9.105 -8.329 499 H SER 76 HN SER 76 5.675 -6.975 -5.735 500 HA SER 76 HA SER 76 6.564 -4.374 -6.446 501 HB2 SER 76 HB2 SER 76 6.522 -5.464 -8.697 502 HB3 SER 76 HB1 SER 76 4.792 -5.730 -8.487 503 HG SER 76 HG SER 76 4.427 -3.595 -8.625 504 H SER 77 HN SER 77 4.689 -2.839 -6.694 505 HA SER 77 HA SER 77 2.711 -3.474 -4.663 506 HB2 SER 77 HB2 SER 77 4.035 -1.262 -4.859 507 HB3 SER 77 HB1 SER 77 2.902 -0.862 -6.149 508 HG SER 77 HG SER 77 2.092 -0.076 -4.221 509 H ASP 78 HN ASP 78 2.782 -4.322 -7.709 510 HA ASP 78 HA ASP 78 -0.008 -3.562 -8.265 511 HB2 ASP 78 HB2 ASP 78 2.364 -3.939 -10.022 512 HB3 ASP 78 HB1 ASP 78 0.800 -4.436 -10.661 513 H CYS 79 HN CYS 79 -1.469 -5.119 -8.894 514 HA CYS 79 HA CYS 79 -0.620 -7.921 -8.497 515 HB2 CYS 79 HB2 CYS 79 -2.641 -6.378 -7.181 516 HB3 CYS 79 HB1 CYS 79 -3.424 -7.660 -8.097 517 HA PRO 80 HA PRO 80 -2.031 -7.937 -12.829 518 HB2 PRO 80 HB2 PRO 80 -0.940 -10.338 -13.455 519 HB3 PRO 80 HB1 PRO 80 0.010 -8.850 -13.382 520 HG2 PRO 80 HG2 PRO 80 -0.285 -11.008 -11.324 521 HG3 PRO 80 HG1 PRO 80 1.186 -10.183 -11.875 522 HD2 PRO 80 HD2 PRO 80 -0.069 -9.504 -9.583 523 HD3 PRO 80 HD1 PRO 80 0.767 -8.308 -10.593 524 H TRP 81 HN TRP 81 -4.003 -8.542 -13.441 525 HA TRP 81 HA TRP 81 -5.366 -10.702 -12.048 526 HB2 TRP 81 HB2 TRP 81 -7.406 -9.859 -13.119 527 HB3 TRP 81 HB1 TRP 81 -6.574 -8.636 -12.177 528 HD1 TRP 81 HD1 TRP 81 -4.555 -8.523 -15.111 529 HE1 TRP 81 HE1 TRP 81 -5.415 -6.797 -16.814 530 HE3 TRP 81 HE3 TRP 81 -9.254 -7.918 -13.301 531 HZ2 TRP 81 HZ2 TRP 81 -7.804 -5.360 -17.309 532 HZ3 TRP 81 HZ3 TRP 81 -10.790 -6.353 -14.433 533 HH2 TRP 81 HH2 TRP 81 -10.072 -5.102 -16.404 534 H ASN 82 HN ASN 82 -3.808 -10.198 -14.963 535 HA ASN 82 HA ASN 82 -3.471 -11.464 -16.821 536 HB2 ASN 82 HB2 ASN 82 -4.423 -13.463 -14.814 537 HB3 ASN 82 HB1 ASN 82 -4.270 -13.963 -16.495 538 HD21 ASN 82 HD21 ASN 82 -2.739 -14.106 -13.701 539 HD22 ASN 82 HD22 ASN 82 -1.092 -14.055 -14.219 540 H HIS 83 HN HIS 83 -5.634 -9.859 -17.014 541 HA HIS 83 HA HIS 83 -7.462 -11.493 -18.623 542 HB2 HIS 83 HB2 HIS 83 -8.442 -9.262 -16.841 543 HB3 HIS 83 HB1 HIS 83 -9.411 -10.410 -17.759 544 HD1 HIS 83 HD1 HIS 83 -8.989 -9.805 -14.478 545 HD2 HIS 83 HD2 HIS 83 -8.144 -13.201 -16.709 546 HE1 HIS 83 HE1 HIS 83 -8.946 -11.699 -12.828 547 HE2 HIS 83 HE2 HIS 83 -8.593 -13.760 -14.230 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 -3.703 16.157 20.766 2 H2 SER 1 HT2 SER 1 -2.514 15.569 21.855 3 H3 SER 1 HT3 SER 1 -3.892 14.614 21.487 4 HA SER 1 HA SER 1 -1.879 13.882 20.375 5 HB2 SER 1 HB2 SER 1 -4.440 13.979 19.501 6 HB3 SER 1 HB1 SER 1 -3.639 14.855 18.196 7 HG SER 1 HG SER 1 -3.475 12.782 17.587 8 HA PRO 2 HA PRO 2 0.670 16.861 18.340 9 HB2 PRO 2 HB2 PRO 2 1.490 15.151 16.200 10 HB3 PRO 2 HB1 PRO 2 2.318 15.445 17.727 11 HG2 PRO 2 HG2 PRO 2 1.173 13.037 16.981 12 HG3 PRO 2 HG1 PRO 2 1.548 13.515 18.644 13 HD2 PRO 2 HD2 PRO 2 -1.066 13.572 17.196 14 HD3 PRO 2 HD1 PRO 2 -0.722 13.180 18.895 15 HA PRO 3 HA PRO 3 -1.212 18.650 14.765 16 HB2 PRO 3 HB2 PRO 3 0.801 19.905 13.530 17 HB3 PRO 3 HB1 PRO 3 0.263 20.393 15.142 18 HG2 PRO 3 HG2 PRO 3 2.618 18.726 14.355 19 HG3 PRO 3 HG1 PRO 3 2.508 19.999 15.583 20 HD2 PRO 3 HD2 PRO 3 2.390 17.303 16.129 21 HD3 PRO 3 HD1 PRO 3 1.692 18.564 17.164 22 H VAL 4 HN VAL 4 -1.941 17.982 12.849 23 HA VAL 4 HA VAL 4 -1.078 15.731 11.587 24 HB VAL 4 HB VAL 4 -3.309 16.888 11.450 25 HG11 VAL 4 HG11 VAL 4 -3.723 18.637 9.963 26 HG12 VAL 4 HG12 VAL 4 -2.151 18.472 9.184 27 HG13 VAL 4 HG13 VAL 4 -2.259 19.114 10.822 28 HG21 VAL 4 HG21 VAL 4 -3.786 16.129 9.196 29 HG22 VAL 4 HG22 VAL 4 -2.799 14.973 10.081 30 HG23 VAL 4 HG23 VAL 4 -2.061 16.015 8.864 31 H CYS 5 HN CYS 5 1.127 15.785 11.242 32 HA CYS 5 HA CYS 5 2.475 17.898 9.913 33 HB2 CYS 5 HB2 CYS 5 3.559 15.117 9.755 34 HB3 CYS 5 HB1 CYS 5 4.398 16.622 10.096 35 H GLY 6 HN GLY 6 1.546 18.445 8.000 36 HA2 GLY 6 HA2 GLY 6 1.679 18.269 5.640 37 HA3 GLY 6 HA1 GLY 6 1.881 16.530 5.808 38 H ASN 7 HN ASN 7 -0.586 17.774 7.785 39 HA ASN 7 HA ASN 7 -2.849 17.593 7.783 40 HB2 ASN 7 HB2 ASN 7 -2.199 18.437 5.016 41 HB3 ASN 7 HB1 ASN 7 -3.791 17.710 5.226 42 HD21 ASN 7 HD21 ASN 7 -5.365 18.834 6.240 43 HD22 ASN 7 HD22 ASN 7 -5.182 20.451 6.818 44 H LYS 8 HN LYS 8 -4.428 16.004 7.665 45 HA LYS 8 HA LYS 8 -3.694 13.377 7.437 46 HB2 LYS 8 HB2 LYS 8 -5.781 14.075 8.494 47 HB3 LYS 8 HB1 LYS 8 -6.429 14.569 6.936 48 HG2 LYS 8 HG2 LYS 8 -7.397 12.475 7.485 49 HG3 LYS 8 HG1 LYS 8 -6.231 12.192 6.191 50 HD2 LYS 8 HD2 LYS 8 -6.056 10.468 7.904 51 HD3 LYS 8 HD1 LYS 8 -4.586 11.442 7.846 52 HE2 LYS 8 HE2 LYS 8 -5.402 10.936 10.151 53 HE3 LYS 8 HE1 LYS 8 -5.225 12.654 9.799 54 HZ1 LYS 8 HZ1 LYS 8 -7.356 11.778 10.960 55 HZ2 LYS 8 HZ2 LYS 8 -7.833 11.361 9.392 56 HZ3 LYS 8 HZ3 LYS 8 -7.483 12.972 9.767 57 H ILE 9 HN ILE 9 -2.684 12.534 5.704 58 HA ILE 9 HA ILE 9 -2.857 13.373 3.093 59 HB ILE 9 HB ILE 9 -2.150 11.208 2.285 60 HG12 ILE 9 HG12 ILE 9 -3.620 10.143 4.378 61 HG13 ILE 9 HG11 ILE 9 -2.562 9.256 3.286 62 HG21 ILE 9 HG21 ILE 9 -0.841 12.233 4.762 63 HG22 ILE 9 HG22 ILE 9 -0.407 12.520 3.078 64 HG23 ILE 9 HG23 ILE 9 -0.137 10.935 3.803 65 HD11 ILE 9 HD11 ILE 9 -1.851 10.351 5.991 66 HD12 ILE 9 HD12 ILE 9 -0.716 9.582 4.883 67 HD13 ILE 9 HD13 ILE 9 -2.064 8.660 5.545 68 H LEU 10 HN LEU 10 -4.227 13.302 1.488 69 HA LEU 10 HA LEU 10 -6.779 11.972 1.938 70 HB2 LEU 10 HB2 LEU 10 -7.534 13.398 0.006 71 HB3 LEU 10 HB1 LEU 10 -7.046 14.266 1.450 72 HG LEU 10 HG LEU 10 -6.313 15.133 -0.884 73 HD11 LEU 10 HD11 LEU 10 -5.374 15.481 1.671 74 HD12 LEU 10 HD12 LEU 10 -4.952 16.460 0.267 75 HD13 LEU 10 HD13 LEU 10 -3.913 15.120 0.751 76 HD21 LEU 10 HD21 LEU 10 -4.163 14.304 -1.653 77 HD22 LEU 10 HD22 LEU 10 -5.376 13.025 -1.696 78 HD23 LEU 10 HD23 LEU 10 -4.179 13.060 -0.403 79 H GLU 11 HN GLU 11 -4.073 10.945 0.807 80 HA GLU 11 HA GLU 11 -5.057 8.853 -0.736 81 HB2 GLU 11 HB2 GLU 11 -4.480 9.440 -2.988 82 HB3 GLU 11 HB1 GLU 11 -5.535 10.696 -2.361 83 HG2 GLU 11 HG2 GLU 11 -4.030 12.219 -2.895 84 HG3 GLU 11 HG1 GLU 11 -2.888 11.472 -1.777 85 H GLN 12 HN GLN 12 -3.113 9.123 1.294 86 HA GLN 12 HA GLN 12 -0.749 8.195 -0.176 87 HB2 GLN 12 HB2 GLN 12 -0.552 9.866 2.318 88 HB3 GLN 12 HB1 GLN 12 0.746 9.392 1.243 89 HG2 GLN 12 HG2 GLN 12 -1.504 11.069 0.227 90 HG3 GLN 12 HG1 GLN 12 -0.201 11.802 1.161 91 HE21 GLN 12 HE21 GLN 12 -1.155 10.482 -1.853 92 HE22 GLN 12 HE22 GLN 12 0.324 10.764 -2.700 93 H GLY 13 HN GLY 13 -0.749 8.530 3.303 94 HA2 GLY 13 HA2 GLY 13 -1.075 6.936 4.976 95 HA3 GLY 13 HA1 GLY 13 -1.496 5.760 3.737 96 H GLU 14 HN GLU 14 1.309 7.573 3.147 97 HA GLU 14 HA GLU 14 3.453 6.696 4.396 98 HB2 GLU 14 HB2 GLU 14 2.247 4.357 3.046 99 HB3 GLU 14 HB1 GLU 14 3.975 4.562 2.811 100 HG2 GLU 14 HG2 GLU 14 4.412 4.410 5.123 101 HG3 GLU 14 HG1 GLU 14 2.704 4.561 5.528 102 H ASP 15 HN ASP 15 1.901 7.346 1.446 103 HA ASP 15 HA ASP 15 4.102 7.352 -0.306 104 HB2 ASP 15 HB2 ASP 15 1.816 7.444 -1.125 105 HB3 ASP 15 HB1 ASP 15 1.561 8.992 -0.333 106 H CYS 16 HN CYS 16 2.548 10.092 1.393 107 HA CYS 16 HA CYS 16 4.765 11.300 2.416 108 HB2 CYS 16 HB2 CYS 16 5.976 11.859 0.606 109 HB3 CYS 16 HB1 CYS 16 4.637 11.585 -0.484 110 H ASP 17 HN ASP 17 4.162 12.950 3.657 111 HA ASP 17 HA ASP 17 3.037 14.817 4.389 112 HB2 ASP 17 HB2 ASP 17 2.183 14.831 1.791 113 HB3 ASP 17 HB1 ASP 17 0.670 14.569 2.652 114 H CYS 18 HN CYS 18 2.761 12.005 5.105 115 HA CYS 18 HA CYS 18 0.493 10.818 5.649 116 HB2 CYS 18 HB2 CYS 18 2.946 10.979 7.016 117 HB3 CYS 18 HB1 CYS 18 1.690 11.146 8.242 118 H GLY 19 HN GLY 19 1.419 13.775 7.397 119 HA2 GLY 19 HA2 GLY 19 0.079 15.316 8.494 120 HA3 GLY 19 HA1 GLY 19 -1.283 14.591 7.666 121 H SER 20 HN SER 20 -1.867 12.329 8.544 122 HA SER 20 HA SER 20 -2.794 12.621 11.106 123 HB2 SER 20 HB2 SER 20 -3.415 10.352 11.066 124 HB3 SER 20 HB1 SER 20 -3.465 10.878 9.386 125 HG SER 20 HG SER 20 -2.057 9.386 8.974 126 HA PRO 21 HA PRO 21 1.148 12.717 13.225 127 HB2 PRO 21 HB2 PRO 21 -0.838 12.730 15.460 128 HB3 PRO 21 HB1 PRO 21 0.586 13.749 15.216 129 HG2 PRO 21 HG2 PRO 21 -1.840 14.712 14.725 130 HG3 PRO 21 HG1 PRO 21 -0.485 15.096 13.646 131 HD2 PRO 21 HD2 PRO 21 -2.742 13.181 13.248 132 HD3 PRO 21 HD1 PRO 21 -1.924 14.206 12.056 133 H ALA 22 HN ALA 22 -1.496 10.475 13.639 134 HA ALA 22 HA ALA 22 -0.437 8.743 15.538 135 HB1 ALA 22 HB1 ALA 22 -1.880 7.043 14.604 136 HB2 ALA 22 HB2 ALA 22 -2.050 7.964 13.110 137 HB3 ALA 22 HB3 ALA 22 -2.725 8.591 14.613 138 H ASN 23 HN ASN 23 0.555 9.369 12.299 139 HA ASN 23 HA ASN 23 2.451 7.122 12.435 140 HB2 ASN 23 HB2 ASN 23 0.890 8.246 10.140 141 HB3 ASN 23 HB1 ASN 23 2.447 7.481 9.840 142 HD21 ASN 23 HD21 ASN 23 2.447 5.377 9.521 143 HD22 ASN 23 HD22 ASN 23 1.185 4.283 9.965 144 H CYS 24 HN CYS 24 2.168 10.475 12.494 145 HA CYS 24 HA CYS 24 4.354 11.332 10.969 146 HB2 CYS 24 HB2 CYS 24 2.641 12.848 11.942 147 HB3 CYS 24 HB1 CYS 24 3.320 12.557 13.539 148 H GLN 25 HN GLN 25 5.931 9.678 11.327 149 HA GLN 25 HA GLN 25 7.867 8.873 12.200 150 HB2 GLN 25 HB2 GLN 25 7.745 11.445 13.783 151 HB3 GLN 25 HB1 GLN 25 9.136 10.371 13.743 152 HG2 GLN 25 HG2 GLN 25 8.016 11.433 11.192 153 HG3 GLN 25 HG1 GLN 25 9.042 12.456 12.197 154 HE21 GLN 25 HE21 GLN 25 10.875 12.547 11.062 155 HE22 GLN 25 HE22 GLN 25 11.811 11.179 10.576 156 H ASP 26 HN ASP 26 6.334 7.231 13.125 157 HA ASP 26 HA ASP 26 7.050 6.598 15.751 158 HB2 ASP 26 HB2 ASP 26 5.236 8.575 15.891 159 HB3 ASP 26 HB1 ASP 26 4.145 7.194 15.817 160 H ARG 27 HN ARG 27 4.597 6.248 13.229 161 HA ARG 27 HA ARG 27 4.125 3.489 14.062 162 HB2 ARG 27 HB2 ARG 27 2.147 4.810 13.613 163 HB3 ARG 27 HB1 ARG 27 2.732 5.206 12.004 164 HG2 ARG 27 HG2 ARG 27 1.056 3.521 11.808 165 HG3 ARG 27 HG1 ARG 27 2.617 2.791 11.431 166 HD2 ARG 27 HD2 ARG 27 1.936 1.194 12.863 167 HD3 ARG 27 HD1 ARG 27 2.490 2.334 14.089 168 HE ARG 27 HE ARG 27 -0.149 2.972 13.535 169 HH11 ARG 27 HH11 ARG 27 1.629 0.259 14.823 170 HH12 ARG 27 HH12 ARG 27 0.321 -0.285 15.819 171 HH21 ARG 27 HH21 ARG 27 -1.870 2.258 14.844 172 HH22 ARG 27 HH22 ARG 27 -1.666 0.849 15.831 173 H CYS 28 HN CYS 28 3.876 4.435 10.694 174 HA CYS 28 HA CYS 28 6.362 3.110 10.000 175 HB2 CYS 28 HB2 CYS 28 4.407 1.397 10.217 176 HB3 CYS 28 HB1 CYS 28 3.862 2.084 8.692 177 H CYS 29 HN CYS 29 5.174 5.790 9.737 178 HA CYS 29 HA CYS 29 5.707 6.132 6.901 179 HB2 CYS 29 HB2 CYS 29 3.387 5.920 6.679 180 HB3 CYS 29 HB1 CYS 29 3.067 6.738 8.199 181 H ASN 30 HN ASN 30 6.128 8.341 6.312 182 HA ASN 30 HA ASN 30 7.058 9.935 8.604 183 HB2 ASN 30 HB2 ASN 30 8.007 9.750 5.756 184 HB3 ASN 30 HB1 ASN 30 8.431 11.097 6.789 185 HD21 ASN 30 HD21 ASN 30 8.935 10.035 9.166 186 HD22 ASN 30 HD22 ASN 30 10.227 8.890 9.086 187 H ALA 31 HN ALA 31 5.414 11.166 9.129 188 HA ALA 31 HA ALA 31 3.843 12.579 7.148 189 HB1 ALA 31 HB1 ALA 31 3.082 11.686 9.496 190 HB2 ALA 31 HB2 ALA 31 2.430 13.199 8.872 191 HB3 ALA 31 HB3 ALA 31 3.726 13.222 10.061 192 H ALA 32 HN ALA 32 6.674 13.003 9.000 193 HA ALA 32 HA ALA 32 6.745 15.896 8.461 194 HB1 ALA 32 HB1 ALA 32 8.518 14.234 10.252 195 HB2 ALA 32 HB2 ALA 32 7.149 15.210 10.787 196 HB3 ALA 32 HB3 ALA 32 8.564 15.989 10.078 197 H THR 33 HN THR 33 7.850 12.923 7.321 198 HA THR 33 HA THR 33 10.086 14.185 5.895 199 HB THR 33 HB THR 33 10.203 11.303 5.890 200 HG1 THR 33 HG1 THR 33 10.072 12.579 8.421 201 HG21 THR 33 HG21 THR 33 12.040 13.091 7.394 202 HG22 THR 33 HG22 THR 33 12.053 13.047 5.630 203 HG23 THR 33 HG23 THR 33 12.384 11.581 6.554 204 H CYS 34 HN CYS 34 7.046 13.549 5.346 205 HA CYS 34 HA CYS 34 5.754 12.761 3.634 206 HB2 CYS 34 HB2 CYS 34 7.450 14.860 2.837 207 HB3 CYS 34 HB1 CYS 34 7.368 13.749 1.477 208 H LYS 35 HN LYS 35 6.917 10.543 4.323 209 HA LYS 35 HA LYS 35 7.064 9.075 1.916 210 HB2 LYS 35 HB2 LYS 35 9.485 10.268 2.619 211 HB3 LYS 35 HB1 LYS 35 9.645 8.585 3.102 212 HG2 LYS 35 HG2 LYS 35 10.366 8.399 0.966 213 HG3 LYS 35 HG1 LYS 35 8.637 8.192 0.680 214 HD2 LYS 35 HD2 LYS 35 8.449 10.169 -0.389 215 HD3 LYS 35 HD1 LYS 35 9.583 10.977 0.694 216 HE2 LYS 35 HE2 LYS 35 11.456 9.991 -0.465 217 HE3 LYS 35 HE1 LYS 35 10.368 9.053 -1.488 218 HZ1 LYS 35 HZ1 LYS 35 10.634 12.010 -1.444 219 HZ2 LYS 35 HZ2 LYS 35 9.495 11.162 -2.363 220 HZ3 LYS 35 HZ3 LYS 35 11.146 10.971 -2.677 221 H LEU 36 HN LEU 36 7.366 6.811 2.208 222 HA LEU 36 HA LEU 36 6.195 5.814 4.584 223 HB2 LEU 36 HB2 LEU 36 6.879 3.570 3.677 224 HB3 LEU 36 HB1 LEU 36 5.897 4.545 2.601 225 HG LEU 36 HG LEU 36 8.807 4.834 2.237 226 HD11 LEU 36 HD11 LEU 36 9.073 2.577 2.465 227 HD12 LEU 36 HD12 LEU 36 8.603 2.661 0.767 228 HD13 LEU 36 HD13 LEU 36 7.413 2.219 1.991 229 HD21 LEU 36 HD21 LEU 36 8.199 5.404 0.149 230 HD22 LEU 36 HD22 LEU 36 6.596 5.582 0.862 231 HD23 LEU 36 HD23 LEU 36 7.026 4.092 0.021 232 H THR 37 HN THR 37 7.216 4.291 6.123 233 HA THR 37 HA THR 37 9.802 5.317 6.920 234 HB THR 37 HB THR 37 9.471 3.808 8.904 235 HG1 THR 37 HG1 THR 37 8.106 2.273 8.114 236 HG21 THR 37 HG21 THR 37 7.544 5.959 8.186 237 HG22 THR 37 HG22 THR 37 8.822 5.942 9.402 238 HG23 THR 37 HG23 THR 37 7.329 5.045 9.680 239 HA PRO 38 HA PRO 38 12.731 2.336 5.606 240 HB2 PRO 38 HB2 PRO 38 13.065 1.786 8.536 241 HB3 PRO 38 HB1 PRO 38 14.305 2.028 7.296 242 HG2 PRO 38 HG2 PRO 38 13.701 3.998 8.949 243 HG3 PRO 38 HG1 PRO 38 13.956 4.334 7.226 244 HD2 PRO 38 HD2 PRO 38 11.418 4.227 8.780 245 HD3 PRO 38 HD1 PRO 38 11.848 5.236 7.384 246 H GLY 39 HN GLY 39 12.609 0.255 4.962 247 HA2 GLY 39 HA2 GLY 39 12.235 -2.058 5.228 248 HA3 GLY 39 HA1 GLY 39 11.278 -1.716 6.660 249 H SER 40 HN SER 40 9.666 0.329 5.326 250 HA SER 40 HA SER 40 7.536 -1.249 4.467 251 HB2 SER 40 HB2 SER 40 7.159 0.997 5.276 252 HB3 SER 40 HB1 SER 40 8.112 1.676 3.959 253 HG SER 40 HG SER 40 5.534 0.588 3.923 254 H GLN 41 HN GLN 41 7.402 -2.460 2.707 255 HA GLN 41 HA GLN 41 9.101 -2.089 0.444 256 HB2 GLN 41 HB2 GLN 41 6.643 -3.837 0.573 257 HB3 GLN 41 HB1 GLN 41 8.041 -4.026 -0.476 258 HG2 GLN 41 HG2 GLN 41 7.979 -4.394 2.510 259 HG3 GLN 41 HG1 GLN 41 8.095 -5.663 1.291 260 HE21 GLN 41 HE21 GLN 41 9.935 -4.659 -0.430 261 HE22 GLN 41 HE22 GLN 41 11.461 -4.486 0.361 262 H CYS 42 HN CYS 42 5.944 -0.990 1.310 263 HA CYS 42 HA CYS 42 5.802 0.668 -1.021 264 HB2 CYS 42 HB2 CYS 42 4.982 -1.385 -2.015 265 HB3 CYS 42 HB1 CYS 42 3.829 -1.600 -0.703 266 H ASN 43 HN ASN 43 4.534 2.422 -0.695 267 HA ASN 43 HA ASN 43 3.609 2.927 1.947 268 HB2 ASN 43 HB2 ASN 43 2.748 5.074 0.918 269 HB3 ASN 43 HB1 ASN 43 4.472 4.782 0.709 270 HD21 ASN 43 HD21 ASN 43 5.225 5.124 -1.243 271 HD22 ASN 43 HD22 ASN 43 4.324 5.051 -2.714 272 H TYR 44 HN TYR 44 2.068 2.175 -1.116 273 HA TYR 44 HA TYR 44 -0.171 0.969 0.055 274 HB2 TYR 44 HB2 TYR 44 -1.924 2.541 -0.276 275 HB3 TYR 44 HB1 TYR 44 -0.658 3.396 0.598 276 HD1 TYR 44 HD1 TYR 44 -1.911 2.809 -2.868 277 HD2 TYR 44 HD2 TYR 44 0.080 5.450 -0.190 278 HE1 TYR 44 HE1 TYR 44 -1.905 4.548 -4.599 279 HE2 TYR 44 HE2 TYR 44 0.091 7.200 -1.908 280 HH TYR 44 HH TYR 44 -0.559 6.599 -5.150 281 H GLY 45 HN GLY 45 -1.836 0.390 -1.579 282 HA2 GLY 45 HA2 GLY 45 -2.035 0.762 -4.186 283 HA3 GLY 45 HA1 GLY 45 -0.509 -0.109 -4.133 284 H GLU 46 HN GLU 46 -2.073 -1.460 -5.580 285 HA GLU 46 HA GLU 46 -4.086 -3.005 -4.381 286 HB2 GLU 46 HB2 GLU 46 -2.438 -3.224 -6.862 287 HB3 GLU 46 HB1 GLU 46 -3.411 -4.601 -6.364 288 HG2 GLU 46 HG2 GLU 46 -5.410 -3.461 -6.655 289 HG3 GLU 46 HG1 GLU 46 -4.634 -1.883 -6.558 290 H CYS 47 HN CYS 47 -0.615 -3.378 -4.560 291 HA CYS 47 HA CYS 47 -0.849 -5.882 -3.019 292 HB2 CYS 47 HB2 CYS 47 1.313 -4.930 -4.899 293 HB3 CYS 47 HB1 CYS 47 1.518 -6.303 -3.816 294 H CYS 48 HN CYS 48 -1.043 -3.316 -1.791 295 HA CYS 48 HA CYS 48 1.411 -3.404 -0.171 296 HB2 CYS 48 HB2 CYS 48 -0.008 -0.821 -0.772 297 HB3 CYS 48 HB1 CYS 48 1.606 -1.055 -0.108 298 H ASP 49 HN ASP 49 0.978 -3.859 1.853 299 HA ASP 49 HA ASP 49 -1.410 -2.739 3.119 300 HB2 ASP 49 HB2 ASP 49 -1.695 -5.198 2.293 301 HB3 ASP 49 HB1 ASP 49 -0.666 -5.596 3.666 302 H GLN 50 HN GLN 50 -0.988 -1.916 5.072 303 HA GLN 50 HA GLN 50 0.095 -1.355 6.989 304 HB2 GLN 50 HB2 GLN 50 1.336 -4.086 6.621 305 HB3 GLN 50 HB1 GLN 50 1.573 -3.084 8.045 306 HG2 GLN 50 HG2 GLN 50 -1.026 -3.077 8.137 307 HG3 GLN 50 HG1 GLN 50 -0.874 -4.510 7.121 308 HE21 GLN 50 HE21 GLN 50 -1.160 -6.239 8.325 309 HE22 GLN 50 HE22 GLN 50 -0.470 -6.523 9.883 310 H CYS 51 HN CYS 51 2.732 -3.230 5.518 311 HA CYS 51 HA CYS 51 4.094 -0.965 4.480 312 HB2 CYS 51 HB2 CYS 51 4.651 -1.776 7.265 313 HB3 CYS 51 HB1 CYS 51 6.073 -1.547 6.253 314 H ARG 52 HN ARG 52 3.358 -3.503 3.520 315 HA ARG 52 HA ARG 52 5.883 -4.385 2.479 316 HB2 ARG 52 HB2 ARG 52 5.264 -5.609 4.791 317 HB3 ARG 52 HB1 ARG 52 4.366 -6.635 3.681 318 HG2 ARG 52 HG2 ARG 52 6.325 -7.754 3.642 319 HG3 ARG 52 HG1 ARG 52 6.692 -6.572 2.384 320 HD2 ARG 52 HD2 ARG 52 7.584 -5.125 4.328 321 HD3 ARG 52 HD1 ARG 52 7.596 -6.634 5.240 322 HE ARG 52 HE ARG 52 8.928 -6.811 2.700 323 HH11 ARG 52 HH11 ARG 52 9.290 -5.952 6.063 324 HH12 ARG 52 HH12 ARG 52 11.003 -6.203 6.073 325 HH21 ARG 52 HH21 ARG 52 11.182 -7.143 2.711 326 HH22 ARG 52 HH22 ARG 52 12.077 -6.879 4.169 327 H PHE 53 HN PHE 53 5.635 -5.870 0.682 328 HA PHE 53 HA PHE 53 3.308 -5.332 -0.841 329 HB2 PHE 53 HB2 PHE 53 5.633 -7.200 -1.275 330 HB3 PHE 53 HB1 PHE 53 4.288 -7.100 -2.412 331 HD1 PHE 53 HD2 PHE 53 3.650 -4.474 -2.843 332 HD2 PHE 53 HD1 PHE 53 7.493 -6.058 -1.963 333 HE1 PHE 53 HE2 PHE 53 4.683 -2.545 -3.940 334 HE2 PHE 53 HE1 PHE 53 8.546 -4.123 -3.063 335 HZ PHE 53 HZ PHE 53 7.140 -2.359 -4.057 336 H LYS 54 HN LYS 54 1.550 -6.583 -1.340 337 HA LYS 54 HA LYS 54 0.670 -8.448 0.566 338 HB2 LYS 54 HB2 LYS 54 -0.273 -7.505 -2.083 339 HB3 LYS 54 HB1 LYS 54 -0.902 -9.053 -1.536 340 HG2 LYS 54 HG2 LYS 54 -1.076 -6.452 -0.027 341 HG3 LYS 54 HG1 LYS 54 -2.383 -7.212 -0.938 342 HD2 LYS 54 HD2 LYS 54 -2.090 -9.224 0.564 343 HD3 LYS 54 HD1 LYS 54 -1.034 -8.220 1.559 344 HE2 LYS 54 HE2 LYS 54 -2.937 -7.716 2.646 345 HE3 LYS 54 HE1 LYS 54 -3.183 -6.595 1.307 346 HZ1 LYS 54 HZ1 LYS 54 -4.290 -9.341 1.534 347 HZ2 LYS 54 HZ2 LYS 54 -4.460 -8.346 0.177 348 HZ3 LYS 54 HZ3 LYS 54 -5.156 -7.892 1.649 349 H LYS 55 HN LYS 55 1.961 -10.175 0.906 350 HA LYS 55 HA LYS 55 3.628 -11.617 -0.526 351 HB2 LYS 55 HB2 LYS 55 2.861 -12.198 1.765 352 HB3 LYS 55 HB1 LYS 55 1.432 -12.945 1.066 353 HG2 LYS 55 HG2 LYS 55 2.800 -14.580 -0.074 354 HG3 LYS 55 HG1 LYS 55 4.267 -13.798 0.518 355 HD2 LYS 55 HD2 LYS 55 2.242 -14.648 2.519 356 HD3 LYS 55 HD1 LYS 55 3.204 -15.903 1.736 357 HE2 LYS 55 HE2 LYS 55 4.649 -15.467 3.410 358 HE3 LYS 55 HE1 LYS 55 5.141 -14.140 2.358 359 HZ1 LYS 55 HZ1 LYS 55 4.222 -12.611 3.710 360 HZ2 LYS 55 HZ2 LYS 55 4.424 -13.806 4.889 361 HZ3 LYS 55 HZ3 LYS 55 2.918 -13.595 4.149 362 H ALA 56 HN ALA 56 3.745 -12.687 -2.379 363 HA ALA 56 HA ALA 56 1.911 -12.724 -4.356 364 HB1 ALA 56 HB1 ALA 56 3.995 -13.454 -5.019 365 HB2 ALA 56 HB2 ALA 56 3.050 -14.942 -5.087 366 HB3 ALA 56 HB3 ALA 56 4.113 -14.634 -3.713 367 H GLY 57 HN GLY 57 0.012 -13.637 -4.746 368 HA2 GLY 57 HA2 GLY 57 -1.298 -15.734 -4.773 369 HA3 GLY 57 HA1 GLY 57 -0.737 -16.002 -3.127 370 H THR 58 HN THR 58 -1.127 -12.867 -3.006 371 HA THR 58 HA THR 58 -3.722 -13.017 -1.771 372 HB THR 58 HB THR 58 -1.773 -10.746 -2.220 373 HG1 THR 58 HG1 THR 58 -2.507 -12.256 0.062 374 HG21 THR 58 HG21 THR 58 -4.482 -10.424 -1.704 375 HG22 THR 58 HG22 THR 58 -3.197 -9.231 -1.486 376 HG23 THR 58 HG23 THR 58 -3.690 -10.257 -0.137 377 H VAL 59 HN VAL 59 -5.441 -13.150 -3.136 378 HA VAL 59 HA VAL 59 -5.477 -12.121 -5.747 379 HB VAL 59 HB VAL 59 -7.008 -13.914 -5.037 380 HG11 VAL 59 HG11 VAL 59 -8.945 -12.094 -3.796 381 HG12 VAL 59 HG12 VAL 59 -7.497 -12.409 -2.839 382 HG13 VAL 59 HG13 VAL 59 -8.508 -13.750 -3.375 383 HG21 VAL 59 HG21 VAL 59 -8.973 -11.884 -5.809 384 HG22 VAL 59 HG22 VAL 59 -8.499 -13.373 -6.625 385 HG23 VAL 59 HG23 VAL 59 -7.525 -11.915 -6.814 386 H CYS 60 HN CYS 60 -5.707 -10.161 -6.471 387 HA CYS 60 HA CYS 60 -6.803 -8.081 -4.698 388 HB2 CYS 60 HB2 CYS 60 -4.684 -7.328 -5.154 389 HB3 CYS 60 HB1 CYS 60 -4.616 -8.149 -6.704 390 H ARG 61 HN ARG 61 -7.079 -9.655 -7.779 391 HA ARG 61 HA ARG 61 -9.650 -8.402 -8.230 392 HB2 ARG 61 HB2 ARG 61 -7.894 -8.310 -10.622 393 HB3 ARG 61 HB1 ARG 61 -9.229 -7.263 -10.165 394 HG2 ARG 61 HG2 ARG 61 -7.754 -6.254 -8.439 395 HG3 ARG 61 HG1 ARG 61 -6.428 -7.210 -9.096 396 HD2 ARG 61 HD2 ARG 61 -8.031 -5.497 -10.934 397 HD3 ARG 61 HD1 ARG 61 -6.835 -4.739 -9.884 398 HE ARG 61 HE ARG 61 -5.940 -6.991 -11.498 399 HH11 ARG 61 HH11 ARG 61 -6.096 -3.523 -11.101 400 HH12 ARG 61 HH12 ARG 61 -4.778 -3.220 -12.181 401 HH21 ARG 61 HH21 ARG 61 -4.212 -6.588 -12.917 402 HH22 ARG 61 HH22 ARG 61 -3.710 -4.956 -13.213 403 H ILE 62 HN ILE 62 -10.360 -9.164 -10.592 404 HA ILE 62 HA ILE 62 -9.521 -11.681 -11.515 405 HB ILE 62 HB ILE 62 -10.461 -12.649 -9.542 406 HG12 ILE 62 HG12 ILE 62 -12.247 -14.062 -10.452 407 HG13 ILE 62 HG11 ILE 62 -12.489 -12.925 -11.774 408 HG21 ILE 62 HG21 ILE 62 -11.982 -10.488 -9.320 409 HG22 ILE 62 HG22 ILE 62 -12.369 -12.001 -8.500 410 HG23 ILE 62 HG23 ILE 62 -13.178 -11.584 -10.013 411 HD11 ILE 62 HD11 ILE 62 -10.314 -14.896 -11.338 412 HD12 ILE 62 HD12 ILE 62 -9.956 -13.422 -12.235 413 HD13 ILE 62 HD13 ILE 62 -11.220 -14.513 -12.800 414 H ALA 63 HN ALA 63 -10.278 -11.938 -13.515 415 HA ALA 63 HA ALA 63 -11.644 -9.903 -14.803 416 HB1 ALA 63 HB1 ALA 63 -12.083 -12.151 -16.384 417 HB2 ALA 63 HB2 ALA 63 -10.574 -12.469 -15.528 418 HB3 ALA 63 HB3 ALA 63 -10.748 -11.006 -16.493 419 H ARG 64 HN ARG 64 -13.217 -13.004 -15.274 420 HA ARG 64 HA ARG 64 -15.578 -12.075 -13.827 421 HB2 ARG 64 HB2 ARG 64 -15.457 -11.535 -16.456 422 HB3 ARG 64 HB1 ARG 64 -16.107 -13.168 -16.533 423 HG2 ARG 64 HG2 ARG 64 -17.976 -11.762 -16.528 424 HG3 ARG 64 HG1 ARG 64 -17.867 -12.383 -14.880 425 HD2 ARG 64 HD2 ARG 64 -16.395 -10.181 -14.583 426 HD3 ARG 64 HD1 ARG 64 -17.413 -9.643 -15.919 427 HE ARG 64 HE ARG 64 -18.899 -10.818 -13.765 428 HH11 ARG 64 HH11 ARG 64 -17.425 -7.878 -14.931 429 HH12 ARG 64 HH12 ARG 64 -18.462 -6.844 -14.007 430 HH21 ARG 64 HH21 ARG 64 -20.264 -9.460 -12.550 431 HH22 ARG 64 HH22 ARG 64 -20.074 -7.741 -12.655 432 H GLY 65 HN GLY 65 -15.125 -13.814 -12.385 433 HA2 GLY 65 HA2 GLY 65 -16.407 -15.954 -12.072 434 HA3 GLY 65 HA1 GLY 65 -15.620 -16.480 -13.554 435 H ASP 66 HN ASP 66 -13.683 -17.430 -13.445 436 HA ASP 66 HA ASP 66 -11.704 -16.968 -11.560 437 HB2 ASP 66 HB2 ASP 66 -13.745 -18.242 -10.289 438 HB3 ASP 66 HB1 ASP 66 -12.775 -19.615 -10.811 439 H TRP 67 HN TRP 67 -10.445 -17.161 -13.370 440 HA TRP 67 HA TRP 67 -10.058 -19.901 -14.390 441 HB2 TRP 67 HB2 TRP 67 -8.962 -18.091 -16.256 442 HB3 TRP 67 HB1 TRP 67 -10.396 -19.090 -16.456 443 HD1 TRP 67 HD1 TRP 67 -9.564 -15.585 -14.947 444 HE1 TRP 67 HE1 TRP 67 -11.536 -14.040 -15.472 445 HE3 TRP 67 HE3 TRP 67 -12.616 -18.932 -17.304 446 HZ2 TRP 67 HZ2 TRP 67 -14.044 -14.198 -16.723 447 HZ3 TRP 67 HZ3 TRP 67 -14.795 -18.150 -18.146 448 HH2 TRP 67 HH2 TRP 67 -15.493 -15.826 -17.861 449 H ASN 68 HN ASN 68 -8.343 -16.830 -14.502 450 HA ASN 68 HA ASN 68 -5.879 -18.178 -13.647 451 HB2 ASN 68 HB2 ASN 68 -5.903 -15.404 -14.775 452 HB3 ASN 68 HB1 ASN 68 -4.658 -16.644 -14.892 453 HD21 ASN 68 HD21 ASN 68 -7.912 -15.809 -15.993 454 HD22 ASN 68 HD22 ASN 68 -7.795 -16.612 -17.517 455 H ASP 69 HN ASP 69 -8.078 -15.539 -13.019 456 HA ASP 69 HA ASP 69 -8.416 -14.199 -11.221 457 HB2 ASP 69 HB2 ASP 69 -6.976 -16.526 -10.038 458 HB3 ASP 69 HB1 ASP 69 -7.218 -15.094 -9.043 459 H ASP 70 HN ASP 70 -7.551 -12.396 -10.279 460 HA ASP 70 HA ASP 70 -4.857 -11.734 -11.091 461 HB2 ASP 70 HB2 ASP 70 -6.830 -10.127 -11.245 462 HB3 ASP 70 HB1 ASP 70 -6.750 -10.013 -9.494 463 H TYR 71 HN TYR 71 -3.112 -11.860 -9.829 464 HA TYR 71 HA TYR 71 -3.535 -11.953 -6.931 465 HB2 TYR 71 HB2 TYR 71 -2.213 -14.002 -8.651 466 HB3 TYR 71 HB1 TYR 71 -1.670 -13.770 -6.989 467 HD1 TYR 71 HD2 TYR 71 -3.423 -13.866 -5.165 468 HD2 TYR 71 HD1 TYR 71 -4.093 -15.302 -9.097 469 HE1 TYR 71 HE2 TYR 71 -5.284 -15.219 -4.328 470 HE2 TYR 71 HE1 TYR 71 -5.973 -16.654 -8.297 471 HH TYR 71 HH TYR 71 -6.679 -17.702 -6.075 472 H CYS 72 HN CYS 72 -1.932 -11.269 -5.647 473 HA CYS 72 HA CYS 72 -0.125 -9.354 -6.737 474 HB2 CYS 72 HB2 CYS 72 -0.881 -10.354 -4.038 475 HB3 CYS 72 HB1 CYS 72 0.676 -9.540 -4.193 476 H THR 73 HN THR 73 2.250 -9.413 -6.085 477 HA THR 73 HA THR 73 3.279 -12.161 -6.357 478 HB THR 73 HB THR 73 4.978 -11.408 -7.841 479 HG1 THR 73 HG1 THR 73 5.316 -9.244 -8.283 480 HG21 THR 73 HG21 THR 73 2.359 -11.270 -8.574 481 HG22 THR 73 HG22 THR 73 3.734 -11.130 -9.670 482 HG23 THR 73 HG23 THR 73 2.958 -9.677 -9.039 483 H GLY 74 HN GLY 74 3.067 -9.694 -4.237 484 HA2 GLY 74 HA2 GLY 74 4.236 -9.092 -2.358 485 HA3 GLY 74 HA1 GLY 74 4.964 -10.687 -2.458 486 H LYS 75 HN LYS 75 5.421 -8.609 -5.155 487 HA LYS 75 HA LYS 75 8.118 -7.919 -4.199 488 HB2 LYS 75 HB2 LYS 75 7.355 -8.775 -6.997 489 HB3 LYS 75 HB1 LYS 75 8.958 -8.268 -6.483 490 HG2 LYS 75 HG2 LYS 75 8.544 -10.241 -4.724 491 HG3 LYS 75 HG1 LYS 75 7.546 -10.823 -6.058 492 HD2 LYS 75 HD2 LYS 75 10.352 -9.881 -6.532 493 HD3 LYS 75 HD1 LYS 75 10.033 -11.521 -5.963 494 HE2 LYS 75 HE2 LYS 75 9.050 -12.159 -7.924 495 HE3 LYS 75 HE1 LYS 75 8.483 -10.532 -8.296 496 HZ1 LYS 75 HZ1 LYS 75 10.396 -11.533 -9.668 497 HZ2 LYS 75 HZ2 LYS 75 11.365 -11.143 -8.337 498 HZ3 LYS 75 HZ3 LYS 75 10.523 -9.926 -9.154 499 H SER 76 HN SER 76 5.365 -7.065 -6.206 500 HA SER 76 HA SER 76 6.351 -4.292 -6.262 501 HB2 SER 76 HB2 SER 76 6.512 -5.055 -8.512 502 HB3 SER 76 HB1 SER 76 4.939 -5.849 -8.430 503 HG SER 76 HG SER 76 4.268 -4.040 -9.272 504 H SER 77 HN SER 77 4.508 -2.716 -6.675 505 HA SER 77 HA SER 77 2.420 -3.274 -4.739 506 HB2 SER 77 HB2 SER 77 1.842 -0.865 -5.092 507 HB3 SER 77 HB1 SER 77 3.515 -1.121 -4.598 508 HG SER 77 HG SER 77 2.551 0.006 -6.854 509 H ASP 78 HN ASP 78 2.659 -4.165 -7.792 510 HA ASP 78 HA ASP 78 -0.082 -3.385 -8.526 511 HB2 ASP 78 HB2 ASP 78 2.354 -4.049 -10.128 512 HB3 ASP 78 HB1 ASP 78 0.771 -4.390 -10.821 513 H CYS 79 HN CYS 79 -1.574 -4.909 -9.149 514 HA CYS 79 HA CYS 79 -0.909 -7.692 -8.443 515 HB2 CYS 79 HB2 CYS 79 -3.173 -7.950 -7.680 516 HB3 CYS 79 HB1 CYS 79 -2.502 -6.502 -6.933 517 HA PRO 80 HA PRO 80 -1.779 -8.036 -12.929 518 HB2 PRO 80 HB2 PRO 80 -0.583 -10.464 -13.206 519 HB3 PRO 80 HB1 PRO 80 0.310 -8.939 -13.219 520 HG2 PRO 80 HG2 PRO 80 -0.088 -10.880 -10.972 521 HG3 PRO 80 HG1 PRO 80 1.392 -10.044 -11.478 522 HD2 PRO 80 HD2 PRO 80 -0.075 -9.199 -9.384 523 HD3 PRO 80 HD1 PRO 80 0.776 -8.065 -10.452 524 H TRP 81 HN TRP 81 -3.405 -9.077 -13.995 525 HA TRP 81 HA TRP 81 -5.332 -10.530 -12.485 526 HB2 TRP 81 HB2 TRP 81 -5.599 -10.804 -15.382 527 HB3 TRP 81 HB1 TRP 81 -6.743 -10.184 -14.198 528 HD1 TRP 81 HD1 TRP 81 -3.872 -9.006 -16.481 529 HE1 TRP 81 HE1 TRP 81 -4.115 -6.461 -16.801 530 HE3 TRP 81 HE3 TRP 81 -7.636 -8.159 -13.174 531 HZ2 TRP 81 HZ2 TRP 81 -5.715 -4.372 -15.775 532 HZ3 TRP 81 HZ3 TRP 81 -8.490 -5.861 -12.894 533 HH2 TRP 81 HH2 TRP 81 -7.541 -4.003 -14.169 534 H ASN 82 HN ASN 82 -2.616 -11.435 -14.311 535 HA ASN 82 HA ASN 82 -1.600 -13.480 -14.563 536 HB2 ASN 82 HB2 ASN 82 -2.947 -14.086 -12.427 537 HB3 ASN 82 HB1 ASN 82 -4.066 -14.872 -13.537 538 HD21 ASN 82 HD21 ASN 82 -1.567 -15.430 -11.553 539 HD22 ASN 82 HD22 ASN 82 -0.879 -16.825 -12.304 540 H HIS 83 HN HIS 83 -3.438 -12.079 -16.390 541 HA HIS 83 HA HIS 83 -4.533 -14.282 -17.977 542 HB2 HIS 83 HB2 HIS 83 -4.909 -11.289 -18.260 543 HB3 HIS 83 HB1 HIS 83 -5.727 -12.522 -19.218 544 HD1 HIS 83 HD1 HIS 83 -7.195 -10.433 -17.362 545 HD2 HIS 83 HD2 HIS 83 -6.317 -14.369 -16.373 546 HE1 HIS 83 HE1 HIS 83 -8.822 -11.051 -15.546 547 HE2 HIS 83 HE2 HIS 83 -8.339 -13.469 -15.037 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 -8.199 23.004 16.087 2 H2 SER 1 HT2 SER 1 -6.962 23.111 17.272 3 H3 SER 1 HT3 SER 1 -7.738 21.610 16.970 4 HA SER 1 HA SER 1 -6.899 21.786 14.656 5 HB2 SER 1 HB2 SER 1 -6.408 24.225 14.849 6 HB3 SER 1 HB1 SER 1 -5.106 23.842 15.976 7 HG SER 1 HG SER 1 -5.271 23.404 13.218 8 HA PRO 2 HA PRO 2 -4.547 18.902 17.375 9 HB2 PRO 2 HB2 PRO 2 -5.053 16.696 15.879 10 HB3 PRO 2 HB1 PRO 2 -6.175 17.302 17.102 11 HG2 PRO 2 HG2 PRO 2 -6.226 17.679 14.132 12 HG3 PRO 2 HG1 PRO 2 -7.564 17.307 15.236 13 HD2 PRO 2 HD2 PRO 2 -7.100 19.805 14.298 14 HD3 PRO 2 HD1 PRO 2 -7.786 19.502 15.907 15 HA PRO 3 HA PRO 3 -0.843 18.868 14.948 16 HB2 PRO 3 HB2 PRO 3 0.451 16.732 16.005 17 HB3 PRO 3 HB1 PRO 3 0.282 18.268 16.862 18 HG2 PRO 3 HG2 PRO 3 -1.307 15.748 17.159 19 HG3 PRO 3 HG1 PRO 3 -0.677 16.829 18.416 20 HD2 PRO 3 HD2 PRO 3 -3.259 16.889 17.609 21 HD3 PRO 3 HD1 PRO 3 -2.398 18.342 18.154 22 H VAL 4 HN VAL 4 -0.468 18.263 12.995 23 HA VAL 4 HA VAL 4 -0.689 15.534 12.163 24 HB VAL 4 HB VAL 4 -1.970 17.342 10.250 25 HG11 VAL 4 HG11 VAL 4 -2.065 15.126 9.660 26 HG12 VAL 4 HG12 VAL 4 -3.641 15.340 10.418 27 HG13 VAL 4 HG13 VAL 4 -2.324 14.582 11.314 28 HG21 VAL 4 HG21 VAL 4 -3.446 16.652 12.786 29 HG22 VAL 4 HG22 VAL 4 -4.112 17.469 11.372 30 HG23 VAL 4 HG23 VAL 4 -2.876 18.262 12.348 31 H CYS 5 HN CYS 5 1.516 15.589 11.810 32 HA CYS 5 HA CYS 5 2.828 17.698 10.435 33 HB2 CYS 5 HB2 CYS 5 4.283 15.238 10.066 34 HB3 CYS 5 HB1 CYS 5 4.701 16.626 11.052 35 H GLY 6 HN GLY 6 1.949 18.205 8.525 36 HA2 GLY 6 HA2 GLY 6 2.084 17.985 6.165 37 HA3 GLY 6 HA1 GLY 6 2.240 16.244 6.364 38 H ASN 7 HN ASN 7 -0.148 17.733 8.297 39 HA ASN 7 HA ASN 7 -2.410 17.662 8.337 40 HB2 ASN 7 HB2 ASN 7 -1.810 18.096 5.452 41 HB3 ASN 7 HB1 ASN 7 -3.445 17.571 5.852 42 HD21 ASN 7 HD21 ASN 7 -4.452 18.828 7.695 43 HD22 ASN 7 HD22 ASN 7 -4.229 20.541 7.669 44 H LYS 8 HN LYS 8 -3.909 16.083 8.611 45 HA LYS 8 HA LYS 8 -3.282 13.433 8.544 46 HB2 LYS 8 HB2 LYS 8 -5.213 14.111 9.752 47 HB3 LYS 8 HB1 LYS 8 -5.965 14.792 8.318 48 HG2 LYS 8 HG2 LYS 8 -7.006 12.686 9.034 49 HG3 LYS 8 HG1 LYS 8 -6.328 12.588 7.408 50 HD2 LYS 8 HD2 LYS 8 -4.228 11.656 8.613 51 HD3 LYS 8 HD1 LYS 8 -5.340 11.353 9.950 52 HE2 LYS 8 HE2 LYS 8 -6.190 10.464 7.256 53 HE3 LYS 8 HE1 LYS 8 -4.874 9.571 8.015 54 HZ1 LYS 8 HZ1 LYS 8 -6.494 9.579 10.038 55 HZ2 LYS 8 HZ2 LYS 8 -6.687 8.446 8.796 56 HZ3 LYS 8 HZ3 LYS 8 -7.676 9.817 8.851 57 H ILE 9 HN ILE 9 -2.438 12.413 6.800 58 HA ILE 9 HA ILE 9 -2.932 13.015 4.146 59 HB ILE 9 HB ILE 9 -2.361 10.625 3.569 60 HG12 ILE 9 HG12 ILE 9 -1.184 9.473 5.569 61 HG13 ILE 9 HG11 ILE 9 -2.270 10.446 6.562 62 HG21 ILE 9 HG21 ILE 9 -0.006 10.909 4.283 63 HG22 ILE 9 HG22 ILE 9 -0.529 12.239 5.310 64 HG23 ILE 9 HG23 ILE 9 -0.711 12.355 3.561 65 HD11 ILE 9 HD11 ILE 9 -2.780 7.971 5.385 66 HD12 ILE 9 HD12 ILE 9 -3.729 9.140 4.466 67 HD13 ILE 9 HD13 ILE 9 -3.928 9.021 6.215 68 H LEU 10 HN LEU 10 -4.602 12.971 2.909 69 HA LEU 10 HA LEU 10 -6.982 11.576 3.770 70 HB2 LEU 10 HB2 LEU 10 -8.047 12.859 1.879 71 HB3 LEU 10 HB1 LEU 10 -7.373 13.818 3.183 72 HG LEU 10 HG LEU 10 -7.009 14.526 0.697 73 HD11 LEU 10 HD11 LEU 10 -4.421 14.729 1.997 74 HD12 LEU 10 HD12 LEU 10 -5.763 15.107 3.077 75 HD13 LEU 10 HD13 LEU 10 -5.577 15.988 1.561 76 HD21 LEU 10 HD21 LEU 10 -6.083 12.360 -0.028 77 HD22 LEU 10 HD22 LEU 10 -4.709 12.608 1.048 78 HD23 LEU 10 HD23 LEU 10 -4.975 13.703 -0.307 79 H GLU 11 HN GLU 11 -4.487 10.465 2.253 80 HA GLU 11 HA GLU 11 -5.686 8.254 1.099 81 HB2 GLU 11 HB2 GLU 11 -5.625 8.652 -1.269 82 HB3 GLU 11 HB1 GLU 11 -6.589 9.919 -0.529 83 HG2 GLU 11 HG2 GLU 11 -4.279 11.190 -0.515 84 HG3 GLU 11 HG1 GLU 11 -3.929 10.071 -1.832 85 H GLN 12 HN GLN 12 -3.232 9.127 2.531 86 HA GLN 12 HA GLN 12 -1.210 8.186 0.621 87 HB2 GLN 12 HB2 GLN 12 -0.696 9.587 3.230 88 HB3 GLN 12 HB1 GLN 12 0.466 9.250 1.966 89 HG2 GLN 12 HG2 GLN 12 -1.801 11.220 1.904 90 HG3 GLN 12 HG1 GLN 12 -0.071 11.553 1.851 91 HE21 GLN 12 HE21 GLN 12 0.456 12.289 -0.067 92 HE22 GLN 12 HE22 GLN 12 -0.109 11.689 -1.585 93 H GLY 13 HN GLY 13 -1.129 8.126 4.160 94 HA2 GLY 13 HA2 GLY 13 -0.862 6.379 5.640 95 HA3 GLY 13 HA1 GLY 13 -1.467 5.305 4.385 96 H GLU 14 HN GLU 14 1.188 7.348 3.650 97 HA GLU 14 HA GLU 14 3.520 6.438 4.369 98 HB2 GLU 14 HB2 GLU 14 2.216 4.213 2.884 99 HB3 GLU 14 HB1 GLU 14 3.912 4.523 2.544 100 HG2 GLU 14 HG2 GLU 14 4.597 3.912 4.633 101 HG3 GLU 14 HG1 GLU 14 3.044 4.292 5.375 102 H ASP 15 HN ASP 15 1.456 7.179 1.764 103 HA ASP 15 HA ASP 15 3.149 7.503 -0.386 104 HB2 ASP 15 HB2 ASP 15 0.566 7.953 -0.044 105 HB3 ASP 15 HB1 ASP 15 1.114 9.609 0.185 106 H CYS 16 HN CYS 16 2.189 10.106 1.858 107 HA CYS 16 HA CYS 16 4.716 11.064 2.428 108 HB2 CYS 16 HB2 CYS 16 5.275 11.697 0.292 109 HB3 CYS 16 HB1 CYS 16 3.607 12.018 -0.165 110 H ASP 17 HN ASP 17 4.553 12.449 4.031 111 HA ASP 17 HA ASP 17 3.770 13.963 5.518 112 HB2 ASP 17 HB2 ASP 17 2.386 14.718 3.030 113 HB3 ASP 17 HB1 ASP 17 1.572 15.233 4.503 114 H CYS 18 HN CYS 18 3.076 11.463 5.998 115 HA CYS 18 HA CYS 18 0.593 10.475 6.129 116 HB2 CYS 18 HB2 CYS 18 2.295 10.557 8.627 117 HB3 CYS 18 HB1 CYS 18 1.155 9.312 8.135 118 H GLY 19 HN GLY 19 1.638 13.346 7.809 119 HA2 GLY 19 HA2 GLY 19 0.417 14.943 8.919 120 HA3 GLY 19 HA1 GLY 19 -1.020 14.155 8.299 121 H SER 20 HN SER 20 -1.820 12.271 9.453 122 HA SER 20 HA SER 20 -2.214 12.780 12.119 123 HB2 SER 20 HB2 SER 20 -3.380 10.796 12.243 124 HB3 SER 20 HB1 SER 20 -3.438 11.169 10.523 125 HG SER 20 HG SER 20 -2.289 9.449 10.119 126 HA PRO 21 HA PRO 21 1.884 12.098 13.744 127 HB2 PRO 21 HB2 PRO 21 0.177 12.200 16.194 128 HB3 PRO 21 HB1 PRO 21 1.719 13.001 15.864 129 HG2 PRO 21 HG2 PRO 21 -0.557 14.365 15.710 130 HG3 PRO 21 HG1 PRO 21 0.737 14.631 14.526 131 HD2 PRO 21 HD2 PRO 21 -1.842 13.168 14.213 132 HD3 PRO 21 HD1 PRO 21 -0.932 14.107 13.018 133 H ALA 22 HN ALA 22 -0.983 10.198 14.375 134 HA ALA 22 HA ALA 22 0.066 8.181 15.974 135 HB1 ALA 22 HB1 ALA 22 -2.157 7.825 15.729 136 HB2 ALA 22 HB2 ALA 22 -1.619 6.763 14.428 137 HB3 ALA 22 HB3 ALA 22 -2.174 8.396 14.060 138 H ASN 23 HN ASN 23 0.698 8.988 12.690 139 HA ASN 23 HA ASN 23 2.434 6.634 12.432 140 HB2 ASN 23 HB2 ASN 23 0.800 7.898 10.220 141 HB3 ASN 23 HB1 ASN 23 1.889 6.522 10.049 142 HD21 ASN 23 HD21 ASN 23 -0.582 6.159 9.191 143 HD22 ASN 23 HD22 ASN 23 -1.495 5.167 10.272 144 H CYS 24 HN CYS 24 2.796 9.571 13.184 145 HA CYS 24 HA CYS 24 4.480 10.534 11.015 146 HB2 CYS 24 HB2 CYS 24 2.906 12.044 12.267 147 HB3 CYS 24 HB1 CYS 24 3.930 11.846 13.683 148 H GLN 25 HN GLN 25 6.605 10.274 10.944 149 HA GLN 25 HA GLN 25 8.747 9.785 11.536 150 HB2 GLN 25 HB2 GLN 25 8.074 10.206 14.430 151 HB3 GLN 25 HB1 GLN 25 9.576 10.549 13.584 152 HG2 GLN 25 HG2 GLN 25 7.650 12.152 12.351 153 HG3 GLN 25 HG1 GLN 25 7.320 12.258 14.080 154 HE21 GLN 25 HE21 GLN 25 10.355 11.896 12.293 155 HE22 GLN 25 HE22 GLN 25 11.100 13.322 12.923 156 H ASP 26 HN ASP 26 6.436 7.828 11.726 157 HA ASP 26 HA ASP 26 7.875 5.525 12.312 158 HB2 ASP 26 HB2 ASP 26 7.304 6.740 14.676 159 HB3 ASP 26 HB1 ASP 26 5.883 5.717 14.487 160 H ARG 27 HN ARG 27 6.002 3.728 13.086 161 HA ARG 27 HA ARG 27 4.203 2.529 12.387 162 HB2 ARG 27 HB2 ARG 27 3.112 4.848 12.986 163 HB3 ARG 27 HB1 ARG 27 2.898 4.964 11.245 164 HG2 ARG 27 HG2 ARG 27 1.017 3.821 11.494 165 HG3 ARG 27 HG1 ARG 27 2.007 2.412 11.879 166 HD2 ARG 27 HD2 ARG 27 1.679 4.183 14.157 167 HD3 ARG 27 HD1 ARG 27 0.134 3.617 13.526 168 HE ARG 27 HE ARG 27 0.640 1.501 14.255 169 HH11 ARG 27 HH11 ARG 27 3.518 3.472 14.379 170 HH12 ARG 27 HH12 ARG 27 4.440 2.292 15.247 171 HH21 ARG 27 HH21 ARG 27 1.851 -0.052 15.397 172 HH22 ARG 27 HH22 ARG 27 3.494 0.291 15.825 173 H CYS 28 HN CYS 28 6.433 2.836 10.673 174 HA CYS 28 HA CYS 28 7.090 2.251 8.583 175 HB2 CYS 28 HB2 CYS 28 4.220 1.435 8.563 176 HB3 CYS 28 HB1 CYS 28 5.108 1.431 7.045 177 H CYS 29 HN CYS 29 6.050 5.046 9.202 178 HA CYS 29 HA CYS 29 6.424 6.093 6.589 179 HB2 CYS 29 HB2 CYS 29 4.347 6.691 5.889 180 HB3 CYS 29 HB1 CYS 29 3.900 5.260 6.804 181 H ASN 30 HN ASN 30 6.673 8.278 6.482 182 HA ASN 30 HA ASN 30 6.946 9.600 9.096 183 HB2 ASN 30 HB2 ASN 30 8.844 9.119 7.124 184 HB3 ASN 30 HB1 ASN 30 8.422 10.818 6.938 185 HD21 ASN 30 HD21 ASN 30 10.527 8.852 8.321 186 HD22 ASN 30 HD22 ASN 30 10.963 9.773 9.719 187 H ALA 31 HN ALA 31 5.474 11.023 9.455 188 HA ALA 31 HA ALA 31 4.065 12.382 7.330 189 HB1 ALA 31 HB1 ALA 31 3.383 13.598 9.734 190 HB2 ALA 31 HB2 ALA 31 3.689 11.922 10.167 191 HB3 ALA 31 HB3 ALA 31 2.504 12.303 8.933 192 H ALA 32 HN ALA 32 6.975 12.706 8.885 193 HA ALA 32 HA ALA 32 7.001 15.634 8.720 194 HB1 ALA 32 HB1 ALA 32 8.919 13.722 10.037 195 HB2 ALA 32 HB2 ALA 32 7.692 14.712 10.834 196 HB3 ALA 32 HB3 ALA 32 9.067 15.482 10.040 197 H THR 33 HN THR 33 8.678 12.765 7.446 198 HA THR 33 HA THR 33 10.395 14.484 5.827 199 HB THR 33 HB THR 33 11.245 12.195 4.982 200 HG1 THR 33 HG1 THR 33 10.328 10.532 5.782 201 HG21 THR 33 HG21 THR 33 12.809 11.998 6.701 202 HG22 THR 33 HG22 THR 33 11.685 12.622 7.910 203 HG23 THR 33 HG23 THR 33 12.368 13.706 6.697 204 H CYS 34 HN CYS 34 7.345 13.296 5.575 205 HA CYS 34 HA CYS 34 5.862 13.206 3.888 206 HB2 CYS 34 HB2 CYS 34 6.483 15.205 2.947 207 HB3 CYS 34 HB1 CYS 34 8.123 14.676 2.623 208 H LYS 35 HN LYS 35 7.406 10.811 4.504 209 HA LYS 35 HA LYS 35 6.681 9.336 2.182 210 HB2 LYS 35 HB2 LYS 35 9.436 10.270 2.375 211 HB3 LYS 35 HB1 LYS 35 9.304 8.528 2.179 212 HG2 LYS 35 HG2 LYS 35 7.567 10.029 0.382 213 HG3 LYS 35 HG1 LYS 35 9.285 10.366 0.155 214 HD2 LYS 35 HD2 LYS 35 8.421 7.533 0.435 215 HD3 LYS 35 HD1 LYS 35 8.088 8.363 -1.087 216 HE2 LYS 35 HE2 LYS 35 10.161 7.718 -1.653 217 HE3 LYS 35 HE1 LYS 35 10.680 9.064 -0.639 218 HZ1 LYS 35 HZ1 LYS 35 11.724 6.799 -0.220 219 HZ2 LYS 35 HZ2 LYS 35 10.249 6.365 0.486 220 HZ3 LYS 35 HZ3 LYS 35 11.150 7.644 1.129 221 H LEU 36 HN LEU 36 6.963 7.088 2.356 222 HA LEU 36 HA LEU 36 6.443 6.009 4.855 223 HB2 LEU 36 HB2 LEU 36 7.042 3.809 3.813 224 HB3 LEU 36 HB1 LEU 36 5.863 4.756 2.923 225 HG LEU 36 HG LEU 36 8.649 5.182 2.080 226 HD11 LEU 36 HD11 LEU 36 9.009 2.905 2.385 227 HD12 LEU 36 HD12 LEU 36 8.491 3.016 0.702 228 HD13 LEU 36 HD13 LEU 36 7.354 2.485 1.941 229 HD21 LEU 36 HD21 LEU 36 6.583 4.288 0.193 230 HD22 LEU 36 HD22 LEU 36 7.673 5.673 0.117 231 HD23 LEU 36 HD23 LEU 36 6.199 5.763 1.081 232 H THR 37 HN THR 37 7.785 4.493 6.144 233 HA THR 37 HA THR 37 10.511 5.542 6.347 234 HB THR 37 HB THR 37 10.458 4.295 8.577 235 HG1 THR 37 HG1 THR 37 8.358 3.842 9.333 236 HG21 THR 37 HG21 THR 37 8.808 6.668 7.909 237 HG22 THR 37 HG22 THR 37 10.251 6.536 8.914 238 HG23 THR 37 HG23 THR 37 8.696 5.972 9.526 239 HA PRO 38 HA PRO 38 12.941 2.136 5.029 240 HB2 PRO 38 HB2 PRO 38 13.648 1.788 7.923 241 HB3 PRO 38 HB1 PRO 38 14.704 1.776 6.504 242 HG2 PRO 38 HG2 PRO 38 14.547 3.938 8.037 243 HG3 PRO 38 HG1 PRO 38 14.637 4.087 6.272 244 HD2 PRO 38 HD2 PRO 38 12.329 4.506 8.090 245 HD3 PRO 38 HD1 PRO 38 12.680 5.250 6.518 246 H GLY 39 HN GLY 39 12.677 -0.028 4.717 247 HA2 GLY 39 HA2 GLY 39 12.080 -2.233 5.316 248 HA3 GLY 39 HA1 GLY 39 11.214 -1.596 6.707 249 H SER 40 HN SER 40 9.975 0.461 4.832 250 HA SER 40 HA SER 40 7.676 -1.146 4.155 251 HB2 SER 40 HB2 SER 40 7.325 1.047 5.163 252 HB3 SER 40 HB1 SER 40 8.199 1.820 3.841 253 HG SER 40 HG SER 40 5.790 0.337 3.588 254 H GLN 41 HN GLN 41 7.658 -2.265 2.325 255 HA GLN 41 HA GLN 41 9.301 -1.616 0.084 256 HB2 GLN 41 HB2 GLN 41 7.342 -3.734 0.773 257 HB3 GLN 41 HB1 GLN 41 7.594 -3.431 -0.940 258 HG2 GLN 41 HG2 GLN 41 10.032 -3.690 0.689 259 HG3 GLN 41 HG1 GLN 41 9.057 -5.148 0.516 260 HE21 GLN 41 HE21 GLN 41 9.519 -2.526 -1.795 261 HE22 GLN 41 HE22 GLN 41 10.264 -3.492 -3.018 262 H CYS 42 HN CYS 42 5.879 -1.249 0.845 263 HA CYS 42 HA CYS 42 5.644 0.650 -1.367 264 HB2 CYS 42 HB2 CYS 42 4.831 -1.484 -2.253 265 HB3 CYS 42 HB1 CYS 42 3.715 -1.631 -0.899 266 H ASN 43 HN ASN 43 4.299 2.341 -0.984 267 HA ASN 43 HA ASN 43 3.556 2.832 1.725 268 HB2 ASN 43 HB2 ASN 43 2.568 4.948 0.761 269 HB3 ASN 43 HB1 ASN 43 4.278 4.704 0.417 270 HD21 ASN 43 HD21 ASN 43 4.876 5.028 -1.592 271 HD22 ASN 43 HD22 ASN 43 3.860 4.940 -2.987 272 H TYR 44 HN TYR 44 1.851 2.004 -1.224 273 HA TYR 44 HA TYR 44 -0.270 0.719 0.062 274 HB2 TYR 44 HB2 TYR 44 -2.102 2.244 -0.163 275 HB3 TYR 44 HB1 TYR 44 -0.830 3.094 0.705 276 HD1 TYR 44 HD1 TYR 44 -2.163 2.617 -2.749 277 HD2 TYR 44 HD2 TYR 44 -0.189 5.206 -0.008 278 HE1 TYR 44 HE1 TYR 44 -2.249 4.422 -4.407 279 HE2 TYR 44 HE2 TYR 44 -0.268 7.024 -1.655 280 HH TYR 44 HH TYR 44 -0.612 6.729 -4.708 281 H GLY 45 HN GLY 45 -2.073 0.199 -1.506 282 HA2 GLY 45 HA2 GLY 45 -2.502 0.566 -4.033 283 HA3 GLY 45 HA1 GLY 45 -0.882 -0.097 -4.176 284 H GLU 46 HN GLU 46 -2.278 -1.575 -5.565 285 HA GLU 46 HA GLU 46 -4.077 -3.410 -4.496 286 HB2 GLU 46 HB2 GLU 46 -2.229 -3.441 -6.852 287 HB3 GLU 46 HB1 GLU 46 -3.127 -4.892 -6.430 288 HG2 GLU 46 HG2 GLU 46 -4.961 -4.114 -7.386 289 HG3 GLU 46 HG1 GLU 46 -4.886 -2.632 -6.435 290 H CYS 47 HN CYS 47 -0.556 -3.654 -4.844 291 HA CYS 47 HA CYS 47 -0.594 -6.107 -3.218 292 HB2 CYS 47 HB2 CYS 47 1.248 -4.993 -5.281 293 HB3 CYS 47 HB1 CYS 47 1.937 -6.011 -4.024 294 H CYS 48 HN CYS 48 -0.976 -3.564 -1.934 295 HA CYS 48 HA CYS 48 1.494 -3.513 -0.338 296 HB2 CYS 48 HB2 CYS 48 -0.070 -1.006 -0.854 297 HB3 CYS 48 HB1 CYS 48 1.590 -1.175 -0.291 298 H ASP 49 HN ASP 49 1.184 -3.841 1.727 299 HA ASP 49 HA ASP 49 -1.287 -2.962 3.015 300 HB2 ASP 49 HB2 ASP 49 -1.226 -5.507 2.249 301 HB3 ASP 49 HB1 ASP 49 -0.286 -5.683 3.727 302 H GLN 50 HN GLN 50 -0.743 -1.812 4.743 303 HA GLN 50 HA GLN 50 0.337 -1.073 6.606 304 HB2 GLN 50 HB2 GLN 50 0.229 -3.513 7.240 305 HB3 GLN 50 HB1 GLN 50 1.850 -3.689 6.582 306 HG2 GLN 50 HG2 GLN 50 2.778 -2.891 8.428 307 HG3 GLN 50 HG1 GLN 50 1.712 -1.487 8.440 308 HE21 GLN 50 HE21 GLN 50 2.623 -2.962 10.705 309 HE22 GLN 50 HE22 GLN 50 1.230 -3.626 11.482 310 H CYS 51 HN CYS 51 2.839 -3.044 5.003 311 HA CYS 51 HA CYS 51 4.190 -0.941 3.772 312 HB2 CYS 51 HB2 CYS 51 6.248 -1.170 5.477 313 HB3 CYS 51 HB1 CYS 51 5.025 0.083 5.623 314 H ARG 52 HN ARG 52 3.465 -3.596 3.203 315 HA ARG 52 HA ARG 52 6.016 -4.595 2.285 316 HB2 ARG 52 HB2 ARG 52 5.347 -5.559 4.677 317 HB3 ARG 52 HB1 ARG 52 4.373 -6.642 3.693 318 HG2 ARG 52 HG2 ARG 52 6.210 -7.904 3.615 319 HG3 ARG 52 HG1 ARG 52 6.775 -6.744 2.411 320 HD2 ARG 52 HD2 ARG 52 7.235 -5.951 5.201 321 HD3 ARG 52 HD1 ARG 52 8.110 -7.394 4.690 322 HE ARG 52 HE ARG 52 8.323 -5.199 2.846 323 HH11 ARG 52 HH11 ARG 52 9.655 -6.658 5.723 324 HH12 ARG 52 HH12 ARG 52 11.214 -5.931 5.522 325 HH21 ARG 52 HH21 ARG 52 10.372 -4.242 2.580 326 HH22 ARG 52 HH22 ARG 52 11.621 -4.558 3.738 327 H PHE 53 HN PHE 53 5.825 -6.037 0.526 328 HA PHE 53 HA PHE 53 3.493 -5.700 -1.034 329 HB2 PHE 53 HB2 PHE 53 5.901 -7.487 -1.355 330 HB3 PHE 53 HB1 PHE 53 4.570 -7.490 -2.512 331 HD1 PHE 53 HD1 PHE 53 3.885 -4.650 -2.609 332 HD2 PHE 53 HD2 PHE 53 7.683 -6.555 -2.527 333 HE1 PHE 53 HE1 PHE 53 4.855 -2.731 -3.768 334 HE2 PHE 53 HE2 PHE 53 8.675 -4.626 -3.693 335 HZ PHE 53 HZ PHE 53 7.261 -2.707 -4.318 336 H LYS 54 HN LYS 54 1.759 -6.960 -1.389 337 HA LYS 54 HA LYS 54 0.991 -8.827 0.567 338 HB2 LYS 54 HB2 LYS 54 -0.130 -7.720 -1.885 339 HB3 LYS 54 HB1 LYS 54 -0.579 -9.403 -1.650 340 HG2 LYS 54 HG2 LYS 54 -1.802 -8.964 0.225 341 HG3 LYS 54 HG1 LYS 54 -0.844 -7.544 0.651 342 HD2 LYS 54 HD2 LYS 54 -2.070 -6.155 -0.666 343 HD3 LYS 54 HD1 LYS 54 -2.396 -7.407 -1.867 344 HE2 LYS 54 HE2 LYS 54 -3.781 -8.415 0.182 345 HE3 LYS 54 HE1 LYS 54 -3.870 -6.706 0.605 346 HZ1 LYS 54 HZ1 LYS 54 -4.970 -8.098 -1.737 347 HZ2 LYS 54 HZ2 LYS 54 -4.559 -6.463 -1.872 348 HZ3 LYS 54 HZ3 LYS 54 -5.701 -6.955 -0.726 349 H LYS 55 HN LYS 55 2.225 -10.596 0.863 350 HA LYS 55 HA LYS 55 3.856 -12.033 -0.625 351 HB2 LYS 55 HB2 LYS 55 3.184 -12.677 1.650 352 HB3 LYS 55 HB1 LYS 55 1.665 -13.303 1.024 353 HG2 LYS 55 HG2 LYS 55 2.781 -15.041 -0.161 354 HG3 LYS 55 HG1 LYS 55 4.361 -14.337 0.185 355 HD2 LYS 55 HD2 LYS 55 3.836 -14.677 2.634 356 HD3 LYS 55 HD1 LYS 55 2.447 -15.634 2.114 357 HE2 LYS 55 HE2 LYS 55 5.048 -16.322 0.894 358 HE3 LYS 55 HE1 LYS 55 4.871 -16.682 2.611 359 HZ1 LYS 55 HZ1 LYS 55 4.113 -18.592 1.588 360 HZ2 LYS 55 HZ2 LYS 55 3.347 -17.760 0.330 361 HZ3 LYS 55 HZ3 LYS 55 2.669 -17.758 1.880 362 H ALA 56 HN ALA 56 3.922 -13.057 -2.512 363 HA ALA 56 HA ALA 56 2.049 -13.027 -4.449 364 HB1 ALA 56 HB1 ALA 56 4.248 -14.960 -3.894 365 HB2 ALA 56 HB2 ALA 56 4.083 -13.785 -5.199 366 HB3 ALA 56 HB3 ALA 56 3.133 -15.272 -5.225 367 H GLY 57 HN GLY 57 0.136 -13.912 -4.830 368 HA2 GLY 57 HA2 GLY 57 -1.212 -15.983 -4.858 369 HA3 GLY 57 HA1 GLY 57 -0.620 -16.289 -3.230 370 H THR 58 HN THR 58 -0.950 -13.134 -3.094 371 HA THR 58 HA THR 58 -3.523 -13.257 -1.796 372 HB THR 58 HB THR 58 -1.622 -10.946 -2.274 373 HG1 THR 58 HG1 THR 58 -0.940 -12.715 -0.861 374 HG21 THR 58 HG21 THR 58 -3.005 -9.544 -1.275 375 HG22 THR 58 HG22 THR 58 -3.388 -10.704 -0.001 376 HG23 THR 58 HG23 THR 58 -4.267 -10.751 -1.531 377 H VAL 59 HN VAL 59 -5.264 -13.325 -3.137 378 HA VAL 59 HA VAL 59 -5.326 -12.208 -5.720 379 HB VAL 59 HB VAL 59 -6.880 -13.990 -5.064 380 HG11 VAL 59 HG11 VAL 59 -8.324 -13.889 -3.344 381 HG12 VAL 59 HG12 VAL 59 -8.724 -12.198 -3.645 382 HG13 VAL 59 HG13 VAL 59 -7.252 -12.614 -2.766 383 HG21 VAL 59 HG21 VAL 59 -9.040 -12.378 -5.696 384 HG22 VAL 59 HG22 VAL 59 -7.977 -13.202 -6.836 385 HG23 VAL 59 HG23 VAL 59 -7.656 -11.529 -6.384 386 H CYS 60 HN CYS 60 -5.318 -10.126 -6.243 387 HA CYS 60 HA CYS 60 -6.456 -8.195 -4.340 388 HB2 CYS 60 HB2 CYS 60 -4.777 -7.423 -6.703 389 HB3 CYS 60 HB1 CYS 60 -5.025 -6.553 -5.194 390 H ARG 61 HN ARG 61 -6.777 -9.500 -7.519 391 HA ARG 61 HA ARG 61 -9.263 -8.060 -7.900 392 HB2 ARG 61 HB2 ARG 61 -7.283 -7.944 -10.154 393 HB3 ARG 61 HB1 ARG 61 -8.728 -6.976 -9.904 394 HG2 ARG 61 HG2 ARG 61 -7.619 -5.836 -8.034 395 HG3 ARG 61 HG1 ARG 61 -6.161 -6.779 -8.345 396 HD2 ARG 61 HD2 ARG 61 -7.477 -4.877 -10.283 397 HD3 ARG 61 HD1 ARG 61 -6.031 -4.538 -9.333 398 HE ARG 61 HE ARG 61 -5.882 -6.862 -11.055 399 HH11 ARG 61 HH11 ARG 61 -5.248 -3.445 -10.708 400 HH12 ARG 61 HH12 ARG 61 -4.049 -3.417 -11.956 401 HH21 ARG 61 HH21 ARG 61 -4.308 -6.821 -12.697 402 HH22 ARG 61 HH22 ARG 61 -3.516 -5.331 -13.086 403 H ILE 62 HN ILE 62 -10.011 -8.686 -10.316 404 HA ILE 62 HA ILE 62 -9.280 -11.122 -11.416 405 HB ILE 62 HB ILE 62 -10.077 -12.049 -9.267 406 HG12 ILE 62 HG12 ILE 62 -10.122 -13.319 -11.423 407 HG13 ILE 62 HG11 ILE 62 -11.263 -13.893 -10.215 408 HG21 ILE 62 HG21 ILE 62 -12.215 -10.285 -9.624 409 HG22 ILE 62 HG22 ILE 62 -11.979 -11.448 -8.318 410 HG23 ILE 62 HG23 ILE 62 -12.894 -11.908 -9.755 411 HD11 ILE 62 HD11 ILE 62 -12.778 -13.821 -11.827 412 HD12 ILE 62 HD12 ILE 62 -11.722 -12.880 -12.880 413 HD13 ILE 62 HD13 ILE 62 -12.720 -12.066 -11.675 414 H ALA 63 HN ALA 63 -10.247 -11.395 -13.306 415 HA ALA 63 HA ALA 63 -11.668 -9.326 -14.469 416 HB1 ALA 63 HB1 ALA 63 -10.846 -10.472 -16.182 417 HB2 ALA 63 HB2 ALA 63 -12.298 -11.462 -16.073 418 HB3 ALA 63 HB3 ALA 63 -10.813 -11.980 -15.273 419 H ARG 64 HN ARG 64 -13.439 -12.286 -15.007 420 HA ARG 64 HA ARG 64 -15.588 -11.374 -13.240 421 HB2 ARG 64 HB2 ARG 64 -15.756 -11.595 -16.228 422 HB3 ARG 64 HB1 ARG 64 -17.187 -11.831 -15.234 423 HG2 ARG 64 HG2 ARG 64 -15.467 -9.370 -15.089 424 HG3 ARG 64 HG1 ARG 64 -16.870 -9.520 -16.149 425 HD2 ARG 64 HD2 ARG 64 -18.362 -9.515 -14.403 426 HD3 ARG 64 HD1 ARG 64 -17.184 -10.153 -13.256 427 HE ARG 64 HE ARG 64 -16.295 -7.636 -13.975 428 HH11 ARG 64 HH11 ARG 64 -19.102 -9.009 -12.422 429 HH12 ARG 64 HH12 ARG 64 -19.410 -7.605 -11.457 430 HH21 ARG 64 HH21 ARG 64 -16.699 -5.787 -12.707 431 HH22 ARG 64 HH22 ARG 64 -18.046 -5.775 -11.619 432 H GLY 65 HN GLY 65 -15.132 -13.264 -12.016 433 HA2 GLY 65 HA2 GLY 65 -16.580 -15.343 -11.839 434 HA3 GLY 65 HA1 GLY 65 -15.841 -15.787 -13.371 435 H ASP 66 HN ASP 66 -13.986 -16.880 -13.357 436 HA ASP 66 HA ASP 66 -11.948 -16.655 -11.480 437 HB2 ASP 66 HB2 ASP 66 -12.234 -18.839 -10.270 438 HB3 ASP 66 HB1 ASP 66 -13.412 -17.606 -9.831 439 H TRP 67 HN TRP 67 -10.762 -16.753 -13.361 440 HA TRP 67 HA TRP 67 -10.526 -19.426 -14.584 441 HB2 TRP 67 HB2 TRP 67 -9.420 -17.515 -16.348 442 HB3 TRP 67 HB1 TRP 67 -10.886 -18.459 -16.576 443 HD1 TRP 67 HD1 TRP 67 -9.888 -15.090 -14.885 444 HE1 TRP 67 HE1 TRP 67 -11.846 -13.467 -15.204 445 HE3 TRP 67 HE3 TRP 67 -13.146 -18.205 -17.278 446 HZ2 TRP 67 HZ2 TRP 67 -14.417 -13.487 -16.325 447 HZ3 TRP 67 HZ3 TRP 67 -15.345 -17.321 -17.953 448 HH2 TRP 67 HH2 TRP 67 -15.966 -15.004 -17.486 449 H ASN 68 HN ASN 68 -8.673 -16.431 -14.541 450 HA ASN 68 HA ASN 68 -6.250 -17.958 -13.888 451 HB2 ASN 68 HB2 ASN 68 -6.212 -15.115 -14.847 452 HB3 ASN 68 HB1 ASN 68 -4.991 -16.369 -15.043 453 HD21 ASN 68 HD21 ASN 68 -8.233 -15.405 -16.058 454 HD22 ASN 68 HD22 ASN 68 -8.158 -16.144 -17.618 455 H ASP 69 HN ASP 69 -8.294 -15.291 -12.945 456 HA ASP 69 HA ASP 69 -8.463 -14.072 -11.038 457 HB2 ASP 69 HB2 ASP 69 -6.974 -16.489 -10.087 458 HB3 ASP 69 HB1 ASP 69 -7.216 -15.129 -8.996 459 H ASP 70 HN ASP 70 -7.458 -12.373 -10.025 460 HA ASP 70 HA ASP 70 -4.778 -11.789 -10.977 461 HB2 ASP 70 HB2 ASP 70 -6.724 -10.114 -11.023 462 HB3 ASP 70 HB1 ASP 70 -6.495 -9.989 -9.284 463 H TYR 71 HN TYR 71 -3.028 -12.181 -9.791 464 HA TYR 71 HA TYR 71 -3.333 -12.189 -6.868 465 HB2 TYR 71 HB2 TYR 71 -2.160 -14.290 -8.636 466 HB3 TYR 71 HB1 TYR 71 -1.593 -14.103 -6.977 467 HD1 TYR 71 HD1 TYR 71 -3.299 -14.158 -5.142 468 HD2 TYR 71 HD2 TYR 71 -4.125 -15.459 -9.086 469 HE1 TYR 71 HE1 TYR 71 -5.208 -15.433 -4.291 470 HE2 TYR 71 HE2 TYR 71 -6.053 -16.736 -8.276 471 HH TYR 71 HH TYR 71 -6.868 -17.742 -6.212 472 H CYS 72 HN CYS 72 -1.632 -11.600 -5.639 473 HA CYS 72 HA CYS 72 0.217 -9.779 -6.792 474 HB2 CYS 72 HB2 CYS 72 -0.789 -9.809 -4.405 475 HB3 CYS 72 HB1 CYS 72 0.503 -10.950 -4.040 476 H THR 73 HN THR 73 2.594 -9.941 -6.409 477 HA THR 73 HA THR 73 3.518 -12.712 -6.781 478 HB THR 73 HB THR 73 4.991 -12.054 -8.471 479 HG1 THR 73 HG1 THR 73 6.048 -10.287 -8.131 480 HG21 THR 73 HG21 THR 73 3.040 -9.967 -9.194 481 HG22 THR 73 HG22 THR 73 2.393 -11.584 -8.907 482 HG23 THR 73 HG23 THR 73 3.644 -11.337 -10.128 483 H GLY 74 HN GLY 74 3.489 -10.362 -4.581 484 HA2 GLY 74 HA2 GLY 74 4.800 -9.802 -2.788 485 HA3 GLY 74 HA1 GLY 74 5.545 -11.376 -3.011 486 H LYS 75 HN LYS 75 5.677 -8.953 -5.515 487 HA LYS 75 HA LYS 75 8.335 -8.094 -4.711 488 HB2 LYS 75 HB2 LYS 75 7.861 -9.487 -7.350 489 HB3 LYS 75 HB1 LYS 75 9.366 -8.738 -6.837 490 HG2 LYS 75 HG2 LYS 75 9.287 -10.363 -4.864 491 HG3 LYS 75 HG1 LYS 75 8.062 -11.225 -5.797 492 HD2 LYS 75 HD2 LYS 75 9.997 -10.854 -7.670 493 HD3 LYS 75 HD1 LYS 75 10.965 -11.031 -6.205 494 HE2 LYS 75 HE2 LYS 75 10.762 -13.219 -6.921 495 HE3 LYS 75 HE1 LYS 75 9.445 -13.085 -5.756 496 HZ1 LYS 75 HZ1 LYS 75 8.058 -12.459 -7.813 497 HZ2 LYS 75 HZ2 LYS 75 8.447 -14.086 -7.562 498 HZ3 LYS 75 HZ3 LYS 75 9.310 -13.176 -8.698 499 H SER 76 HN SER 76 5.533 -7.012 -5.380 500 HA SER 76 HA SER 76 6.437 -4.579 -6.534 501 HB2 SER 76 HB2 SER 76 5.061 -6.564 -8.290 502 HB3 SER 76 HB1 SER 76 4.677 -4.855 -8.497 503 HG SER 76 HG SER 76 6.944 -4.489 -8.750 504 H SER 77 HN SER 77 4.679 -3.001 -6.812 505 HA SER 77 HA SER 77 2.670 -3.362 -4.738 506 HB2 SER 77 HB2 SER 77 2.223 -0.920 -5.169 507 HB3 SER 77 HB1 SER 77 3.874 -1.281 -4.665 508 HG SER 77 HG SER 77 4.600 -0.790 -6.616 509 H ASP 78 HN ASP 78 2.697 -4.409 -7.714 510 HA ASP 78 HA ASP 78 -0.083 -3.599 -8.264 511 HB2 ASP 78 HB2 ASP 78 2.265 -3.896 -10.069 512 HB3 ASP 78 HB1 ASP 78 0.698 -4.404 -10.693 513 H CYS 79 HN CYS 79 -1.510 -5.172 -8.981 514 HA CYS 79 HA CYS 79 -0.627 -7.955 -8.555 515 HB2 CYS 79 HB2 CYS 79 -2.599 -6.504 -7.216 516 HB3 CYS 79 HB1 CYS 79 -3.494 -7.537 -8.325 517 HA PRO 80 HA PRO 80 -1.784 -8.061 -12.953 518 HB2 PRO 80 HB2 PRO 80 -0.648 -10.463 -13.475 519 HB3 PRO 80 HB1 PRO 80 0.290 -8.969 -13.361 520 HG2 PRO 80 HG2 PRO 80 -0.126 -11.104 -11.300 521 HG3 PRO 80 HG1 PRO 80 1.373 -10.276 -11.763 522 HD2 PRO 80 HD2 PRO 80 -0.039 -9.583 -9.566 523 HD3 PRO 80 HD1 PRO 80 0.865 -8.396 -10.526 524 H TRP 81 HN TRP 81 -3.538 -8.890 -13.929 525 HA TRP 81 HA TRP 81 -5.447 -10.435 -12.510 526 HB2 TRP 81 HB2 TRP 81 -5.710 -10.478 -15.433 527 HB3 TRP 81 HB1 TRP 81 -6.860 -9.964 -14.209 528 HD1 TRP 81 HD1 TRP 81 -4.105 -8.628 -16.492 529 HE1 TRP 81 HE1 TRP 81 -4.272 -6.059 -16.544 530 HE3 TRP 81 HE3 TRP 81 -7.572 -7.989 -12.822 531 HZ2 TRP 81 HZ2 TRP 81 -5.701 -4.036 -15.201 532 HZ3 TRP 81 HZ3 TRP 81 -8.303 -5.702 -12.258 533 HH2 TRP 81 HH2 TRP 81 -7.380 -3.763 -13.425 534 H ASN 82 HN ASN 82 -2.720 -11.341 -14.299 535 HA ASN 82 HA ASN 82 -1.829 -13.382 -14.810 536 HB2 ASN 82 HB2 ASN 82 -4.322 -14.519 -13.510 537 HB3 ASN 82 HB1 ASN 82 -2.898 -15.441 -13.980 538 HD21 ASN 82 HD21 ASN 82 -1.478 -15.816 -12.450 539 HD22 ASN 82 HD22 ASN 82 -1.274 -14.900 -11.000 540 H HIS 83 HN HIS 83 -3.705 -11.803 -16.440 541 HA HIS 83 HA HIS 83 -4.960 -13.852 -18.112 542 HB2 HIS 83 HB2 HIS 83 -5.254 -10.835 -18.144 543 HB3 HIS 83 HB1 HIS 83 -6.158 -11.964 -19.154 544 HD1 HIS 83 HD1 HIS 83 -7.501 -10.011 -17.097 545 HD2 HIS 83 HD2 HIS 83 -6.610 -14.005 -16.396 546 HE1 HIS 83 HE1 HIS 83 -9.017 -10.721 -15.221 547 HE2 HIS 83 HE2 HIS 83 -8.541 -13.171 -14.892 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 -7.923 13.148 19.432 2 H2 SER 1 HT2 SER 1 -7.674 14.681 18.702 3 H3 SER 1 HT3 SER 1 -6.820 14.259 20.129 4 HA SER 1 HA SER 1 -5.579 12.646 19.027 5 HB2 SER 1 HB2 SER 1 -7.575 13.164 16.832 6 HB3 SER 1 HB1 SER 1 -6.010 12.430 16.480 7 HG SER 1 HG SER 1 -8.189 11.252 17.406 8 HA PRO 2 HA PRO 2 -2.969 15.857 17.466 9 HB2 PRO 2 HB2 PRO 2 -1.309 14.160 15.884 10 HB3 PRO 2 HB1 PRO 2 -1.051 14.663 17.554 11 HG2 PRO 2 HG2 PRO 2 -1.596 12.070 16.728 12 HG3 PRO 2 HG1 PRO 2 -1.802 12.684 18.377 13 HD2 PRO 2 HD2 PRO 2 -3.843 12.278 16.232 14 HD3 PRO 2 HD1 PRO 2 -3.982 12.033 17.988 15 HA PRO 3 HA PRO 3 -3.936 16.875 13.257 16 HB2 PRO 3 HB2 PRO 3 -2.180 18.793 12.739 17 HB3 PRO 3 HB1 PRO 3 -3.376 18.991 14.025 18 HG2 PRO 3 HG2 PRO 3 -0.473 18.344 14.219 19 HG3 PRO 3 HG1 PRO 3 -1.479 19.329 15.294 20 HD2 PRO 3 HD2 PRO 3 -0.745 16.642 15.693 21 HD3 PRO 3 HD1 PRO 3 -2.000 17.532 16.578 22 H VAL 4 HN VAL 4 -3.684 15.928 11.359 23 HA VAL 4 HA VAL 4 -1.654 14.247 10.680 24 HB VAL 4 HB VAL 4 -3.512 14.005 9.328 25 HG11 VAL 4 HG11 VAL 4 -4.465 16.068 8.073 26 HG12 VAL 4 HG12 VAL 4 -3.615 16.990 9.312 27 HG13 VAL 4 HG13 VAL 4 -4.858 15.828 9.775 28 HG21 VAL 4 HG21 VAL 4 -2.113 15.835 7.467 29 HG22 VAL 4 HG22 VAL 4 -2.769 14.229 7.174 30 HG23 VAL 4 HG23 VAL 4 -1.262 14.423 8.070 31 H CYS 5 HN CYS 5 0.352 14.931 10.903 32 HA CYS 5 HA CYS 5 1.299 17.494 10.184 33 HB2 CYS 5 HB2 CYS 5 3.122 15.114 10.210 34 HB3 CYS 5 HB1 CYS 5 3.433 16.749 10.776 35 H GLY 6 HN GLY 6 0.813 18.081 8.151 36 HA2 GLY 6 HA2 GLY 6 1.886 18.254 5.961 37 HA3 GLY 6 HA1 GLY 6 2.029 16.502 5.972 38 H ASN 7 HN ASN 7 -0.909 17.682 7.246 39 HA ASN 7 HA ASN 7 -3.070 17.585 6.561 40 HB2 ASN 7 HB2 ASN 7 -1.622 18.608 4.179 41 HB3 ASN 7 HB1 ASN 7 -3.227 17.946 3.869 42 HD21 ASN 7 HD21 ASN 7 -1.475 20.236 5.912 43 HD22 ASN 7 HD22 ASN 7 -2.787 21.345 6.099 44 H LYS 8 HN LYS 8 -4.450 15.940 6.146 45 HA LYS 8 HA LYS 8 -3.682 13.366 5.754 46 HB2 LYS 8 HB2 LYS 8 -6.049 14.397 6.212 47 HB3 LYS 8 HB1 LYS 8 -6.238 14.263 4.469 48 HG2 LYS 8 HG2 LYS 8 -5.677 12.020 6.397 49 HG3 LYS 8 HG1 LYS 8 -7.187 12.330 5.538 50 HD2 LYS 8 HD2 LYS 8 -5.622 12.169 3.422 51 HD3 LYS 8 HD1 LYS 8 -4.605 11.236 4.522 52 HE2 LYS 8 HE2 LYS 8 -6.065 9.506 4.619 53 HE3 LYS 8 HE1 LYS 8 -7.479 10.551 4.487 54 HZ1 LYS 8 HZ1 LYS 8 -6.946 10.827 2.111 55 HZ2 LYS 8 HZ2 LYS 8 -7.287 9.222 2.520 56 HZ3 LYS 8 HZ3 LYS 8 -5.686 9.709 2.274 57 H ILE 9 HN ILE 9 -2.171 12.905 4.239 58 HA ILE 9 HA ILE 9 -1.822 13.966 1.766 59 HB ILE 9 HB ILE 9 -0.896 11.784 0.977 60 HG12 ILE 9 HG12 ILE 9 -0.538 10.086 2.829 61 HG13 ILE 9 HG11 ILE 9 -1.848 10.890 3.693 62 HG21 ILE 9 HG21 ILE 9 -0.019 12.986 3.581 63 HG22 ILE 9 HG22 ILE 9 0.574 13.334 1.957 64 HG23 ILE 9 HG23 ILE 9 0.928 11.780 2.711 65 HD11 ILE 9 HD11 ILE 9 -3.380 9.825 2.493 66 HD12 ILE 9 HD12 ILE 9 -2.071 8.829 1.860 67 HD13 ILE 9 HD13 ILE 9 -2.594 10.260 0.976 68 H LEU 10 HN LEU 10 -2.656 13.892 -0.194 69 HA LEU 10 HA LEU 10 -5.189 12.476 -0.482 70 HB2 LEU 10 HB2 LEU 10 -5.533 14.039 -2.418 71 HB3 LEU 10 HB1 LEU 10 -5.440 14.797 -0.839 72 HG LEU 10 HG LEU 10 -4.228 15.885 -2.854 73 HD11 LEU 10 HD11 LEU 10 -2.190 16.187 -1.056 74 HD12 LEU 10 HD12 LEU 10 -3.532 15.669 -0.035 75 HD13 LEU 10 HD13 LEU 10 -3.702 17.094 -1.061 76 HD21 LEU 10 HD21 LEU 10 -1.929 15.186 -3.175 77 HD22 LEU 10 HD22 LEU 10 -3.034 13.876 -3.587 78 HD23 LEU 10 HD23 LEU 10 -2.161 13.843 -2.056 79 H GLU 11 HN GLU 11 -2.233 11.653 -0.982 80 HA GLU 11 HA GLU 11 -2.684 9.628 -2.807 81 HB2 GLU 11 HB2 GLU 11 -1.558 10.398 -4.831 82 HB3 GLU 11 HB1 GLU 11 -2.960 11.399 -4.485 83 HG2 GLU 11 HG2 GLU 11 -1.610 13.136 -4.769 84 HG3 GLU 11 HG1 GLU 11 -0.927 12.722 -3.197 85 H GLN 12 HN GLN 12 -1.222 10.086 -0.365 86 HA GLN 12 HA GLN 12 1.152 8.682 -1.019 87 HB2 GLN 12 HB2 GLN 12 2.723 10.462 -0.062 88 HB3 GLN 12 HB1 GLN 12 2.145 10.684 -1.706 89 HG2 GLN 12 HG2 GLN 12 0.271 12.052 -0.329 90 HG3 GLN 12 HG1 GLN 12 1.683 12.289 0.702 91 HE21 GLN 12 HE21 GLN 12 3.680 12.341 -1.198 92 HE22 GLN 12 HE22 GLN 12 3.493 13.747 -2.183 93 H GLY 13 HN GLY 13 -0.455 7.622 0.619 94 HA2 GLY 13 HA2 GLY 13 -0.642 8.365 3.286 95 HA3 GLY 13 HA1 GLY 13 -0.644 6.704 2.720 96 H GLU 14 HN GLU 14 1.992 6.809 1.611 97 HA GLU 14 HA GLU 14 3.691 7.140 3.992 98 HB2 GLU 14 HB2 GLU 14 2.982 4.679 2.684 99 HB3 GLU 14 HB1 GLU 14 4.705 4.968 2.483 100 HG2 GLU 14 HG2 GLU 14 4.912 5.244 4.920 101 HG3 GLU 14 HG1 GLU 14 3.198 4.865 5.085 102 H ASP 15 HN ASP 15 3.212 7.341 0.593 103 HA ASP 15 HA ASP 15 5.748 7.604 -0.438 104 HB2 ASP 15 HB2 ASP 15 4.029 7.699 -2.010 105 HB3 ASP 15 HB1 ASP 15 3.090 8.843 -1.060 106 H CYS 16 HN CYS 16 3.915 9.729 1.612 107 HA CYS 16 HA CYS 16 5.996 11.057 2.724 108 HB2 CYS 16 HB2 CYS 16 6.794 12.186 0.908 109 HB3 CYS 16 HB1 CYS 16 5.221 12.244 0.121 110 H ASP 17 HN ASP 17 5.211 11.850 4.511 111 HA ASP 17 HA ASP 17 3.894 12.944 6.004 112 HB2 ASP 17 HB2 ASP 17 2.073 13.638 3.694 113 HB3 ASP 17 HB1 ASP 17 2.083 14.380 5.289 114 H CYS 18 HN CYS 18 3.484 10.896 6.910 115 HA CYS 18 HA CYS 18 1.823 8.906 6.308 116 HB2 CYS 18 HB2 CYS 18 3.074 9.114 8.459 117 HB3 CYS 18 HB1 CYS 18 1.817 10.202 9.044 118 H GLY 19 HN GLY 19 0.727 12.003 7.664 119 HA2 GLY 19 HA2 GLY 19 -1.326 13.033 7.361 120 HA3 GLY 19 HA1 GLY 19 -1.868 11.646 6.430 121 H SER 20 HN SER 20 -0.824 9.993 8.845 122 HA SER 20 HA SER 20 -3.299 10.263 10.341 123 HB2 SER 20 HB2 SER 20 -1.699 8.007 11.140 124 HB3 SER 20 HB1 SER 20 -3.337 8.044 10.493 125 HG SER 20 HG SER 20 -2.288 8.292 8.382 126 HA PRO 21 HA PRO 21 -0.510 12.647 13.030 127 HB2 PRO 21 HB2 PRO 21 -2.771 13.005 14.744 128 HB3 PRO 21 HB1 PRO 21 -2.007 14.189 13.690 129 HG2 PRO 21 HG2 PRO 21 -4.443 12.608 13.269 130 HG3 PRO 21 HG1 PRO 21 -3.929 14.110 12.487 131 HD2 PRO 21 HD2 PRO 21 -3.957 11.692 11.236 132 HD3 PRO 21 HD1 PRO 21 -2.841 12.993 10.799 133 H ALA 22 HN ALA 22 -2.882 10.175 13.969 134 HA ALA 22 HA ALA 22 -2.095 9.630 16.550 135 HB1 ALA 22 HB1 ALA 22 -3.320 7.730 16.374 136 HB2 ALA 22 HB2 ALA 22 -2.571 7.258 14.848 137 HB3 ALA 22 HB3 ALA 22 -3.842 8.481 14.866 138 H ASN 23 HN ASN 23 -0.467 8.961 13.568 139 HA ASN 23 HA ASN 23 1.865 7.999 15.056 140 HB2 ASN 23 HB2 ASN 23 0.512 6.679 12.722 141 HB3 ASN 23 HB1 ASN 23 2.249 6.499 12.946 142 HD21 ASN 23 HD21 ASN 23 1.492 4.211 13.086 143 HD22 ASN 23 HD22 ASN 23 1.075 3.610 14.651 144 H CYS 24 HN CYS 24 1.631 10.577 14.394 145 HA CYS 24 HA CYS 24 2.252 11.545 11.932 146 HB2 CYS 24 HB2 CYS 24 1.878 13.011 13.829 147 HB3 CYS 24 HB1 CYS 24 3.377 12.474 14.579 148 H GLN 25 HN GLN 25 4.318 9.709 14.017 149 HA GLN 25 HA GLN 25 6.223 9.303 11.924 150 HB2 GLN 25 HB2 GLN 25 8.163 10.093 13.412 151 HB3 GLN 25 HB1 GLN 25 7.231 11.321 12.568 152 HG2 GLN 25 HG2 GLN 25 6.242 12.091 14.492 153 HG3 GLN 25 HG1 GLN 25 6.469 10.566 15.347 154 HE21 GLN 25 HE21 GLN 25 7.096 12.892 16.585 155 HE22 GLN 25 HE22 GLN 25 8.809 13.041 16.750 156 H ASP 26 HN ASP 26 4.456 7.761 13.635 157 HA ASP 26 HA ASP 26 5.910 6.436 15.666 158 HB2 ASP 26 HB2 ASP 26 3.444 6.426 15.538 159 HB3 ASP 26 HB1 ASP 26 3.531 5.444 14.079 160 H ARG 27 HN ARG 27 4.779 4.981 12.610 161 HA ARG 27 HA ARG 27 7.395 3.976 11.984 162 HB2 ARG 27 HB2 ARG 27 7.030 1.663 12.295 163 HB3 ARG 27 HB1 ARG 27 6.502 2.425 13.789 164 HG2 ARG 27 HG2 ARG 27 4.165 2.384 12.498 165 HG3 ARG 27 HG1 ARG 27 4.936 0.997 11.724 166 HD2 ARG 27 HD2 ARG 27 5.330 0.986 14.595 167 HD3 ARG 27 HD1 ARG 27 3.619 1.028 14.173 168 HE ARG 27 HE ARG 27 3.795 -1.109 13.359 169 HH11 ARG 27 HH11 ARG 27 6.997 0.191 13.853 170 HH12 ARG 27 HH12 ARG 27 7.789 -1.323 13.577 171 HH21 ARG 27 HH21 ARG 27 4.837 -3.101 12.997 172 HH22 ARG 27 HH22 ARG 27 6.564 -3.192 13.091 173 H CYS 28 HN CYS 28 7.433 2.731 9.994 174 HA CYS 28 HA CYS 28 6.879 2.322 7.839 175 HB2 CYS 28 HB2 CYS 28 4.259 2.240 9.208 176 HB3 CYS 28 HB1 CYS 28 4.212 2.449 7.461 177 H CYS 29 HN CYS 29 4.533 4.803 8.922 178 HA CYS 29 HA CYS 29 5.210 6.346 6.519 179 HB2 CYS 29 HB2 CYS 29 3.110 7.604 7.050 180 HB3 CYS 29 HB1 CYS 29 2.863 5.896 6.706 181 H ASN 30 HN ASN 30 5.831 8.434 6.557 182 HA ASN 30 HA ASN 30 6.624 9.520 9.175 183 HB2 ASN 30 HB2 ASN 30 7.944 9.593 6.488 184 HB3 ASN 30 HB1 ASN 30 8.220 10.897 7.624 185 HD21 ASN 30 HD21 ASN 30 8.151 9.397 9.993 186 HD22 ASN 30 HD22 ASN 30 9.548 8.387 10.034 187 H ALA 31 HN ALA 31 4.896 10.692 9.659 188 HA ALA 31 HA ALA 31 3.690 12.510 7.761 189 HB1 ALA 31 HB1 ALA 31 2.905 13.078 10.457 190 HB2 ALA 31 HB2 ALA 31 2.891 11.334 10.204 191 HB3 ALA 31 HB3 ALA 31 1.942 12.382 9.152 192 H ALA 32 HN ALA 32 6.167 12.461 10.116 193 HA ALA 32 HA ALA 32 6.426 15.391 10.071 194 HB1 ALA 32 HB1 ALA 32 7.983 15.073 11.958 195 HB2 ALA 32 HB2 ALA 32 7.699 13.334 11.874 196 HB3 ALA 32 HB3 ALA 32 6.377 14.426 12.292 197 H THR 33 HN THR 33 7.419 12.898 8.243 198 HA THR 33 HA THR 33 9.996 14.182 7.685 199 HB THR 33 HB THR 33 10.110 11.347 7.159 200 HG1 THR 33 HG1 THR 33 10.157 10.840 9.485 201 HG21 THR 33 HG21 THR 33 11.967 13.090 7.592 202 HG22 THR 33 HG22 THR 33 12.151 11.440 8.187 203 HG23 THR 33 HG23 THR 33 11.654 12.725 9.288 204 H CYS 34 HN CYS 34 7.095 13.696 6.440 205 HA CYS 34 HA CYS 34 6.199 13.439 4.358 206 HB2 CYS 34 HB2 CYS 34 7.178 15.593 4.056 207 HB3 CYS 34 HB1 CYS 34 8.775 14.906 3.804 208 H LYS 35 HN LYS 35 7.148 10.977 5.010 209 HA LYS 35 HA LYS 35 7.610 9.841 2.467 210 HB2 LYS 35 HB2 LYS 35 9.937 10.813 3.636 211 HB3 LYS 35 HB1 LYS 35 9.983 9.079 3.921 212 HG2 LYS 35 HG2 LYS 35 10.964 9.077 1.894 213 HG3 LYS 35 HG1 LYS 35 9.288 9.067 1.341 214 HD2 LYS 35 HD2 LYS 35 9.437 11.138 0.489 215 HD3 LYS 35 HD1 LYS 35 10.343 11.743 1.878 216 HE2 LYS 35 HE2 LYS 35 12.381 10.742 0.997 217 HE3 LYS 35 HE1 LYS 35 11.484 10.103 -0.379 218 HZ1 LYS 35 HZ1 LYS 35 11.928 12.967 0.267 219 HZ2 LYS 35 HZ2 LYS 35 10.947 12.412 -0.994 220 HZ3 LYS 35 HZ3 LYS 35 12.610 12.104 -1.019 221 H LEU 36 HN LEU 36 8.565 7.513 2.739 222 HA LEU 36 HA LEU 36 6.987 6.226 4.852 223 HB2 LEU 36 HB2 LEU 36 6.775 4.341 3.493 224 HB3 LEU 36 HB1 LEU 36 6.637 5.677 2.369 225 HG LEU 36 HG LEU 36 9.108 3.991 2.793 226 HD11 LEU 36 HD11 LEU 36 6.791 3.770 1.009 227 HD12 LEU 36 HD12 LEU 36 7.956 2.548 1.519 228 HD13 LEU 36 HD13 LEU 36 8.358 3.656 0.208 229 HD21 LEU 36 HD21 LEU 36 9.864 6.121 2.153 230 HD22 LEU 36 HD22 LEU 36 8.526 6.350 1.027 231 HD23 LEU 36 HD23 LEU 36 9.803 5.190 0.656 232 H THR 37 HN THR 37 8.115 5.709 6.596 233 HA THR 37 HA THR 37 10.845 5.783 6.890 234 HB THR 37 HB THR 37 10.488 4.374 8.936 235 HG1 THR 37 HG1 THR 37 8.743 3.140 8.120 236 HG21 THR 37 HG21 THR 37 10.212 6.787 9.044 237 HG22 THR 37 HG22 THR 37 9.085 5.948 10.110 238 HG23 THR 37 HG23 THR 37 8.520 6.614 8.576 239 HA PRO 38 HA PRO 38 13.044 2.331 5.329 240 HB2 PRO 38 HB2 PRO 38 13.587 1.747 8.221 241 HB3 PRO 38 HB1 PRO 38 14.710 1.752 6.853 242 HG2 PRO 38 HG2 PRO 38 14.648 3.811 8.504 243 HG3 PRO 38 HG1 PRO 38 14.768 4.083 6.754 244 HD2 PRO 38 HD2 PRO 38 12.439 4.445 8.574 245 HD3 PRO 38 HD1 PRO 38 12.882 5.347 7.111 246 H GLY 39 HN GLY 39 12.764 0.166 4.934 247 HA2 GLY 39 HA2 GLY 39 12.001 -2.021 5.347 248 HA3 GLY 39 HA1 GLY 39 11.087 -1.419 6.721 249 H SER 40 HN SER 40 10.018 0.788 4.938 250 HA SER 40 HA SER 40 7.656 -0.599 4.126 251 HB2 SER 40 HB2 SER 40 7.800 1.789 5.030 252 HB3 SER 40 HB1 SER 40 8.366 2.250 3.426 253 HG SER 40 HG SER 40 5.970 0.801 3.810 254 H GLN 41 HN GLN 41 7.779 -1.898 2.391 255 HA GLN 41 HA GLN 41 9.480 -1.366 0.158 256 HB2 GLN 41 HB2 GLN 41 7.216 -3.345 0.496 257 HB3 GLN 41 HB1 GLN 41 8.310 -3.309 -0.879 258 HG2 GLN 41 HG2 GLN 41 10.049 -3.406 1.220 259 HG3 GLN 41 HG1 GLN 41 8.700 -4.376 1.811 260 HE21 GLN 41 HE21 GLN 41 10.138 -3.940 -1.402 261 HE22 GLN 41 HE22 GLN 41 10.447 -5.617 -1.680 262 H CYS 42 HN CYS 42 6.150 -0.748 0.956 263 HA CYS 42 HA CYS 42 5.908 0.967 -1.376 264 HB2 CYS 42 HB2 CYS 42 5.059 -1.194 -2.171 265 HB3 CYS 42 HB1 CYS 42 3.937 -1.258 -0.817 266 H ASN 43 HN ASN 43 4.606 2.700 -1.037 267 HA ASN 43 HA ASN 43 3.879 3.275 1.659 268 HB2 ASN 43 HB2 ASN 43 2.926 5.388 0.634 269 HB3 ASN 43 HB1 ASN 43 4.639 5.109 0.341 270 HD21 ASN 43 HD21 ASN 43 2.053 6.288 -1.076 271 HD22 ASN 43 HD22 ASN 43 2.328 5.834 -2.720 272 H TYR 44 HN TYR 44 2.143 2.378 -1.252 273 HA TYR 44 HA TYR 44 -0.010 1.232 0.119 274 HB2 TYR 44 HB2 TYR 44 -1.790 2.785 -0.167 275 HB3 TYR 44 HB1 TYR 44 -0.475 3.683 0.581 276 HD1 TYR 44 HD1 TYR 44 -1.942 2.933 -2.769 277 HD2 TYR 44 HD2 TYR 44 0.187 5.708 -0.343 278 HE1 TYR 44 HE1 TYR 44 -2.062 4.593 -4.573 279 HE2 TYR 44 HE2 TYR 44 0.074 7.378 -2.140 280 HH TYR 44 HH TYR 44 -0.845 6.604 -5.314 281 H GLY 45 HN GLY 45 -1.783 0.578 -1.378 282 HA2 GLY 45 HA2 GLY 45 -2.249 0.775 -3.925 283 HA3 GLY 45 HA1 GLY 45 -0.633 0.094 -4.036 284 H GLU 46 HN GLU 46 -2.177 -1.438 -5.295 285 HA GLU 46 HA GLU 46 -3.891 -3.196 -3.968 286 HB2 GLU 46 HB2 GLU 46 -2.244 -3.443 -6.470 287 HB3 GLU 46 HB1 GLU 46 -3.234 -4.778 -5.898 288 HG2 GLU 46 HG2 GLU 46 -4.341 -3.403 -7.616 289 HG3 GLU 46 HG1 GLU 46 -5.229 -3.469 -6.094 290 H CYS 47 HN CYS 47 -0.421 -3.483 -4.636 291 HA CYS 47 HA CYS 47 -0.301 -5.874 -2.935 292 HB2 CYS 47 HB2 CYS 47 1.478 -4.734 -5.063 293 HB3 CYS 47 HB1 CYS 47 2.130 -5.864 -3.884 294 H CYS 48 HN CYS 48 -0.634 -3.272 -1.711 295 HA CYS 48 HA CYS 48 1.941 -3.134 -0.292 296 HB2 CYS 48 HB2 CYS 48 0.210 -0.715 -0.737 297 HB3 CYS 48 HB1 CYS 48 1.896 -0.779 -0.233 298 H ASP 49 HN ASP 49 1.720 -3.738 1.724 299 HA ASP 49 HA ASP 49 -0.568 -2.790 3.276 300 HB2 ASP 49 HB2 ASP 49 -0.784 -5.250 2.320 301 HB3 ASP 49 HB1 ASP 49 0.273 -5.630 3.676 302 H GLN 50 HN GLN 50 0.093 -1.951 5.136 303 HA GLN 50 HA GLN 50 1.356 -1.427 6.953 304 HB2 GLN 50 HB2 GLN 50 1.140 -3.770 7.555 305 HB3 GLN 50 HB1 GLN 50 2.474 -4.200 6.496 306 HG2 GLN 50 HG2 GLN 50 4.030 -3.005 7.888 307 HG3 GLN 50 HG1 GLN 50 2.715 -2.406 8.899 308 HE21 GLN 50 HE21 GLN 50 5.086 -4.044 9.539 309 HE22 GLN 50 HE22 GLN 50 4.470 -5.466 10.303 310 H CYS 51 HN CYS 51 3.832 -3.417 5.370 311 HA CYS 51 HA CYS 51 5.187 -1.173 4.227 312 HB2 CYS 51 HB2 CYS 51 5.935 -2.134 6.924 313 HB3 CYS 51 HB1 CYS 51 7.269 -1.868 5.806 314 H ARG 52 HN ARG 52 4.281 -3.670 3.252 315 HA ARG 52 HA ARG 52 6.702 -4.591 2.013 316 HB2 ARG 52 HB2 ARG 52 6.164 -5.860 4.341 317 HB3 ARG 52 HB1 ARG 52 5.234 -6.854 3.227 318 HG2 ARG 52 HG2 ARG 52 7.105 -7.957 2.796 319 HG3 ARG 52 HG1 ARG 52 7.685 -6.511 1.968 320 HD2 ARG 52 HD2 ARG 52 8.132 -5.990 4.658 321 HD3 ARG 52 HD1 ARG 52 8.550 -7.692 4.471 322 HE ARG 52 HE ARG 52 9.686 -5.992 2.451 323 HH11 ARG 52 HH11 ARG 52 10.111 -7.308 5.655 324 HH12 ARG 52 HH12 ARG 52 11.833 -7.130 5.635 325 HH21 ARG 52 HH21 ARG 52 11.952 -5.758 2.423 326 HH22 ARG 52 HH22 ARG 52 12.878 -6.250 3.801 327 H PHE 53 HN PHE 53 6.295 -6.080 0.242 328 HA PHE 53 HA PHE 53 3.866 -5.459 -1.110 329 HB2 PHE 53 HB2 PHE 53 6.184 -7.266 -1.771 330 HB3 PHE 53 HB1 PHE 53 4.756 -7.182 -2.800 331 HD1 PHE 53 HD2 PHE 53 4.139 -4.298 -2.621 332 HD2 PHE 53 HD1 PHE 53 7.853 -6.312 -3.090 333 HE1 PHE 53 HE2 PHE 53 5.047 -2.331 -3.752 334 HE2 PHE 53 HE1 PHE 53 8.779 -4.335 -4.228 335 HZ PHE 53 HZ PHE 53 7.376 -2.338 -4.563 336 H LYS 54 HN LYS 54 2.066 -6.660 -1.441 337 HA LYS 54 HA LYS 54 1.330 -8.587 0.443 338 HB2 LYS 54 HB2 LYS 54 0.210 -7.898 -2.269 339 HB3 LYS 54 HB1 LYS 54 -0.519 -9.128 -1.246 340 HG2 LYS 54 HG2 LYS 54 -0.099 -6.263 -0.425 341 HG3 LYS 54 HG1 LYS 54 -1.606 -6.914 -1.076 342 HD2 LYS 54 HD2 LYS 54 -1.207 -8.681 0.882 343 HD3 LYS 54 HD1 LYS 54 -0.351 -7.306 1.582 344 HE2 LYS 54 HE2 LYS 54 -2.392 -6.751 2.356 345 HE3 LYS 54 HE1 LYS 54 -2.612 -6.098 0.733 346 HZ1 LYS 54 HZ1 LYS 54 -3.360 -8.866 1.492 347 HZ2 LYS 54 HZ2 LYS 54 -3.756 -8.048 0.065 348 HZ3 LYS 54 HZ3 LYS 54 -4.441 -7.565 1.535 349 H LYS 55 HN LYS 55 2.846 -10.207 0.603 350 HA LYS 55 HA LYS 55 4.310 -11.668 -0.976 351 HB2 LYS 55 HB2 LYS 55 3.847 -12.286 1.359 352 HB3 LYS 55 HB1 LYS 55 2.301 -12.967 0.870 353 HG2 LYS 55 HG2 LYS 55 3.482 -14.882 0.854 354 HG3 LYS 55 HG1 LYS 55 3.925 -14.336 -0.764 355 HD2 LYS 55 HD2 LYS 55 5.795 -13.067 0.729 356 HD3 LYS 55 HD1 LYS 55 5.550 -14.531 1.683 357 HE2 LYS 55 HE2 LYS 55 7.148 -15.305 0.262 358 HE3 LYS 55 HE1 LYS 55 5.724 -15.658 -0.715 359 HZ1 LYS 55 HZ1 LYS 55 6.070 -13.653 -1.955 360 HZ2 LYS 55 HZ2 LYS 55 7.509 -14.540 -1.961 361 HZ3 LYS 55 HZ3 LYS 55 7.355 -13.189 -0.956 362 H ALA 56 HN ALA 56 4.246 -12.755 -2.836 363 HA ALA 56 HA ALA 56 2.226 -12.795 -4.617 364 HB1 ALA 56 HB1 ALA 56 4.557 -14.569 -4.208 365 HB2 ALA 56 HB2 ALA 56 4.108 -13.584 -5.600 366 HB3 ALA 56 HB3 ALA 56 3.306 -15.129 -5.319 367 H GLY 57 HN GLY 57 0.299 -13.709 -4.824 368 HA2 GLY 57 HA2 GLY 57 -1.019 -15.794 -4.710 369 HA3 GLY 57 HA1 GLY 57 -0.297 -16.064 -3.129 370 H THR 58 HN THR 58 -0.661 -12.916 -3.004 371 HA THR 58 HA THR 58 -3.123 -13.057 -1.511 372 HB THR 58 HB THR 58 -1.296 -10.728 -2.154 373 HG1 THR 58 HG1 THR 58 -1.573 -12.220 0.242 374 HG21 THR 58 HG21 THR 58 -2.878 -10.498 0.254 375 HG22 THR 58 HG22 THR 58 -3.876 -10.562 -1.200 376 HG23 THR 58 HG23 THR 58 -2.613 -9.337 -1.048 377 H VAL 59 HN VAL 59 -4.967 -13.152 -2.702 378 HA VAL 59 HA VAL 59 -5.257 -12.045 -5.279 379 HB VAL 59 HB VAL 59 -6.717 -13.855 -4.501 380 HG11 VAL 59 HG11 VAL 59 -8.016 -13.781 -2.669 381 HG12 VAL 59 HG12 VAL 59 -8.475 -12.099 -2.937 382 HG13 VAL 59 HG13 VAL 59 -6.929 -12.482 -2.180 383 HG21 VAL 59 HG21 VAL 59 -7.547 -12.595 -6.343 384 HG22 VAL 59 HG22 VAL 59 -8.110 -11.304 -5.282 385 HG23 VAL 59 HG23 VAL 59 -8.902 -12.879 -5.250 386 H CYS 60 HN CYS 60 -5.343 -9.964 -5.807 387 HA CYS 60 HA CYS 60 -6.357 -8.055 -3.815 388 HB2 CYS 60 HB2 CYS 60 -4.874 -7.262 -6.302 389 HB3 CYS 60 HB1 CYS 60 -5.039 -6.381 -4.789 390 H ARG 61 HN ARG 61 -6.954 -9.397 -6.936 391 HA ARG 61 HA ARG 61 -9.454 -7.941 -7.112 392 HB2 ARG 61 HB2 ARG 61 -7.685 -7.879 -9.536 393 HB3 ARG 61 HB1 ARG 61 -9.096 -6.895 -9.175 394 HG2 ARG 61 HG2 ARG 61 -7.810 -5.752 -7.411 395 HG3 ARG 61 HG1 ARG 61 -6.391 -6.694 -7.871 396 HD2 ARG 61 HD2 ARG 61 -7.905 -4.857 -9.722 397 HD3 ARG 61 HD1 ARG 61 -6.440 -4.413 -8.849 398 HE ARG 61 HE ARG 61 -6.247 -6.761 -10.540 399 HH11 ARG 61 HH11 ARG 61 -5.747 -3.315 -10.249 400 HH12 ARG 61 HH12 ARG 61 -4.605 -3.248 -11.548 401 HH21 ARG 61 HH21 ARG 61 -4.749 -6.667 -12.251 402 HH22 ARG 61 HH22 ARG 61 -4.040 -5.148 -12.685 403 H ILE 62 HN ILE 62 -10.440 -8.582 -9.423 404 HA ILE 62 HA ILE 62 -9.868 -11.096 -10.511 405 HB ILE 62 HB ILE 62 -10.579 -12.112 -8.471 406 HG12 ILE 62 HG12 ILE 62 -12.542 -13.403 -9.175 407 HG13 ILE 62 HG11 ILE 62 -12.907 -12.201 -10.407 408 HG21 ILE 62 HG21 ILE 62 -11.866 -9.961 -7.821 409 HG22 ILE 62 HG22 ILE 62 -12.415 -11.519 -7.205 410 HG23 ILE 62 HG23 ILE 62 -13.242 -10.769 -8.573 411 HD11 ILE 62 HD11 ILE 62 -10.837 -14.314 -10.365 412 HD12 ILE 62 HD12 ILE 62 -10.454 -12.804 -11.190 413 HD13 ILE 62 HD13 ILE 62 -11.858 -13.746 -11.686 414 H ALA 63 HN ALA 63 -10.909 -11.275 -12.394 415 HA ALA 63 HA ALA 63 -12.309 -9.149 -13.465 416 HB1 ALA 63 HB1 ALA 63 -13.117 -11.331 -14.984 417 HB2 ALA 63 HB2 ALA 63 -11.538 -11.780 -14.337 418 HB3 ALA 63 HB3 ALA 63 -11.721 -10.292 -15.262 419 H ARG 64 HN ARG 64 -14.146 -12.124 -13.740 420 HA ARG 64 HA ARG 64 -16.212 -11.061 -11.967 421 HB2 ARG 64 HB2 ARG 64 -16.442 -11.372 -14.918 422 HB3 ARG 64 HB1 ARG 64 -17.840 -11.800 -13.941 423 HG2 ARG 64 HG2 ARG 64 -16.432 -9.141 -13.840 424 HG3 ARG 64 HG1 ARG 64 -17.892 -9.477 -14.774 425 HD2 ARG 64 HD2 ARG 64 -18.642 -10.380 -12.341 426 HD3 ARG 64 HD1 ARG 64 -17.538 -9.087 -11.874 427 HE ARG 64 HE ARG 64 -19.381 -8.227 -13.866 428 HH11 ARG 64 HH11 ARG 64 -19.074 -8.873 -10.450 429 HH12 ARG 64 HH12 ARG 64 -20.329 -7.768 -10.001 430 HH21 ARG 64 HH21 ARG 64 -21.033 -6.773 -13.277 431 HH22 ARG 64 HH22 ARG 64 -21.442 -6.576 -11.605 432 H GLY 65 HN GLY 65 -15.688 -12.852 -10.618 433 HA2 GLY 65 HA2 GLY 65 -17.067 -14.906 -10.154 434 HA3 GLY 65 HA1 GLY 65 -16.518 -15.458 -11.731 435 H ASP 66 HN ASP 66 -14.650 -16.531 -11.888 436 HA ASP 66 HA ASP 66 -12.411 -16.234 -10.287 437 HB2 ASP 66 HB2 ASP 66 -12.581 -18.372 -8.932 438 HB3 ASP 66 HB1 ASP 66 -13.603 -17.043 -8.392 439 H TRP 67 HN TRP 67 -11.424 -16.495 -12.249 440 HA TRP 67 HA TRP 67 -11.383 -19.241 -13.323 441 HB2 TRP 67 HB2 TRP 67 -10.416 -17.479 -15.308 442 HB3 TRP 67 HB1 TRP 67 -11.926 -18.381 -15.324 443 HD1 TRP 67 HD1 TRP 67 -10.666 -14.956 -13.934 444 HE1 TRP 67 HE1 TRP 67 -12.590 -13.283 -14.173 445 HE3 TRP 67 HE3 TRP 67 -14.230 -18.076 -15.843 446 HZ2 TRP 67 HZ2 TRP 67 -15.253 -13.267 -15.057 447 HZ3 TRP 67 HZ3 TRP 67 -16.450 -17.147 -16.369 448 HH2 TRP 67 HH2 TRP 67 -16.950 -14.787 -15.984 449 H ASN 68 HN ASN 68 -9.472 -16.305 -13.652 450 HA ASN 68 HA ASN 68 -7.022 -17.848 -13.171 451 HB2 ASN 68 HB2 ASN 68 -7.023 -15.045 -14.237 452 HB3 ASN 68 HB1 ASN 68 -5.872 -16.346 -14.530 453 HD21 ASN 68 HD21 ASN 68 -9.187 -15.313 -15.192 454 HD22 ASN 68 HD22 ASN 68 -9.314 -16.098 -16.725 455 H ASP 69 HN ASP 69 -8.932 -15.121 -12.140 456 HA ASP 69 HA ASP 69 -8.909 -13.831 -10.275 457 HB2 ASP 69 HB2 ASP 69 -7.417 -16.261 -9.405 458 HB3 ASP 69 HB1 ASP 69 -7.417 -14.853 -8.348 459 H ASP 70 HN ASP 70 -7.787 -12.146 -9.350 460 HA ASP 70 HA ASP 70 -5.211 -11.581 -10.574 461 HB2 ASP 70 HB2 ASP 70 -7.108 -9.885 -10.485 462 HB3 ASP 70 HB1 ASP 70 -6.811 -9.782 -8.754 463 H TYR 71 HN TYR 71 -3.344 -11.919 -9.542 464 HA TYR 71 HA TYR 71 -3.400 -11.966 -6.604 465 HB2 TYR 71 HB2 TYR 71 -2.384 -14.044 -8.491 466 HB3 TYR 71 HB1 TYR 71 -1.644 -13.860 -6.901 467 HD1 TYR 71 HD1 TYR 71 -3.111 -13.991 -4.887 468 HD2 TYR 71 HD2 TYR 71 -4.409 -15.183 -8.738 469 HE1 TYR 71 HE1 TYR 71 -4.912 -15.290 -3.849 470 HE2 TYR 71 HE2 TYR 71 -6.230 -16.484 -7.737 471 HH TYR 71 HH TYR 71 -7.501 -16.617 -5.687 472 H CYS 72 HN CYS 72 -1.597 -11.378 -5.516 473 HA CYS 72 HA CYS 72 0.133 -9.535 -6.827 474 HB2 CYS 72 HB2 CYS 72 -0.680 -9.471 -4.397 475 HB3 CYS 72 HB1 CYS 72 0.564 -10.676 -4.076 476 H THR 73 HN THR 73 2.532 -9.679 -6.637 477 HA THR 73 HA THR 73 3.422 -12.449 -7.089 478 HB THR 73 HB THR 73 4.876 -11.712 -8.799 479 HG1 THR 73 HG1 THR 73 4.310 -9.086 -7.897 480 HG21 THR 73 HG21 THR 73 3.403 -11.165 -10.399 481 HG22 THR 73 HG22 THR 73 2.778 -9.781 -9.500 482 HG23 THR 73 HG23 THR 73 2.216 -11.409 -9.115 483 H GLY 74 HN GLY 74 3.915 -9.551 -5.308 484 HA2 GLY 74 HA2 GLY 74 5.196 -9.311 -3.385 485 HA3 GLY 74 HA1 GLY 74 5.952 -10.858 -3.727 486 H LYS 75 HN LYS 75 5.953 -8.688 -6.363 487 HA LYS 75 HA LYS 75 8.665 -7.773 -5.685 488 HB2 LYS 75 HB2 LYS 75 8.016 -8.455 -8.520 489 HB3 LYS 75 HB1 LYS 75 9.573 -8.433 -7.705 490 HG2 LYS 75 HG2 LYS 75 9.421 -10.646 -7.644 491 HG3 LYS 75 HG1 LYS 75 8.201 -10.428 -6.389 492 HD2 LYS 75 HD2 LYS 75 6.577 -11.171 -7.727 493 HD3 LYS 75 HD1 LYS 75 7.074 -10.101 -9.037 494 HE2 LYS 75 HE2 LYS 75 9.047 -11.967 -9.096 495 HE3 LYS 75 HE1 LYS 75 7.672 -12.941 -8.579 496 HZ1 LYS 75 HZ1 LYS 75 6.588 -11.543 -10.574 497 HZ2 LYS 75 HZ2 LYS 75 7.300 -13.064 -10.776 498 HZ3 LYS 75 HZ3 LYS 75 8.182 -11.665 -11.131 499 H SER 76 HN SER 76 5.682 -6.725 -6.117 500 HA SER 76 HA SER 76 6.514 -4.105 -6.905 501 HB2 SER 76 HB2 SER 76 4.490 -5.384 -8.735 502 HB3 SER 76 HB1 SER 76 5.353 -3.862 -8.950 503 HG SER 76 HG SER 76 6.068 -5.925 -10.102 504 H SER 77 HN SER 77 4.574 -2.611 -7.083 505 HA SER 77 HA SER 77 2.788 -3.204 -4.861 506 HB2 SER 77 HB2 SER 77 2.125 -0.763 -5.206 507 HB3 SER 77 HB1 SER 77 3.792 -1.057 -4.711 508 HG SER 77 HG SER 77 4.488 -0.397 -6.608 509 H ASP 78 HN ASP 78 2.626 -4.110 -7.880 510 HA ASP 78 HA ASP 78 -0.206 -3.371 -8.225 511 HB2 ASP 78 HB2 ASP 78 0.118 -3.835 -10.634 512 HB3 ASP 78 HB1 ASP 78 1.171 -2.547 -10.055 513 H CYS 79 HN CYS 79 -1.678 -4.951 -8.852 514 HA CYS 79 HA CYS 79 -0.802 -7.736 -8.419 515 HB2 CYS 79 HB2 CYS 79 -2.616 -6.262 -6.918 516 HB3 CYS 79 HB1 CYS 79 -3.640 -7.240 -7.962 517 HA PRO 80 HA PRO 80 -2.323 -7.824 -12.715 518 HB2 PRO 80 HB2 PRO 80 -1.217 -10.223 -13.333 519 HB3 PRO 80 HB1 PRO 80 -0.297 -8.714 -13.330 520 HG2 PRO 80 HG2 PRO 80 -0.461 -10.836 -11.222 521 HG3 PRO 80 HG1 PRO 80 0.965 -9.979 -11.836 522 HD2 PRO 80 HD2 PRO 80 -0.231 -9.301 -9.512 523 HD3 PRO 80 HD1 PRO 80 0.540 -8.099 -10.566 524 H TRP 81 HN TRP 81 -4.103 -8.743 -13.599 525 HA TRP 81 HA TRP 81 -5.836 -10.309 -11.967 526 HB2 TRP 81 HB2 TRP 81 -6.480 -10.322 -14.819 527 HB3 TRP 81 HB1 TRP 81 -7.451 -9.799 -13.452 528 HD1 TRP 81 HD1 TRP 81 -4.929 -8.463 -16.023 529 HE1 TRP 81 HE1 TRP 81 -5.144 -5.896 -16.083 530 HE3 TRP 81 HE3 TRP 81 -8.086 -7.855 -12.092 531 HZ2 TRP 81 HZ2 TRP 81 -6.499 -3.881 -14.640 532 HZ3 TRP 81 HZ3 TRP 81 -8.819 -5.577 -11.483 533 HH2 TRP 81 HH2 TRP 81 -8.033 -3.628 -12.734 534 H ASN 82 HN ASN 82 -3.271 -11.155 -13.923 535 HA ASN 82 HA ASN 82 -2.428 -13.151 -14.637 536 HB2 ASN 82 HB2 ASN 82 -4.610 -14.140 -12.807 537 HB3 ASN 82 HB1 ASN 82 -3.639 -15.259 -13.758 538 HD21 ASN 82 HD21 ASN 82 -3.752 -13.191 -11.029 539 HD22 ASN 82 HD22 ASN 82 -2.177 -13.547 -10.414 540 H HIS 83 HN HIS 83 -4.578 -11.632 -15.997 541 HA HIS 83 HA HIS 83 -5.970 -13.726 -17.493 542 HB2 HIS 83 HB2 HIS 83 -6.325 -10.717 -17.473 543 HB3 HIS 83 HB1 HIS 83 -7.293 -11.841 -18.428 544 HD1 HIS 83 HD1 HIS 83 -8.410 -9.942 -16.142 545 HD2 HIS 83 HD2 HIS 83 -7.541 -13.984 -15.767 546 HE1 HIS 83 HE1 HIS 83 -9.765 -10.745 -14.182 547 HE2 HIS 83 HE2 HIS 83 -9.167 -13.175 -13.927 Start of MODEL 11 1 H1 SER 1 HT1 SER 1 -4.899 17.595 20.788 2 H2 SER 1 HT2 SER 1 -4.182 16.091 20.378 3 H3 SER 1 HT3 SER 1 -5.866 16.183 20.696 4 HA SER 1 HA SER 1 -5.671 16.047 18.418 5 HB2 SER 1 HB2 SER 1 -7.107 17.896 19.524 6 HB3 SER 1 HB1 SER 1 -5.885 19.011 18.914 7 HG SER 1 HG SER 1 -7.219 17.134 17.267 8 HA PRO 2 HA PRO 2 -1.324 17.377 17.576 9 HB2 PRO 2 HB2 PRO 2 -0.689 15.231 16.053 10 HB3 PRO 2 HB1 PRO 2 -0.589 15.211 17.817 11 HG2 PRO 2 HG2 PRO 2 -2.751 14.157 16.032 12 HG3 PRO 2 HG1 PRO 2 -2.019 13.408 17.463 13 HD2 PRO 2 HD2 PRO 2 -4.409 14.678 17.544 14 HD3 PRO 2 HD1 PRO 2 -3.291 14.659 18.923 15 HA PRO 3 HA PRO 3 -2.307 18.980 13.555 16 HB2 PRO 3 HB2 PRO 3 0.088 19.897 12.801 17 HB3 PRO 3 HB1 PRO 3 -0.794 20.628 14.148 18 HG2 PRO 3 HG2 PRO 3 1.478 18.682 14.204 19 HG3 PRO 3 HG1 PRO 3 1.201 20.109 15.219 20 HD2 PRO 3 HD2 PRO 3 0.636 17.530 15.990 21 HD3 PRO 3 HD1 PRO 3 -0.167 18.966 16.653 22 H VAL 4 HN VAL 4 -2.670 18.072 11.707 23 HA VAL 4 HA VAL 4 -1.601 15.653 10.902 24 HB VAL 4 HB VAL 4 -2.619 17.363 8.741 25 HG11 VAL 4 HG11 VAL 4 -4.269 15.349 8.716 26 HG12 VAL 4 HG12 VAL 4 -3.108 14.632 9.831 27 HG13 VAL 4 HG13 VAL 4 -2.595 15.123 8.221 28 HG21 VAL 4 HG21 VAL 4 -5.001 17.124 9.664 29 HG22 VAL 4 HG22 VAL 4 -3.997 18.429 10.294 30 HG23 VAL 4 HG23 VAL 4 -4.226 16.957 11.239 31 H CYS 5 HN CYS 5 0.644 15.767 10.906 32 HA CYS 5 HA CYS 5 2.103 17.800 9.565 33 HB2 CYS 5 HB2 CYS 5 3.635 15.355 9.633 34 HB3 CYS 5 HB1 CYS 5 3.892 16.842 10.526 35 H GLY 6 HN GLY 6 1.496 18.112 7.510 36 HA2 GLY 6 HA2 GLY 6 2.026 17.689 5.229 37 HA3 GLY 6 HA1 GLY 6 2.147 15.976 5.607 38 H ASN 7 HN ASN 7 -0.546 17.518 7.017 39 HA ASN 7 HA ASN 7 -2.789 17.400 6.657 40 HB2 ASN 7 HB2 ASN 7 -1.671 17.735 3.931 41 HB3 ASN 7 HB1 ASN 7 -3.318 17.112 4.012 42 HD21 ASN 7 HD21 ASN 7 -1.227 19.744 5.065 43 HD22 ASN 7 HD22 ASN 7 -2.477 20.931 5.186 44 H LYS 8 HN LYS 8 -4.260 15.777 6.818 45 HA LYS 8 HA LYS 8 -3.527 13.135 6.918 46 HB2 LYS 8 HB2 LYS 8 -5.777 14.372 7.560 47 HB3 LYS 8 HB1 LYS 8 -6.296 13.785 5.985 48 HG2 LYS 8 HG2 LYS 8 -5.035 11.832 7.822 49 HG3 LYS 8 HG1 LYS 8 -6.661 12.397 8.210 50 HD2 LYS 8 HD2 LYS 8 -5.926 11.368 5.482 51 HD3 LYS 8 HD1 LYS 8 -6.475 10.300 6.775 52 HE2 LYS 8 HE2 LYS 8 -8.562 11.507 6.936 53 HE3 LYS 8 HE1 LYS 8 -8.008 12.685 5.747 54 HZ1 LYS 8 HZ1 LYS 8 -9.138 11.349 4.354 55 HZ2 LYS 8 HZ2 LYS 8 -9.021 9.991 5.356 56 HZ3 LYS 8 HZ3 LYS 8 -7.716 10.431 4.373 57 H ILE 9 HN ILE 9 -2.414 12.196 5.285 58 HA ILE 9 HA ILE 9 -2.469 12.746 2.635 59 HB ILE 9 HB ILE 9 -1.779 10.527 2.037 60 HG12 ILE 9 HG12 ILE 9 -3.452 9.629 4.035 61 HG13 ILE 9 HG11 ILE 9 -2.309 8.650 3.121 62 HG21 ILE 9 HG21 ILE 9 0.099 10.282 3.720 63 HG22 ILE 9 HG22 ILE 9 -0.623 11.661 4.541 64 HG23 ILE 9 HG23 ILE 9 -0.053 11.825 2.881 65 HD11 ILE 9 HD11 ILE 9 -2.053 8.194 5.451 66 HD12 ILE 9 HD12 ILE 9 -1.861 9.907 5.814 67 HD13 ILE 9 HD13 ILE 9 -0.625 9.059 4.882 68 H LEU 10 HN LEU 10 -3.480 12.101 0.810 69 HA LEU 10 HA LEU 10 -6.270 11.312 1.195 70 HB2 LEU 10 HB2 LEU 10 -6.482 12.277 -1.155 71 HB3 LEU 10 HB1 LEU 10 -6.144 13.408 0.147 72 HG LEU 10 HG LEU 10 -3.854 12.283 -1.403 73 HD11 LEU 10 HD11 LEU 10 -5.916 13.383 -2.787 74 HD12 LEU 10 HD12 LEU 10 -4.226 13.417 -3.290 75 HD13 LEU 10 HD13 LEU 10 -4.922 14.799 -2.444 76 HD21 LEU 10 HD21 LEU 10 -3.631 15.045 -0.899 77 HD22 LEU 10 HD22 LEU 10 -2.772 13.723 -0.108 78 HD23 LEU 10 HD23 LEU 10 -4.289 14.317 0.568 79 H GLU 11 HN GLU 11 -3.795 9.564 0.935 80 HA GLU 11 HA GLU 11 -4.787 7.322 -0.180 81 HB2 GLU 11 HB2 GLU 11 -3.630 7.321 -2.475 82 HB3 GLU 11 HB1 GLU 11 -5.160 8.171 -2.321 83 HG2 GLU 11 HG2 GLU 11 -3.290 10.111 -1.742 84 HG3 GLU 11 HG1 GLU 11 -2.527 9.169 -3.020 85 H GLN 12 HN GLN 12 -2.040 9.309 0.404 86 HA GLN 12 HA GLN 12 0.028 7.572 -0.217 87 HB2 GLN 12 HB2 GLN 12 0.143 9.410 2.144 88 HB3 GLN 12 HB1 GLN 12 1.433 8.951 1.062 89 HG2 GLN 12 HG2 GLN 12 -0.904 10.708 0.347 90 HG3 GLN 12 HG1 GLN 12 0.718 11.267 0.749 91 HE21 GLN 12 HE21 GLN 12 -1.172 9.434 -1.581 92 HE22 GLN 12 HE22 GLN 12 -0.084 9.640 -2.905 93 H GLY 13 HN GLY 13 -0.434 8.266 3.202 94 HA2 GLY 13 HA2 GLY 13 -0.703 6.847 5.015 95 HA3 GLY 13 HA1 GLY 13 -1.061 5.541 3.889 96 H GLU 14 HN GLU 14 1.711 7.281 3.134 97 HA GLU 14 HA GLU 14 3.809 6.519 4.601 98 HB2 GLU 14 HB2 GLU 14 2.624 4.139 3.393 99 HB3 GLU 14 HB1 GLU 14 4.315 4.339 2.963 100 HG2 GLU 14 HG2 GLU 14 4.884 4.495 5.343 101 HG3 GLU 14 HG1 GLU 14 3.192 4.218 5.748 102 H ASP 15 HN ASP 15 2.386 6.997 1.552 103 HA ASP 15 HA ASP 15 4.610 7.019 -0.136 104 HB2 ASP 15 HB2 ASP 15 1.984 7.377 -0.499 105 HB3 ASP 15 HB1 ASP 15 2.489 9.061 -0.509 106 H CYS 16 HN CYS 16 3.065 9.714 1.589 107 HA CYS 16 HA CYS 16 5.309 10.952 2.536 108 HB2 CYS 16 HB2 CYS 16 6.364 11.484 0.593 109 HB3 CYS 16 HB1 CYS 16 4.884 11.425 -0.352 110 H ASP 17 HN ASP 17 4.693 12.516 3.864 111 HA ASP 17 HA ASP 17 3.512 14.178 4.855 112 HB2 ASP 17 HB2 ASP 17 2.628 14.363 2.094 113 HB3 ASP 17 HB1 ASP 17 1.329 14.769 3.208 114 H CYS 18 HN CYS 18 3.066 11.567 5.528 115 HA CYS 18 HA CYS 18 0.661 10.387 5.490 116 HB2 CYS 18 HB2 CYS 18 2.848 10.164 7.138 117 HB3 CYS 18 HB1 CYS 18 1.566 10.614 8.265 118 H GLY 19 HN GLY 19 1.387 13.375 7.173 119 HA2 GLY 19 HA2 GLY 19 -0.023 14.952 8.083 120 HA3 GLY 19 HA1 GLY 19 -1.314 14.169 7.193 121 H SER 20 HN SER 20 -2.008 11.989 8.186 122 HA SER 20 HA SER 20 -3.143 12.476 10.632 123 HB2 SER 20 HB2 SER 20 -3.831 10.230 10.676 124 HB3 SER 20 HB1 SER 20 -3.698 10.634 8.966 125 HG SER 20 HG SER 20 -1.797 9.508 8.851 126 HA PRO 21 HA PRO 21 0.614 12.543 13.068 127 HB2 PRO 21 HB2 PRO 21 -1.470 12.922 15.161 128 HB3 PRO 21 HB1 PRO 21 0.008 13.844 14.859 129 HG2 PRO 21 HG2 PRO 21 -2.369 14.830 14.168 130 HG3 PRO 21 HG1 PRO 21 -0.947 15.069 13.136 131 HD2 PRO 21 HD2 PRO 21 -3.241 13.187 12.794 132 HD3 PRO 21 HD1 PRO 21 -2.337 14.085 11.561 133 H ALA 22 HN ALA 22 -2.213 10.543 13.453 134 HA ALA 22 HA ALA 22 -1.370 8.929 15.586 135 HB1 ALA 22 HB1 ALA 22 -3.116 7.533 15.051 136 HB2 ALA 22 HB2 ALA 22 -2.884 7.729 13.314 137 HB3 ALA 22 HB3 ALA 22 -3.633 9.019 14.255 138 H ASN 23 HN ASN 23 -0.255 9.199 12.357 139 HA ASN 23 HA ASN 23 1.471 6.845 12.728 140 HB2 ASN 23 HB2 ASN 23 0.461 7.834 10.057 141 HB3 ASN 23 HB1 ASN 23 1.305 6.324 10.400 142 HD21 ASN 23 HD21 ASN 23 -0.136 5.631 12.738 143 HD22 ASN 23 HD22 ASN 23 -1.737 5.195 12.258 144 H CYS 24 HN CYS 24 1.477 10.089 12.716 145 HA CYS 24 HA CYS 24 3.630 10.703 10.951 146 HB2 CYS 24 HB2 CYS 24 1.912 12.346 11.686 147 HB3 CYS 24 HB1 CYS 24 2.581 12.283 13.310 148 H GLN 25 HN GLN 25 5.415 9.483 11.358 149 HA GLN 25 HA GLN 25 7.354 8.829 12.345 150 HB2 GLN 25 HB2 GLN 25 6.800 11.448 13.683 151 HB3 GLN 25 HB1 GLN 25 8.138 10.458 14.249 152 HG2 GLN 25 HG2 GLN 25 7.909 11.035 11.340 153 HG3 GLN 25 HG1 GLN 25 8.487 12.301 12.422 154 HE21 GLN 25 HE21 GLN 25 10.073 11.271 10.424 155 HE22 GLN 25 HE22 GLN 25 11.374 10.378 11.127 156 H ASP 26 HN ASP 26 5.766 7.080 13.116 157 HA ASP 26 HA ASP 26 6.469 6.289 15.694 158 HB2 ASP 26 HB2 ASP 26 4.611 8.247 15.932 159 HB3 ASP 26 HB1 ASP 26 3.565 6.833 15.837 160 H ARG 27 HN ARG 27 4.041 6.119 13.143 161 HA ARG 27 HA ARG 27 3.442 3.354 13.793 162 HB2 ARG 27 HB2 ARG 27 1.581 4.761 13.168 163 HB3 ARG 27 HB1 ARG 27 2.361 5.189 11.653 164 HG2 ARG 27 HG2 ARG 27 1.160 3.554 10.743 165 HG3 ARG 27 HG1 ARG 27 2.264 2.439 11.550 166 HD2 ARG 27 HD2 ARG 27 -0.232 3.521 12.839 167 HD3 ARG 27 HD1 ARG 27 -0.190 2.012 11.928 168 HE ARG 27 HE ARG 27 0.700 2.412 14.593 169 HH11 ARG 27 HH11 ARG 27 1.417 0.632 11.679 170 HH12 ARG 27 HH12 ARG 27 2.178 -0.678 12.517 171 HH21 ARG 27 HH21 ARG 27 1.701 0.690 15.698 172 HH22 ARG 27 HH22 ARG 27 2.339 -0.646 14.799 173 H CYS 28 HN CYS 28 3.680 4.475 10.468 174 HA CYS 28 HA CYS 28 6.157 3.073 9.992 175 HB2 CYS 28 HB2 CYS 28 4.337 1.304 10.033 176 HB3 CYS 28 HB1 CYS 28 3.673 2.073 8.597 177 H CYS 29 HN CYS 29 4.876 5.757 9.613 178 HA CYS 29 HA CYS 29 5.696 6.107 6.822 179 HB2 CYS 29 HB2 CYS 29 3.752 7.494 6.315 180 HB3 CYS 29 HB1 CYS 29 3.249 5.868 6.764 181 H ASN 30 HN ASN 30 5.948 8.408 6.261 182 HA ASN 30 HA ASN 30 6.903 9.930 8.591 183 HB2 ASN 30 HB2 ASN 30 7.970 9.610 5.812 184 HB3 ASN 30 HB1 ASN 30 8.306 11.075 6.710 185 HD21 ASN 30 HD21 ASN 30 8.607 10.086 9.263 186 HD22 ASN 30 HD22 ASN 30 9.991 9.055 9.321 187 H ALA 31 HN ALA 31 5.132 11.089 9.033 188 HA ALA 31 HA ALA 31 3.749 12.593 6.981 189 HB1 ALA 31 HB1 ALA 31 2.894 13.632 9.380 190 HB2 ALA 31 HB2 ALA 31 3.304 11.975 9.802 191 HB3 ALA 31 HB3 ALA 31 2.139 12.293 8.526 192 H ALA 32 HN ALA 32 6.356 12.941 9.171 193 HA ALA 32 HA ALA 32 6.507 15.844 8.711 194 HB1 ALA 32 HB1 ALA 32 6.636 14.784 11.061 195 HB2 ALA 32 HB2 ALA 32 7.821 16.017 10.629 196 HB3 ALA 32 HB3 ALA 32 8.269 14.311 10.590 197 H THR 33 HN THR 33 7.553 13.032 7.362 198 HA THR 33 HA THR 33 10.030 14.277 6.413 199 HB THR 33 HB THR 33 10.103 11.380 6.327 200 HG1 THR 33 HG1 THR 33 8.823 11.816 8.296 201 HG21 THR 33 HG21 THR 33 12.228 11.615 7.208 202 HG22 THR 33 HG22 THR 33 11.848 13.175 7.939 203 HG23 THR 33 HG23 THR 33 12.011 13.035 6.187 204 H CYS 34 HN CYS 34 7.077 13.617 5.433 205 HA CYS 34 HA CYS 34 6.068 13.027 3.478 206 HB2 CYS 34 HB2 CYS 34 6.783 15.146 2.820 207 HB3 CYS 34 HB1 CYS 34 8.465 14.649 2.700 208 H LYS 35 HN LYS 35 7.020 10.724 4.293 209 HA LYS 35 HA LYS 35 7.512 9.296 1.899 210 HB2 LYS 35 HB2 LYS 35 9.820 10.394 2.929 211 HB3 LYS 35 HB1 LYS 35 9.836 8.760 3.576 212 HG2 LYS 35 HG2 LYS 35 11.037 8.709 1.540 213 HG3 LYS 35 HG1 LYS 35 9.484 7.929 1.237 214 HD2 LYS 35 HD2 LYS 35 9.920 9.355 -0.614 215 HD3 LYS 35 HD1 LYS 35 8.665 10.134 0.351 216 HE2 LYS 35 HE2 LYS 35 10.433 11.516 1.423 217 HE3 LYS 35 HE1 LYS 35 11.605 10.802 0.316 218 HZ1 LYS 35 HZ1 LYS 35 10.662 11.864 -1.495 219 HZ2 LYS 35 HZ2 LYS 35 10.559 13.044 -0.288 220 HZ3 LYS 35 HZ3 LYS 35 9.189 12.147 -0.712 221 H LEU 36 HN LEU 36 8.393 6.969 2.526 222 HA LEU 36 HA LEU 36 6.610 6.017 4.637 223 HB2 LEU 36 HB2 LEU 36 7.086 3.772 3.703 224 HB3 LEU 36 HB1 LEU 36 6.397 4.876 2.528 225 HG LEU 36 HG LEU 36 9.276 4.987 2.415 226 HD11 LEU 36 HD11 LEU 36 9.456 2.784 3.174 227 HD12 LEU 36 HD12 LEU 36 9.471 2.643 1.416 228 HD13 LEU 36 HD13 LEU 36 8.001 2.273 2.317 229 HD21 LEU 36 HD21 LEU 36 7.507 5.627 0.697 230 HD22 LEU 36 HD22 LEU 36 7.391 3.902 0.343 231 HD23 LEU 36 HD23 LEU 36 8.919 4.750 0.107 232 H THR 37 HN THR 37 7.350 4.784 6.403 233 HA THR 37 HA THR 37 9.907 5.496 7.370 234 HB THR 37 HB THR 37 9.410 3.808 9.182 235 HG1 THR 37 HG1 THR 37 7.846 2.476 8.880 236 HG21 THR 37 HG21 THR 37 7.193 5.046 9.847 237 HG22 THR 37 HG22 THR 37 7.672 6.116 8.528 238 HG23 THR 37 HG23 THR 37 8.759 5.854 9.893 239 HA PRO 38 HA PRO 38 12.896 2.622 5.946 240 HB2 PRO 38 HB2 PRO 38 13.249 2.051 8.867 241 HB3 PRO 38 HB1 PRO 38 14.479 2.358 7.632 242 HG2 PRO 38 HG2 PRO 38 13.812 4.278 9.315 243 HG3 PRO 38 HG1 PRO 38 14.039 4.652 7.595 244 HD2 PRO 38 HD2 PRO 38 11.515 4.393 9.162 245 HD3 PRO 38 HD1 PRO 38 11.899 5.475 7.808 246 H GLY 39 HN GLY 39 13.018 0.477 5.432 247 HA2 GLY 39 HA2 GLY 39 12.688 -1.834 5.741 248 HA3 GLY 39 HA1 GLY 39 11.583 -1.478 7.059 249 H SER 40 HN SER 40 9.887 0.335 5.706 250 HA SER 40 HA SER 40 8.018 -1.382 4.588 251 HB2 SER 40 HB2 SER 40 7.257 0.722 5.387 252 HB3 SER 40 HB1 SER 40 8.368 1.605 4.341 253 HG SER 40 HG SER 40 5.924 0.417 3.751 254 H GLN 41 HN GLN 41 7.889 -2.387 2.699 255 HA GLN 41 HA GLN 41 9.838 -1.964 0.657 256 HB2 GLN 41 HB2 GLN 41 7.612 -3.841 1.153 257 HB3 GLN 41 HB1 GLN 41 7.978 -3.548 -0.541 258 HG2 GLN 41 HG2 GLN 41 10.265 -4.125 1.242 259 HG3 GLN 41 HG1 GLN 41 9.158 -5.453 0.896 260 HE21 GLN 41 HE21 GLN 41 10.191 -2.761 -1.147 261 HE22 GLN 41 HE22 GLN 41 10.893 -3.738 -2.386 262 H CYS 42 HN CYS 42 6.412 -1.200 1.025 263 HA CYS 42 HA CYS 42 6.664 0.698 -1.197 264 HB2 CYS 42 HB2 CYS 42 4.399 0.003 -2.008 265 HB3 CYS 42 HB1 CYS 42 5.656 -1.207 -2.242 266 H ASN 43 HN ASN 43 5.266 2.453 -1.114 267 HA ASN 43 HA ASN 43 4.547 3.269 1.518 268 HB2 ASN 43 HB2 ASN 43 3.535 5.254 0.248 269 HB3 ASN 43 HB1 ASN 43 5.272 5.009 0.100 270 HD21 ASN 43 HD21 ASN 43 5.836 5.597 -1.866 271 HD22 ASN 43 HD22 ASN 43 5.044 5.136 -3.331 272 H TYR 44 HN TYR 44 2.839 2.051 -1.270 273 HA TYR 44 HA TYR 44 0.683 1.013 0.142 274 HB2 TYR 44 HB2 TYR 44 -1.135 2.538 -0.330 275 HB3 TYR 44 HB1 TYR 44 0.112 3.401 0.559 276 HD1 TYR 44 HD2 TYR 44 -1.041 2.761 -2.928 277 HD2 TYR 44 HD1 TYR 44 0.847 5.460 -0.237 278 HE1 TYR 44 HE2 TYR 44 -0.994 4.470 -4.686 279 HE2 TYR 44 HE1 TYR 44 0.898 7.177 -1.976 280 HH TYR 44 HH TYR 44 0.688 6.701 -5.045 281 H GLY 45 HN GLY 45 -1.226 0.519 -1.408 282 HA2 GLY 45 HA2 GLY 45 -1.528 0.594 -3.989 283 HA3 GLY 45 HA1 GLY 45 -0.011 -0.291 -3.955 284 H GLU 46 HN GLU 46 -1.966 -1.520 -5.208 285 HA GLU 46 HA GLU 46 -3.833 -3.020 -3.830 286 HB2 GLU 46 HB2 GLU 46 -2.306 -3.431 -6.364 287 HB3 GLU 46 HB1 GLU 46 -3.280 -4.755 -5.741 288 HG2 GLU 46 HG2 GLU 46 -4.978 -3.848 -6.841 289 HG3 GLU 46 HG1 GLU 46 -4.985 -2.600 -5.595 290 H CYS 47 HN CYS 47 -0.434 -3.769 -4.450 291 HA CYS 47 HA CYS 47 -0.591 -6.276 -3.010 292 HB2 CYS 47 HB2 CYS 47 1.452 -4.846 -4.628 293 HB3 CYS 47 HB1 CYS 47 2.031 -6.002 -3.435 294 H CYS 48 HN CYS 48 0.155 -2.995 -2.292 295 HA CYS 48 HA CYS 48 1.970 -3.406 -0.179 296 HB2 CYS 48 HB2 CYS 48 0.984 -1.216 -1.484 297 HB3 CYS 48 HB1 CYS 48 0.221 -1.068 0.096 298 H ASP 49 HN ASP 49 1.745 -3.938 1.863 299 HA ASP 49 HA ASP 49 -0.884 -3.824 3.136 300 HB2 ASP 49 HB2 ASP 49 -0.074 -6.191 2.124 301 HB3 ASP 49 HB1 ASP 49 0.707 -6.265 3.700 302 H GLN 50 HN GLN 50 -0.411 -2.362 4.663 303 HA GLN 50 HA GLN 50 0.440 -1.477 6.574 304 HB2 GLN 50 HB2 GLN 50 1.880 -4.126 6.824 305 HB3 GLN 50 HB1 GLN 50 1.765 -2.908 8.085 306 HG2 GLN 50 HG2 GLN 50 -0.804 -3.194 7.717 307 HG3 GLN 50 HG1 GLN 50 -0.324 -4.743 7.025 308 HE21 GLN 50 HE21 GLN 50 0.633 -2.781 9.829 309 HE22 GLN 50 HE22 GLN 50 0.527 -4.066 10.978 310 H CYS 51 HN CYS 51 3.265 -3.443 5.659 311 HA CYS 51 HA CYS 51 4.646 -1.127 4.610 312 HB2 CYS 51 HB2 CYS 51 5.970 -2.570 6.896 313 HB3 CYS 51 HB1 CYS 51 6.397 -1.021 6.183 314 H ARG 52 HN ARG 52 3.779 -3.764 3.659 315 HA ARG 52 HA ARG 52 6.232 -4.531 2.376 316 HB2 ARG 52 HB2 ARG 52 6.025 -5.756 4.695 317 HB3 ARG 52 HB1 ARG 52 4.888 -6.776 3.825 318 HG2 ARG 52 HG2 ARG 52 7.027 -7.822 3.764 319 HG3 ARG 52 HG1 ARG 52 6.667 -7.221 2.145 320 HD2 ARG 52 HD2 ARG 52 8.979 -6.756 2.752 321 HD3 ARG 52 HD1 ARG 52 8.066 -5.261 2.559 322 HE ARG 52 HE ARG 52 7.933 -5.891 5.239 323 HH11 ARG 52 HH11 ARG 52 10.447 -5.195 2.921 324 HH12 ARG 52 HH12 ARG 52 11.518 -4.514 4.099 325 HH21 ARG 52 HH21 ARG 52 9.340 -4.996 6.790 326 HH22 ARG 52 HH22 ARG 52 10.890 -4.402 6.296 327 H PHE 53 HN PHE 53 5.894 -6.140 0.678 328 HA PHE 53 HA PHE 53 3.410 -5.709 -0.665 329 HB2 PHE 53 HB2 PHE 53 5.833 -7.388 -1.297 330 HB3 PHE 53 HB1 PHE 53 4.396 -7.411 -2.316 331 HD1 PHE 53 HD1 PHE 53 3.630 -4.542 -2.169 332 HD2 PHE 53 HD2 PHE 53 7.423 -6.399 -2.683 333 HE1 PHE 53 HE1 PHE 53 4.435 -2.555 -3.355 334 HE2 PHE 53 HE2 PHE 53 8.239 -4.407 -3.875 335 HZ PHE 53 HZ PHE 53 6.743 -2.479 -4.214 336 H LYS 54 HN LYS 54 1.868 -7.250 -1.287 337 HA LYS 54 HA LYS 54 1.267 -9.172 0.748 338 HB2 LYS 54 HB2 LYS 54 -0.042 -8.155 -1.708 339 HB3 LYS 54 HB1 LYS 54 -0.486 -9.783 -1.215 340 HG2 LYS 54 HG2 LYS 54 -1.630 -9.072 0.587 341 HG3 LYS 54 HG1 LYS 54 -0.497 -7.763 0.924 342 HD2 LYS 54 HD2 LYS 54 -1.600 -6.919 -1.412 343 HD3 LYS 54 HD1 LYS 54 -2.962 -7.768 -0.677 344 HE2 LYS 54 HE2 LYS 54 -2.733 -6.429 1.339 345 HE3 LYS 54 HE1 LYS 54 -1.325 -5.615 0.658 346 HZ1 LYS 54 HZ1 LYS 54 -3.706 -4.563 0.519 347 HZ2 LYS 54 HZ2 LYS 54 -3.830 -5.541 -0.856 348 HZ3 LYS 54 HZ3 LYS 54 -2.600 -4.385 -0.750 349 H LYS 55 HN LYS 55 2.534 -10.926 0.873 350 HA LYS 55 HA LYS 55 4.177 -12.166 -0.783 351 HB2 LYS 55 HB2 LYS 55 3.651 -12.993 1.472 352 HB3 LYS 55 HB1 LYS 55 2.133 -13.649 0.877 353 HG2 LYS 55 HG2 LYS 55 3.443 -15.519 0.856 354 HG3 LYS 55 HG1 LYS 55 3.693 -14.932 -0.789 355 HD2 LYS 55 HD2 LYS 55 5.846 -14.309 -0.386 356 HD3 LYS 55 HD1 LYS 55 5.530 -13.922 1.307 357 HE2 LYS 55 HE2 LYS 55 6.944 -15.844 1.251 358 HE3 LYS 55 HE1 LYS 55 5.338 -16.372 1.750 359 HZ1 LYS 55 HZ1 LYS 55 6.715 -17.605 -0.122 360 HZ2 LYS 55 HZ2 LYS 55 5.940 -16.466 -1.103 361 HZ3 LYS 55 HZ3 LYS 55 5.025 -17.527 -0.155 362 H ALA 56 HN ALA 56 4.201 -13.092 -2.724 363 HA ALA 56 HA ALA 56 2.256 -13.004 -4.575 364 HB1 ALA 56 HB1 ALA 56 4.264 -13.672 -5.458 365 HB2 ALA 56 HB2 ALA 56 3.349 -15.179 -5.521 366 HB3 ALA 56 HB3 ALA 56 4.518 -14.909 -4.226 367 H GLY 57 HN GLY 57 0.435 -14.028 -5.086 368 HA2 GLY 57 HA2 GLY 57 -0.876 -16.101 -5.130 369 HA3 GLY 57 HA1 GLY 57 -0.250 -16.448 -3.521 370 H THR 58 HN THR 58 -0.631 -13.345 -3.182 371 HA THR 58 HA THR 58 -3.204 -13.574 -1.909 372 HB THR 58 HB THR 58 -1.372 -11.185 -2.261 373 HG1 THR 58 HG1 THR 58 -0.856 -11.651 -0.068 374 HG21 THR 58 HG21 THR 58 -3.063 -11.097 0.052 375 HG22 THR 58 HG22 THR 58 -4.029 -11.213 -1.422 376 HG23 THR 58 HG23 THR 58 -2.851 -9.909 -1.236 377 H VAL 59 HN VAL 59 -5.075 -13.270 -2.953 378 HA VAL 59 HA VAL 59 -5.101 -12.154 -5.589 379 HB VAL 59 HB VAL 59 -6.596 -14.009 -5.040 380 HG11 VAL 59 HG11 VAL 59 -8.041 -14.054 -3.316 381 HG12 VAL 59 HG12 VAL 59 -8.482 -12.357 -3.503 382 HG13 VAL 59 HG13 VAL 59 -6.995 -12.794 -2.662 383 HG21 VAL 59 HG21 VAL 59 -8.626 -11.947 -5.482 384 HG22 VAL 59 HG22 VAL 59 -8.158 -13.316 -6.491 385 HG23 VAL 59 HG23 VAL 59 -7.223 -11.822 -6.543 386 H CYS 60 HN CYS 60 -5.158 -10.053 -6.023 387 HA CYS 60 HA CYS 60 -6.288 -8.224 -4.027 388 HB2 CYS 60 HB2 CYS 60 -4.687 -7.473 -6.466 389 HB3 CYS 60 HB1 CYS 60 -5.049 -6.466 -5.071 390 H ARG 61 HN ARG 61 -6.778 -9.431 -7.240 391 HA ARG 61 HA ARG 61 -9.280 -7.940 -7.417 392 HB2 ARG 61 HB2 ARG 61 -7.015 -7.093 -8.812 393 HB3 ARG 61 HB1 ARG 61 -7.965 -7.962 -10.009 394 HG2 ARG 61 HG2 ARG 61 -9.911 -6.490 -8.956 395 HG3 ARG 61 HG1 ARG 61 -8.551 -5.435 -8.582 396 HD2 ARG 61 HD2 ARG 61 -9.722 -6.185 -11.204 397 HD3 ARG 61 HD1 ARG 61 -9.098 -4.635 -10.650 398 HE ARG 61 HE ARG 61 -7.707 -6.517 -12.190 399 HH11 ARG 61 HH11 ARG 61 -7.198 -4.420 -9.442 400 HH12 ARG 61 HH12 ARG 61 -5.489 -4.310 -9.690 401 HH21 ARG 61 HH21 ARG 61 -5.464 -6.374 -12.511 402 HH22 ARG 61 HH22 ARG 61 -4.504 -5.415 -11.434 403 H ILE 62 HN ILE 62 -10.288 -8.612 -9.723 404 HA ILE 62 HA ILE 62 -9.806 -11.131 -10.792 405 HB ILE 62 HB ILE 62 -10.423 -12.061 -8.643 406 HG12 ILE 62 HG12 ILE 62 -12.345 -13.480 -9.348 407 HG13 ILE 62 HG11 ILE 62 -12.592 -12.408 -10.722 408 HG21 ILE 62 HG21 ILE 62 -12.298 -11.532 -7.429 409 HG22 ILE 62 HG22 ILE 62 -13.195 -10.994 -8.851 410 HG23 ILE 62 HG23 ILE 62 -11.927 -9.974 -8.170 411 HD11 ILE 62 HD11 ILE 62 -10.254 -14.210 -10.187 412 HD12 ILE 62 HD12 ILE 62 -10.249 -12.963 -11.434 413 HD13 ILE 62 HD13 ILE 62 -11.411 -14.288 -11.515 414 H ALA 63 HN ALA 63 -10.961 -11.354 -12.605 415 HA ALA 63 HA ALA 63 -12.532 -9.208 -13.501 416 HB1 ALA 63 HB1 ALA 63 -13.086 -11.390 -15.177 417 HB2 ALA 63 HB2 ALA 63 -11.419 -11.583 -14.633 418 HB3 ALA 63 HB3 ALA 63 -11.921 -10.094 -15.429 419 H ARG 64 HN ARG 64 -14.008 -12.341 -14.030 420 HA ARG 64 HA ARG 64 -16.138 -11.720 -12.133 421 HB2 ARG 64 HB2 ARG 64 -16.408 -11.762 -15.096 422 HB3 ARG 64 HB1 ARG 64 -17.714 -12.464 -14.151 423 HG2 ARG 64 HG2 ARG 64 -18.459 -10.323 -14.319 424 HG3 ARG 64 HG1 ARG 64 -17.523 -10.194 -12.829 425 HD2 ARG 64 HD2 ARG 64 -16.574 -8.440 -13.871 426 HD3 ARG 64 HD1 ARG 64 -15.605 -9.684 -14.660 427 HE ARG 64 HE ARG 64 -16.616 -9.137 -16.625 428 HH11 ARG 64 HH11 ARG 64 -18.653 -8.041 -14.012 429 HH12 ARG 64 HH12 ARG 64 -19.784 -7.252 -15.058 430 HH21 ARG 64 HH21 ARG 64 -18.104 -8.099 -18.003 431 HH22 ARG 64 HH22 ARG 64 -19.473 -7.285 -17.324 432 H GLY 65 HN GLY 65 -15.357 -13.559 -10.980 433 HA2 GLY 65 HA2 GLY 65 -16.442 -15.802 -10.688 434 HA3 GLY 65 HA1 GLY 65 -15.914 -16.122 -12.335 435 H ASP 66 HN ASP 66 -13.950 -16.940 -12.677 436 HA ASP 66 HA ASP 66 -11.677 -16.548 -11.145 437 HB2 ASP 66 HB2 ASP 66 -11.529 -18.813 -10.020 438 HB3 ASP 66 HB1 ASP 66 -12.678 -17.687 -9.305 439 H TRP 67 HN TRP 67 -10.740 -16.492 -13.133 440 HA TRP 67 HA TRP 67 -10.478 -19.074 -14.534 441 HB2 TRP 67 HB2 TRP 67 -9.778 -17.006 -16.322 442 HB3 TRP 67 HB1 TRP 67 -11.199 -18.040 -16.390 443 HD1 TRP 67 HD1 TRP 67 -10.211 -14.716 -14.578 444 HE1 TRP 67 HE1 TRP 67 -12.278 -13.211 -14.562 445 HE3 TRP 67 HE3 TRP 67 -13.520 -17.862 -16.862 446 HZ2 TRP 67 HZ2 TRP 67 -14.956 -13.320 -15.418 447 HZ3 TRP 67 HZ3 TRP 67 -15.825 -17.080 -17.236 448 HH2 TRP 67 HH2 TRP 67 -16.528 -14.851 -16.526 449 H ASN 68 HN ASN 68 -8.878 -15.941 -14.571 450 HA ASN 68 HA ASN 68 -6.266 -17.266 -14.370 451 HB2 ASN 68 HB2 ASN 68 -6.592 -14.370 -15.049 452 HB3 ASN 68 HB1 ASN 68 -5.338 -15.498 -15.554 453 HD21 ASN 68 HD21 ASN 68 -8.776 -14.758 -15.952 454 HD22 ASN 68 HD22 ASN 68 -8.892 -15.326 -17.578 455 H ASP 69 HN ASP 69 -8.407 -14.942 -12.924 456 HA ASP 69 HA ASP 69 -8.420 -13.900 -10.907 457 HB2 ASP 69 HB2 ASP 69 -6.360 -16.017 -10.391 458 HB3 ASP 69 HB1 ASP 69 -6.817 -14.845 -9.163 459 H ASP 70 HN ASP 70 -7.089 -12.633 -9.374 460 HA ASP 70 HA ASP 70 -4.753 -11.475 -10.723 461 HB2 ASP 70 HB2 ASP 70 -6.743 -9.950 -10.659 462 HB3 ASP 70 HB1 ASP 70 -6.684 -10.033 -8.905 463 H TYR 71 HN TYR 71 -2.948 -11.935 -9.657 464 HA TYR 71 HA TYR 71 -3.109 -12.093 -6.726 465 HB2 TYR 71 HB2 TYR 71 -1.870 -14.031 -8.648 466 HB3 TYR 71 HB1 TYR 71 -1.392 -13.962 -6.954 467 HD1 TYR 71 HD1 TYR 71 -3.205 -14.203 -5.220 468 HD2 TYR 71 HD2 TYR 71 -3.758 -15.266 -9.289 469 HE1 TYR 71 HE1 TYR 71 -5.075 -15.630 -4.565 470 HE2 TYR 71 HE2 TYR 71 -5.644 -16.705 -8.673 471 HH TYR 71 HH TYR 71 -7.345 -16.744 -6.635 472 H CYS 72 HN CYS 72 -1.409 -11.455 -5.552 473 HA CYS 72 HA CYS 72 0.363 -9.556 -6.693 474 HB2 CYS 72 HB2 CYS 72 -0.551 -9.632 -4.306 475 HB3 CYS 72 HB1 CYS 72 0.678 -10.854 -3.992 476 H THR 73 HN THR 73 2.759 -9.682 -6.458 477 HA THR 73 HA THR 73 3.724 -12.428 -6.920 478 HB THR 73 HB THR 73 5.145 -11.695 -8.645 479 HG1 THR 73 HG1 THR 73 6.000 -9.847 -7.764 480 HG21 THR 73 HG21 THR 73 3.674 -11.179 -10.242 481 HG22 THR 73 HG22 THR 73 3.109 -9.738 -9.397 482 HG23 THR 73 HG23 THR 73 2.476 -11.325 -8.956 483 H GLY 74 HN GLY 74 3.734 -10.238 -4.624 484 HA2 GLY 74 HA2 GLY 74 5.146 -9.618 -2.926 485 HA3 GLY 74 HA1 GLY 74 5.905 -11.176 -3.209 486 H LYS 75 HN LYS 75 5.884 -8.798 -5.742 487 HA LYS 75 HA LYS 75 8.629 -8.007 -5.086 488 HB2 LYS 75 HB2 LYS 75 7.815 -8.937 -7.839 489 HB3 LYS 75 HB1 LYS 75 9.426 -8.472 -7.309 490 HG2 LYS 75 HG2 LYS 75 8.696 -10.499 -5.564 491 HG3 LYS 75 HG1 LYS 75 8.084 -11.026 -7.133 492 HD2 LYS 75 HD2 LYS 75 10.278 -10.747 -8.119 493 HD3 LYS 75 HD1 LYS 75 10.907 -10.105 -6.600 494 HE2 LYS 75 HE2 LYS 75 9.906 -12.899 -7.128 495 HE3 LYS 75 HE1 LYS 75 11.566 -12.407 -6.798 496 HZ1 LYS 75 HZ1 LYS 75 10.770 -11.631 -4.590 497 HZ2 LYS 75 HZ2 LYS 75 10.657 -13.304 -4.813 498 HZ3 LYS 75 HZ3 LYS 75 9.270 -12.342 -4.921 499 H SER 76 HN SER 76 5.680 -6.878 -5.526 500 HA SER 76 HA SER 76 6.540 -4.270 -6.219 501 HB2 SER 76 HB2 SER 76 6.358 -5.644 -8.467 502 HB3 SER 76 HB1 SER 76 4.636 -5.313 -8.276 503 HG SER 76 HG SER 76 5.396 -3.604 -9.392 504 H SER 77 HN SER 77 4.662 -2.745 -6.442 505 HA SER 77 HA SER 77 2.662 -3.445 -4.458 506 HB2 SER 77 HB2 SER 77 2.123 -0.858 -5.381 507 HB3 SER 77 HB1 SER 77 3.014 -1.294 -3.924 508 HG SER 77 HG SER 77 4.876 -0.921 -4.924 509 H ASP 78 HN ASP 78 2.783 -4.228 -7.522 510 HA ASP 78 HA ASP 78 -0.004 -3.485 -8.109 511 HB2 ASP 78 HB2 ASP 78 2.396 -3.870 -9.831 512 HB3 ASP 78 HB1 ASP 78 0.835 -4.348 -10.493 513 H CYS 79 HN CYS 79 -1.460 -5.044 -8.724 514 HA CYS 79 HA CYS 79 -0.601 -7.842 -8.338 515 HB2 CYS 79 HB2 CYS 79 -2.603 -6.323 -6.993 516 HB3 CYS 79 HB1 CYS 79 -3.417 -7.558 -7.949 517 HA PRO 80 HA PRO 80 -1.955 -7.789 -12.696 518 HB2 PRO 80 HB2 PRO 80 -0.856 -10.203 -13.314 519 HB3 PRO 80 HB1 PRO 80 0.067 -8.697 -13.286 520 HG2 PRO 80 HG2 PRO 80 -0.138 -10.829 -11.194 521 HG3 PRO 80 HG1 PRO 80 1.298 -9.964 -11.773 522 HD2 PRO 80 HD2 PRO 80 0.068 -9.304 -9.470 523 HD3 PRO 80 HD1 PRO 80 0.831 -8.085 -10.510 524 H TRP 81 HN TRP 81 -3.911 -8.395 -13.333 525 HA TRP 81 HA TRP 81 -5.253 -10.597 -11.983 526 HB2 TRP 81 HB2 TRP 81 -7.323 -9.713 -12.943 527 HB3 TRP 81 HB1 TRP 81 -6.457 -8.509 -12.004 528 HD1 TRP 81 HD1 TRP 81 -4.477 -8.173 -14.870 529 HE1 TRP 81 HE1 TRP 81 -5.418 -6.479 -16.559 530 HE3 TRP 81 HE3 TRP 81 -9.273 -7.985 -13.207 531 HZ2 TRP 81 HZ2 TRP 81 -7.890 -5.226 -17.102 532 HZ3 TRP 81 HZ3 TRP 81 -10.886 -6.517 -14.359 533 HH2 TRP 81 HH2 TRP 81 -10.202 -5.166 -16.276 534 H ASN 82 HN ASN 82 -3.741 -9.976 -14.895 535 HA ASN 82 HA ASN 82 -3.449 -11.159 -16.815 536 HB2 ASN 82 HB2 ASN 82 -4.680 -13.351 -15.134 537 HB3 ASN 82 HB1 ASN 82 -3.964 -13.607 -16.722 538 HD21 ASN 82 HD21 ASN 82 -3.237 -14.623 -14.046 539 HD22 ASN 82 HD22 ASN 82 -1.576 -14.198 -13.832 540 H HIS 83 HN HIS 83 -5.706 -9.526 -16.678 541 HA HIS 83 HA HIS 83 -7.532 -10.989 -18.456 542 HB2 HIS 83 HB2 HIS 83 -8.462 -8.972 -16.408 543 HB3 HIS 83 HB1 HIS 83 -9.464 -9.986 -17.444 544 HD1 HIS 83 HD1 HIS 83 -9.144 -9.831 -14.149 545 HD2 HIS 83 HD2 HIS 83 -8.046 -12.874 -16.752 546 HE1 HIS 83 HE1 HIS 83 -9.059 -11.915 -12.748 547 HE2 HIS 83 HE2 HIS 83 -8.309 -13.726 -14.329 Start of MODEL 12 1 H1 SER 1 HT1 SER 1 -2.962 13.808 21.145 2 H2 SER 1 HT2 SER 1 -2.394 15.341 21.670 3 H3 SER 1 HT3 SER 1 -1.411 14.358 20.664 4 HA SER 1 HA SER 1 -3.256 14.496 19.001 5 HB2 SER 1 HB2 SER 1 -4.627 15.604 21.036 6 HB3 SER 1 HB1 SER 1 -3.987 17.072 20.295 7 HG SER 1 HG SER 1 -5.424 16.848 18.795 8 HA PRO 2 HA PRO 2 0.304 17.251 18.093 9 HB2 PRO 2 HB2 PRO 2 1.194 15.477 16.066 10 HB3 PRO 2 HB1 PRO 2 1.896 15.708 17.666 11 HG2 PRO 2 HG2 PRO 2 0.624 13.394 16.754 12 HG3 PRO 2 HG1 PRO 2 0.991 13.783 18.442 13 HD2 PRO 2 HD2 PRO 2 -1.576 14.037 16.949 14 HD3 PRO 2 HD1 PRO 2 -1.294 13.643 18.658 15 HA PRO 3 HA PRO 3 -1.334 18.965 14.361 16 HB2 PRO 3 HB2 PRO 3 0.776 20.133 13.212 17 HB3 PRO 3 HB1 PRO 3 0.168 20.676 14.781 18 HG2 PRO 3 HG2 PRO 3 2.516 18.930 14.158 19 HG3 PRO 3 HG1 PRO 3 2.373 20.231 15.354 20 HD2 PRO 3 HD2 PRO 3 2.147 17.543 15.933 21 HD3 PRO 3 HD1 PRO 3 1.453 18.845 16.918 22 H VAL 4 HN VAL 4 -1.991 18.211 12.454 23 HA VAL 4 HA VAL 4 -1.093 15.917 11.298 24 HB VAL 4 HB VAL 4 -3.305 16.987 10.994 25 HG11 VAL 4 HG11 VAL 4 -2.204 19.277 10.553 26 HG12 VAL 4 HG12 VAL 4 -3.683 18.855 9.691 27 HG13 VAL 4 HG13 VAL 4 -2.124 18.735 8.878 28 HG21 VAL 4 HG21 VAL 4 -3.530 16.477 8.580 29 HG22 VAL 4 HG22 VAL 4 -2.776 15.207 9.533 30 HG23 VAL 4 HG23 VAL 4 -1.786 16.255 8.515 31 H CYS 5 HN CYS 5 1.136 15.959 11.053 32 HA CYS 5 HA CYS 5 2.527 18.023 9.689 33 HB2 CYS 5 HB2 CYS 5 3.882 15.450 9.492 34 HB3 CYS 5 HB1 CYS 5 4.392 16.917 10.304 35 H GLY 6 HN GLY 6 1.713 18.493 7.729 36 HA2 GLY 6 HA2 GLY 6 1.961 18.217 5.385 37 HA3 GLY 6 HA1 GLY 6 2.094 16.482 5.630 38 H ASN 7 HN ASN 7 -0.410 17.890 7.443 39 HA ASN 7 HA ASN 7 -2.676 17.779 7.347 40 HB2 ASN 7 HB2 ASN 7 -1.872 18.501 4.587 41 HB3 ASN 7 HB1 ASN 7 -3.492 17.823 4.741 42 HD21 ASN 7 HD21 ASN 7 -5.084 19.027 5.619 43 HD22 ASN 7 HD22 ASN 7 -4.886 20.657 6.156 44 H LYS 8 HN LYS 8 -4.332 16.232 7.150 45 HA LYS 8 HA LYS 8 -3.626 13.576 7.055 46 HB2 LYS 8 HB2 LYS 8 -5.885 14.845 7.708 47 HB3 LYS 8 HB1 LYS 8 -6.362 14.279 6.113 48 HG2 LYS 8 HG2 LYS 8 -5.140 12.329 7.992 49 HG3 LYS 8 HG1 LYS 8 -6.803 12.848 8.276 50 HD2 LYS 8 HD2 LYS 8 -6.148 12.108 5.498 51 HD3 LYS 8 HD1 LYS 8 -6.120 10.788 6.669 52 HE2 LYS 8 HE2 LYS 8 -8.413 12.675 6.147 53 HE3 LYS 8 HE1 LYS 8 -8.322 10.982 5.665 54 HZ1 LYS 8 HZ1 LYS 8 -8.885 12.142 8.268 55 HZ2 LYS 8 HZ2 LYS 8 -7.901 10.766 8.278 56 HZ3 LYS 8 HZ3 LYS 8 -9.441 10.699 7.581 57 H ILE 9 HN ILE 9 -2.572 12.651 5.392 58 HA ILE 9 HA ILE 9 -2.584 13.420 2.757 59 HB ILE 9 HB ILE 9 -1.973 11.185 2.034 60 HG12 ILE 9 HG12 ILE 9 -3.567 10.274 4.096 61 HG13 ILE 9 HG11 ILE 9 -2.497 9.294 3.101 62 HG21 ILE 9 HG21 ILE 9 -0.206 12.473 2.856 63 HG22 ILE 9 HG22 ILE 9 -0.011 10.878 3.581 64 HG23 ILE 9 HG23 ILE 9 -0.682 12.200 4.531 65 HD11 ILE 9 HD11 ILE 9 -1.861 10.491 5.781 66 HD12 ILE 9 HD12 ILE 9 -0.722 9.601 4.772 67 HD13 ILE 9 HD13 ILE 9 -2.150 8.793 5.417 68 H LEU 10 HN LEU 10 -3.843 13.303 1.048 69 HA LEU 10 HA LEU 10 -6.496 12.161 1.429 70 HB2 LEU 10 HB2 LEU 10 -7.055 13.536 -0.614 71 HB3 LEU 10 HB1 LEU 10 -6.626 14.432 0.830 72 HG LEU 10 HG LEU 10 -5.690 15.197 -1.453 73 HD11 LEU 10 HD11 LEU 10 -4.846 15.501 1.157 74 HD12 LEU 10 HD12 LEU 10 -4.337 16.462 -0.231 75 HD13 LEU 10 HD13 LEU 10 -3.375 15.076 0.281 76 HD21 LEU 10 HD21 LEU 10 -3.669 13.053 -0.825 77 HD22 LEU 10 HD22 LEU 10 -3.619 14.209 -2.155 78 HD23 LEU 10 HD23 LEU 10 -4.863 12.960 -2.120 79 H GLU 11 HN GLU 11 -3.803 10.930 0.463 80 HA GLU 11 HA GLU 11 -4.867 8.845 -1.042 81 HB2 GLU 11 HB2 GLU 11 -4.129 9.302 -3.284 82 HB3 GLU 11 HB1 GLU 11 -5.152 10.629 -2.757 83 HG2 GLU 11 HG2 GLU 11 -2.837 11.676 -2.055 84 HG3 GLU 11 HG1 GLU 11 -2.238 10.577 -3.297 85 H GLN 12 HN GLN 12 -2.871 9.304 1.051 86 HA GLN 12 HA GLN 12 -0.597 8.008 -0.293 87 HB2 GLN 12 HB2 GLN 12 -0.250 9.813 2.085 88 HB3 GLN 12 HB1 GLN 12 0.985 9.194 1.006 89 HG2 GLN 12 HG2 GLN 12 -1.142 11.196 0.279 90 HG3 GLN 12 HG1 GLN 12 0.543 11.565 0.645 91 HE21 GLN 12 HE21 GLN 12 0.515 12.560 -1.473 92 HE22 GLN 12 HE22 GLN 12 0.776 11.582 -2.873 93 H GLY 13 HN GLY 13 -0.689 8.619 3.159 94 HA2 GLY 13 HA2 GLY 13 -1.176 7.159 4.927 95 HA3 GLY 13 HA1 GLY 13 -1.536 5.898 3.753 96 H GLU 14 HN GLU 14 1.296 7.560 3.084 97 HA GLU 14 HA GLU 14 3.348 6.721 4.582 98 HB2 GLU 14 HB2 GLU 14 2.106 4.384 3.448 99 HB3 GLU 14 HB1 GLU 14 3.714 4.579 2.772 100 HG2 GLU 14 HG2 GLU 14 4.664 4.665 5.006 101 HG3 GLU 14 HG1 GLU 14 3.053 4.483 5.701 102 H ASP 15 HN ASP 15 1.977 7.172 1.465 103 HA ASP 15 HA ASP 15 4.241 7.241 -0.150 104 HB2 ASP 15 HB2 ASP 15 1.540 7.744 -0.470 105 HB3 ASP 15 HB1 ASP 15 2.273 9.314 -0.773 106 H CYS 16 HN CYS 16 2.718 9.821 1.751 107 HA CYS 16 HA CYS 16 4.977 11.083 2.608 108 HB2 CYS 16 HB2 CYS 16 5.885 11.663 0.592 109 HB3 CYS 16 HB1 CYS 16 4.327 11.738 -0.216 110 H ASP 17 HN ASP 17 4.602 13.313 3.361 111 HA ASP 17 HA ASP 17 3.393 14.673 4.714 112 HB2 ASP 17 HB2 ASP 17 1.668 15.936 3.583 113 HB3 ASP 17 HB1 ASP 17 2.989 15.632 2.460 114 H CYS 18 HN CYS 18 2.948 12.003 5.335 115 HA CYS 18 HA CYS 18 0.520 10.888 5.442 116 HB2 CYS 18 HB2 CYS 18 2.807 10.558 6.926 117 HB3 CYS 18 HB1 CYS 18 1.624 11.014 8.154 118 H GLY 19 HN GLY 19 1.443 13.782 7.206 119 HA2 GLY 19 HA2 GLY 19 0.139 15.353 8.279 120 HA3 GLY 19 HA1 GLY 19 -1.225 14.661 7.425 121 H SER 20 HN SER 20 -1.897 12.418 8.339 122 HA SER 20 HA SER 20 -2.911 12.811 10.850 123 HB2 SER 20 HB2 SER 20 -3.501 10.496 10.893 124 HB3 SER 20 HB1 SER 20 -3.645 11.062 9.231 125 HG SER 20 HG SER 20 -2.208 9.640 8.682 126 HA PRO 21 HA PRO 21 0.973 12.803 13.070 127 HB2 PRO 21 HB2 PRO 21 -1.003 13.218 15.262 128 HB3 PRO 21 HB1 PRO 21 0.475 14.113 14.894 129 HG2 PRO 21 HG2 PRO 21 -1.902 15.154 14.313 130 HG3 PRO 21 HG1 PRO 21 -0.535 15.344 13.199 131 HD2 PRO 21 HD2 PRO 21 -2.881 13.498 13.022 132 HD3 PRO 21 HD1 PRO 21 -2.057 14.384 11.723 133 H ALA 22 HN ALA 22 -1.921 10.938 13.779 134 HA ALA 22 HA ALA 22 -0.989 9.290 15.809 135 HB1 ALA 22 HB1 ALA 22 -3.312 9.411 14.620 136 HB2 ALA 22 HB2 ALA 22 -2.773 7.899 15.350 137 HB3 ALA 22 HB3 ALA 22 -2.643 8.132 13.606 138 H ASN 23 HN ASN 23 -0.116 9.436 12.477 139 HA ASN 23 HA ASN 23 1.528 7.014 12.767 140 HB2 ASN 23 HB2 ASN 23 0.536 8.247 10.190 141 HB3 ASN 23 HB1 ASN 23 1.373 6.707 10.377 142 HD21 ASN 23 HD21 ASN 23 -0.721 6.288 9.070 143 HD22 ASN 23 HD22 ASN 23 -2.061 5.725 10.004 144 H CYS 24 HN CYS 24 1.556 10.407 12.330 145 HA CYS 24 HA CYS 24 3.853 10.846 10.828 146 HB2 CYS 24 HB2 CYS 24 2.231 12.592 11.613 147 HB3 CYS 24 HB1 CYS 24 2.955 12.481 13.211 148 H GLN 25 HN GLN 25 5.472 9.387 11.274 149 HA GLN 25 HA GLN 25 7.355 8.589 12.262 150 HB2 GLN 25 HB2 GLN 25 7.034 11.264 13.547 151 HB3 GLN 25 HB1 GLN 25 8.224 10.155 14.214 152 HG2 GLN 25 HG2 GLN 25 8.220 10.654 11.283 153 HG3 GLN 25 HG1 GLN 25 8.865 11.892 12.359 154 HE21 GLN 25 HE21 GLN 25 10.517 11.154 13.919 155 HE22 GLN 25 HE22 GLN 25 11.649 9.957 13.397 156 H ASP 26 HN ASP 26 5.565 7.015 13.011 157 HA ASP 26 HA ASP 26 6.169 6.188 15.623 158 HB2 ASP 26 HB2 ASP 26 3.868 8.002 15.348 159 HB3 ASP 26 HB1 ASP 26 3.520 6.514 16.222 160 H ARG 27 HN ARG 27 3.778 6.141 13.018 161 HA ARG 27 HA ARG 27 3.079 3.388 13.641 162 HB2 ARG 27 HB2 ARG 27 1.248 4.843 13.059 163 HB3 ARG 27 HB1 ARG 27 2.033 5.304 11.557 164 HG2 ARG 27 HG2 ARG 27 0.344 3.770 10.977 165 HG3 ARG 27 HG1 ARG 27 1.866 2.884 10.864 166 HD2 ARG 27 HD2 ARG 27 0.529 2.793 13.487 167 HD3 ARG 27 HD1 ARG 27 -0.323 1.985 12.171 168 HE ARG 27 HE ARG 27 2.433 1.264 12.255 169 HH11 ARG 27 HH11 ARG 27 -0.664 0.643 13.738 170 HH12 ARG 27 HH12 ARG 27 -0.242 -0.959 14.241 171 HH21 ARG 27 HH21 ARG 27 2.990 -0.843 12.915 172 HH22 ARG 27 HH22 ARG 27 1.832 -1.803 13.775 173 H CYS 28 HN CYS 28 3.345 4.588 10.343 174 HA CYS 28 HA CYS 28 5.760 3.103 9.820 175 HB2 CYS 28 HB2 CYS 28 3.694 1.493 9.803 176 HB3 CYS 28 HB1 CYS 28 3.368 2.228 8.238 177 H CYS 29 HN CYS 29 4.606 5.843 9.516 178 HA CYS 29 HA CYS 29 5.406 6.204 6.722 179 HB2 CYS 29 HB2 CYS 29 3.551 7.639 6.204 180 HB3 CYS 29 HB1 CYS 29 2.914 6.105 6.788 181 H ASN 30 HN ASN 30 5.822 8.459 6.186 182 HA ASN 30 HA ASN 30 6.884 9.920 8.508 183 HB2 ASN 30 HB2 ASN 30 7.907 9.586 5.705 184 HB3 ASN 30 HB1 ASN 30 8.374 10.966 6.676 185 HD21 ASN 30 HD21 ASN 30 8.674 9.935 9.142 186 HD22 ASN 30 HD22 ASN 30 9.928 8.747 9.159 187 H ALA 31 HN ALA 31 5.211 11.195 8.952 188 HA ALA 31 HA ALA 31 3.881 12.741 6.896 189 HB1 ALA 31 HB1 ALA 31 3.153 13.837 9.342 190 HB2 ALA 31 HB2 ALA 31 3.394 12.131 9.691 191 HB3 ALA 31 HB3 ALA 31 2.263 12.621 8.440 192 H ALA 32 HN ALA 32 6.588 12.977 8.950 193 HA ALA 32 HA ALA 32 6.825 15.878 8.525 194 HB1 ALA 32 HB1 ALA 32 7.058 14.856 10.847 195 HB2 ALA 32 HB2 ALA 32 8.350 15.937 10.322 196 HB3 ALA 32 HB3 ALA 32 8.590 14.189 10.279 197 H THR 33 HN THR 33 7.842 12.906 7.318 198 HA THR 33 HA THR 33 10.245 14.095 6.126 199 HB THR 33 HB THR 33 10.134 11.212 5.934 200 HG1 THR 33 HG1 THR 33 10.572 11.107 8.340 201 HG21 THR 33 HG21 THR 33 12.291 11.289 6.859 202 HG22 THR 33 HG22 THR 33 12.023 12.906 7.512 203 HG23 THR 33 HG23 THR 33 12.150 12.667 5.768 204 H CYS 34 HN CYS 34 7.183 13.618 5.358 205 HA CYS 34 HA CYS 34 5.994 13.178 3.475 206 HB2 CYS 34 HB2 CYS 34 6.902 15.264 2.829 207 HB3 CYS 34 HB1 CYS 34 8.463 14.554 2.444 208 H LYS 35 HN LYS 35 6.873 10.799 4.203 209 HA LYS 35 HA LYS 35 6.991 9.359 1.789 210 HB2 LYS 35 HB2 LYS 35 9.555 10.089 2.999 211 HB3 LYS 35 HB1 LYS 35 9.375 8.367 2.687 212 HG2 LYS 35 HG2 LYS 35 8.490 9.976 0.450 213 HG3 LYS 35 HG1 LYS 35 10.172 10.294 0.880 214 HD2 LYS 35 HD2 LYS 35 10.750 7.999 0.628 215 HD3 LYS 35 HD1 LYS 35 9.054 7.525 0.497 216 HE2 LYS 35 HE2 LYS 35 9.804 7.494 -1.708 217 HE3 LYS 35 HE1 LYS 35 8.999 9.055 -1.562 218 HZ1 LYS 35 HZ1 LYS 35 11.476 9.723 -0.880 219 HZ2 LYS 35 HZ2 LYS 35 10.910 9.779 -2.473 220 HZ3 LYS 35 HZ3 LYS 35 11.814 8.451 -1.944 221 H LEU 36 HN LEU 36 7.820 6.995 2.310 222 HA LEU 36 HA LEU 36 6.183 6.099 4.528 223 HB2 LEU 36 HB2 LEU 36 6.830 3.820 3.715 224 HB3 LEU 36 HB1 LEU 36 6.004 4.811 2.528 225 HG LEU 36 HG LEU 36 8.915 5.043 2.388 226 HD11 LEU 36 HD11 LEU 36 9.132 2.802 1.258 227 HD12 LEU 36 HD12 LEU 36 7.594 2.369 2.006 228 HD13 LEU 36 HD13 LEU 36 8.985 2.765 3.016 229 HD21 LEU 36 HD21 LEU 36 7.254 5.905 0.737 230 HD22 LEU 36 HD22 LEU 36 6.885 4.232 0.316 231 HD23 LEU 36 HD23 LEU 36 8.505 4.874 0.040 232 H THR 37 HN THR 37 7.081 4.501 6.120 233 HA THR 37 HA THR 37 9.526 5.560 7.196 234 HB THR 37 HB THR 37 9.100 3.638 8.907 235 HG1 THR 37 HG1 THR 37 7.464 2.454 8.427 236 HG21 THR 37 HG21 THR 37 7.454 6.102 8.547 237 HG22 THR 37 HG22 THR 37 8.745 5.769 9.704 238 HG23 THR 37 HG23 THR 37 7.168 5.001 9.897 239 HA PRO 38 HA PRO 38 12.650 2.788 5.903 240 HB2 PRO 38 HB2 PRO 38 13.689 1.939 8.329 241 HB3 PRO 38 HB1 PRO 38 14.109 3.450 7.520 242 HG2 PRO 38 HG2 PRO 38 12.158 2.962 9.729 243 HG3 PRO 38 HG1 PRO 38 13.308 4.297 9.521 244 HD2 PRO 38 HD2 PRO 38 10.723 4.629 8.976 245 HD3 PRO 38 HD1 PRO 38 11.969 5.367 7.948 246 H GLY 39 HN GLY 39 12.703 0.714 5.254 247 HA2 GLY 39 HA2 GLY 39 12.568 -1.631 5.565 248 HA3 GLY 39 HA1 GLY 39 11.543 -1.361 6.966 249 H SER 40 HN SER 40 9.793 0.516 5.575 250 HA SER 40 HA SER 40 7.854 -1.274 4.642 251 HB2 SER 40 HB2 SER 40 8.175 1.707 4.482 252 HB3 SER 40 HB1 SER 40 6.847 0.914 3.635 253 HG SER 40 HG SER 40 6.085 1.415 5.637 254 H GLN 41 HN GLN 41 7.644 -2.309 2.775 255 HA GLN 41 HA GLN 41 9.472 -1.877 0.625 256 HB2 GLN 41 HB2 GLN 41 7.601 -3.898 1.419 257 HB3 GLN 41 HB1 GLN 41 7.300 -3.478 -0.262 258 HG2 GLN 41 HG2 GLN 41 10.107 -3.953 0.576 259 HG3 GLN 41 HG1 GLN 41 9.032 -5.343 0.431 260 HE21 GLN 41 HE21 GLN 41 9.464 -2.344 -1.419 261 HE22 GLN 41 HE22 GLN 41 9.660 -3.117 -2.952 262 H CYS 42 HN CYS 42 6.045 -1.203 1.154 263 HA CYS 42 HA CYS 42 6.146 0.744 -1.027 264 HB2 CYS 42 HB2 CYS 42 3.940 -0.040 -1.871 265 HB3 CYS 42 HB1 CYS 42 5.231 -1.215 -2.101 266 H ASN 43 HN ASN 43 4.651 2.427 -0.849 267 HA ASN 43 HA ASN 43 3.886 3.026 1.845 268 HB2 ASN 43 HB2 ASN 43 2.908 5.112 0.757 269 HB3 ASN 43 HB1 ASN 43 4.643 4.876 0.566 270 HD21 ASN 43 HD21 ASN 43 5.432 5.051 -1.402 271 HD22 ASN 43 HD22 ASN 43 4.528 4.952 -2.871 272 H TYR 44 HN TYR 44 2.291 1.934 -1.052 273 HA TYR 44 HA TYR 44 0.097 0.831 0.259 274 HB2 TYR 44 HB2 TYR 44 -1.715 2.342 -0.249 275 HB3 TYR 44 HB1 TYR 44 -0.503 3.223 0.671 276 HD1 TYR 44 HD2 TYR 44 -1.559 2.564 -2.845 277 HD2 TYR 44 HD1 TYR 44 0.235 5.283 -0.109 278 HE1 TYR 44 HE2 TYR 44 -1.484 4.271 -4.606 279 HE2 TYR 44 HE1 TYR 44 0.313 7.003 -1.859 280 HH TYR 44 HH TYR 44 -0.987 7.497 -4.019 281 H GLY 45 HN GLY 45 -1.729 0.313 -1.364 282 HA2 GLY 45 HA2 GLY 45 -1.936 0.430 -3.956 283 HA3 GLY 45 HA1 GLY 45 -0.407 -0.431 -3.878 284 H GLU 46 HN GLU 46 -2.146 -1.753 -5.229 285 HA GLU 46 HA GLU 46 -4.074 -3.291 -3.910 286 HB2 GLU 46 HB2 GLU 46 -2.519 -3.588 -6.443 287 HB3 GLU 46 HB1 GLU 46 -3.464 -4.954 -5.867 288 HG2 GLU 46 HG2 GLU 46 -5.165 -4.053 -6.973 289 HG3 GLU 46 HG1 GLU 46 -5.235 -2.867 -5.670 290 H CYS 47 HN CYS 47 -0.633 -3.848 -4.426 291 HA CYS 47 HA CYS 47 -0.746 -6.414 -3.050 292 HB2 CYS 47 HB2 CYS 47 1.203 -4.978 -4.749 293 HB3 CYS 47 HB1 CYS 47 1.886 -6.026 -3.513 294 H CYS 48 HN CYS 48 -0.389 -3.189 -2.163 295 HA CYS 48 HA CYS 48 1.585 -3.545 -0.124 296 HB2 CYS 48 HB2 CYS 48 0.533 -1.368 -1.398 297 HB3 CYS 48 HB1 CYS 48 -0.244 -1.268 0.179 298 H ASP 49 HN ASP 49 1.367 -4.014 1.961 299 HA ASP 49 HA ASP 49 -1.261 -4.007 3.215 300 HB2 ASP 49 HB2 ASP 49 -0.739 -6.304 2.136 301 HB3 ASP 49 HB1 ASP 49 0.431 -6.486 3.439 302 H GLN 50 HN GLN 50 -0.786 -2.611 4.805 303 HA GLN 50 HA GLN 50 0.028 -1.873 6.800 304 HB2 GLN 50 HB2 GLN 50 0.639 -4.656 6.831 305 HB3 GLN 50 HB1 GLN 50 2.027 -3.792 7.477 306 HG2 GLN 50 HG2 GLN 50 0.024 -2.547 8.785 307 HG3 GLN 50 HG1 GLN 50 -0.664 -4.159 8.592 308 HE21 GLN 50 HE21 GLN 50 1.615 -5.700 8.755 309 HE22 GLN 50 HE22 GLN 50 2.272 -5.582 10.349 310 H CYS 51 HN CYS 51 2.943 -3.604 5.728 311 HA CYS 51 HA CYS 51 4.175 -1.136 4.835 312 HB2 CYS 51 HB2 CYS 51 5.466 -2.698 7.076 313 HB3 CYS 51 HB1 CYS 51 6.018 -1.182 6.375 314 H ARG 52 HN ARG 52 3.460 -3.880 3.820 315 HA ARG 52 HA ARG 52 5.938 -4.334 2.406 316 HB2 ARG 52 HB2 ARG 52 5.647 -5.779 4.685 317 HB3 ARG 52 HB1 ARG 52 4.863 -6.846 3.527 318 HG2 ARG 52 HG2 ARG 52 6.940 -7.633 3.229 319 HG3 ARG 52 HG1 ARG 52 7.115 -6.229 2.174 320 HD2 ARG 52 HD2 ARG 52 7.731 -5.099 4.527 321 HD3 ARG 52 HD1 ARG 52 8.251 -6.752 4.854 322 HE ARG 52 HE ARG 52 9.266 -5.953 2.362 323 HH11 ARG 52 HH11 ARG 52 9.676 -5.269 5.760 324 HH12 ARG 52 HH12 ARG 52 11.336 -4.807 5.594 325 HH21 ARG 52 HH21 ARG 52 11.450 -5.346 2.143 326 HH22 ARG 52 HH22 ARG 52 12.344 -4.849 3.541 327 H PHE 53 HN PHE 53 5.590 -6.357 0.891 328 HA PHE 53 HA PHE 53 3.140 -5.810 -0.554 329 HB2 PHE 53 HB2 PHE 53 5.597 -7.438 -1.176 330 HB3 PHE 53 HB1 PHE 53 4.164 -7.500 -2.198 331 HD1 PHE 53 HD2 PHE 53 3.368 -4.601 -1.977 332 HD2 PHE 53 HD1 PHE 53 7.131 -6.468 -2.658 333 HE1 PHE 53 HE2 PHE 53 4.134 -2.605 -3.172 334 HE2 PHE 53 HE1 PHE 53 7.907 -4.465 -3.860 335 HZ PHE 53 HZ PHE 53 6.408 -2.528 -4.120 336 H LYS 54 HN LYS 54 1.645 -7.396 -1.220 337 HA LYS 54 HA LYS 54 1.018 -9.299 0.819 338 HB2 LYS 54 HB2 LYS 54 -0.183 -8.907 -1.930 339 HB3 LYS 54 HB1 LYS 54 -0.862 -9.923 -0.666 340 HG2 LYS 54 HG2 LYS 54 -0.339 -7.126 0.087 341 HG3 LYS 54 HG1 LYS 54 -1.608 -7.382 -1.112 342 HD2 LYS 54 HD2 LYS 54 -2.610 -9.072 0.444 343 HD3 LYS 54 HD1 LYS 54 -1.431 -8.566 1.655 344 HE2 LYS 54 HE2 LYS 54 -3.143 -7.197 2.251 345 HE3 LYS 54 HE1 LYS 54 -2.395 -6.172 1.027 346 HZ1 LYS 54 HZ1 LYS 54 -4.923 -6.592 0.950 347 HZ2 LYS 54 HZ2 LYS 54 -4.504 -8.077 0.259 348 HZ3 LYS 54 HZ3 LYS 54 -4.042 -6.635 -0.494 349 H LYS 55 HN LYS 55 2.230 -11.078 1.040 350 HA LYS 55 HA LYS 55 3.991 -12.303 -0.529 351 HB2 LYS 55 HB2 LYS 55 3.363 -13.106 1.714 352 HB3 LYS 55 HB1 LYS 55 1.889 -13.797 1.049 353 HG2 LYS 55 HG2 LYS 55 3.237 -15.640 1.125 354 HG3 LYS 55 HG1 LYS 55 3.551 -15.073 -0.517 355 HD2 LYS 55 HD2 LYS 55 5.670 -14.391 -0.022 356 HD3 LYS 55 HD1 LYS 55 5.269 -14.002 1.652 357 HE2 LYS 55 HE2 LYS 55 5.074 -16.485 2.055 358 HE3 LYS 55 HE1 LYS 55 5.773 -16.717 0.454 359 HZ1 LYS 55 HZ1 LYS 55 7.053 -15.300 2.729 360 HZ2 LYS 55 HZ2 LYS 55 7.722 -15.463 1.184 361 HZ3 LYS 55 HZ3 LYS 55 7.472 -16.832 2.145 362 H ALA 56 HN ALA 56 4.103 -13.227 -2.466 363 HA ALA 56 HA ALA 56 2.245 -13.182 -4.402 364 HB1 ALA 56 HB1 ALA 56 3.395 -15.391 -5.243 365 HB2 ALA 56 HB2 ALA 56 4.519 -15.034 -3.929 366 HB3 ALA 56 HB3 ALA 56 4.266 -13.857 -5.218 367 H GLY 57 HN GLY 57 0.402 -14.145 -4.906 368 HA2 GLY 57 HA2 GLY 57 -0.881 -16.251 -5.020 369 HA3 GLY 57 HA1 GLY 57 -0.322 -16.585 -3.385 370 H THR 58 HN THR 58 -0.740 -13.480 -3.077 371 HA THR 58 HA THR 58 -3.360 -13.729 -1.910 372 HB THR 58 HB THR 58 -1.558 -11.311 -2.213 373 HG1 THR 58 HG1 THR 58 -1.908 -13.200 -0.134 374 HG21 THR 58 HG21 THR 58 -3.081 -10.058 -1.226 375 HG22 THR 58 HG22 THR 58 -3.344 -11.263 0.036 376 HG23 THR 58 HG23 THR 58 -4.236 -11.369 -1.484 377 H VAL 59 HN VAL 59 -5.170 -13.533 -3.080 378 HA VAL 59 HA VAL 59 -5.123 -12.410 -5.705 379 HB VAL 59 HB VAL 59 -6.609 -14.285 -5.198 380 HG11 VAL 59 HG11 VAL 59 -7.114 -13.074 -2.845 381 HG12 VAL 59 HG12 VAL 59 -8.131 -14.338 -3.538 382 HG13 VAL 59 HG13 VAL 59 -8.569 -12.642 -3.743 383 HG21 VAL 59 HG21 VAL 59 -8.630 -12.225 -5.734 384 HG22 VAL 59 HG22 VAL 59 -8.156 -13.629 -6.691 385 HG23 VAL 59 HG23 VAL 59 -7.199 -12.150 -6.761 386 H CYS 60 HN CYS 60 -5.199 -10.311 -6.153 387 HA CYS 60 HA CYS 60 -6.448 -8.495 -4.214 388 HB2 CYS 60 HB2 CYS 60 -4.735 -7.729 -6.571 389 HB3 CYS 60 HB1 CYS 60 -5.189 -6.718 -5.206 390 H ARG 61 HN ARG 61 -6.777 -9.730 -7.435 391 HA ARG 61 HA ARG 61 -9.286 -8.277 -7.736 392 HB2 ARG 61 HB2 ARG 61 -6.973 -7.376 -9.014 393 HB3 ARG 61 HB1 ARG 61 -7.844 -8.259 -10.260 394 HG2 ARG 61 HG2 ARG 61 -9.870 -6.832 -9.298 395 HG3 ARG 61 HG1 ARG 61 -8.552 -5.751 -8.855 396 HD2 ARG 61 HD2 ARG 61 -9.581 -6.511 -11.533 397 HD3 ARG 61 HD1 ARG 61 -9.010 -4.953 -10.945 398 HE ARG 61 HE ARG 61 -7.516 -6.804 -12.424 399 HH11 ARG 61 HH11 ARG 61 -7.173 -4.712 -9.647 400 HH12 ARG 61 HH12 ARG 61 -5.456 -4.572 -9.813 401 HH21 ARG 61 HH21 ARG 61 -5.264 -6.623 -12.637 402 HH22 ARG 61 HH22 ARG 61 -4.372 -5.653 -11.512 403 H ILE 62 HN ILE 62 -10.165 -8.954 -10.091 404 HA ILE 62 HA ILE 62 -9.581 -11.459 -11.146 405 HB ILE 62 HB ILE 62 -10.290 -12.418 -9.044 406 HG12 ILE 62 HG12 ILE 62 -12.160 -13.854 -9.846 407 HG13 ILE 62 HG11 ILE 62 -12.359 -12.772 -11.220 408 HG21 ILE 62 HG21 ILE 62 -13.066 -11.400 -9.359 409 HG22 ILE 62 HG22 ILE 62 -11.847 -10.348 -8.636 410 HG23 ILE 62 HG23 ILE 62 -12.210 -11.911 -7.903 411 HD11 ILE 62 HD11 ILE 62 -10.045 -14.574 -10.599 412 HD12 ILE 62 HD12 ILE 62 -9.963 -13.293 -11.809 413 HD13 ILE 62 HD13 ILE 62 -11.121 -14.610 -11.996 414 H ALA 63 HN ALA 63 -10.628 -11.685 -13.020 415 HA ALA 63 HA ALA 63 -12.176 -9.565 -13.999 416 HB1 ALA 63 HB1 ALA 63 -12.634 -11.756 -15.690 417 HB2 ALA 63 HB2 ALA 63 -10.997 -11.943 -15.059 418 HB3 ALA 63 HB3 ALA 63 -11.460 -10.459 -15.888 419 H ARG 64 HN ARG 64 -13.612 -12.704 -14.591 420 HA ARG 64 HA ARG 64 -15.832 -12.090 -12.797 421 HB2 ARG 64 HB2 ARG 64 -15.963 -12.138 -15.771 422 HB3 ARG 64 HB1 ARG 64 -17.311 -12.836 -14.883 423 HG2 ARG 64 HG2 ARG 64 -16.269 -10.026 -14.591 424 HG3 ARG 64 HG1 ARG 64 -17.733 -10.511 -15.448 425 HD2 ARG 64 HD2 ARG 64 -18.172 -11.651 -13.040 426 HD3 ARG 64 HD1 ARG 64 -17.221 -10.247 -12.557 427 HE ARG 64 HE ARG 64 -19.075 -9.188 -14.213 428 HH11 ARG 64 HH11 ARG 64 -19.291 -11.276 -11.425 429 HH12 ARG 64 HH12 ARG 64 -20.846 -10.684 -10.946 430 HH21 ARG 64 HH21 ARG 64 -21.121 -8.408 -13.584 431 HH22 ARG 64 HH22 ARG 64 -21.885 -9.056 -12.172 432 H GLY 65 HN GLY 65 -15.100 -13.925 -11.608 433 HA2 GLY 65 HA2 GLY 65 -16.193 -16.172 -11.370 434 HA3 GLY 65 HA1 GLY 65 -15.582 -16.491 -12.987 435 H ASP 66 HN ASP 66 -13.605 -17.311 -13.226 436 HA ASP 66 HA ASP 66 -11.413 -16.907 -11.579 437 HB2 ASP 66 HB2 ASP 66 -13.187 -18.431 -10.192 438 HB3 ASP 66 HB1 ASP 66 -12.235 -19.681 -10.987 439 H TRP 67 HN TRP 67 -10.373 -16.844 -13.517 440 HA TRP 67 HA TRP 67 -10.027 -19.422 -14.906 441 HB2 TRP 67 HB2 TRP 67 -9.239 -17.345 -16.649 442 HB3 TRP 67 HB1 TRP 67 -10.647 -18.390 -16.799 443 HD1 TRP 67 HD1 TRP 67 -9.781 -15.059 -14.941 444 HE1 TRP 67 HE1 TRP 67 -11.860 -13.572 -15.030 445 HE3 TRP 67 HE3 TRP 67 -12.946 -18.237 -17.379 446 HZ2 TRP 67 HZ2 TRP 67 -14.491 -13.705 -16.016 447 HZ3 TRP 67 HZ3 TRP 67 -15.237 -17.475 -17.868 448 HH2 TRP 67 HH2 TRP 67 -15.993 -15.251 -17.198 449 H ASN 68 HN ASN 68 -8.440 -16.283 -14.852 450 HA ASN 68 HA ASN 68 -5.837 -17.599 -14.515 451 HB2 ASN 68 HB2 ASN 68 -6.132 -14.703 -15.202 452 HB3 ASN 68 HB1 ASN 68 -4.855 -15.830 -15.648 453 HD21 ASN 68 HD21 ASN 68 -8.265 -15.074 -16.217 454 HD22 ASN 68 HD22 ASN 68 -8.302 -15.638 -17.848 455 H ASP 69 HN ASP 69 -8.027 -15.215 -13.220 456 HA ASP 69 HA ASP 69 -8.169 -14.224 -11.177 457 HB2 ASP 69 HB2 ASP 69 -5.856 -15.968 -10.375 458 HB3 ASP 69 HB1 ASP 69 -7.008 -15.174 -9.308 459 H ASP 70 HN ASP 70 -6.891 -12.957 -9.569 460 HA ASP 70 HA ASP 70 -4.544 -11.733 -10.835 461 HB2 ASP 70 HB2 ASP 70 -6.565 -10.245 -10.870 462 HB3 ASP 70 HB1 ASP 70 -6.580 -10.316 -9.114 463 H TYR 71 HN TYR 71 -2.782 -12.152 -9.684 464 HA TYR 71 HA TYR 71 -3.080 -12.302 -6.764 465 HB2 TYR 71 HB2 TYR 71 -1.733 -14.229 -8.620 466 HB3 TYR 71 HB1 TYR 71 -1.317 -14.141 -6.911 467 HD1 TYR 71 HD2 TYR 71 -3.188 -14.388 -5.243 468 HD2 TYR 71 HD1 TYR 71 -3.574 -15.498 -9.318 469 HE1 TYR 71 HE2 TYR 71 -5.062 -15.835 -4.642 470 HE2 TYR 71 HE1 TYR 71 -5.464 -16.955 -8.758 471 HH TYR 71 HH TYR 71 -6.141 -18.212 -6.244 472 H CYS 72 HN CYS 72 -1.450 -11.642 -5.511 473 HA CYS 72 HA CYS 72 0.347 -9.715 -6.564 474 HB2 CYS 72 HB2 CYS 72 -0.683 -9.840 -4.212 475 HB3 CYS 72 HB1 CYS 72 0.586 -11.009 -3.856 476 H THR 73 HN THR 73 2.724 -9.804 -6.213 477 HA THR 73 HA THR 73 3.754 -12.529 -6.653 478 HB THR 73 HB THR 73 5.236 -11.756 -8.300 479 HG1 THR 73 HG1 THR 73 6.087 -9.851 -8.214 480 HG21 THR 73 HG21 THR 73 3.866 -11.125 -9.968 481 HG22 THR 73 HG22 THR 73 3.168 -9.796 -9.040 482 HG23 THR 73 HG23 THR 73 2.614 -11.449 -8.767 483 H GLY 74 HN GLY 74 3.619 -10.335 -4.344 484 HA2 GLY 74 HA2 GLY 74 4.921 -9.750 -2.551 485 HA3 GLY 74 HA1 GLY 74 5.727 -11.286 -2.828 486 H LYS 75 HN LYS 75 5.781 -8.840 -5.296 487 HA LYS 75 HA LYS 75 8.403 -7.889 -4.455 488 HB2 LYS 75 HB2 LYS 75 7.941 -9.228 -7.123 489 HB3 LYS 75 HB1 LYS 75 9.416 -8.400 -6.642 490 HG2 LYS 75 HG2 LYS 75 9.471 -10.066 -4.689 491 HG3 LYS 75 HG1 LYS 75 8.300 -10.987 -5.635 492 HD2 LYS 75 HD2 LYS 75 10.206 -10.408 -7.503 493 HD3 LYS 75 HD1 LYS 75 11.176 -10.609 -6.043 494 HE2 LYS 75 HE2 LYS 75 11.091 -12.765 -6.866 495 HE3 LYS 75 HE1 LYS 75 9.760 -12.759 -5.710 496 HZ1 LYS 75 HZ1 LYS 75 8.826 -13.715 -7.573 497 HZ2 LYS 75 HZ2 LYS 75 9.653 -12.711 -8.653 498 HZ3 LYS 75 HZ3 LYS 75 8.361 -12.098 -7.751 499 H SER 76 HN SER 76 5.545 -6.904 -5.093 500 HA SER 76 HA SER 76 6.314 -4.368 -6.071 501 HB2 SER 76 HB2 SER 76 5.258 -6.334 -8.039 502 HB3 SER 76 HB1 SER 76 4.656 -4.680 -8.147 503 HG SER 76 HG SER 76 6.825 -3.982 -8.297 504 H SER 77 HN SER 77 4.486 -2.886 -6.293 505 HA SER 77 HA SER 77 2.391 -3.568 -4.398 506 HB2 SER 77 HB2 SER 77 1.944 -0.967 -5.378 507 HB3 SER 77 HB1 SER 77 2.693 -1.416 -3.846 508 HG SER 77 HG SER 77 3.824 -0.153 -5.821 509 H ASP 78 HN ASP 78 2.654 -4.346 -7.455 510 HA ASP 78 HA ASP 78 -0.119 -3.635 -8.142 511 HB2 ASP 78 HB2 ASP 78 0.620 -4.115 -10.527 512 HB3 ASP 78 HB1 ASP 78 1.293 -2.665 -9.787 513 H CYS 79 HN CYS 79 -1.540 -5.223 -8.432 514 HA CYS 79 HA CYS 79 -0.580 -7.997 -8.246 515 HB2 CYS 79 HB2 CYS 79 -2.727 -6.553 -7.018 516 HB3 CYS 79 HB1 CYS 79 -3.407 -7.854 -7.989 517 HA PRO 80 HA PRO 80 -1.728 -7.958 -12.660 518 HB2 PRO 80 HB2 PRO 80 -0.545 -10.340 -13.238 519 HB3 PRO 80 HB1 PRO 80 0.344 -8.816 -13.150 520 HG2 PRO 80 HG2 PRO 80 0.074 -10.972 -11.089 521 HG3 PRO 80 HG1 PRO 80 1.521 -10.074 -11.586 522 HD2 PRO 80 HD2 PRO 80 0.158 -9.458 -9.344 523 HD3 PRO 80 HD1 PRO 80 0.953 -8.217 -10.332 524 H TRP 81 HN TRP 81 -3.637 -8.605 -13.394 525 HA TRP 81 HA TRP 81 -4.991 -10.844 -12.118 526 HB2 TRP 81 HB2 TRP 81 -7.032 -10.005 -13.175 527 HB3 TRP 81 HB1 TRP 81 -6.241 -8.784 -12.192 528 HD1 TRP 81 HD1 TRP 81 -4.137 -8.411 -14.971 529 HE1 TRP 81 HE1 TRP 81 -5.030 -6.726 -16.695 530 HE3 TRP 81 HE3 TRP 81 -8.999 -8.298 -13.510 531 HZ2 TRP 81 HZ2 TRP 81 -7.497 -5.507 -17.338 532 HZ3 TRP 81 HZ3 TRP 81 -10.584 -6.851 -14.725 533 HH2 TRP 81 HH2 TRP 81 -9.841 -5.484 -16.609 534 H ASN 82 HN ASN 82 -3.354 -10.176 -14.949 535 HA ASN 82 HA ASN 82 -2.950 -11.335 -16.864 536 HB2 ASN 82 HB2 ASN 82 -4.230 -13.611 -15.333 537 HB3 ASN 82 HB1 ASN 82 -3.274 -13.774 -16.804 538 HD21 ASN 82 HD21 ASN 82 -3.188 -13.967 -13.524 539 HD22 ASN 82 HD22 ASN 82 -1.489 -13.785 -13.270 540 H HIS 83 HN HIS 83 -5.234 -9.768 -16.862 541 HA HIS 83 HA HIS 83 -6.955 -11.299 -18.686 542 HB2 HIS 83 HB2 HIS 83 -8.006 -9.279 -16.699 543 HB3 HIS 83 HB1 HIS 83 -8.948 -10.310 -17.772 544 HD1 HIS 83 HD1 HIS 83 -8.761 -10.138 -14.466 545 HD2 HIS 83 HD2 HIS 83 -7.529 -13.177 -17.012 546 HE1 HIS 83 HE1 HIS 83 -8.708 -12.217 -13.054 547 HE2 HIS 83 HE2 HIS 83 -7.869 -14.021 -14.596 Start of MODEL 13 1 H1 SER 1 HT1 SER 1 -7.072 14.866 18.250 2 H2 SER 1 HT2 SER 1 -6.349 14.671 19.794 3 H3 SER 1 HT3 SER 1 -7.348 13.434 19.150 4 HA SER 1 HA SER 1 -5.087 12.815 18.966 5 HB2 SER 1 HB2 SER 1 -6.980 12.672 17.043 6 HB3 SER 1 HB1 SER 1 -5.730 13.552 16.163 7 HG SER 1 HG SER 1 -4.908 11.641 15.875 8 HA PRO 2 HA PRO 2 -1.878 15.727 18.175 9 HB2 PRO 2 HB2 PRO 2 -0.565 14.003 16.201 10 HB3 PRO 2 HB1 PRO 2 -0.025 14.465 17.816 11 HG2 PRO 2 HG2 PRO 2 -0.838 11.960 17.235 12 HG3 PRO 2 HG1 PRO 2 -1.098 12.697 18.827 13 HD2 PRO 2 HD2 PRO 2 -3.026 12.349 16.559 14 HD3 PRO 2 HD1 PRO 2 -3.287 12.130 18.304 15 HA PRO 3 HA PRO 3 -2.433 18.039 14.466 16 HB2 PRO 3 HB2 PRO 3 0.437 18.469 14.085 17 HB3 PRO 3 HB1 PRO 3 -0.816 19.629 14.532 18 HG2 PRO 3 HG2 PRO 3 1.072 18.809 16.275 19 HG3 PRO 3 HG1 PRO 3 -0.574 19.225 16.785 20 HD2 PRO 3 HD2 PRO 3 0.648 16.525 16.341 21 HD3 PRO 3 HD1 PRO 3 -0.439 17.071 17.637 22 H VAL 4 HN VAL 4 -2.865 17.458 12.446 23 HA VAL 4 HA VAL 4 -1.810 15.165 11.276 24 HB VAL 4 HB VAL 4 -4.073 16.095 10.885 25 HG11 VAL 4 HG11 VAL 4 -3.141 18.480 10.671 26 HG12 VAL 4 HG12 VAL 4 -4.501 18.007 9.654 27 HG13 VAL 4 HG13 VAL 4 -2.875 18.063 8.979 28 HG21 VAL 4 HG21 VAL 4 -3.268 14.453 9.366 29 HG22 VAL 4 HG22 VAL 4 -2.365 15.665 8.456 30 HG23 VAL 4 HG23 VAL 4 -4.125 15.690 8.458 31 H CYS 5 HN CYS 5 0.418 15.378 11.187 32 HA CYS 5 HA CYS 5 1.742 17.627 10.070 33 HB2 CYS 5 HB2 CYS 5 3.304 15.194 9.780 34 HB3 CYS 5 HB1 CYS 5 3.621 16.605 10.773 35 H GLY 6 HN GLY 6 1.008 18.178 8.090 36 HA2 GLY 6 HA2 GLY 6 1.455 18.084 5.754 37 HA3 GLY 6 HA1 GLY 6 1.680 16.346 5.897 38 H ASN 7 HN ASN 7 -1.030 17.519 7.594 39 HA ASN 7 HA ASN 7 -3.274 17.292 7.323 40 HB2 ASN 7 HB2 ASN 7 -2.313 18.213 4.683 41 HB3 ASN 7 HB1 ASN 7 -3.876 17.398 4.646 42 HD21 ASN 7 HD21 ASN 7 -5.552 18.226 6.040 43 HD22 ASN 7 HD22 ASN 7 -5.579 19.907 6.438 44 H LYS 8 HN LYS 8 -4.859 15.720 6.867 45 HA LYS 8 HA LYS 8 -4.063 13.093 6.771 46 HB2 LYS 8 HB2 LYS 8 -6.317 13.812 7.445 47 HB3 LYS 8 HB1 LYS 8 -6.686 14.227 5.777 48 HG2 LYS 8 HG2 LYS 8 -7.689 12.122 6.265 49 HG3 LYS 8 HG1 LYS 8 -6.335 11.843 5.169 50 HD2 LYS 8 HD2 LYS 8 -5.161 10.680 6.708 51 HD3 LYS 8 HD1 LYS 8 -5.692 11.710 8.040 52 HE2 LYS 8 HE2 LYS 8 -8.009 10.525 7.525 53 HE3 LYS 8 HE1 LYS 8 -6.942 9.268 6.901 54 HZ1 LYS 8 HZ1 LYS 8 -6.482 10.416 9.576 55 HZ2 LYS 8 HZ2 LYS 8 -6.021 8.905 8.972 56 HZ3 LYS 8 HZ3 LYS 8 -7.641 9.202 9.359 57 H ILE 9 HN ILE 9 -2.589 12.560 5.211 58 HA ILE 9 HA ILE 9 -2.442 13.344 2.611 59 HB ILE 9 HB ILE 9 -1.589 11.019 2.025 60 HG12 ILE 9 HG12 ILE 9 -0.859 9.826 4.220 61 HG13 ILE 9 HG11 ILE 9 -2.238 10.662 4.928 62 HG21 ILE 9 HG21 ILE 9 -0.166 12.917 2.564 63 HG22 ILE 9 HG22 ILE 9 0.510 11.421 3.210 64 HG23 ILE 9 HG23 ILE 9 -0.325 12.546 4.274 65 HD11 ILE 9 HD11 ILE 9 -3.658 9.197 4.062 66 HD12 ILE 9 HD12 ILE 9 -2.254 8.228 3.614 67 HD13 ILE 9 HD13 ILE 9 -2.950 9.360 2.455 68 H LEU 10 HN LEU 10 -3.579 13.238 0.865 69 HA LEU 10 HA LEU 10 -6.033 11.705 0.878 70 HB2 LEU 10 HB2 LEU 10 -6.493 13.040 -1.222 71 HB3 LEU 10 HB1 LEU 10 -6.358 13.944 0.275 72 HG LEU 10 HG LEU 10 -5.238 14.838 -1.895 73 HD11 LEU 10 HD11 LEU 10 -3.168 15.366 -0.158 74 HD12 LEU 10 HD12 LEU 10 -4.522 14.993 0.910 75 HD13 LEU 10 HD13 LEU 10 -4.676 16.271 -0.295 76 HD21 LEU 10 HD21 LEU 10 -2.869 14.180 -2.089 77 HD22 LEU 10 HD22 LEU 10 -3.987 12.883 -2.506 78 HD23 LEU 10 HD23 LEU 10 -3.165 12.869 -0.947 79 H GLU 11 HN GLU 11 -3.142 10.769 0.251 80 HA GLU 11 HA GLU 11 -3.686 8.529 -1.222 81 HB2 GLU 11 HB2 GLU 11 -2.819 9.020 -3.470 82 HB3 GLU 11 HB1 GLU 11 -4.259 9.962 -3.118 83 HG2 GLU 11 HG2 GLU 11 -3.133 11.759 -3.742 84 HG3 GLU 11 HG1 GLU 11 -2.149 11.570 -2.290 85 H GLN 12 HN GLN 12 -2.120 8.571 0.811 86 HA GLN 12 HA GLN 12 0.542 8.152 -0.294 87 HB2 GLN 12 HB2 GLN 12 -0.045 10.051 1.960 88 HB3 GLN 12 HB1 GLN 12 1.547 9.370 1.694 89 HG2 GLN 12 HG2 GLN 12 1.879 11.210 0.474 90 HG3 GLN 12 HG1 GLN 12 1.005 10.323 -0.773 91 HE21 GLN 12 HE21 GLN 12 1.278 13.239 0.473 92 HE22 GLN 12 HE22 GLN 12 -0.340 13.827 0.323 93 H GLY 13 HN GLY 13 -0.234 8.444 3.134 94 HA2 GLY 13 HA2 GLY 13 -0.202 6.898 4.838 95 HA3 GLY 13 HA1 GLY 13 -0.787 5.732 3.659 96 H GLU 14 HN GLU 14 2.122 7.321 2.901 97 HA GLU 14 HA GLU 14 4.270 6.315 4.029 98 HB2 GLU 14 HB2 GLU 14 2.814 4.043 2.767 99 HB3 GLU 14 HB1 GLU 14 4.546 4.106 2.478 100 HG2 GLU 14 HG2 GLU 14 5.071 3.726 4.671 101 HG3 GLU 14 HG1 GLU 14 3.551 4.392 5.264 102 H ASP 15 HN ASP 15 3.441 8.258 2.256 103 HA ASP 15 HA ASP 15 5.283 7.808 0.019 104 HB2 ASP 15 HB2 ASP 15 3.006 7.708 -0.839 105 HB3 ASP 15 HB1 ASP 15 2.616 9.226 -0.043 106 H CYS 16 HN CYS 16 3.527 10.277 1.892 107 HA CYS 16 HA CYS 16 5.597 11.692 2.888 108 HB2 CYS 16 HB2 CYS 16 6.711 12.207 0.951 109 HB3 CYS 16 HB1 CYS 16 5.240 12.246 -0.012 110 H ASP 17 HN ASP 17 4.821 13.201 4.208 111 HA ASP 17 HA ASP 17 3.490 14.787 5.144 112 HB2 ASP 17 HB2 ASP 17 2.987 15.096 2.359 113 HB3 ASP 17 HB1 ASP 17 1.440 15.195 3.194 114 H CYS 18 HN CYS 18 3.008 11.922 5.281 115 HA CYS 18 HA CYS 18 0.626 10.817 5.102 116 HB2 CYS 18 HB2 CYS 18 2.767 10.557 6.938 117 HB3 CYS 18 HB1 CYS 18 1.271 10.495 7.869 118 H GLY 19 HN GLY 19 1.239 13.521 7.294 119 HA2 GLY 19 HA2 GLY 19 -0.260 14.928 8.356 120 HA3 GLY 19 HA1 GLY 19 -1.497 14.251 7.321 121 H SER 20 HN SER 20 -2.266 12.023 7.953 122 HA SER 20 HA SER 20 -3.386 12.111 10.457 123 HB2 SER 20 HB2 SER 20 -4.134 9.912 10.119 124 HB3 SER 20 HB1 SER 20 -3.979 10.587 8.499 125 HG SER 20 HG SER 20 -2.266 8.768 9.821 126 HA PRO 21 HA PRO 21 0.362 11.775 12.891 127 HB2 PRO 21 HB2 PRO 21 -1.802 11.557 14.939 128 HB3 PRO 21 HB1 PRO 21 -0.333 12.539 14.953 129 HG2 PRO 21 HG2 PRO 21 -2.685 13.648 14.408 130 HG3 PRO 21 HG1 PRO 21 -1.227 14.137 13.525 131 HD2 PRO 21 HD2 PRO 21 -3.494 12.419 12.637 132 HD3 PRO 21 HD1 PRO 21 -2.503 13.543 11.693 133 H ALA 22 HN ALA 22 -2.359 9.581 12.804 134 HA ALA 22 HA ALA 22 -1.524 7.578 14.521 135 HB1 ALA 22 HB1 ALA 22 -3.159 7.630 12.039 136 HB2 ALA 22 HB2 ALA 22 -3.596 7.126 13.671 137 HB3 ALA 22 HB3 ALA 22 -2.628 6.063 12.650 138 H ASN 23 HN ASN 23 -0.210 8.581 11.488 139 HA ASN 23 HA ASN 23 1.636 6.291 11.495 140 HB2 ASN 23 HB2 ASN 23 0.059 7.411 9.409 141 HB3 ASN 23 HB1 ASN 23 1.748 7.723 9.024 142 HD21 ASN 23 HD21 ASN 23 -0.687 5.609 8.595 143 HD22 ASN 23 HD22 ASN 23 0.212 4.161 8.313 144 H CYS 24 HN CYS 24 1.355 9.738 11.698 145 HA CYS 24 HA CYS 24 3.894 10.561 10.891 146 HB2 CYS 24 HB2 CYS 24 1.823 11.956 11.637 147 HB3 CYS 24 HB1 CYS 24 2.516 11.823 13.248 148 H GLN 25 HN GLN 25 5.434 9.060 11.540 149 HA GLN 25 HA GLN 25 7.095 8.238 12.857 150 HB2 GLN 25 HB2 GLN 25 6.270 10.312 14.891 151 HB3 GLN 25 HB1 GLN 25 7.833 9.519 14.752 152 HG2 GLN 25 HG2 GLN 25 6.843 11.087 12.434 153 HG3 GLN 25 HG1 GLN 25 7.423 11.959 13.852 154 HE21 GLN 25 HE21 GLN 25 8.323 9.427 11.558 155 HE22 GLN 25 HE22 GLN 25 10.018 9.760 11.581 156 H ASP 26 HN ASP 26 5.153 6.575 12.892 157 HA ASP 26 HA ASP 26 5.059 5.589 15.610 158 HB2 ASP 26 HB2 ASP 26 2.962 7.145 14.890 159 HB3 ASP 26 HB1 ASP 26 2.387 5.574 14.342 160 H ARG 27 HN ARG 27 3.196 4.958 12.630 161 HA ARG 27 HA ARG 27 3.611 2.134 12.894 162 HB2 ARG 27 HB2 ARG 27 2.056 3.918 11.130 163 HB3 ARG 27 HB1 ARG 27 2.569 2.400 10.406 164 HG2 ARG 27 HG2 ARG 27 1.186 1.161 11.688 165 HG3 ARG 27 HG1 ARG 27 1.361 2.218 13.091 166 HD2 ARG 27 HD2 ARG 27 -0.753 2.808 12.572 167 HD3 ARG 27 HD1 ARG 27 0.052 3.870 11.417 168 HE ARG 27 HE ARG 27 -0.800 2.602 9.718 169 HH11 ARG 27 HH11 ARG 27 -1.026 0.783 12.688 170 HH12 ARG 27 HH12 ARG 27 -1.950 -0.498 11.980 171 HH21 ARG 27 HH21 ARG 27 -2.016 0.917 8.784 172 HH22 ARG 27 HH22 ARG 27 -2.512 -0.423 9.763 173 H CYS 28 HN CYS 28 3.990 3.707 9.772 174 HA CYS 28 HA CYS 28 6.829 3.246 9.677 175 HB2 CYS 28 HB2 CYS 28 6.796 1.629 7.860 176 HB3 CYS 28 HB1 CYS 28 5.939 0.980 9.253 177 H CYS 29 HN CYS 29 4.901 5.424 9.314 178 HA CYS 29 HA CYS 29 5.681 6.217 6.584 179 HB2 CYS 29 HB2 CYS 29 3.281 5.729 6.628 180 HB3 CYS 29 HB1 CYS 29 3.072 6.832 7.980 181 H ASN 30 HN ASN 30 6.028 8.473 6.266 182 HA ASN 30 HA ASN 30 6.701 9.886 8.760 183 HB2 ASN 30 HB2 ASN 30 8.018 9.873 6.058 184 HB3 ASN 30 HB1 ASN 30 8.278 11.172 7.203 185 HD21 ASN 30 HD21 ASN 30 8.449 9.955 9.575 186 HD22 ASN 30 HD22 ASN 30 9.770 8.842 9.609 187 H ALA 31 HN ALA 31 4.903 11.006 9.114 188 HA ALA 31 HA ALA 31 3.637 12.571 7.037 189 HB1 ALA 31 HB1 ALA 31 1.923 12.194 8.437 190 HB2 ALA 31 HB2 ALA 31 2.614 13.451 9.454 191 HB3 ALA 31 HB3 ALA 31 2.997 11.761 9.758 192 H ALA 32 HN ALA 32 6.088 12.861 9.401 193 HA ALA 32 HA ALA 32 6.172 15.790 9.151 194 HB1 ALA 32 HB1 ALA 32 7.608 15.770 11.090 195 HB2 ALA 32 HB2 ALA 32 7.688 14.007 11.055 196 HB3 ALA 32 HB3 ALA 32 6.164 14.815 11.431 197 H THR 33 HN THR 33 7.575 12.961 7.943 198 HA THR 33 HA THR 33 10.023 14.394 7.191 199 HB THR 33 HB THR 33 10.145 11.538 6.766 200 HG1 THR 33 HG1 THR 33 9.654 12.425 9.417 201 HG21 THR 33 HG21 THR 33 11.660 13.117 8.791 202 HG22 THR 33 HG22 THR 33 12.033 13.194 7.068 203 HG23 THR 33 HG23 THR 33 12.149 11.659 7.929 204 H CYS 34 HN CYS 34 7.145 13.795 5.911 205 HA CYS 34 HA CYS 34 6.311 13.470 3.816 206 HB2 CYS 34 HB2 CYS 34 7.171 15.642 3.485 207 HB3 CYS 34 HB1 CYS 34 8.824 15.059 3.359 208 H LYS 35 HN LYS 35 7.218 11.086 4.519 209 HA LYS 35 HA LYS 35 7.825 9.838 2.069 210 HB2 LYS 35 HB2 LYS 35 10.084 10.928 3.177 211 HB3 LYS 35 HB1 LYS 35 10.129 9.272 3.765 212 HG2 LYS 35 HG2 LYS 35 11.384 9.621 1.662 213 HG3 LYS 35 HG1 LYS 35 10.116 8.406 1.536 214 HD2 LYS 35 HD2 LYS 35 9.413 9.503 -0.274 215 HD3 LYS 35 HD1 LYS 35 8.854 10.768 0.818 216 HE2 LYS 35 HE2 LYS 35 11.712 10.878 0.149 217 HE3 LYS 35 HE1 LYS 35 10.621 11.143 -1.210 218 HZ1 LYS 35 HZ1 LYS 35 9.545 12.904 0.027 219 HZ2 LYS 35 HZ2 LYS 35 11.203 13.213 -0.094 220 HZ3 LYS 35 HZ3 LYS 35 10.555 12.635 1.358 221 H LEU 36 HN LEU 36 8.790 7.543 2.523 222 HA LEU 36 HA LEU 36 7.118 6.341 4.610 223 HB2 LEU 36 HB2 LEU 36 7.109 4.348 3.358 224 HB3 LEU 36 HB1 LEU 36 6.913 5.629 2.181 225 HG LEU 36 HG LEU 36 9.567 4.318 2.749 226 HD11 LEU 36 HD11 LEU 36 8.089 3.691 0.269 227 HD12 LEU 36 HD12 LEU 36 7.506 2.933 1.750 228 HD13 LEU 36 HD13 LEU 36 9.173 2.687 1.231 229 HD21 LEU 36 HD21 LEU 36 8.600 6.444 0.962 230 HD22 LEU 36 HD22 LEU 36 9.637 5.236 0.203 231 HD23 LEU 36 HD23 LEU 36 10.215 6.141 1.601 232 H THR 37 HN THR 37 8.029 5.428 6.363 233 HA THR 37 HA THR 37 10.862 5.637 6.734 234 HB THR 37 HB THR 37 10.389 4.670 8.975 235 HG1 THR 37 HG1 THR 37 8.670 3.345 8.562 236 HG21 THR 37 HG21 THR 37 10.206 7.050 8.746 237 HG22 THR 37 HG22 THR 37 8.937 6.448 9.812 238 HG23 THR 37 HG23 THR 37 8.555 6.894 8.148 239 HA PRO 38 HA PRO 38 12.783 1.774 5.891 240 HB2 PRO 38 HB2 PRO 38 12.801 1.463 8.881 241 HB3 PRO 38 HB1 PRO 38 14.082 1.091 7.716 242 HG2 PRO 38 HG2 PRO 38 14.164 3.349 9.096 243 HG3 PRO 38 HG1 PRO 38 14.592 3.340 7.374 244 HD2 PRO 38 HD2 PRO 38 12.173 4.408 8.711 245 HD3 PRO 38 HD1 PRO 38 12.938 4.910 7.192 246 H GLY 39 HN GLY 39 12.212 -0.350 5.612 247 HA2 GLY 39 HA2 GLY 39 11.053 -2.353 6.119 248 HA3 GLY 39 HA1 GLY 39 10.006 -1.443 7.200 249 H SER 40 HN SER 40 9.323 0.647 5.431 250 HA SER 40 HA SER 40 7.149 -0.515 4.063 251 HB2 SER 40 HB2 SER 40 7.380 1.888 4.948 252 HB3 SER 40 HB1 SER 40 8.272 2.222 3.465 253 HG SER 40 HG SER 40 6.028 2.675 3.268 254 H GLN 41 HN GLN 41 7.534 -1.903 2.437 255 HA GLN 41 HA GLN 41 9.716 -1.628 0.623 256 HB2 GLN 41 HB2 GLN 41 7.258 -3.362 0.342 257 HB3 GLN 41 HB1 GLN 41 8.785 -3.563 -0.506 258 HG2 GLN 41 HG2 GLN 41 8.332 -3.870 2.453 259 HG3 GLN 41 HG1 GLN 41 8.588 -5.169 1.288 260 HE21 GLN 41 HE21 GLN 41 10.610 -5.754 0.782 261 HE22 GLN 41 HE22 GLN 41 12.038 -4.978 1.369 262 H CYS 42 HN CYS 42 6.422 -0.531 0.643 263 HA CYS 42 HA CYS 42 6.903 0.824 -1.901 264 HB2 CYS 42 HB2 CYS 42 4.500 0.234 -2.559 265 HB3 CYS 42 HB1 CYS 42 5.716 -1.026 -2.721 266 H ASN 43 HN ASN 43 5.713 2.702 -2.214 267 HA ASN 43 HA ASN 43 4.802 3.949 0.235 268 HB2 ASN 43 HB2 ASN 43 5.078 5.006 -2.590 269 HB3 ASN 43 HB1 ASN 43 4.557 5.978 -1.219 270 HD21 ASN 43 HD21 ASN 43 7.212 3.978 -2.402 271 HD22 ASN 43 HD22 ASN 43 8.462 4.838 -1.577 272 H TYR 44 HN TYR 44 3.523 2.822 -2.808 273 HA TYR 44 HA TYR 44 0.907 2.581 -1.732 274 HB2 TYR 44 HB2 TYR 44 1.510 5.001 -2.958 275 HB3 TYR 44 HB1 TYR 44 0.647 4.084 -4.196 276 HD1 TYR 44 HD1 TYR 44 -1.589 3.171 -3.702 277 HD2 TYR 44 HD2 TYR 44 0.404 5.824 -1.062 278 HE1 TYR 44 HE1 TYR 44 -3.697 3.575 -2.545 279 HE2 TYR 44 HE2 TYR 44 -1.688 6.254 0.108 280 HH TYR 44 HH TYR 44 -4.052 4.674 0.325 281 H GLY 45 HN GLY 45 -0.543 1.437 -3.110 282 HA2 GLY 45 HA2 GLY 45 -0.580 0.532 -5.534 283 HA3 GLY 45 HA1 GLY 45 0.900 -0.261 -5.016 284 H GLU 46 HN GLU 46 -1.808 -1.244 -5.849 285 HA GLU 46 HA GLU 46 -3.403 -2.303 -3.935 286 HB2 GLU 46 HB2 GLU 46 -2.379 -3.402 -6.521 287 HB3 GLU 46 HB1 GLU 46 -3.394 -4.412 -5.500 288 HG2 GLU 46 HG2 GLU 46 -4.966 -3.468 -6.859 289 HG3 GLU 46 HG1 GLU 46 -4.972 -2.327 -5.515 290 H CYS 47 HN CYS 47 -0.152 -3.296 -4.716 291 HA CYS 47 HA CYS 47 -0.275 -5.580 -2.906 292 HB2 CYS 47 HB2 CYS 47 1.648 -4.601 -4.973 293 HB3 CYS 47 HB1 CYS 47 2.208 -5.719 -3.737 294 H CYS 48 HN CYS 48 -0.507 -2.996 -1.672 295 HA CYS 48 HA CYS 48 2.037 -2.932 -0.191 296 HB2 CYS 48 HB2 CYS 48 1.037 -0.854 -1.670 297 HB3 CYS 48 HB1 CYS 48 0.402 -0.490 -0.069 298 H ASP 49 HN ASP 49 1.569 -4.125 1.555 299 HA ASP 49 HA ASP 49 -0.525 -3.122 3.325 300 HB2 ASP 49 HB2 ASP 49 -1.439 -5.048 1.972 301 HB3 ASP 49 HB1 ASP 49 -0.237 -6.073 2.751 302 H GLN 50 HN GLN 50 0.131 -2.983 5.352 303 HA GLN 50 HA GLN 50 1.388 -3.164 7.239 304 HB2 GLN 50 HB2 GLN 50 1.640 -5.855 6.007 305 HB3 GLN 50 HB1 GLN 50 2.787 -5.450 7.277 306 HG2 GLN 50 HG2 GLN 50 0.666 -4.731 8.594 307 HG3 GLN 50 HG1 GLN 50 -0.176 -5.751 7.428 308 HE21 GLN 50 HE21 GLN 50 -0.726 -7.479 8.590 309 HE22 GLN 50 HE22 GLN 50 0.373 -8.475 9.476 310 H CYS 51 HN CYS 51 2.475 -1.863 4.902 311 HA CYS 51 HA CYS 51 4.405 -0.862 4.237 312 HB2 CYS 51 HB2 CYS 51 5.951 -2.018 6.513 313 HB3 CYS 51 HB1 CYS 51 5.991 -0.392 5.843 314 H ARG 52 HN ARG 52 3.785 -3.642 3.464 315 HA ARG 52 HA ARG 52 6.362 -4.266 2.301 316 HB2 ARG 52 HB2 ARG 52 5.105 -5.915 4.423 317 HB3 ARG 52 HB1 ARG 52 5.769 -6.783 3.045 318 HG2 ARG 52 HG2 ARG 52 7.551 -4.738 4.135 319 HG3 ARG 52 HG1 ARG 52 7.165 -6.041 5.260 320 HD2 ARG 52 HD2 ARG 52 8.103 -7.666 3.898 321 HD3 ARG 52 HD1 ARG 52 7.971 -6.670 2.450 322 HE ARG 52 HE ARG 52 9.723 -5.312 4.025 323 HH11 ARG 52 HH11 ARG 52 9.576 -8.579 2.808 324 HH12 ARG 52 HH12 ARG 52 11.297 -8.770 2.756 325 HH21 ARG 52 HH21 ARG 52 11.986 -5.561 3.957 326 HH22 ARG 52 HH22 ARG 52 12.665 -7.057 3.409 327 H PHE 53 HN PHE 53 6.207 -5.720 0.493 328 HA PHE 53 HA PHE 53 3.881 -5.370 -1.030 329 HB2 PHE 53 HB2 PHE 53 6.234 -7.221 -1.359 330 HB3 PHE 53 HB1 PHE 53 4.896 -7.201 -2.507 331 HD1 PHE 53 HD2 PHE 53 4.247 -4.392 -2.695 332 HD2 PHE 53 HD1 PHE 53 8.045 -6.286 -2.461 333 HE1 PHE 53 HE2 PHE 53 5.250 -2.494 -3.865 334 HE2 PHE 53 HE1 PHE 53 9.068 -4.380 -3.638 335 HZ PHE 53 HZ PHE 53 7.670 -2.477 -4.344 336 H LYS 54 HN LYS 54 2.064 -6.509 -1.281 337 HA LYS 54 HA LYS 54 1.236 -8.343 0.644 338 HB2 LYS 54 HB2 LYS 54 0.210 -7.369 -1.940 339 HB3 LYS 54 HB1 LYS 54 -0.376 -8.958 -1.469 340 HG2 LYS 54 HG2 LYS 54 -1.443 -8.152 0.419 341 HG3 LYS 54 HG1 LYS 54 -0.461 -6.686 0.468 342 HD2 LYS 54 HD2 LYS 54 -1.767 -5.602 -1.036 343 HD3 LYS 54 HD1 LYS 54 -2.128 -7.073 -1.943 344 HE2 LYS 54 HE2 LYS 54 -3.978 -7.510 -0.740 345 HE3 LYS 54 HE1 LYS 54 -3.236 -6.995 0.774 346 HZ1 LYS 54 HZ1 LYS 54 -3.546 -4.668 -0.013 347 HZ2 LYS 54 HZ2 LYS 54 -4.990 -5.498 0.277 348 HZ3 LYS 54 HZ3 LYS 54 -4.452 -5.269 -1.310 349 H LYS 55 HN LYS 55 2.443 -10.112 1.006 350 HA LYS 55 HA LYS 55 4.048 -11.632 -0.435 351 HB2 LYS 55 HB2 LYS 55 3.379 -12.161 1.875 352 HB3 LYS 55 HB1 LYS 55 1.854 -12.804 1.282 353 HG2 LYS 55 HG2 LYS 55 3.021 -14.560 0.092 354 HG3 LYS 55 HG1 LYS 55 4.576 -13.889 0.587 355 HD2 LYS 55 HD2 LYS 55 2.508 -14.716 2.600 356 HD3 LYS 55 HD1 LYS 55 3.647 -15.878 1.916 357 HE2 LYS 55 HE2 LYS 55 4.932 -15.252 3.657 358 HE3 LYS 55 HE1 LYS 55 5.337 -13.893 2.609 359 HZ1 LYS 55 HZ1 LYS 55 3.707 -13.959 5.016 360 HZ2 LYS 55 HZ2 LYS 55 3.150 -12.956 3.773 361 HZ3 LYS 55 HZ3 LYS 55 4.699 -12.729 4.412 362 H ALA 56 HN ALA 56 4.076 -12.718 -2.287 363 HA ALA 56 HA ALA 56 2.189 -12.747 -4.204 364 HB1 ALA 56 HB1 ALA 56 3.222 -15.084 -4.842 365 HB2 ALA 56 HB2 ALA 56 4.381 -14.654 -3.582 366 HB3 ALA 56 HB3 ALA 56 4.160 -13.596 -4.977 367 H GLY 57 HN GLY 57 0.248 -13.596 -4.517 368 HA2 GLY 57 HA2 GLY 57 -1.162 -15.614 -4.458 369 HA3 GLY 57 HA1 GLY 57 -0.543 -15.899 -2.835 370 H THR 58 HN THR 58 -0.788 -12.722 -2.798 371 HA THR 58 HA THR 58 -3.301 -12.736 -1.395 372 HB THR 58 HB THR 58 -1.452 -10.437 -2.093 373 HG1 THR 58 HG1 THR 58 -1.694 -11.879 0.338 374 HG21 THR 58 HG21 THR 58 -4.002 -10.199 -1.210 375 HG22 THR 58 HG22 THR 58 -2.705 -9.039 -0.904 376 HG23 THR 58 HG23 THR 58 -3.103 -10.259 0.307 377 H VAL 59 HN VAL 59 -5.107 -12.846 -2.635 378 HA VAL 59 HA VAL 59 -5.288 -11.831 -5.264 379 HB VAL 59 HB VAL 59 -6.789 -13.606 -4.437 380 HG11 VAL 59 HG11 VAL 59 -8.621 -11.747 -3.097 381 HG12 VAL 59 HG12 VAL 59 -7.121 -12.072 -2.229 382 HG13 VAL 59 HG13 VAL 59 -8.182 -13.405 -2.687 383 HG21 VAL 59 HG21 VAL 59 -8.380 -13.056 -5.926 384 HG22 VAL 59 HG22 VAL 59 -7.384 -11.627 -6.205 385 HG23 VAL 59 HG23 VAL 59 -8.762 -11.542 -5.108 386 H CYS 60 HN CYS 60 -5.364 -9.764 -5.871 387 HA CYS 60 HA CYS 60 -6.471 -7.802 -3.974 388 HB2 CYS 60 HB2 CYS 60 -4.868 -6.873 -6.294 389 HB3 CYS 60 HB1 CYS 60 -4.946 -6.239 -4.656 390 H ARG 61 HN ARG 61 -6.945 -9.274 -7.012 391 HA ARG 61 HA ARG 61 -9.294 -7.640 -7.489 392 HB2 ARG 61 HB2 ARG 61 -6.975 -6.871 -8.716 393 HB3 ARG 61 HB1 ARG 61 -7.674 -7.937 -9.924 394 HG2 ARG 61 HG2 ARG 61 -9.832 -6.521 -9.479 395 HG3 ARG 61 HG1 ARG 61 -8.666 -5.332 -8.893 396 HD2 ARG 61 HD2 ARG 61 -9.075 -6.407 -11.640 397 HD3 ARG 61 HD1 ARG 61 -8.783 -4.751 -11.112 398 HE ARG 61 HE ARG 61 -6.808 -6.753 -11.755 399 HH11 ARG 61 HH11 ARG 61 -7.435 -3.730 -10.127 400 HH12 ARG 61 HH12 ARG 61 -5.773 -3.246 -10.124 401 HH21 ARG 61 HH21 ARG 61 -4.626 -6.126 -11.739 402 HH22 ARG 61 HH22 ARG 61 -4.177 -4.605 -11.041 403 H ILE 62 HN ILE 62 -10.192 -8.428 -9.804 404 HA ILE 62 HA ILE 62 -9.766 -11.011 -10.709 405 HB ILE 62 HB ILE 62 -10.458 -11.865 -8.574 406 HG12 ILE 62 HG12 ILE 62 -12.456 -13.177 -9.191 407 HG13 ILE 62 HG11 ILE 62 -12.750 -12.089 -10.542 408 HG21 ILE 62 HG21 ILE 62 -13.160 -10.665 -8.709 409 HG22 ILE 62 HG22 ILE 62 -11.825 -9.617 -8.226 410 HG23 ILE 62 HG23 ILE 62 -12.172 -11.084 -7.308 411 HD11 ILE 62 HD11 ILE 62 -10.653 -14.172 -10.206 412 HD12 ILE 62 HD12 ILE 62 -10.345 -12.790 -11.256 413 HD13 ILE 62 HD13 ILE 62 -11.717 -13.851 -11.575 414 H ALA 63 HN ALA 63 -10.911 -11.314 -12.535 415 HA ALA 63 HA ALA 63 -12.329 -9.183 -13.644 416 HB1 ALA 63 HB1 ALA 63 -13.121 -11.430 -15.090 417 HB2 ALA 63 HB2 ALA 63 -11.508 -11.808 -14.483 418 HB3 ALA 63 HB3 ALA 63 -11.772 -10.352 -15.439 419 H ARG 64 HN ARG 64 -14.104 -12.201 -13.819 420 HA ARG 64 HA ARG 64 -16.147 -11.163 -12.008 421 HB2 ARG 64 HB2 ARG 64 -16.454 -11.537 -14.948 422 HB3 ARG 64 HB1 ARG 64 -17.815 -11.957 -13.917 423 HG2 ARG 64 HG2 ARG 64 -18.312 -9.783 -14.364 424 HG3 ARG 64 HG1 ARG 64 -17.351 -9.576 -12.898 425 HD2 ARG 64 HD2 ARG 64 -16.207 -8.094 -14.144 426 HD3 ARG 64 HD1 ARG 64 -15.413 -9.531 -14.787 427 HE ARG 64 HE ARG 64 -17.800 -8.821 -16.211 428 HH11 ARG 64 HH11 ARG 64 -14.376 -8.215 -15.915 429 HH12 ARG 64 HH12 ARG 64 -14.207 -7.658 -17.546 430 HH21 ARG 64 HH21 ARG 64 -17.579 -8.090 -18.357 431 HH22 ARG 64 HH22 ARG 64 -16.025 -7.587 -18.933 432 H GLY 65 HN GLY 65 -15.546 -12.924 -10.648 433 HA2 GLY 65 HA2 GLY 65 -16.873 -15.001 -10.126 434 HA3 GLY 65 HA1 GLY 65 -16.336 -15.565 -11.702 435 H ASP 66 HN ASP 66 -14.455 -16.614 -11.861 436 HA ASP 66 HA ASP 66 -12.201 -16.235 -10.287 437 HB2 ASP 66 HB2 ASP 66 -12.310 -18.378 -8.924 438 HB3 ASP 66 HB1 ASP 66 -13.343 -17.061 -8.375 439 H TRP 67 HN TRP 67 -11.218 -16.481 -12.246 440 HA TRP 67 HA TRP 67 -11.110 -19.228 -13.314 441 HB2 TRP 67 HB2 TRP 67 -10.212 -17.449 -15.313 442 HB3 TRP 67 HB1 TRP 67 -11.703 -18.384 -15.307 443 HD1 TRP 67 HD1 TRP 67 -10.519 -14.947 -13.878 444 HE1 TRP 67 HE1 TRP 67 -12.470 -13.306 -14.110 445 HE3 TRP 67 HE3 TRP 67 -13.996 -18.108 -15.864 446 HZ2 TRP 67 HZ2 TRP 67 -15.131 -13.333 -15.028 447 HZ3 TRP 67 HZ3 TRP 67 -16.231 -17.220 -16.401 448 HH2 TRP 67 HH2 TRP 67 -16.785 -14.876 -15.990 449 H ASN 68 HN ASN 68 -9.282 -16.243 -13.675 450 HA ASN 68 HA ASN 68 -6.783 -17.712 -13.227 451 HB2 ASN 68 HB2 ASN 68 -6.887 -14.898 -14.256 452 HB3 ASN 68 HB1 ASN 68 -5.697 -16.155 -14.577 453 HD21 ASN 68 HD21 ASN 68 -9.045 -15.214 -15.201 454 HD22 ASN 68 HD22 ASN 68 -9.162 -15.985 -16.742 455 H ASP 69 HN ASP 69 -8.721 -14.992 -12.208 456 HA ASP 69 HA ASP 69 -8.727 -13.704 -10.343 457 HB2 ASP 69 HB2 ASP 69 -7.191 -16.100 -9.424 458 HB3 ASP 69 HB1 ASP 69 -7.363 -14.705 -8.365 459 H ASP 70 HN ASP 70 -7.641 -12.019 -9.432 460 HA ASP 70 HA ASP 70 -5.029 -11.453 -10.558 461 HB2 ASP 70 HB2 ASP 70 -6.936 -9.777 -10.530 462 HB3 ASP 70 HB1 ASP 70 -6.717 -9.686 -8.789 463 H TYR 71 HN TYR 71 -3.180 -11.791 -9.464 464 HA TYR 71 HA TYR 71 -3.326 -11.798 -6.530 465 HB2 TYR 71 HB2 TYR 71 -2.294 -13.943 -8.329 466 HB3 TYR 71 HB1 TYR 71 -1.620 -13.739 -6.713 467 HD1 TYR 71 HD1 TYR 71 -3.202 -13.759 -4.765 468 HD2 TYR 71 HD2 TYR 71 -4.307 -15.079 -8.637 469 HE1 TYR 71 HE1 TYR 71 -5.070 -14.998 -3.781 470 HE2 TYR 71 HE2 TYR 71 -6.193 -16.321 -7.690 471 HH TYR 71 HH TYR 71 -6.582 -17.376 -5.078 472 H CYS 72 HN CYS 72 -1.624 -11.125 -5.410 473 HA CYS 72 HA CYS 72 0.254 -9.413 -6.685 474 HB2 CYS 72 HB2 CYS 72 -0.727 -9.223 -4.325 475 HB3 CYS 72 HB1 CYS 72 0.444 -10.453 -3.862 476 H THR 73 HN THR 73 2.644 -9.615 -6.285 477 HA THR 73 HA THR 73 3.493 -12.430 -6.473 478 HB THR 73 HB THR 73 5.000 -11.934 -8.197 479 HG1 THR 73 HG1 THR 73 4.638 -9.218 -7.490 480 HG21 THR 73 HG21 THR 73 3.120 -9.905 -9.160 481 HG22 THR 73 HG22 THR 73 2.389 -11.432 -8.661 482 HG23 THR 73 HG23 THR 73 3.646 -11.418 -9.900 483 H GLY 74 HN GLY 74 3.502 -10.051 -4.379 484 HA2 GLY 74 HA2 GLY 74 4.854 -9.352 -2.665 485 HA3 GLY 74 HA1 GLY 74 5.562 -10.954 -2.785 486 H LYS 75 HN LYS 75 5.747 -8.737 -5.467 487 HA LYS 75 HA LYS 75 8.494 -8.027 -4.740 488 HB2 LYS 75 HB2 LYS 75 7.676 -9.306 -7.349 489 HB3 LYS 75 HB1 LYS 75 9.244 -8.566 -7.056 490 HG2 LYS 75 HG2 LYS 75 9.294 -10.228 -5.026 491 HG3 LYS 75 HG1 LYS 75 8.118 -11.109 -6.004 492 HD2 LYS 75 HD2 LYS 75 10.017 -10.521 -7.858 493 HD3 LYS 75 HD1 LYS 75 11.003 -10.718 -6.408 494 HE2 LYS 75 HE2 LYS 75 10.875 -12.852 -7.422 495 HE3 LYS 75 HE1 LYS 75 9.799 -12.899 -6.026 496 HZ1 LYS 75 HZ1 LYS 75 7.920 -12.559 -7.484 497 HZ2 LYS 75 HZ2 LYS 75 8.801 -13.909 -7.996 498 HZ3 LYS 75 HZ3 LYS 75 8.937 -12.445 -8.832 499 H SER 76 HN SER 76 5.612 -6.814 -5.428 500 HA SER 76 HA SER 76 6.644 -4.301 -6.254 501 HB2 SER 76 HB2 SER 76 5.007 -4.421 -8.382 502 HB3 SER 76 HB1 SER 76 6.721 -4.825 -8.473 503 HG SER 76 HG SER 76 4.493 -6.469 -8.604 504 H SER 77 HN SER 77 4.818 -2.738 -6.772 505 HA SER 77 HA SER 77 2.715 -3.130 -4.798 506 HB2 SER 77 HB2 SER 77 2.696 -0.876 -4.591 507 HB3 SER 77 HB1 SER 77 4.228 -0.952 -5.458 508 HG SER 77 HG SER 77 2.835 0.522 -6.455 509 H ASP 78 HN ASP 78 2.929 -4.240 -7.739 510 HA ASP 78 HA ASP 78 0.217 -3.427 -8.549 511 HB2 ASP 78 HB2 ASP 78 2.519 -4.496 -10.193 512 HB3 ASP 78 HB1 ASP 78 0.885 -4.287 -10.818 513 H CYS 79 HN CYS 79 -1.283 -4.993 -9.130 514 HA CYS 79 HA CYS 79 -0.591 -7.755 -8.359 515 HB2 CYS 79 HB2 CYS 79 -2.256 -6.221 -6.936 516 HB3 CYS 79 HB1 CYS 79 -3.405 -6.818 -8.128 517 HA PRO 80 HA PRO 80 -1.766 -8.179 -12.756 518 HB2 PRO 80 HB2 PRO 80 -1.002 -10.822 -12.878 519 HB3 PRO 80 HB1 PRO 80 0.083 -9.457 -13.163 520 HG2 PRO 80 HG2 PRO 80 -0.294 -11.096 -10.690 521 HG3 PRO 80 HG1 PRO 80 1.205 -10.477 -11.408 522 HD2 PRO 80 HD2 PRO 80 0.069 -9.297 -9.280 523 HD3 PRO 80 HD1 PRO 80 0.891 -8.352 -10.539 524 H TRP 81 HN TRP 81 -3.579 -9.051 -13.694 525 HA TRP 81 HA TRP 81 -5.557 -10.168 -11.922 526 HB2 TRP 81 HB2 TRP 81 -5.935 -9.927 -14.883 527 HB3 TRP 81 HB1 TRP 81 -7.138 -9.840 -13.607 528 HD1 TRP 81 HD1 TRP 81 -3.986 -7.554 -13.744 529 HE1 TRP 81 HE1 TRP 81 -4.814 -5.134 -13.984 530 HE3 TRP 81 HE3 TRP 81 -8.956 -8.477 -14.286 531 HZ2 TRP 81 HZ2 TRP 81 -7.272 -3.794 -14.370 532 HZ3 TRP 81 HZ3 TRP 81 -10.498 -6.575 -14.591 533 HH2 TRP 81 HH2 TRP 81 -9.667 -4.278 -14.630 534 H ASN 82 HN ASN 82 -3.524 -11.213 -14.500 535 HA ASN 82 HA ASN 82 -2.818 -13.311 -15.091 536 HB2 ASN 82 HB2 ASN 82 -5.063 -14.466 -13.425 537 HB3 ASN 82 HB1 ASN 82 -3.641 -15.304 -14.035 538 HD21 ASN 82 HD21 ASN 82 -3.772 -15.798 -11.602 539 HD22 ASN 82 HD22 ASN 82 -2.816 -14.778 -10.587 540 H HIS 83 HN HIS 83 -4.900 -11.571 -16.239 541 HA HIS 83 HA HIS 83 -6.555 -13.512 -17.687 542 HB2 HIS 83 HB2 HIS 83 -6.796 -10.494 -17.559 543 HB3 HIS 83 HB1 HIS 83 -7.939 -11.599 -18.320 544 HD1 HIS 83 HD1 HIS 83 -8.667 -9.635 -15.973 545 HD2 HIS 83 HD2 HIS 83 -7.774 -13.671 -15.560 546 HE1 HIS 83 HE1 HIS 83 -9.736 -10.343 -13.810 547 HE2 HIS 83 HE2 HIS 83 -9.266 -12.811 -13.631 Start of MODEL 14 1 H1 SER 1 HT1 SER 1 -3.556 13.627 20.890 2 H2 SER 1 HT2 SER 1 -3.038 15.179 21.407 3 H3 SER 1 HT3 SER 1 -1.973 14.169 20.517 4 HA SER 1 HA SER 1 -3.677 14.240 18.708 5 HB2 SER 1 HB2 SER 1 -4.659 16.315 20.644 6 HB3 SER 1 HB1 SER 1 -4.924 16.536 18.914 7 HG SER 1 HG SER 1 -6.579 15.283 19.215 8 HA PRO 2 HA PRO 2 0.028 16.930 18.082 9 HB2 PRO 2 HB2 PRO 2 0.799 15.034 16.024 10 HB3 PRO 2 HB1 PRO 2 1.646 15.452 17.514 11 HG2 PRO 2 HG2 PRO 2 0.498 13.021 17.090 12 HG3 PRO 2 HG1 PRO 2 0.676 13.745 18.698 13 HD2 PRO 2 HD2 PRO 2 -1.736 13.667 16.912 14 HD3 PRO 2 HD1 PRO 2 -1.625 13.396 18.667 15 HA PRO 3 HA PRO 3 -1.417 18.797 14.347 16 HB2 PRO 3 HB2 PRO 3 0.769 19.910 13.287 17 HB3 PRO 3 HB1 PRO 3 0.135 20.439 14.850 18 HG2 PRO 3 HG2 PRO 3 2.433 18.619 14.255 19 HG3 PRO 3 HG1 PRO 3 2.304 19.899 15.475 20 HD2 PRO 3 HD2 PRO 3 1.962 17.211 15.990 21 HD3 PRO 3 HD1 PRO 3 1.281 18.517 16.979 22 H VAL 4 HN VAL 4 -2.080 18.045 12.445 23 HA VAL 4 HA VAL 4 -1.145 15.786 11.238 24 HB VAL 4 HB VAL 4 -3.392 16.800 10.997 25 HG11 VAL 4 HG11 VAL 4 -2.284 18.620 8.901 26 HG12 VAL 4 HG12 VAL 4 -2.373 19.125 10.587 27 HG13 VAL 4 HG13 VAL 4 -3.842 18.675 9.722 28 HG21 VAL 4 HG21 VAL 4 -3.632 16.339 8.566 29 HG22 VAL 4 HG22 VAL 4 -2.866 15.062 9.500 30 HG23 VAL 4 HG23 VAL 4 -1.887 16.132 8.494 31 H CYS 5 HN CYS 5 1.065 15.891 10.972 32 HA CYS 5 HA CYS 5 2.392 18.013 9.634 33 HB2 CYS 5 HB2 CYS 5 3.774 15.446 9.406 34 HB3 CYS 5 HB1 CYS 5 4.296 16.928 10.182 35 H GLY 6 HN GLY 6 1.534 18.492 7.691 36 HA2 GLY 6 HA2 GLY 6 1.765 18.251 5.337 37 HA3 GLY 6 HA1 GLY 6 1.932 16.515 5.559 38 H ASN 7 HN ASN 7 -0.571 17.844 7.429 39 HA ASN 7 HA ASN 7 -2.837 17.699 7.359 40 HB2 ASN 7 HB2 ASN 7 -2.072 18.505 4.622 41 HB3 ASN 7 HB1 ASN 7 -3.658 17.746 4.738 42 HD21 ASN 7 HD21 ASN 7 -4.737 18.589 6.967 43 HD22 ASN 7 HD22 ASN 7 -4.850 20.312 7.030 44 H LYS 8 HN LYS 8 -4.489 16.141 7.135 45 HA LYS 8 HA LYS 8 -3.760 13.492 7.014 46 HB2 LYS 8 HB2 LYS 8 -6.012 14.659 7.723 47 HB3 LYS 8 HB1 LYS 8 -6.491 14.286 6.072 48 HG2 LYS 8 HG2 LYS 8 -5.581 12.301 8.146 49 HG3 LYS 8 HG1 LYS 8 -7.240 12.563 7.605 50 HD2 LYS 8 HD2 LYS 8 -6.550 11.917 5.316 51 HD3 LYS 8 HD1 LYS 8 -4.935 11.561 5.934 52 HE2 LYS 8 HE2 LYS 8 -6.394 10.102 7.643 53 HE3 LYS 8 HE1 LYS 8 -7.467 10.063 6.244 54 HZ1 LYS 8 HZ1 LYS 8 -5.678 9.180 4.913 55 HZ2 LYS 8 HZ2 LYS 8 -5.905 8.201 6.272 56 HZ3 LYS 8 HZ3 LYS 8 -4.603 9.278 6.216 57 H ILE 9 HN ILE 9 -2.608 12.694 5.340 58 HA ILE 9 HA ILE 9 -2.606 13.493 2.732 59 HB ILE 9 HB ILE 9 -1.901 11.324 1.966 60 HG12 ILE 9 HG12 ILE 9 -3.582 10.263 3.867 61 HG13 ILE 9 HG11 ILE 9 -2.410 9.362 2.910 62 HG21 ILE 9 HG21 ILE 9 -0.750 12.206 4.579 63 HG22 ILE 9 HG22 ILE 9 -0.209 12.608 2.950 64 HG23 ILE 9 HG23 ILE 9 -0.005 10.970 3.569 65 HD11 ILE 9 HD11 ILE 9 -1.990 10.463 5.671 66 HD12 ILE 9 HD12 ILE 9 -0.771 9.630 4.707 67 HD13 ILE 9 HD13 ILE 9 -2.222 8.775 5.228 68 H LEU 10 HN LEU 10 -3.701 13.196 0.901 69 HA LEU 10 HA LEU 10 -6.378 12.050 1.182 70 HB2 LEU 10 HB2 LEU 10 -6.883 13.467 -0.851 71 HB3 LEU 10 HB1 LEU 10 -6.548 14.333 0.637 72 HG LEU 10 HG LEU 10 -5.526 15.216 -1.547 73 HD11 LEU 10 HD11 LEU 10 -3.257 15.015 0.236 74 HD12 LEU 10 HD12 LEU 10 -4.753 15.369 1.101 75 HD13 LEU 10 HD13 LEU 10 -4.225 16.420 -0.213 76 HD21 LEU 10 HD21 LEU 10 -4.662 13.059 -2.349 77 HD22 LEU 10 HD22 LEU 10 -3.546 13.014 -0.985 78 HD23 LEU 10 HD23 LEU 10 -3.396 14.278 -2.204 79 H GLU 11 HN GLU 11 -3.605 10.938 0.309 80 HA GLU 11 HA GLU 11 -4.506 8.847 -1.282 81 HB2 GLU 11 HB2 GLU 11 -3.657 9.388 -3.480 82 HB3 GLU 11 HB1 GLU 11 -4.817 10.613 -2.990 83 HG2 GLU 11 HG2 GLU 11 -3.305 12.153 -3.462 84 HG3 GLU 11 HG1 GLU 11 -2.336 11.547 -2.119 85 H GLN 12 HN GLN 12 -2.710 9.220 0.908 86 HA GLN 12 HA GLN 12 -0.289 8.089 -0.309 87 HB2 GLN 12 HB2 GLN 12 -0.370 10.173 1.864 88 HB3 GLN 12 HB1 GLN 12 1.066 9.266 1.440 89 HG2 GLN 12 HG2 GLN 12 1.501 10.992 0.101 90 HG3 GLN 12 HG1 GLN 12 0.325 10.242 -0.979 91 HE21 GLN 12 HE21 GLN 12 1.192 13.047 0.510 92 HE22 GLN 12 HE22 GLN 12 -0.314 13.890 0.435 93 H GLY 13 HN GLY 13 -0.520 8.742 3.113 94 HA2 GLY 13 HA2 GLY 13 -0.984 7.319 4.906 95 HA3 GLY 13 HA1 GLY 13 -1.404 6.053 3.759 96 H GLU 14 HN GLU 14 1.500 7.674 3.138 97 HA GLU 14 HA GLU 14 3.528 6.788 4.589 98 HB2 GLU 14 HB2 GLU 14 2.250 4.448 3.373 99 HB3 GLU 14 HB1 GLU 14 3.963 4.569 3.003 100 HG2 GLU 14 HG2 GLU 14 4.361 4.850 5.468 101 HG3 GLU 14 HG1 GLU 14 2.675 4.397 5.706 102 H ASP 15 HN ASP 15 2.150 7.272 1.506 103 HA ASP 15 HA ASP 15 4.446 7.185 -0.105 104 HB2 ASP 15 HB2 ASP 15 2.218 7.233 -1.067 105 HB3 ASP 15 HB1 ASP 15 1.912 8.813 -0.358 106 H CYS 16 HN CYS 16 2.904 9.873 1.641 107 HA CYS 16 HA CYS 16 5.153 11.139 2.508 108 HB2 CYS 16 HB2 CYS 16 6.151 11.622 0.514 109 HB3 CYS 16 HB1 CYS 16 4.629 11.660 -0.365 110 H ASP 17 HN ASP 17 4.683 12.912 3.694 111 HA ASP 17 HA ASP 17 3.511 14.542 4.739 112 HB2 ASP 17 HB2 ASP 17 2.448 14.590 2.007 113 HB3 ASP 17 HB1 ASP 17 1.313 15.191 3.210 114 H CYS 18 HN CYS 18 3.003 11.846 5.332 115 HA CYS 18 HA CYS 18 0.577 10.767 5.414 116 HB2 CYS 18 HB2 CYS 18 2.825 10.470 6.979 117 HB3 CYS 18 HB1 CYS 18 1.586 10.908 8.157 118 H GLY 19 HN GLY 19 1.434 13.691 7.187 119 HA2 GLY 19 HA2 GLY 19 0.075 15.259 8.208 120 HA3 GLY 19 HA1 GLY 19 -1.256 14.540 7.322 121 H SER 20 HN SER 20 -1.874 12.256 8.246 122 HA SER 20 HA SER 20 -2.971 12.662 10.719 123 HB2 SER 20 HB2 SER 20 -3.405 10.286 10.823 124 HB3 SER 20 HB1 SER 20 -3.665 10.874 9.182 125 HG SER 20 HG SER 20 -2.378 8.854 9.506 126 HA PRO 21 HA PRO 21 0.854 12.777 13.035 127 HB2 PRO 21 HB2 PRO 21 -0.500 13.255 15.423 128 HB3 PRO 21 HB1 PRO 21 0.091 14.492 14.312 129 HG2 PRO 21 HG2 PRO 21 -2.652 13.361 14.606 130 HG3 PRO 21 HG1 PRO 21 -2.153 15.022 14.242 131 HD2 PRO 21 HD2 PRO 21 -3.094 13.374 12.335 132 HD3 PRO 21 HD1 PRO 21 -1.825 14.558 11.994 133 H ALA 22 HN ALA 22 -1.962 10.794 13.563 134 HA ALA 22 HA ALA 22 -1.026 9.209 15.681 135 HB1 ALA 22 HB1 ALA 22 -2.678 8.028 13.488 136 HB2 ALA 22 HB2 ALA 22 -3.358 9.293 14.512 137 HB3 ALA 22 HB3 ALA 22 -2.789 7.786 15.231 138 H ASN 23 HN ASN 23 -0.027 9.458 12.422 139 HA ASN 23 HA ASN 23 1.677 7.085 12.737 140 HB2 ASN 23 HB2 ASN 23 0.461 8.043 10.139 141 HB3 ASN 23 HB1 ASN 23 1.431 6.592 10.380 142 HD21 ASN 23 HD21 ASN 23 -1.096 6.562 9.231 143 HD22 ASN 23 HD22 ASN 23 -2.174 5.714 10.280 144 H CYS 24 HN CYS 24 1.749 10.324 12.710 145 HA CYS 24 HA CYS 24 3.818 10.857 10.811 146 HB2 CYS 24 HB2 CYS 24 2.210 12.589 11.604 147 HB3 CYS 24 HB1 CYS 24 2.964 12.522 13.192 148 H GLN 25 HN GLN 25 5.514 9.470 11.196 149 HA GLN 25 HA GLN 25 7.495 8.792 12.079 150 HB2 GLN 25 HB2 GLN 25 7.232 11.263 13.803 151 HB3 GLN 25 HB1 GLN 25 8.701 10.328 13.562 152 HG2 GLN 25 HG2 GLN 25 7.448 11.258 11.088 153 HG3 GLN 25 HG1 GLN 25 8.002 12.546 12.157 154 HE21 GLN 25 HE21 GLN 25 9.925 13.235 11.584 155 HE22 GLN 25 HE22 GLN 25 11.238 12.260 11.025 156 H ASP 26 HN ASP 26 5.815 7.152 12.948 157 HA ASP 26 HA ASP 26 6.617 6.350 15.503 158 HB2 ASP 26 HB2 ASP 26 4.929 8.392 15.855 159 HB3 ASP 26 HB1 ASP 26 3.743 7.099 15.697 160 H ARG 27 HN ARG 27 4.040 6.270 13.090 161 HA ARG 27 HA ARG 27 3.368 3.533 13.785 162 HB2 ARG 27 HB2 ARG 27 1.541 5.022 13.233 163 HB3 ARG 27 HB1 ARG 27 2.264 5.392 11.677 164 HG2 ARG 27 HG2 ARG 27 0.690 3.870 11.046 165 HG3 ARG 27 HG1 ARG 27 2.060 2.795 11.327 166 HD2 ARG 27 HD2 ARG 27 -0.315 3.301 13.097 167 HD3 ARG 27 HD1 ARG 27 0.219 1.780 12.390 168 HE ARG 27 HE ARG 27 1.889 1.619 14.021 169 HH11 ARG 27 HH11 ARG 27 0.002 4.538 14.410 170 HH12 ARG 27 HH12 ARG 27 0.547 4.817 16.028 171 HH21 ARG 27 HH21 ARG 27 2.601 1.994 16.146 172 HH22 ARG 27 HH22 ARG 27 2.021 3.377 17.012 173 H CYS 28 HN CYS 28 3.513 4.646 10.446 174 HA CYS 28 HA CYS 28 5.893 3.112 9.878 175 HB2 CYS 28 HB2 CYS 28 3.583 1.681 9.880 176 HB3 CYS 28 HB1 CYS 28 3.624 2.226 8.207 177 H CYS 29 HN CYS 29 4.719 5.872 9.547 178 HA CYS 29 HA CYS 29 5.522 6.197 6.752 179 HB2 CYS 29 HB2 CYS 29 3.641 7.617 6.218 180 HB3 CYS 29 HB1 CYS 29 3.047 6.049 6.756 181 H ASN 30 HN ASN 30 5.892 8.464 6.187 182 HA ASN 30 HA ASN 30 6.895 9.969 8.508 183 HB2 ASN 30 HB2 ASN 30 7.958 9.635 5.721 184 HB3 ASN 30 HB1 ASN 30 8.385 11.033 6.685 185 HD21 ASN 30 HD21 ASN 30 8.678 10.026 9.166 186 HD22 ASN 30 HD22 ASN 30 9.956 8.865 9.205 187 H ALA 31 HN ALA 31 5.189 11.210 8.926 188 HA ALA 31 HA ALA 31 3.850 12.720 6.852 189 HB1 ALA 31 HB1 ALA 31 3.068 13.816 9.269 190 HB2 ALA 31 HB2 ALA 31 3.379 12.132 9.663 191 HB3 ALA 31 HB3 ALA 31 2.233 12.539 8.398 192 H ALA 32 HN ALA 32 6.513 13.017 8.968 193 HA ALA 32 HA ALA 32 6.719 15.915 8.508 194 HB1 ALA 32 HB1 ALA 32 6.891 14.976 10.849 195 HB2 ALA 32 HB2 ALA 32 8.229 16.003 10.335 196 HB3 ALA 32 HB3 ALA 32 8.419 14.249 10.351 197 H THR 33 HN THR 33 7.765 12.987 7.279 198 HA THR 33 HA THR 33 10.204 14.202 6.189 199 HB THR 33 HB THR 33 10.173 11.318 6.017 200 HG1 THR 33 HG1 THR 33 10.537 11.261 8.447 201 HG21 THR 33 HG21 THR 33 11.977 12.963 7.721 202 HG22 THR 33 HG22 THR 33 12.131 12.941 5.964 203 HG23 THR 33 HG23 THR 33 12.308 11.447 6.885 204 H CYS 34 HN CYS 34 7.179 13.639 5.315 205 HA CYS 34 HA CYS 34 6.080 13.171 3.382 206 HB2 CYS 34 HB2 CYS 34 6.953 15.252 2.732 207 HB3 CYS 34 HB1 CYS 34 8.567 14.599 2.487 208 H LYS 35 HN LYS 35 6.965 10.812 4.191 209 HA LYS 35 HA LYS 35 7.224 9.346 1.794 210 HB2 LYS 35 HB2 LYS 35 9.667 10.321 2.775 211 HB3 LYS 35 HB1 LYS 35 9.628 8.612 3.187 212 HG2 LYS 35 HG2 LYS 35 8.731 9.049 0.481 213 HG3 LYS 35 HG1 LYS 35 10.336 9.735 0.746 214 HD2 LYS 35 HD2 LYS 35 9.993 7.085 1.925 215 HD3 LYS 35 HD1 LYS 35 9.788 7.104 0.172 216 HE2 LYS 35 HE2 LYS 35 12.147 8.281 1.635 217 HE3 LYS 35 HE1 LYS 35 12.124 6.676 0.906 218 HZ1 LYS 35 HZ1 LYS 35 12.970 7.803 -0.834 219 HZ2 LYS 35 HZ2 LYS 35 12.310 9.286 -0.360 220 HZ3 LYS 35 HZ3 LYS 35 11.345 8.148 -1.157 221 H LEU 36 HN LEU 36 8.052 6.996 2.377 222 HA LEU 36 HA LEU 36 6.313 6.089 4.518 223 HB2 LEU 36 HB2 LEU 36 6.974 3.813 3.706 224 HB3 LEU 36 HB1 LEU 36 6.194 4.821 2.502 225 HG LEU 36 HG LEU 36 9.140 4.948 2.513 226 HD11 LEU 36 HD11 LEU 36 9.356 2.712 2.711 227 HD12 LEU 36 HD12 LEU 36 8.887 2.740 1.011 228 HD13 LEU 36 HD13 LEU 36 7.682 2.398 2.252 229 HD21 LEU 36 HD21 LEU 36 7.315 5.905 0.872 230 HD22 LEU 36 HD22 LEU 36 7.446 4.299 0.156 231 HD23 LEU 36 HD23 LEU 36 8.872 5.330 0.275 232 H THR 37 HN THR 37 7.158 4.411 6.086 233 HA THR 37 HA THR 37 9.618 5.424 7.231 234 HB THR 37 HB THR 37 9.089 3.756 9.065 235 HG1 THR 37 HG1 THR 37 7.673 2.330 8.497 236 HG21 THR 37 HG21 THR 37 6.933 5.002 9.743 237 HG22 THR 37 HG22 THR 37 7.277 6.004 8.333 238 HG23 THR 37 HG23 THR 37 8.456 5.883 9.640 239 HA PRO 38 HA PRO 38 12.682 2.536 6.018 240 HB2 PRO 38 HB2 PRO 38 12.922 1.984 8.952 241 HB3 PRO 38 HB1 PRO 38 14.194 2.313 7.767 242 HG2 PRO 38 HG2 PRO 38 13.423 4.217 9.427 243 HG3 PRO 38 HG1 PRO 38 13.725 4.599 7.720 244 HD2 PRO 38 HD2 PRO 38 11.133 4.296 9.165 245 HD3 PRO 38 HD1 PRO 38 11.567 5.394 7.839 246 H GLY 39 HN GLY 39 12.866 0.383 5.554 247 HA2 GLY 39 HA2 GLY 39 12.457 -1.894 5.653 248 HA3 GLY 39 HA1 GLY 39 11.574 -1.637 7.148 249 H SER 40 HN SER 40 10.278 0.500 5.013 250 HA SER 40 HA SER 40 8.008 -1.253 4.529 251 HB2 SER 40 HB2 SER 40 7.465 0.919 5.411 252 HB3 SER 40 HB1 SER 40 8.401 1.722 4.151 253 HG SER 40 HG SER 40 6.145 0.084 3.636 254 H GLN 41 HN GLN 41 7.813 -2.345 2.699 255 HA GLN 41 HA GLN 41 9.519 -1.873 0.459 256 HB2 GLN 41 HB2 GLN 41 7.388 -3.820 1.163 257 HB3 GLN 41 HB1 GLN 41 7.720 -3.589 -0.548 258 HG2 GLN 41 HG2 GLN 41 10.230 -3.867 0.451 259 HG3 GLN 41 HG1 GLN 41 9.305 -4.920 1.520 260 HE21 GLN 41 HE21 GLN 41 7.765 -6.409 0.357 261 HE22 GLN 41 HE22 GLN 41 8.353 -7.167 -1.080 262 H CYS 42 HN CYS 42 6.268 -0.974 1.315 263 HA CYS 42 HA CYS 42 6.150 0.840 -0.934 264 HB2 CYS 42 HB2 CYS 42 3.960 -0.001 -1.722 265 HB3 CYS 42 HB1 CYS 42 5.253 -1.173 -1.956 266 H ASN 43 HN ASN 43 4.567 2.454 -0.703 267 HA ASN 43 HA ASN 43 3.864 2.980 2.042 268 HB2 ASN 43 HB2 ASN 43 2.880 5.102 1.032 269 HB3 ASN 43 HB1 ASN 43 4.616 4.879 0.834 270 HD21 ASN 43 HD21 ASN 43 5.218 5.615 -1.062 271 HD22 ASN 43 HD22 ASN 43 4.388 5.381 -2.559 272 H TYR 44 HN TYR 44 2.279 1.946 -0.876 273 HA TYR 44 HA TYR 44 0.067 0.856 0.436 274 HB2 TYR 44 HB2 TYR 44 -1.724 2.372 -0.118 275 HB3 TYR 44 HB1 TYR 44 -0.509 3.265 0.790 276 HD1 TYR 44 HD2 TYR 44 -1.644 2.564 -2.684 277 HD2 TYR 44 HD1 TYR 44 0.359 5.256 -0.070 278 HE1 TYR 44 HE2 TYR 44 -1.536 4.223 -4.490 279 HE2 TYR 44 HE1 TYR 44 0.471 6.928 -1.863 280 HH TYR 44 HH TYR 44 -0.690 7.478 -3.946 281 H GLY 45 HN GLY 45 -1.734 0.305 -1.196 282 HA2 GLY 45 HA2 GLY 45 -1.920 0.375 -3.791 283 HA3 GLY 45 HA1 GLY 45 -0.390 -0.482 -3.685 284 H GLU 46 HN GLU 46 -2.150 -1.815 -5.025 285 HA GLU 46 HA GLU 46 -4.075 -3.330 -3.691 286 HB2 GLU 46 HB2 GLU 46 -2.542 -3.627 -6.223 287 HB3 GLU 46 HB1 GLU 46 -3.390 -5.043 -5.617 288 HG2 GLU 46 HG2 GLU 46 -5.396 -4.233 -6.171 289 HG3 GLU 46 HG1 GLU 46 -5.000 -2.606 -5.621 290 H CYS 47 HN CYS 47 -0.635 -3.997 -4.234 291 HA CYS 47 HA CYS 47 -0.820 -6.471 -2.709 292 HB2 CYS 47 HB2 CYS 47 1.227 -5.202 -4.464 293 HB3 CYS 47 HB1 CYS 47 1.794 -6.313 -3.223 294 H CYS 48 HN CYS 48 -0.384 -3.239 -1.987 295 HA CYS 48 HA CYS 48 1.636 -3.517 0.023 296 HB2 CYS 48 HB2 CYS 48 0.639 -1.392 -1.328 297 HB3 CYS 48 HB1 CYS 48 -0.215 -1.223 0.202 298 H ASP 49 HN ASP 49 1.452 -3.934 2.124 299 HA ASP 49 HA ASP 49 -1.164 -3.856 3.414 300 HB2 ASP 49 HB2 ASP 49 -0.127 -6.258 2.468 301 HB3 ASP 49 HB1 ASP 49 0.295 -6.262 4.178 302 H GLN 50 HN GLN 50 -0.720 -2.407 4.960 303 HA GLN 50 HA GLN 50 0.125 -1.539 6.890 304 HB2 GLN 50 HB2 GLN 50 0.417 -4.210 7.267 305 HB3 GLN 50 HB1 GLN 50 2.095 -3.693 7.360 306 HG2 GLN 50 HG2 GLN 50 1.647 -3.345 9.516 307 HG3 GLN 50 HG1 GLN 50 0.887 -1.857 8.952 308 HE21 GLN 50 HE21 GLN 50 -1.443 -2.087 8.335 309 HE22 GLN 50 HE22 GLN 50 -2.432 -3.078 9.347 310 H CYS 51 HN CYS 51 2.922 -3.332 5.586 311 HA CYS 51 HA CYS 51 4.172 -0.969 4.581 312 HB2 CYS 51 HB2 CYS 51 4.719 -1.797 7.330 313 HB3 CYS 51 HB1 CYS 51 6.177 -1.686 6.349 314 H ARG 52 HN ARG 52 3.482 -3.688 3.743 315 HA ARG 52 HA ARG 52 5.996 -4.345 2.488 316 HB2 ARG 52 HB2 ARG 52 4.870 -5.966 4.685 317 HB3 ARG 52 HB1 ARG 52 5.358 -6.870 3.259 318 HG2 ARG 52 HG2 ARG 52 7.301 -4.886 4.231 319 HG3 ARG 52 HG1 ARG 52 7.004 -6.262 5.295 320 HD2 ARG 52 HD2 ARG 52 7.576 -7.807 3.549 321 HD3 ARG 52 HD1 ARG 52 7.689 -6.502 2.370 322 HE ARG 52 HE ARG 52 9.813 -6.097 3.095 323 HH11 ARG 52 HH11 ARG 52 8.141 -7.929 5.551 324 HH12 ARG 52 HH12 ARG 52 9.551 -8.136 6.534 325 HH21 ARG 52 HH21 ARG 52 11.669 -6.369 4.387 326 HH22 ARG 52 HH22 ARG 52 11.554 -7.250 5.873 327 H PHE 53 HN PHE 53 5.635 -6.384 1.033 328 HA PHE 53 HA PHE 53 3.182 -5.872 -0.442 329 HB2 PHE 53 HB2 PHE 53 5.696 -7.403 -1.077 330 HB3 PHE 53 HB1 PHE 53 4.262 -7.527 -2.092 331 HD1 PHE 53 HD2 PHE 53 3.405 -4.603 -1.730 332 HD2 PHE 53 HD1 PHE 53 7.119 -6.433 -2.710 333 HE1 PHE 53 HE2 PHE 53 4.078 -2.578 -2.924 334 HE2 PHE 53 HE1 PHE 53 7.804 -4.398 -3.912 335 HZ PHE 53 HZ PHE 53 6.283 -2.463 -4.023 336 H LYS 54 HN LYS 54 1.617 -7.367 -0.910 337 HA LYS 54 HA LYS 54 1.186 -9.391 1.044 338 HB2 LYS 54 HB2 LYS 54 -0.285 -8.189 -1.151 339 HB3 LYS 54 HB1 LYS 54 -0.520 -9.931 -1.109 340 HG2 LYS 54 HG2 LYS 54 -1.563 -9.877 0.938 341 HG3 LYS 54 HG1 LYS 54 -0.794 -8.360 1.408 342 HD2 LYS 54 HD2 LYS 54 -2.570 -8.237 -0.946 343 HD3 LYS 54 HD1 LYS 54 -3.358 -8.551 0.602 344 HE2 LYS 54 HE2 LYS 54 -1.710 -6.541 1.306 345 HE3 LYS 54 HE1 LYS 54 -1.995 -6.126 -0.383 346 HZ1 LYS 54 HZ1 LYS 54 -4.240 -6.758 1.427 347 HZ2 LYS 54 HZ2 LYS 54 -4.261 -5.883 -0.020 348 HZ3 LYS 54 HZ3 LYS 54 -3.581 -5.200 1.370 349 H LYS 55 HN LYS 55 2.225 -11.265 1.100 350 HA LYS 55 HA LYS 55 3.995 -12.338 -0.603 351 HB2 LYS 55 HB2 LYS 55 3.431 -13.274 1.614 352 HB3 LYS 55 HB1 LYS 55 1.963 -13.962 0.934 353 HG2 LYS 55 HG2 LYS 55 3.231 -15.795 0.701 354 HG3 LYS 55 HG1 LYS 55 3.805 -14.980 -0.755 355 HD2 LYS 55 HD2 LYS 55 5.201 -14.234 1.723 356 HD3 LYS 55 HD1 LYS 55 5.414 -15.913 1.224 357 HE2 LYS 55 HE2 LYS 55 7.066 -15.082 -0.053 358 HE3 LYS 55 HE1 LYS 55 5.753 -14.624 -1.137 359 HZ1 LYS 55 HZ1 LYS 55 6.369 -12.732 0.979 360 HZ2 LYS 55 HZ2 LYS 55 5.990 -12.455 -0.646 361 HZ3 LYS 55 HZ3 LYS 55 7.560 -12.911 -0.210 362 H ALA 56 HN ALA 56 4.055 -13.186 -2.575 363 HA ALA 56 HA ALA 56 2.123 -13.043 -4.447 364 HB1 ALA 56 HB1 ALA 56 4.438 -14.891 -4.158 365 HB2 ALA 56 HB2 ALA 56 4.138 -13.633 -5.358 366 HB3 ALA 56 HB3 ALA 56 3.278 -15.170 -5.458 367 H GLY 57 HN GLY 57 0.354 -14.118 -5.055 368 HA2 GLY 57 HA2 GLY 57 -0.904 -16.220 -5.173 369 HA3 GLY 57 HA1 GLY 57 -0.309 -16.587 -3.558 370 H THR 58 HN THR 58 -0.761 -13.520 -3.121 371 HA THR 58 HA THR 58 -3.367 -13.831 -1.939 372 HB THR 58 HB THR 58 -1.534 -11.426 -2.156 373 HG1 THR 58 HG1 THR 58 -0.698 -13.063 -0.844 374 HG21 THR 58 HG21 THR 58 -3.059 -10.149 -1.214 375 HG22 THR 58 HG22 THR 58 -3.351 -11.343 0.051 376 HG23 THR 58 HG23 THR 58 -4.236 -11.440 -1.474 377 H VAL 59 HN VAL 59 -5.195 -13.585 -3.074 378 HA VAL 59 HA VAL 59 -5.167 -12.406 -5.672 379 HB VAL 59 HB VAL 59 -6.653 -14.290 -5.179 380 HG11 VAL 59 HG11 VAL 59 -7.139 -13.192 -2.808 381 HG12 VAL 59 HG12 VAL 59 -8.255 -14.326 -3.570 382 HG13 VAL 59 HG13 VAL 59 -8.553 -12.591 -3.674 383 HG21 VAL 59 HG21 VAL 59 -8.754 -13.337 -6.132 384 HG22 VAL 59 HG22 VAL 59 -7.292 -12.907 -7.021 385 HG23 VAL 59 HG23 VAL 59 -8.046 -11.733 -5.943 386 H CYS 60 HN CYS 60 -5.379 -10.341 -6.174 387 HA CYS 60 HA CYS 60 -6.597 -8.528 -4.196 388 HB2 CYS 60 HB2 CYS 60 -4.931 -7.639 -6.536 389 HB3 CYS 60 HB1 CYS 60 -5.282 -6.769 -5.047 390 H ARG 61 HN ARG 61 -6.919 -9.791 -7.392 391 HA ARG 61 HA ARG 61 -9.419 -8.341 -7.727 392 HB2 ARG 61 HB2 ARG 61 -7.061 -7.494 -9.035 393 HB3 ARG 61 HB1 ARG 61 -8.051 -8.277 -10.259 394 HG2 ARG 61 HG2 ARG 61 -9.922 -6.761 -9.100 395 HG3 ARG 61 HG1 ARG 61 -8.504 -5.773 -8.761 396 HD2 ARG 61 HD2 ARG 61 -9.762 -6.477 -11.368 397 HD3 ARG 61 HD1 ARG 61 -9.152 -4.927 -10.798 398 HE ARG 61 HE ARG 61 -7.752 -6.773 -12.380 399 HH11 ARG 61 HH11 ARG 61 -7.247 -4.679 -9.630 400 HH12 ARG 61 HH12 ARG 61 -5.545 -4.531 -9.902 401 HH21 ARG 61 HH21 ARG 61 -5.519 -6.580 -12.734 402 HH22 ARG 61 HH22 ARG 61 -4.563 -5.605 -11.666 403 H ILE 62 HN ILE 62 -10.274 -9.022 -10.087 404 HA ILE 62 HA ILE 62 -9.662 -11.513 -11.152 405 HB ILE 62 HB ILE 62 -10.360 -12.497 -9.057 406 HG12 ILE 62 HG12 ILE 62 -12.197 -13.956 -9.864 407 HG13 ILE 62 HG11 ILE 62 -12.449 -12.856 -11.215 408 HG21 ILE 62 HG21 ILE 62 -12.288 -12.020 -7.913 409 HG22 ILE 62 HG22 ILE 62 -13.145 -11.497 -9.366 410 HG23 ILE 62 HG23 ILE 62 -11.934 -10.447 -8.628 411 HD11 ILE 62 HD11 ILE 62 -10.072 -13.316 -11.884 412 HD12 ILE 62 HD12 ILE 62 -11.188 -14.673 -12.030 413 HD13 ILE 62 HD13 ILE 62 -10.067 -14.597 -10.672 414 H ALA 63 HN ALA 63 -10.720 -11.751 -13.025 415 HA ALA 63 HA ALA 63 -12.307 -9.636 -13.973 416 HB1 ALA 63 HB1 ALA 63 -12.697 -11.824 -15.697 417 HB2 ALA 63 HB2 ALA 63 -11.049 -11.942 -15.081 418 HB3 ALA 63 HB3 ALA 63 -11.587 -10.470 -15.886 419 H ARG 64 HN ARG 64 -13.643 -12.813 -14.605 420 HA ARG 64 HA ARG 64 -15.895 -12.282 -12.826 421 HB2 ARG 64 HB2 ARG 64 -16.073 -12.524 -15.818 422 HB3 ARG 64 HB1 ARG 64 -17.439 -12.923 -14.787 423 HG2 ARG 64 HG2 ARG 64 -16.036 -10.260 -14.805 424 HG3 ARG 64 HG1 ARG 64 -17.515 -10.627 -15.695 425 HD2 ARG 64 HD2 ARG 64 -18.589 -11.230 -13.531 426 HD3 ARG 64 HD1 ARG 64 -17.133 -10.678 -12.705 427 HE ARG 64 HE ARG 64 -17.794 -8.512 -13.051 428 HH11 ARG 64 HH11 ARG 64 -19.693 -10.616 -15.086 429 HH12 ARG 64 HH12 ARG 64 -20.782 -9.364 -15.579 430 HH21 ARG 64 HH21 ARG 64 -19.226 -6.863 -13.698 431 HH22 ARG 64 HH22 ARG 64 -20.517 -7.233 -14.792 432 H GLY 65 HN GLY 65 -15.115 -14.104 -11.643 433 HA2 GLY 65 HA2 GLY 65 -16.135 -16.384 -11.424 434 HA3 GLY 65 HA1 GLY 65 -15.516 -16.672 -13.045 435 H ASP 66 HN ASP 66 -13.515 -17.429 -13.293 436 HA ASP 66 HA ASP 66 -11.335 -16.979 -11.640 437 HB2 ASP 66 HB2 ASP 66 -13.064 -18.568 -10.271 438 HB3 ASP 66 HB1 ASP 66 -12.078 -19.782 -11.080 439 H TRP 67 HN TRP 67 -10.302 -16.861 -13.580 440 HA TRP 67 HA TRP 67 -9.873 -19.415 -14.993 441 HB2 TRP 67 HB2 TRP 67 -9.155 -17.309 -16.724 442 HB3 TRP 67 HB1 TRP 67 -10.540 -18.383 -16.871 443 HD1 TRP 67 HD1 TRP 67 -9.745 -15.050 -14.979 444 HE1 TRP 67 HE1 TRP 67 -11.852 -13.606 -15.059 445 HE3 TRP 67 HE3 TRP 67 -12.837 -18.265 -17.466 446 HZ2 TRP 67 HZ2 TRP 67 -14.479 -13.780 -16.058 447 HZ3 TRP 67 HZ3 TRP 67 -15.141 -17.544 -17.955 448 HH2 TRP 67 HH2 TRP 67 -15.944 -15.343 -17.262 449 H ASN 68 HN ASN 68 -8.392 -16.226 -14.913 450 HA ASN 68 HA ASN 68 -5.747 -17.453 -14.559 451 HB2 ASN 68 HB2 ASN 68 -6.117 -14.574 -15.273 452 HB3 ASN 68 HB1 ASN 68 -4.817 -15.675 -15.717 453 HD21 ASN 68 HD21 ASN 68 -8.248 -15.012 -16.272 454 HD22 ASN 68 HD22 ASN 68 -8.277 -15.580 -17.903 455 H ASP 69 HN ASP 69 -8.054 -15.189 -13.282 456 HA ASP 69 HA ASP 69 -8.234 -14.120 -11.292 457 HB2 ASP 69 HB2 ASP 69 -6.249 -16.254 -10.638 458 HB3 ASP 69 HB1 ASP 69 -6.659 -15.026 -9.448 459 H ASP 70 HN ASP 70 -7.019 -12.848 -9.646 460 HA ASP 70 HA ASP 70 -4.636 -11.623 -10.845 461 HB2 ASP 70 HB2 ASP 70 -6.674 -10.151 -10.842 462 HB3 ASP 70 HB1 ASP 70 -6.676 -10.257 -9.088 463 H TYR 71 HN TYR 71 -2.862 -12.004 -9.679 464 HA TYR 71 HA TYR 71 -3.201 -12.286 -6.774 465 HB2 TYR 71 HB2 TYR 71 -1.843 -14.138 -8.690 466 HB3 TYR 71 HB1 TYR 71 -1.404 -14.102 -6.984 467 HD1 TYR 71 HD1 TYR 71 -3.275 -14.379 -5.303 468 HD2 TYR 71 HD2 TYR 71 -3.669 -15.416 -9.397 469 HE1 TYR 71 HE1 TYR 71 -5.144 -15.839 -4.724 470 HE2 TYR 71 HE2 TYR 71 -5.553 -16.888 -8.859 471 HH TYR 71 HH TYR 71 -6.264 -18.204 -6.549 472 H CYS 72 HN CYS 72 -1.620 -11.670 -5.469 473 HA CYS 72 HA CYS 72 0.142 -9.639 -6.284 474 HB2 CYS 72 HB2 CYS 72 -0.471 -11.130 -3.822 475 HB3 CYS 72 HB1 CYS 72 1.182 -10.528 -3.909 476 H THR 73 HN THR 73 2.524 -9.695 -6.051 477 HA THR 73 HA THR 73 3.627 -12.317 -6.818 478 HB THR 73 HB THR 73 5.165 -11.215 -8.313 479 HG1 THR 73 HG1 THR 73 3.951 -8.765 -7.572 480 HG21 THR 73 HG21 THR 73 2.979 -9.639 -9.286 481 HG22 THR 73 HG22 THR 73 2.411 -11.218 -8.742 482 HG23 THR 73 HG23 THR 73 3.690 -11.109 -9.952 483 H GLY 74 HN GLY 74 3.585 -10.087 -4.406 484 HA2 GLY 74 HA2 GLY 74 4.942 -9.656 -2.610 485 HA3 GLY 74 HA1 GLY 74 5.696 -11.202 -2.967 486 H LYS 75 HN LYS 75 5.776 -8.804 -5.439 487 HA LYS 75 HA LYS 75 8.481 -7.982 -4.660 488 HB2 LYS 75 HB2 LYS 75 9.360 -8.415 -6.858 489 HB3 LYS 75 HB1 LYS 75 8.625 -9.892 -6.248 490 HG2 LYS 75 HG2 LYS 75 7.223 -9.998 -7.962 491 HG3 LYS 75 HG1 LYS 75 6.718 -8.322 -7.738 492 HD2 LYS 75 HD2 LYS 75 8.124 -7.553 -9.328 493 HD3 LYS 75 HD1 LYS 75 9.402 -8.688 -8.891 494 HE2 LYS 75 HE2 LYS 75 8.697 -9.286 -11.069 495 HE3 LYS 75 HE1 LYS 75 8.010 -10.488 -9.979 496 HZ1 LYS 75 HZ1 LYS 75 6.485 -8.110 -10.861 497 HZ2 LYS 75 HZ2 LYS 75 5.893 -9.532 -10.160 498 HZ3 LYS 75 HZ3 LYS 75 6.488 -9.554 -11.743 499 H SER 76 HN SER 76 5.518 -6.918 -5.234 500 HA SER 76 HA SER 76 6.335 -4.269 -5.831 501 HB2 SER 76 HB2 SER 76 6.182 -5.712 -8.105 502 HB3 SER 76 HB1 SER 76 4.502 -5.194 -7.970 503 HG SER 76 HG SER 76 6.428 -3.802 -8.957 504 H SER 77 HN SER 77 4.410 -2.800 -6.079 505 HA SER 77 HA SER 77 2.369 -3.643 -4.193 506 HB2 SER 77 HB2 SER 77 1.946 -1.399 -3.831 507 HB3 SER 77 HB1 SER 77 3.631 -1.324 -4.345 508 HG SER 77 HG SER 77 1.304 -0.619 -5.748 509 H ASP 78 HN ASP 78 2.633 -4.306 -7.281 510 HA ASP 78 HA ASP 78 -0.134 -3.603 -7.982 511 HB2 ASP 78 HB2 ASP 78 2.335 -4.043 -9.607 512 HB3 ASP 78 HB1 ASP 78 0.770 -4.398 -10.332 513 H CYS 79 HN CYS 79 -1.552 -5.156 -8.710 514 HA CYS 79 HA CYS 79 -0.712 -7.957 -8.313 515 HB2 CYS 79 HB2 CYS 79 -2.676 -6.517 -6.927 516 HB3 CYS 79 HB1 CYS 79 -3.569 -7.544 -8.043 517 HA PRO 80 HA PRO 80 -1.927 -7.847 -12.707 518 HB2 PRO 80 HB2 PRO 80 -0.716 -10.185 -13.366 519 HB3 PRO 80 HB1 PRO 80 0.163 -8.657 -13.225 520 HG2 PRO 80 HG2 PRO 80 -0.087 -10.887 -11.240 521 HG3 PRO 80 HG1 PRO 80 1.355 -9.969 -11.715 522 HD2 PRO 80 HD2 PRO 80 -0.009 -9.434 -9.447 523 HD3 PRO 80 HD1 PRO 80 0.799 -8.164 -10.387 524 H TRP 81 HN TRP 81 -3.842 -8.510 -13.413 525 HA TRP 81 HA TRP 81 -5.141 -10.788 -12.153 526 HB2 TRP 81 HB2 TRP 81 -7.207 -9.974 -13.187 527 HB3 TRP 81 HB1 TRP 81 -6.429 -8.753 -12.194 528 HD1 TRP 81 HD1 TRP 81 -4.357 -8.298 -14.986 529 HE1 TRP 81 HE1 TRP 81 -5.300 -6.605 -16.676 530 HE3 TRP 81 HE3 TRP 81 -9.206 -8.301 -13.477 531 HZ2 TRP 81 HZ2 TRP 81 -7.796 -5.425 -17.277 532 HZ3 TRP 81 HZ3 TRP 81 -10.831 -6.867 -14.655 533 HH2 TRP 81 HH2 TRP 81 -10.133 -5.458 -16.526 534 H ASN 82 HN ASN 82 -3.546 -10.062 -14.994 535 HA ASN 82 HA ASN 82 -3.118 -11.208 -16.911 536 HB2 ASN 82 HB2 ASN 82 -4.378 -13.492 -15.376 537 HB3 ASN 82 HB1 ASN 82 -3.480 -13.659 -16.882 538 HD21 ASN 82 HD21 ASN 82 -2.155 -15.114 -15.604 539 HD22 ASN 82 HD22 ASN 82 -0.879 -14.461 -14.641 540 H HIS 83 HN HIS 83 -5.451 -9.666 -16.839 541 HA HIS 83 HA HIS 83 -7.125 -11.158 -18.738 542 HB2 HIS 83 HB2 HIS 83 -8.260 -9.227 -16.714 543 HB3 HIS 83 HB1 HIS 83 -9.144 -10.308 -17.787 544 HD1 HIS 83 HD1 HIS 83 -8.943 -10.122 -14.473 545 HD2 HIS 83 HD2 HIS 83 -7.596 -13.099 -17.034 546 HE1 HIS 83 HE1 HIS 83 -8.780 -12.197 -13.065 547 HE2 HIS 83 HE2 HIS 83 -7.869 -13.958 -14.617 Start of MODEL 15 1 H1 SER 1 HT1 SER 1 -4.915 16.265 18.450 2 H2 SER 1 HT2 SER 1 -6.014 16.134 19.761 3 H3 SER 1 HT3 SER 1 -5.105 14.768 19.262 4 HA SER 1 HA SER 1 -4.363 17.039 20.879 5 HB2 SER 1 HB2 SER 1 -4.192 14.112 20.852 6 HB3 SER 1 HB1 SER 1 -2.709 14.890 21.403 7 HG SER 1 HG SER 1 -5.319 15.139 22.464 8 HA PRO 2 HA PRO 2 -0.315 16.457 18.477 9 HB2 PRO 2 HB2 PRO 2 -0.016 14.503 16.676 10 HB3 PRO 2 HB1 PRO 2 0.081 14.179 18.409 11 HG2 PRO 2 HG2 PRO 2 -2.104 13.578 16.492 12 HG3 PRO 2 HG1 PRO 2 -1.611 12.701 17.948 13 HD2 PRO 2 HD2 PRO 2 -3.756 14.532 17.701 14 HD3 PRO 2 HD1 PRO 2 -3.125 13.824 19.199 15 HA PRO 3 HA PRO 3 -1.465 18.720 14.836 16 HB2 PRO 3 HB2 PRO 3 0.937 19.554 14.007 17 HB3 PRO 3 HB1 PRO 3 0.227 20.142 15.515 18 HG2 PRO 3 HG2 PRO 3 2.319 18.045 15.097 19 HG3 PRO 3 HG1 PRO 3 2.243 19.321 16.324 20 HD2 PRO 3 HD2 PRO 3 1.515 16.705 16.765 21 HD3 PRO 3 HD1 PRO 3 0.896 18.083 17.696 22 H VAL 4 HN VAL 4 -2.050 18.087 12.879 23 HA VAL 4 HA VAL 4 -1.141 15.754 11.682 24 HB VAL 4 HB VAL 4 -3.389 16.704 11.403 25 HG11 VAL 4 HG11 VAL 4 -3.867 18.682 10.333 26 HG12 VAL 4 HG12 VAL 4 -2.325 18.719 9.478 27 HG13 VAL 4 HG13 VAL 4 -2.387 19.090 11.200 28 HG21 VAL 4 HG21 VAL 4 -2.767 15.127 9.773 29 HG22 VAL 4 HG22 VAL 4 -1.787 16.309 8.902 30 HG23 VAL 4 HG23 VAL 4 -3.539 16.462 8.930 31 H CYS 5 HN CYS 5 1.085 15.895 11.441 32 HA CYS 5 HA CYS 5 2.395 18.083 10.197 33 HB2 CYS 5 HB2 CYS 5 3.878 15.616 9.834 34 HB3 CYS 5 HB1 CYS 5 4.281 17.018 10.806 35 H GLY 6 HN GLY 6 1.547 18.634 8.270 36 HA2 GLY 6 HA2 GLY 6 1.820 18.508 5.911 37 HA3 GLY 6 HA1 GLY 6 2.005 16.766 6.054 38 H ASN 7 HN ASN 7 -0.556 18.094 7.896 39 HA ASN 7 HA ASN 7 -2.820 17.924 7.778 40 HB2 ASN 7 HB2 ASN 7 -2.008 18.724 5.043 41 HB3 ASN 7 HB1 ASN 7 -3.605 17.984 5.153 42 HD21 ASN 7 HD21 ASN 7 -5.133 19.439 5.292 43 HD22 ASN 7 HD22 ASN 7 -5.053 20.937 6.149 44 H LYS 8 HN LYS 8 -4.472 16.361 7.479 45 HA LYS 8 HA LYS 8 -3.654 13.733 7.343 46 HB2 LYS 8 HB2 LYS 8 -5.842 13.159 7.656 47 HB3 LYS 8 HB1 LYS 8 -5.948 14.860 8.070 48 HG2 LYS 8 HG2 LYS 8 -7.776 14.556 6.706 49 HG3 LYS 8 HG1 LYS 8 -6.573 15.179 5.577 50 HD2 LYS 8 HD2 LYS 8 -7.124 13.394 4.325 51 HD3 LYS 8 HD1 LYS 8 -6.115 12.488 5.454 52 HE2 LYS 8 HE2 LYS 8 -9.035 12.959 5.972 53 HE3 LYS 8 HE1 LYS 8 -8.479 11.612 4.980 54 HZ1 LYS 8 HZ1 LYS 8 -7.819 12.126 7.827 55 HZ2 LYS 8 HZ2 LYS 8 -7.081 10.926 6.892 56 HZ3 LYS 8 HZ3 LYS 8 -8.741 10.851 7.205 57 H ILE 9 HN ILE 9 -2.542 12.906 5.713 58 HA ILE 9 HA ILE 9 -2.574 13.759 3.086 59 HB ILE 9 HB ILE 9 -1.799 11.444 2.431 60 HG12 ILE 9 HG12 ILE 9 -0.994 10.126 4.483 61 HG13 ILE 9 HG11 ILE 9 -2.190 11.046 5.391 62 HG21 ILE 9 HG21 ILE 9 -0.307 13.290 2.920 63 HG22 ILE 9 HG22 ILE 9 0.371 11.778 3.525 64 HG23 ILE 9 HG23 ILE 9 -0.390 12.912 4.635 65 HD11 ILE 9 HD11 ILE 9 -2.632 8.666 4.149 66 HD12 ILE 9 HD12 ILE 9 -3.240 9.820 2.963 67 HD13 ILE 9 HD13 ILE 9 -3.882 9.823 4.605 68 H LEU 10 HN LEU 10 -3.812 13.591 1.413 69 HA LEU 10 HA LEU 10 -6.324 12.163 1.706 70 HB2 LEU 10 HB2 LEU 10 -6.990 13.564 -0.279 71 HB3 LEU 10 HB1 LEU 10 -6.614 14.443 1.192 72 HG LEU 10 HG LEU 10 -5.748 15.326 -1.090 73 HD11 LEU 10 HD11 LEU 10 -3.417 15.652 0.371 74 HD12 LEU 10 HD12 LEU 10 -4.665 15.386 1.589 75 HD13 LEU 10 HD13 LEU 10 -4.845 16.687 0.412 76 HD21 LEU 10 HD21 LEU 10 -3.611 13.292 -0.468 77 HD22 LEU 10 HD22 LEU 10 -3.541 14.532 -1.720 78 HD23 LEU 10 HD23 LEU 10 -4.728 13.233 -1.830 79 H GLU 11 HN GLU 11 -3.534 11.191 0.750 80 HA GLU 11 HA GLU 11 -4.276 9.001 -0.720 81 HB2 GLU 11 HB2 GLU 11 -3.678 9.540 -3.025 82 HB3 GLU 11 HB1 GLU 11 -5.006 10.553 -2.486 83 HG2 GLU 11 HG2 GLU 11 -3.846 12.295 -3.201 84 HG3 GLU 11 HG1 GLU 11 -2.737 12.015 -1.857 85 H GLN 12 HN GLN 12 -2.424 9.438 1.239 86 HA GLN 12 HA GLN 12 0.105 8.940 -0.178 87 HB2 GLN 12 HB2 GLN 12 -0.131 10.360 2.463 88 HB3 GLN 12 HB1 GLN 12 1.327 10.113 1.529 89 HG2 GLN 12 HG2 GLN 12 -1.011 11.742 0.568 90 HG3 GLN 12 HG1 GLN 12 0.375 12.415 1.420 91 HE21 GLN 12 HE21 GLN 12 -0.883 11.470 -1.568 92 HE22 GLN 12 HE22 GLN 12 0.542 11.697 -2.515 93 H GLY 13 HN GLY 13 -0.897 8.804 3.223 94 HA2 GLY 13 HA2 GLY 13 -0.648 7.157 4.809 95 HA3 GLY 13 HA1 GLY 13 -1.126 6.058 3.523 96 H GLU 14 HN GLU 14 1.711 7.958 3.099 97 HA GLU 14 HA GLU 14 3.845 6.903 4.199 98 HB2 GLU 14 HB2 GLU 14 2.609 4.774 2.568 99 HB3 GLU 14 HB1 GLU 14 4.339 4.985 2.347 100 HG2 GLU 14 HG2 GLU 14 4.836 4.152 4.366 101 HG3 GLU 14 HG1 GLU 14 3.454 4.923 5.142 102 H ASP 15 HN ASP 15 2.276 7.765 1.294 103 HA ASP 15 HA ASP 15 4.412 8.051 -0.463 104 HB2 ASP 15 HB2 ASP 15 2.053 8.241 -1.125 105 HB3 ASP 15 HB1 ASP 15 1.916 9.737 -0.213 106 H CYS 16 HN CYS 16 2.947 10.545 1.648 107 HA CYS 16 HA CYS 16 5.200 11.646 2.699 108 HB2 CYS 16 HB2 CYS 16 6.294 12.271 0.797 109 HB3 CYS 16 HB1 CYS 16 4.811 12.430 -0.134 110 H ASP 17 HN ASP 17 4.753 13.358 4.008 111 HA ASP 17 HA ASP 17 3.612 14.991 5.095 112 HB2 ASP 17 HB2 ASP 17 2.849 15.326 2.378 113 HB3 ASP 17 HB1 ASP 17 1.398 15.512 3.358 114 H CYS 18 HN CYS 18 2.993 12.192 5.358 115 HA CYS 18 HA CYS 18 0.554 11.193 5.425 116 HB2 CYS 18 HB2 CYS 18 2.008 11.233 8.055 117 HB3 CYS 18 HB1 CYS 18 1.043 9.949 7.348 118 H GLY 19 HN GLY 19 1.488 13.916 7.469 119 HA2 GLY 19 HA2 GLY 19 0.163 15.418 8.623 120 HA3 GLY 19 HA1 GLY 19 -1.196 14.779 7.724 121 H SER 20 HN SER 20 -1.915 12.533 8.466 122 HA SER 20 HA SER 20 -2.858 12.722 11.035 123 HB2 SER 20 HB2 SER 20 -3.617 10.499 10.843 124 HB3 SER 20 HB1 SER 20 -3.626 11.146 9.204 125 HG SER 20 HG SER 20 -2.247 9.662 8.667 126 HA PRO 21 HA PRO 21 1.052 12.413 13.188 127 HB2 PRO 21 HB2 PRO 21 -0.942 12.402 15.414 128 HB3 PRO 21 HB1 PRO 21 0.547 13.340 15.240 129 HG2 PRO 21 HG2 PRO 21 -1.806 14.493 14.813 130 HG3 PRO 21 HG1 PRO 21 -0.426 14.852 13.761 131 HD2 PRO 21 HD2 PRO 21 -2.798 13.114 13.243 132 HD3 PRO 21 HD1 PRO 21 -1.920 14.171 12.123 133 H ALA 22 HN ALA 22 -1.736 10.326 13.444 134 HA ALA 22 HA ALA 22 -0.773 8.390 15.202 135 HB1 ALA 22 HB1 ALA 22 -2.263 7.384 12.864 136 HB2 ALA 22 HB2 ALA 22 -3.049 8.670 13.779 137 HB3 ALA 22 HB3 ALA 22 -2.577 7.175 14.587 138 H ASN 23 HN ASN 23 0.191 9.201 11.998 139 HA ASN 23 HA ASN 23 1.900 6.811 11.867 140 HB2 ASN 23 HB2 ASN 23 1.153 8.510 9.493 141 HB3 ASN 23 HB1 ASN 23 1.783 6.865 9.510 142 HD21 ASN 23 HD21 ASN 23 0.316 5.482 8.866 143 HD22 ASN 23 HD22 ASN 23 -1.368 5.522 9.250 144 H CYS 24 HN CYS 24 1.834 10.246 12.059 145 HA CYS 24 HA CYS 24 4.232 10.968 10.836 146 HB2 CYS 24 HB2 CYS 24 2.399 12.454 11.893 147 HB3 CYS 24 HB1 CYS 24 3.278 12.235 13.400 148 H GLN 25 HN GLN 25 5.766 9.354 11.210 149 HA GLN 25 HA GLN 25 7.612 8.475 12.205 150 HB2 GLN 25 HB2 GLN 25 7.233 10.428 14.468 151 HB3 GLN 25 HB1 GLN 25 8.726 9.679 13.922 152 HG2 GLN 25 HG2 GLN 25 8.530 10.948 11.804 153 HG3 GLN 25 HG1 GLN 25 7.119 11.768 12.471 154 HE21 GLN 25 HE21 GLN 25 7.862 12.251 15.028 155 HE22 GLN 25 HE22 GLN 25 9.220 13.318 15.068 156 H ASP 26 HN ASP 26 6.060 6.653 12.497 157 HA ASP 26 HA ASP 26 6.217 5.688 15.182 158 HB2 ASP 26 HB2 ASP 26 3.640 6.751 14.142 159 HB3 ASP 26 HB1 ASP 26 3.584 5.257 15.073 160 H ARG 27 HN ARG 27 3.766 4.952 12.720 161 HA ARG 27 HA ARG 27 4.437 2.175 12.793 162 HB2 ARG 27 HB2 ARG 27 2.136 2.815 12.478 163 HB3 ARG 27 HB1 ARG 27 2.539 3.740 11.040 164 HG2 ARG 27 HG2 ARG 27 1.509 1.671 10.397 165 HG3 ARG 27 HG1 ARG 27 3.207 1.645 9.919 166 HD2 ARG 27 HD2 ARG 27 3.015 -0.434 10.855 167 HD3 ARG 27 HD1 ARG 27 3.512 0.498 12.265 168 HE ARG 27 HE ARG 27 0.898 -0.667 11.764 169 HH11 ARG 27 HH11 ARG 27 2.832 1.471 13.740 170 HH12 ARG 27 HH12 ARG 27 1.729 1.434 15.072 171 HH21 ARG 27 HH21 ARG 27 -0.548 -0.711 13.518 172 HH22 ARG 27 HH22 ARG 27 -0.187 0.197 14.948 173 H CYS 28 HN CYS 28 3.919 3.764 9.687 174 HA CYS 28 HA CYS 28 6.678 3.275 8.899 175 HB2 CYS 28 HB2 CYS 28 4.314 1.984 7.529 176 HB3 CYS 28 HB1 CYS 28 5.943 2.028 6.865 177 H CYS 29 HN CYS 29 4.929 5.628 9.251 178 HA CYS 29 HA CYS 29 5.108 6.697 6.505 179 HB2 CYS 29 HB2 CYS 29 2.747 6.202 7.578 180 HB3 CYS 29 HB1 CYS 29 3.049 7.717 8.419 181 H ASN 30 HN ASN 30 5.842 8.752 6.255 182 HA ASN 30 HA ASN 30 6.876 10.069 8.675 183 HB2 ASN 30 HB2 ASN 30 7.990 9.849 5.898 184 HB3 ASN 30 HB1 ASN 30 8.443 11.179 6.940 185 HD21 ASN 30 HD21 ASN 30 8.512 9.903 9.383 186 HD22 ASN 30 HD22 ASN 30 9.796 8.750 9.387 187 H ALA 31 HN ALA 31 5.195 11.345 9.126 188 HA ALA 31 HA ALA 31 3.984 13.041 7.119 189 HB1 ALA 31 HB1 ALA 31 3.162 14.000 9.582 190 HB2 ALA 31 HB2 ALA 31 3.397 12.281 9.865 191 HB3 ALA 31 HB3 ALA 31 2.312 12.819 8.597 192 H ALA 32 HN ALA 32 6.593 13.084 9.308 193 HA ALA 32 HA ALA 32 6.920 15.997 9.083 194 HB1 ALA 32 HB1 ALA 32 8.534 15.792 10.887 195 HB2 ALA 32 HB2 ALA 32 8.381 14.035 10.852 196 HB3 ALA 32 HB3 ALA 32 7.012 15.031 11.350 197 H THR 33 HN THR 33 7.873 13.136 7.636 198 HA THR 33 HA THR 33 10.372 14.342 6.678 199 HB THR 33 HB THR 33 10.269 11.487 6.282 200 HG1 THR 33 HG1 THR 33 10.510 11.128 8.654 201 HG21 THR 33 HG21 THR 33 12.261 13.097 6.462 202 HG22 THR 33 HG22 THR 33 12.383 11.488 7.173 203 HG23 THR 33 HG23 THR 33 12.059 12.884 8.200 204 H CYS 34 HN CYS 34 7.327 13.889 5.739 205 HA CYS 34 HA CYS 34 6.238 13.615 3.764 206 HB2 CYS 34 HB2 CYS 34 7.170 15.720 3.282 207 HB3 CYS 34 HB1 CYS 34 8.768 15.046 2.999 208 H LYS 35 HN LYS 35 7.112 11.174 4.403 209 HA LYS 35 HA LYS 35 7.269 9.869 1.924 210 HB2 LYS 35 HB2 LYS 35 9.727 10.887 2.592 211 HB3 LYS 35 HB1 LYS 35 9.825 9.239 3.197 212 HG2 LYS 35 HG2 LYS 35 10.574 8.894 1.086 213 HG3 LYS 35 HG1 LYS 35 8.845 8.687 0.804 214 HD2 LYS 35 HD2 LYS 35 9.831 10.121 -0.900 215 HD3 LYS 35 HD1 LYS 35 8.686 11.027 0.091 216 HE2 LYS 35 HE2 LYS 35 10.290 12.360 0.953 217 HE3 LYS 35 HE1 LYS 35 11.474 11.056 1.034 218 HZ1 LYS 35 HZ1 LYS 35 12.368 12.351 -0.598 219 HZ2 LYS 35 HZ2 LYS 35 10.871 12.885 -1.176 220 HZ3 LYS 35 HZ3 LYS 35 11.415 11.328 -1.550 221 H LEU 36 HN LEU 36 8.198 7.512 2.283 222 HA LEU 36 HA LEU 36 6.760 6.474 4.612 223 HB2 LEU 36 HB2 LEU 36 6.867 4.314 3.526 224 HB3 LEU 36 HB1 LEU 36 6.247 5.511 2.405 225 HG LEU 36 HG LEU 36 9.161 5.034 2.288 226 HD11 LEU 36 HD11 LEU 36 8.652 3.032 0.762 227 HD12 LEU 36 HD12 LEU 36 7.123 2.936 1.636 228 HD13 LEU 36 HD13 LEU 36 8.648 2.773 2.507 229 HD21 LEU 36 HD21 LEU 36 7.421 6.433 0.799 230 HD22 LEU 36 HD22 LEU 36 7.394 4.899 -0.072 231 HD23 LEU 36 HD23 LEU 36 8.919 5.754 0.161 232 H THR 37 HN THR 37 7.764 5.192 6.186 233 HA THR 37 HA THR 37 10.613 5.665 6.430 234 HB THR 37 HB THR 37 10.311 4.655 8.698 235 HG1 THR 37 HG1 THR 37 8.427 3.404 8.017 236 HG21 THR 37 HG21 THR 37 10.134 7.024 8.529 237 HG22 THR 37 HG22 THR 37 8.871 6.435 9.610 238 HG23 THR 37 HG23 THR 37 8.469 6.905 7.958 239 HA PRO 38 HA PRO 38 12.609 1.896 5.410 240 HB2 PRO 38 HB2 PRO 38 13.092 1.702 8.367 241 HB3 PRO 38 HB1 PRO 38 14.216 1.405 7.032 242 HG2 PRO 38 HG2 PRO 38 14.309 3.698 8.347 243 HG3 PRO 38 HG1 PRO 38 14.473 3.678 6.581 244 HD2 PRO 38 HD2 PRO 38 12.181 4.546 8.260 245 HD3 PRO 38 HD1 PRO 38 12.689 5.116 6.658 246 H GLY 39 HN GLY 39 12.242 -0.303 5.374 247 HA2 GLY 39 HA2 GLY 39 11.311 -2.343 6.102 248 HA3 GLY 39 HA1 GLY 39 10.357 -1.459 7.286 249 H SER 40 HN SER 40 9.207 0.456 5.595 250 HA SER 40 HA SER 40 7.027 -1.022 4.546 251 HB2 SER 40 HB2 SER 40 7.370 1.562 5.366 252 HB3 SER 40 HB1 SER 40 7.336 1.761 3.614 253 HG SER 40 HG SER 40 5.297 1.142 3.564 254 H GLN 41 HN GLN 41 7.126 -2.182 2.732 255 HA GLN 41 HA GLN 41 9.069 -1.705 0.696 256 HB2 GLN 41 HB2 GLN 41 6.709 -3.564 0.921 257 HB3 GLN 41 HB1 GLN 41 7.661 -3.459 -0.554 258 HG2 GLN 41 HG2 GLN 41 9.094 -3.904 2.007 259 HG3 GLN 41 HG1 GLN 41 8.176 -5.242 1.317 260 HE21 GLN 41 HE21 GLN 41 8.565 -5.390 -1.175 261 HE22 GLN 41 HE22 GLN 41 10.229 -5.387 -1.641 262 H CYS 42 HN CYS 42 5.699 -0.911 1.156 263 HA CYS 42 HA CYS 42 5.847 0.940 -1.081 264 HB2 CYS 42 HB2 CYS 42 3.641 0.144 -1.968 265 HB3 CYS 42 HB1 CYS 42 4.968 -0.987 -2.205 266 H ASN 43 HN ASN 43 4.308 2.607 -0.982 267 HA ASN 43 HA ASN 43 3.489 3.249 1.679 268 HB2 ASN 43 HB2 ASN 43 2.448 5.276 0.505 269 HB3 ASN 43 HB1 ASN 43 4.196 5.099 0.386 270 HD21 ASN 43 HD21 ASN 43 1.962 6.305 -1.321 271 HD22 ASN 43 HD22 ASN 43 2.317 5.730 -2.910 272 H TYR 44 HN TYR 44 1.972 2.010 -1.184 273 HA TYR 44 HA TYR 44 -0.202 0.868 0.114 274 HB2 TYR 44 HB2 TYR 44 -2.063 2.308 -0.548 275 HB3 TYR 44 HB1 TYR 44 -0.954 3.192 0.493 276 HD1 TYR 44 HD1 TYR 44 -1.696 2.609 -3.115 277 HD2 TYR 44 HD2 TYR 44 -0.209 5.282 -0.167 278 HE1 TYR 44 HE1 TYR 44 -1.503 4.358 -4.820 279 HE2 TYR 44 HE2 TYR 44 -0.004 7.051 -1.851 280 HH TYR 44 HH TYR 44 -1.449 7.311 -4.427 281 H GLY 45 HN GLY 45 -2.090 0.529 -1.661 282 HA2 GLY 45 HA2 GLY 45 -2.171 0.532 -4.217 283 HA3 GLY 45 HA1 GLY 45 -0.636 -0.310 -4.084 284 H GLU 46 HN GLU 46 -2.197 -1.695 -5.482 285 HA GLU 46 HA GLU 46 -4.179 -3.258 -4.217 286 HB2 GLU 46 HB2 GLU 46 -2.629 -3.427 -6.754 287 HB3 GLU 46 HB1 GLU 46 -3.479 -4.869 -6.214 288 HG2 GLU 46 HG2 GLU 46 -4.780 -3.498 -7.795 289 HG3 GLU 46 HG1 GLU 46 -5.579 -3.718 -6.239 290 H CYS 47 HN CYS 47 -0.709 -3.574 -4.417 291 HA CYS 47 HA CYS 47 -0.866 -6.200 -3.091 292 HB2 CYS 47 HB2 CYS 47 1.062 -4.951 -4.966 293 HB3 CYS 47 HB1 CYS 47 1.732 -6.011 -3.734 294 H CYS 48 HN CYS 48 -0.976 -3.332 -1.919 295 HA CYS 48 HA CYS 48 1.382 -3.478 -0.195 296 HB2 CYS 48 HB2 CYS 48 0.215 -1.339 -1.406 297 HB3 CYS 48 HB1 CYS 48 -0.499 -1.249 0.200 298 H ASP 49 HN ASP 49 1.310 -3.755 1.973 299 HA ASP 49 HA ASP 49 -1.225 -3.866 3.372 300 HB2 ASP 49 HB2 ASP 49 -0.608 -6.175 2.261 301 HB3 ASP 49 HB1 ASP 49 0.493 -6.302 3.629 302 H GLN 50 HN GLN 50 -0.735 -2.513 4.973 303 HA GLN 50 HA GLN 50 0.216 -1.651 6.841 304 HB2 GLN 50 HB2 GLN 50 1.545 -4.361 6.886 305 HB3 GLN 50 HB1 GLN 50 1.747 -3.168 8.161 306 HG2 GLN 50 HG2 GLN 50 -1.038 -3.739 7.456 307 HG3 GLN 50 HG1 GLN 50 -0.148 -5.105 8.126 308 HE21 GLN 50 HE21 GLN 50 1.095 -4.612 10.142 309 HE22 GLN 50 HE22 GLN 50 0.335 -3.588 11.308 310 H CYS 51 HN CYS 51 3.048 -3.551 5.871 311 HA CYS 51 HA CYS 51 4.369 -1.196 4.805 312 HB2 CYS 51 HB2 CYS 51 5.706 -2.670 7.069 313 HB3 CYS 51 HB1 CYS 51 6.171 -1.137 6.343 314 H ARG 52 HN ARG 52 3.530 -3.818 3.803 315 HA ARG 52 HA ARG 52 6.000 -4.533 2.502 316 HB2 ARG 52 HB2 ARG 52 5.700 -5.862 4.772 317 HB3 ARG 52 HB1 ARG 52 4.617 -6.842 3.793 318 HG2 ARG 52 HG2 ARG 52 6.362 -7.972 3.044 319 HG3 ARG 52 HG1 ARG 52 6.965 -6.498 2.283 320 HD2 ARG 52 HD2 ARG 52 7.447 -6.907 5.193 321 HD3 ARG 52 HD1 ARG 52 8.411 -7.830 4.041 322 HE ARG 52 HE ARG 52 8.321 -5.012 3.480 323 HH11 ARG 52 HH11 ARG 52 9.947 -7.519 5.283 324 HH12 ARG 52 HH12 ARG 52 11.421 -6.625 5.439 325 HH21 ARG 52 HH21 ARG 52 10.260 -3.834 3.683 326 HH22 ARG 52 HH22 ARG 52 11.599 -4.532 4.531 327 H PHE 53 HN PHE 53 5.631 -6.245 0.818 328 HA PHE 53 HA PHE 53 3.181 -5.659 -0.566 329 HB2 PHE 53 HB2 PHE 53 5.611 -7.299 -1.239 330 HB3 PHE 53 HB1 PHE 53 4.173 -7.350 -2.253 331 HD1 PHE 53 HD2 PHE 53 3.363 -4.466 -2.026 332 HD2 PHE 53 HD1 PHE 53 7.146 -6.299 -2.684 333 HE1 PHE 53 HE2 PHE 53 4.124 -2.454 -3.205 334 HE2 PHE 53 HE1 PHE 53 7.918 -4.282 -3.867 335 HZ PHE 53 HZ PHE 53 6.406 -2.356 -4.130 336 H LYS 54 HN LYS 54 1.537 -7.081 -1.122 337 HA LYS 54 HA LYS 54 0.878 -9.043 0.795 338 HB2 LYS 54 HB2 LYS 54 -0.276 -8.043 -1.734 339 HB3 LYS 54 HB1 LYS 54 -0.719 -9.690 -1.308 340 HG2 LYS 54 HG2 LYS 54 -1.999 -9.042 0.427 341 HG3 LYS 54 HG1 LYS 54 -0.929 -7.706 0.858 342 HD2 LYS 54 HD2 LYS 54 -1.826 -6.711 -1.416 343 HD3 LYS 54 HD1 LYS 54 -3.182 -7.792 -1.088 344 HE2 LYS 54 HE2 LYS 54 -3.729 -6.695 0.900 345 HE3 LYS 54 HE1 LYS 54 -2.149 -5.920 1.013 346 HZ1 LYS 54 HZ1 LYS 54 -4.231 -5.301 -1.014 347 HZ2 LYS 54 HZ2 LYS 54 -2.722 -4.548 -0.888 348 HZ3 LYS 54 HZ3 LYS 54 -3.867 -4.357 0.342 349 H LYS 55 HN LYS 55 2.046 -10.842 1.040 350 HA LYS 55 HA LYS 55 3.831 -12.078 -0.505 351 HB2 LYS 55 HB2 LYS 55 3.179 -12.850 1.742 352 HB3 LYS 55 HB1 LYS 55 1.712 -13.549 1.070 353 HG2 LYS 55 HG2 LYS 55 2.793 -15.332 0.202 354 HG3 LYS 55 HG1 LYS 55 4.256 -14.412 -0.153 355 HD2 LYS 55 HD2 LYS 55 4.568 -14.337 2.404 356 HD3 LYS 55 HD1 LYS 55 3.387 -15.648 2.438 357 HE2 LYS 55 HE2 LYS 55 5.325 -16.858 2.321 358 HE3 LYS 55 HE1 LYS 55 4.971 -16.674 0.604 359 HZ1 LYS 55 HZ1 LYS 55 6.686 -15.243 0.307 360 HZ2 LYS 55 HZ2 LYS 55 7.326 -16.112 1.609 361 HZ3 LYS 55 HZ3 LYS 55 6.600 -14.608 1.873 362 H ALA 56 HN ALA 56 3.959 -13.025 -2.424 363 HA ALA 56 HA ALA 56 2.121 -13.012 -4.387 364 HB1 ALA 56 HB1 ALA 56 4.374 -14.888 -3.850 365 HB2 ALA 56 HB2 ALA 56 4.193 -13.679 -5.121 366 HB3 ALA 56 HB3 ALA 56 3.294 -15.196 -5.211 367 H GLY 57 HN GLY 57 0.255 -13.958 -4.843 368 HA2 GLY 57 HA2 GLY 57 -1.019 -16.072 -4.956 369 HA3 GLY 57 HA1 GLY 57 -0.468 -16.388 -3.315 370 H THR 58 HN THR 58 -0.888 -13.273 -3.067 371 HA THR 58 HA THR 58 -3.487 -13.494 -1.861 372 HB THR 58 HB THR 58 -1.689 -11.092 -2.281 373 HG1 THR 58 HG1 THR 58 -0.621 -12.039 -0.750 374 HG21 THR 58 HG21 THR 58 -4.349 -11.052 -1.563 375 HG22 THR 58 HG22 THR 58 -3.155 -9.782 -1.270 376 HG23 THR 58 HG23 THR 58 -3.489 -10.985 -0.023 377 H VAL 59 HN VAL 59 -5.201 -13.609 -3.211 378 HA VAL 59 HA VAL 59 -5.288 -12.489 -5.793 379 HB VAL 59 HB VAL 59 -6.754 -14.348 -5.098 380 HG11 VAL 59 HG11 VAL 59 -7.271 -12.896 -2.872 381 HG12 VAL 59 HG12 VAL 59 -8.255 -14.250 -3.428 382 HG13 VAL 59 HG13 VAL 59 -8.731 -12.597 -3.815 383 HG21 VAL 59 HG21 VAL 59 -8.792 -13.573 -6.216 384 HG22 VAL 59 HG22 VAL 59 -7.341 -13.032 -7.062 385 HG23 VAL 59 HG23 VAL 59 -8.245 -11.905 -6.050 386 H CYS 60 HN CYS 60 -5.372 -10.398 -6.318 387 HA CYS 60 HA CYS 60 -6.620 -8.528 -4.422 388 HB2 CYS 60 HB2 CYS 60 -4.928 -7.707 -6.765 389 HB3 CYS 60 HB1 CYS 60 -5.293 -6.797 -5.305 390 H ARG 61 HN ARG 61 -6.967 -9.913 -7.542 391 HA ARG 61 HA ARG 61 -9.424 -8.429 -7.978 392 HB2 ARG 61 HB2 ARG 61 -7.135 -7.447 -9.111 393 HB3 ARG 61 HB1 ARG 61 -7.749 -8.481 -10.391 394 HG2 ARG 61 HG2 ARG 61 -9.992 -7.237 -9.950 395 HG3 ARG 61 HG1 ARG 61 -8.948 -6.025 -9.204 396 HD2 ARG 61 HD2 ARG 61 -9.146 -6.877 -12.050 397 HD3 ARG 61 HD1 ARG 61 -9.001 -5.258 -11.368 398 HE ARG 61 HE ARG 61 -6.856 -7.054 -12.075 399 HH11 ARG 61 HH11 ARG 61 -7.778 -4.240 -10.226 400 HH12 ARG 61 HH12 ARG 61 -6.158 -3.644 -10.095 401 HH21 ARG 61 HH21 ARG 61 -4.730 -6.280 -11.892 402 HH22 ARG 61 HH22 ARG 61 -4.426 -4.801 -11.044 403 H ILE 62 HN ILE 62 -10.216 -9.138 -10.357 404 HA ILE 62 HA ILE 62 -9.598 -11.644 -11.379 405 HB ILE 62 HB ILE 62 -10.328 -12.632 -9.316 406 HG12 ILE 62 HG12 ILE 62 -12.224 -14.022 -10.085 407 HG13 ILE 62 HG11 ILE 62 -12.499 -12.897 -11.410 408 HG21 ILE 62 HG21 ILE 62 -11.843 -10.485 -8.938 409 HG22 ILE 62 HG22 ILE 62 -12.137 -12.008 -8.097 410 HG23 ILE 62 HG23 ILE 62 -13.088 -11.589 -9.523 411 HD11 ILE 62 HD11 ILE 62 -10.058 -13.430 -12.055 412 HD12 ILE 62 HD12 ILE 62 -11.322 -14.608 -12.410 413 HD13 ILE 62 HD13 ILE 62 -10.268 -14.838 -11.014 414 H ALA 63 HN ALA 63 -10.634 -11.896 -13.275 415 HA ALA 63 HA ALA 63 -12.135 -9.794 -14.327 416 HB1 ALA 63 HB1 ALA 63 -11.109 -12.300 -15.276 417 HB2 ALA 63 HB2 ALA 63 -11.451 -10.818 -16.164 418 HB3 ALA 63 HB3 ALA 63 -12.724 -12.010 -15.921 419 H ARG 64 HN ARG 64 -13.705 -12.905 -14.733 420 HA ARG 64 HA ARG 64 -15.886 -12.087 -12.970 421 HB2 ARG 64 HB2 ARG 64 -16.182 -12.628 -15.923 422 HB3 ARG 64 HB1 ARG 64 -17.537 -12.656 -14.803 423 HG2 ARG 64 HG2 ARG 64 -15.753 -10.293 -15.355 424 HG3 ARG 64 HG1 ARG 64 -17.390 -10.528 -15.971 425 HD2 ARG 64 HD2 ARG 64 -16.566 -10.211 -13.088 426 HD3 ARG 64 HD1 ARG 64 -17.449 -9.042 -14.069 427 HE ARG 64 HE ARG 64 -18.517 -11.362 -12.752 428 HH11 ARG 64 HH11 ARG 64 -18.971 -9.095 -15.365 429 HH12 ARG 64 HH12 ARG 64 -20.681 -9.351 -15.457 430 HH21 ARG 64 HH21 ARG 64 -20.766 -11.702 -12.872 431 HH22 ARG 64 HH22 ARG 64 -21.701 -10.831 -14.042 432 H GLY 65 HN GLY 65 -15.228 -13.871 -11.666 433 HA2 GLY 65 HA2 GLY 65 -16.432 -16.049 -11.294 434 HA3 GLY 65 HA1 GLY 65 -15.806 -16.502 -12.873 435 H ASP 66 HN ASP 66 -13.856 -17.421 -13.011 436 HA ASP 66 HA ASP 66 -11.687 -16.983 -11.336 437 HB2 ASP 66 HB2 ASP 66 -13.539 -18.333 -9.891 438 HB3 ASP 66 HB1 ASP 66 -12.650 -19.679 -10.596 439 H TRP 67 HN TRP 67 -10.622 -17.072 -13.267 440 HA TRP 67 HA TRP 67 -10.308 -19.751 -14.459 441 HB2 TRP 67 HB2 TRP 67 -9.454 -17.830 -16.339 442 HB3 TRP 67 HB1 TRP 67 -10.889 -18.845 -16.428 443 HD1 TRP 67 HD1 TRP 67 -9.951 -15.422 -14.793 444 HE1 TRP 67 HE1 TRP 67 -11.982 -13.881 -15.019 445 HE3 TRP 67 HE3 TRP 67 -13.172 -18.664 -17.063 446 HZ2 TRP 67 HZ2 TRP 67 -14.603 -14.007 -16.040 447 HZ3 TRP 67 HZ3 TRP 67 -15.432 -17.873 -17.642 448 HH2 TRP 67 HH2 TRP 67 -16.132 -15.588 -17.139 449 H ASN 68 HN ASN 68 -8.656 -16.648 -14.614 450 HA ASN 68 HA ASN 68 -6.087 -17.985 -14.150 451 HB2 ASN 68 HB2 ASN 68 -6.331 -15.131 -15.036 452 HB3 ASN 68 HB1 ASN 68 -5.060 -16.299 -15.385 453 HD21 ASN 68 HD21 ASN 68 -8.430 -15.502 -16.067 454 HD22 ASN 68 HD22 ASN 68 -8.462 -16.197 -17.648 455 H ASP 69 HN ASP 69 -8.218 -15.438 -13.066 456 HA ASP 69 HA ASP 69 -8.371 -14.257 -11.139 457 HB2 ASP 69 HB2 ASP 69 -6.731 -16.607 -10.278 458 HB3 ASP 69 HB1 ASP 69 -7.046 -15.288 -9.156 459 H ASP 70 HN ASP 70 -7.430 -12.571 -10.087 460 HA ASP 70 HA ASP 70 -4.809 -11.780 -11.049 461 HB2 ASP 70 HB2 ASP 70 -6.800 -10.216 -11.028 462 HB3 ASP 70 HB1 ASP 70 -6.707 -10.247 -9.275 463 H TYR 71 HN TYR 71 -2.991 -12.047 -9.868 464 HA TYR 71 HA TYR 71 -3.294 -12.256 -6.954 465 HB2 TYR 71 HB2 TYR 71 -2.025 -14.217 -8.814 466 HB3 TYR 71 HB1 TYR 71 -1.457 -14.075 -7.150 467 HD1 TYR 71 HD2 TYR 71 -3.182 -14.268 -5.310 468 HD2 TYR 71 HD1 TYR 71 -3.911 -15.492 -9.302 469 HE1 TYR 71 HE2 TYR 71 -5.025 -15.669 -4.517 470 HE2 TYR 71 HE1 TYR 71 -5.774 -16.891 -8.547 471 HH TYR 71 HH TYR 71 -6.224 -18.017 -5.767 472 H CYS 72 HN CYS 72 -1.611 -11.699 -5.686 473 HA CYS 72 HA CYS 72 0.179 -9.736 -6.737 474 HB2 CYS 72 HB2 CYS 72 -0.912 -9.827 -4.403 475 HB3 CYS 72 HB1 CYS 72 0.368 -10.966 -3.997 476 H THR 73 HN THR 73 2.547 -9.814 -6.298 477 HA THR 73 HA THR 73 3.594 -12.545 -6.650 478 HB THR 73 HB THR 73 5.137 -11.801 -8.262 479 HG1 THR 73 HG1 THR 73 4.418 -9.122 -7.688 480 HG21 THR 73 HG21 THR 73 3.814 -11.271 -9.993 481 HG22 THR 73 HG22 THR 73 3.078 -9.905 -9.152 482 HG23 THR 73 HG23 THR 73 2.523 -11.547 -8.822 483 H GLY 74 HN GLY 74 3.492 -10.015 -4.558 484 HA2 GLY 74 HA2 GLY 74 4.717 -9.451 -2.707 485 HA3 GLY 74 HA1 GLY 74 5.521 -11.002 -2.891 486 H LYS 75 HN LYS 75 5.664 -8.761 -5.522 487 HA LYS 75 HA LYS 75 8.354 -7.915 -4.696 488 HB2 LYS 75 HB2 LYS 75 7.672 -8.824 -7.493 489 HB3 LYS 75 HB1 LYS 75 9.255 -8.366 -6.881 490 HG2 LYS 75 HG2 LYS 75 9.661 -10.444 -6.240 491 HG3 LYS 75 HG1 LYS 75 8.188 -10.476 -5.270 492 HD2 LYS 75 HD2 LYS 75 7.727 -12.169 -6.736 493 HD3 LYS 75 HD1 LYS 75 7.057 -10.806 -7.633 494 HE2 LYS 75 HE2 LYS 75 9.916 -11.564 -8.031 495 HE3 LYS 75 HE1 LYS 75 8.653 -12.519 -8.807 496 HZ1 LYS 75 HZ1 LYS 75 7.850 -10.102 -9.479 497 HZ2 LYS 75 HZ2 LYS 75 8.962 -10.973 -10.409 498 HZ3 LYS 75 HZ3 LYS 75 9.505 -9.782 -9.338 499 H SER 76 HN SER 76 5.403 -6.819 -5.330 500 HA SER 76 HA SER 76 6.271 -4.186 -5.910 501 HB2 SER 76 HB2 SER 76 6.501 -5.141 -8.181 502 HB3 SER 76 HB1 SER 76 4.796 -5.589 -8.151 503 HG SER 76 HG SER 76 5.976 -3.116 -8.512 504 H SER 77 HN SER 77 4.353 -2.710 -6.350 505 HA SER 77 HA SER 77 2.231 -3.446 -4.506 506 HB2 SER 77 HB2 SER 77 3.546 -1.129 -4.795 507 HB3 SER 77 HB1 SER 77 2.203 -0.815 -5.894 508 HG SER 77 HG SER 77 2.159 -1.305 -3.124 509 H ASP 78 HN ASP 78 2.614 -4.256 -7.536 510 HA ASP 78 HA ASP 78 -0.130 -3.591 -8.364 511 HB2 ASP 78 HB2 ASP 78 0.699 -4.287 -10.667 512 HB3 ASP 78 HB1 ASP 78 1.382 -2.799 -10.018 513 H CYS 79 HN CYS 79 -1.527 -5.206 -8.985 514 HA CYS 79 HA CYS 79 -0.633 -7.963 -8.438 515 HB2 CYS 79 HB2 CYS 79 -2.580 -6.518 -7.098 516 HB3 CYS 79 HB1 CYS 79 -3.510 -7.513 -8.214 517 HA PRO 80 HA PRO 80 -1.662 -8.154 -12.886 518 HB2 PRO 80 HB2 PRO 80 -0.757 -10.750 -13.137 519 HB3 PRO 80 HB1 PRO 80 0.251 -9.313 -13.329 520 HG2 PRO 80 HG2 PRO 80 -0.067 -11.104 -10.957 521 HG3 PRO 80 HG1 PRO 80 1.402 -10.350 -11.606 522 HD2 PRO 80 HD2 PRO 80 0.158 -9.370 -9.441 523 HD3 PRO 80 HD1 PRO 80 0.930 -8.300 -10.630 524 H TRP 81 HN TRP 81 -3.393 -9.045 -13.942 525 HA TRP 81 HA TRP 81 -5.376 -10.363 -12.330 526 HB2 TRP 81 HB2 TRP 81 -5.638 -9.999 -15.290 527 HB3 TRP 81 HB1 TRP 81 -6.898 -10.034 -14.068 528 HD1 TRP 81 HD1 TRP 81 -3.876 -7.587 -13.922 529 HE1 TRP 81 HE1 TRP 81 -4.819 -5.203 -14.099 530 HE3 TRP 81 HE3 TRP 81 -8.746 -8.737 -14.813 531 HZ2 TRP 81 HZ2 TRP 81 -7.319 -3.973 -14.572 532 HZ3 TRP 81 HZ3 TRP 81 -10.370 -6.904 -15.123 533 HH2 TRP 81 HH2 TRP 81 -9.665 -4.568 -15.003 534 H ASN 82 HN ASN 82 -3.167 -11.176 -14.840 535 HA ASN 82 HA ASN 82 -2.301 -13.221 -15.426 536 HB2 ASN 82 HB2 ASN 82 -3.283 -14.061 -13.183 537 HB3 ASN 82 HB1 ASN 82 -4.642 -14.623 -14.150 538 HD21 ASN 82 HD21 ASN 82 -2.237 -15.844 -12.627 539 HD22 ASN 82 HD22 ASN 82 -1.668 -17.055 -13.720 540 H HIS 83 HN HIS 83 -4.244 -11.508 -16.755 541 HA HIS 83 HA HIS 83 -5.612 -13.467 -18.471 542 HB2 HIS 83 HB2 HIS 83 -6.259 -10.606 -17.768 543 HB3 HIS 83 HB1 HIS 83 -6.979 -11.406 -19.164 544 HD1 HIS 83 HD1 HIS 83 -8.799 -13.141 -18.721 545 HD2 HIS 83 HD2 HIS 83 -7.105 -11.599 -15.257 546 HE1 HIS 83 HE1 HIS 83 -10.263 -13.938 -16.841 547 HE2 HIS 83 HE2 HIS 83 -9.173 -13.062 -14.749 Start of MODEL 16 1 H1 SER 1 HT1 SER 1 -9.054 13.111 17.527 2 H2 SER 1 HT2 SER 1 -8.436 12.301 18.909 3 H3 SER 1 HT3 SER 1 -8.602 11.461 17.422 4 HA SER 1 HA SER 1 -6.687 13.543 18.177 5 HB2 SER 1 HB2 SER 1 -6.689 10.661 17.447 6 HB3 SER 1 HB1 SER 1 -5.331 11.622 16.863 7 HG SER 1 HG SER 1 -4.674 11.025 18.829 8 HA PRO 2 HA PRO 2 -8.153 14.876 13.950 9 HB2 PRO 2 HB2 PRO 2 -6.695 17.263 14.985 10 HB3 PRO 2 HB1 PRO 2 -8.237 17.171 14.126 11 HG2 PRO 2 HG2 PRO 2 -8.175 17.618 16.748 12 HG3 PRO 2 HG1 PRO 2 -9.416 16.573 16.032 13 HD2 PRO 2 HD2 PRO 2 -6.975 15.832 17.581 14 HD3 PRO 2 HD1 PRO 2 -8.577 15.067 17.562 15 HA PRO 3 HA PRO 3 -4.209 14.409 11.966 16 HB2 PRO 3 HB2 PRO 3 -4.618 15.599 9.618 17 HB3 PRO 3 HB1 PRO 3 -5.555 14.173 10.082 18 HG2 PRO 3 HG2 PRO 3 -6.335 17.063 10.185 19 HG3 PRO 3 HG1 PRO 3 -7.274 15.672 9.612 20 HD2 PRO 3 HD2 PRO 3 -7.543 16.781 12.109 21 HD3 PRO 3 HD1 PRO 3 -7.928 15.091 11.727 22 H VAL 4 HN VAL 4 -2.300 15.381 12.291 23 HA VAL 4 HA VAL 4 -1.984 18.184 11.651 24 HB VAL 4 HB VAL 4 -2.714 18.394 13.918 25 HG11 VAL 4 HG11 VAL 4 -1.977 15.941 14.371 26 HG12 VAL 4 HG12 VAL 4 -2.000 17.108 15.694 27 HG13 VAL 4 HG13 VAL 4 -0.475 16.688 14.911 28 HG21 VAL 4 HG21 VAL 4 -1.113 19.863 14.526 29 HG22 VAL 4 HG22 VAL 4 -0.410 19.443 12.963 30 HG23 VAL 4 HG23 VAL 4 0.172 18.658 14.431 31 H CYS 5 HN CYS 5 -0.569 17.407 10.104 32 HA CYS 5 HA CYS 5 2.108 17.587 10.631 33 HB2 CYS 5 HB2 CYS 5 1.302 15.087 11.528 34 HB3 CYS 5 HB1 CYS 5 1.922 14.749 9.915 35 H GLY 6 HN GLY 6 2.081 18.778 8.766 36 HA2 GLY 6 HA2 GLY 6 1.927 19.227 6.505 37 HA3 GLY 6 HA1 GLY 6 2.419 17.548 6.279 38 H ASN 7 HN ASN 7 -0.413 18.289 8.106 39 HA ASN 7 HA ASN 7 -2.609 17.829 7.857 40 HB2 ASN 7 HB2 ASN 7 -2.621 17.942 4.899 41 HB3 ASN 7 HB1 ASN 7 -3.652 18.763 6.065 42 HD21 ASN 7 HD21 ASN 7 -2.769 20.642 7.149 43 HD22 ASN 7 HD22 ASN 7 -1.623 21.634 6.319 44 H LYS 8 HN LYS 8 -3.340 15.836 8.183 45 HA LYS 8 HA LYS 8 -2.183 13.507 7.480 46 HB2 LYS 8 HB2 LYS 8 -4.109 13.688 9.005 47 HB3 LYS 8 HB1 LYS 8 -5.174 13.901 7.623 48 HG2 LYS 8 HG2 LYS 8 -3.433 11.477 7.903 49 HG3 LYS 8 HG1 LYS 8 -5.005 11.581 8.696 50 HD2 LYS 8 HD2 LYS 8 -5.365 12.403 6.012 51 HD3 LYS 8 HD1 LYS 8 -4.398 10.926 5.980 52 HE2 LYS 8 HE2 LYS 8 -6.064 9.655 6.909 53 HE3 LYS 8 HE1 LYS 8 -6.787 11.024 7.753 54 HZ1 LYS 8 HZ1 LYS 8 -7.549 11.847 5.567 55 HZ2 LYS 8 HZ2 LYS 8 -8.224 10.354 5.984 56 HZ3 LYS 8 HZ3 LYS 8 -6.971 10.427 4.850 57 H ILE 9 HN ILE 9 -1.533 12.825 5.525 58 HA ILE 9 HA ILE 9 -2.201 13.773 3.086 59 HB ILE 9 HB ILE 9 -1.558 11.642 2.060 60 HG12 ILE 9 HG12 ILE 9 -2.531 10.464 4.338 61 HG13 ILE 9 HG11 ILE 9 -1.538 9.667 3.124 62 HG21 ILE 9 HG21 ILE 9 0.732 11.544 3.176 63 HG22 ILE 9 HG22 ILE 9 0.120 12.804 4.247 64 HG23 ILE 9 HG23 ILE 9 0.207 13.091 2.511 65 HD11 ILE 9 HD11 ILE 9 -0.783 9.292 5.441 66 HD12 ILE 9 HD12 ILE 9 -0.457 11.020 5.580 67 HD13 ILE 9 HD13 ILE 9 0.439 10.043 4.414 68 H LEU 10 HN LEU 10 -3.587 13.355 1.443 69 HA LEU 10 HA LEU 10 -6.060 11.984 2.212 70 HB2 LEU 10 HB2 LEU 10 -7.084 13.379 0.373 71 HB3 LEU 10 HB1 LEU 10 -6.540 14.250 1.795 72 HG LEU 10 HG LEU 10 -6.063 15.266 -0.508 73 HD11 LEU 10 HD11 LEU 10 -4.607 16.557 0.560 74 HD12 LEU 10 HD12 LEU 10 -3.471 15.228 0.788 75 HD13 LEU 10 HD13 LEU 10 -4.798 15.460 1.927 76 HD21 LEU 10 HD21 LEU 10 -3.770 13.319 -0.456 77 HD22 LEU 10 HD22 LEU 10 -4.108 14.547 -1.674 78 HD23 LEU 10 HD23 LEU 10 -5.183 13.161 -1.499 79 H GLU 11 HN GLU 11 -3.442 11.126 0.799 80 HA GLU 11 HA GLU 11 -4.591 9.103 -0.777 81 HB2 GLU 11 HB2 GLU 11 -3.886 9.756 -3.000 82 HB3 GLU 11 HB1 GLU 11 -4.969 10.972 -2.335 83 HG2 GLU 11 HG2 GLU 11 -2.691 12.078 -1.590 84 HG3 GLU 11 HG1 GLU 11 -2.071 11.134 -2.943 85 H GLN 12 HN GLN 12 -1.771 10.877 0.236 86 HA GLN 12 HA GLN 12 -0.048 8.669 -0.602 87 HB2 GLN 12 HB2 GLN 12 1.790 10.288 0.233 88 HB3 GLN 12 HB1 GLN 12 0.974 10.642 -1.281 89 HG2 GLN 12 HG2 GLN 12 -0.503 11.918 0.734 90 HG3 GLN 12 HG1 GLN 12 1.195 12.226 1.084 91 HE21 GLN 12 HE21 GLN 12 -0.945 14.015 0.141 92 HE22 GLN 12 HE22 GLN 12 -0.350 14.718 -1.321 93 H GLY 13 HN GLY 13 -1.311 7.475 1.180 94 HA2 GLY 13 HA2 GLY 13 -0.682 8.038 3.907 95 HA3 GLY 13 HA1 GLY 13 -1.392 6.557 3.293 96 H GLU 14 HN GLU 14 1.711 8.133 2.660 97 HA GLU 14 HA GLU 14 3.612 7.044 4.065 98 HB2 GLU 14 HB2 GLU 14 2.373 4.813 2.541 99 HB3 GLU 14 HB1 GLU 14 4.129 4.865 2.557 100 HG2 GLU 14 HG2 GLU 14 4.272 4.398 4.770 101 HG3 GLU 14 HG1 GLU 14 2.731 5.166 5.149 102 H ASP 15 HN ASP 15 2.421 7.310 0.822 103 HA ASP 15 HA ASP 15 4.723 7.362 -0.689 104 HB2 ASP 15 HB2 ASP 15 2.772 7.564 -1.932 105 HB3 ASP 15 HB1 ASP 15 2.072 8.744 -0.831 106 H CYS 16 HN CYS 16 3.479 9.651 1.598 107 HA CYS 16 HA CYS 16 5.805 10.846 2.279 108 HB2 CYS 16 HB2 CYS 16 6.364 11.904 0.337 109 HB3 CYS 16 HB1 CYS 16 4.694 12.029 -0.204 110 H ASP 17 HN ASP 17 5.433 11.858 4.109 111 HA ASP 17 HA ASP 17 4.441 13.126 5.724 112 HB2 ASP 17 HB2 ASP 17 3.296 14.183 3.456 113 HB3 ASP 17 HB1 ASP 17 1.891 13.655 4.377 114 H CYS 18 HN CYS 18 4.328 11.063 6.771 115 HA CYS 18 HA CYS 18 2.661 9.033 6.768 116 HB2 CYS 18 HB2 CYS 18 4.332 9.865 8.627 117 HB3 CYS 18 HB1 CYS 18 2.864 10.444 9.407 118 H GLY 19 HN GLY 19 1.695 12.227 7.946 119 HA2 GLY 19 HA2 GLY 19 -0.433 13.143 7.920 120 HA3 GLY 19 HA1 GLY 19 -1.066 11.602 7.354 121 H SER 20 HN SER 20 0.408 10.236 9.614 122 HA SER 20 HA SER 20 -1.674 10.644 11.582 123 HB2 SER 20 HB2 SER 20 0.427 8.618 12.060 124 HB3 SER 20 HB1 SER 20 -1.319 8.501 12.271 125 HG SER 20 HG SER 20 -1.558 8.085 10.129 126 HA PRO 21 HA PRO 21 1.313 13.431 13.496 127 HB2 PRO 21 HB2 PRO 21 -0.430 14.082 15.560 128 HB3 PRO 21 HB1 PRO 21 -0.304 14.933 14.018 129 HG2 PRO 21 HG2 PRO 21 -2.238 12.809 14.854 130 HG3 PRO 21 HG1 PRO 21 -2.536 14.284 13.916 131 HD2 PRO 21 HD2 PRO 21 -2.357 11.920 12.708 132 HD3 PRO 21 HD1 PRO 21 -1.644 13.369 11.964 133 H ALA 22 HN ALA 22 -0.680 11.036 15.201 134 HA ALA 22 HA ALA 22 0.676 10.862 17.596 135 HB1 ALA 22 HB1 ALA 22 -1.396 9.604 16.957 136 HB2 ALA 22 HB2 ALA 22 -0.192 8.648 17.822 137 HB3 ALA 22 HB3 ALA 22 -0.365 8.477 16.076 138 H ASN 23 HN ASN 23 1.654 9.853 14.435 139 HA ASN 23 HA ASN 23 4.267 9.066 15.496 140 HB2 ASN 23 HB2 ASN 23 2.766 7.533 13.359 141 HB3 ASN 23 HB1 ASN 23 4.378 7.163 13.965 142 HD21 ASN 23 HD21 ASN 23 4.329 5.432 15.189 143 HD22 ASN 23 HD22 ASN 23 3.113 5.034 16.350 144 H CYS 24 HN CYS 24 3.981 11.533 14.604 145 HA CYS 24 HA CYS 24 4.018 12.135 11.930 146 HB2 CYS 24 HB2 CYS 24 5.274 13.390 14.321 147 HB3 CYS 24 HB1 CYS 24 5.784 13.959 12.736 148 H GLN 25 HN GLN 25 6.456 10.517 13.772 149 HA GLN 25 HA GLN 25 8.018 10.130 11.338 150 HB2 GLN 25 HB2 GLN 25 8.919 11.582 13.747 151 HB3 GLN 25 HB1 GLN 25 10.043 10.375 13.136 152 HG2 GLN 25 HG2 GLN 25 8.919 12.121 11.077 153 HG3 GLN 25 HG1 GLN 25 9.894 12.951 12.289 154 HE21 GLN 25 HE21 GLN 25 11.719 13.368 11.211 155 HE22 GLN 25 HE22 GLN 25 12.720 12.178 10.459 156 H ASP 26 HN ASP 26 6.426 8.218 12.160 157 HA ASP 26 HA ASP 26 8.158 6.072 12.798 158 HB2 ASP 26 HB2 ASP 26 7.434 7.408 15.051 159 HB3 ASP 26 HB1 ASP 26 6.131 6.229 14.942 160 H ARG 27 HN ARG 27 6.169 4.354 13.966 161 HA ARG 27 HA ARG 27 4.459 2.983 13.400 162 HB2 ARG 27 HB2 ARG 27 3.010 4.906 13.467 163 HB3 ARG 27 HB1 ARG 27 3.517 5.407 11.861 164 HG2 ARG 27 HG2 ARG 27 2.253 3.806 10.810 165 HG3 ARG 27 HG1 ARG 27 2.263 2.728 12.208 166 HD2 ARG 27 HD2 ARG 27 0.897 4.628 13.343 167 HD3 ARG 27 HD1 ARG 27 0.581 5.146 11.688 168 HE ARG 27 HE ARG 27 -0.594 2.936 13.037 169 HH11 ARG 27 HH11 ARG 27 0.485 4.019 9.900 170 HH12 ARG 27 HH12 ARG 27 -0.608 2.995 9.032 171 HH21 ARG 27 HH21 ARG 27 -2.033 1.587 11.897 172 HH22 ARG 27 HH22 ARG 27 -2.038 1.615 10.165 173 H CYS 28 HN CYS 28 4.198 4.553 10.263 174 HA CYS 28 HA CYS 28 5.904 2.564 9.015 175 HB2 CYS 28 HB2 CYS 28 3.065 2.233 9.180 176 HB3 CYS 28 HB1 CYS 28 3.511 2.491 7.497 177 H CYS 29 HN CYS 29 5.196 5.665 9.237 178 HA CYS 29 HA CYS 29 6.083 6.205 6.526 179 HB2 CYS 29 HB2 CYS 29 4.228 8.134 6.598 180 HB3 CYS 29 HB1 CYS 29 3.957 6.568 5.850 181 H ASN 30 HN ASN 30 6.495 8.508 6.177 182 HA ASN 30 HA ASN 30 7.678 9.691 8.593 183 HB2 ASN 30 HB2 ASN 30 8.543 9.465 5.755 184 HB3 ASN 30 HB1 ASN 30 8.994 10.914 6.632 185 HD21 ASN 30 HD21 ASN 30 9.330 9.776 9.169 186 HD22 ASN 30 HD22 ASN 30 10.710 8.740 9.126 187 H ALA 31 HN ALA 31 6.074 10.942 9.282 188 HA ALA 31 HA ALA 31 4.620 12.712 7.536 189 HB1 ALA 31 HB1 ALA 31 3.184 12.913 9.256 190 HB2 ALA 31 HB2 ALA 31 4.479 13.310 10.385 191 HB3 ALA 31 HB3 ALA 31 4.118 11.629 10.023 192 H ALA 32 HN ALA 32 7.478 12.711 9.426 193 HA ALA 32 HA ALA 32 7.793 15.623 9.125 194 HB1 ALA 32 HB1 ALA 32 8.947 15.642 11.049 195 HB2 ALA 32 HB2 ALA 32 9.849 14.184 10.632 196 HB3 ALA 32 HB3 ALA 32 8.229 14.053 11.318 197 H THR 33 HN THR 33 8.342 13.021 7.326 198 HA THR 33 HA THR 33 10.833 14.107 6.244 199 HB THR 33 HB THR 33 10.705 11.220 5.978 200 HG1 THR 33 HG1 THR 33 9.699 11.649 8.128 201 HG21 THR 33 HG21 THR 33 12.682 12.869 5.775 202 HG22 THR 33 HG22 THR 33 12.925 11.273 6.486 203 HG23 THR 33 HG23 THR 33 12.761 12.687 7.527 204 H CYS 34 HN CYS 34 7.749 13.695 5.568 205 HA CYS 34 HA CYS 34 6.484 13.357 3.701 206 HB2 CYS 34 HB2 CYS 34 7.534 15.430 3.110 207 HB3 CYS 34 HB1 CYS 34 8.989 14.605 2.571 208 H LYS 35 HN LYS 35 7.402 10.872 4.333 209 HA LYS 35 HA LYS 35 7.371 9.599 1.803 210 HB2 LYS 35 HB2 LYS 35 9.928 10.398 2.640 211 HB3 LYS 35 HB1 LYS 35 9.851 8.661 2.900 212 HG2 LYS 35 HG2 LYS 35 8.738 9.376 0.339 213 HG3 LYS 35 HG1 LYS 35 10.387 9.979 0.513 214 HD2 LYS 35 HD2 LYS 35 10.045 7.248 1.484 215 HD3 LYS 35 HD1 LYS 35 9.673 7.430 -0.232 216 HE2 LYS 35 HE2 LYS 35 11.825 8.210 -0.731 217 HE3 LYS 35 HE1 LYS 35 12.180 8.571 0.958 218 HZ1 LYS 35 HZ1 LYS 35 12.152 6.174 1.405 219 HZ2 LYS 35 HZ2 LYS 35 13.338 6.592 0.274 220 HZ3 LYS 35 HZ3 LYS 35 11.898 5.867 -0.239 221 H LEU 36 HN LEU 36 8.147 7.185 2.098 222 HA LEU 36 HA LEU 36 6.525 6.128 4.242 223 HB2 LEU 36 HB2 LEU 36 7.184 3.911 3.254 224 HB3 LEU 36 HB1 LEU 36 6.331 4.990 2.167 225 HG LEU 36 HG LEU 36 9.212 5.312 1.952 226 HD11 LEU 36 HD11 LEU 36 9.436 3.026 2.510 227 HD12 LEU 36 HD12 LEU 36 9.513 3.114 0.751 228 HD13 LEU 36 HD13 LEU 36 8.032 2.576 1.542 229 HD21 LEU 36 HD21 LEU 36 6.985 4.624 0.043 230 HD22 LEU 36 HD22 LEU 36 8.657 4.895 -0.448 231 HD23 LEU 36 HD23 LEU 36 7.735 6.200 0.299 232 H THR 37 HN THR 37 7.379 4.406 5.705 233 HA THR 37 HA THR 37 9.809 5.334 6.916 234 HB THR 37 HB THR 37 9.350 3.296 8.450 235 HG1 THR 37 HG1 THR 37 7.804 2.085 7.751 236 HG21 THR 37 HG21 THR 37 8.813 5.199 9.530 237 HG22 THR 37 HG22 THR 37 7.186 4.556 9.303 238 HG23 THR 37 HG23 THR 37 7.805 5.800 8.213 239 HA PRO 38 HA PRO 38 12.972 2.803 5.226 240 HB2 PRO 38 HB2 PRO 38 13.588 2.104 8.063 241 HB3 PRO 38 HB1 PRO 38 14.666 2.697 6.794 242 HG2 PRO 38 HG2 PRO 38 13.846 4.331 8.709 243 HG3 PRO 38 HG1 PRO 38 13.940 4.896 7.030 244 HD2 PRO 38 HD2 PRO 38 11.546 4.124 8.641 245 HD3 PRO 38 HD1 PRO 38 11.727 5.413 7.433 246 H GLY 39 HN GLY 39 13.019 0.767 4.460 247 HA2 GLY 39 HA2 GLY 39 12.937 -1.586 4.615 248 HA3 GLY 39 HA1 GLY 39 12.054 -1.432 6.127 249 H SER 40 HN SER 40 10.179 0.529 4.936 250 HA SER 40 HA SER 40 8.140 -1.224 4.181 251 HB2 SER 40 HB2 SER 40 8.280 1.710 3.459 252 HB3 SER 40 HB1 SER 40 6.832 0.732 3.692 253 HG SER 40 HG SER 40 8.690 1.616 5.629 254 H GLN 41 HN GLN 41 7.518 -2.091 2.301 255 HA GLN 41 HA GLN 41 9.231 -1.702 -0.005 256 HB2 GLN 41 HB2 GLN 41 7.130 -3.682 0.775 257 HB3 GLN 41 HB1 GLN 41 7.551 -3.514 -0.923 258 HG2 GLN 41 HG2 GLN 41 8.908 -5.239 -0.180 259 HG3 GLN 41 HG1 GLN 41 9.971 -3.833 -0.162 260 HE21 GLN 41 HE21 GLN 41 10.682 -5.982 1.278 261 HE22 GLN 41 HE22 GLN 41 10.500 -5.674 2.967 262 H CYS 42 HN CYS 42 6.002 -0.875 1.016 263 HA CYS 42 HA CYS 42 5.713 0.824 -1.313 264 HB2 CYS 42 HB2 CYS 42 4.823 -1.311 -2.114 265 HB3 CYS 42 HB1 CYS 42 3.726 -1.379 -0.739 266 H ASN 43 HN ASN 43 4.390 2.546 -0.992 267 HA ASN 43 HA ASN 43 3.692 3.164 1.717 268 HB2 ASN 43 HB2 ASN 43 2.755 5.274 0.649 269 HB3 ASN 43 HB1 ASN 43 4.473 4.985 0.396 270 HD21 ASN 43 HD21 ASN 43 5.131 5.359 -1.581 271 HD22 ASN 43 HD22 ASN 43 4.194 5.194 -3.023 272 H TYR 44 HN TYR 44 1.971 2.304 -1.214 273 HA TYR 44 HA TYR 44 -0.207 1.158 0.121 274 HB2 TYR 44 HB2 TYR 44 -1.970 2.731 -0.181 275 HB3 TYR 44 HB1 TYR 44 -0.658 3.605 0.601 276 HD1 TYR 44 HD2 TYR 44 -2.081 2.913 -2.779 277 HD2 TYR 44 HD1 TYR 44 0.057 5.624 -0.291 278 HE1 TYR 44 HE2 TYR 44 -2.144 4.592 -4.568 279 HE2 TYR 44 HE1 TYR 44 0.002 7.315 -2.073 280 HH TYR 44 HH TYR 44 -0.419 6.815 -5.072 281 H GLY 45 HN GLY 45 -1.972 0.547 -1.410 282 HA2 GLY 45 HA2 GLY 45 -2.351 0.801 -3.987 283 HA3 GLY 45 HA1 GLY 45 -0.781 0.012 -4.034 284 H GLU 46 HN GLU 46 -2.369 -1.438 -5.342 285 HA GLU 46 HA GLU 46 -4.224 -3.062 -4.017 286 HB2 GLU 46 HB2 GLU 46 -2.652 -3.312 -6.550 287 HB3 GLU 46 HB1 GLU 46 -3.595 -4.680 -5.973 288 HG2 GLU 46 HG2 GLU 46 -5.619 -3.454 -6.107 289 HG3 GLU 46 HG1 GLU 46 -4.757 -1.940 -6.376 290 H CYS 47 HN CYS 47 -0.753 -3.428 -4.539 291 HA CYS 47 HA CYS 47 -0.810 -5.852 -2.870 292 HB2 CYS 47 HB2 CYS 47 1.272 -4.845 -4.817 293 HB3 CYS 47 HB1 CYS 47 1.486 -6.256 -3.786 294 H CYS 48 HN CYS 48 -1.036 -3.262 -1.681 295 HA CYS 48 HA CYS 48 1.499 -3.229 -0.187 296 HB2 CYS 48 HB2 CYS 48 -0.068 -0.721 -0.740 297 HB3 CYS 48 HB1 CYS 48 1.587 -0.872 -0.159 298 H ASP 49 HN ASP 49 1.132 -3.818 1.817 299 HA ASP 49 HA ASP 49 -1.170 -2.704 3.244 300 HB2 ASP 49 HB2 ASP 49 -1.575 -5.107 2.375 301 HB3 ASP 49 HB1 ASP 49 -0.420 -5.596 3.611 302 H GLN 50 HN GLN 50 -0.622 -1.923 5.181 303 HA GLN 50 HA GLN 50 0.564 -1.445 7.062 304 HB2 GLN 50 HB2 GLN 50 1.161 -4.278 6.563 305 HB3 GLN 50 HB1 GLN 50 2.390 -3.446 7.505 306 HG2 GLN 50 HG2 GLN 50 0.121 -2.602 8.731 307 HG3 GLN 50 HG1 GLN 50 -0.337 -4.228 8.226 308 HE21 GLN 50 HE21 GLN 50 -0.353 -5.149 10.221 309 HE22 GLN 50 HE22 GLN 50 1.060 -5.358 11.193 310 H CYS 51 HN CYS 51 3.102 -3.297 5.400 311 HA CYS 51 HA CYS 51 4.430 -1.000 4.368 312 HB2 CYS 51 HB2 CYS 51 5.135 -1.958 7.074 313 HB3 CYS 51 HB1 CYS 51 6.494 -1.666 5.994 314 H ARG 52 HN ARG 52 3.604 -3.659 3.520 315 HA ARG 52 HA ARG 52 6.090 -4.456 2.270 316 HB2 ARG 52 HB2 ARG 52 5.384 -5.766 4.585 317 HB3 ARG 52 HB1 ARG 52 4.704 -6.806 3.341 318 HG2 ARG 52 HG2 ARG 52 6.716 -7.509 2.648 319 HG3 ARG 52 HG1 ARG 52 7.454 -5.917 2.836 320 HD2 ARG 52 HD2 ARG 52 7.380 -6.317 5.329 321 HD3 ARG 52 HD1 ARG 52 6.946 -7.986 4.962 322 HE ARG 52 HE ARG 52 9.329 -7.087 3.630 323 HH11 ARG 52 HH11 ARG 52 8.040 -8.490 6.553 324 HH12 ARG 52 HH12 ARG 52 9.537 -9.233 7.006 325 HH21 ARG 52 HH21 ARG 52 11.299 -8.063 4.223 326 HH22 ARG 52 HH22 ARG 52 11.388 -8.990 5.684 327 H PHE 53 HN PHE 53 5.765 -5.934 0.470 328 HA PHE 53 HA PHE 53 3.381 -5.349 -0.955 329 HB2 PHE 53 HB2 PHE 53 5.699 -7.187 -1.525 330 HB3 PHE 53 HB1 PHE 53 4.307 -7.082 -2.602 331 HD1 PHE 53 HD1 PHE 53 3.629 -4.415 -2.888 332 HD2 PHE 53 HD2 PHE 53 7.512 -6.050 -2.340 333 HE1 PHE 53 HE1 PHE 53 4.595 -2.455 -3.989 334 HE2 PHE 53 HE2 PHE 53 8.499 -4.083 -3.445 335 HZ PHE 53 HZ PHE 53 7.039 -2.278 -4.274 336 H LYS 54 HN LYS 54 1.599 -6.593 -1.392 337 HA LYS 54 HA LYS 54 0.813 -8.502 0.504 338 HB2 LYS 54 HB2 LYS 54 -0.250 -7.477 -2.049 339 HB3 LYS 54 HB1 LYS 54 -0.795 -9.090 -1.611 340 HG2 LYS 54 HG2 LYS 54 -1.855 -8.347 0.316 341 HG3 LYS 54 HG1 LYS 54 -0.933 -6.843 0.359 342 HD2 LYS 54 HD2 LYS 54 -2.344 -5.794 -1.047 343 HD3 LYS 54 HD1 LYS 54 -2.559 -7.225 -2.058 344 HE2 LYS 54 HE2 LYS 54 -3.884 -8.081 0.062 345 HE3 LYS 54 HE1 LYS 54 -4.061 -6.352 0.357 346 HZ1 LYS 54 HZ1 LYS 54 -5.918 -7.011 -0.905 347 HZ2 LYS 54 HZ2 LYS 54 -4.979 -7.894 -2.000 348 HZ3 LYS 54 HZ3 LYS 54 -4.901 -6.204 -1.991 349 H LYS 55 HN LYS 55 2.096 -10.230 0.785 350 HA LYS 55 HA LYS 55 3.739 -11.634 -0.723 351 HB2 LYS 55 HB2 LYS 55 3.087 -12.255 1.582 352 HB3 LYS 55 HB1 LYS 55 1.612 -12.976 0.952 353 HG2 LYS 55 HG2 LYS 55 2.978 -14.556 -0.358 354 HG3 LYS 55 HG1 LYS 55 4.429 -13.864 0.371 355 HD2 LYS 55 HD2 LYS 55 3.921 -14.705 2.479 356 HD3 LYS 55 HD1 LYS 55 2.211 -14.908 2.092 357 HE2 LYS 55 HE2 LYS 55 2.991 -17.086 2.051 358 HE3 LYS 55 HE1 LYS 55 3.063 -16.626 0.351 359 HZ1 LYS 55 HZ1 LYS 55 5.357 -16.565 2.237 360 HZ2 LYS 55 HZ2 LYS 55 5.414 -16.181 0.591 361 HZ3 LYS 55 HZ3 LYS 55 5.077 -17.765 1.078 362 H ALA 56 HN ALA 56 3.798 -12.683 -2.589 363 HA ALA 56 HA ALA 56 1.900 -12.718 -4.502 364 HB1 ALA 56 HB1 ALA 56 4.116 -14.643 -3.945 365 HB2 ALA 56 HB2 ALA 56 3.974 -13.437 -5.224 366 HB3 ALA 56 HB3 ALA 56 3.017 -14.917 -5.297 367 H GLY 57 HN GLY 57 -0.018 -13.623 -4.816 368 HA2 GLY 57 HA2 GLY 57 -1.327 -15.722 -4.809 369 HA3 GLY 57 HA1 GLY 57 -0.698 -16.005 -3.191 370 H THR 58 HN THR 58 -1.097 -12.857 -3.057 371 HA THR 58 HA THR 58 -3.646 -13.033 -1.718 372 HB THR 58 HB THR 58 -1.725 -10.744 -2.199 373 HG1 THR 58 HG1 THR 58 -0.937 -12.156 -0.696 374 HG21 THR 58 HG21 THR 58 -4.421 -10.474 -1.555 375 HG22 THR 58 HG22 THR 58 -3.146 -9.259 -1.407 376 HG23 THR 58 HG23 THR 58 -3.545 -10.292 -0.034 377 H VAL 59 HN VAL 59 -5.406 -13.150 -3.023 378 HA VAL 59 HA VAL 59 -5.525 -12.065 -5.616 379 HB VAL 59 HB VAL 59 -6.979 -13.930 -4.819 380 HG11 VAL 59 HG11 VAL 59 -8.528 -13.722 -3.211 381 HG12 VAL 59 HG12 VAL 59 -9.015 -12.114 -3.749 382 HG13 VAL 59 HG13 VAL 59 -7.590 -12.309 -2.728 383 HG21 VAL 59 HG21 VAL 59 -8.219 -11.520 -6.120 384 HG22 VAL 59 HG22 VAL 59 -9.075 -13.054 -5.961 385 HG23 VAL 59 HG23 VAL 59 -7.577 -12.973 -6.888 386 H CYS 60 HN CYS 60 -5.914 -10.103 -6.322 387 HA CYS 60 HA CYS 60 -7.115 -8.140 -4.470 388 HB2 CYS 60 HB2 CYS 60 -5.109 -7.130 -4.660 389 HB3 CYS 60 HB1 CYS 60 -4.675 -8.051 -6.094 390 H ARG 61 HN ARG 61 -7.283 -9.644 -7.547 391 HA ARG 61 HA ARG 61 -9.668 -8.121 -8.194 392 HB2 ARG 61 HB2 ARG 61 -7.104 -7.664 -9.486 393 HB3 ARG 61 HB1 ARG 61 -8.342 -8.131 -10.641 394 HG2 ARG 61 HG2 ARG 61 -9.763 -6.312 -9.441 395 HG3 ARG 61 HG1 ARG 61 -8.193 -5.720 -8.893 396 HD2 ARG 61 HD2 ARG 61 -9.221 -5.994 -11.701 397 HD3 ARG 61 HD1 ARG 61 -8.643 -4.546 -10.884 398 HE ARG 61 HE ARG 61 -6.972 -6.732 -11.917 399 HH11 ARG 61 HH11 ARG 61 -7.252 -3.480 -10.662 400 HH12 ARG 61 HH12 ARG 61 -5.620 -3.064 -11.057 401 HH21 ARG 61 HH21 ARG 61 -4.838 -6.183 -12.424 402 HH22 ARG 61 HH22 ARG 61 -4.249 -4.595 -12.056 403 H ILE 62 HN ILE 62 -10.340 -8.905 -10.577 404 HA ILE 62 HA ILE 62 -9.739 -11.524 -11.367 405 HB ILE 62 HB ILE 62 -12.408 -12.035 -10.779 406 HG12 ILE 62 HG12 ILE 62 -12.773 -11.742 -8.480 407 HG13 ILE 62 HG11 ILE 62 -11.094 -11.317 -8.170 408 HG21 ILE 62 HG21 ILE 62 -10.626 -13.654 -10.925 409 HG22 ILE 62 HG22 ILE 62 -11.512 -13.841 -9.411 410 HG23 ILE 62 HG23 ILE 62 -9.931 -13.058 -9.417 411 HD11 ILE 62 HD11 ILE 62 -12.379 -9.477 -10.002 412 HD12 ILE 62 HD12 ILE 62 -11.489 -9.159 -8.515 413 HD13 ILE 62 HD13 ILE 62 -13.204 -9.573 -8.446 414 H ALA 63 HN ALA 63 -10.611 -11.952 -13.313 415 HA ALA 63 HA ALA 63 -11.663 -9.806 -14.776 416 HB1 ALA 63 HB1 ALA 63 -10.906 -11.068 -16.431 417 HB2 ALA 63 HB2 ALA 63 -12.268 -12.161 -16.194 418 HB3 ALA 63 HB3 ALA 63 -10.749 -12.448 -15.345 419 H ARG 64 HN ARG 64 -13.409 -12.857 -14.912 420 HA ARG 64 HA ARG 64 -15.769 -11.629 -13.721 421 HB2 ARG 64 HB2 ARG 64 -15.597 -11.403 -16.356 422 HB3 ARG 64 HB1 ARG 64 -16.174 -13.063 -16.306 423 HG2 ARG 64 HG2 ARG 64 -18.090 -11.729 -16.537 424 HG3 ARG 64 HG1 ARG 64 -18.060 -12.222 -14.843 425 HD2 ARG 64 HD2 ARG 64 -18.402 -10.028 -14.467 426 HD3 ARG 64 HD1 ARG 64 -16.658 -9.923 -14.701 427 HE ARG 64 HE ARG 64 -17.629 -9.628 -17.205 428 HH11 ARG 64 HH11 ARG 64 -18.341 -8.050 -14.174 429 HH12 ARG 64 HH12 ARG 64 -18.769 -6.544 -14.915 430 HH21 ARG 64 HH21 ARG 64 -18.191 -7.648 -18.181 431 HH22 ARG 64 HH22 ARG 64 -18.684 -6.316 -17.190 432 H GLY 65 HN GLY 65 -15.422 -13.169 -12.028 433 HA2 GLY 65 HA2 GLY 65 -16.743 -15.181 -11.397 434 HA3 GLY 65 HA1 GLY 65 -16.074 -15.932 -12.839 435 H ASP 66 HN ASP 66 -14.175 -16.957 -12.730 436 HA ASP 66 HA ASP 66 -12.077 -16.414 -11.017 437 HB2 ASP 66 HB2 ASP 66 -14.135 -17.441 -9.519 438 HB3 ASP 66 HB1 ASP 66 -13.179 -18.879 -9.865 439 H TRP 67 HN TRP 67 -10.885 -16.911 -12.781 440 HA TRP 67 HA TRP 67 -10.725 -19.766 -13.509 441 HB2 TRP 67 HB2 TRP 67 -9.551 -18.244 -15.577 442 HB3 TRP 67 HB1 TRP 67 -11.053 -19.158 -15.646 443 HD1 TRP 67 HD1 TRP 67 -9.971 -15.591 -14.489 444 HE1 TRP 67 HE1 TRP 67 -11.833 -13.969 -15.162 445 HE3 TRP 67 HE3 TRP 67 -13.255 -18.926 -16.514 446 HZ2 TRP 67 HZ2 TRP 67 -14.355 -14.072 -16.391 447 HZ3 TRP 67 HZ3 TRP 67 -15.382 -18.082 -17.429 448 HH2 TRP 67 HH2 TRP 67 -15.920 -15.699 -17.368 449 H ASN 68 HN ASN 68 -8.801 -16.857 -13.986 450 HA ASN 68 HA ASN 68 -6.398 -18.280 -13.100 451 HB2 ASN 68 HB2 ASN 68 -6.277 -15.532 -14.270 452 HB3 ASN 68 HB1 ASN 68 -5.147 -16.871 -14.442 453 HD21 ASN 68 HD21 ASN 68 -8.327 -15.704 -15.423 454 HD22 ASN 68 HD22 ASN 68 -8.368 -16.538 -16.935 455 H ASP 69 HN ASP 69 -8.459 -15.534 -12.493 456 HA ASP 69 HA ASP 69 -8.715 -14.145 -10.723 457 HB2 ASP 69 HB2 ASP 69 -7.403 -16.529 -9.540 458 HB3 ASP 69 HB1 ASP 69 -7.464 -15.068 -8.560 459 H ASP 70 HN ASP 70 -7.811 -12.265 -10.201 460 HA ASP 70 HA ASP 70 -5.114 -11.726 -10.936 461 HB2 ASP 70 HB2 ASP 70 -7.054 -10.078 -11.014 462 HB3 ASP 70 HB1 ASP 70 -6.908 -9.975 -9.268 463 H TYR 71 HN TYR 71 -3.313 -11.834 -9.724 464 HA TYR 71 HA TYR 71 -3.641 -11.947 -6.811 465 HB2 TYR 71 HB2 TYR 71 -2.369 -13.975 -8.591 466 HB3 TYR 71 HB1 TYR 71 -1.772 -13.755 -6.947 467 HD1 TYR 71 HD1 TYR 71 -3.480 -13.864 -5.071 468 HD2 TYR 71 HD2 TYR 71 -4.229 -15.307 -8.985 469 HE1 TYR 71 HE1 TYR 71 -5.294 -15.249 -4.187 470 HE2 TYR 71 HE2 TYR 71 -6.058 -16.695 -8.136 471 HH TYR 71 HH TYR 71 -6.600 -17.776 -5.746 472 H CYS 72 HN CYS 72 -2.088 -11.110 -5.598 473 HA CYS 72 HA CYS 72 -0.276 -9.257 -6.747 474 HB2 CYS 72 HB2 CYS 72 -0.932 -10.242 -4.013 475 HB3 CYS 72 HB1 CYS 72 0.616 -9.427 -4.232 476 H THR 73 HN THR 73 2.126 -9.325 -6.102 477 HA THR 73 HA THR 73 3.137 -12.075 -6.413 478 HB THR 73 HB THR 73 4.762 -11.368 -7.976 479 HG1 THR 73 HG1 THR 73 5.359 -9.320 -8.261 480 HG21 THR 73 HG21 THR 73 2.195 -11.244 -8.669 481 HG22 THR 73 HG22 THR 73 3.509 -10.873 -9.786 482 HG23 THR 73 HG23 THR 73 2.647 -9.566 -8.973 483 H GLY 74 HN GLY 74 2.968 -9.670 -4.261 484 HA2 GLY 74 HA2 GLY 74 4.211 -9.037 -2.438 485 HA3 GLY 74 HA1 GLY 74 4.949 -10.625 -2.569 486 H LYS 75 HN LYS 75 5.280 -8.508 -5.265 487 HA LYS 75 HA LYS 75 7.994 -7.774 -4.400 488 HB2 LYS 75 HB2 LYS 75 7.214 -8.703 -7.169 489 HB3 LYS 75 HB1 LYS 75 8.819 -8.196 -6.663 490 HG2 LYS 75 HG2 LYS 75 9.303 -10.219 -5.894 491 HG3 LYS 75 HG1 LYS 75 7.809 -10.292 -4.957 492 HD2 LYS 75 HD2 LYS 75 7.293 -11.963 -6.377 493 HD3 LYS 75 HD1 LYS 75 6.848 -10.645 -7.462 494 HE2 LYS 75 HE2 LYS 75 9.623 -11.798 -7.376 495 HE3 LYS 75 HE1 LYS 75 8.358 -12.462 -8.409 496 HZ1 LYS 75 HZ1 LYS 75 8.178 -10.387 -9.550 497 HZ2 LYS 75 HZ2 LYS 75 9.811 -10.827 -9.530 498 HZ3 LYS 75 HZ3 LYS 75 9.245 -9.630 -8.478 499 H SER 76 HN SER 76 5.146 -7.000 -6.282 500 HA SER 76 HA SER 76 6.132 -4.238 -6.530 501 HB2 SER 76 HB2 SER 76 4.539 -5.870 -8.511 502 HB3 SER 76 HB1 SER 76 4.666 -4.113 -8.605 503 HG SER 76 HG SER 76 6.393 -4.590 -9.724 504 H SER 77 HN SER 77 4.272 -2.665 -6.855 505 HA SER 77 HA SER 77 2.316 -3.165 -4.764 506 HB2 SER 77 HB2 SER 77 1.749 -0.741 -5.130 507 HB3 SER 77 HB1 SER 77 3.429 -1.033 -4.681 508 HG SER 77 HG SER 77 2.353 -0.150 -7.087 509 H ASP 78 HN ASP 78 2.346 -4.084 -7.817 510 HA ASP 78 HA ASP 78 -0.451 -3.317 -8.341 511 HB2 ASP 78 HB2 ASP 78 0.099 -3.975 -10.735 512 HB3 ASP 78 HB1 ASP 78 0.882 -2.517 -10.133 513 H CYS 79 HN CYS 79 -1.935 -4.870 -8.953 514 HA CYS 79 HA CYS 79 -1.130 -7.641 -8.385 515 HB2 CYS 79 HB2 CYS 79 -3.229 -8.032 -7.418 516 HB3 CYS 79 HB1 CYS 79 -2.792 -6.420 -6.858 517 HA PRO 80 HA PRO 80 -2.073 -7.975 -12.828 518 HB2 PRO 80 HB2 PRO 80 -0.902 -10.400 -13.158 519 HB3 PRO 80 HB1 PRO 80 0.014 -8.889 -13.115 520 HG2 PRO 80 HG2 PRO 80 -0.444 -10.887 -10.928 521 HG3 PRO 80 HG1 PRO 80 1.059 -10.069 -11.397 522 HD2 PRO 80 HD2 PRO 80 -0.419 -9.247 -9.297 523 HD3 PRO 80 HD1 PRO 80 0.478 -8.109 -10.321 524 H TRP 81 HN TRP 81 -3.794 -8.844 -13.811 525 HA TRP 81 HA TRP 81 -5.826 -10.207 -12.474 526 HB2 TRP 81 HB2 TRP 81 -5.690 -10.762 -15.366 527 HB3 TRP 81 HB1 TRP 81 -6.998 -10.087 -14.408 528 HD1 TRP 81 HD1 TRP 81 -3.864 -9.020 -16.362 529 HE1 TRP 81 HE1 TRP 81 -4.080 -6.508 -16.888 530 HE3 TRP 81 HE3 TRP 81 -8.034 -8.006 -13.641 531 HZ2 TRP 81 HZ2 TRP 81 -5.813 -4.383 -16.229 532 HZ3 TRP 81 HZ3 TRP 81 -8.931 -5.706 -13.636 533 HH2 TRP 81 HH2 TRP 81 -7.834 -3.929 -14.906 534 H ASN 82 HN ASN 82 -2.976 -11.410 -13.916 535 HA ASN 82 HA ASN 82 -2.026 -13.489 -13.951 536 HB2 ASN 82 HB2 ASN 82 -4.582 -14.266 -12.541 537 HB3 ASN 82 HB1 ASN 82 -3.367 -15.446 -13.008 538 HD21 ASN 82 HD21 ASN 82 -2.143 -16.012 -11.382 539 HD22 ASN 82 HD22 ASN 82 -1.585 -14.983 -10.111 540 H HIS 83 HN HIS 83 -3.685 -12.230 -15.984 541 HA HIS 83 HA HIS 83 -4.819 -14.532 -17.401 542 HB2 HIS 83 HB2 HIS 83 -5.077 -11.563 -17.956 543 HB3 HIS 83 HB1 HIS 83 -5.899 -12.848 -18.842 544 HD1 HIS 83 HD1 HIS 83 -7.367 -10.564 -17.243 545 HD2 HIS 83 HD2 HIS 83 -6.664 -14.419 -15.866 546 HE1 HIS 83 HE1 HIS 83 -9.083 -10.962 -15.450 547 HE2 HIS 83 HE2 HIS 83 -8.591 -13.273 -14.579 Start of MODEL 17 1 H1 SER 1 HT1 SER 1 -7.876 15.187 17.606 2 H2 SER 1 HT2 SER 1 -6.950 16.296 16.681 3 H3 SER 1 HT3 SER 1 -8.410 16.805 17.423 4 HA SER 1 HA SER 1 -7.200 17.531 19.055 5 HB2 SER 1 HB2 SER 1 -7.978 15.787 20.355 6 HB3 SER 1 HB1 SER 1 -7.196 14.557 19.364 7 HG SER 1 HG SER 1 -5.705 14.571 20.834 8 HA PRO 2 HA PRO 2 -2.669 16.003 18.525 9 HB2 PRO 2 HB2 PRO 2 -2.147 14.024 16.758 10 HB3 PRO 2 HB1 PRO 2 -2.588 13.705 18.438 11 HG2 PRO 2 HG2 PRO 2 -4.313 13.637 15.988 12 HG3 PRO 2 HG1 PRO 2 -4.232 12.479 17.329 13 HD2 PRO 2 HD2 PRO 2 -6.166 14.359 17.153 14 HD3 PRO 2 HD1 PRO 2 -5.525 13.799 18.711 15 HA PRO 3 HA PRO 3 -1.853 18.265 14.804 16 HB2 PRO 3 HB2 PRO 3 0.796 18.145 14.615 17 HB3 PRO 3 HB1 PRO 3 0.019 18.916 16.003 18 HG2 PRO 3 HG2 PRO 3 1.262 16.207 15.791 19 HG3 PRO 3 HG1 PRO 3 1.333 17.372 17.125 20 HD2 PRO 3 HD2 PRO 3 -0.371 15.182 17.001 21 HD3 PRO 3 HD1 PRO 3 -0.610 16.605 18.033 22 H VAL 4 HN VAL 4 -2.142 17.937 12.765 23 HA VAL 4 HA VAL 4 -1.461 15.430 11.548 24 HB VAL 4 HB VAL 4 -2.661 17.505 9.861 25 HG11 VAL 4 HG11 VAL 4 -4.291 15.554 9.520 26 HG12 VAL 4 HG12 VAL 4 -3.159 14.620 10.496 27 HG13 VAL 4 HG13 VAL 4 -2.626 15.345 8.982 28 HG21 VAL 4 HG21 VAL 4 -4.950 16.999 10.990 29 HG22 VAL 4 HG22 VAL 4 -3.913 18.263 11.651 30 HG23 VAL 4 HG23 VAL 4 -3.967 16.676 12.419 31 H CYS 5 HN CYS 5 0.749 15.533 11.348 32 HA CYS 5 HA CYS 5 2.144 17.796 10.360 33 HB2 CYS 5 HB2 CYS 5 3.424 15.180 9.863 34 HB3 CYS 5 HB1 CYS 5 4.051 16.596 10.688 35 H GLY 6 HN GLY 6 1.373 18.559 8.472 36 HA2 GLY 6 HA2 GLY 6 1.580 18.702 6.136 37 HA3 GLY 6 HA1 GLY 6 1.940 16.981 6.084 38 H ASN 7 HN ASN 7 -0.752 17.961 7.987 39 HA ASN 7 HA ASN 7 -2.993 17.634 7.811 40 HB2 ASN 7 HB2 ASN 7 -2.203 18.516 5.090 41 HB3 ASN 7 HB1 ASN 7 -3.757 17.690 5.200 42 HD21 ASN 7 HD21 ASN 7 -4.738 19.669 4.590 43 HD22 ASN 7 HD22 ASN 7 -4.978 20.930 5.746 44 H LYS 8 HN LYS 8 -4.382 15.908 7.670 45 HA LYS 8 HA LYS 8 -3.416 13.357 7.420 46 HB2 LYS 8 HB2 LYS 8 -5.687 14.125 8.318 47 HB3 LYS 8 HB1 LYS 8 -6.245 14.070 6.652 48 HG2 LYS 8 HG2 LYS 8 -4.896 11.654 7.703 49 HG3 LYS 8 HG1 LYS 8 -6.506 12.024 8.326 50 HD2 LYS 8 HD2 LYS 8 -6.139 12.198 5.395 51 HD3 LYS 8 HD1 LYS 8 -6.090 10.584 6.105 52 HE2 LYS 8 HE2 LYS 8 -8.254 11.463 7.348 53 HE3 LYS 8 HE1 LYS 8 -8.333 12.530 5.946 54 HZ1 LYS 8 HZ1 LYS 8 -9.546 10.339 5.776 55 HZ2 LYS 8 HZ2 LYS 8 -8.029 9.598 5.679 56 HZ3 LYS 8 HZ3 LYS 8 -8.502 10.712 4.498 57 H ILE 9 HN ILE 9 -2.157 12.888 5.672 58 HA ILE 9 HA ILE 9 -2.417 13.707 3.085 59 HB ILE 9 HB ILE 9 -1.436 11.548 2.294 60 HG12 ILE 9 HG12 ILE 9 -0.544 10.052 4.125 61 HG13 ILE 9 HG11 ILE 9 -1.685 10.840 5.217 62 HG21 ILE 9 HG21 ILE 9 0.700 12.003 3.182 63 HG22 ILE 9 HG22 ILE 9 0.020 12.693 4.656 64 HG23 ILE 9 HG23 ILE 9 -0.161 13.540 3.119 65 HD11 ILE 9 HD11 ILE 9 -2.867 9.823 2.739 66 HD12 ILE 9 HD12 ILE 9 -3.425 9.687 4.407 67 HD13 ILE 9 HD13 ILE 9 -2.188 8.589 3.799 68 H LEU 10 HN LEU 10 -3.600 13.318 1.336 69 HA LEU 10 HA LEU 10 -5.974 11.656 1.727 70 HB2 LEU 10 HB2 LEU 10 -6.932 13.038 -0.133 71 HB3 LEU 10 HB1 LEU 10 -6.559 13.916 1.340 72 HG LEU 10 HG LEU 10 -5.976 14.972 -0.950 73 HD11 LEU 10 HD11 LEU 10 -3.612 15.578 0.284 74 HD12 LEU 10 HD12 LEU 10 -4.609 15.007 1.622 75 HD13 LEU 10 HD13 LEU 10 -5.168 16.340 0.611 76 HD21 LEU 10 HD21 LEU 10 -3.556 13.213 -0.589 77 HD22 LEU 10 HD22 LEU 10 -3.780 14.463 -1.813 78 HD23 LEU 10 HD23 LEU 10 -4.781 13.012 -1.841 79 H GLU 11 HN GLU 11 -3.137 11.104 0.593 80 HA GLU 11 HA GLU 11 -3.782 8.956 -1.046 81 HB2 GLU 11 HB2 GLU 11 -3.226 9.718 -3.265 82 HB3 GLU 11 HB1 GLU 11 -4.504 10.743 -2.630 83 HG2 GLU 11 HG2 GLU 11 -2.449 12.230 -1.889 84 HG3 GLU 11 HG1 GLU 11 -1.671 11.383 -3.225 85 H GLN 12 HN GLN 12 -2.039 9.163 0.997 86 HA GLN 12 HA GLN 12 0.535 8.802 -0.352 87 HB2 GLN 12 HB2 GLN 12 0.262 10.264 2.271 88 HB3 GLN 12 HB1 GLN 12 1.729 10.027 1.336 89 HG2 GLN 12 HG2 GLN 12 -0.616 11.516 0.217 90 HG3 GLN 12 HG1 GLN 12 0.584 12.308 1.235 91 HE21 GLN 12 HE21 GLN 12 2.312 13.119 0.279 92 HE22 GLN 12 HE22 GLN 12 2.847 12.753 -1.322 93 H GLY 13 HN GLY 13 -0.441 8.713 3.051 94 HA2 GLY 13 HA2 GLY 13 -0.227 7.082 4.651 95 HA3 GLY 13 HA1 GLY 13 -0.708 5.971 3.377 96 H GLU 14 HN GLU 14 2.112 7.779 2.764 97 HA GLU 14 HA GLU 14 4.262 6.828 3.898 98 HB2 GLU 14 HB2 GLU 14 2.968 4.544 2.551 99 HB3 GLU 14 HB1 GLU 14 4.681 4.726 2.209 100 HG2 GLU 14 HG2 GLU 14 5.284 4.030 4.234 101 HG3 GLU 14 HG1 GLU 14 4.038 4.980 5.037 102 H ASP 15 HN ASP 15 2.617 7.405 0.952 103 HA ASP 15 HA ASP 15 4.598 7.445 -0.962 104 HB2 ASP 15 HB2 ASP 15 2.207 7.907 -1.386 105 HB3 ASP 15 HB1 ASP 15 2.368 9.460 -0.573 106 H CYS 16 HN CYS 16 3.524 10.298 0.818 107 HA CYS 16 HA CYS 16 6.116 11.154 1.552 108 HB2 CYS 16 HB2 CYS 16 6.119 11.640 -0.909 109 HB3 CYS 16 HB1 CYS 16 4.795 12.769 -0.639 110 H ASP 17 HN ASP 17 5.077 11.257 3.497 111 HA ASP 17 HA ASP 17 4.386 12.824 5.133 112 HB2 ASP 17 HB2 ASP 17 3.885 14.537 3.294 113 HB3 ASP 17 HB1 ASP 17 2.282 13.811 3.204 114 H CYS 18 HN CYS 18 2.320 12.845 6.391 115 HA CYS 18 HA CYS 18 0.476 10.711 5.659 116 HB2 CYS 18 HB2 CYS 18 2.567 10.378 7.568 117 HB3 CYS 18 HB1 CYS 18 1.039 10.407 8.445 118 H GLY 19 HN GLY 19 1.315 13.474 7.628 119 HA2 GLY 19 HA2 GLY 19 -0.028 15.067 8.613 120 HA3 GLY 19 HA1 GLY 19 -1.363 14.383 7.701 121 H SER 20 HN SER 20 -2.133 12.203 8.548 122 HA SER 20 HA SER 20 -3.160 12.556 11.054 123 HB2 SER 20 HB2 SER 20 -3.832 10.237 11.014 124 HB3 SER 20 HB1 SER 20 -4.037 10.953 9.417 125 HG SER 20 HG SER 20 -2.792 9.424 8.713 126 HA PRO 21 HA PRO 21 0.660 12.289 13.402 127 HB2 PRO 21 HB2 PRO 21 -0.884 12.429 15.777 128 HB3 PRO 21 HB1 PRO 21 -0.025 13.750 14.985 129 HG2 PRO 21 HG2 PRO 21 -2.894 13.005 14.840 130 HG3 PRO 21 HG1 PRO 21 -2.137 14.602 14.706 131 HD2 PRO 21 HD2 PRO 21 -3.116 13.328 12.562 132 HD3 PRO 21 HD1 PRO 21 -1.648 14.310 12.468 133 H ALA 22 HN ALA 22 -2.246 10.354 13.712 134 HA ALA 22 HA ALA 22 -1.467 8.478 15.590 135 HB1 ALA 22 HB1 ALA 22 -2.815 6.896 13.898 136 HB2 ALA 22 HB2 ALA 22 -3.302 8.470 13.269 137 HB3 ALA 22 HB3 ALA 22 -3.606 8.062 14.958 138 H ASN 23 HN ASN 23 -0.329 9.003 12.370 139 HA ASN 23 HA ASN 23 1.338 6.585 12.531 140 HB2 ASN 23 HB2 ASN 23 0.694 8.127 10.015 141 HB3 ASN 23 HB1 ASN 23 1.394 6.515 10.151 142 HD21 ASN 23 HD21 ASN 23 -1.516 8.371 10.895 143 HD22 ASN 23 HD22 ASN 23 -2.621 7.061 10.676 144 H CYS 24 HN CYS 24 1.313 10.046 12.282 145 HA CYS 24 HA CYS 24 3.832 10.578 11.235 146 HB2 CYS 24 HB2 CYS 24 1.964 12.222 11.895 147 HB3 CYS 24 HB1 CYS 24 2.646 12.156 13.515 148 H GLN 25 HN GLN 25 5.569 9.446 11.862 149 HA GLN 25 HA GLN 25 7.378 8.900 13.144 150 HB2 GLN 25 HB2 GLN 25 6.130 10.252 15.524 151 HB3 GLN 25 HB1 GLN 25 7.835 10.011 15.168 152 HG2 GLN 25 HG2 GLN 25 6.747 11.545 13.061 153 HG3 GLN 25 HG1 GLN 25 6.178 12.245 14.576 154 HE21 GLN 25 HE21 GLN 25 7.565 13.363 15.830 155 HE22 GLN 25 HE22 GLN 25 9.229 13.629 15.448 156 H ASP 26 HN ASP 26 7.862 7.055 14.226 157 HA ASP 26 HA ASP 26 7.600 5.133 15.422 158 HB2 ASP 26 HB2 ASP 26 5.024 6.248 16.532 159 HB3 ASP 26 HB1 ASP 26 6.066 5.019 17.241 160 H ARG 27 HN ARG 27 6.482 5.563 12.763 161 HA ARG 27 HA ARG 27 4.705 3.249 12.721 162 HB2 ARG 27 HB2 ARG 27 3.552 5.690 12.617 163 HB3 ARG 27 HB1 ARG 27 3.895 5.448 10.909 164 HG2 ARG 27 HG2 ARG 27 1.887 4.451 10.908 165 HG3 ARG 27 HG1 ARG 27 2.788 3.065 11.523 166 HD2 ARG 27 HD2 ARG 27 1.927 4.985 13.571 167 HD3 ARG 27 HD1 ARG 27 0.613 4.163 12.731 168 HE ARG 27 HE ARG 27 2.408 3.027 14.637 169 HH11 ARG 27 HH11 ARG 27 0.484 2.304 11.816 170 HH12 ARG 27 HH12 ARG 27 0.316 0.626 12.207 171 HH21 ARG 27 HH21 ARG 27 2.189 0.819 15.151 172 HH22 ARG 27 HH22 ARG 27 1.284 -0.218 14.100 173 H CYS 28 HN CYS 28 4.082 3.258 10.024 174 HA CYS 28 HA CYS 28 6.713 2.721 8.881 175 HB2 CYS 28 HB2 CYS 28 3.977 1.688 8.441 176 HB3 CYS 28 HB1 CYS 28 4.993 1.802 7.008 177 H CYS 29 HN CYS 29 4.878 5.362 9.023 178 HA CYS 29 HA CYS 29 5.687 6.229 6.335 179 HB2 CYS 29 HB2 CYS 29 3.641 7.342 5.930 180 HB3 CYS 29 HB1 CYS 29 3.186 5.756 6.539 181 H ASN 30 HN ASN 30 6.151 8.459 6.114 182 HA ASN 30 HA ASN 30 6.855 9.746 8.670 183 HB2 ASN 30 HB2 ASN 30 8.099 9.828 5.945 184 HB3 ASN 30 HB1 ASN 30 8.374 11.119 7.091 185 HD21 ASN 30 HD21 ASN 30 8.548 9.772 9.454 186 HD22 ASN 30 HD22 ASN 30 9.916 8.718 9.433 187 H ALA 31 HN ALA 31 5.145 10.923 9.167 188 HA ALA 31 HA ALA 31 3.821 12.591 7.211 189 HB1 ALA 31 HB1 ALA 31 3.284 11.765 9.975 190 HB2 ALA 31 HB2 ALA 31 2.158 12.143 8.678 191 HB3 ALA 31 HB3 ALA 31 2.861 13.438 9.635 192 H ALA 32 HN ALA 32 6.382 12.731 9.462 193 HA ALA 32 HA ALA 32 6.554 15.664 9.269 194 HB1 ALA 32 HB1 ALA 32 8.155 13.844 11.060 195 HB2 ALA 32 HB2 ALA 32 6.620 14.576 11.532 196 HB3 ALA 32 HB3 ALA 32 8.008 15.599 11.161 197 H THR 33 HN THR 33 7.684 12.876 7.846 198 HA THR 33 HA THR 33 10.118 14.218 6.899 199 HB THR 33 HB THR 33 10.270 11.333 6.708 200 HG1 THR 33 HG1 THR 33 8.935 11.642 8.680 201 HG21 THR 33 HG21 THR 33 12.132 13.039 6.696 202 HG22 THR 33 HG22 THR 33 12.364 11.583 7.666 203 HG23 THR 33 HG23 THR 33 11.920 13.101 8.446 204 H CYS 34 HN CYS 34 7.245 13.818 5.894 205 HA CYS 34 HA CYS 34 6.133 13.098 4.009 206 HB2 CYS 34 HB2 CYS 34 7.267 15.394 3.673 207 HB3 CYS 34 HB1 CYS 34 8.337 14.533 2.573 208 H LYS 35 HN LYS 35 7.282 10.768 4.532 209 HA LYS 35 HA LYS 35 7.596 9.624 2.003 210 HB2 LYS 35 HB2 LYS 35 9.900 10.921 2.607 211 HB3 LYS 35 HB1 LYS 35 10.255 9.305 3.204 212 HG2 LYS 35 HG2 LYS 35 10.977 9.118 1.046 213 HG3 LYS 35 HG1 LYS 35 9.306 8.572 0.871 214 HD2 LYS 35 HD2 LYS 35 9.831 10.127 -0.899 215 HD3 LYS 35 HD1 LYS 35 8.667 10.865 0.203 216 HE2 LYS 35 HE2 LYS 35 10.323 12.234 1.187 217 HE3 LYS 35 HE1 LYS 35 11.630 11.313 0.445 218 HZ1 LYS 35 HZ1 LYS 35 9.653 12.759 -1.204 219 HZ2 LYS 35 HZ2 LYS 35 11.205 12.239 -1.629 220 HZ3 LYS 35 HZ3 LYS 35 11.012 13.549 -0.577 221 H LEU 36 HN LEU 36 7.697 7.427 1.955 222 HA LEU 36 HA LEU 36 6.788 6.039 4.224 223 HB2 LEU 36 HB2 LEU 36 6.951 4.053 2.950 224 HB3 LEU 36 HB1 LEU 36 6.532 5.320 1.818 225 HG LEU 36 HG LEU 36 9.258 4.079 2.184 226 HD11 LEU 36 HD11 LEU 36 8.723 2.680 0.540 227 HD12 LEU 36 HD12 LEU 36 8.109 3.995 -0.462 228 HD13 LEU 36 HD13 LEU 36 7.052 3.217 0.716 229 HD21 LEU 36 HD21 LEU 36 8.346 6.317 0.381 230 HD22 LEU 36 HD22 LEU 36 9.887 5.472 0.232 231 HD23 LEU 36 HD23 LEU 36 9.535 6.414 1.681 232 H THR 37 HN THR 37 7.832 5.317 5.968 233 HA THR 37 HA THR 37 10.546 5.807 6.413 234 HB THR 37 HB THR 37 10.233 4.237 8.391 235 HG1 THR 37 HG1 THR 37 8.587 2.969 8.194 236 HG21 THR 37 HG21 THR 37 8.238 5.749 9.275 237 HG22 THR 37 HG22 THR 37 8.717 6.710 7.876 238 HG23 THR 37 HG23 THR 37 9.897 6.331 9.132 239 HA PRO 38 HA PRO 38 13.098 2.594 4.872 240 HB2 PRO 38 HB2 PRO 38 13.725 2.006 7.739 241 HB3 PRO 38 HB1 PRO 38 14.827 2.223 6.373 242 HG2 PRO 38 HG2 PRO 38 14.498 4.176 8.126 243 HG3 PRO 38 HG1 PRO 38 14.594 4.542 6.392 244 HD2 PRO 38 HD2 PRO 38 12.216 4.495 8.193 245 HD3 PRO 38 HD1 PRO 38 12.566 5.551 6.809 246 H GLY 39 HN GLY 39 12.956 0.440 4.406 247 HA2 GLY 39 HA2 GLY 39 12.423 -1.821 4.807 248 HA3 GLY 39 HA1 GLY 39 11.491 -1.328 6.213 249 H SER 40 HN SER 40 9.912 0.663 4.950 250 HA SER 40 HA SER 40 7.756 -0.845 4.047 251 HB2 SER 40 HB2 SER 40 6.749 1.284 3.378 252 HB3 SER 40 HB1 SER 40 7.560 1.455 4.935 253 HG SER 40 HG SER 40 8.749 2.140 2.454 254 H GLN 41 HN GLN 41 7.779 -2.107 2.298 255 HA GLN 41 HA GLN 41 9.403 -1.574 0.012 256 HB2 GLN 41 HB2 GLN 41 7.491 -3.678 0.850 257 HB3 GLN 41 HB1 GLN 41 7.695 -3.469 -0.884 258 HG2 GLN 41 HG2 GLN 41 10.179 -3.595 0.690 259 HG3 GLN 41 HG1 GLN 41 9.224 -5.076 0.633 260 HE21 GLN 41 HE21 GLN 41 9.796 -2.536 -1.769 261 HE22 GLN 41 HE22 GLN 41 10.439 -3.586 -2.982 262 H CYS 42 HN CYS 42 6.087 -0.951 0.884 263 HA CYS 42 HA CYS 42 5.798 0.757 -1.435 264 HB2 CYS 42 HB2 CYS 42 5.054 -1.414 -2.297 265 HB3 CYS 42 HB1 CYS 42 3.909 -1.558 -0.967 266 H ASN 43 HN ASN 43 4.461 2.444 -1.079 267 HA ASN 43 HA ASN 43 3.631 2.960 1.592 268 HB2 ASN 43 HB2 ASN 43 2.610 5.034 0.550 269 HB3 ASN 43 HB1 ASN 43 4.338 4.827 0.283 270 HD21 ASN 43 HD21 ASN 43 1.824 5.987 -1.181 271 HD22 ASN 43 HD22 ASN 43 2.105 5.511 -2.817 272 H TYR 44 HN TYR 44 1.999 2.048 -1.375 273 HA TYR 44 HA TYR 44 -0.124 0.743 -0.113 274 HB2 TYR 44 HB2 TYR 44 -1.983 2.236 -0.433 275 HB3 TYR 44 HB1 TYR 44 -0.762 3.094 0.500 276 HD1 TYR 44 HD2 TYR 44 -1.948 2.631 -3.006 277 HD2 TYR 44 HD1 TYR 44 -0.081 5.196 -0.181 278 HE1 TYR 44 HE2 TYR 44 -1.955 4.437 -4.662 279 HE2 TYR 44 HE1 TYR 44 -0.072 7.022 -1.816 280 HH TYR 44 HH TYR 44 -1.924 7.111 -4.474 281 H GLY 45 HN GLY 45 -1.919 0.233 -1.723 282 HA2 GLY 45 HA2 GLY 45 -2.272 0.571 -4.264 283 HA3 GLY 45 HA1 GLY 45 -0.658 -0.116 -4.353 284 H GLU 46 HN GLU 46 -2.015 -1.596 -5.758 285 HA GLU 46 HA GLU 46 -3.876 -3.390 -4.720 286 HB2 GLU 46 HB2 GLU 46 -1.957 -3.489 -7.017 287 HB3 GLU 46 HB1 GLU 46 -2.907 -4.909 -6.606 288 HG2 GLU 46 HG2 GLU 46 -4.881 -3.956 -7.240 289 HG3 GLU 46 HG1 GLU 46 -4.318 -2.316 -6.920 290 H CYS 47 HN CYS 47 -0.351 -3.666 -4.929 291 HA CYS 47 HA CYS 47 -0.469 -6.106 -3.286 292 HB2 CYS 47 HB2 CYS 47 1.392 -5.072 -5.355 293 HB3 CYS 47 HB1 CYS 47 2.106 -5.997 -4.042 294 H CYS 48 HN CYS 48 -0.807 -3.477 -2.084 295 HA CYS 48 HA CYS 48 1.616 -3.485 -0.414 296 HB2 CYS 48 HB2 CYS 48 0.135 -0.947 -1.001 297 HB3 CYS 48 HB1 CYS 48 1.777 -1.152 -0.404 298 H ASP 49 HN ASP 49 1.345 -3.386 1.720 299 HA ASP 49 HA ASP 49 -1.160 -2.541 2.898 300 HB2 ASP 49 HB2 ASP 49 -0.434 -5.370 2.577 301 HB3 ASP 49 HB1 ASP 49 -0.837 -4.924 4.232 302 H GLN 50 HN GLN 50 -0.617 -1.333 4.584 303 HA GLN 50 HA GLN 50 0.445 -0.543 6.438 304 HB2 GLN 50 HB2 GLN 50 0.954 -3.415 6.514 305 HB3 GLN 50 HB1 GLN 50 2.239 -2.489 7.277 306 HG2 GLN 50 HG2 GLN 50 -0.478 -1.670 8.015 307 HG3 GLN 50 HG1 GLN 50 -0.024 -3.299 8.514 308 HE21 GLN 50 HE21 GLN 50 1.461 -0.073 8.384 309 HE22 GLN 50 HE22 GLN 50 2.131 -0.132 9.975 310 H CYS 51 HN CYS 51 2.931 -2.649 4.983 311 HA CYS 51 HA CYS 51 4.374 -0.604 3.731 312 HB2 CYS 51 HB2 CYS 51 6.381 -0.885 5.488 313 HB3 CYS 51 HB1 CYS 51 5.192 0.406 5.601 314 H ARG 52 HN ARG 52 3.565 -3.272 3.214 315 HA ARG 52 HA ARG 52 6.098 -4.347 2.332 316 HB2 ARG 52 HB2 ARG 52 4.581 -5.533 4.573 317 HB3 ARG 52 HB1 ARG 52 5.100 -6.666 3.333 318 HG2 ARG 52 HG2 ARG 52 7.154 -4.777 4.264 319 HG3 ARG 52 HG1 ARG 52 6.597 -5.956 5.452 320 HD2 ARG 52 HD2 ARG 52 7.323 -7.761 4.191 321 HD3 ARG 52 HD1 ARG 52 7.334 -6.836 2.691 322 HE ARG 52 HE ARG 52 9.233 -5.646 4.259 323 HH11 ARG 52 HH11 ARG 52 8.681 -8.879 3.067 324 HH12 ARG 52 HH12 ARG 52 10.364 -9.283 3.017 325 HH21 ARG 52 HH21 ARG 52 11.447 -6.175 4.194 326 HH22 ARG 52 HH22 ARG 52 11.935 -7.748 3.658 327 H PHE 53 HN PHE 53 5.866 -5.962 0.687 328 HA PHE 53 HA PHE 53 3.557 -5.579 -0.923 329 HB2 PHE 53 HB2 PHE 53 5.926 -7.428 -1.165 330 HB3 PHE 53 HB1 PHE 53 4.598 -7.456 -2.324 331 HD1 PHE 53 HD2 PHE 53 3.984 -4.580 -2.505 332 HD2 PHE 53 HD1 PHE 53 7.717 -6.611 -2.421 333 HE1 PHE 53 HE2 PHE 53 4.996 -2.740 -3.750 334 HE2 PHE 53 HE1 PHE 53 8.750 -4.761 -3.673 335 HZ PHE 53 HZ PHE 53 7.390 -2.818 -4.343 336 H LYS 54 HN LYS 54 1.804 -6.833 -1.268 337 HA LYS 54 HA LYS 54 0.973 -8.595 0.764 338 HB2 LYS 54 HB2 LYS 54 -0.051 -7.867 -1.946 339 HB3 LYS 54 HB1 LYS 54 -0.734 -9.274 -1.142 340 HG2 LYS 54 HG2 LYS 54 -1.501 -7.964 0.683 341 HG3 LYS 54 HG1 LYS 54 -0.597 -6.553 0.129 342 HD2 LYS 54 HD2 LYS 54 -2.203 -5.957 -1.317 343 HD3 LYS 54 HD1 LYS 54 -2.435 -7.614 -1.878 344 HE2 LYS 54 HE2 LYS 54 -3.591 -7.939 0.434 345 HE3 LYS 54 HE1 LYS 54 -3.732 -6.181 0.403 346 HZ1 LYS 54 HZ1 LYS 54 -5.703 -7.043 -0.528 347 HZ2 LYS 54 HZ2 LYS 54 -4.867 -8.121 -1.528 348 HZ3 LYS 54 HZ3 LYS 54 -4.797 -6.459 -1.833 349 H LYS 55 HN LYS 55 2.270 -10.335 1.131 350 HA LYS 55 HA LYS 55 3.847 -11.873 -0.295 351 HB2 LYS 55 HB2 LYS 55 3.174 -12.395 2.017 352 HB3 LYS 55 HB1 LYS 55 1.654 -13.049 1.421 353 HG2 LYS 55 HG2 LYS 55 2.611 -14.961 0.660 354 HG3 LYS 55 HG1 LYS 55 4.151 -14.179 0.299 355 HD2 LYS 55 HD2 LYS 55 3.276 -14.452 3.140 356 HD3 LYS 55 HD1 LYS 55 3.949 -15.853 2.303 357 HE2 LYS 55 HE2 LYS 55 5.760 -14.791 3.399 358 HE3 LYS 55 HE1 LYS 55 5.911 -14.398 1.687 359 HZ1 LYS 55 HZ1 LYS 55 4.551 -12.583 3.585 360 HZ2 LYS 55 HZ2 LYS 55 5.170 -12.228 2.052 361 HZ3 LYS 55 HZ3 LYS 55 6.225 -12.521 3.341 362 H ALA 56 HN ALA 56 3.886 -13.021 -2.115 363 HA ALA 56 HA ALA 56 2.009 -13.040 -4.046 364 HB1 ALA 56 HB1 ALA 56 3.027 -15.328 -4.733 365 HB2 ALA 56 HB2 ALA 56 4.144 -15.020 -3.400 366 HB3 ALA 56 HB3 ALA 56 4.036 -13.880 -4.742 367 H GLY 57 HN GLY 57 0.153 -14.024 -4.506 368 HA2 GLY 57 HA2 GLY 57 -1.260 -16.019 -4.388 369 HA3 GLY 57 HA1 GLY 57 -0.688 -16.247 -2.740 370 H THR 58 HN THR 58 -0.940 -13.098 -2.737 371 HA THR 58 HA THR 58 -3.540 -13.098 -1.494 372 HB THR 58 HB THR 58 -1.579 -10.849 -2.021 373 HG1 THR 58 HG1 THR 58 -2.128 -12.355 0.322 374 HG21 THR 58 HG21 THR 58 -4.248 -10.619 -1.319 375 HG22 THR 58 HG22 THR 58 -2.986 -9.391 -1.152 376 HG23 THR 58 HG23 THR 58 -3.364 -10.460 0.200 377 H VAL 59 HN VAL 59 -5.305 -13.049 -2.759 378 HA VAL 59 HA VAL 59 -5.271 -12.116 -5.430 379 HB VAL 59 HB VAL 59 -6.878 -13.815 -4.706 380 HG11 VAL 59 HG11 VAL 59 -7.236 -12.335 -2.482 381 HG12 VAL 59 HG12 VAL 59 -8.357 -13.584 -3.024 382 HG13 VAL 59 HG13 VAL 59 -8.677 -11.890 -3.396 383 HG21 VAL 59 HG21 VAL 59 -8.645 -13.127 -6.037 384 HG22 VAL 59 HG22 VAL 59 -7.323 -12.101 -6.595 385 HG23 VAL 59 HG23 VAL 59 -8.536 -11.454 -5.491 386 H CYS 60 HN CYS 60 -5.191 -10.058 -6.069 387 HA CYS 60 HA CYS 60 -6.314 -7.997 -4.302 388 HB2 CYS 60 HB2 CYS 60 -4.552 -7.427 -6.663 389 HB3 CYS 60 HB1 CYS 60 -4.839 -6.434 -5.240 390 H ARG 61 HN ARG 61 -6.796 -9.550 -7.321 391 HA ARG 61 HA ARG 61 -9.119 -7.892 -7.840 392 HB2 ARG 61 HB2 ARG 61 -6.695 -7.358 -9.179 393 HB3 ARG 61 HB1 ARG 61 -7.722 -8.177 -10.348 394 HG2 ARG 61 HG2 ARG 61 -9.480 -6.410 -9.337 395 HG3 ARG 61 HG1 ARG 61 -7.981 -5.507 -9.134 396 HD2 ARG 61 HD2 ARG 61 -9.342 -6.413 -11.627 397 HD3 ARG 61 HD1 ARG 61 -8.619 -4.853 -11.248 398 HE ARG 61 HE ARG 61 -7.376 -6.958 -12.621 399 HH11 ARG 61 HH11 ARG 61 -6.679 -4.607 -10.134 400 HH12 ARG 61 HH12 ARG 61 -4.975 -4.616 -10.433 401 HH21 ARG 61 HH21 ARG 61 -5.140 -6.973 -13.008 402 HH22 ARG 61 HH22 ARG 61 -4.100 -5.956 -12.067 403 H ILE 62 HN ILE 62 -10.023 -8.698 -10.144 404 HA ILE 62 HA ILE 62 -9.630 -11.317 -10.982 405 HB ILE 62 HB ILE 62 -10.409 -12.066 -8.829 406 HG12 ILE 62 HG12 ILE 62 -12.402 -13.386 -9.506 407 HG13 ILE 62 HG11 ILE 62 -12.549 -12.382 -10.945 408 HG21 ILE 62 HG21 ILE 62 -12.250 -11.299 -7.707 409 HG22 ILE 62 HG22 ILE 62 -13.090 -10.832 -9.188 410 HG23 ILE 62 HG23 ILE 62 -11.772 -9.835 -8.568 411 HD11 ILE 62 HD11 ILE 62 -11.483 -14.327 -11.664 412 HD12 ILE 62 HD12 ILE 62 -10.416 -14.368 -10.260 413 HD13 ILE 62 HD13 ILE 62 -10.186 -13.142 -11.507 414 H ALA 63 HN ALA 63 -10.691 -11.616 -12.844 415 HA ALA 63 HA ALA 63 -12.065 -9.476 -14.011 416 HB1 ALA 63 HB1 ALA 63 -11.449 -10.592 -15.814 417 HB2 ALA 63 HB2 ALA 63 -12.718 -11.770 -15.493 418 HB3 ALA 63 HB3 ALA 63 -11.094 -12.025 -14.852 419 H ARG 64 HN ARG 64 -13.751 -12.538 -14.289 420 HA ARG 64 HA ARG 64 -15.916 -11.559 -12.593 421 HB2 ARG 64 HB2 ARG 64 -16.135 -10.944 -15.152 422 HB3 ARG 64 HB1 ARG 64 -16.670 -12.614 -15.283 423 HG2 ARG 64 HG2 ARG 64 -18.542 -11.062 -15.044 424 HG3 ARG 64 HG1 ARG 64 -18.453 -12.201 -13.698 425 HD2 ARG 64 HD2 ARG 64 -17.789 -10.587 -12.199 426 HD3 ARG 64 HD1 ARG 64 -17.095 -9.559 -13.453 427 HE ARG 64 HE ARG 64 -19.744 -9.451 -12.443 428 HH11 ARG 64 HH11 ARG 64 -17.894 -9.067 -15.377 429 HH12 ARG 64 HH12 ARG 64 -19.027 -7.973 -16.096 430 HH21 ARG 64 HH21 ARG 64 -21.236 -8.013 -13.388 431 HH22 ARG 64 HH22 ARG 64 -20.924 -7.374 -14.967 432 H GLY 65 HN GLY 65 -15.331 -13.305 -11.205 433 HA2 GLY 65 HA2 GLY 65 -16.600 -15.422 -10.738 434 HA3 GLY 65 HA1 GLY 65 -16.004 -15.962 -12.301 435 H ASP 66 HN ASP 66 -14.096 -16.953 -12.418 436 HA ASP 66 HA ASP 66 -11.889 -16.535 -10.796 437 HB2 ASP 66 HB2 ASP 66 -13.784 -17.755 -9.273 438 HB3 ASP 66 HB1 ASP 66 -12.923 -19.154 -9.909 439 H TRP 67 HN TRP 67 -10.852 -16.765 -12.727 440 HA TRP 67 HA TRP 67 -10.688 -19.505 -13.804 441 HB2 TRP 67 HB2 TRP 67 -9.760 -17.718 -15.776 442 HB3 TRP 67 HB1 TRP 67 -11.248 -18.656 -15.804 443 HD1 TRP 67 HD1 TRP 67 -10.110 -15.210 -14.344 444 HE1 TRP 67 HE1 TRP 67 -12.062 -13.581 -14.623 445 HE3 TRP 67 HE3 TRP 67 -13.525 -18.385 -16.424 446 HZ2 TRP 67 HZ2 TRP 67 -14.696 -13.616 -15.608 447 HZ3 TRP 67 HZ3 TRP 67 -15.748 -17.503 -17.017 448 HH2 TRP 67 HH2 TRP 67 -16.320 -15.162 -16.615 449 H ASN 68 HN ASN 68 -8.883 -16.501 -14.106 450 HA ASN 68 HA ASN 68 -6.381 -17.947 -13.587 451 HB2 ASN 68 HB2 ASN 68 -6.475 -15.149 -14.642 452 HB3 ASN 68 HB1 ASN 68 -5.270 -16.403 -14.918 453 HD21 ASN 68 HD21 ASN 68 -8.622 -15.520 -15.633 454 HD22 ASN 68 HD22 ASN 68 -8.681 -16.287 -17.178 455 H ASP 69 HN ASP 69 -8.444 -15.352 -12.557 456 HA ASP 69 HA ASP 69 -8.495 -14.070 -10.686 457 HB2 ASP 69 HB2 ASP 69 -6.660 -16.270 -9.849 458 HB3 ASP 69 HB1 ASP 69 -6.899 -14.879 -8.800 459 H ASP 70 HN ASP 70 -7.084 -12.766 -9.177 460 HA ASP 70 HA ASP 70 -4.669 -11.869 -10.580 461 HB2 ASP 70 HB2 ASP 70 -6.576 -10.242 -10.755 462 HB3 ASP 70 HB1 ASP 70 -6.554 -10.117 -9.002 463 H TYR 71 HN TYR 71 -2.984 -12.480 -9.412 464 HA TYR 71 HA TYR 71 -3.218 -12.243 -6.491 465 HB2 TYR 71 HB2 TYR 71 -2.047 -14.433 -8.162 466 HB3 TYR 71 HB1 TYR 71 -1.590 -14.208 -6.474 467 HD1 TYR 71 HD2 TYR 71 -3.407 -14.166 -4.761 468 HD2 TYR 71 HD1 TYR 71 -4.026 -15.568 -8.711 469 HE1 TYR 71 HE2 TYR 71 -5.388 -15.366 -3.989 470 HE2 TYR 71 HE1 TYR 71 -6.029 -16.779 -7.987 471 HH TYR 71 HH TYR 71 -7.677 -16.690 -6.146 472 H CYS 72 HN CYS 72 -1.543 -11.586 -5.321 473 HA CYS 72 HA CYS 72 0.353 -9.881 -6.547 474 HB2 CYS 72 HB2 CYS 72 -0.654 -9.820 -4.155 475 HB3 CYS 72 HB1 CYS 72 0.635 -10.954 -3.759 476 H THR 73 HN THR 73 2.725 -10.081 -6.167 477 HA THR 73 HA THR 73 3.593 -12.884 -6.406 478 HB THR 73 HB THR 73 5.072 -12.346 -8.141 479 HG1 THR 73 HG1 THR 73 6.036 -10.513 -7.345 480 HG21 THR 73 HG21 THR 73 3.723 -11.718 -9.836 481 HG22 THR 73 HG22 THR 73 3.113 -10.304 -8.976 482 HG23 THR 73 HG23 THR 73 2.479 -11.908 -8.600 483 H GLY 74 HN GLY 74 3.668 -10.313 -4.415 484 HA2 GLY 74 HA2 GLY 74 5.001 -9.688 -2.661 485 HA3 GLY 74 HA1 GLY 74 5.715 -11.288 -2.783 486 H LYS 75 HN LYS 75 5.856 -9.100 -5.483 487 HA LYS 75 HA LYS 75 8.593 -8.330 -4.795 488 HB2 LYS 75 HB2 LYS 75 7.944 -9.445 -7.516 489 HB3 LYS 75 HB1 LYS 75 9.527 -9.093 -6.838 490 HG2 LYS 75 HG2 LYS 75 8.607 -10.906 -5.053 491 HG3 LYS 75 HG1 LYS 75 7.824 -11.461 -6.534 492 HD2 LYS 75 HD2 LYS 75 10.195 -11.168 -7.571 493 HD3 LYS 75 HD1 LYS 75 10.736 -11.245 -5.893 494 HE2 LYS 75 HE2 LYS 75 10.761 -13.443 -7.040 495 HE3 LYS 75 HE1 LYS 75 9.729 -13.408 -5.611 496 HZ1 LYS 75 HZ1 LYS 75 7.876 -13.692 -6.833 497 HZ2 LYS 75 HZ2 LYS 75 8.944 -14.371 -7.954 498 HZ3 LYS 75 HZ3 LYS 75 8.437 -12.768 -8.134 499 H SER 76 HN SER 76 5.729 -7.149 -5.415 500 HA SER 76 HA SER 76 6.712 -4.685 -6.426 501 HB2 SER 76 HB2 SER 76 5.521 -4.605 -8.549 502 HB3 SER 76 HB1 SER 76 6.643 -5.966 -8.544 503 HG SER 76 HG SER 76 5.016 -7.285 -8.717 504 H SER 77 HN SER 77 4.906 -3.119 -6.859 505 HA SER 77 HA SER 77 2.883 -3.436 -4.789 506 HB2 SER 77 HB2 SER 77 2.411 -1.011 -5.316 507 HB3 SER 77 HB1 SER 77 4.049 -1.339 -4.754 508 HG SER 77 HG SER 77 3.145 -0.653 -7.317 509 H ASP 78 HN ASP 78 2.944 -4.585 -7.722 510 HA ASP 78 HA ASP 78 0.176 -3.786 -8.348 511 HB2 ASP 78 HB2 ASP 78 2.548 -4.210 -10.093 512 HB3 ASP 78 HB1 ASP 78 0.990 -4.749 -10.713 513 H CYS 79 HN CYS 79 -1.268 -5.373 -8.983 514 HA CYS 79 HA CYS 79 -0.439 -8.150 -8.408 515 HB2 CYS 79 HB2 CYS 79 -2.410 -6.570 -7.178 516 HB3 CYS 79 HB1 CYS 79 -3.287 -7.716 -8.184 517 HA PRO 80 HA PRO 80 -1.661 -8.470 -12.780 518 HB2 PRO 80 HB2 PRO 80 -0.614 -10.935 -13.181 519 HB3 PRO 80 HB1 PRO 80 0.377 -9.471 -13.166 520 HG2 PRO 80 HG2 PRO 80 -0.074 -11.473 -10.983 521 HG3 PRO 80 HG1 PRO 80 1.442 -10.718 -11.511 522 HD2 PRO 80 HD2 PRO 80 0.080 -9.864 -9.336 523 HD3 PRO 80 HD1 PRO 80 1.014 -8.762 -10.366 524 H TRP 81 HN TRP 81 -3.617 -9.074 -13.441 525 HA TRP 81 HA TRP 81 -5.078 -11.108 -11.959 526 HB2 TRP 81 HB2 TRP 81 -7.077 -10.271 -13.101 527 HB3 TRP 81 HB1 TRP 81 -6.223 -9.008 -12.232 528 HD1 TRP 81 HD1 TRP 81 -4.115 -9.025 -15.047 529 HE1 TRP 81 HE1 TRP 81 -4.924 -7.447 -16.910 530 HE3 TRP 81 HE3 TRP 81 -8.937 -8.471 -13.564 531 HZ2 TRP 81 HZ2 TRP 81 -7.318 -6.135 -17.640 532 HZ3 TRP 81 HZ3 TRP 81 -10.447 -7.040 -14.891 533 HH2 TRP 81 HH2 TRP 81 -9.646 -5.897 -16.897 534 H ASN 82 HN ASN 82 -3.419 -10.817 -14.833 535 HA ASN 82 HA ASN 82 -3.081 -12.178 -16.623 536 HB2 ASN 82 HB2 ASN 82 -4.176 -14.034 -14.555 537 HB3 ASN 82 HB1 ASN 82 -4.022 -14.622 -16.208 538 HD21 ASN 82 HD21 ASN 82 -2.463 -14.161 -13.291 539 HD22 ASN 82 HD22 ASN 82 -0.839 -14.432 -13.815 540 H HIS 83 HN HIS 83 -5.276 -10.491 -16.781 541 HA HIS 83 HA HIS 83 -7.067 -12.084 -18.477 542 HB2 HIS 83 HB2 HIS 83 -8.051 -9.849 -16.702 543 HB3 HIS 83 HB1 HIS 83 -9.018 -10.973 -17.652 544 HD1 HIS 83 HD1 HIS 83 -8.755 -10.415 -14.372 545 HD2 HIS 83 HD2 HIS 83 -7.738 -13.781 -16.582 546 HE1 HIS 83 HE1 HIS 83 -8.771 -12.323 -12.736 547 HE2 HIS 83 HE2 HIS 83 -8.212 -14.358 -14.109 Start of MODEL 18 1 H1 SER 1 HT1 SER 1 -4.242 14.967 18.500 2 H2 SER 1 HT2 SER 1 -3.995 15.654 16.947 3 H3 SER 1 HT3 SER 1 -5.507 15.835 17.737 4 HA SER 1 HA SER 1 -4.703 17.801 18.254 5 HB2 SER 1 HB2 SER 1 -4.893 17.168 20.440 6 HB3 SER 1 HB1 SER 1 -3.825 15.781 20.242 7 HG SER 1 HG SER 1 -3.172 17.885 21.464 8 HA PRO 2 HA PRO 2 0.259 17.381 18.205 9 HB2 PRO 2 HB2 PRO 2 0.221 14.958 16.465 10 HB3 PRO 2 HB1 PRO 2 1.402 15.446 17.682 11 HG2 PRO 2 HG2 PRO 2 -0.371 13.535 18.207 12 HG3 PRO 2 HG1 PRO 2 0.080 14.723 19.445 13 HD2 PRO 2 HD2 PRO 2 -2.413 14.523 17.826 14 HD3 PRO 2 HD1 PRO 2 -2.187 15.097 19.489 15 HA PRO 3 HA PRO 3 0.275 19.258 14.204 16 HB2 PRO 3 HB2 PRO 3 2.859 19.314 13.522 17 HB3 PRO 3 HB1 PRO 3 2.250 20.220 14.913 18 HG2 PRO 3 HG2 PRO 3 3.684 17.594 14.843 19 HG3 PRO 3 HG1 PRO 3 3.907 18.961 15.949 20 HD2 PRO 3 HD2 PRO 3 2.447 16.718 16.557 21 HD3 PRO 3 HD1 PRO 3 2.175 18.309 17.295 22 H VAL 4 HN VAL 4 -0.330 18.687 12.291 23 HA VAL 4 HA VAL 4 0.133 16.095 11.252 24 HB VAL 4 HB VAL 4 -0.970 18.110 9.426 25 HG11 VAL 4 HG11 VAL 4 -1.665 15.369 10.382 26 HG12 VAL 4 HG12 VAL 4 -1.302 15.930 8.752 27 HG13 VAL 4 HG13 VAL 4 -2.851 16.325 9.495 28 HG21 VAL 4 HG21 VAL 4 -3.197 18.040 10.727 29 HG22 VAL 4 HG22 VAL 4 -1.956 19.186 11.236 30 HG23 VAL 4 HG23 VAL 4 -2.187 17.682 12.128 31 H CYS 5 HN CYS 5 2.346 15.952 10.914 32 HA CYS 5 HA CYS 5 3.846 17.930 9.538 33 HB2 CYS 5 HB2 CYS 5 4.984 15.269 9.213 34 HB3 CYS 5 HB1 CYS 5 5.638 16.666 10.049 35 H GLY 6 HN GLY 6 3.005 18.516 7.626 36 HA2 GLY 6 HA2 GLY 6 3.114 18.294 5.271 37 HA3 GLY 6 HA1 GLY 6 3.153 16.547 5.464 38 H ASN 7 HN ASN 7 0.834 18.141 7.397 39 HA ASN 7 HA ASN 7 -1.436 18.190 7.398 40 HB2 ASN 7 HB2 ASN 7 -0.732 18.733 4.562 41 HB3 ASN 7 HB1 ASN 7 -2.397 18.246 4.870 42 HD21 ASN 7 HD21 ASN 7 -3.419 20.132 4.546 43 HD22 ASN 7 HD22 ASN 7 -3.146 21.567 5.468 44 H LYS 8 HN LYS 8 -3.008 16.680 7.604 45 HA LYS 8 HA LYS 8 -2.498 14.009 7.426 46 HB2 LYS 8 HB2 LYS 8 -4.542 15.323 8.424 47 HB3 LYS 8 HB1 LYS 8 -5.292 14.933 6.882 48 HG2 LYS 8 HG2 LYS 8 -4.229 12.993 8.922 49 HG3 LYS 8 HG1 LYS 8 -5.917 13.280 8.498 50 HD2 LYS 8 HD2 LYS 8 -5.077 12.631 6.086 51 HD3 LYS 8 HD1 LYS 8 -3.795 11.820 6.989 52 HE2 LYS 8 HE2 LYS 8 -5.406 10.510 8.200 53 HE3 LYS 8 HE1 LYS 8 -6.741 11.412 7.483 54 HZ1 LYS 8 HZ1 LYS 8 -5.657 10.563 5.279 55 HZ2 LYS 8 HZ2 LYS 8 -6.705 9.571 6.160 56 HZ3 LYS 8 HZ3 LYS 8 -5.032 9.354 6.284 57 H ILE 9 HN ILE 9 -1.667 13.084 5.645 58 HA ILE 9 HA ILE 9 -2.019 13.705 3.017 59 HB ILE 9 HB ILE 9 -1.931 11.129 2.546 60 HG12 ILE 9 HG12 ILE 9 -0.598 10.176 4.626 61 HG13 ILE 9 HG11 ILE 9 -1.620 11.298 5.508 62 HG21 ILE 9 HG21 ILE 9 -0.030 13.148 3.032 63 HG22 ILE 9 HG22 ILE 9 0.153 11.692 2.063 64 HG23 ILE 9 HG23 ILE 9 0.586 11.670 3.767 65 HD11 ILE 9 HD11 ILE 9 -2.752 9.302 3.590 66 HD12 ILE 9 HD12 ILE 9 -3.573 10.185 4.874 67 HD13 ILE 9 HD13 ILE 9 -2.428 8.908 5.275 68 H LEU 10 HN LEU 10 -3.598 13.768 1.605 69 HA LEU 10 HA LEU 10 -6.216 12.899 2.426 70 HB2 LEU 10 HB2 LEU 10 -6.912 14.028 0.261 71 HB3 LEU 10 HB1 LEU 10 -6.229 15.042 1.517 72 HG LEU 10 HG LEU 10 -5.517 15.373 -0.963 73 HD11 LEU 10 HD11 LEU 10 -4.119 15.688 1.555 74 HD12 LEU 10 HD12 LEU 10 -4.280 16.804 0.199 75 HD13 LEU 10 HD13 LEU 10 -3.017 15.575 0.182 76 HD21 LEU 10 HD21 LEU 10 -3.770 13.057 -0.155 77 HD22 LEU 10 HD22 LEU 10 -3.437 14.131 -1.512 78 HD23 LEU 10 HD23 LEU 10 -4.890 13.132 -1.514 79 H GLU 11 HN GLU 11 -3.921 11.126 1.250 80 HA GLU 11 HA GLU 11 -5.564 9.098 0.288 81 HB2 GLU 11 HB2 GLU 11 -5.066 9.099 -2.118 82 HB3 GLU 11 HB1 GLU 11 -5.983 10.517 -1.634 83 HG2 GLU 11 HG2 GLU 11 -4.471 11.668 -2.790 84 HG3 GLU 11 HG1 GLU 11 -3.411 11.400 -1.407 85 H GLN 12 HN GLN 12 -2.988 9.603 1.817 86 HA GLN 12 HA GLN 12 -1.733 7.190 1.094 87 HB2 GLN 12 HB2 GLN 12 0.328 7.935 0.147 88 HB3 GLN 12 HB1 GLN 12 -0.990 8.569 -0.818 89 HG2 GLN 12 HG2 GLN 12 -0.685 10.667 0.736 90 HG3 GLN 12 HG1 GLN 12 0.940 10.007 0.939 91 HE21 GLN 12 HE21 GLN 12 -1.003 11.968 -0.917 92 HE22 GLN 12 HE22 GLN 12 -0.009 12.083 -2.325 93 H GLY 13 HN GLY 13 -1.727 6.717 3.263 94 HA2 GLY 13 HA2 GLY 13 -0.260 8.461 5.104 95 HA3 GLY 13 HA1 GLY 13 -1.226 7.063 5.550 96 H GLU 14 HN GLU 14 1.192 7.186 3.041 97 HA GLU 14 HA GLU 14 3.483 6.299 4.271 98 HB2 GLU 14 HB2 GLU 14 1.601 4.301 4.545 99 HB3 GLU 14 HB1 GLU 14 2.429 3.822 3.074 100 HG2 GLU 14 HG2 GLU 14 4.379 3.384 4.146 101 HG3 GLU 14 HG1 GLU 14 4.094 4.595 5.394 102 H ASP 15 HN ASP 15 3.262 7.967 2.471 103 HA ASP 15 HA ASP 15 4.413 6.818 0.080 104 HB2 ASP 15 HB2 ASP 15 1.910 6.883 -0.269 105 HB3 ASP 15 HB1 ASP 15 1.998 8.633 -0.091 106 H CYS 16 HN CYS 16 3.186 9.702 1.719 107 HA CYS 16 HA CYS 16 5.454 11.086 2.066 108 HB2 CYS 16 HB2 CYS 16 6.184 11.149 -0.124 109 HB3 CYS 16 HB1 CYS 16 4.556 11.296 -0.773 110 H ASP 17 HN ASP 17 4.917 12.610 3.390 111 HA ASP 17 HA ASP 17 3.937 14.469 4.275 112 HB2 ASP 17 HB2 ASP 17 2.989 14.569 1.632 113 HB3 ASP 17 HB1 ASP 17 1.560 14.731 2.649 114 H CYS 18 HN CYS 18 3.389 11.760 5.018 115 HA CYS 18 HA CYS 18 0.905 10.870 5.421 116 HB2 CYS 18 HB2 CYS 18 3.336 10.494 6.751 117 HB3 CYS 18 HB1 CYS 18 2.176 10.891 8.021 118 H GLY 19 HN GLY 19 2.240 13.721 6.978 119 HA2 GLY 19 HA2 GLY 19 1.208 15.417 8.148 120 HA3 GLY 19 HA1 GLY 19 -0.282 14.869 7.410 121 H SER 20 HN SER 20 -1.179 12.784 8.420 122 HA SER 20 HA SER 20 -1.919 13.328 10.991 123 HB2 SER 20 HB2 SER 20 -2.998 11.280 11.039 124 HB3 SER 20 HB1 SER 20 -2.873 11.619 9.315 125 HG SER 20 HG SER 20 -1.269 10.141 9.127 126 HA PRO 21 HA PRO 21 2.071 12.764 12.950 127 HB2 PRO 21 HB2 PRO 21 0.877 13.259 15.463 128 HB3 PRO 21 HB1 PRO 21 1.756 14.412 14.458 129 HG2 PRO 21 HG2 PRO 21 -1.162 14.022 14.774 130 HG3 PRO 21 HG1 PRO 21 -0.258 15.487 14.354 131 HD2 PRO 21 HD2 PRO 21 -1.703 14.092 12.547 132 HD3 PRO 21 HD1 PRO 21 -0.233 14.973 12.120 133 H ALA 22 HN ALA 22 -0.973 11.219 13.731 134 HA ALA 22 HA ALA 22 -0.168 9.395 15.661 135 HB1 ALA 22 HB1 ALA 22 -2.407 9.210 15.345 136 HB2 ALA 22 HB2 ALA 22 -1.909 7.887 14.291 137 HB3 ALA 22 HB3 ALA 22 -2.293 9.465 13.603 138 H ASN 23 HN ASN 23 0.592 9.570 12.298 139 HA ASN 23 HA ASN 23 1.983 6.982 12.447 140 HB2 ASN 23 HB2 ASN 23 1.097 8.390 9.924 141 HB3 ASN 23 HB1 ASN 23 1.685 6.736 10.084 142 HD21 ASN 23 HD21 ASN 23 -0.554 6.906 8.790 143 HD22 ASN 23 HD22 ASN 23 -1.918 6.456 9.750 144 H CYS 24 HN CYS 24 2.318 10.380 12.011 145 HA CYS 24 HA CYS 24 4.629 10.610 10.493 146 HB2 CYS 24 HB2 CYS 24 3.164 12.479 11.369 147 HB3 CYS 24 HB1 CYS 24 3.980 12.299 12.916 148 H GLN 25 HN GLN 25 6.212 9.126 10.853 149 HA GLN 25 HA GLN 25 8.032 8.160 11.812 150 HB2 GLN 25 HB2 GLN 25 7.826 10.709 13.386 151 HB3 GLN 25 HB1 GLN 25 9.040 9.504 13.795 152 HG2 GLN 25 HG2 GLN 25 9.856 9.631 11.446 153 HG3 GLN 25 HG1 GLN 25 8.735 10.967 11.185 154 HE21 GLN 25 HE21 GLN 25 10.658 12.178 10.651 155 HE22 GLN 25 HE22 GLN 25 11.601 12.880 11.917 156 H ASP 26 HN ASP 26 5.453 7.294 12.618 157 HA ASP 26 HA ASP 26 6.111 6.245 15.281 158 HB2 ASP 26 HB2 ASP 26 4.268 8.128 15.140 159 HB3 ASP 26 HB1 ASP 26 3.250 6.794 14.604 160 H ARG 27 HN ARG 27 3.609 5.864 12.755 161 HA ARG 27 HA ARG 27 3.420 3.052 13.224 162 HB2 ARG 27 HB2 ARG 27 1.455 4.244 12.504 163 HB3 ARG 27 HB1 ARG 27 2.271 4.811 11.054 164 HG2 ARG 27 HG2 ARG 27 1.997 2.844 9.961 165 HG3 ARG 27 HG1 ARG 27 2.098 1.882 11.437 166 HD2 ARG 27 HD2 ARG 27 -0.136 2.321 12.007 167 HD3 ARG 27 HD1 ARG 27 -0.249 3.665 10.872 168 HE ARG 27 HE ARG 27 -0.758 2.175 9.213 169 HH11 ARG 27 HH11 ARG 27 0.584 0.428 11.919 170 HH12 ARG 27 HH12 ARG 27 0.231 -1.129 11.250 171 HH21 ARG 27 HH21 ARG 27 -1.224 0.128 8.331 172 HH22 ARG 27 HH22 ARG 27 -0.795 -1.300 9.212 173 H CYS 28 HN CYS 28 3.603 4.030 9.882 174 HA CYS 28 HA CYS 28 6.288 2.969 9.576 175 HB2 CYS 28 HB2 CYS 28 4.371 1.753 7.682 176 HB3 CYS 28 HB1 CYS 28 5.805 1.065 8.429 177 H CYS 29 HN CYS 29 5.116 5.562 9.204 178 HA CYS 29 HA CYS 29 5.760 5.896 6.364 179 HB2 CYS 29 HB2 CYS 29 3.888 7.284 5.911 180 HB3 CYS 29 HB1 CYS 29 3.255 5.842 6.698 181 H ASN 30 HN ASN 30 6.200 8.121 5.763 182 HA ASN 30 HA ASN 30 7.458 9.613 7.964 183 HB2 ASN 30 HB2 ASN 30 8.288 9.123 5.126 184 HB3 ASN 30 HB1 ASN 30 8.813 10.575 5.952 185 HD21 ASN 30 HD21 ASN 30 9.196 9.655 8.479 186 HD22 ASN 30 HD22 ASN 30 10.484 8.506 8.502 187 H ALA 31 HN ALA 31 5.902 10.979 8.497 188 HA ALA 31 HA ALA 31 4.439 12.491 6.513 189 HB1 ALA 31 HB1 ALA 31 4.206 11.981 9.352 190 HB2 ALA 31 HB2 ALA 31 2.983 12.527 8.215 191 HB3 ALA 31 HB3 ALA 31 4.036 13.696 8.999 192 H ALA 32 HN ALA 32 7.297 12.710 8.391 193 HA ALA 32 HA ALA 32 7.638 15.560 7.743 194 HB1 ALA 32 HB1 ALA 32 7.919 14.680 10.123 195 HB2 ALA 32 HB2 ALA 32 9.210 15.697 9.481 196 HB3 ALA 32 HB3 ALA 32 9.416 13.946 9.546 197 H THR 33 HN THR 33 8.276 12.670 6.350 198 HA THR 33 HA THR 33 10.778 13.669 5.176 199 HB THR 33 HB THR 33 10.588 10.779 5.124 200 HG1 THR 33 HG1 THR 33 11.109 10.780 7.512 201 HG21 THR 33 HG21 THR 33 12.615 12.339 4.885 202 HG22 THR 33 HG22 THR 33 12.786 10.828 5.779 203 HG23 THR 33 HG23 THR 33 12.599 12.351 6.649 204 H CYS 34 HN CYS 34 7.718 13.339 4.432 205 HA CYS 34 HA CYS 34 6.491 12.878 2.568 206 HB2 CYS 34 HB2 CYS 34 7.621 14.807 1.771 207 HB3 CYS 34 HB1 CYS 34 9.088 13.900 1.435 208 H LYS 35 HN LYS 35 7.232 10.485 3.528 209 HA LYS 35 HA LYS 35 7.123 8.834 1.256 210 HB2 LYS 35 HB2 LYS 35 9.798 9.487 2.211 211 HB3 LYS 35 HB1 LYS 35 9.486 7.757 2.155 212 HG2 LYS 35 HG2 LYS 35 8.604 9.190 -0.230 213 HG3 LYS 35 HG1 LYS 35 10.343 9.275 0.059 214 HD2 LYS 35 HD2 LYS 35 8.964 6.643 0.297 215 HD3 LYS 35 HD1 LYS 35 9.293 7.291 -1.311 216 HE2 LYS 35 HE2 LYS 35 11.305 6.339 -1.098 217 HE3 LYS 35 HE1 LYS 35 11.677 7.679 -0.014 218 HZ1 LYS 35 HZ1 LYS 35 11.915 5.136 0.686 219 HZ2 LYS 35 HZ2 LYS 35 10.318 5.401 1.177 220 HZ3 LYS 35 HZ3 LYS 35 11.563 6.364 1.796 221 H LEU 36 HN LEU 36 7.818 6.465 1.954 222 HA LEU 36 HA LEU 36 6.241 5.903 4.318 223 HB2 LEU 36 HB2 LEU 36 7.790 3.807 2.846 224 HB3 LEU 36 HB1 LEU 36 6.259 3.666 3.684 225 HG LEU 36 HG LEU 36 5.481 5.301 1.724 226 HD11 LEU 36 HD11 LEU 36 8.071 4.775 0.943 227 HD12 LEU 36 HD12 LEU 36 6.773 5.371 -0.092 228 HD13 LEU 36 HD13 LEU 36 7.116 3.643 -0.015 229 HD21 LEU 36 HD21 LEU 36 4.826 3.211 0.479 230 HD22 LEU 36 HD22 LEU 36 4.372 3.250 2.184 231 HD23 LEU 36 HD23 LEU 36 5.768 2.305 1.664 232 H THR 37 HN THR 37 7.433 3.786 5.542 233 HA THR 37 HA THR 37 9.869 5.026 6.619 234 HB THR 37 HB THR 37 9.490 3.432 8.548 235 HG1 THR 37 HG1 THR 37 7.846 2.142 8.499 236 HG21 THR 37 HG21 THR 37 8.870 5.553 9.119 237 HG22 THR 37 HG22 THR 37 7.348 4.683 9.313 238 HG23 THR 37 HG23 THR 37 7.634 5.650 7.865 239 HA PRO 38 HA PRO 38 12.850 2.076 5.340 240 HB2 PRO 38 HB2 PRO 38 13.127 1.444 8.257 241 HB3 PRO 38 HB1 PRO 38 14.388 1.747 7.054 242 HG2 PRO 38 HG2 PRO 38 13.716 3.647 8.767 243 HG3 PRO 38 HG1 PRO 38 14.017 4.049 7.065 244 HD2 PRO 38 HD2 PRO 38 11.436 3.853 8.540 245 HD3 PRO 38 HD1 PRO 38 11.895 4.926 7.202 246 H GLY 39 HN GLY 39 12.139 0.266 4.372 247 HA2 GLY 39 HA2 GLY 39 11.758 -2.060 4.362 248 HA3 GLY 39 HA1 GLY 39 11.293 -1.969 6.054 249 H SER 40 HN SER 40 9.428 0.225 5.680 250 HA SER 40 HA SER 40 7.086 -1.220 5.195 251 HB2 SER 40 HB2 SER 40 7.038 0.791 6.542 252 HB3 SER 40 HB1 SER 40 7.568 1.768 5.173 253 HG SER 40 HG SER 40 5.141 0.299 5.282 254 H GLN 41 HN GLN 41 5.865 -1.588 3.430 255 HA GLN 41 HA GLN 41 6.982 -0.775 0.855 256 HB2 GLN 41 HB2 GLN 41 4.783 -2.762 1.451 257 HB3 GLN 41 HB1 GLN 41 5.553 -2.501 -0.108 258 HG2 GLN 41 HG2 GLN 41 6.817 -3.625 2.378 259 HG3 GLN 41 HG1 GLN 41 6.450 -4.482 0.882 260 HE21 GLN 41 HE21 GLN 41 7.431 -3.197 -1.095 261 HE22 GLN 41 HE22 GLN 41 9.110 -2.830 -0.924 262 H CYS 42 HN CYS 42 3.819 -0.870 2.493 263 HA CYS 42 HA CYS 42 3.068 1.688 1.499 264 HB2 CYS 42 HB2 CYS 42 1.253 1.020 0.024 265 HB3 CYS 42 HB1 CYS 42 2.775 0.368 -0.571 266 H ASN 43 HN ASN 43 0.778 2.209 2.041 267 HA ASN 43 HA ASN 43 -0.041 0.729 4.446 268 HB2 ASN 43 HB2 ASN 43 0.487 2.956 5.079 269 HB3 ASN 43 HB1 ASN 43 -0.359 3.635 3.692 270 HD21 ASN 43 HD21 ASN 43 -0.559 2.756 6.939 271 HD22 ASN 43 HD22 ASN 43 -2.255 3.000 7.161 272 H TYR 44 HN TYR 44 -0.955 1.788 1.297 273 HA TYR 44 HA TYR 44 -3.479 0.340 1.541 274 HB2 TYR 44 HB2 TYR 44 -4.839 2.068 0.734 275 HB3 TYR 44 HB1 TYR 44 -3.781 2.890 1.875 276 HD1 TYR 44 HD2 TYR 44 -4.363 2.250 -1.724 277 HD2 TYR 44 HD1 TYR 44 -2.354 4.646 1.161 278 HE1 TYR 44 HE2 TYR 44 -3.692 3.811 -3.498 279 HE2 TYR 44 HE1 TYR 44 -1.674 6.214 -0.606 280 HH TYR 44 HH TYR 44 -1.334 5.859 -3.352 281 H GLY 45 HN GLY 45 -4.360 -0.326 -0.533 282 HA2 GLY 45 HA2 GLY 45 -3.750 0.003 -3.045 283 HA3 GLY 45 HA1 GLY 45 -2.222 -0.680 -2.512 284 H GLU 46 HN GLU 46 -3.682 -1.896 -4.498 285 HA GLU 46 HA GLU 46 -5.453 -3.900 -3.612 286 HB2 GLU 46 HB2 GLU 46 -3.888 -3.359 -6.074 287 HB3 GLU 46 HB1 GLU 46 -4.427 -5.016 -5.834 288 HG2 GLU 46 HG2 GLU 46 -5.980 -3.670 -7.191 289 HG3 GLU 46 HG1 GLU 46 -6.718 -4.321 -5.728 290 H CYS 47 HN CYS 47 -1.976 -3.709 -3.781 291 HA CYS 47 HA CYS 47 -1.782 -6.468 -2.772 292 HB2 CYS 47 HB2 CYS 47 -0.636 -5.819 -4.977 293 HB3 CYS 47 HB1 CYS 47 0.483 -4.892 -3.984 294 H CYS 48 HN CYS 48 -2.386 -4.137 -1.148 295 HA CYS 48 HA CYS 48 0.085 -3.733 0.364 296 HB2 CYS 48 HB2 CYS 48 -1.816 -1.952 -0.370 297 HB3 CYS 48 HB1 CYS 48 -2.407 -2.396 1.227 298 H ASP 49 HN ASP 49 0.097 -3.976 2.679 299 HA ASP 49 HA ASP 49 -2.012 -5.187 4.107 300 HB2 ASP 49 HB2 ASP 49 -0.726 -6.995 2.467 301 HB3 ASP 49 HB1 ASP 49 0.078 -7.230 4.015 302 H GLN 50 HN GLN 50 -1.613 -3.984 5.841 303 HA GLN 50 HA GLN 50 -0.508 -2.967 7.575 304 HB2 GLN 50 HB2 GLN 50 0.121 -5.875 7.678 305 HB3 GLN 50 HB1 GLN 50 0.939 -4.812 8.815 306 HG2 GLN 50 HG2 GLN 50 -1.533 -3.946 9.206 307 HG3 GLN 50 HG1 GLN 50 -1.919 -5.571 8.639 308 HE21 GLN 50 HE21 GLN 50 0.236 -6.964 9.678 309 HE22 GLN 50 HE22 GLN 50 0.127 -6.967 11.402 310 H CYS 51 HN CYS 51 0.794 -1.593 6.178 311 HA CYS 51 HA CYS 51 2.748 -0.704 5.387 312 HB2 CYS 51 HB2 CYS 51 4.030 -1.992 7.788 313 HB3 CYS 51 HB1 CYS 51 4.427 -0.453 7.032 314 H ARG 52 HN ARG 52 2.169 -3.448 4.462 315 HA ARG 52 HA ARG 52 4.756 -3.989 3.319 316 HB2 ARG 52 HB2 ARG 52 3.682 -5.632 5.514 317 HB3 ARG 52 HB1 ARG 52 4.209 -6.546 4.108 318 HG2 ARG 52 HG2 ARG 52 6.076 -4.471 5.032 319 HG3 ARG 52 HG1 ARG 52 5.822 -5.821 6.140 320 HD2 ARG 52 HD2 ARG 52 6.693 -7.365 4.673 321 HD3 ARG 52 HD1 ARG 52 6.318 -6.386 3.255 322 HE ARG 52 HE ARG 52 8.245 -5.055 4.803 323 HH11 ARG 52 HH11 ARG 52 7.922 -7.884 2.785 324 HH12 ARG 52 HH12 ARG 52 9.587 -7.888 2.309 325 HH21 ARG 52 HH21 ARG 52 10.435 -5.058 4.177 326 HH22 ARG 52 HH22 ARG 52 11.014 -6.284 3.099 327 H PHE 53 HN PHE 53 4.636 -5.135 1.404 328 HA PHE 53 HA PHE 53 2.116 -5.164 0.102 329 HB2 PHE 53 HB2 PHE 53 4.842 -6.189 -0.665 330 HB3 PHE 53 HB1 PHE 53 3.441 -6.447 -1.699 331 HD1 PHE 53 HD1 PHE 53 2.066 -3.813 -1.213 332 HD2 PHE 53 HD2 PHE 53 6.127 -4.786 -2.028 333 HE1 PHE 53 HE1 PHE 53 2.387 -1.602 -2.218 334 HE2 PHE 53 HE2 PHE 53 6.459 -2.564 -3.031 335 HZ PHE 53 HZ PHE 53 4.587 -0.966 -3.128 336 H LYS 54 HN LYS 54 0.827 -6.870 -0.562 337 HA LYS 54 HA LYS 54 0.725 -9.109 1.182 338 HB2 LYS 54 HB2 LYS 54 -0.865 -8.016 -0.994 339 HB3 LYS 54 HB1 LYS 54 -0.784 -9.770 -1.073 340 HG2 LYS 54 HG2 LYS 54 -1.966 -10.052 0.843 341 HG3 LYS 54 HG1 LYS 54 -1.377 -8.551 1.557 342 HD2 LYS 54 HD2 LYS 54 -2.884 -7.242 0.299 343 HD3 LYS 54 HD1 LYS 54 -3.266 -8.584 -0.781 344 HE2 LYS 54 HE2 LYS 54 -3.970 -9.637 1.613 345 HE3 LYS 54 HE1 LYS 54 -4.327 -7.932 1.885 346 HZ1 LYS 54 HZ1 LYS 54 -5.620 -9.838 0.114 347 HZ2 LYS 54 HZ2 LYS 54 -5.421 -8.278 -0.507 348 HZ3 LYS 54 HZ3 LYS 54 -6.269 -8.510 0.937 349 H LYS 55 HN LYS 55 2.168 -10.701 1.140 350 HA LYS 55 HA LYS 55 4.120 -11.286 -0.595 351 HB2 LYS 55 HB2 LYS 55 3.721 -12.459 1.554 352 HB3 LYS 55 HB1 LYS 55 2.454 -13.400 0.778 353 HG2 LYS 55 HG2 LYS 55 4.165 -14.263 -0.814 354 HG3 LYS 55 HG1 LYS 55 5.395 -13.437 0.145 355 HD2 LYS 55 HD2 LYS 55 5.107 -14.844 1.963 356 HD3 LYS 55 HD1 LYS 55 3.479 -15.314 1.469 357 HE2 LYS 55 HE2 LYS 55 4.224 -16.945 0.097 358 HE3 LYS 55 HE1 LYS 55 5.635 -16.018 -0.410 359 HZ1 LYS 55 HZ1 LYS 55 6.877 -16.776 1.336 360 HZ2 LYS 55 HZ2 LYS 55 5.900 -18.130 1.065 361 HZ3 LYS 55 HZ3 LYS 55 5.538 -17.066 2.329 362 H ALA 56 HN ALA 56 4.364 -11.975 -2.614 363 HA ALA 56 HA ALA 56 2.467 -12.096 -4.515 364 HB1 ALA 56 HB1 ALA 56 4.574 -12.214 -5.403 365 HB2 ALA 56 HB2 ALA 56 4.027 -13.875 -5.636 366 HB3 ALA 56 HB3 ALA 56 5.093 -13.477 -4.286 367 H GLY 57 HN GLY 57 0.992 -13.483 -5.287 368 HA2 GLY 57 HA2 GLY 57 0.161 -15.764 -5.558 369 HA3 GLY 57 HA1 GLY 57 0.789 -16.117 -3.952 370 H THR 58 HN THR 58 -0.255 -13.253 -3.304 371 HA THR 58 HA THR 58 -2.784 -14.145 -2.253 372 HB THR 58 HB THR 58 -1.402 -11.449 -2.186 373 HG1 THR 58 HG1 THR 58 -1.589 -13.597 -0.357 374 HG21 THR 58 HG21 THR 58 -3.146 -10.528 -1.205 375 HG22 THR 58 HG22 THR 58 -3.298 -11.879 -0.079 376 HG23 THR 58 HG23 THR 58 -4.084 -11.955 -1.659 377 H VAL 59 HN VAL 59 -4.514 -14.243 -3.557 378 HA VAL 59 HA VAL 59 -4.690 -12.846 -6.005 379 HB VAL 59 HB VAL 59 -5.859 -14.975 -5.642 380 HG11 VAL 59 HG11 VAL 59 -7.618 -15.287 -4.173 381 HG12 VAL 59 HG12 VAL 59 -7.943 -13.559 -4.034 382 HG13 VAL 59 HG13 VAL 59 -6.528 -14.256 -3.246 383 HG21 VAL 59 HG21 VAL 59 -7.093 -12.572 -6.722 384 HG22 VAL 59 HG22 VAL 59 -8.270 -13.804 -6.270 385 HG23 VAL 59 HG23 VAL 59 -6.980 -14.193 -7.406 386 H CYS 60 HN CYS 60 -5.207 -10.797 -6.365 387 HA CYS 60 HA CYS 60 -6.745 -9.349 -4.311 388 HB2 CYS 60 HB2 CYS 60 -5.196 -8.015 -6.509 389 HB3 CYS 60 HB1 CYS 60 -5.689 -7.357 -4.954 390 H ARG 61 HN ARG 61 -6.831 -10.477 -7.552 391 HA ARG 61 HA ARG 61 -9.497 -9.392 -7.896 392 HB2 ARG 61 HB2 ARG 61 -7.237 -8.135 -9.103 393 HB3 ARG 61 HB1 ARG 61 -8.181 -8.895 -10.377 394 HG2 ARG 61 HG2 ARG 61 -10.154 -7.706 -9.003 395 HG3 ARG 61 HG1 ARG 61 -8.829 -6.602 -8.642 396 HD2 ARG 61 HD2 ARG 61 -10.115 -7.247 -11.258 397 HD3 ARG 61 HD1 ARG 61 -9.702 -5.679 -10.570 398 HE ARG 61 HE ARG 61 -8.117 -7.189 -12.334 399 HH11 ARG 61 HH11 ARG 61 -7.825 -5.228 -9.458 400 HH12 ARG 61 HH12 ARG 61 -6.174 -4.809 -9.764 401 HH21 ARG 61 HH21 ARG 61 -5.949 -6.642 -12.732 402 HH22 ARG 61 HH22 ARG 61 -5.110 -5.607 -11.624 403 H ILE 62 HN ILE 62 -10.172 -10.020 -10.328 404 HA ILE 62 HA ILE 62 -9.131 -12.289 -11.547 405 HB ILE 62 HB ILE 62 -9.708 -13.536 -9.560 406 HG12 ILE 62 HG12 ILE 62 -11.267 -15.201 -10.531 407 HG13 ILE 62 HG11 ILE 62 -11.679 -14.050 -11.798 408 HG21 ILE 62 HG21 ILE 62 -11.599 -11.797 -9.033 409 HG22 ILE 62 HG22 ILE 62 -11.707 -13.456 -8.443 410 HG23 ILE 62 HG23 ILE 62 -12.611 -12.968 -9.880 411 HD11 ILE 62 HD11 ILE 62 -10.130 -15.556 -12.729 412 HD12 ILE 62 HD12 ILE 62 -9.058 -15.433 -11.334 413 HD13 ILE 62 HD13 ILE 62 -9.241 -14.063 -12.429 414 H ALA 63 HN ALA 63 -10.093 -12.555 -13.470 415 HA ALA 63 HA ALA 63 -11.972 -10.655 -14.328 416 HB1 ALA 63 HB1 ALA 63 -10.340 -12.650 -15.543 417 HB2 ALA 63 HB2 ALA 63 -11.087 -11.228 -16.267 418 HB3 ALA 63 HB3 ALA 63 -11.972 -12.749 -16.206 419 H ARG 64 HN ARG 64 -12.771 -13.950 -15.213 420 HA ARG 64 HA ARG 64 -15.124 -13.903 -13.488 421 HB2 ARG 64 HB2 ARG 64 -15.716 -12.841 -15.689 422 HB3 ARG 64 HB1 ARG 64 -15.360 -14.382 -16.457 423 HG2 ARG 64 HG2 ARG 64 -17.332 -14.241 -14.219 424 HG3 ARG 64 HG1 ARG 64 -17.803 -13.788 -15.858 425 HD2 ARG 64 HD2 ARG 64 -16.596 -16.106 -16.397 426 HD3 ARG 64 HD1 ARG 64 -17.097 -16.441 -14.741 427 HE ARG 64 HE ARG 64 -19.208 -15.374 -16.361 428 HH11 ARG 64 HH11 ARG 64 -17.507 -18.289 -15.473 429 HH12 ARG 64 HH12 ARG 64 -18.833 -19.331 -15.863 430 HH21 ARG 64 HH21 ARG 64 -20.954 -16.743 -16.875 431 HH22 ARG 64 HH22 ARG 64 -20.790 -18.454 -16.660 432 H GLY 65 HN GLY 65 -14.100 -15.650 -12.399 433 HA2 GLY 65 HA2 GLY 65 -14.746 -18.072 -12.356 434 HA3 GLY 65 HA1 GLY 65 -14.046 -18.150 -13.967 435 H ASP 66 HN ASP 66 -11.940 -18.555 -14.190 436 HA ASP 66 HA ASP 66 -9.906 -17.879 -12.435 437 HB2 ASP 66 HB2 ASP 66 -9.411 -20.170 -11.469 438 HB3 ASP 66 HB1 ASP 66 -10.800 -19.338 -10.777 439 H TRP 67 HN TRP 67 -8.857 -17.478 -14.329 440 HA TRP 67 HA TRP 67 -7.991 -19.837 -15.872 441 HB2 TRP 67 HB2 TRP 67 -7.574 -17.541 -17.452 442 HB3 TRP 67 HB1 TRP 67 -8.767 -18.807 -17.708 443 HD1 TRP 67 HD1 TRP 67 -8.558 -15.515 -15.602 444 HE1 TRP 67 HE1 TRP 67 -10.865 -14.417 -15.671 445 HE3 TRP 67 HE3 TRP 67 -11.038 -19.015 -18.374 446 HZ2 TRP 67 HZ2 TRP 67 -13.405 -14.939 -16.766 447 HZ3 TRP 67 HZ3 TRP 67 -13.415 -18.635 -18.898 448 HH2 TRP 67 HH2 TRP 67 -14.574 -16.635 -18.108 449 H ASN 68 HN ASN 68 -7.039 -16.467 -15.554 450 HA ASN 68 HA ASN 68 -4.242 -17.282 -15.180 451 HB2 ASN 68 HB2 ASN 68 -5.053 -14.459 -15.735 452 HB3 ASN 68 HB1 ASN 68 -3.579 -15.307 -16.194 453 HD21 ASN 68 HD21 ASN 68 -7.056 -15.168 -16.838 454 HD22 ASN 68 HD22 ASN 68 -6.947 -15.629 -18.498 455 H ASP 69 HN ASP 69 -6.911 -15.493 -13.855 456 HA ASP 69 HA ASP 69 -7.313 -14.602 -11.810 457 HB2 ASP 69 HB2 ASP 69 -5.032 -16.437 -11.225 458 HB3 ASP 69 HB1 ASP 69 -5.634 -15.354 -9.977 459 H ASP 70 HN ASP 70 -6.355 -13.267 -10.046 460 HA ASP 70 HA ASP 70 -4.190 -11.584 -11.095 461 HB2 ASP 70 HB2 ASP 70 -6.472 -10.497 -11.029 462 HB3 ASP 70 HB1 ASP 70 -6.432 -10.689 -9.282 463 H TYR 71 HN TYR 71 -2.391 -11.729 -9.903 464 HA TYR 71 HA TYR 71 -2.736 -12.288 -7.041 465 HB2 TYR 71 HB2 TYR 71 -1.057 -13.742 -9.038 466 HB3 TYR 71 HB1 TYR 71 -0.641 -13.747 -7.325 467 HD1 TYR 71 HD2 TYR 71 -2.457 -14.429 -5.700 468 HD2 TYR 71 HD1 TYR 71 -2.639 -15.260 -9.854 469 HE1 TYR 71 HE2 TYR 71 -4.074 -16.202 -5.244 470 HE2 TYR 71 HE1 TYR 71 -4.271 -17.042 -9.444 471 HH TYR 71 HH TYR 71 -4.769 -18.597 -7.169 472 H CYS 72 HN CYS 72 -1.303 -11.561 -5.639 473 HA CYS 72 HA CYS 72 0.070 -9.177 -6.162 474 HB2 CYS 72 HB2 CYS 72 -0.303 -11.028 -3.920 475 HB3 CYS 72 HB1 CYS 72 1.244 -10.187 -3.887 476 H THR 73 HN THR 73 2.384 -8.791 -5.952 477 HA THR 73 HA THR 73 3.989 -11.054 -6.942 478 HB THR 73 HB THR 73 5.217 -9.580 -8.356 479 HG1 THR 73 HG1 THR 73 3.725 -7.423 -7.282 480 HG21 THR 73 HG21 THR 73 3.665 -9.471 -9.927 481 HG22 THR 73 HG22 THR 73 2.781 -8.224 -9.047 482 HG23 THR 73 HG23 THR 73 2.480 -9.928 -8.703 483 H GLY 74 HN GLY 74 3.586 -8.767 -4.481 484 HA2 GLY 74 HA2 GLY 74 4.800 -8.399 -2.566 485 HA3 GLY 74 HA1 GLY 74 5.877 -9.690 -3.073 486 H LYS 75 HN LYS 75 5.430 -7.142 -5.330 487 HA LYS 75 HA LYS 75 7.897 -5.830 -4.419 488 HB2 LYS 75 HB2 LYS 75 7.363 -6.359 -7.332 489 HB3 LYS 75 HB1 LYS 75 8.867 -5.862 -6.571 490 HG2 LYS 75 HG2 LYS 75 9.487 -7.984 -6.534 491 HG3 LYS 75 HG1 LYS 75 8.190 -8.304 -5.382 492 HD2 LYS 75 HD2 LYS 75 7.793 -9.825 -7.109 493 HD3 LYS 75 HD1 LYS 75 6.676 -8.501 -7.446 494 HE2 LYS 75 HE2 LYS 75 8.820 -7.658 -8.829 495 HE3 LYS 75 HE1 LYS 75 9.065 -9.401 -8.932 496 HZ1 LYS 75 HZ1 LYS 75 6.721 -7.842 -9.859 497 HZ2 LYS 75 HZ2 LYS 75 6.699 -9.527 -9.715 498 HZ3 LYS 75 HZ3 LYS 75 7.776 -8.785 -10.788 499 H SER 76 HN SER 76 4.765 -5.343 -4.839 500 HA SER 76 HA SER 76 4.976 -2.538 -5.037 501 HB2 SER 76 HB2 SER 76 4.164 -2.053 -7.188 502 HB3 SER 76 HB1 SER 76 5.344 -3.335 -7.466 503 HG SER 76 HG SER 76 3.727 -4.769 -7.787 504 H SER 77 HN SER 77 2.742 -1.515 -5.316 505 HA SER 77 HA SER 77 0.884 -3.009 -3.650 506 HB2 SER 77 HB2 SER 77 -0.262 -0.527 -4.264 507 HB3 SER 77 HB1 SER 77 0.598 -0.957 -2.786 508 HG SER 77 HG SER 77 1.617 0.812 -3.633 509 H ASP 78 HN ASP 78 1.427 -3.224 -6.756 510 HA ASP 78 HA ASP 78 -1.389 -3.058 -7.581 511 HB2 ASP 78 HB2 ASP 78 1.167 -3.085 -9.192 512 HB3 ASP 78 HB1 ASP 78 -0.430 -3.243 -9.916 513 H CYS 79 HN CYS 79 -2.449 -4.808 -8.378 514 HA CYS 79 HA CYS 79 -1.035 -7.396 -8.234 515 HB2 CYS 79 HB2 CYS 79 -3.260 -6.518 -6.770 516 HB3 CYS 79 HB1 CYS 79 -3.913 -7.615 -7.982 517 HA PRO 80 HA PRO 80 -2.259 -7.214 -12.610 518 HB2 PRO 80 HB2 PRO 80 -0.604 -9.177 -13.452 519 HB3 PRO 80 HB1 PRO 80 -0.035 -7.536 -13.122 520 HG2 PRO 80 HG2 PRO 80 0.117 -9.976 -11.390 521 HG3 PRO 80 HG1 PRO 80 1.365 -8.760 -11.719 522 HD2 PRO 80 HD2 PRO 80 -0.128 -8.746 -9.457 523 HD3 PRO 80 HD1 PRO 80 0.479 -7.259 -10.212 524 H TRP 81 HN TRP 81 -4.002 -8.186 -13.406 525 HA TRP 81 HA TRP 81 -4.842 -10.755 -12.343 526 HB2 TRP 81 HB2 TRP 81 -6.992 -10.303 -13.454 527 HB3 TRP 81 HB1 TRP 81 -6.522 -9.046 -12.323 528 HD1 TRP 81 HD1 TRP 81 -4.474 -8.060 -15.054 529 HE1 TRP 81 HE1 TRP 81 -5.662 -6.395 -16.613 530 HE3 TRP 81 HE3 TRP 81 -9.257 -8.882 -13.573 531 HZ2 TRP 81 HZ2 TRP 81 -8.308 -5.545 -17.133 532 HZ3 TRP 81 HZ3 TRP 81 -11.083 -7.612 -14.643 533 HH2 TRP 81 HH2 TRP 81 -10.610 -5.976 -16.395 534 H ASN 82 HN ASN 82 -3.354 -9.559 -15.082 535 HA ASN 82 HA ASN 82 -2.629 -10.495 -17.024 536 HB2 ASN 82 HB2 ASN 82 -3.532 -13.099 -15.774 537 HB3 ASN 82 HB1 ASN 82 -2.433 -12.924 -17.140 538 HD21 ASN 82 HD21 ASN 82 -2.295 -13.943 -14.236 539 HD22 ASN 82 HD22 ASN 82 -0.821 -13.256 -13.652 540 H HIS 83 HN HIS 83 -5.173 -9.389 -17.035 541 HA HIS 83 HA HIS 83 -6.483 -11.059 -19.065 542 HB2 HIS 83 HB2 HIS 83 -8.033 -9.453 -17.035 543 HB3 HIS 83 HB1 HIS 83 -8.657 -10.632 -18.185 544 HD1 HIS 83 HD1 HIS 83 -8.590 -10.522 -14.845 545 HD2 HIS 83 HD2 HIS 83 -6.709 -13.145 -17.456 546 HE1 HIS 83 HE1 HIS 83 -8.122 -12.592 -13.498 547 HE2 HIS 83 HE2 HIS 83 -6.879 -14.114 -15.071 Start of MODEL 19 1 H1 SER 1 HT1 SER 1 -9.478 11.433 16.741 2 H2 SER 1 HT2 SER 1 -8.708 10.781 18.129 3 H3 SER 1 HT3 SER 1 -8.609 9.960 16.625 4 HA SER 1 HA SER 1 -7.409 12.542 17.361 5 HB2 SER 1 HB2 SER 1 -6.292 9.834 16.588 6 HB3 SER 1 HB1 SER 1 -5.317 11.285 16.818 7 HG SER 1 HG SER 1 -5.248 10.479 18.788 8 HA PRO 2 HA PRO 2 -8.677 13.074 12.942 9 HB2 PRO 2 HB2 PRO 2 -7.716 15.786 13.725 10 HB3 PRO 2 HB1 PRO 2 -9.162 15.322 12.821 11 HG2 PRO 2 HG2 PRO 2 -9.342 16.078 15.366 12 HG3 PRO 2 HG1 PRO 2 -10.340 14.753 14.737 13 HD2 PRO 2 HD2 PRO 2 -7.911 14.644 16.467 14 HD3 PRO 2 HD1 PRO 2 -9.354 13.611 16.479 15 HA PRO 3 HA PRO 3 -4.642 13.120 11.111 16 HB2 PRO 3 HB2 PRO 3 -5.030 14.333 8.756 17 HB3 PRO 3 HB1 PRO 3 -5.793 12.782 9.126 18 HG2 PRO 3 HG2 PRO 3 -6.962 15.538 9.232 19 HG3 PRO 3 HG1 PRO 3 -7.667 14.050 8.572 20 HD2 PRO 3 HD2 PRO 3 -8.267 15.035 11.050 21 HD3 PRO 3 HD1 PRO 3 -8.344 13.311 10.635 22 H VAL 4 HN VAL 4 -2.861 14.261 11.544 23 HA VAL 4 HA VAL 4 -2.780 17.095 10.970 24 HB VAL 4 HB VAL 4 -3.605 17.224 13.200 25 HG11 VAL 4 HG11 VAL 4 -2.875 15.966 15.005 26 HG12 VAL 4 HG12 VAL 4 -1.322 15.602 14.252 27 HG13 VAL 4 HG13 VAL 4 -2.789 14.813 13.672 28 HG21 VAL 4 HG21 VAL 4 -2.101 18.738 13.968 29 HG22 VAL 4 HG22 VAL 4 -1.374 18.462 12.383 30 HG23 VAL 4 HG23 VAL 4 -0.739 17.629 13.803 31 H CYS 5 HN CYS 5 -1.253 16.505 9.476 32 HA CYS 5 HA CYS 5 1.396 16.848 10.120 33 HB2 CYS 5 HB2 CYS 5 0.538 14.091 10.475 34 HB3 CYS 5 HB1 CYS 5 1.780 14.216 9.236 35 H GLY 6 HN GLY 6 1.321 18.151 8.319 36 HA2 GLY 6 HA2 GLY 6 1.168 18.718 6.083 37 HA3 GLY 6 HA1 GLY 6 1.810 17.103 5.776 38 H ASN 7 HN ASN 7 -1.116 17.544 7.569 39 HA ASN 7 HA ASN 7 -3.255 16.884 7.253 40 HB2 ASN 7 HB2 ASN 7 -2.507 18.178 4.721 41 HB3 ASN 7 HB1 ASN 7 -3.836 17.028 4.570 42 HD21 ASN 7 HD21 ASN 7 -2.853 20.111 5.653 43 HD22 ASN 7 HD22 ASN 7 -4.375 20.629 6.286 44 H LYS 8 HN LYS 8 -3.413 14.755 7.667 45 HA LYS 8 HA LYS 8 -2.125 12.634 6.748 46 HB2 LYS 8 HB2 LYS 8 -4.028 12.547 8.345 47 HB3 LYS 8 HB1 LYS 8 -5.136 12.618 6.981 48 HG2 LYS 8 HG2 LYS 8 -3.062 10.465 7.243 49 HG3 LYS 8 HG1 LYS 8 -4.653 10.335 7.994 50 HD2 LYS 8 HD2 LYS 8 -5.257 11.087 5.421 51 HD3 LYS 8 HD1 LYS 8 -3.864 10.025 5.199 52 HE2 LYS 8 HE2 LYS 8 -5.200 8.506 6.896 53 HE3 LYS 8 HE1 LYS 8 -6.574 9.418 6.271 54 HZ1 LYS 8 HZ1 LYS 8 -6.168 7.357 5.039 55 HZ2 LYS 8 HZ2 LYS 8 -4.634 7.916 4.598 56 HZ3 LYS 8 HZ3 LYS 8 -6.016 8.721 4.050 57 H ILE 9 HN ILE 9 -1.378 12.484 4.707 58 HA ILE 9 HA ILE 9 -2.375 13.359 2.387 59 HB ILE 9 HB ILE 9 -1.417 11.260 1.245 60 HG12 ILE 9 HG12 ILE 9 0.355 10.195 2.767 61 HG13 ILE 9 HG11 ILE 9 -0.613 10.797 4.114 62 HG21 ILE 9 HG21 ILE 9 0.950 12.150 2.109 63 HG22 ILE 9 HG22 ILE 9 -0.084 13.446 2.703 64 HG23 ILE 9 HG23 ILE 9 -0.068 13.046 0.986 65 HD11 ILE 9 HD11 ILE 9 -1.281 8.581 3.804 66 HD12 ILE 9 HD12 ILE 9 -1.339 8.753 2.050 67 HD13 ILE 9 HD13 ILE 9 -2.553 9.538 3.054 68 H LEU 10 HN LEU 10 -3.552 12.556 0.632 69 HA LEU 10 HA LEU 10 -5.669 10.684 1.422 70 HB2 LEU 10 HB2 LEU 10 -7.105 11.986 -0.194 71 HB3 LEU 10 HB1 LEU 10 -6.649 12.820 1.281 72 HG LEU 10 HG LEU 10 -6.576 14.145 -0.893 73 HD11 LEU 10 HD11 LEU 10 -5.272 15.581 0.195 74 HD12 LEU 10 HD12 LEU 10 -3.906 14.465 0.208 75 HD13 LEU 10 HD13 LEU 10 -5.158 14.340 1.444 76 HD21 LEU 10 HD21 LEU 10 -4.679 13.953 -2.304 77 HD22 LEU 10 HD22 LEU 10 -5.398 12.348 -2.177 78 HD23 LEU 10 HD23 LEU 10 -3.946 12.740 -1.256 79 H GLU 11 HN GLU 11 -3.028 10.582 -0.200 80 HA GLU 11 HA GLU 11 -3.766 8.472 -1.896 81 HB2 GLU 11 HB2 GLU 11 -3.499 9.456 -4.088 82 HB3 GLU 11 HB1 GLU 11 -4.768 10.308 -3.218 83 HG2 GLU 11 HG2 GLU 11 -2.775 11.902 -2.564 84 HG3 GLU 11 HG1 GLU 11 -2.072 11.238 -4.038 85 H GLN 12 HN GLN 12 -1.725 8.900 0.010 86 HA GLN 12 HA GLN 12 0.492 7.886 -1.379 87 HB2 GLN 12 HB2 GLN 12 2.064 9.845 -0.851 88 HB3 GLN 12 HB1 GLN 12 1.027 9.976 -2.263 89 HG2 GLN 12 HG2 GLN 12 -0.484 11.092 -0.258 90 HG3 GLN 12 HG1 GLN 12 1.158 11.605 0.133 91 HE21 GLN 12 HE21 GLN 12 1.382 13.611 -0.551 92 HE22 GLN 12 HE22 GLN 12 0.926 14.212 -2.106 93 H GLY 13 HN GLY 13 -0.468 6.694 0.669 94 HA2 GLY 13 HA2 GLY 13 0.211 7.495 3.256 95 HA3 GLY 13 HA1 GLY 13 0.040 5.825 2.737 96 H GLU 14 HN GLU 14 2.209 6.257 0.717 97 HA GLU 14 HA GLU 14 4.527 6.269 2.544 98 HB2 GLU 14 HB2 GLU 14 5.549 4.523 1.197 99 HB3 GLU 14 HB1 GLU 14 3.988 3.978 1.784 100 HG2 GLU 14 HG2 GLU 14 3.188 3.708 -0.276 101 HG3 GLU 14 HG1 GLU 14 3.818 5.262 -0.815 102 H ASP 15 HN ASP 15 3.144 7.209 -0.496 103 HA ASP 15 HA ASP 15 5.431 8.005 -1.878 104 HB2 ASP 15 HB2 ASP 15 2.609 8.282 -2.161 105 HB3 ASP 15 HB1 ASP 15 3.324 9.879 -2.370 106 H CYS 16 HN CYS 16 3.808 9.347 0.845 107 HA CYS 16 HA CYS 16 5.771 10.904 1.834 108 HB2 CYS 16 HB2 CYS 16 6.005 12.310 -0.009 109 HB3 CYS 16 HB1 CYS 16 4.278 12.339 -0.334 110 H ASP 17 HN ASP 17 5.054 12.410 3.477 111 HA ASP 17 HA ASP 17 3.770 12.960 5.257 112 HB2 ASP 17 HB2 ASP 17 2.215 13.458 2.912 113 HB3 ASP 17 HB1 ASP 17 1.142 12.890 4.188 114 H CYS 18 HN CYS 18 4.140 11.047 6.410 115 HA CYS 18 HA CYS 18 3.084 8.583 6.266 116 HB2 CYS 18 HB2 CYS 18 4.560 9.619 8.112 117 HB3 CYS 18 HB1 CYS 18 3.049 10.065 8.903 118 H GLY 19 HN GLY 19 1.397 11.475 7.369 119 HA2 GLY 19 HA2 GLY 19 -0.874 11.870 7.364 120 HA3 GLY 19 HA1 GLY 19 -1.141 10.221 6.816 121 H SER 20 HN SER 20 0.713 9.452 9.188 122 HA SER 20 HA SER 20 -1.462 9.324 11.103 123 HB2 SER 20 HB2 SER 20 1.065 7.863 11.597 124 HB3 SER 20 HB1 SER 20 -0.600 7.364 11.889 125 HG SER 20 HG SER 20 0.965 6.779 9.812 126 HA PRO 21 HA PRO 21 0.862 12.796 12.906 127 HB2 PRO 21 HB2 PRO 21 -1.160 13.243 14.762 128 HB3 PRO 21 HB1 PRO 21 -1.016 14.025 13.188 129 HG2 PRO 21 HG2 PRO 21 -2.653 11.650 13.972 130 HG3 PRO 21 HG1 PRO 21 -3.091 13.014 12.926 131 HD2 PRO 21 HD2 PRO 21 -2.418 10.675 11.866 132 HD3 PRO 21 HD1 PRO 21 -1.843 12.186 11.124 133 H ALA 22 HN ALA 22 -0.528 9.930 14.301 134 HA ALA 22 HA ALA 22 0.374 10.187 16.940 135 HB1 ALA 22 HB1 ALA 22 0.391 7.536 16.668 136 HB2 ALA 22 HB2 ALA 22 -0.519 7.955 15.216 137 HB3 ALA 22 HB3 ALA 22 -1.099 8.470 16.800 138 H ASN 23 HN ASN 23 2.140 9.639 14.049 139 HA ASN 23 HA ASN 23 4.521 9.018 15.662 140 HB2 ASN 23 HB2 ASN 23 3.508 7.659 13.203 141 HB3 ASN 23 HB1 ASN 23 5.249 7.795 13.434 142 HD21 ASN 23 HD21 ASN 23 2.567 5.950 14.043 143 HD22 ASN 23 HD22 ASN 23 3.191 4.970 15.321 144 H CYS 24 HN CYS 24 4.064 9.580 12.185 145 HA CYS 24 HA CYS 24 5.024 11.051 10.750 146 HB2 CYS 24 HB2 CYS 24 4.952 12.890 13.150 147 HB3 CYS 24 HB1 CYS 24 5.209 13.398 11.483 148 H GLN 25 HN GLN 25 6.671 9.320 12.510 149 HA GLN 25 HA GLN 25 9.209 10.029 11.604 150 HB2 GLN 25 HB2 GLN 25 8.434 11.191 14.202 151 HB3 GLN 25 HB1 GLN 25 9.980 10.355 14.201 152 HG2 GLN 25 HG2 GLN 25 9.705 12.085 11.903 153 HG3 GLN 25 HG1 GLN 25 9.493 12.965 13.416 154 HE21 GLN 25 HE21 GLN 25 11.699 11.636 11.248 155 HE22 GLN 25 HE22 GLN 25 13.131 11.830 12.195 156 H ASP 26 HN ASP 26 7.498 7.759 11.842 157 HA ASP 26 HA ASP 26 9.327 5.771 12.550 158 HB2 ASP 26 HB2 ASP 26 8.323 6.843 14.835 159 HB3 ASP 26 HB1 ASP 26 7.148 5.565 14.539 160 H ARG 27 HN ARG 27 7.464 3.763 13.412 161 HA ARG 27 HA ARG 27 5.994 2.263 12.562 162 HB2 ARG 27 HB2 ARG 27 4.318 3.969 12.864 163 HB3 ARG 27 HB1 ARG 27 4.785 4.761 11.367 164 HG2 ARG 27 HG2 ARG 27 3.443 3.465 10.164 165 HG3 ARG 27 HG1 ARG 27 4.066 1.997 10.919 166 HD2 ARG 27 HD2 ARG 27 1.980 1.838 11.750 167 HD3 ARG 27 HD1 ARG 27 2.574 2.998 12.937 168 HE ARG 27 HE ARG 27 1.477 4.225 10.584 169 HH11 ARG 27 HH11 ARG 27 0.728 2.895 13.722 170 HH12 ARG 27 HH12 ARG 27 -0.733 3.807 13.899 171 HH21 ARG 27 HH21 ARG 27 -0.444 5.426 10.815 172 HH22 ARG 27 HH22 ARG 27 -1.399 5.244 12.248 173 H CYS 28 HN CYS 28 5.491 4.166 9.667 174 HA CYS 28 HA CYS 28 7.576 2.832 8.202 175 HB2 CYS 28 HB2 CYS 28 5.808 1.933 6.528 176 HB3 CYS 28 HB1 CYS 28 6.166 1.011 7.982 177 H CYS 29 HN CYS 29 6.486 5.567 8.803 178 HA CYS 29 HA CYS 29 7.013 6.693 6.256 179 HB2 CYS 29 HB2 CYS 29 4.738 7.949 6.215 180 HB3 CYS 29 HB1 CYS 29 4.849 6.337 5.525 181 H ASN 30 HN ASN 30 7.432 8.824 6.287 182 HA ASN 30 HA ASN 30 7.514 10.007 8.970 183 HB2 ASN 30 HB2 ASN 30 9.520 9.662 7.012 184 HB3 ASN 30 HB1 ASN 30 9.181 11.386 7.094 185 HD21 ASN 30 HD21 ASN 30 11.199 9.209 8.173 186 HD22 ASN 30 HD22 ASN 30 11.568 9.834 9.742 187 H ALA 31 HN ALA 31 5.566 11.051 9.016 188 HA ALA 31 HA ALA 31 4.565 12.664 6.911 189 HB1 ALA 31 HB1 ALA 31 2.757 12.636 8.220 190 HB2 ALA 31 HB2 ALA 31 3.609 13.604 9.418 191 HB3 ALA 31 HB3 ALA 31 3.693 11.847 9.490 192 H ALA 32 HN ALA 32 7.180 12.981 8.918 193 HA ALA 32 HA ALA 32 7.241 15.873 9.125 194 HB1 ALA 32 HB1 ALA 32 9.262 15.506 10.375 195 HB2 ALA 32 HB2 ALA 32 9.348 13.828 9.820 196 HB3 ALA 32 HB3 ALA 32 8.060 14.335 10.923 197 H THR 33 HN THR 33 8.987 13.244 7.565 198 HA THR 33 HA THR 33 10.659 15.071 6.053 199 HB THR 33 HB THR 33 11.087 12.640 7.187 200 HG1 THR 33 HG1 THR 33 12.733 14.022 6.555 201 HG21 THR 33 HG21 THR 33 9.764 11.555 5.385 202 HG22 THR 33 HG22 THR 33 11.403 10.954 5.616 203 HG23 THR 33 HG23 THR 33 11.040 12.033 4.267 204 H CYS 34 HN CYS 34 7.637 13.732 5.646 205 HA CYS 34 HA CYS 34 6.222 13.645 3.880 206 HB2 CYS 34 HB2 CYS 34 7.003 15.790 3.179 207 HB3 CYS 34 HB1 CYS 34 8.499 15.120 2.552 208 H LYS 35 HN LYS 35 8.158 11.427 4.483 209 HA LYS 35 HA LYS 35 7.662 9.992 2.011 210 HB2 LYS 35 HB2 LYS 35 10.376 10.887 2.779 211 HB3 LYS 35 HB1 LYS 35 10.224 9.228 2.217 212 HG2 LYS 35 HG2 LYS 35 8.791 11.043 0.493 213 HG3 LYS 35 HG1 LYS 35 10.484 11.511 0.656 214 HD2 LYS 35 HD2 LYS 35 10.077 8.638 0.291 215 HD3 LYS 35 HD1 LYS 35 9.517 9.615 -1.067 216 HE2 LYS 35 HE2 LYS 35 11.753 10.760 -1.032 217 HE3 LYS 35 HE1 LYS 35 12.275 9.554 0.143 218 HZ1 LYS 35 HZ1 LYS 35 12.845 9.070 -2.231 219 HZ2 LYS 35 HZ2 LYS 35 11.194 8.843 -2.524 220 HZ3 LYS 35 HZ3 LYS 35 12.005 7.836 -1.433 221 H LEU 36 HN LEU 36 7.673 7.777 2.210 222 HA LEU 36 HA LEU 36 7.103 6.715 4.721 223 HB2 LEU 36 HB2 LEU 36 7.019 4.584 3.706 224 HB3 LEU 36 HB1 LEU 36 6.450 5.731 2.512 225 HG LEU 36 HG LEU 36 9.246 4.599 2.559 226 HD11 LEU 36 HD11 LEU 36 8.532 2.781 1.490 227 HD12 LEU 36 HD12 LEU 36 7.563 3.742 0.372 228 HD13 LEU 36 HD13 LEU 36 6.887 3.252 1.927 229 HD21 LEU 36 HD21 LEU 36 9.120 6.734 1.438 230 HD22 LEU 36 HD22 LEU 36 7.718 6.203 0.509 231 HD23 LEU 36 HD23 LEU 36 9.291 5.455 0.236 232 H THR 37 HN THR 37 8.301 5.332 6.114 233 HA THR 37 HA THR 37 11.108 6.029 6.195 234 HB THR 37 HB THR 37 10.955 4.681 8.398 235 HG1 THR 37 HG1 THR 37 8.825 4.518 9.176 236 HG21 THR 37 HG21 THR 37 11.098 7.013 8.584 237 HG22 THR 37 HG22 THR 37 9.686 6.541 9.530 238 HG23 THR 37 HG23 THR 37 9.477 7.245 7.926 239 HA PRO 38 HA PRO 38 13.121 2.451 4.655 240 HB2 PRO 38 HB2 PRO 38 14.432 2.323 7.339 241 HB3 PRO 38 HB1 PRO 38 15.162 2.272 5.729 242 HG2 PRO 38 HG2 PRO 38 15.277 4.491 7.175 243 HG3 PRO 38 HG1 PRO 38 14.968 4.572 5.430 244 HD2 PRO 38 HD2 PRO 38 13.077 4.923 7.710 245 HD3 PRO 38 HD1 PRO 38 13.108 5.735 6.132 246 H GLY 39 HN GLY 39 12.971 0.235 4.709 247 HA2 GLY 39 HA2 GLY 39 12.521 -1.869 5.682 248 HA3 GLY 39 HA1 GLY 39 11.833 -1.051 7.077 249 H SER 40 HN SER 40 10.147 0.714 5.517 250 HA SER 40 HA SER 40 7.918 -1.062 5.165 251 HB2 SER 40 HB2 SER 40 7.596 1.151 6.167 252 HB3 SER 40 HB1 SER 40 8.165 1.919 4.686 253 HG SER 40 HG SER 40 6.211 1.763 3.964 254 H GLN 41 HN GLN 41 7.495 -2.130 3.355 255 HA GLN 41 HA GLN 41 8.854 -1.558 0.908 256 HB2 GLN 41 HB2 GLN 41 6.455 -3.361 1.201 257 HB3 GLN 41 HB1 GLN 41 7.753 -3.466 0.019 258 HG2 GLN 41 HG2 GLN 41 9.185 -3.741 2.262 259 HG3 GLN 41 HG1 GLN 41 7.647 -4.404 2.813 260 HE21 GLN 41 HE21 GLN 41 7.406 -6.493 2.525 261 HE22 GLN 41 HE22 GLN 41 8.186 -7.457 1.322 262 H CYS 42 HN CYS 42 5.554 -1.124 2.084 263 HA CYS 42 HA CYS 42 5.104 1.111 0.393 264 HB2 CYS 42 HB2 CYS 42 4.862 -0.645 -1.303 265 HB3 CYS 42 HB1 CYS 42 3.640 -1.439 -0.314 266 H ASN 43 HN ASN 43 3.306 2.278 1.010 267 HA ASN 43 HA ASN 43 1.930 1.242 3.381 268 HB2 ASN 43 HB2 ASN 43 3.233 3.406 3.527 269 HB3 ASN 43 HB1 ASN 43 2.016 4.114 2.469 270 HD21 ASN 43 HD21 ASN 43 -0.250 3.918 3.228 271 HD22 ASN 43 HD22 ASN 43 -0.547 4.087 4.921 272 H TYR 44 HN TYR 44 1.395 2.643 0.198 273 HA TYR 44 HA TYR 44 -1.439 1.884 0.444 274 HB2 TYR 44 HB2 TYR 44 -2.232 3.905 -0.227 275 HB3 TYR 44 HB1 TYR 44 -0.719 4.477 0.465 276 HD1 TYR 44 HD2 TYR 44 -2.231 3.376 -2.768 277 HD2 TYR 44 HD1 TYR 44 0.755 5.722 -0.842 278 HE1 TYR 44 HE2 TYR 44 -1.626 4.372 -4.931 279 HE2 TYR 44 HE1 TYR 44 1.369 6.722 -3.004 280 HH TYR 44 HH TYR 44 1.197 6.092 -5.440 281 H GLY 45 HN GLY 45 -2.337 0.866 -1.273 282 HA2 GLY 45 HA2 GLY 45 -1.991 0.907 -3.883 283 HA3 GLY 45 HA1 GLY 45 -0.507 0.092 -3.418 284 H GLU 46 HN GLU 46 -2.263 -1.136 -5.097 285 HA GLU 46 HA GLU 46 -4.231 -2.738 -3.945 286 HB2 GLU 46 HB2 GLU 46 -2.552 -2.923 -6.405 287 HB3 GLU 46 HB1 GLU 46 -3.490 -4.331 -5.925 288 HG2 GLU 46 HG2 GLU 46 -5.435 -3.404 -6.531 289 HG3 GLU 46 HG1 GLU 46 -4.986 -1.814 -5.917 290 H CYS 47 HN CYS 47 -0.752 -3.137 -4.056 291 HA CYS 47 HA CYS 47 -1.027 -5.706 -2.635 292 HB2 CYS 47 HB2 CYS 47 0.935 -4.670 -4.606 293 HB3 CYS 47 HB1 CYS 47 1.581 -5.672 -3.313 294 H CYS 48 HN CYS 48 -1.124 -2.922 -1.493 295 HA CYS 48 HA CYS 48 1.211 -3.151 0.291 296 HB2 CYS 48 HB2 CYS 48 -0.383 -0.632 -0.149 297 HB3 CYS 48 HB1 CYS 48 1.211 -0.798 0.580 298 H ASP 49 HN ASP 49 0.833 -3.680 2.318 299 HA ASP 49 HA ASP 49 -1.732 -2.965 3.545 300 HB2 ASP 49 HB2 ASP 49 -1.818 -5.335 2.731 301 HB3 ASP 49 HB1 ASP 49 -0.479 -5.704 3.812 302 H GLN 50 HN GLN 50 -1.453 -2.009 5.440 303 HA GLN 50 HA GLN 50 -0.556 -1.302 7.399 304 HB2 GLN 50 HB2 GLN 50 0.468 -4.051 7.122 305 HB3 GLN 50 HB1 GLN 50 1.409 -3.019 8.190 306 HG2 GLN 50 HG2 GLN 50 -1.054 -2.459 9.085 307 HG3 GLN 50 HG1 GLN 50 -1.311 -4.106 8.509 308 HE21 GLN 50 HE21 GLN 50 0.623 -2.103 10.649 309 HE22 GLN 50 HE22 GLN 50 1.064 -3.367 11.741 310 H CYS 51 HN CYS 51 2.399 -2.889 6.275 311 HA CYS 51 HA CYS 51 3.537 -0.369 5.396 312 HB2 CYS 51 HB2 CYS 51 4.837 -1.880 7.667 313 HB3 CYS 51 HB1 CYS 51 5.387 -0.375 6.945 314 H ARG 52 HN ARG 52 2.991 -3.239 4.463 315 HA ARG 52 HA ARG 52 5.536 -3.541 3.089 316 HB2 ARG 52 HB2 ARG 52 4.291 -5.843 4.602 317 HB3 ARG 52 HB1 ARG 52 5.740 -5.914 3.609 318 HG2 ARG 52 HG2 ARG 52 6.626 -4.094 5.239 319 HG3 ARG 52 HG1 ARG 52 5.350 -4.691 6.301 320 HD2 ARG 52 HD2 ARG 52 6.958 -6.129 6.964 321 HD3 ARG 52 HD1 ARG 52 6.441 -7.025 5.536 322 HE ARG 52 HE ARG 52 8.484 -6.617 4.616 323 HH11 ARG 52 HH11 ARG 52 7.926 -4.254 7.123 324 HH12 ARG 52 HH12 ARG 52 9.507 -3.561 6.995 325 HH21 ARG 52 HH21 ARG 52 10.565 -5.707 4.447 326 HH22 ARG 52 HH22 ARG 52 11.006 -4.385 5.476 327 H PHE 53 HN PHE 53 5.286 -5.582 1.537 328 HA PHE 53 HA PHE 53 2.959 -4.990 -0.056 329 HB2 PHE 53 HB2 PHE 53 5.377 -6.726 -0.482 330 HB3 PHE 53 HB1 PHE 53 4.001 -6.802 -1.578 331 HD1 PHE 53 HD2 PHE 53 3.303 -3.842 -1.456 332 HD2 PHE 53 HD1 PHE 53 6.983 -5.905 -2.001 333 HE1 PHE 53 HE2 PHE 53 4.181 -1.928 -2.701 334 HE2 PHE 53 HE1 PHE 53 7.875 -3.984 -3.255 335 HZ PHE 53 HZ PHE 53 6.473 -1.989 -3.609 336 H LYS 54 HN LYS 54 1.221 -6.281 -0.454 337 HA LYS 54 HA LYS 54 0.543 -8.239 1.467 338 HB2 LYS 54 HB2 LYS 54 -0.704 -6.992 -0.843 339 HB3 LYS 54 HB1 LYS 54 -1.084 -8.708 -0.758 340 HG2 LYS 54 HG2 LYS 54 -2.196 -8.501 1.249 341 HG3 LYS 54 HG1 LYS 54 -1.361 -7.007 1.677 342 HD2 LYS 54 HD2 LYS 54 -2.623 -5.766 0.060 343 HD3 LYS 54 HD1 LYS 54 -3.341 -7.245 -0.584 344 HE2 LYS 54 HE2 LYS 54 -4.035 -7.461 2.011 345 HE3 LYS 54 HE1 LYS 54 -4.010 -5.706 1.840 346 HZ1 LYS 54 HZ1 LYS 54 -6.137 -7.139 1.279 347 HZ2 LYS 54 HZ2 LYS 54 -5.386 -7.233 -0.233 348 HZ3 LYS 54 HZ3 LYS 54 -5.765 -5.724 0.429 349 H LYS 55 HN LYS 55 1.868 -9.959 1.597 350 HA LYS 55 HA LYS 55 3.487 -11.254 0.008 351 HB2 LYS 55 HB2 LYS 55 2.870 -13.403 1.014 352 HB3 LYS 55 HB1 LYS 55 2.930 -12.114 2.210 353 HG2 LYS 55 HG2 LYS 55 0.652 -12.116 2.519 354 HG3 LYS 55 HG1 LYS 55 0.335 -12.799 0.923 355 HD2 LYS 55 HD2 LYS 55 -0.089 -14.383 2.797 356 HD3 LYS 55 HD1 LYS 55 1.100 -14.962 1.629 357 HE2 LYS 55 HE2 LYS 55 2.909 -14.325 3.106 358 HE3 LYS 55 HE1 LYS 55 1.763 -13.628 4.252 359 HZ1 LYS 55 HZ1 LYS 55 2.147 -15.683 5.159 360 HZ2 LYS 55 HZ2 LYS 55 2.312 -16.455 3.663 361 HZ3 LYS 55 HZ3 LYS 55 0.777 -16.015 4.221 362 H ALA 56 HN ALA 56 3.582 -12.497 -1.761 363 HA ALA 56 HA ALA 56 1.725 -12.340 -3.763 364 HB1 ALA 56 HB1 ALA 56 3.941 -14.260 -3.220 365 HB2 ALA 56 HB2 ALA 56 3.773 -13.071 -4.511 366 HB3 ALA 56 HB3 ALA 56 2.835 -14.565 -4.561 367 H GLY 57 HN GLY 57 0.071 -13.609 -4.492 368 HA2 GLY 57 HA2 GLY 57 -1.312 -15.577 -4.417 369 HA3 GLY 57 HA1 GLY 57 -0.754 -15.858 -2.772 370 H THR 58 HN THR 58 -1.122 -12.774 -2.500 371 HA THR 58 HA THR 58 -3.756 -12.937 -1.360 372 HB THR 58 HB THR 58 -1.858 -10.594 -1.687 373 HG1 THR 58 HG1 THR 58 -1.328 -11.003 0.419 374 HG21 THR 58 HG21 THR 58 -4.559 -10.474 -1.089 375 HG22 THR 58 HG22 THR 58 -3.341 -9.224 -0.802 376 HG23 THR 58 HG23 THR 58 -3.743 -10.377 0.473 377 H VAL 59 HN VAL 59 -5.541 -12.763 -2.569 378 HA VAL 59 HA VAL 59 -5.461 -11.727 -5.218 379 HB VAL 59 HB VAL 59 -7.006 -13.535 -4.614 380 HG11 VAL 59 HG11 VAL 59 -8.558 -13.435 -2.985 381 HG12 VAL 59 HG12 VAL 59 -8.935 -11.742 -3.303 382 HG13 VAL 59 HG13 VAL 59 -7.511 -12.164 -2.351 383 HG21 VAL 59 HG21 VAL 59 -8.331 -11.003 -5.568 384 HG22 VAL 59 HG22 VAL 59 -9.050 -12.609 -5.684 385 HG23 VAL 59 HG23 VAL 59 -7.563 -12.243 -6.559 386 H CYS 60 HN CYS 60 -5.608 -9.685 -5.847 387 HA CYS 60 HA CYS 60 -6.822 -7.734 -4.000 388 HB2 CYS 60 HB2 CYS 60 -5.051 -6.991 -6.308 389 HB3 CYS 60 HB1 CYS 60 -5.413 -6.065 -4.856 390 H ARG 61 HN ARG 61 -7.160 -9.219 -7.068 391 HA ARG 61 HA ARG 61 -9.557 -7.672 -7.592 392 HB2 ARG 61 HB2 ARG 61 -7.180 -6.897 -8.827 393 HB3 ARG 61 HB1 ARG 61 -8.010 -7.845 -10.052 394 HG2 ARG 61 HG2 ARG 61 -10.029 -6.277 -9.142 395 HG3 ARG 61 HG1 ARG 61 -8.646 -5.204 -8.954 396 HD2 ARG 61 HD2 ARG 61 -9.830 -6.375 -11.430 397 HD3 ARG 61 HD1 ARG 61 -9.318 -4.722 -11.107 398 HE ARG 61 HE ARG 61 -7.792 -6.697 -12.374 399 HH11 ARG 61 HH11 ARG 61 -7.441 -4.208 -9.946 400 HH12 ARG 61 HH12 ARG 61 -5.737 -4.040 -10.191 401 HH21 ARG 61 HH21 ARG 61 -5.554 -6.475 -12.689 402 HH22 ARG 61 HH22 ARG 61 -4.666 -5.321 -11.751 403 H ILE 62 HN ILE 62 -10.369 -8.453 -9.927 404 HA ILE 62 HA ILE 62 -9.838 -10.997 -10.878 405 HB ILE 62 HB ILE 62 -10.553 -11.874 -8.730 406 HG12 ILE 62 HG12 ILE 62 -12.408 -13.344 -9.495 407 HG13 ILE 62 HG11 ILE 62 -12.612 -12.308 -10.904 408 HG21 ILE 62 HG21 ILE 62 -12.084 -9.813 -8.355 409 HG22 ILE 62 HG22 ILE 62 -12.541 -11.369 -7.663 410 HG23 ILE 62 HG23 ILE 62 -13.309 -10.804 -9.148 411 HD11 ILE 62 HD11 ILE 62 -10.268 -14.053 -10.222 412 HD12 ILE 62 HD12 ILE 62 -10.234 -12.840 -11.502 413 HD13 ILE 62 HD13 ILE 62 -11.367 -14.189 -11.594 414 H ALA 63 HN ALA 63 -10.928 -11.283 -12.734 415 HA ALA 63 HA ALA 63 -12.498 -9.160 -13.715 416 HB1 ALA 63 HB1 ALA 63 -12.947 -11.291 -15.439 417 HB2 ALA 63 HB2 ALA 63 -11.339 -11.574 -14.774 418 HB3 ALA 63 HB3 ALA 63 -11.703 -10.051 -15.580 419 H ARG 64 HN ARG 64 -13.886 -12.308 -14.328 420 HA ARG 64 HA ARG 64 -16.090 -11.769 -12.493 421 HB2 ARG 64 HB2 ARG 64 -16.226 -11.533 -15.413 422 HB3 ARG 64 HB1 ARG 64 -17.467 -12.573 -14.730 423 HG2 ARG 64 HG2 ARG 64 -18.552 -10.584 -14.627 424 HG3 ARG 64 HG1 ARG 64 -17.743 -10.544 -13.059 425 HD2 ARG 64 HD2 ARG 64 -15.839 -9.350 -14.297 426 HD3 ARG 64 HD1 ARG 64 -17.012 -9.107 -15.590 427 HE ARG 64 HE ARG 64 -18.312 -8.185 -13.409 428 HH11 ARG 64 HH11 ARG 64 -15.158 -7.528 -14.750 429 HH12 ARG 64 HH12 ARG 64 -15.109 -5.900 -14.162 430 HH21 ARG 64 HH21 ARG 64 -18.250 -6.044 -12.636 431 HH22 ARG 64 HH22 ARG 64 -16.865 -5.057 -12.962 432 H GLY 65 HN GLY 65 -15.320 -13.630 -11.358 433 HA2 GLY 65 HA2 GLY 65 -16.419 -15.893 -11.194 434 HA3 GLY 65 HA1 GLY 65 -15.769 -16.163 -12.804 435 H ASP 66 HN ASP 66 -13.796 -16.992 -13.010 436 HA ASP 66 HA ASP 66 -11.645 -16.612 -11.283 437 HB2 ASP 66 HB2 ASP 66 -13.517 -18.722 -10.465 438 HB3 ASP 66 HB1 ASP 66 -11.844 -19.260 -10.583 439 H TRP 67 HN TRP 67 -10.567 -16.453 -13.205 440 HA TRP 67 HA TRP 67 -10.126 -18.977 -14.669 441 HB2 TRP 67 HB2 TRP 67 -9.336 -16.823 -16.317 442 HB3 TRP 67 HB1 TRP 67 -10.716 -17.891 -16.545 443 HD1 TRP 67 HD1 TRP 67 -9.957 -14.600 -14.582 444 HE1 TRP 67 HE1 TRP 67 -12.069 -13.161 -14.650 445 HE3 TRP 67 HE3 TRP 67 -13.019 -17.785 -17.144 446 HZ2 TRP 67 HZ2 TRP 67 -14.692 -13.330 -15.680 447 HZ3 TRP 67 HZ3 TRP 67 -15.321 -17.065 -17.641 448 HH2 TRP 67 HH2 TRP 67 -16.139 -14.879 -16.921 449 H ASN 68 HN ASN 68 -8.621 -15.805 -14.463 450 HA ASN 68 HA ASN 68 -5.994 -17.059 -14.079 451 HB2 ASN 68 HB2 ASN 68 -6.356 -14.145 -14.637 452 HB3 ASN 68 HB1 ASN 68 -5.029 -15.210 -15.092 453 HD21 ASN 68 HD21 ASN 68 -8.410 -14.456 -15.764 454 HD22 ASN 68 HD22 ASN 68 -8.385 -14.961 -17.415 455 H ASP 69 HN ASP 69 -8.132 -14.509 -12.935 456 HA ASP 69 HA ASP 69 -8.431 -13.618 -10.857 457 HB2 ASP 69 HB2 ASP 69 -7.530 -16.107 -10.273 458 HB3 ASP 69 HB1 ASP 69 -6.263 -15.118 -9.558 459 H ASP 70 HN ASP 70 -7.330 -12.253 -9.286 460 HA ASP 70 HA ASP 70 -4.825 -11.186 -10.381 461 HB2 ASP 70 HB2 ASP 70 -6.854 -9.681 -10.472 462 HB3 ASP 70 HB1 ASP 70 -6.841 -9.692 -8.716 463 H TYR 71 HN TYR 71 -3.100 -11.550 -9.180 464 HA TYR 71 HA TYR 71 -3.481 -11.732 -6.275 465 HB2 TYR 71 HB2 TYR 71 -2.167 -13.696 -8.107 466 HB3 TYR 71 HB1 TYR 71 -1.728 -13.603 -6.402 467 HD1 TYR 71 HD1 TYR 71 -3.636 -13.703 -4.728 468 HD2 TYR 71 HD2 TYR 71 -3.997 -14.983 -8.753 469 HE1 TYR 71 HE1 TYR 71 -5.565 -15.058 -4.091 470 HE2 TYR 71 HE2 TYR 71 -5.941 -16.352 -8.164 471 HH TYR 71 HH TYR 71 -7.635 -16.509 -6.432 472 H CYS 72 HN CYS 72 -1.909 -11.088 -4.983 473 HA CYS 72 HA CYS 72 -0.075 -9.161 -5.879 474 HB2 CYS 72 HB2 CYS 72 -0.767 -10.491 -3.349 475 HB3 CYS 72 HB1 CYS 72 0.906 -9.953 -3.446 476 H THR 73 HN THR 73 2.314 -9.296 -5.447 477 HA THR 73 HA THR 73 3.348 -11.971 -6.110 478 HB THR 73 HB THR 73 4.853 -11.077 -7.691 479 HG1 THR 73 HG1 THR 73 5.702 -9.242 -7.136 480 HG21 THR 73 HG21 THR 73 2.825 -9.153 -8.480 481 HG22 THR 73 HG22 THR 73 2.164 -10.741 -8.086 482 HG23 THR 73 HG23 THR 73 3.419 -10.587 -9.317 483 H GLY 74 HN GLY 74 3.250 -9.740 -3.756 484 HA2 GLY 74 HA2 GLY 74 4.547 -9.257 -1.931 485 HA3 GLY 74 HA1 GLY 74 5.299 -10.817 -2.224 486 H LYS 75 HN LYS 75 5.467 -8.320 -4.643 487 HA LYS 75 HA LYS 75 8.093 -7.452 -3.750 488 HB2 LYS 75 HB2 LYS 75 7.713 -8.780 -6.437 489 HB3 LYS 75 HB1 LYS 75 9.198 -8.045 -5.847 490 HG2 LYS 75 HG2 LYS 75 9.070 -9.722 -3.933 491 HG3 LYS 75 HG1 LYS 75 7.852 -10.551 -4.903 492 HD2 LYS 75 HD2 LYS 75 9.883 -10.101 -6.706 493 HD3 LYS 75 HD1 LYS 75 10.750 -10.459 -5.212 494 HE2 LYS 75 HE2 LYS 75 8.825 -12.173 -6.739 495 HE3 LYS 75 HE1 LYS 75 10.460 -12.552 -6.197 496 HZ1 LYS 75 HZ1 LYS 75 7.954 -12.527 -4.653 497 HZ2 LYS 75 HZ2 LYS 75 9.427 -12.278 -3.860 498 HZ3 LYS 75 HZ3 LYS 75 9.161 -13.712 -4.715 499 H SER 76 HN SER 76 5.300 -6.383 -4.474 500 HA SER 76 HA SER 76 6.173 -3.896 -5.476 501 HB2 SER 76 HB2 SER 76 6.096 -5.552 -7.540 502 HB3 SER 76 HB1 SER 76 4.372 -5.186 -7.480 503 HG SER 76 HG SER 76 4.832 -3.033 -7.784 504 H SER 77 HN SER 77 4.334 -2.408 -5.934 505 HA SER 77 HA SER 77 2.195 -2.921 -4.030 506 HB2 SER 77 HB2 SER 77 1.611 -0.484 -4.623 507 HB3 SER 77 HB1 SER 77 3.126 -0.766 -3.768 508 HG SER 77 HG SER 77 2.681 0.097 -6.363 509 H ASP 78 HN ASP 78 2.527 -3.918 -7.016 510 HA ASP 78 HA ASP 78 -0.197 -3.177 -7.856 511 HB2 ASP 78 HB2 ASP 78 2.312 -3.696 -9.386 512 HB3 ASP 78 HB1 ASP 78 0.776 -4.120 -10.135 513 H CYS 79 HN CYS 79 -1.615 -4.747 -8.524 514 HA CYS 79 HA CYS 79 -0.819 -7.534 -7.959 515 HB2 CYS 79 HB2 CYS 79 -2.791 -6.000 -6.706 516 HB3 CYS 79 HB1 CYS 79 -3.678 -7.057 -7.798 517 HA PRO 80 HA PRO 80 -1.927 -7.670 -12.381 518 HB2 PRO 80 HB2 PRO 80 -0.686 -10.022 -12.892 519 HB3 PRO 80 HB1 PRO 80 0.182 -8.485 -12.801 520 HG2 PRO 80 HG2 PRO 80 -0.106 -10.621 -10.721 521 HG3 PRO 80 HG1 PRO 80 1.342 -9.715 -11.200 522 HD2 PRO 80 HD2 PRO 80 -0.098 -9.090 -8.996 523 HD3 PRO 80 HD1 PRO 80 0.747 -7.863 -9.960 524 H TRP 81 HN TRP 81 -3.817 -8.394 -13.099 525 HA TRP 81 HA TRP 81 -5.126 -10.595 -11.723 526 HB2 TRP 81 HB2 TRP 81 -7.176 -9.860 -12.797 527 HB3 TRP 81 HB1 TRP 81 -6.389 -8.538 -11.950 528 HD1 TRP 81 HD1 TRP 81 -4.309 -8.295 -14.704 529 HE1 TRP 81 HE1 TRP 81 -5.260 -6.838 -16.594 530 HE3 TRP 81 HE3 TRP 81 -9.208 -8.376 -13.364 531 HZ2 TRP 81 HZ2 TRP 81 -7.783 -5.850 -17.399 532 HZ3 TRP 81 HZ3 TRP 81 -10.849 -7.155 -14.742 533 HH2 TRP 81 HH2 TRP 81 -10.144 -5.919 -16.728 534 H ASN 82 HN ASN 82 -3.468 -10.063 -14.586 535 HA ASN 82 HA ASN 82 -3.013 -11.357 -16.404 536 HB2 ASN 82 HB2 ASN 82 -4.248 -13.459 -14.620 537 HB3 ASN 82 HB1 ASN 82 -3.528 -13.823 -16.184 538 HD21 ASN 82 HD21 ASN 82 -2.974 -13.294 -12.888 539 HD22 ASN 82 HD22 ASN 82 -1.248 -13.353 -12.919 540 H HIS 83 HN HIS 83 -4.251 -10.497 -17.997 541 HA HIS 83 HA HIS 83 -6.545 -11.996 -18.842 542 HB2 HIS 83 HB2 HIS 83 -6.859 -9.276 -17.629 543 HB3 HIS 83 HB1 HIS 83 -7.923 -9.767 -18.945 544 HD1 HIS 83 HD1 HIS 83 -9.382 -11.952 -18.488 545 HD2 HIS 83 HD2 HIS 83 -7.511 -10.297 -15.169 546 HE1 HIS 83 HE1 HIS 83 -10.515 -12.977 -16.497 547 HE2 HIS 83 HE2 HIS 83 -9.313 -12.025 -14.499 Start of MODEL 20 1 H1 SER 1 HT1 SER 1 -10.383 21.535 15.252 2 H2 SER 1 HT2 SER 1 -9.091 21.872 16.330 3 H3 SER 1 HT3 SER 1 -9.747 20.288 16.242 4 HA SER 1 HA SER 1 -9.059 20.234 13.892 5 HB2 SER 1 HB2 SER 1 -8.078 22.902 14.762 6 HB3 SER 1 HB1 SER 1 -7.006 21.970 13.718 7 HG SER 1 HG SER 1 -8.471 23.311 12.546 8 HA PRO 2 HA PRO 2 -6.390 17.944 16.954 9 HB2 PRO 2 HB2 PRO 2 -6.785 15.981 14.744 10 HB3 PRO 2 HB1 PRO 2 -6.849 15.735 16.493 11 HG2 PRO 2 HG2 PRO 2 -9.087 15.829 15.057 12 HG3 PRO 2 HG1 PRO 2 -9.006 16.572 16.665 13 HD2 PRO 2 HD2 PRO 2 -8.959 17.862 13.975 14 HD3 PRO 2 HD1 PRO 2 -9.688 18.433 15.490 15 HA PRO 3 HA PRO 3 -2.589 18.654 14.793 16 HB2 PRO 3 HB2 PRO 3 -0.958 16.895 16.047 17 HB3 PRO 3 HB1 PRO 3 -1.536 18.377 16.818 18 HG2 PRO 3 HG2 PRO 3 -2.551 15.574 17.101 19 HG3 PRO 3 HG1 PRO 3 -2.280 16.798 18.356 20 HD2 PRO 3 HD2 PRO 3 -4.735 16.265 17.346 21 HD3 PRO 3 HD1 PRO 3 -4.263 17.882 17.904 22 H VAL 4 HN VAL 4 -1.934 18.034 12.855 23 HA VAL 4 HA VAL 4 -1.705 15.236 12.233 24 HB VAL 4 HB VAL 4 -3.936 16.205 11.492 25 HG11 VAL 4 HG11 VAL 4 -2.270 17.568 9.398 26 HG12 VAL 4 HG12 VAL 4 -3.032 18.386 10.758 27 HG13 VAL 4 HG13 VAL 4 -4.025 17.582 9.542 28 HG21 VAL 4 HG21 VAL 4 -2.805 14.159 10.584 29 HG22 VAL 4 HG22 VAL 4 -2.263 15.163 9.240 30 HG23 VAL 4 HG23 VAL 4 -3.986 14.927 9.527 31 H CYS 5 HN CYS 5 0.497 15.431 12.349 32 HA CYS 5 HA CYS 5 2.001 17.543 11.234 33 HB2 CYS 5 HB2 CYS 5 3.920 15.794 11.397 34 HB3 CYS 5 HB1 CYS 5 3.150 16.346 12.879 35 H GLY 6 HN GLY 6 1.599 17.971 9.148 36 HA2 GLY 6 HA2 GLY 6 2.466 17.675 6.928 37 HA3 GLY 6 HA1 GLY 6 2.436 15.936 7.192 38 H ASN 7 HN ASN 7 -0.285 17.648 8.349 39 HA ASN 7 HA ASN 7 -2.469 17.702 7.756 40 HB2 ASN 7 HB2 ASN 7 -1.091 17.971 5.113 41 HB3 ASN 7 HB1 ASN 7 -2.828 17.671 5.120 42 HD21 ASN 7 HD21 ASN 7 -4.049 19.124 6.689 43 HD22 ASN 7 HD22 ASN 7 -3.610 20.795 6.674 44 H LYS 8 HN LYS 8 -3.913 16.106 7.920 45 HA LYS 8 HA LYS 8 -3.379 13.442 7.805 46 HB2 LYS 8 HB2 LYS 8 -5.602 14.896 8.363 47 HB3 LYS 8 HB1 LYS 8 -6.092 14.138 6.854 48 HG2 LYS 8 HG2 LYS 8 -4.974 12.563 9.152 49 HG3 LYS 8 HG1 LYS 8 -6.693 12.930 8.996 50 HD2 LYS 8 HD2 LYS 8 -6.175 11.977 6.525 51 HD3 LYS 8 HD1 LYS 8 -5.003 11.056 7.469 52 HE2 LYS 8 HE2 LYS 8 -7.065 10.666 9.047 53 HE3 LYS 8 HE1 LYS 8 -7.982 11.036 7.588 54 HZ1 LYS 8 HZ1 LYS 8 -6.281 8.736 8.183 55 HZ2 LYS 8 HZ2 LYS 8 -6.307 9.287 6.584 56 HZ3 LYS 8 HZ3 LYS 8 -7.744 8.808 7.336 57 H ILE 9 HN ILE 9 -2.263 12.579 6.117 58 HA ILE 9 HA ILE 9 -2.424 13.277 3.466 59 HB ILE 9 HB ILE 9 -1.840 10.881 2.861 60 HG12 ILE 9 HG12 ILE 9 -0.910 9.667 4.956 61 HG13 ILE 9 HG11 ILE 9 -2.089 10.635 5.839 62 HG21 ILE 9 HG21 ILE 9 -0.184 12.605 3.093 63 HG22 ILE 9 HG22 ILE 9 0.427 11.119 3.822 64 HG23 ILE 9 HG23 ILE 9 -0.192 12.410 4.842 65 HD11 ILE 9 HD11 ILE 9 -3.693 9.212 5.302 66 HD12 ILE 9 HD12 ILE 9 -2.486 8.197 4.513 67 HD13 ILE 9 HD13 ILE 9 -3.351 9.422 3.585 68 H LEU 10 HN LEU 10 -3.891 13.298 1.991 69 HA LEU 10 HA LEU 10 -6.404 11.953 2.466 70 HB2 LEU 10 HB2 LEU 10 -7.158 13.315 0.489 71 HB3 LEU 10 HB1 LEU 10 -6.627 14.224 1.891 72 HG LEU 10 HG LEU 10 -5.913 14.949 -0.518 73 HD11 LEU 10 HD11 LEU 10 -4.952 16.387 0.876 74 HD12 LEU 10 HD12 LEU 10 -3.513 15.375 0.750 75 HD13 LEU 10 HD13 LEU 10 -4.642 15.140 2.084 76 HD21 LEU 10 HD21 LEU 10 -3.705 14.089 -1.155 77 HD22 LEU 10 HD22 LEU 10 -4.954 12.847 -1.226 78 HD23 LEU 10 HD23 LEU 10 -3.820 12.878 0.123 79 H GLU 11 HN GLU 11 -3.761 10.776 1.313 80 HA GLU 11 HA GLU 11 -4.814 8.621 -0.040 81 HB2 GLU 11 HB2 GLU 11 -4.358 9.064 -2.388 82 HB3 GLU 11 HB1 GLU 11 -5.510 10.238 -1.772 83 HG2 GLU 11 HG2 GLU 11 -4.205 11.794 -2.663 84 HG3 GLU 11 HG1 GLU 11 -3.075 11.454 -1.350 85 H GLN 12 HN GLN 12 -2.662 9.188 1.764 86 HA GLN 12 HA GLN 12 -0.394 8.274 0.129 87 HB2 GLN 12 HB2 GLN 12 -0.107 9.776 2.715 88 HB3 GLN 12 HB1 GLN 12 1.137 9.423 1.534 89 HG2 GLN 12 HG2 GLN 12 -1.181 11.310 1.179 90 HG3 GLN 12 HG1 GLN 12 0.505 11.753 1.447 91 HE21 GLN 12 HE21 GLN 12 0.444 12.962 -0.480 92 HE22 GLN 12 HE22 GLN 12 0.550 12.193 -2.024 93 H GLY 13 HN GLY 13 -0.477 8.401 3.652 94 HA2 GLY 13 HA2 GLY 13 -0.476 6.712 5.230 95 HA3 GLY 13 HA1 GLY 13 -1.017 5.602 3.977 96 H GLU 14 HN GLU 14 1.765 7.521 3.392 97 HA GLU 14 HA GLU 14 3.981 6.488 4.365 98 HB2 GLU 14 HB2 GLU 14 2.686 4.366 2.754 99 HB3 GLU 14 HB1 GLU 14 4.402 4.609 2.468 100 HG2 GLU 14 HG2 GLU 14 4.984 3.676 4.399 101 HG3 GLU 14 HG1 GLU 14 3.707 4.498 5.294 102 H ASP 15 HN ASP 15 2.215 7.353 1.569 103 HA ASP 15 HA ASP 15 4.199 7.700 -0.336 104 HB2 ASP 15 HB2 ASP 15 1.519 8.172 -0.210 105 HB3 ASP 15 HB1 ASP 15 2.149 9.814 -0.211 106 H CYS 16 HN CYS 16 2.843 10.243 1.777 107 HA CYS 16 HA CYS 16 5.188 11.288 2.746 108 HB2 CYS 16 HB2 CYS 16 6.164 11.921 0.784 109 HB3 CYS 16 HB1 CYS 16 4.626 12.087 -0.052 110 H ASP 17 HN ASP 17 4.791 12.899 4.150 111 HA ASP 17 HA ASP 17 3.724 14.514 5.336 112 HB2 ASP 17 HB2 ASP 17 3.013 15.092 2.718 113 HB3 ASP 17 HB1 ASP 17 1.464 14.998 3.552 114 H CYS 18 HN CYS 18 3.157 11.783 5.665 115 HA CYS 18 HA CYS 18 0.742 10.709 5.749 116 HB2 CYS 18 HB2 CYS 18 2.245 10.850 8.353 117 HB3 CYS 18 HB1 CYS 18 1.269 9.532 7.722 118 H GLY 19 HN GLY 19 1.618 13.509 7.707 119 HA2 GLY 19 HA2 GLY 19 0.237 15.028 8.786 120 HA3 GLY 19 HA1 GLY 19 -1.111 14.250 7.982 121 H SER 20 HN SER 20 -1.785 12.120 8.881 122 HA SER 20 HA SER 20 -2.542 12.405 11.502 123 HB2 SER 20 HB2 SER 20 -3.450 10.273 11.394 124 HB3 SER 20 HB1 SER 20 -3.408 10.783 9.709 125 HG SER 20 HG SER 20 -1.719 9.451 9.331 126 HA PRO 21 HA PRO 21 1.434 12.049 13.485 127 HB2 PRO 21 HB2 PRO 21 -0.453 12.028 15.799 128 HB3 PRO 21 HB1 PRO 21 1.025 12.970 15.562 129 HG2 PRO 21 HG2 PRO 21 -1.348 14.114 15.244 130 HG3 PRO 21 HG1 PRO 21 -0.017 14.487 14.131 131 HD2 PRO 21 HD2 PRO 21 -2.405 12.743 13.707 132 HD3 PRO 21 HD1 PRO 21 -1.572 13.800 12.554 133 H ALA 22 HN ALA 22 -1.316 9.937 13.826 134 HA ALA 22 HA ALA 22 -0.284 8.008 15.550 135 HB1 ALA 22 HB1 ALA 22 -2.586 8.266 14.120 136 HB2 ALA 22 HB2 ALA 22 -2.111 6.815 15.004 137 HB3 ALA 22 HB3 ALA 22 -1.795 6.936 13.273 138 H ASN 23 HN ASN 23 0.631 8.870 12.354 139 HA ASN 23 HA ASN 23 2.418 6.539 12.212 140 HB2 ASN 23 HB2 ASN 23 0.430 7.368 10.375 141 HB3 ASN 23 HB1 ASN 23 1.983 7.712 9.626 142 HD21 ASN 23 HD21 ASN 23 3.446 5.609 10.819 143 HD22 ASN 23 HD22 ASN 23 2.887 4.123 10.141 144 H CYS 24 HN CYS 24 2.697 9.434 13.239 145 HA CYS 24 HA CYS 24 4.552 10.690 11.456 146 HB2 CYS 24 HB2 CYS 24 3.084 11.539 13.627 147 HB3 CYS 24 HB1 CYS 24 4.716 11.496 14.274 148 H GLN 25 HN GLN 25 6.021 8.925 11.097 149 HA GLN 25 HA GLN 25 7.995 7.833 11.391 150 HB2 GLN 25 HB2 GLN 25 8.504 9.732 13.681 151 HB3 GLN 25 HB1 GLN 25 9.696 8.881 12.710 152 HG2 GLN 25 HG2 GLN 25 9.575 10.360 11.008 153 HG3 GLN 25 HG1 GLN 25 7.861 10.685 11.264 154 HE21 GLN 25 HE21 GLN 25 11.104 11.391 12.383 155 HE22 GLN 25 HE22 GLN 25 10.718 12.886 13.158 156 H ASP 26 HN ASP 26 6.578 6.058 12.139 157 HA ASP 26 HA ASP 26 7.506 5.087 14.698 158 HB2 ASP 26 HB2 ASP 26 4.677 5.917 14.227 159 HB3 ASP 26 HB1 ASP 26 4.973 4.476 15.195 160 H ARG 27 HN ARG 27 4.714 4.256 12.651 161 HA ARG 27 HA ARG 27 5.440 1.492 12.629 162 HB2 ARG 27 HB2 ARG 27 3.166 3.098 11.846 163 HB3 ARG 27 HB1 ARG 27 3.544 1.913 10.604 164 HG2 ARG 27 HG2 ARG 27 3.199 1.218 13.509 165 HG3 ARG 27 HG1 ARG 27 1.890 1.171 12.326 166 HD2 ARG 27 HD2 ARG 27 2.620 -1.017 12.306 167 HD3 ARG 27 HD1 ARG 27 3.534 -0.321 10.969 168 HE ARG 27 HE ARG 27 5.460 -0.688 12.145 169 HH11 ARG 27 HH11 ARG 27 2.753 -0.904 14.337 170 HH12 ARG 27 HH12 ARG 27 3.711 -1.467 15.664 171 HH21 ARG 27 HH21 ARG 27 6.723 -1.428 13.890 172 HH22 ARG 27 HH22 ARG 27 5.965 -1.764 15.411 173 H CYS 28 HN CYS 28 4.634 3.319 9.703 174 HA CYS 28 HA CYS 28 7.240 2.798 8.545 175 HB2 CYS 28 HB2 CYS 28 4.748 1.650 7.275 176 HB3 CYS 28 HB1 CYS 28 6.385 1.549 6.638 177 H CYS 29 HN CYS 29 5.405 5.101 9.198 178 HA CYS 29 HA CYS 29 5.374 6.318 6.509 179 HB2 CYS 29 HB2 CYS 29 3.106 5.674 7.671 180 HB3 CYS 29 HB1 CYS 29 3.404 7.127 8.614 181 H ASN 30 HN ASN 30 6.061 8.379 6.307 182 HA ASN 30 HA ASN 30 7.160 9.657 8.722 183 HB2 ASN 30 HB2 ASN 30 8.169 9.527 5.902 184 HB3 ASN 30 HB1 ASN 30 8.608 10.868 6.937 185 HD21 ASN 30 HD21 ASN 30 8.793 9.550 9.362 186 HD22 ASN 30 HD22 ASN 30 10.132 8.464 9.312 187 H ALA 31 HN ALA 31 5.533 10.911 9.306 188 HA ALA 31 HA ALA 31 4.118 12.584 7.422 189 HB1 ALA 31 HB1 ALA 31 3.691 13.406 10.124 190 HB2 ALA 31 HB2 ALA 31 3.645 11.647 10.055 191 HB3 ALA 31 HB3 ALA 31 2.569 12.597 9.035 192 H ALA 32 HN ALA 32 6.878 12.685 9.433 193 HA ALA 32 HA ALA 32 7.127 15.603 9.163 194 HB1 ALA 32 HB1 ALA 32 8.823 15.457 10.888 195 HB2 ALA 32 HB2 ALA 32 8.719 13.696 10.872 196 HB3 ALA 32 HB3 ALA 32 7.345 14.657 11.425 197 H THR 33 HN THR 33 8.003 12.839 7.563 198 HA THR 33 HA THR 33 10.457 14.092 6.547 199 HB THR 33 HB THR 33 10.413 11.235 6.134 200 HG1 THR 33 HG1 THR 33 10.762 10.850 8.473 201 HG21 THR 33 HG21 THR 33 12.571 11.293 6.925 202 HG22 THR 33 HG22 THR 33 12.254 12.676 7.973 203 HG23 THR 33 HG23 THR 33 12.370 12.900 6.227 204 H CYS 34 HN CYS 34 7.377 13.500 5.736 205 HA CYS 34 HA CYS 34 6.221 13.282 3.797 206 HB2 CYS 34 HB2 CYS 34 7.147 15.378 3.272 207 HB3 CYS 34 HB1 CYS 34 8.729 14.693 2.931 208 H LYS 35 HN LYS 35 7.205 10.826 4.430 209 HA LYS 35 HA LYS 35 7.175 9.512 1.954 210 HB2 LYS 35 HB2 LYS 35 9.647 10.598 2.354 211 HB3 LYS 35 HB1 LYS 35 9.858 8.976 2.998 212 HG2 LYS 35 HG2 LYS 35 10.315 8.412 0.889 213 HG3 LYS 35 HG1 LYS 35 8.567 8.468 0.658 214 HD2 LYS 35 HD2 LYS 35 8.817 10.104 -0.825 215 HD3 LYS 35 HD1 LYS 35 9.559 11.116 0.415 216 HE2 LYS 35 HE2 LYS 35 11.728 9.939 -0.083 217 HE3 LYS 35 HE1 LYS 35 10.925 9.213 -1.475 218 HZ1 LYS 35 HZ1 LYS 35 11.997 11.096 -2.303 219 HZ2 LYS 35 HZ2 LYS 35 11.537 12.065 -0.996 220 HZ3 LYS 35 HZ3 LYS 35 10.386 11.587 -2.139 221 H LEU 36 HN LEU 36 8.205 7.193 2.212 222 HA LEU 36 HA LEU 36 6.982 6.075 4.616 223 HB2 LEU 36 HB2 LEU 36 7.272 3.907 3.526 224 HB3 LEU 36 HB1 LEU 36 6.436 5.033 2.474 225 HG LEU 36 HG LEU 36 9.378 4.836 2.153 226 HD11 LEU 36 HD11 LEU 36 8.543 2.883 0.455 227 HD12 LEU 36 HD12 LEU 36 7.559 2.556 1.882 228 HD13 LEU 36 HD13 LEU 36 9.317 2.600 2.015 229 HD21 LEU 36 HD21 LEU 36 8.650 6.208 0.533 230 HD22 LEU 36 HD22 LEU 36 6.999 5.592 0.610 231 HD23 LEU 36 HD23 LEU 36 8.228 4.712 -0.300 232 H THR 37 HN THR 37 8.153 4.785 6.112 233 HA THR 37 HA THR 37 10.955 5.527 6.265 234 HB THR 37 HB THR 37 10.820 4.406 8.520 235 HG1 THR 37 HG1 THR 37 8.794 3.850 9.259 236 HG21 THR 37 HG21 THR 37 10.546 6.774 8.411 237 HG22 THR 37 HG22 THR 37 9.362 6.109 9.537 238 HG23 THR 37 HG23 THR 37 8.862 6.598 7.916 239 HA PRO 38 HA PRO 38 13.240 1.990 5.064 240 HB2 PRO 38 HB2 PRO 38 13.857 1.732 7.990 241 HB3 PRO 38 HB1 PRO 38 14.947 1.593 6.603 242 HG2 PRO 38 HG2 PRO 38 14.874 3.833 8.017 243 HG3 PRO 38 HG1 PRO 38 14.993 3.893 6.248 244 HD2 PRO 38 HD2 PRO 38 12.686 4.509 8.009 245 HD3 PRO 38 HD1 PRO 38 13.090 5.156 6.408 246 H GLY 39 HN GLY 39 12.991 -0.204 4.889 247 HA2 GLY 39 HA2 GLY 39 12.256 -2.348 5.494 248 HA3 GLY 39 HA1 GLY 39 11.411 -1.647 6.866 249 H SER 40 HN SER 40 10.372 0.394 4.735 250 HA SER 40 HA SER 40 7.973 -1.127 4.162 251 HB2 SER 40 HB2 SER 40 7.763 1.144 5.089 252 HB3 SER 40 HB1 SER 40 8.600 1.794 3.680 253 HG SER 40 HG SER 40 6.233 1.860 3.633 254 H GLN 41 HN GLN 41 7.976 -2.341 2.385 255 HA GLN 41 HA GLN 41 9.659 -1.808 0.144 256 HB2 GLN 41 HB2 GLN 41 7.294 -3.675 0.134 257 HB3 GLN 41 HB1 GLN 41 8.769 -3.785 -0.815 258 HG2 GLN 41 HG2 GLN 41 10.004 -4.149 1.344 259 HG3 GLN 41 HG1 GLN 41 8.430 -4.300 2.125 260 HE21 GLN 41 HE21 GLN 41 10.427 -5.629 -0.464 261 HE22 GLN 41 HE22 GLN 41 9.784 -7.231 -0.382 262 H CYS 42 HN CYS 42 6.335 -1.127 0.953 263 HA CYS 42 HA CYS 42 6.144 0.614 -1.365 264 HB2 CYS 42 HB2 CYS 42 5.274 -1.526 -2.191 265 HB3 CYS 42 HB1 CYS 42 4.130 -1.584 -0.855 266 H ASN 43 HN ASN 43 4.860 2.361 -1.040 267 HA ASN 43 HA ASN 43 4.085 2.936 1.643 268 HB2 ASN 43 HB2 ASN 43 3.183 5.064 0.607 269 HB3 ASN 43 HB1 ASN 43 4.895 4.761 0.328 270 HD21 ASN 43 HD21 ASN 43 5.539 5.140 -1.652 271 HD22 ASN 43 HD22 ASN 43 4.581 5.007 -3.084 272 H TYR 44 HN TYR 44 2.410 2.096 -1.320 273 HA TYR 44 HA TYR 44 0.217 0.924 -0.045 274 HB2 TYR 44 HB2 TYR 44 -1.551 2.515 -0.372 275 HB3 TYR 44 HB1 TYR 44 -0.273 3.326 0.528 276 HD1 TYR 44 HD1 TYR 44 -1.549 2.853 -2.942 277 HD2 TYR 44 HD2 TYR 44 0.547 5.366 -0.223 278 HE1 TYR 44 HE1 TYR 44 -1.485 4.620 -4.642 279 HE2 TYR 44 HE2 TYR 44 0.618 7.149 -1.909 280 HH TYR 44 HH TYR 44 0.514 7.285 -4.452 281 H GLY 45 HN GLY 45 -1.589 0.467 -1.641 282 HA2 GLY 45 HA2 GLY 45 -1.950 0.779 -4.182 283 HA3 GLY 45 HA1 GLY 45 -0.360 0.037 -4.277 284 H GLU 46 HN GLU 46 -1.833 -1.404 -5.652 285 HA GLU 46 HA GLU 46 -3.710 -3.129 -4.517 286 HB2 GLU 46 HB2 GLU 46 -1.897 -3.322 -6.896 287 HB3 GLU 46 HB1 GLU 46 -2.882 -4.699 -6.424 288 HG2 GLU 46 HG2 GLU 46 -4.808 -3.736 -7.088 289 HG3 GLU 46 HG1 GLU 46 -4.281 -2.115 -6.639 290 H CYS 47 HN CYS 47 -0.212 -3.527 -4.907 291 HA CYS 47 HA CYS 47 -0.311 -5.954 -3.252 292 HB2 CYS 47 HB2 CYS 47 1.568 -4.884 -5.304 293 HB3 CYS 47 HB1 CYS 47 2.231 -5.903 -4.035 294 H CYS 48 HN CYS 48 -0.649 -3.391 -1.979 295 HA CYS 48 HA CYS 48 1.797 -3.411 -0.351 296 HB2 CYS 48 HB2 CYS 48 0.363 -0.843 -0.945 297 HB3 CYS 48 HB1 CYS 48 1.995 -1.077 -0.329 298 H ASP 49 HN ASP 49 1.394 -3.816 1.671 299 HA ASP 49 HA ASP 49 -1.034 -2.768 2.930 300 HB2 ASP 49 HB2 ASP 49 -1.081 -5.317 2.194 301 HB3 ASP 49 HB1 ASP 49 -0.144 -5.524 3.670 302 H GLN 50 HN GLN 50 -0.532 -1.711 4.741 303 HA GLN 50 HA GLN 50 0.563 -1.020 6.616 304 HB2 GLN 50 HB2 GLN 50 0.695 -3.724 6.794 305 HB3 GLN 50 HB1 GLN 50 2.408 -3.328 6.747 306 HG2 GLN 50 HG2 GLN 50 2.168 -3.144 8.964 307 HG3 GLN 50 HG1 GLN 50 1.551 -1.540 8.571 308 HE21 GLN 50 HE21 GLN 50 0.705 -4.797 9.481 309 HE22 GLN 50 HE22 GLN 50 -0.906 -4.446 9.998 310 H CYS 51 HN CYS 51 3.063 -2.903 4.916 311 HA CYS 51 HA CYS 51 4.357 -0.778 3.689 312 HB2 CYS 51 HB2 CYS 51 6.441 -0.922 5.358 313 HB3 CYS 51 HB1 CYS 51 5.170 0.278 5.535 314 H ARG 52 HN ARG 52 3.704 -3.430 3.098 315 HA ARG 52 HA ARG 52 6.259 -4.359 2.147 316 HB2 ARG 52 HB2 ARG 52 4.678 -5.986 4.139 317 HB3 ARG 52 HB1 ARG 52 5.913 -6.676 3.093 318 HG2 ARG 52 HG2 ARG 52 7.412 -4.797 4.114 319 HG3 ARG 52 HG1 ARG 52 6.205 -4.818 5.402 320 HD2 ARG 52 HD2 ARG 52 8.030 -6.299 5.964 321 HD3 ARG 52 HD1 ARG 52 6.567 -7.237 5.667 322 HE ARG 52 HE ARG 52 8.259 -6.965 3.359 323 HH11 ARG 52 HH11 ARG 52 7.622 -8.833 6.237 324 HH12 ARG 52 HH12 ARG 52 8.376 -10.266 5.625 325 HH21 ARG 52 HH21 ARG 52 9.251 -8.849 2.552 326 HH22 ARG 52 HH22 ARG 52 9.301 -10.276 3.533 327 H PHE 53 HN PHE 53 6.075 -5.886 0.442 328 HA PHE 53 HA PHE 53 3.736 -5.621 -1.101 329 HB2 PHE 53 HB2 PHE 53 6.120 -7.446 -1.366 330 HB3 PHE 53 HB1 PHE 53 4.779 -7.483 -2.510 331 HD1 PHE 53 HD1 PHE 53 4.210 -4.512 -2.498 332 HD2 PHE 53 HD2 PHE 53 7.828 -6.718 -2.831 333 HE1 PHE 53 HE1 PHE 53 5.200 -2.668 -3.753 334 HE2 PHE 53 HE2 PHE 53 8.840 -4.862 -4.093 335 HZ PHE 53 HZ PHE 53 7.527 -2.829 -4.558 336 H LYS 54 HN LYS 54 2.008 -6.894 -1.441 337 HA LYS 54 HA LYS 54 1.218 -8.670 0.604 338 HB2 LYS 54 HB2 LYS 54 0.146 -7.943 -2.091 339 HB3 LYS 54 HB1 LYS 54 -0.517 -9.349 -1.269 340 HG2 LYS 54 HG2 LYS 54 -1.367 -8.074 0.486 341 HG3 LYS 54 HG1 LYS 54 -0.337 -6.693 0.103 342 HD2 LYS 54 HD2 LYS 54 -1.758 -5.909 -1.463 343 HD3 LYS 54 HD1 LYS 54 -2.164 -7.524 -2.048 344 HE2 LYS 54 HE2 LYS 54 -3.563 -7.830 -0.006 345 HE3 LYS 54 HE1 LYS 54 -3.255 -6.142 0.399 346 HZ1 LYS 54 HZ1 LYS 54 -4.346 -5.454 -1.602 347 HZ2 LYS 54 HZ2 LYS 54 -5.380 -6.501 -0.768 348 HZ3 LYS 54 HZ3 LYS 54 -4.530 -7.053 -2.123 349 H LYS 55 HN LYS 55 2.252 -10.535 0.979 350 HA LYS 55 HA LYS 55 3.925 -12.015 -0.476 351 HB2 LYS 55 HB2 LYS 55 3.227 -12.592 1.812 352 HB3 LYS 55 HB1 LYS 55 1.695 -13.192 1.193 353 HG2 LYS 55 HG2 LYS 55 2.770 -14.985 0.051 354 HG3 LYS 55 HG1 LYS 55 4.367 -14.313 0.388 355 HD2 LYS 55 HD2 LYS 55 3.398 -14.525 2.895 356 HD3 LYS 55 HD1 LYS 55 2.555 -15.868 2.121 357 HE2 LYS 55 HE2 LYS 55 4.802 -16.601 1.233 358 HE3 LYS 55 HE1 LYS 55 5.523 -15.406 2.309 359 HZ1 LYS 55 HZ1 LYS 55 5.245 -17.841 3.093 360 HZ2 LYS 55 HZ2 LYS 55 3.643 -17.390 3.395 361 HZ3 LYS 55 HZ3 LYS 55 4.909 -16.579 4.169 362 H ALA 56 HN ALA 56 3.959 -13.057 -2.355 363 HA ALA 56 HA ALA 56 2.099 -13.005 -4.292 364 HB1 ALA 56 HB1 ALA 56 4.237 -14.984 -3.695 365 HB2 ALA 56 HB2 ALA 56 4.077 -13.864 -5.049 366 HB3 ALA 56 HB3 ALA 56 3.095 -15.330 -4.995 367 H GLY 57 HN GLY 57 0.160 -13.828 -4.681 368 HA2 GLY 57 HA2 GLY 57 -1.262 -15.851 -4.680 369 HA3 GLY 57 HA1 GLY 57 -0.707 -16.134 -3.035 370 H THR 58 HN THR 58 -0.905 -12.992 -2.912 371 HA THR 58 HA THR 58 -3.483 -12.977 -1.655 372 HB THR 58 HB THR 58 -1.527 -10.738 -2.238 373 HG1 THR 58 HG1 THR 58 -2.013 -12.354 0.033 374 HG21 THR 58 HG21 THR 58 -4.182 -10.454 -1.531 375 HG22 THR 58 HG22 THR 58 -2.899 -9.250 -1.358 376 HG23 THR 58 HG23 THR 58 -3.301 -10.313 -0.008 377 H VAL 59 HN VAL 59 -5.260 -13.000 -2.908 378 HA VAL 59 HA VAL 59 -5.314 -12.065 -5.570 379 HB VAL 59 HB VAL 59 -6.884 -13.777 -4.791 380 HG11 VAL 59 HG11 VAL 59 -8.681 -11.871 -3.460 381 HG12 VAL 59 HG12 VAL 59 -7.206 -12.263 -2.577 382 HG13 VAL 59 HG13 VAL 59 -8.309 -13.549 -3.066 383 HG21 VAL 59 HG21 VAL 59 -8.764 -11.619 -5.486 384 HG22 VAL 59 HG22 VAL 59 -8.496 -13.184 -6.253 385 HG23 VAL 59 HG23 VAL 59 -7.403 -11.840 -6.585 386 H CYS 60 HN CYS 60 -5.293 -10.023 -6.239 387 HA CYS 60 HA CYS 60 -6.355 -7.944 -4.452 388 HB2 CYS 60 HB2 CYS 60 -4.651 -7.545 -6.906 389 HB3 CYS 60 HB1 CYS 60 -5.030 -6.355 -5.667 390 H ARG 61 HN ARG 61 -6.965 -9.555 -7.423 391 HA ARG 61 HA ARG 61 -9.362 -7.965 -7.823 392 HB2 ARG 61 HB2 ARG 61 -7.065 -7.337 -9.286 393 HB3 ARG 61 HB1 ARG 61 -8.038 -8.296 -10.391 394 HG2 ARG 61 HG2 ARG 61 -9.952 -6.760 -9.898 395 HG3 ARG 61 HG1 ARG 61 -8.817 -5.742 -9.008 396 HD2 ARG 61 HD2 ARG 61 -9.041 -6.243 -11.932 397 HD3 ARG 61 HD1 ARG 61 -8.716 -4.741 -11.067 398 HE ARG 61 HE ARG 61 -6.804 -6.568 -12.093 399 HH11 ARG 61 HH11 ARG 61 -7.386 -4.301 -9.509 400 HH12 ARG 61 HH12 ARG 61 -5.705 -4.080 -9.155 401 HH21 ARG 61 HH21 ARG 61 -4.596 -6.317 -11.602 402 HH22 ARG 61 HH22 ARG 61 -4.119 -5.218 -10.351 403 H ILE 62 HN ILE 62 -10.375 -8.829 -10.049 404 HA ILE 62 HA ILE 62 -9.970 -11.443 -10.881 405 HB ILE 62 HB ILE 62 -10.613 -12.135 -8.637 406 HG12 ILE 62 HG12 ILE 62 -12.503 -13.629 -9.240 407 HG13 ILE 62 HG11 ILE 62 -12.741 -12.692 -10.712 408 HG21 ILE 62 HG21 ILE 62 -12.510 -11.484 -7.525 409 HG22 ILE 62 HG22 ILE 62 -13.380 -11.106 -9.014 410 HG23 ILE 62 HG23 ILE 62 -12.130 -10.011 -8.420 411 HD11 ILE 62 HD11 ILE 62 -11.531 -14.683 -11.238 412 HD12 ILE 62 HD12 ILE 62 -10.337 -14.345 -9.985 413 HD13 ILE 62 HD13 ILE 62 -10.444 -13.305 -11.406 414 H ALA 63 HN ALA 63 -11.161 -11.815 -12.648 415 HA ALA 63 HA ALA 63 -12.693 -9.685 -13.692 416 HB1 ALA 63 HB1 ALA 63 -13.179 -11.981 -15.256 417 HB2 ALA 63 HB2 ALA 63 -11.507 -12.065 -14.697 418 HB3 ALA 63 HB3 ALA 63 -12.073 -10.648 -15.577 419 H ARG 64 HN ARG 64 -14.124 -12.857 -14.086 420 HA ARG 64 HA ARG 64 -16.301 -12.162 -12.274 421 HB2 ARG 64 HB2 ARG 64 -16.563 -11.556 -14.913 422 HB3 ARG 64 HB1 ARG 64 -17.223 -13.185 -14.880 423 HG2 ARG 64 HG2 ARG 64 -19.024 -11.665 -14.588 424 HG3 ARG 64 HG1 ARG 64 -18.736 -12.455 -13.036 425 HD2 ARG 64 HD2 ARG 64 -17.338 -10.465 -12.401 426 HD3 ARG 64 HD1 ARG 64 -17.917 -9.679 -13.869 427 HE ARG 64 HE ARG 64 -19.873 -9.238 -12.790 428 HH11 ARG 64 HH11 ARG 64 -18.284 -11.868 -11.137 429 HH12 ARG 64 HH12 ARG 64 -19.446 -11.930 -9.855 430 HH21 ARG 64 HH21 ARG 64 -21.403 -9.318 -11.104 431 HH22 ARG 64 HH22 ARG 64 -21.217 -10.483 -9.836 432 H GLY 65 HN GLY 65 -15.536 -13.930 -11.007 433 HA2 GLY 65 HA2 GLY 65 -16.614 -16.163 -10.625 434 HA3 GLY 65 HA1 GLY 65 -16.043 -16.564 -12.239 435 H ASP 66 HN ASP 66 -14.074 -17.395 -12.485 436 HA ASP 66 HA ASP 66 -11.842 -16.909 -10.911 437 HB2 ASP 66 HB2 ASP 66 -13.675 -18.918 -9.806 438 HB3 ASP 66 HB1 ASP 66 -12.018 -19.490 -9.979 439 H TRP 67 HN TRP 67 -10.841 -16.931 -12.865 440 HA TRP 67 HA TRP 67 -10.530 -19.563 -14.158 441 HB2 TRP 67 HB2 TRP 67 -9.770 -17.563 -15.998 442 HB3 TRP 67 HB1 TRP 67 -11.188 -18.602 -16.076 443 HD1 TRP 67 HD1 TRP 67 -10.262 -15.207 -14.371 444 HE1 TRP 67 HE1 TRP 67 -12.327 -13.706 -14.477 445 HE3 TRP 67 HE3 TRP 67 -13.496 -18.453 -16.621 446 HZ2 TRP 67 HZ2 TRP 67 -14.984 -13.859 -15.412 447 HZ3 TRP 67 HZ3 TRP 67 -15.790 -17.693 -17.096 448 HH2 TRP 67 HH2 TRP 67 -16.518 -15.439 -16.501 449 H ASN 68 HN ASN 68 -8.937 -16.430 -14.257 450 HA ASN 68 HA ASN 68 -6.327 -17.732 -13.936 451 HB2 ASN 68 HB2 ASN 68 -6.665 -14.855 -14.697 452 HB3 ASN 68 HB1 ASN 68 -5.379 -15.977 -15.134 453 HD21 ASN 68 HD21 ASN 68 -8.795 -15.249 -15.671 454 HD22 ASN 68 HD22 ASN 68 -8.862 -15.878 -17.278 455 H ASP 69 HN ASP 69 -8.448 -15.233 -12.721 456 HA ASP 69 HA ASP 69 -8.525 -14.079 -10.772 457 HB2 ASP 69 HB2 ASP 69 -6.735 -16.357 -9.959 458 HB3 ASP 69 HB1 ASP 69 -7.204 -15.089 -8.832 459 H ASP 70 HN ASP 70 -7.454 -12.460 -9.641 460 HA ASP 70 HA ASP 70 -4.874 -11.715 -10.792 461 HB2 ASP 70 HB2 ASP 70 -6.682 -10.052 -10.912 462 HB3 ASP 70 HB1 ASP 70 -6.849 -10.109 -9.166 463 H TYR 71 HN TYR 71 -3.054 -11.974 -9.650 464 HA TYR 71 HA TYR 71 -3.286 -12.028 -6.726 465 HB2 TYR 71 HB2 TYR 71 -2.115 -14.131 -8.502 466 HB3 TYR 71 HB1 TYR 71 -1.577 -13.944 -6.833 467 HD1 TYR 71 HD1 TYR 71 -3.406 -13.892 -5.051 468 HD2 TYR 71 HD2 TYR 71 -3.981 -15.430 -8.959 469 HE1 TYR 71 HE1 TYR 71 -5.320 -15.172 -4.234 470 HE2 TYR 71 HE2 TYR 71 -5.913 -16.722 -8.185 471 HH TYR 71 HH TYR 71 -7.602 -16.525 -6.223 472 H CYS 72 HN CYS 72 -1.572 -11.460 -5.546 473 HA CYS 72 HA CYS 72 0.299 -9.660 -6.735 474 HB2 CYS 72 HB2 CYS 72 -0.744 -9.559 -4.388 475 HB3 CYS 72 HB1 CYS 72 0.453 -10.769 -3.938 476 H THR 73 HN THR 73 2.672 -9.847 -6.327 477 HA THR 73 HA THR 73 3.565 -12.646 -6.548 478 HB THR 73 HB THR 73 5.071 -12.102 -8.257 479 HG1 THR 73 HG1 THR 73 6.001 -10.255 -7.451 480 HG21 THR 73 HG21 THR 73 3.776 -11.427 -9.994 481 HG22 THR 73 HG22 THR 73 3.055 -10.096 -9.088 482 HG23 THR 73 HG23 THR 73 2.514 -11.751 -8.805 483 H GLY 74 HN GLY 74 3.545 -10.220 -4.464 484 HA2 GLY 74 HA2 GLY 74 4.880 -9.516 -2.739 485 HA3 GLY 74 HA1 GLY 74 5.572 -11.128 -2.826 486 H LYS 75 HN LYS 75 5.839 -9.047 -5.585 487 HA LYS 75 HA LYS 75 8.572 -8.302 -4.826 488 HB2 LYS 75 HB2 LYS 75 7.855 -9.511 -7.500 489 HB3 LYS 75 HB1 LYS 75 9.452 -8.994 -6.979 490 HG2 LYS 75 HG2 LYS 75 9.850 -10.926 -5.952 491 HG3 LYS 75 HG1 LYS 75 8.275 -10.924 -5.159 492 HD2 LYS 75 HD2 LYS 75 7.867 -12.694 -6.485 493 HD3 LYS 75 HD1 LYS 75 7.562 -11.468 -7.716 494 HE2 LYS 75 HE2 LYS 75 10.354 -12.417 -7.304 495 HE3 LYS 75 HE1 LYS 75 9.222 -13.471 -8.151 496 HZ1 LYS 75 HZ1 LYS 75 10.270 -10.846 -8.952 497 HZ2 LYS 75 HZ2 LYS 75 8.744 -11.322 -9.505 498 HZ3 LYS 75 HZ3 LYS 75 10.104 -12.261 -9.866 499 H SER 76 HN SER 76 5.747 -7.062 -5.479 500 HA SER 76 HA SER 76 6.786 -4.613 -6.474 501 HB2 SER 76 HB2 SER 76 5.484 -6.481 -8.385 502 HB3 SER 76 HB1 SER 76 5.046 -4.777 -8.504 503 HG SER 76 HG SER 76 6.988 -4.318 -9.212 504 H SER 77 HN SER 77 5.036 -2.991 -6.849 505 HA SER 77 HA SER 77 2.996 -3.311 -4.802 506 HB2 SER 77 HB2 SER 77 2.582 -0.875 -5.242 507 HB3 SER 77 HB1 SER 77 4.237 -1.242 -4.757 508 HG SER 77 HG SER 77 3.274 -0.251 -7.132 509 H ASP 78 HN ASP 78 3.032 -4.400 -7.762 510 HA ASP 78 HA ASP 78 0.277 -3.540 -8.361 511 HB2 ASP 78 HB2 ASP 78 2.621 -4.048 -10.145 512 HB3 ASP 78 HB1 ASP 78 1.011 -4.425 -10.752 513 H CYS 79 HN CYS 79 -1.201 -5.096 -9.002 514 HA CYS 79 HA CYS 79 -0.408 -7.888 -8.459 515 HB2 CYS 79 HB2 CYS 79 -2.400 -6.277 -7.266 516 HB3 CYS 79 HB1 CYS 79 -3.242 -7.472 -8.244 517 HA PRO 80 HA PRO 80 -1.501 -8.122 -12.900 518 HB2 PRO 80 HB2 PRO 80 -0.818 -10.802 -13.058 519 HB3 PRO 80 HB1 PRO 80 0.295 -9.462 -13.348 520 HG2 PRO 80 HG2 PRO 80 -0.078 -11.121 -10.893 521 HG3 PRO 80 HG1 PRO 80 1.418 -10.492 -11.608 522 HD2 PRO 80 HD2 PRO 80 0.298 -9.353 -9.450 523 HD3 PRO 80 HD1 PRO 80 1.114 -8.383 -10.695 524 H TRP 81 HN TRP 81 -3.410 -8.847 -13.827 525 HA TRP 81 HA TRP 81 -5.064 -10.525 -12.096 526 HB2 TRP 81 HB2 TRP 81 -6.959 -9.426 -13.591 527 HB3 TRP 81 HB1 TRP 81 -6.379 -8.701 -12.108 528 HD1 TRP 81 HD1 TRP 81 -3.753 -7.222 -13.296 529 HE1 TRP 81 HE1 TRP 81 -4.106 -5.179 -14.814 530 HE3 TRP 81 HE3 TRP 81 -8.547 -8.131 -14.740 531 HZ2 TRP 81 HZ2 TRP 81 -6.171 -4.082 -16.400 532 HZ3 TRP 81 HZ3 TRP 81 -9.657 -6.532 -16.240 533 HH2 TRP 81 HH2 TRP 81 -8.492 -4.552 -17.050 534 H ASN 82 HN ASN 82 -3.230 -11.026 -14.560 535 HA ASN 82 HA ASN 82 -3.234 -12.280 -16.486 536 HB2 ASN 82 HB2 ASN 82 -4.809 -13.921 -14.505 537 HB3 ASN 82 HB1 ASN 82 -4.273 -14.557 -16.057 538 HD21 ASN 82 HD21 ASN 82 -3.316 -13.515 -12.899 539 HD22 ASN 82 HD22 ASN 82 -1.692 -14.100 -12.971 540 H HIS 83 HN HIS 83 -5.361 -10.301 -16.508 541 HA HIS 83 HA HIS 83 -7.259 -11.721 -18.258 542 HB2 HIS 83 HB2 HIS 83 -7.937 -9.391 -16.452 543 HB3 HIS 83 HB1 HIS 83 -9.050 -10.248 -17.514 544 HD1 HIS 83 HD1 HIS 83 -8.797 -9.974 -14.186 545 HD2 HIS 83 HD2 HIS 83 -8.382 -13.310 -16.625 546 HE1 HIS 83 HE1 HIS 83 -9.208 -11.952 -12.693 547 HE2 HIS 83 HE2 HIS 83 -8.800 -13.957 -14.158 Start of MODEL 21 1 H1 SER 1 HT1 SER 1 -8.758 13.312 19.080 2 H2 SER 1 HT2 SER 1 -9.164 12.553 17.595 3 H3 SER 1 HT3 SER 1 -9.431 14.235 17.802 4 HA SER 1 HA SER 1 -7.203 14.725 17.774 5 HB2 SER 1 HB2 SER 1 -6.296 13.099 19.227 6 HB3 SER 1 HB1 SER 1 -6.897 11.763 18.246 7 HG SER 1 HG SER 1 -5.182 11.891 17.032 8 HA PRO 2 HA PRO 2 -8.329 13.598 13.421 9 HB2 PRO 2 HB2 PRO 2 -8.211 16.136 12.468 10 HB3 PRO 2 HB1 PRO 2 -9.658 15.464 13.229 11 HG2 PRO 2 HG2 PRO 2 -7.553 17.240 14.402 12 HG3 PRO 2 HG1 PRO 2 -9.316 17.326 14.579 13 HD2 PRO 2 HD2 PRO 2 -7.713 16.256 16.480 14 HD3 PRO 2 HD1 PRO 2 -9.363 15.672 16.183 15 HA PRO 3 HA PRO 3 -4.263 13.274 11.739 16 HB2 PRO 3 HB2 PRO 3 -5.405 14.571 9.310 17 HB3 PRO 3 HB1 PRO 3 -4.441 13.099 9.463 18 HG2 PRO 3 HG2 PRO 3 -7.069 12.956 9.065 19 HG3 PRO 3 HG1 PRO 3 -6.251 11.823 10.158 20 HD2 PRO 3 HD2 PRO 3 -7.976 14.166 10.800 21 HD3 PRO 3 HD1 PRO 3 -7.782 12.631 11.671 22 H VAL 4 HN VAL 4 -2.530 14.488 11.949 23 HA VAL 4 HA VAL 4 -2.514 17.245 11.084 24 HB VAL 4 HB VAL 4 -3.342 17.615 13.277 25 HG11 VAL 4 HG11 VAL 4 -1.101 16.013 14.460 26 HG12 VAL 4 HG12 VAL 4 -2.637 15.272 14.012 27 HG13 VAL 4 HG13 VAL 4 -2.596 16.555 15.224 28 HG21 VAL 4 HG21 VAL 4 -1.851 19.199 13.876 29 HG22 VAL 4 HG22 VAL 4 -1.038 18.707 12.389 30 HG23 VAL 4 HG23 VAL 4 -0.508 18.057 13.941 31 H CYS 5 HN CYS 5 -0.982 16.514 9.667 32 HA CYS 5 HA CYS 5 1.671 16.918 10.267 33 HB2 CYS 5 HB2 CYS 5 0.971 14.440 11.285 34 HB3 CYS 5 HB1 CYS 5 1.627 14.034 9.705 35 H GLY 6 HN GLY 6 1.604 18.007 8.334 36 HA2 GLY 6 HA2 GLY 6 1.516 18.310 6.047 37 HA3 GLY 6 HA1 GLY 6 2.047 16.632 5.926 38 H ASN 7 HN ASN 7 -0.818 17.323 7.701 39 HA ASN 7 HA ASN 7 -3.001 16.799 7.439 40 HB2 ASN 7 HB2 ASN 7 -2.559 17.105 4.465 41 HB3 ASN 7 HB1 ASN 7 -4.072 17.277 5.349 42 HD21 ASN 7 HD21 ASN 7 -1.031 18.752 4.555 43 HD22 ASN 7 HD22 ASN 7 -1.425 20.340 5.108 44 H LYS 8 HN LYS 8 -3.983 14.860 7.557 45 HA LYS 8 HA LYS 8 -2.756 12.482 7.139 46 HB2 LYS 8 HB2 LYS 8 -4.706 11.967 8.153 47 HB3 LYS 8 HB1 LYS 8 -5.545 13.329 7.429 48 HG2 LYS 8 HG2 LYS 8 -6.619 11.276 6.796 49 HG3 LYS 8 HG1 LYS 8 -5.858 11.991 5.375 50 HD2 LYS 8 HD2 LYS 8 -5.209 9.795 5.159 51 HD3 LYS 8 HD1 LYS 8 -3.845 10.456 6.064 52 HE2 LYS 8 HE2 LYS 8 -6.219 9.126 7.356 53 HE3 LYS 8 HE1 LYS 8 -4.743 8.268 6.915 54 HZ1 LYS 8 HZ1 LYS 8 -3.678 10.215 8.306 55 HZ2 LYS 8 HZ2 LYS 8 -4.252 8.808 9.049 56 HZ3 LYS 8 HZ3 LYS 8 -5.197 10.210 9.051 57 H ILE 9 HN ILE 9 -1.871 11.604 5.301 58 HA ILE 9 HA ILE 9 -2.114 12.676 2.796 59 HB ILE 9 HB ILE 9 -1.408 10.484 1.838 60 HG12 ILE 9 HG12 ILE 9 -0.576 8.830 3.586 61 HG13 ILE 9 HG11 ILE 9 -1.660 9.638 4.718 62 HG21 ILE 9 HG21 ILE 9 0.100 11.674 4.142 63 HG22 ILE 9 HG22 ILE 9 0.216 12.107 2.436 64 HG23 ILE 9 HG23 ILE 9 0.798 10.538 2.991 65 HD11 ILE 9 HD11 ILE 9 -2.261 7.543 2.991 66 HD12 ILE 9 HD12 ILE 9 -3.037 8.959 2.286 67 HD13 ILE 9 HD13 ILE 9 -3.395 8.494 3.949 68 H LEU 10 HN LEU 10 -3.403 12.581 1.125 69 HA LEU 10 HA LEU 10 -5.936 11.148 1.460 70 HB2 LEU 10 HB2 LEU 10 -6.338 12.849 -0.638 71 HB3 LEU 10 HB1 LEU 10 -6.721 13.207 1.036 72 HG LEU 10 HG LEU 10 -4.426 14.230 1.243 73 HD11 LEU 10 HD11 LEU 10 -3.165 14.759 -0.679 74 HD12 LEU 10 HD12 LEU 10 -4.447 14.217 -1.762 75 HD13 LEU 10 HD13 LEU 10 -3.548 13.041 -0.802 76 HD21 LEU 10 HD21 LEU 10 -5.284 16.115 -0.565 77 HD22 LEU 10 HD22 LEU 10 -5.778 15.995 1.124 78 HD23 LEU 10 HD23 LEU 10 -6.768 15.262 -0.139 79 H GLU 11 HN GLU 11 -3.281 10.169 0.360 80 HA GLU 11 HA GLU 11 -4.078 8.261 -1.382 81 HB2 GLU 11 HB2 GLU 11 -3.233 9.274 -3.611 82 HB3 GLU 11 HB1 GLU 11 -4.857 9.671 -3.067 83 HG2 GLU 11 HG2 GLU 11 -4.321 11.841 -2.596 84 HG3 GLU 11 HG1 GLU 11 -2.622 11.472 -2.298 85 H GLN 12 HN GLN 12 -2.090 8.675 0.587 86 HA GLN 12 HA GLN 12 0.099 7.401 -0.645 87 HB2 GLN 12 HB2 GLN 12 1.788 9.255 -0.095 88 HB3 GLN 12 HB1 GLN 12 0.832 9.418 -1.559 89 HG2 GLN 12 HG2 GLN 12 -0.720 10.741 0.215 90 HG3 GLN 12 HG1 GLN 12 0.888 11.061 0.865 91 HE21 GLN 12 HE21 GLN 12 -0.387 13.197 0.063 92 HE22 GLN 12 HE22 GLN 12 0.190 13.775 -1.459 93 H GLY 13 HN GLY 13 -0.958 6.270 1.332 94 HA2 GLY 13 HA2 GLY 13 -0.543 7.036 3.963 95 HA3 GLY 13 HA1 GLY 13 -0.539 5.369 3.411 96 H GLU 14 HN GLU 14 1.741 5.897 1.632 97 HA GLU 14 HA GLU 14 3.937 6.350 3.525 98 HB2 GLU 14 HB2 GLU 14 3.209 3.820 2.246 99 HB3 GLU 14 HB1 GLU 14 4.872 4.284 1.948 100 HG2 GLU 14 HG2 GLU 14 5.233 4.510 4.364 101 HG3 GLU 14 HG1 GLU 14 3.569 4.003 4.644 102 H ASP 15 HN ASP 15 2.607 6.432 0.346 103 HA ASP 15 HA ASP 15 4.723 6.877 -1.323 104 HB2 ASP 15 HB2 ASP 15 1.916 7.431 -1.294 105 HB3 ASP 15 HB1 ASP 15 2.748 8.862 -1.897 106 H CYS 16 HN CYS 16 3.420 8.920 1.172 107 HA CYS 16 HA CYS 16 5.655 10.366 1.714 108 HB2 CYS 16 HB2 CYS 16 5.899 11.536 -0.226 109 HB3 CYS 16 HB1 CYS 16 4.188 11.445 -0.623 110 H ASP 17 HN ASP 17 5.299 11.165 3.640 111 HA ASP 17 HA ASP 17 4.331 12.270 5.378 112 HB2 ASP 17 HB2 ASP 17 2.847 13.253 3.221 113 HB3 ASP 17 HB1 ASP 17 1.650 12.708 4.389 114 H CYS 18 HN CYS 18 4.203 10.660 6.807 115 HA CYS 18 HA CYS 18 2.877 8.315 6.818 116 HB2 CYS 18 HB2 CYS 18 4.238 9.825 8.703 117 HB3 CYS 18 HB1 CYS 18 2.641 9.667 9.419 118 H GLY 19 HN GLY 19 1.536 11.469 7.679 119 HA2 GLY 19 HA2 GLY 19 -0.673 12.173 7.562 120 HA3 GLY 19 HA1 GLY 19 -1.132 10.549 7.056 121 H SER 20 HN SER 20 0.494 9.607 9.519 122 HA SER 20 HA SER 20 -1.738 9.869 11.353 123 HB2 SER 20 HB2 SER 20 0.510 8.069 12.025 124 HB3 SER 20 HB1 SER 20 -1.226 7.810 12.187 125 HG SER 20 HG SER 20 -1.245 6.889 10.299 126 HA PRO 21 HA PRO 21 0.914 12.926 13.297 127 HB2 PRO 21 HB2 PRO 21 -0.958 13.717 15.135 128 HB3 PRO 21 HB1 PRO 21 -0.880 14.329 13.480 129 HG2 PRO 21 HG2 PRO 21 -2.609 12.160 14.611 130 HG3 PRO 21 HG1 PRO 21 -3.054 13.480 13.514 131 HD2 PRO 21 HD2 PRO 21 -2.616 11.005 12.599 132 HD3 PRO 21 HD1 PRO 21 -2.108 12.430 11.666 133 H ALA 22 HN ALA 22 -0.959 10.400 14.881 134 HA ALA 22 HA ALA 22 0.002 10.511 17.460 135 HB1 ALA 22 HB1 ALA 22 -1.641 8.839 16.231 136 HB2 ALA 22 HB2 ALA 22 -0.835 8.405 17.738 137 HB3 ALA 22 HB3 ALA 22 -0.197 7.827 16.199 138 H ASN 23 HN ASN 23 1.649 9.585 14.557 139 HA ASN 23 HA ASN 23 4.069 9.002 16.130 140 HB2 ASN 23 HB2 ASN 23 2.974 7.646 13.679 141 HB3 ASN 23 HB1 ASN 23 4.698 7.604 14.031 142 HD21 ASN 23 HD21 ASN 23 4.871 7.264 16.656 143 HD22 ASN 23 HD22 ASN 23 4.105 5.799 17.156 144 H CYS 24 HN CYS 24 2.770 10.219 13.074 145 HA CYS 24 HA CYS 24 3.492 11.782 11.603 146 HB2 CYS 24 HB2 CYS 24 4.667 12.664 14.173 147 HB3 CYS 24 HB1 CYS 24 5.396 13.347 12.724 148 H GLN 25 HN GLN 25 6.540 11.448 13.383 149 HA GLN 25 HA GLN 25 7.896 10.780 10.898 150 HB2 GLN 25 HB2 GLN 25 8.728 12.453 12.689 151 HB3 GLN 25 HB1 GLN 25 9.216 11.024 13.589 152 HG2 GLN 25 HG2 GLN 25 10.086 11.108 10.783 153 HG3 GLN 25 HG1 GLN 25 10.791 12.330 11.840 154 HE21 GLN 25 HE21 GLN 25 12.224 10.250 10.596 155 HE22 GLN 25 HE22 GLN 25 12.859 9.223 11.832 156 H ASP 26 HN ASP 26 6.902 9.291 13.886 157 HA ASP 26 HA ASP 26 8.554 7.004 13.782 158 HB2 ASP 26 HB2 ASP 26 6.566 8.021 15.495 159 HB3 ASP 26 HB1 ASP 26 5.990 6.437 14.987 160 H ARG 27 HN ARG 27 6.684 4.875 13.986 161 HA ARG 27 HA ARG 27 5.678 3.298 12.690 162 HB2 ARG 27 HB2 ARG 27 4.164 5.513 12.374 163 HB3 ARG 27 HB1 ARG 27 4.663 5.255 10.708 164 HG2 ARG 27 HG2 ARG 27 2.832 3.956 10.640 165 HG3 ARG 27 HG1 ARG 27 3.903 2.755 11.364 166 HD2 ARG 27 HD2 ARG 27 2.493 4.632 13.183 167 HD3 ARG 27 HD1 ARG 27 1.539 3.365 12.412 168 HE ARG 27 HE ARG 27 3.375 3.045 14.554 169 HH11 ARG 27 HH11 ARG 27 2.161 1.456 11.694 170 HH12 ARG 27 HH12 ARG 27 2.495 -0.137 12.285 171 HH21 ARG 27 HH21 ARG 27 3.815 0.951 15.333 172 HH22 ARG 27 HH22 ARG 27 3.433 -0.424 14.352 173 H CYS 28 HN CYS 28 5.241 3.181 9.908 174 HA CYS 28 HA CYS 28 8.013 2.970 9.014 175 HB2 CYS 28 HB2 CYS 28 7.074 1.547 7.200 176 HB3 CYS 28 HB1 CYS 28 6.748 0.935 8.817 177 H CYS 29 HN CYS 29 5.825 5.338 8.900 178 HA CYS 29 HA CYS 29 6.687 6.168 6.215 179 HB2 CYS 29 HB2 CYS 29 4.485 7.564 6.268 180 HB3 CYS 29 HB1 CYS 29 4.437 5.870 5.803 181 H ASN 30 HN ASN 30 6.829 8.455 5.872 182 HA ASN 30 HA ASN 30 7.687 9.876 8.307 183 HB2 ASN 30 HB2 ASN 30 8.576 10.013 5.440 184 HB3 ASN 30 HB1 ASN 30 8.912 11.304 6.572 185 HD21 ASN 30 HD21 ASN 30 9.570 10.131 8.833 186 HD22 ASN 30 HD22 ASN 30 10.943 9.100 8.648 187 H ALA 31 HN ALA 31 6.067 11.044 8.995 188 HA ALA 31 HA ALA 31 4.307 12.471 7.191 189 HB1 ALA 31 HB1 ALA 31 4.436 12.709 10.194 190 HB2 ALA 31 HB2 ALA 31 3.488 11.482 9.355 191 HB3 ALA 31 HB3 ALA 31 3.113 13.186 9.137 192 H ALA 32 HN ALA 32 7.218 12.929 8.913 193 HA ALA 32 HA ALA 32 7.133 15.843 8.504 194 HB1 ALA 32 HB1 ALA 32 7.696 14.836 10.777 195 HB2 ALA 32 HB2 ALA 32 8.801 16.057 10.145 196 HB3 ALA 32 HB3 ALA 32 9.228 14.347 10.053 197 H THR 33 HN THR 33 8.093 13.140 6.896 198 HA THR 33 HA THR 33 10.298 14.573 5.598 199 HB THR 33 HB THR 33 10.565 11.700 5.378 200 HG1 THR 33 HG1 THR 33 10.617 12.823 7.985 201 HG21 THR 33 HG21 THR 33 12.441 13.368 6.929 202 HG22 THR 33 HG22 THR 33 12.276 13.683 5.201 203 HG23 THR 33 HG23 THR 33 12.760 12.083 5.766 204 H CYS 34 HN CYS 34 7.253 13.495 5.130 205 HA CYS 34 HA CYS 34 5.968 13.041 3.311 206 HB2 CYS 34 HB2 CYS 34 6.680 15.211 2.608 207 HB3 CYS 34 HB1 CYS 34 8.235 14.599 2.067 208 H LYS 35 HN LYS 35 7.336 10.763 4.000 209 HA LYS 35 HA LYS 35 7.264 9.315 1.578 210 HB2 LYS 35 HB2 LYS 35 9.857 10.437 2.310 211 HB3 LYS 35 HB1 LYS 35 9.889 8.699 2.042 212 HG2 LYS 35 HG2 LYS 35 8.414 10.157 -0.008 213 HG3 LYS 35 HG1 LYS 35 10.115 10.616 0.104 214 HD2 LYS 35 HD2 LYS 35 9.613 7.727 0.221 215 HD3 LYS 35 HD1 LYS 35 9.165 8.490 -1.306 216 HE2 LYS 35 HE2 LYS 35 11.302 8.859 -1.886 217 HE3 LYS 35 HE1 LYS 35 11.759 9.346 -0.254 218 HZ1 LYS 35 HZ1 LYS 35 12.584 7.097 -1.392 219 HZ2 LYS 35 HZ2 LYS 35 11.188 6.522 -0.630 220 HZ3 LYS 35 HZ3 LYS 35 12.401 7.270 0.281 221 H LEU 36 HN LEU 36 7.899 7.052 1.789 222 HA LEU 36 HA LEU 36 7.257 6.090 4.440 223 HB2 LEU 36 HB2 LEU 36 6.848 4.005 3.481 224 HB3 LEU 36 HB1 LEU 36 6.316 5.158 2.277 225 HG LEU 36 HG LEU 36 8.903 3.612 2.210 226 HD11 LEU 36 HD11 LEU 36 6.195 3.104 1.199 227 HD12 LEU 36 HD12 LEU 36 7.533 1.991 1.478 228 HD13 LEU 36 HD13 LEU 36 7.471 2.936 -0.009 229 HD21 LEU 36 HD21 LEU 36 7.716 5.657 0.345 230 HD22 LEU 36 HD22 LEU 36 8.997 4.539 -0.128 231 HD23 LEU 36 HD23 LEU 36 9.279 5.709 1.162 232 H THR 37 HN THR 37 8.739 5.784 5.902 233 HA THR 37 HA THR 37 11.453 6.019 5.594 234 HB THR 37 HB THR 37 11.595 4.799 7.811 235 HG1 THR 37 HG1 THR 37 9.936 3.591 8.212 236 HG21 THR 37 HG21 THR 37 11.397 7.161 7.854 237 HG22 THR 37 HG22 THR 37 10.279 6.501 9.048 238 HG23 THR 37 HG23 THR 37 9.672 7.079 7.495 239 HA PRO 38 HA PRO 38 13.478 2.496 3.955 240 HB2 PRO 38 HB2 PRO 38 14.821 2.383 6.631 241 HB3 PRO 38 HB1 PRO 38 15.535 2.290 5.015 242 HG2 PRO 38 HG2 PRO 38 15.683 4.541 6.392 243 HG3 PRO 38 HG1 PRO 38 15.322 4.584 4.655 244 HD2 PRO 38 HD2 PRO 38 13.503 4.997 6.980 245 HD3 PRO 38 HD1 PRO 38 13.474 5.751 5.374 246 H GLY 39 HN GLY 39 13.387 0.271 3.994 247 HA2 GLY 39 HA2 GLY 39 12.971 -1.851 4.931 248 HA3 GLY 39 HA1 GLY 39 12.306 -1.065 6.356 249 H SER 40 HN SER 40 10.508 0.679 4.998 250 HA SER 40 HA SER 40 8.359 -1.181 4.542 251 HB2 SER 40 HB2 SER 40 8.325 1.186 5.711 252 HB3 SER 40 HB1 SER 40 8.066 1.759 4.063 253 HG SER 40 HG SER 40 6.188 1.061 5.536 254 H GLN 41 HN GLN 41 7.391 -1.689 2.645 255 HA GLN 41 HA GLN 41 8.781 -0.863 0.216 256 HB2 GLN 41 HB2 GLN 41 6.799 -3.051 0.817 257 HB3 GLN 41 HB1 GLN 41 7.294 -2.657 -0.823 258 HG2 GLN 41 HG2 GLN 41 9.507 -3.069 1.049 259 HG3 GLN 41 HG1 GLN 41 8.500 -4.489 0.771 260 HE21 GLN 41 HE21 GLN 41 9.847 -1.834 -1.169 261 HE22 GLN 41 HE22 GLN 41 10.453 -2.840 -2.436 262 H CYS 42 HN CYS 42 5.465 -1.022 1.481 263 HA CYS 42 HA CYS 42 4.714 1.424 0.239 264 HB2 CYS 42 HB2 CYS 42 4.680 0.081 -1.778 265 HB3 CYS 42 HB1 CYS 42 3.697 -1.145 -0.988 266 H ASN 43 HN ASN 43 2.629 2.131 0.893 267 HA ASN 43 HA ASN 43 1.489 0.484 3.039 268 HB2 ASN 43 HB2 ASN 43 2.410 2.608 3.829 269 HB3 ASN 43 HB1 ASN 43 1.365 3.483 2.716 270 HD21 ASN 43 HD21 ASN 43 1.700 2.283 5.810 271 HD22 ASN 43 HD22 ASN 43 0.060 2.433 6.331 272 H TYR 44 HN TYR 44 0.770 2.258 0.127 273 HA TYR 44 HA TYR 44 -1.982 1.220 0.285 274 HB2 TYR 44 HB2 TYR 44 -2.961 3.223 -0.153 275 HB3 TYR 44 HB1 TYR 44 -1.502 3.843 0.609 276 HD1 TYR 44 HD1 TYR 44 -2.813 2.899 -2.767 277 HD2 TYR 44 HD2 TYR 44 -0.263 5.446 -0.500 278 HE1 TYR 44 HE1 TYR 44 -2.314 4.190 -4.792 279 HE2 TYR 44 HE2 TYR 44 0.245 6.747 -2.527 280 HH TYR 44 HH TYR 44 -1.509 6.736 -5.209 281 H GLY 45 HN GLY 45 -2.758 0.265 -1.495 282 HA2 GLY 45 HA2 GLY 45 -2.540 0.589 -4.083 283 HA3 GLY 45 HA1 GLY 45 -0.920 -0.007 -3.754 284 H GLU 46 HN GLU 46 -2.431 -1.397 -5.482 285 HA GLU 46 HA GLU 46 -4.127 -3.366 -4.520 286 HB2 GLU 46 HB2 GLU 46 -2.244 -3.247 -6.851 287 HB3 GLU 46 HB1 GLU 46 -3.127 -4.728 -6.503 288 HG2 GLU 46 HG2 GLU 46 -4.422 -3.601 -8.086 289 HG3 GLU 46 HG1 GLU 46 -5.230 -3.317 -6.544 290 H CYS 47 HN CYS 47 -0.670 -3.108 -4.272 291 HA CYS 47 HA CYS 47 -0.606 -5.729 -2.921 292 HB2 CYS 47 HB2 CYS 47 1.308 -4.473 -4.841 293 HB3 CYS 47 HB1 CYS 47 1.925 -5.564 -3.611 294 H CYS 48 HN CYS 48 -1.167 -3.248 -1.601 295 HA CYS 48 HA CYS 48 1.265 -3.042 0.047 296 HB2 CYS 48 HB2 CYS 48 -0.628 -0.751 -0.455 297 HB3 CYS 48 HB1 CYS 48 0.950 -0.695 0.324 298 H ASP 49 HN ASP 49 1.032 -3.246 2.179 299 HA ASP 49 HA ASP 49 -1.505 -2.810 3.486 300 HB2 ASP 49 HB2 ASP 49 -1.680 -5.079 4.405 301 HB3 ASP 49 HB1 ASP 49 -1.784 -5.099 2.647 302 H GLN 50 HN GLN 50 -0.916 -1.656 5.186 303 HA GLN 50 HA GLN 50 0.077 -1.030 7.129 304 HB2 GLN 50 HB2 GLN 50 0.579 -3.877 6.993 305 HB3 GLN 50 HB1 GLN 50 1.923 -3.045 7.764 306 HG2 GLN 50 HG2 GLN 50 0.668 -2.368 9.546 307 HG3 GLN 50 HG1 GLN 50 -0.838 -2.372 8.629 308 HE21 GLN 50 HE21 GLN 50 1.670 -4.613 9.759 309 HE22 GLN 50 HE22 GLN 50 0.583 -5.887 10.181 310 H CYS 51 HN CYS 51 2.820 -2.961 5.995 311 HA CYS 51 HA CYS 51 4.187 -0.594 5.014 312 HB2 CYS 51 HB2 CYS 51 5.452 -2.171 7.253 313 HB3 CYS 51 HB1 CYS 51 6.022 -0.669 6.540 314 H ARG 52 HN ARG 52 3.359 -3.480 4.223 315 HA ARG 52 HA ARG 52 5.868 -4.048 2.838 316 HB2 ARG 52 HB2 ARG 52 4.425 -5.946 4.666 317 HB3 ARG 52 HB1 ARG 52 5.398 -6.548 3.331 318 HG2 ARG 52 HG2 ARG 52 6.693 -4.565 5.085 319 HG3 ARG 52 HG1 ARG 52 6.351 -6.141 5.801 320 HD2 ARG 52 HD2 ARG 52 7.905 -7.183 4.553 321 HD3 ARG 52 HD1 ARG 52 7.523 -6.242 3.112 322 HE ARG 52 HE ARG 52 8.795 -4.454 4.688 323 HH11 ARG 52 HH11 ARG 52 9.602 -7.677 3.620 324 HH12 ARG 52 HH12 ARG 52 11.310 -7.392 3.645 325 HH21 ARG 52 HH21 ARG 52 11.040 -4.078 4.721 326 HH22 ARG 52 HH22 ARG 52 12.127 -5.349 4.270 327 H PHE 53 HN PHE 53 5.529 -5.821 1.156 328 HA PHE 53 HA PHE 53 3.247 -5.095 -0.421 329 HB2 PHE 53 HB2 PHE 53 5.545 -6.992 -0.861 330 HB3 PHE 53 HB1 PHE 53 4.204 -6.890 -1.997 331 HD1 PHE 53 HD2 PHE 53 3.725 -3.927 -1.830 332 HD2 PHE 53 HD1 PHE 53 7.305 -6.190 -2.189 333 HE1 PHE 53 HE2 PHE 53 4.794 -2.033 -2.948 334 HE2 PHE 53 HE1 PHE 53 8.392 -4.291 -3.313 335 HZ PHE 53 HZ PHE 53 7.137 -2.205 -3.696 336 H LYS 54 HN LYS 54 1.557 -6.409 -1.106 337 HA LYS 54 HA LYS 54 0.569 -8.238 0.819 338 HB2 LYS 54 HB2 LYS 54 -0.286 -7.409 -1.931 339 HB3 LYS 54 HB1 LYS 54 -1.050 -8.799 -1.173 340 HG2 LYS 54 HG2 LYS 54 -0.937 -6.031 0.007 341 HG3 LYS 54 HG1 LYS 54 -2.317 -6.723 -0.847 342 HD2 LYS 54 HD2 LYS 54 -2.055 -8.643 0.918 343 HD3 LYS 54 HD1 LYS 54 -1.211 -7.398 1.842 344 HE2 LYS 54 HE2 LYS 54 -3.208 -5.924 1.511 345 HE3 LYS 54 HE1 LYS 54 -4.040 -7.311 0.806 346 HZ1 LYS 54 HZ1 LYS 54 -3.308 -8.427 3.036 347 HZ2 LYS 54 HZ2 LYS 54 -4.697 -7.466 2.971 348 HZ3 LYS 54 HZ3 LYS 54 -3.258 -6.830 3.591 349 H LYS 55 HN LYS 55 2.129 -9.812 1.102 350 HA LYS 55 HA LYS 55 3.687 -11.315 -0.319 351 HB2 LYS 55 HB2 LYS 55 3.005 -11.864 1.996 352 HB3 LYS 55 HB1 LYS 55 1.546 -12.618 1.367 353 HG2 LYS 55 HG2 LYS 55 2.785 -14.486 1.506 354 HG3 LYS 55 HG1 LYS 55 3.399 -13.944 -0.057 355 HD2 LYS 55 HD2 LYS 55 4.740 -12.891 2.369 356 HD3 LYS 55 HD1 LYS 55 5.003 -14.591 1.975 357 HE2 LYS 55 HE2 LYS 55 6.017 -14.094 -0.054 358 HE3 LYS 55 HE1 LYS 55 5.301 -12.484 -0.129 359 HZ1 LYS 55 HZ1 LYS 55 6.889 -11.613 1.216 360 HZ2 LYS 55 HZ2 LYS 55 7.807 -12.859 0.535 361 HZ3 LYS 55 HZ3 LYS 55 7.135 -13.050 2.075 362 H ALA 56 HN ALA 56 3.769 -12.410 -2.170 363 HA ALA 56 HA ALA 56 1.900 -12.516 -4.094 364 HB1 ALA 56 HB1 ALA 56 3.887 -13.297 -4.877 365 HB2 ALA 56 HB2 ALA 56 3.039 -14.833 -4.692 366 HB3 ALA 56 HB3 ALA 56 4.181 -14.301 -3.456 367 H GLY 57 HN GLY 57 0.083 -13.576 -4.559 368 HA2 GLY 57 HA2 GLY 57 -1.255 -15.618 -4.467 369 HA3 GLY 57 HA1 GLY 57 -0.683 -15.838 -2.818 370 H THR 58 HN THR 58 -1.048 -12.711 -2.762 371 HA THR 58 HA THR 58 -3.644 -12.810 -1.521 372 HB THR 58 HB THR 58 -1.725 -10.522 -2.023 373 HG1 THR 58 HG1 THR 58 -1.132 -12.271 -0.529 374 HG21 THR 58 HG21 THR 58 -3.138 -9.071 -1.138 375 HG22 THR 58 HG22 THR 58 -3.530 -10.161 0.193 376 HG23 THR 58 HG23 THR 58 -4.399 -10.290 -1.337 377 H VAL 59 HN VAL 59 -5.436 -12.782 -2.759 378 HA VAL 59 HA VAL 59 -5.490 -11.750 -5.405 379 HB VAL 59 HB VAL 59 -6.991 -13.567 -4.766 380 HG11 VAL 59 HG11 VAL 59 -7.341 -12.271 -2.428 381 HG12 VAL 59 HG12 VAL 59 -8.411 -13.541 -3.020 382 HG13 VAL 59 HG13 VAL 59 -8.838 -11.846 -3.258 383 HG21 VAL 59 HG21 VAL 59 -7.600 -11.565 -6.417 384 HG22 VAL 59 HG22 VAL 59 -8.928 -11.389 -5.270 385 HG23 VAL 59 HG23 VAL 59 -8.691 -12.917 -6.117 386 H CYS 60 HN CYS 60 -5.309 -9.635 -5.770 387 HA CYS 60 HA CYS 60 -6.401 -7.725 -3.881 388 HB2 CYS 60 HB2 CYS 60 -5.232 -6.047 -5.107 389 HB3 CYS 60 HB1 CYS 60 -4.155 -7.434 -4.999 390 H ARG 61 HN ARG 61 -6.955 -8.862 -7.151 391 HA ARG 61 HA ARG 61 -9.684 -7.933 -7.051 392 HB2 ARG 61 HB2 ARG 61 -9.336 -6.892 -9.442 393 HB3 ARG 61 HB1 ARG 61 -9.064 -5.937 -7.995 394 HG2 ARG 61 HG2 ARG 61 -6.843 -5.789 -8.345 395 HG3 ARG 61 HG1 ARG 61 -6.734 -7.393 -9.073 396 HD2 ARG 61 HD2 ARG 61 -8.049 -6.321 -11.028 397 HD3 ARG 61 HD1 ARG 61 -7.526 -4.792 -10.327 398 HE ARG 61 HE ARG 61 -5.841 -6.801 -11.601 399 HH11 ARG 61 HH11 ARG 61 -6.031 -3.792 -9.835 400 HH12 ARG 61 HH12 ARG 61 -4.442 -3.286 -10.297 401 HH21 ARG 61 HH21 ARG 61 -3.766 -6.141 -12.199 402 HH22 ARG 61 HH22 ARG 61 -3.154 -4.619 -11.640 403 H ILE 62 HN ILE 62 -10.596 -8.335 -9.483 404 HA ILE 62 HA ILE 62 -9.515 -10.664 -10.754 405 HB ILE 62 HB ILE 62 -10.585 -11.890 -9.038 406 HG12 ILE 62 HG12 ILE 62 -12.354 -13.104 -10.196 407 HG13 ILE 62 HG11 ILE 62 -12.582 -11.761 -11.312 408 HG21 ILE 62 HG21 ILE 62 -11.966 -10.603 -7.825 409 HG22 ILE 62 HG22 ILE 62 -13.203 -11.339 -8.847 410 HG23 ILE 62 HG23 ILE 62 -12.570 -9.740 -9.240 411 HD11 ILE 62 HD11 ILE 62 -9.906 -12.381 -11.571 412 HD12 ILE 62 HD12 ILE 62 -11.205 -12.840 -12.672 413 HD13 ILE 62 HD13 ILE 62 -10.694 -13.949 -11.399 414 H ALA 63 HN ALA 63 -10.053 -10.604 -12.819 415 HA ALA 63 HA ALA 63 -11.151 -8.479 -14.068 416 HB1 ALA 63 HB1 ALA 63 -10.309 -11.048 -14.864 417 HB2 ALA 63 HB2 ALA 63 -10.491 -9.597 -15.847 418 HB3 ALA 63 HB3 ALA 63 -11.840 -10.714 -15.673 419 H ARG 64 HN ARG 64 -13.115 -11.336 -14.624 420 HA ARG 64 HA ARG 64 -15.421 -10.042 -13.385 421 HB2 ARG 64 HB2 ARG 64 -15.042 -9.624 -16.011 422 HB3 ARG 64 HB1 ARG 64 -15.900 -11.157 -16.092 423 HG2 ARG 64 HG2 ARG 64 -17.573 -9.549 -16.259 424 HG3 ARG 64 HG1 ARG 64 -17.635 -10.061 -14.571 425 HD2 ARG 64 HD2 ARG 64 -15.875 -8.035 -14.381 426 HD3 ARG 64 HD1 ARG 64 -16.838 -7.472 -15.746 427 HE ARG 64 HE ARG 64 -17.646 -7.609 -13.001 428 HH11 ARG 64 HH11 ARG 64 -18.786 -7.674 -16.299 429 HH12 ARG 64 HH12 ARG 64 -20.375 -7.118 -15.892 430 HH21 ARG 64 HH21 ARG 64 -19.736 -6.878 -12.465 431 HH22 ARG 64 HH22 ARG 64 -20.914 -6.666 -13.716 432 H GLY 65 HN GLY 65 -15.324 -11.769 -11.863 433 HA2 GLY 65 HA2 GLY 65 -16.859 -13.694 -11.520 434 HA3 GLY 65 HA1 GLY 65 -16.174 -14.358 -12.997 435 H ASP 66 HN ASP 66 -14.410 -15.573 -12.897 436 HA ASP 66 HA ASP 66 -12.373 -15.441 -11.029 437 HB2 ASP 66 HB2 ASP 66 -12.891 -17.510 -9.675 438 HB3 ASP 66 HB1 ASP 66 -13.890 -16.108 -9.304 439 H TRP 67 HN TRP 67 -11.136 -15.835 -12.779 440 HA TRP 67 HA TRP 67 -11.248 -18.557 -13.906 441 HB2 TRP 67 HB2 TRP 67 -9.810 -16.956 -15.699 442 HB3 TRP 67 HB1 TRP 67 -11.438 -17.582 -15.919 443 HD1 TRP 67 HD1 TRP 67 -9.916 -14.437 -14.120 444 HE1 TRP 67 HE1 TRP 67 -11.434 -12.454 -14.645 445 HE3 TRP 67 HE3 TRP 67 -13.411 -16.844 -16.963 446 HZ2 TRP 67 HZ2 TRP 67 -13.808 -11.957 -16.112 447 HZ3 TRP 67 HZ3 TRP 67 -15.275 -15.537 -17.901 448 HH2 TRP 67 HH2 TRP 67 -15.468 -13.141 -17.479 449 H ASN 68 HN ASN 68 -8.990 -15.867 -13.887 450 HA ASN 68 HA ASN 68 -6.826 -17.667 -13.066 451 HB2 ASN 68 HB2 ASN 68 -6.345 -14.907 -14.127 452 HB3 ASN 68 HB1 ASN 68 -5.344 -16.349 -14.275 453 HD21 ASN 68 HD21 ASN 68 -8.402 -14.927 -15.344 454 HD22 ASN 68 HD22 ASN 68 -8.422 -15.695 -16.891 455 H ASP 69 HN ASP 69 -8.668 -14.852 -12.262 456 HA ASP 69 HA ASP 69 -8.798 -13.556 -10.411 457 HB2 ASP 69 HB2 ASP 69 -7.436 -16.003 -9.400 458 HB3 ASP 69 HB1 ASP 69 -7.459 -14.582 -8.362 459 H ASP 70 HN ASP 70 -7.793 -11.750 -9.772 460 HA ASP 70 HA ASP 70 -5.097 -11.323 -10.692 461 HB2 ASP 70 HB2 ASP 70 -6.669 -9.335 -9.090 462 HB3 ASP 70 HB1 ASP 70 -5.490 -9.038 -10.354 463 H TYR 71 HN TYR 71 -3.349 -11.714 -9.518 464 HA TYR 71 HA TYR 71 -3.604 -11.599 -6.586 465 HB2 TYR 71 HB2 TYR 71 -2.339 -13.665 -8.339 466 HB3 TYR 71 HB1 TYR 71 -1.778 -13.434 -6.684 467 HD1 TYR 71 HD1 TYR 71 -3.434 -13.640 -4.824 468 HD2 TYR 71 HD2 TYR 71 -4.290 -14.872 -8.788 469 HE1 TYR 71 HE1 TYR 71 -5.273 -15.018 -3.975 470 HE2 TYR 71 HE2 TYR 71 -6.143 -16.250 -7.971 471 HH TYR 71 HH TYR 71 -7.595 -15.938 -5.194 472 H CYS 72 HN CYS 72 -1.726 -11.230 -5.382 473 HA CYS 72 HA CYS 72 0.030 -9.274 -6.577 474 HB2 CYS 72 HB2 CYS 72 -0.986 -9.108 -4.252 475 HB3 CYS 72 HB1 CYS 72 0.143 -10.370 -3.769 476 H THR 73 HN THR 73 2.411 -9.423 -6.212 477 HA THR 73 HA THR 73 3.321 -12.212 -6.480 478 HB THR 73 HB THR 73 4.930 -11.545 -8.077 479 HG1 THR 73 HG1 THR 73 4.322 -8.903 -7.270 480 HG21 THR 73 HG21 THR 73 3.013 -9.633 -9.129 481 HG22 THR 73 HG22 THR 73 2.271 -11.144 -8.601 482 HG23 THR 73 HG23 THR 73 3.571 -11.169 -9.794 483 H GLY 74 HN GLY 74 3.586 -9.348 -4.667 484 HA2 GLY 74 HA2 GLY 74 4.753 -8.984 -2.708 485 HA3 GLY 74 HA1 GLY 74 5.507 -10.557 -2.910 486 H LYS 75 HN LYS 75 5.676 -8.342 -5.549 487 HA LYS 75 HA LYS 75 8.453 -7.690 -4.817 488 HB2 LYS 75 HB2 LYS 75 7.456 -8.243 -7.613 489 HB3 LYS 75 HB1 LYS 75 9.118 -7.939 -7.124 490 HG2 LYS 75 HG2 LYS 75 8.284 -10.101 -5.571 491 HG3 LYS 75 HG1 LYS 75 7.646 -10.410 -7.187 492 HD2 LYS 75 HD2 LYS 75 10.486 -9.535 -6.829 493 HD3 LYS 75 HD1 LYS 75 10.039 -11.223 -6.572 494 HE2 LYS 75 HE2 LYS 75 10.842 -10.641 -8.891 495 HE3 LYS 75 HE1 LYS 75 9.282 -11.459 -8.801 496 HZ1 LYS 75 HZ1 LYS 75 9.603 -8.518 -9.048 497 HZ2 LYS 75 HZ2 LYS 75 8.161 -9.397 -9.148 498 HZ3 LYS 75 HZ3 LYS 75 9.332 -9.555 -10.357 499 H SER 76 HN SER 76 5.434 -6.427 -5.451 500 HA SER 76 HA SER 76 6.449 -3.762 -5.582 501 HB2 SER 76 HB2 SER 76 5.435 -5.069 -8.068 502 HB3 SER 76 HB1 SER 76 5.066 -3.366 -7.798 503 HG SER 76 HG SER 76 7.049 -3.759 -8.961 504 H SER 77 HN SER 77 4.524 -2.198 -6.105 505 HA SER 77 HA SER 77 2.394 -2.938 -4.280 506 HB2 SER 77 HB2 SER 77 1.676 -0.493 -4.826 507 HB3 SER 77 HB1 SER 77 3.125 -0.761 -3.857 508 HG SER 77 HG SER 77 2.895 0.053 -6.536 509 H ASP 78 HN ASP 78 2.801 -3.773 -7.297 510 HA ASP 78 HA ASP 78 0.008 -3.243 -8.078 511 HB2 ASP 78 HB2 ASP 78 2.505 -3.465 -9.744 512 HB3 ASP 78 HB1 ASP 78 0.912 -3.724 -10.448 513 H CYS 79 HN CYS 79 -1.276 -4.949 -8.237 514 HA CYS 79 HA CYS 79 -0.057 -7.626 -8.295 515 HB2 CYS 79 HB2 CYS 79 -1.313 -7.923 -6.456 516 HB3 CYS 79 HB1 CYS 79 -2.206 -6.438 -6.737 517 HA PRO 80 HA PRO 80 -1.708 -7.671 -12.496 518 HB2 PRO 80 HB2 PRO 80 -0.947 -10.246 -13.039 519 HB3 PRO 80 HB1 PRO 80 0.132 -8.852 -13.163 520 HG2 PRO 80 HG2 PRO 80 -0.159 -10.831 -10.936 521 HG3 PRO 80 HG1 PRO 80 1.319 -10.152 -11.644 522 HD2 PRO 80 HD2 PRO 80 0.335 -9.244 -9.320 523 HD3 PRO 80 HD1 PRO 80 1.103 -8.152 -10.490 524 H TRP 81 HN TRP 81 -3.187 -9.114 -13.741 525 HA TRP 81 HA TRP 81 -5.324 -10.017 -12.012 526 HB2 TRP 81 HB2 TRP 81 -5.742 -10.449 -14.862 527 HB3 TRP 81 HB1 TRP 81 -6.747 -9.594 -13.696 528 HD1 TRP 81 HD1 TRP 81 -3.692 -8.960 -16.000 529 HE1 TRP 81 HE1 TRP 81 -3.651 -6.443 -16.554 530 HE3 TRP 81 HE3 TRP 81 -7.508 -7.447 -13.018 531 HZ2 TRP 81 HZ2 TRP 81 -5.078 -4.122 -15.810 532 HZ3 TRP 81 HZ3 TRP 81 -8.135 -5.058 -12.985 533 HH2 TRP 81 HH2 TRP 81 -6.936 -3.428 -14.357 534 H ASN 82 HN ASN 82 -2.845 -11.316 -13.928 535 HA ASN 82 HA ASN 82 -2.012 -13.463 -14.001 536 HB2 ASN 82 HB2 ASN 82 -3.836 -13.735 -11.954 537 HB3 ASN 82 HB1 ASN 82 -4.429 -14.890 -13.142 538 HD21 ASN 82 HD21 ASN 82 -1.842 -15.496 -14.242 539 HD22 ASN 82 HD22 ASN 82 -1.002 -16.439 -13.064 540 H HIS 83 HN HIS 83 -3.559 -12.003 -15.973 541 HA HIS 83 HA HIS 83 -4.899 -14.154 -17.448 542 HB2 HIS 83 HB2 HIS 83 -4.883 -11.180 -18.015 543 HB3 HIS 83 HB1 HIS 83 -5.894 -12.395 -18.797 544 HD1 HIS 83 HD1 HIS 83 -7.018 -9.924 -17.208 545 HD2 HIS 83 HD2 HIS 83 -6.598 -13.774 -15.712 546 HE1 HIS 83 HE1 HIS 83 -8.615 -10.077 -15.274 547 HE2 HIS 83 HE2 HIS 83 -8.440 -12.455 -14.469 Start of MODEL 22 1 H1 SER 1 HT1 SER 1 -4.932 18.814 19.796 2 H2 SER 1 HT2 SER 1 -3.959 17.898 20.873 3 H3 SER 1 HT3 SER 1 -5.668 17.876 21.026 4 HA SER 1 HA SER 1 -5.015 15.885 20.028 5 HB2 SER 1 HB2 SER 1 -6.045 16.369 17.655 6 HB3 SER 1 HB1 SER 1 -7.039 16.557 19.100 7 HG SER 1 HG SER 1 -5.650 18.638 17.757 8 HA PRO 2 HA PRO 2 -1.314 15.642 17.646 9 HB2 PRO 2 HB2 PRO 2 -1.817 13.549 16.002 10 HB3 PRO 2 HB1 PRO 2 -1.527 13.354 17.731 11 HG2 PRO 2 HG2 PRO 2 -4.121 13.416 16.236 12 HG3 PRO 2 HG1 PRO 2 -3.607 12.330 17.541 13 HD2 PRO 2 HD2 PRO 2 -5.226 14.458 17.968 14 HD3 PRO 2 HD1 PRO 2 -4.067 13.881 19.182 15 HA PRO 3 HA PRO 3 -2.335 17.873 13.877 16 HB2 PRO 3 HB2 PRO 3 0.030 19.004 13.480 17 HB3 PRO 3 HB1 PRO 3 -0.967 19.469 14.864 18 HG2 PRO 3 HG2 PRO 3 1.442 17.715 14.767 19 HG3 PRO 3 HG1 PRO 3 0.940 18.865 16.017 20 HD2 PRO 3 HD2 PRO 3 0.550 16.085 16.070 21 HD3 PRO 3 HD1 PRO 3 -0.247 17.273 17.119 22 H VAL 4 HN VAL 4 -2.577 17.319 12.049 23 HA VAL 4 HA VAL 4 -1.412 15.147 10.807 24 HB VAL 4 HB VAL 4 -2.590 16.034 8.840 25 HG11 VAL 4 HG11 VAL 4 -4.583 16.306 10.977 26 HG12 VAL 4 HG12 VAL 4 -3.626 14.825 10.974 27 HG13 VAL 4 HG13 VAL 4 -4.584 15.259 9.559 28 HG21 VAL 4 HG21 VAL 4 -2.628 18.435 10.475 29 HG22 VAL 4 HG22 VAL 4 -4.184 18.042 9.745 30 HG23 VAL 4 HG23 VAL 4 -2.761 18.259 8.727 31 H CYS 5 HN CYS 5 0.789 15.313 10.654 32 HA CYS 5 HA CYS 5 2.137 17.642 9.739 33 HB2 CYS 5 HB2 CYS 5 3.383 14.970 9.280 34 HB3 CYS 5 HB1 CYS 5 4.102 16.443 9.908 35 H GLY 6 HN GLY 6 1.349 18.405 7.841 36 HA2 GLY 6 HA2 GLY 6 1.563 18.573 5.509 37 HA3 GLY 6 HA1 GLY 6 1.996 16.871 5.448 38 H ASN 7 HN ASN 7 -0.778 17.685 7.319 39 HA ASN 7 HA ASN 7 -3.006 17.284 7.061 40 HB2 ASN 7 HB2 ASN 7 -2.166 18.180 4.354 41 HB3 ASN 7 HB1 ASN 7 -3.721 17.357 4.465 42 HD21 ASN 7 HD21 ASN 7 -5.357 18.678 4.688 43 HD22 ASN 7 HD22 ASN 7 -5.345 20.202 5.503 44 H LYS 8 HN LYS 8 -4.135 15.409 7.122 45 HA LYS 8 HA LYS 8 -3.087 12.932 6.700 46 HB2 LYS 8 HB2 LYS 8 -5.479 13.772 7.561 47 HB3 LYS 8 HB1 LYS 8 -5.952 13.232 5.956 48 HG2 LYS 8 HG2 LYS 8 -4.395 11.473 7.820 49 HG3 LYS 8 HG1 LYS 8 -6.156 11.568 7.871 50 HD2 LYS 8 HD2 LYS 8 -5.070 11.184 5.181 51 HD3 LYS 8 HD1 LYS 8 -4.700 9.865 6.292 52 HE2 LYS 8 HE2 LYS 8 -7.260 10.123 6.889 53 HE3 LYS 8 HE1 LYS 8 -7.328 10.817 5.270 54 HZ1 LYS 8 HZ1 LYS 8 -7.765 8.458 5.201 55 HZ2 LYS 8 HZ2 LYS 8 -6.298 8.121 5.972 56 HZ3 LYS 8 HZ3 LYS 8 -6.302 8.786 4.417 57 H ILE 9 HN ILE 9 -1.899 12.557 4.870 58 HA ILE 9 HA ILE 9 -2.305 13.467 2.351 59 HB ILE 9 HB ILE 9 -1.228 11.494 1.374 60 HG12 ILE 9 HG12 ILE 9 -0.326 9.723 2.868 61 HG13 ILE 9 HG11 ILE 9 -1.345 10.343 4.171 62 HG21 ILE 9 HG21 ILE 9 0.122 13.257 2.240 63 HG22 ILE 9 HG22 ILE 9 0.896 11.713 2.592 64 HG23 ILE 9 HG23 ILE 9 0.042 12.581 3.868 65 HD11 ILE 9 HD11 ILE 9 -2.024 8.335 2.502 66 HD12 ILE 9 HD12 ILE 9 -2.754 9.708 1.676 67 HD13 ILE 9 HD13 ILE 9 -3.184 9.353 3.350 68 H LEU 10 HN LEU 10 -3.455 13.045 0.574 69 HA LEU 10 HA LEU 10 -5.783 11.312 0.966 70 HB2 LEU 10 HB2 LEU 10 -6.813 12.737 -0.849 71 HB3 LEU 10 HB1 LEU 10 -6.524 13.527 0.690 72 HG LEU 10 HG LEU 10 -5.982 14.818 -1.455 73 HD11 LEU 10 HD11 LEU 10 -4.986 14.929 1.105 74 HD12 LEU 10 HD12 LEU 10 -4.812 16.169 -0.137 75 HD13 LEU 10 HD13 LEU 10 -3.538 14.973 0.099 76 HD21 LEU 10 HD21 LEU 10 -3.449 13.202 -1.331 77 HD22 LEU 10 HD22 LEU 10 -3.869 14.465 -2.486 78 HD23 LEU 10 HD23 LEU 10 -4.733 12.928 -2.508 79 H GLU 11 HN GLU 11 -2.944 10.967 -0.247 80 HA GLU 11 HA GLU 11 -3.535 8.869 -1.972 81 HB2 GLU 11 HB2 GLU 11 -3.033 9.760 -4.158 82 HB3 GLU 11 HB1 GLU 11 -4.357 10.678 -3.457 83 HG2 GLU 11 HG2 GLU 11 -2.372 12.236 -2.666 84 HG3 GLU 11 HG1 GLU 11 -1.579 11.508 -4.062 85 H GLN 12 HN GLN 12 -1.705 9.236 0.099 86 HA GLN 12 HA GLN 12 0.634 8.220 -1.054 87 HB2 GLN 12 HB2 GLN 12 2.147 10.193 -0.361 88 HB3 GLN 12 HB1 GLN 12 1.282 10.286 -1.887 89 HG2 GLN 12 HG2 GLN 12 -0.515 11.500 -0.377 90 HG3 GLN 12 HG1 GLN 12 0.907 11.830 0.612 91 HE21 GLN 12 HE21 GLN 12 -0.923 13.441 -1.237 92 HE22 GLN 12 HE22 GLN 12 0.183 14.340 -2.213 93 H GLY 13 HN GLY 13 -0.793 7.260 1.015 94 HA2 GLY 13 HA2 GLY 13 -0.116 8.035 3.609 95 HA3 GLY 13 HA1 GLY 13 -0.503 6.388 3.131 96 H GLU 14 HN GLU 14 1.715 6.363 1.218 97 HA GLU 14 HA GLU 14 4.050 6.270 3.010 98 HB2 GLU 14 HB2 GLU 14 4.729 4.160 2.044 99 HB3 GLU 14 HB1 GLU 14 3.092 3.984 2.646 100 HG2 GLU 14 HG2 GLU 14 3.750 4.554 -0.230 101 HG3 GLU 14 HG1 GLU 14 3.546 2.932 0.423 102 H ASP 15 HN ASP 15 2.674 6.573 -0.158 103 HA ASP 15 HA ASP 15 4.808 6.822 -1.839 104 HB2 ASP 15 HB2 ASP 15 2.402 6.970 -2.464 105 HB3 ASP 15 HB1 ASP 15 2.364 8.602 -1.808 106 H CYS 16 HN CYS 16 3.682 9.034 0.578 107 HA CYS 16 HA CYS 16 5.949 10.309 1.205 108 HB2 CYS 16 HB2 CYS 16 6.530 11.301 -0.775 109 HB3 CYS 16 HB1 CYS 16 4.867 11.397 -1.342 110 H ASP 17 HN ASP 17 5.476 11.325 3.014 111 HA ASP 17 HA ASP 17 4.369 12.497 4.612 112 HB2 ASP 17 HB2 ASP 17 2.432 13.239 2.407 113 HB3 ASP 17 HB1 ASP 17 2.500 13.969 4.006 114 H CYS 18 HN CYS 18 2.102 12.564 5.674 115 HA CYS 18 HA CYS 18 0.487 10.232 5.054 116 HB2 CYS 18 HB2 CYS 18 2.497 10.097 7.028 117 HB3 CYS 18 HB1 CYS 18 0.973 10.232 7.901 118 H GLY 19 HN GLY 19 1.088 12.957 7.225 119 HA2 GLY 19 HA2 GLY 19 -0.363 14.593 7.957 120 HA3 GLY 19 HA1 GLY 19 -1.585 13.896 6.912 121 H SER 20 HN SER 20 -0.924 11.225 8.386 122 HA SER 20 HA SER 20 -2.776 11.780 10.566 123 HB2 SER 20 HB2 SER 20 -3.305 9.461 10.596 124 HB3 SER 20 HB1 SER 20 -3.307 9.972 8.909 125 HG SER 20 HG SER 20 -1.370 8.450 10.292 126 HA PRO 21 HA PRO 21 1.150 12.176 12.853 127 HB2 PRO 21 HB2 PRO 21 -0.588 12.312 15.152 128 HB3 PRO 21 HB1 PRO 21 0.402 13.584 14.435 129 HG2 PRO 21 HG2 PRO 21 -2.461 13.013 14.069 130 HG3 PRO 21 HG1 PRO 21 -1.567 14.513 13.774 131 HD2 PRO 21 HD2 PRO 21 -2.525 13.002 11.757 132 HD3 PRO 21 HD1 PRO 21 -0.996 13.888 11.614 133 H ALA 22 HN ALA 22 -1.531 9.965 13.409 134 HA ALA 22 HA ALA 22 -0.504 8.380 15.425 135 HB1 ALA 22 HB1 ALA 22 -2.313 7.863 13.118 136 HB2 ALA 22 HB2 ALA 22 -2.631 7.755 14.849 137 HB3 ALA 22 HB3 ALA 22 -1.711 6.487 14.041 138 H ASN 23 HN ASN 23 0.553 8.727 12.152 139 HA ASN 23 HA ASN 23 2.587 6.650 12.596 140 HB2 ASN 23 HB2 ASN 23 1.159 7.302 10.013 141 HB3 ASN 23 HB1 ASN 23 2.509 6.181 10.163 142 HD21 ASN 23 HD21 ASN 23 0.619 4.939 9.104 143 HD22 ASN 23 HD22 ASN 23 -0.347 4.007 10.192 144 H CYS 24 HN CYS 24 2.068 9.904 12.175 145 HA CYS 24 HA CYS 24 3.961 10.772 10.348 146 HB2 CYS 24 HB2 CYS 24 2.375 12.293 11.385 147 HB3 CYS 24 HB1 CYS 24 3.111 12.039 12.962 148 H GLN 25 HN GLN 25 5.819 9.522 10.397 149 HA GLN 25 HA GLN 25 7.966 9.020 10.952 150 HB2 GLN 25 HB2 GLN 25 7.714 11.205 13.025 151 HB3 GLN 25 HB1 GLN 25 9.206 10.530 12.386 152 HG2 GLN 25 HG2 GLN 25 7.933 11.372 10.119 153 HG3 GLN 25 HG1 GLN 25 7.460 12.594 11.298 154 HE21 GLN 25 HE21 GLN 25 10.321 10.831 10.170 155 HE22 GLN 25 HE22 GLN 25 11.409 12.165 10.301 156 H ASP 26 HN ASP 26 6.699 7.067 11.793 157 HA ASP 26 HA ASP 26 7.856 6.200 14.192 158 HB2 ASP 26 HB2 ASP 26 5.822 7.870 14.807 159 HB3 ASP 26 HB1 ASP 26 4.946 6.346 14.709 160 H ARG 27 HN ARG 27 4.580 5.695 12.861 161 HA ARG 27 HA ARG 27 4.657 2.916 13.077 162 HB2 ARG 27 HB2 ARG 27 2.571 4.149 12.838 163 HB3 ARG 27 HB1 ARG 27 3.014 4.620 11.206 164 HG2 ARG 27 HG2 ARG 27 1.806 2.857 10.569 165 HG3 ARG 27 HG1 ARG 27 3.200 1.900 11.074 166 HD2 ARG 27 HD2 ARG 27 1.982 2.142 13.436 167 HD3 ARG 27 HD1 ARG 27 0.571 2.283 12.388 168 HE ARG 27 HE ARG 27 1.993 0.084 11.500 169 HH11 ARG 27 HH11 ARG 27 0.369 1.069 14.427 170 HH12 ARG 27 HH12 ARG 27 -0.036 -0.548 14.896 171 HH21 ARG 27 HH21 ARG 27 1.461 -2.044 12.114 172 HH22 ARG 27 HH22 ARG 27 0.585 -2.316 13.583 173 H CYS 28 HN CYS 28 4.221 4.216 9.821 174 HA CYS 28 HA CYS 28 6.674 2.969 8.900 175 HB2 CYS 28 HB2 CYS 28 3.943 1.994 8.059 176 HB3 CYS 28 HB1 CYS 28 5.429 1.604 7.201 177 H CYS 29 HN CYS 29 5.164 5.653 8.897 178 HA CYS 29 HA CYS 29 5.830 6.281 6.132 179 HB2 CYS 29 HB2 CYS 29 3.741 7.398 5.665 180 HB3 CYS 29 HB1 CYS 29 3.409 5.731 6.120 181 H ASN 30 HN ASN 30 6.569 8.280 5.796 182 HA ASN 30 HA ASN 30 7.008 9.925 8.175 183 HB2 ASN 30 HB2 ASN 30 8.285 9.858 5.453 184 HB3 ASN 30 HB1 ASN 30 8.540 11.176 6.575 185 HD21 ASN 30 HD21 ASN 30 8.778 10.020 8.955 186 HD22 ASN 30 HD22 ASN 30 10.116 8.927 8.992 187 H ALA 31 HN ALA 31 5.314 11.114 8.524 188 HA ALA 31 HA ALA 31 3.875 12.450 6.405 189 HB1 ALA 31 HB1 ALA 31 3.601 12.464 9.406 190 HB2 ALA 31 HB2 ALA 31 2.521 11.733 8.225 191 HB3 ALA 31 HB3 ALA 31 2.623 13.485 8.356 192 H ALA 32 HN ALA 32 6.491 12.980 8.529 193 HA ALA 32 HA ALA 32 6.528 15.869 7.985 194 HB1 ALA 32 HB1 ALA 32 7.881 14.163 10.056 195 HB2 ALA 32 HB2 ALA 32 6.710 15.462 10.299 196 HB3 ALA 32 HB3 ALA 32 8.346 15.838 9.756 197 H THR 33 HN THR 33 7.739 13.064 6.687 198 HA THR 33 HA THR 33 10.144 14.456 5.736 199 HB THR 33 HB THR 33 10.439 11.590 5.608 200 HG1 THR 33 HG1 THR 33 10.575 11.377 7.949 201 HG21 THR 33 HG21 THR 33 12.508 11.977 6.456 202 HG22 THR 33 HG22 THR 33 11.953 13.287 7.498 203 HG23 THR 33 HG23 THR 33 12.153 13.561 5.766 204 H CYS 34 HN CYS 34 7.216 13.321 4.754 205 HA CYS 34 HA CYS 34 6.282 12.960 2.717 206 HB2 CYS 34 HB2 CYS 34 7.336 15.009 2.074 207 HB3 CYS 34 HB1 CYS 34 8.883 14.210 1.843 208 H LYS 35 HN LYS 35 7.449 10.621 3.827 209 HA LYS 35 HA LYS 35 7.522 8.985 1.550 210 HB2 LYS 35 HB2 LYS 35 10.086 10.156 2.263 211 HB3 LYS 35 HB1 LYS 35 10.137 8.399 2.232 212 HG2 LYS 35 HG2 LYS 35 8.766 9.600 -0.058 213 HG3 LYS 35 HG1 LYS 35 10.477 10.012 0.071 214 HD2 LYS 35 HD2 LYS 35 9.764 7.175 0.496 215 HD3 LYS 35 HD1 LYS 35 9.583 7.794 -1.147 216 HE2 LYS 35 HE2 LYS 35 11.778 7.691 -1.470 217 HE3 LYS 35 HE1 LYS 35 12.069 8.699 -0.052 218 HZ1 LYS 35 HZ1 LYS 35 11.454 5.851 0.320 219 HZ2 LYS 35 HZ2 LYS 35 12.380 6.884 1.286 220 HZ3 LYS 35 HZ3 LYS 35 13.012 6.296 -0.168 221 H LEU 36 HN LEU 36 7.314 6.853 2.040 222 HA LEU 36 HA LEU 36 6.682 6.082 4.628 223 HB2 LEU 36 HB2 LEU 36 7.478 3.701 3.572 224 HB3 LEU 36 HB1 LEU 36 5.896 4.420 3.368 225 HG LEU 36 HG LEU 36 6.446 5.222 1.190 226 HD11 LEU 36 HD11 LEU 36 9.089 4.066 0.900 227 HD12 LEU 36 HD12 LEU 36 9.045 5.363 2.092 228 HD13 LEU 36 HD13 LEU 36 8.492 5.663 0.446 229 HD21 LEU 36 HD21 LEU 36 6.019 2.693 1.696 230 HD22 LEU 36 HD22 LEU 36 7.682 2.516 1.132 231 HD23 LEU 36 HD23 LEU 36 6.462 3.224 0.073 232 H THR 37 HN THR 37 7.783 4.999 6.279 233 HA THR 37 HA THR 37 10.585 5.635 6.414 234 HB THR 37 HB THR 37 10.274 4.346 8.690 235 HG1 THR 37 HG1 THR 37 7.619 5.145 8.409 236 HG21 THR 37 HG21 THR 37 9.746 6.318 9.770 237 HG22 THR 37 HG22 THR 37 8.699 6.874 8.463 238 HG23 THR 37 HG23 THR 37 10.450 6.876 8.252 239 HA PRO 38 HA PRO 38 12.644 1.968 5.166 240 HB2 PRO 38 HB2 PRO 38 13.894 1.973 7.878 241 HB3 PRO 38 HB1 PRO 38 14.657 1.856 6.288 242 HG2 PRO 38 HG2 PRO 38 14.726 4.137 7.650 243 HG3 PRO 38 HG1 PRO 38 14.490 4.137 5.892 244 HD2 PRO 38 HD2 PRO 38 12.514 4.615 8.071 245 HD3 PRO 38 HD1 PRO 38 12.603 5.329 6.449 246 H GLY 39 HN GLY 39 12.457 -0.233 5.314 247 HA2 GLY 39 HA2 GLY 39 11.941 -2.293 6.309 248 HA3 GLY 39 HA1 GLY 39 11.356 -1.437 7.728 249 H SER 40 HN SER 40 9.831 0.299 5.621 250 HA SER 40 HA SER 40 7.547 -1.545 5.418 251 HB2 SER 40 HB2 SER 40 7.025 0.301 6.873 252 HB3 SER 40 HB1 SER 40 7.637 1.466 5.700 253 HG SER 40 HG SER 40 5.772 1.424 4.746 254 H GLN 41 HN GLN 41 7.137 -2.239 3.433 255 HA GLN 41 HA GLN 41 8.305 -1.038 1.121 256 HB2 GLN 41 HB2 GLN 41 6.306 -3.265 1.497 257 HB3 GLN 41 HB1 GLN 41 6.835 -2.731 -0.093 258 HG2 GLN 41 HG2 GLN 41 9.220 -3.116 1.075 259 HG3 GLN 41 HG1 GLN 41 8.256 -4.303 1.952 260 HE21 GLN 41 HE21 GLN 41 7.524 -6.103 0.910 261 HE22 GLN 41 HE22 GLN 41 7.987 -6.528 -0.699 262 H CYS 42 HN CYS 42 5.206 -0.873 2.708 263 HA CYS 42 HA CYS 42 4.464 1.477 1.300 264 HB2 CYS 42 HB2 CYS 42 2.529 0.663 0.098 265 HB3 CYS 42 HB1 CYS 42 3.954 -0.215 -0.446 266 H ASN 43 HN ASN 43 2.366 2.303 1.983 267 HA ASN 43 HA ASN 43 1.635 1.280 4.637 268 HB2 ASN 43 HB2 ASN 43 2.557 3.619 4.532 269 HB3 ASN 43 HB1 ASN 43 1.154 4.068 3.566 270 HD21 ASN 43 HD21 ASN 43 -0.893 4.081 4.529 271 HD22 ASN 43 HD22 ASN 43 -1.085 4.151 6.244 272 H TYR 44 HN TYR 44 0.496 2.257 1.487 273 HA TYR 44 HA TYR 44 -2.062 0.960 2.052 274 HB2 TYR 44 HB2 TYR 44 -3.418 2.743 1.520 275 HB3 TYR 44 HB1 TYR 44 -2.087 3.590 2.296 276 HD1 TYR 44 HD2 TYR 44 -3.472 2.641 -1.015 277 HD2 TYR 44 HD1 TYR 44 -0.870 5.236 1.129 278 HE1 TYR 44 HE2 TYR 44 -3.186 4.011 -3.034 279 HE2 TYR 44 HE1 TYR 44 -0.577 6.615 -0.886 280 HH TYR 44 HH TYR 44 -2.546 6.259 -3.660 281 H GLY 45 HN GLY 45 -3.075 0.065 0.232 282 HA2 GLY 45 HA2 GLY 45 -2.804 0.377 -2.390 283 HA3 GLY 45 HA1 GLY 45 -1.261 -0.371 -2.008 284 H GLU 46 HN GLU 46 -3.019 -1.560 -3.761 285 HA GLU 46 HA GLU 46 -4.800 -3.412 -2.650 286 HB2 GLU 46 HB2 GLU 46 -3.350 -3.145 -5.233 287 HB3 GLU 46 HB1 GLU 46 -4.033 -4.721 -4.855 288 HG2 GLU 46 HG2 GLU 46 -6.002 -4.023 -5.565 289 HG3 GLU 46 HG1 GLU 46 -6.024 -2.812 -4.284 290 H CYS 47 HN CYS 47 -1.338 -3.593 -3.266 291 HA CYS 47 HA CYS 47 -1.258 -6.290 -2.120 292 HB2 CYS 47 HB2 CYS 47 -0.082 -5.500 -4.348 293 HB3 CYS 47 HB1 CYS 47 1.154 -4.924 -3.236 294 H CYS 48 HN CYS 48 -1.652 -3.812 -0.531 295 HA CYS 48 HA CYS 48 0.851 -3.710 0.988 296 HB2 CYS 48 HB2 CYS 48 -0.785 -1.691 0.185 297 HB3 CYS 48 HB1 CYS 48 -1.393 -1.981 1.811 298 H ASP 49 HN ASP 49 1.052 -4.531 2.992 299 HA ASP 49 HA ASP 49 -1.252 -5.102 4.627 300 HB2 ASP 49 HB2 ASP 49 -0.673 -7.070 2.882 301 HB3 ASP 49 HB1 ASP 49 0.407 -7.520 4.198 302 H GLN 50 HN GLN 50 -0.496 -4.086 6.379 303 HA GLN 50 HA GLN 50 0.801 -3.534 8.165 304 HB2 GLN 50 HB2 GLN 50 0.327 -6.071 8.424 305 HB3 GLN 50 HB1 GLN 50 2.023 -6.271 8.005 306 HG2 GLN 50 HG2 GLN 50 2.747 -5.140 9.924 307 HG3 GLN 50 HG1 GLN 50 1.147 -4.465 10.231 308 HE21 GLN 50 HE21 GLN 50 3.304 -6.927 10.960 309 HE22 GLN 50 HE22 GLN 50 2.229 -7.964 11.828 310 H CYS 51 HN CYS 51 1.936 -2.241 6.323 311 HA CYS 51 HA CYS 51 3.852 -1.367 5.456 312 HB2 CYS 51 HB2 CYS 51 5.322 -2.708 7.712 313 HB3 CYS 51 HB1 CYS 51 5.674 -1.168 6.938 314 H ARG 52 HN ARG 52 3.120 -4.235 4.771 315 HA ARG 52 HA ARG 52 5.649 -4.847 3.446 316 HB2 ARG 52 HB2 ARG 52 4.084 -6.935 4.973 317 HB3 ARG 52 HB1 ARG 52 5.553 -7.205 4.046 318 HG2 ARG 52 HG2 ARG 52 5.448 -5.353 6.408 319 HG3 ARG 52 HG1 ARG 52 5.805 -7.074 6.554 320 HD2 ARG 52 HD2 ARG 52 7.387 -4.940 5.154 321 HD3 ARG 52 HD1 ARG 52 7.901 -6.018 6.450 322 HE ARG 52 HE ARG 52 7.995 -6.543 3.658 323 HH11 ARG 52 HH11 ARG 52 7.507 -8.074 6.756 324 HH12 ARG 52 HH12 ARG 52 8.044 -9.628 6.212 325 HH21 ARG 52 HH21 ARG 52 8.702 -8.585 2.942 326 HH22 ARG 52 HH22 ARG 52 8.723 -9.918 4.048 327 H PHE 53 HN PHE 53 5.421 -5.896 1.470 328 HA PHE 53 HA PHE 53 2.900 -5.555 0.197 329 HB2 PHE 53 HB2 PHE 53 5.528 -6.713 -0.693 330 HB3 PHE 53 HB1 PHE 53 4.101 -6.812 -1.720 331 HD1 PHE 53 HD2 PHE 53 2.925 -4.112 -0.953 332 HD2 PHE 53 HD1 PHE 53 6.853 -5.320 -2.054 333 HE1 PHE 53 HE2 PHE 53 3.372 -1.857 -1.795 334 HE2 PHE 53 HE1 PHE 53 7.311 -3.055 -2.903 335 HZ PHE 53 HZ PHE 53 5.569 -1.318 -2.775 336 H LYS 54 HN LYS 54 1.361 -7.015 -0.376 337 HA LYS 54 HA LYS 54 1.090 -9.369 1.126 338 HB2 LYS 54 HB2 LYS 54 -0.392 -7.991 -0.963 339 HB3 LYS 54 HB1 LYS 54 -0.482 -9.737 -1.153 340 HG2 LYS 54 HG2 LYS 54 -1.639 -10.031 0.794 341 HG3 LYS 54 HG1 LYS 54 -0.964 -8.583 1.543 342 HD2 LYS 54 HD2 LYS 54 -2.685 -8.207 -0.843 343 HD3 LYS 54 HD1 LYS 54 -3.476 -8.703 0.655 344 HE2 LYS 54 HE2 LYS 54 -2.358 -6.798 1.800 345 HE3 LYS 54 HE1 LYS 54 -1.741 -6.273 0.234 346 HZ1 LYS 54 HZ1 LYS 54 -4.120 -6.192 -0.503 347 HZ2 LYS 54 HZ2 LYS 54 -3.688 -5.036 0.653 348 HZ3 LYS 54 HZ3 LYS 54 -4.567 -6.405 1.115 349 H LYS 55 HN LYS 55 2.462 -11.017 0.989 350 HA LYS 55 HA LYS 55 4.304 -11.703 -0.809 351 HB2 LYS 55 HB2 LYS 55 3.870 -12.935 1.285 352 HB3 LYS 55 HB1 LYS 55 2.485 -13.711 0.529 353 HG2 LYS 55 HG2 LYS 55 4.022 -14.691 -1.156 354 HG3 LYS 55 HG1 LYS 55 5.376 -14.014 -0.249 355 HD2 LYS 55 HD2 LYS 55 4.453 -15.272 1.762 356 HD3 LYS 55 HD1 LYS 55 3.422 -16.130 0.616 357 HE2 LYS 55 HE2 LYS 55 5.174 -17.254 -0.331 358 HE3 LYS 55 HE1 LYS 55 6.333 -15.977 0.038 359 HZ1 LYS 55 HZ1 LYS 55 5.149 -17.460 2.269 360 HZ2 LYS 55 HZ2 LYS 55 6.688 -16.774 2.127 361 HZ3 LYS 55 HZ3 LYS 55 6.337 -18.231 1.343 362 H ALA 56 HN ALA 56 4.463 -12.328 -2.855 363 HA ALA 56 HA ALA 56 2.528 -12.215 -4.733 364 HB1 ALA 56 HB1 ALA 56 5.054 -13.780 -4.594 365 HB2 ALA 56 HB2 ALA 56 4.596 -12.465 -5.676 366 HB3 ALA 56 HB3 ALA 56 3.943 -14.084 -5.930 367 H GLY 57 HN GLY 57 0.784 -13.334 -5.292 368 HA2 GLY 57 HA2 GLY 57 -0.192 -15.568 -5.713 369 HA3 GLY 57 HA1 GLY 57 0.485 -16.058 -4.164 370 H THR 58 HN THR 58 -0.358 -13.110 -3.400 371 HA THR 58 HA THR 58 -2.855 -13.909 -2.201 372 HB THR 58 HB THR 58 -1.308 -11.306 -2.169 373 HG1 THR 58 HG1 THR 58 -0.298 -12.914 -1.000 374 HG21 THR 58 HG21 THR 58 -4.001 -11.633 -1.497 375 HG22 THR 58 HG22 THR 58 -2.945 -10.264 -1.131 376 HG23 THR 58 HG23 THR 58 -3.112 -11.585 0.027 377 H VAL 59 HN VAL 59 -4.572 -14.016 -3.552 378 HA VAL 59 HA VAL 59 -4.874 -12.529 -5.906 379 HB VAL 59 HB VAL 59 -6.108 -14.618 -5.499 380 HG11 VAL 59 HG11 VAL 59 -7.548 -14.962 -3.809 381 HG12 VAL 59 HG12 VAL 59 -8.215 -13.333 -3.908 382 HG13 VAL 59 HG13 VAL 59 -6.696 -13.614 -3.057 383 HG21 VAL 59 HG21 VAL 59 -7.268 -13.749 -7.201 384 HG22 VAL 59 HG22 VAL 59 -7.308 -12.144 -6.470 385 HG23 VAL 59 HG23 VAL 59 -8.495 -13.358 -5.996 386 H CYS 60 HN CYS 60 -5.376 -10.474 -6.232 387 HA CYS 60 HA CYS 60 -6.750 -9.015 -4.061 388 HB2 CYS 60 HB2 CYS 60 -5.202 -7.661 -6.246 389 HB3 CYS 60 HB1 CYS 60 -5.620 -7.052 -4.649 390 H ARG 61 HN ARG 61 -6.963 -10.012 -7.339 391 HA ARG 61 HA ARG 61 -9.589 -8.799 -7.563 392 HB2 ARG 61 HB2 ARG 61 -7.452 -7.411 -8.609 393 HB3 ARG 61 HB1 ARG 61 -8.021 -8.326 -9.997 394 HG2 ARG 61 HG2 ARG 61 -10.355 -7.410 -9.302 395 HG3 ARG 61 HG1 ARG 61 -9.410 -6.202 -8.431 396 HD2 ARG 61 HD2 ARG 61 -9.722 -6.635 -11.350 397 HD3 ARG 61 HD1 ARG 61 -9.612 -5.131 -10.438 398 HE ARG 61 HE ARG 61 -7.488 -6.522 -11.692 399 HH11 ARG 61 HH11 ARG 61 -8.257 -4.516 -8.949 400 HH12 ARG 61 HH12 ARG 61 -6.623 -3.993 -8.715 401 HH21 ARG 61 HH21 ARG 61 -5.337 -5.867 -11.371 402 HH22 ARG 61 HH22 ARG 61 -4.964 -4.754 -10.099 403 H ILE 62 HN ILE 62 -10.354 -9.307 -9.987 404 HA ILE 62 HA ILE 62 -9.425 -11.580 -11.303 405 HB ILE 62 HB ILE 62 -10.033 -12.914 -9.422 406 HG12 ILE 62 HG12 ILE 62 -11.783 -14.374 -10.355 407 HG13 ILE 62 HG11 ILE 62 -12.241 -13.105 -11.485 408 HG21 ILE 62 HG21 ILE 62 -11.986 -12.764 -8.190 409 HG22 ILE 62 HG22 ILE 62 -12.860 -11.951 -9.490 410 HG23 ILE 62 HG23 ILE 62 -11.635 -11.078 -8.570 411 HD11 ILE 62 HD11 ILE 62 -9.842 -14.862 -11.477 412 HD12 ILE 62 HD12 ILE 62 -9.745 -13.268 -12.224 413 HD13 ILE 62 HD13 ILE 62 -10.930 -14.440 -12.799 414 H ALA 63 HN ALA 63 -10.371 -11.672 -13.241 415 HA ALA 63 HA ALA 63 -12.024 -9.646 -14.124 416 HB1 ALA 63 HB1 ALA 63 -11.323 -10.462 -16.051 417 HB2 ALA 63 HB2 ALA 63 -12.443 -11.809 -15.876 418 HB3 ALA 63 HB3 ALA 63 -10.794 -11.947 -15.266 419 H ARG 64 HN ARG 64 -13.393 -12.807 -14.785 420 HA ARG 64 HA ARG 64 -15.661 -12.242 -13.034 421 HB2 ARG 64 HB2 ARG 64 -15.761 -12.400 -16.023 422 HB3 ARG 64 HB1 ARG 64 -17.141 -12.940 -15.076 423 HG2 ARG 64 HG2 ARG 64 -15.905 -10.196 -14.955 424 HG3 ARG 64 HG1 ARG 64 -17.383 -10.625 -15.820 425 HD2 ARG 64 HD2 ARG 64 -18.301 -11.423 -13.611 426 HD3 ARG 64 HD1 ARG 64 -16.896 -10.680 -12.849 427 HE ARG 64 HE ARG 64 -18.043 -8.724 -14.422 428 HH11 ARG 64 HH11 ARG 64 -19.005 -10.691 -11.705 429 HH12 ARG 64 HH12 ARG 64 -20.098 -9.506 -11.074 430 HH21 ARG 64 HH21 ARG 64 -19.481 -7.164 -13.593 431 HH22 ARG 64 HH22 ARG 64 -20.369 -7.504 -12.146 432 H GLY 65 HN GLY 65 -14.931 -14.065 -11.830 433 HA2 GLY 65 HA2 GLY 65 -16.027 -16.338 -11.667 434 HA3 GLY 65 HA1 GLY 65 -15.275 -16.641 -13.228 435 H ASP 66 HN ASP 66 -13.283 -17.446 -13.288 436 HA ASP 66 HA ASP 66 -11.242 -16.972 -11.463 437 HB2 ASP 66 HB2 ASP 66 -11.188 -19.257 -10.352 438 HB3 ASP 66 HB1 ASP 66 -12.433 -18.153 -9.777 439 H TRP 67 HN TRP 67 -10.097 -16.856 -13.352 440 HA TRP 67 HA TRP 67 -9.529 -19.426 -14.679 441 HB2 TRP 67 HB2 TRP 67 -8.739 -17.365 -16.417 442 HB3 TRP 67 HB1 TRP 67 -10.119 -18.439 -16.606 443 HD1 TRP 67 HD1 TRP 67 -9.418 -15.077 -14.736 444 HE1 TRP 67 HE1 TRP 67 -11.506 -13.618 -14.966 445 HE3 TRP 67 HE3 TRP 67 -12.368 -18.317 -17.355 446 HZ2 TRP 67 HZ2 TRP 67 -14.074 -13.805 -16.126 447 HZ3 TRP 67 HZ3 TRP 67 -14.633 -17.597 -17.995 448 HH2 TRP 67 HH2 TRP 67 -15.468 -15.383 -17.391 449 H ASN 68 HN ASN 68 -8.102 -16.209 -14.571 450 HA ASN 68 HA ASN 68 -5.472 -17.396 -14.042 451 HB2 ASN 68 HB2 ASN 68 -5.898 -14.538 -14.870 452 HB3 ASN 68 HB1 ASN 68 -4.495 -15.569 -15.134 453 HD21 ASN 68 HD21 ASN 68 -7.872 -15.105 -16.067 454 HD22 ASN 68 HD22 ASN 68 -7.707 -15.757 -17.657 455 H ASP 69 HN ASP 69 -7.801 -15.002 -12.999 456 HA ASP 69 HA ASP 69 -8.090 -13.844 -11.075 457 HB2 ASP 69 HB2 ASP 69 -6.670 -16.308 -10.237 458 HB3 ASP 69 HB1 ASP 69 -6.700 -14.988 -9.072 459 H ASP 70 HN ASP 70 -7.268 -12.000 -10.282 460 HA ASP 70 HA ASP 70 -4.646 -11.189 -11.053 461 HB2 ASP 70 HB2 ASP 70 -6.432 -9.547 -10.928 462 HB3 ASP 70 HB1 ASP 70 -6.694 -9.914 -9.232 463 H TYR 71 HN TYR 71 -2.770 -11.159 -9.861 464 HA TYR 71 HA TYR 71 -3.007 -11.937 -7.040 465 HB2 TYR 71 HB2 TYR 71 -1.594 -13.410 -9.207 466 HB3 TYR 71 HB1 TYR 71 -0.945 -13.455 -7.568 467 HD1 TYR 71 HD2 TYR 71 -2.590 -14.077 -5.709 468 HD2 TYR 71 HD1 TYR 71 -3.285 -14.888 -9.813 469 HE1 TYR 71 HE2 TYR 71 -4.202 -15.806 -5.070 470 HE2 TYR 71 HE1 TYR 71 -4.918 -16.615 -9.206 471 HH TYR 71 HH TYR 71 -6.251 -16.912 -6.188 472 H CYS 72 HN CYS 72 -1.450 -11.363 -5.672 473 HA CYS 72 HA CYS 72 0.050 -9.036 -6.214 474 HB2 CYS 72 HB2 CYS 72 -0.389 -10.861 -3.953 475 HB3 CYS 72 HB1 CYS 72 1.202 -10.107 -3.961 476 H THR 73 HN THR 73 2.424 -8.854 -5.942 477 HA THR 73 HA THR 73 3.822 -11.215 -7.014 478 HB THR 73 HB THR 73 5.108 -9.868 -8.465 479 HG1 THR 73 HG1 THR 73 5.222 -7.676 -8.321 480 HG21 THR 73 HG21 THR 73 2.374 -9.888 -8.744 481 HG22 THR 73 HG22 THR 73 3.547 -9.408 -9.970 482 HG23 THR 73 HG23 THR 73 2.798 -8.187 -8.940 483 H GLY 74 HN GLY 74 3.543 -9.267 -4.377 484 HA2 GLY 74 HA2 GLY 74 4.862 -8.869 -2.545 485 HA3 GLY 74 HA1 GLY 74 5.783 -10.274 -3.059 486 H LYS 75 HN LYS 75 5.541 -7.593 -5.229 487 HA LYS 75 HA LYS 75 8.176 -6.610 -4.393 488 HB2 LYS 75 HB2 LYS 75 7.492 -7.078 -7.289 489 HB3 LYS 75 HB1 LYS 75 9.060 -6.685 -6.597 490 HG2 LYS 75 HG2 LYS 75 8.438 -9.014 -5.314 491 HG3 LYS 75 HG1 LYS 75 7.738 -9.267 -6.914 492 HD2 LYS 75 HD2 LYS 75 10.129 -8.227 -7.599 493 HD3 LYS 75 HD1 LYS 75 10.562 -9.033 -6.090 494 HE2 LYS 75 HE2 LYS 75 10.909 -10.567 -7.899 495 HE3 LYS 75 HE1 LYS 75 9.515 -11.109 -6.965 496 HZ1 LYS 75 HZ1 LYS 75 9.650 -10.136 -9.695 497 HZ2 LYS 75 HZ2 LYS 75 8.328 -9.586 -8.796 498 HZ3 LYS 75 HZ3 LYS 75 8.585 -11.247 -8.991 499 H SER 76 HN SER 76 5.137 -5.751 -4.645 500 HA SER 76 HA SER 76 5.648 -2.993 -4.851 501 HB2 SER 76 HB2 SER 76 4.829 -4.389 -7.343 502 HB3 SER 76 HB1 SER 76 4.029 -2.858 -6.989 503 HG SER 76 HG SER 76 5.762 -1.996 -7.793 504 H SER 77 HN SER 77 3.566 -1.710 -4.934 505 HA SER 77 HA SER 77 1.612 -3.050 -3.245 506 HB2 SER 77 HB2 SER 77 0.978 -0.290 -3.859 507 HB3 SER 77 HB1 SER 77 1.342 -1.032 -2.302 508 HG SER 77 HG SER 77 3.010 0.312 -4.073 509 H ASP 78 HN ASP 78 1.957 -3.136 -6.388 510 HA ASP 78 HA ASP 78 -0.885 -2.639 -6.978 511 HB2 ASP 78 HB2 ASP 78 1.375 -1.667 -8.291 512 HB3 ASP 78 HB1 ASP 78 0.791 -2.965 -9.329 513 H CYS 79 HN CYS 79 -2.111 -4.335 -7.366 514 HA CYS 79 HA CYS 79 -0.868 -6.951 -7.797 515 HB2 CYS 79 HB2 CYS 79 -3.005 -6.106 -6.232 516 HB3 CYS 79 HB1 CYS 79 -3.779 -6.908 -7.595 517 HA PRO 80 HA PRO 80 -2.010 -6.248 -12.121 518 HB2 PRO 80 HB2 PRO 80 -0.571 -8.274 -13.164 519 HB3 PRO 80 HB1 PRO 80 0.162 -6.745 -12.666 520 HG2 PRO 80 HG2 PRO 80 0.072 -9.363 -11.220 521 HG3 PRO 80 HG1 PRO 80 1.419 -8.222 -11.386 522 HD2 PRO 80 HD2 PRO 80 -0.152 -8.373 -9.163 523 HD3 PRO 80 HD1 PRO 80 0.656 -6.884 -9.685 524 H TRP 81 HN TRP 81 -3.493 -7.116 -13.435 525 HA TRP 81 HA TRP 81 -4.570 -9.759 -12.770 526 HB2 TRP 81 HB2 TRP 81 -6.825 -8.908 -13.286 527 HB3 TRP 81 HB1 TRP 81 -6.105 -8.103 -11.903 528 HD1 TRP 81 HD1 TRP 81 -4.467 -5.815 -13.252 529 HE1 TRP 81 HE1 TRP 81 -5.675 -3.919 -14.475 530 HE3 TRP 81 HE3 TRP 81 -8.866 -8.185 -14.211 531 HZ2 TRP 81 HZ2 TRP 81 -8.188 -3.475 -15.669 532 HZ3 TRP 81 HZ3 TRP 81 -10.642 -6.954 -15.401 533 HH2 TRP 81 HH2 TRP 81 -10.303 -4.645 -16.119 534 H ASN 82 HN ASN 82 -3.252 -10.517 -14.464 535 HA ASN 82 HA ASN 82 -3.233 -9.642 -17.100 536 HB2 ASN 82 HB2 ASN 82 -2.981 -12.523 -16.226 537 HB3 ASN 82 HB1 ASN 82 -2.307 -11.785 -17.675 538 HD21 ASN 82 HD21 ASN 82 -1.781 -12.586 -14.451 539 HD22 ASN 82 HD22 ASN 82 -0.285 -11.752 -14.225 540 H HIS 83 HN HIS 83 -5.412 -9.062 -17.550 541 HA HIS 83 HA HIS 83 -6.948 -11.299 -18.632 542 HB2 HIS 83 HB2 HIS 83 -8.107 -9.213 -16.773 543 HB3 HIS 83 HB1 HIS 83 -9.057 -10.372 -17.698 544 HD1 HIS 83 HD1 HIS 83 -8.092 -9.934 -14.417 545 HD2 HIS 83 HD2 HIS 83 -7.758 -13.158 -17.012 546 HE1 HIS 83 HE1 HIS 83 -7.833 -11.954 -12.945 547 HE2 HIS 83 HE2 HIS 83 -7.747 -13.903 -14.538 Start of MODEL 23 1 H1 SER 1 HT1 SER 1 -5.664 16.316 19.775 2 H2 SER 1 HT2 SER 1 -4.764 14.951 19.254 3 H3 SER 1 HT3 SER 1 -4.577 16.460 18.459 4 HA SER 1 HA SER 1 -3.996 17.207 20.885 5 HB2 SER 1 HB2 SER 1 -3.844 14.275 20.834 6 HB3 SER 1 HB1 SER 1 -2.360 15.045 21.395 7 HG SER 1 HG SER 1 -4.772 14.816 22.633 8 HA PRO 2 HA PRO 2 0.038 16.595 18.459 9 HB2 PRO 2 HB2 PRO 2 0.340 14.633 16.687 10 HB3 PRO 2 HB1 PRO 2 0.379 14.295 18.421 11 HG2 PRO 2 HG2 PRO 2 -1.802 13.819 16.446 12 HG3 PRO 2 HG1 PRO 2 -1.318 12.842 17.842 13 HD2 PRO 2 HD2 PRO 2 -3.440 14.681 17.748 14 HD3 PRO 2 HD1 PRO 2 -2.741 13.960 19.211 15 HA PRO 3 HA PRO 3 -1.164 18.835 14.814 16 HB2 PRO 3 HB2 PRO 3 1.224 19.714 13.985 17 HB3 PRO 3 HB1 PRO 3 0.493 20.302 15.484 18 HG2 PRO 3 HG2 PRO 3 2.635 18.249 15.097 19 HG3 PRO 3 HG1 PRO 3 2.522 19.534 16.313 20 HD2 PRO 3 HD2 PRO 3 1.853 16.905 16.773 21 HD3 PRO 3 HD1 PRO 3 1.197 18.276 17.688 22 H VAL 4 HN VAL 4 -1.730 18.154 12.864 23 HA VAL 4 HA VAL 4 -0.770 15.830 11.701 24 HB VAL 4 HB VAL 4 -3.030 16.721 11.388 25 HG11 VAL 4 HG11 VAL 4 -2.022 18.765 9.470 26 HG12 VAL 4 HG12 VAL 4 -2.043 19.134 11.194 27 HG13 VAL 4 HG13 VAL 4 -3.540 18.707 10.365 28 HG21 VAL 4 HG21 VAL 4 -3.112 16.531 8.889 29 HG22 VAL 4 HG22 VAL 4 -2.393 15.181 9.751 30 HG23 VAL 4 HG23 VAL 4 -1.363 16.357 8.929 31 H CYS 5 HN CYS 5 1.454 16.019 11.471 32 HA CYS 5 HA CYS 5 2.710 18.204 10.163 33 HB2 CYS 5 HB2 CYS 5 4.258 15.765 9.894 34 HB3 CYS 5 HB1 CYS 5 4.621 17.213 10.812 35 H GLY 6 HN GLY 6 1.859 18.666 8.217 36 HA2 GLY 6 HA2 GLY 6 2.179 18.435 5.860 37 HA3 GLY 6 HA1 GLY 6 2.314 16.697 6.083 38 H ASN 7 HN ASN 7 -0.216 18.030 7.904 39 HA ASN 7 HA ASN 7 -2.481 17.913 7.776 40 HB2 ASN 7 HB2 ASN 7 -1.670 18.660 5.010 41 HB3 ASN 7 HB1 ASN 7 -3.316 18.065 5.214 42 HD21 ASN 7 HD21 ASN 7 -4.459 19.085 7.160 43 HD22 ASN 7 HD22 ASN 7 -4.298 20.799 7.309 44 H LYS 8 HN LYS 8 -4.107 16.331 7.557 45 HA LYS 8 HA LYS 8 -3.314 13.697 7.311 46 HB2 LYS 8 HB2 LYS 8 -5.514 14.684 8.263 47 HB3 LYS 8 HB1 LYS 8 -6.119 14.518 6.620 48 HG2 LYS 8 HG2 LYS 8 -4.996 12.271 8.283 49 HG3 LYS 8 HG1 LYS 8 -6.711 12.611 8.054 50 HD2 LYS 8 HD2 LYS 8 -5.879 12.503 5.479 51 HD3 LYS 8 HD1 LYS 8 -4.763 11.356 6.225 52 HE2 LYS 8 HE2 LYS 8 -7.068 10.566 7.360 53 HE3 LYS 8 HE1 LYS 8 -7.686 11.189 5.831 54 HZ1 LYS 8 HZ1 LYS 8 -7.155 8.838 5.682 55 HZ2 LYS 8 HZ2 LYS 8 -5.552 9.144 6.124 56 HZ3 LYS 8 HZ3 LYS 8 -6.152 9.738 4.659 57 H ILE 9 HN ILE 9 -2.459 12.736 5.611 58 HA ILE 9 HA ILE 9 -2.543 13.633 2.995 59 HB ILE 9 HB ILE 9 -2.019 11.371 2.209 60 HG12 ILE 9 HG12 ILE 9 -3.450 10.518 4.428 61 HG13 ILE 9 HG11 ILE 9 -2.503 9.507 3.345 62 HG21 ILE 9 HG21 ILE 9 -0.257 12.796 3.012 63 HG22 ILE 9 HG22 ILE 9 0.080 11.120 3.448 64 HG23 ILE 9 HG23 ILE 9 -0.529 12.243 4.662 65 HD11 ILE 9 HD11 ILE 9 -2.026 9.139 5.733 66 HD12 ILE 9 HD12 ILE 9 -1.438 10.796 5.834 67 HD13 ILE 9 HD13 ILE 9 -0.612 9.633 4.802 68 H LEU 10 HN LEU 10 -4.066 13.864 1.557 69 HA LEU 10 HA LEU 10 -6.610 12.520 1.955 70 HB2 LEU 10 HB2 LEU 10 -7.359 14.060 0.092 71 HB3 LEU 10 HB1 LEU 10 -6.885 14.822 1.597 72 HG LEU 10 HG LEU 10 -6.129 15.840 -0.669 73 HD11 LEU 10 HD11 LEU 10 -3.741 16.126 0.626 74 HD12 LEU 10 HD12 LEU 10 -4.832 15.662 1.931 75 HD13 LEU 10 HD13 LEU 10 -5.198 17.070 0.936 76 HD21 LEU 10 HD21 LEU 10 -5.173 13.853 -1.653 77 HD22 LEU 10 HD22 LEU 10 -4.049 13.693 -0.306 78 HD23 LEU 10 HD23 LEU 10 -3.918 15.066 -1.404 79 H GLU 11 HN GLU 11 -3.977 11.467 0.702 80 HA GLU 11 HA GLU 11 -5.134 9.564 -0.990 81 HB2 GLU 11 HB2 GLU 11 -4.397 10.274 -3.176 82 HB3 GLU 11 HB1 GLU 11 -5.409 11.532 -2.481 83 HG2 GLU 11 HG2 GLU 11 -3.796 13.007 -2.794 84 HG3 GLU 11 HG1 GLU 11 -2.738 12.078 -1.728 85 H GLN 12 HN GLN 12 -3.116 9.684 1.113 86 HA GLN 12 HA GLN 12 -1.218 7.946 -0.065 87 HB2 GLN 12 HB2 GLN 12 0.769 9.534 0.615 88 HB3 GLN 12 HB1 GLN 12 0.032 9.624 -0.976 89 HG2 GLN 12 HG2 GLN 12 -1.494 11.407 0.318 90 HG3 GLN 12 HG1 GLN 12 -0.008 11.554 1.252 91 HE21 GLN 12 HE21 GLN 12 1.979 11.403 -0.419 92 HE22 GLN 12 HE22 GLN 12 1.886 12.589 -1.672 93 H GLY 13 HN GLY 13 -2.296 6.901 1.825 94 HA2 GLY 13 HA2 GLY 13 -1.493 7.710 4.468 95 HA3 GLY 13 HA1 GLY 13 -2.345 6.236 4.045 96 H GLU 14 HN GLU 14 0.656 7.157 2.537 97 HA GLU 14 HA GLU 14 2.630 6.109 4.071 98 HB2 GLU 14 HB2 GLU 14 0.941 3.983 2.930 99 HB3 GLU 14 HB1 GLU 14 2.656 3.788 2.597 100 HG2 GLU 14 HG2 GLU 14 3.176 3.381 4.761 101 HG3 GLU 14 HG1 GLU 14 1.898 4.425 5.381 102 H ASP 15 HN ASP 15 2.222 8.040 2.167 103 HA ASP 15 HA ASP 15 4.180 7.270 0.121 104 HB2 ASP 15 HB2 ASP 15 1.447 7.902 -0.308 105 HB3 ASP 15 HB1 ASP 15 2.384 9.277 -0.889 106 H CYS 16 HN CYS 16 2.456 10.064 1.538 107 HA CYS 16 HA CYS 16 4.750 11.341 2.462 108 HB2 CYS 16 HB2 CYS 16 5.467 11.628 0.213 109 HB3 CYS 16 HB1 CYS 16 3.872 12.166 -0.298 110 H ASP 17 HN ASP 17 4.371 13.494 3.263 111 HA ASP 17 HA ASP 17 3.150 15.023 4.413 112 HB2 ASP 17 HB2 ASP 17 1.577 14.588 1.921 113 HB3 ASP 17 HB1 ASP 17 0.794 15.465 3.233 114 H CYS 18 HN CYS 18 2.932 12.195 5.055 115 HA CYS 18 HA CYS 18 0.634 10.996 5.574 116 HB2 CYS 18 HB2 CYS 18 2.614 11.458 7.809 117 HB3 CYS 18 HB1 CYS 18 1.510 10.104 7.631 118 H GLY 19 HN GLY 19 1.660 13.921 7.264 119 HA2 GLY 19 HA2 GLY 19 0.474 15.389 8.592 120 HA3 GLY 19 HA1 GLY 19 -0.939 14.822 7.729 121 H SER 20 HN SER 20 -1.693 12.547 8.490 122 HA SER 20 HA SER 20 -2.619 12.782 11.055 123 HB2 SER 20 HB2 SER 20 -3.357 10.539 10.920 124 HB3 SER 20 HB1 SER 20 -3.413 11.176 9.278 125 HG SER 20 HG SER 20 -1.859 9.851 8.697 126 HA PRO 21 HA PRO 21 1.323 12.534 13.131 127 HB2 PRO 21 HB2 PRO 21 -0.606 12.679 15.406 128 HB3 PRO 21 HB1 PRO 21 0.877 13.600 15.128 129 HG2 PRO 21 HG2 PRO 21 -1.499 14.722 14.702 130 HG3 PRO 21 HG1 PRO 21 -0.140 15.034 13.607 131 HD2 PRO 21 HD2 PRO 21 -2.519 13.275 13.216 132 HD3 PRO 21 HD1 PRO 21 -1.654 14.263 12.025 133 H ALA 22 HN ALA 22 -1.464 10.478 13.511 134 HA ALA 22 HA ALA 22 -0.562 8.648 15.389 135 HB1 ALA 22 HB1 ALA 22 -2.669 8.076 14.797 136 HB2 ALA 22 HB2 ALA 22 -1.834 7.008 13.668 137 HB3 ALA 22 HB3 ALA 22 -2.445 8.568 13.118 138 H ASN 23 HN ASN 23 0.550 9.299 12.195 139 HA ASN 23 HA ASN 23 2.324 6.958 12.284 140 HB2 ASN 23 HB2 ASN 23 1.244 8.514 9.927 141 HB3 ASN 23 HB1 ASN 23 2.514 7.298 9.800 142 HD21 ASN 23 HD21 ASN 23 0.607 6.649 8.284 143 HD22 ASN 23 HD22 ASN 23 -0.477 5.483 8.955 144 H CYS 24 HN CYS 24 2.146 10.434 12.068 145 HA CYS 24 HA CYS 24 4.567 11.142 10.997 146 HB2 CYS 24 HB2 CYS 24 2.716 12.662 11.915 147 HB3 CYS 24 HB1 CYS 24 3.519 12.500 13.473 148 H GLN 25 HN GLN 25 6.259 9.814 11.399 149 HA GLN 25 HA GLN 25 8.137 9.077 12.451 150 HB2 GLN 25 HB2 GLN 25 7.474 10.831 14.805 151 HB3 GLN 25 HB1 GLN 25 9.056 10.325 14.228 152 HG2 GLN 25 HG2 GLN 25 7.799 11.749 12.131 153 HG3 GLN 25 HG1 GLN 25 7.600 12.684 13.612 154 HE21 GLN 25 HE21 GLN 25 9.465 13.351 14.750 155 HE22 GLN 25 HE22 GLN 25 10.994 13.482 13.957 156 H ASP 26 HN ASP 26 6.324 7.270 12.570 157 HA ASP 26 HA ASP 26 6.788 5.860 14.973 158 HB2 ASP 26 HB2 ASP 26 4.292 7.439 14.786 159 HB3 ASP 26 HB1 ASP 26 4.104 5.774 15.330 160 H ARG 27 HN ARG 27 3.794 5.881 13.071 161 HA ARG 27 HA ARG 27 3.849 3.117 12.574 162 HB2 ARG 27 HB2 ARG 27 1.966 5.037 12.336 163 HB3 ARG 27 HB1 ARG 27 2.401 4.837 10.644 164 HG2 ARG 27 HG2 ARG 27 0.758 3.287 10.763 165 HG3 ARG 27 HG1 ARG 27 2.109 2.273 11.277 166 HD2 ARG 27 HD2 ARG 27 1.403 2.189 13.438 167 HD3 ARG 27 HD1 ARG 27 0.687 3.799 13.380 168 HE ARG 27 HE ARG 27 -0.767 1.996 11.749 169 HH11 ARG 27 HH11 ARG 27 -0.217 2.847 15.088 170 HH12 ARG 27 HH12 ARG 27 -1.769 2.287 15.617 171 HH21 ARG 27 HH21 ARG 27 -2.808 1.259 12.442 172 HH22 ARG 27 HH22 ARG 27 -3.239 1.385 14.115 173 H CYS 28 HN CYS 28 3.216 3.075 9.741 174 HA CYS 28 HA CYS 28 5.940 3.003 8.736 175 HB2 CYS 28 HB2 CYS 28 3.436 1.631 8.135 176 HB3 CYS 28 HB1 CYS 28 4.304 2.126 6.686 177 H CYS 29 HN CYS 29 4.184 5.521 9.065 178 HA CYS 29 HA CYS 29 4.757 6.592 6.388 179 HB2 CYS 29 HB2 CYS 29 2.253 6.146 6.936 180 HB3 CYS 29 HB1 CYS 29 2.395 7.552 7.982 181 H ASN 30 HN ASN 30 5.961 8.385 6.402 182 HA ASN 30 HA ASN 30 6.475 9.657 8.991 183 HB2 ASN 30 HB2 ASN 30 8.240 8.698 7.180 184 HB3 ASN 30 HB1 ASN 30 8.143 10.387 6.685 185 HD21 ASN 30 HD21 ASN 30 8.427 8.400 9.557 186 HD22 ASN 30 HD22 ASN 30 9.557 9.412 10.384 187 H ALA 31 HN ALA 31 5.005 11.183 9.263 188 HA ALA 31 HA ALA 31 4.088 12.918 7.192 189 HB1 ALA 31 HB1 ALA 31 3.558 14.178 9.609 190 HB2 ALA 31 HB2 ALA 31 3.529 12.463 10.000 191 HB3 ALA 31 HB3 ALA 31 2.481 13.095 8.740 192 H ALA 32 HN ALA 32 6.972 12.692 8.864 193 HA ALA 32 HA ALA 32 7.505 15.571 8.735 194 HB1 ALA 32 HB1 ALA 32 9.458 15.087 10.129 195 HB2 ALA 32 HB2 ALA 32 9.048 13.372 10.094 196 HB3 ALA 32 HB3 ALA 32 7.957 14.524 10.867 197 H THR 33 HN THR 33 8.749 12.446 7.529 198 HA THR 33 HA THR 33 10.736 13.881 5.929 199 HB THR 33 HB THR 33 11.434 11.603 5.178 200 HG1 THR 33 HG1 THR 33 10.055 10.098 5.491 201 HG21 THR 33 HG21 THR 33 12.218 10.794 7.458 202 HG22 THR 33 HG22 THR 33 11.427 12.233 8.102 203 HG23 THR 33 HG23 THR 33 12.741 12.396 6.937 204 H CYS 34 HN CYS 34 7.568 13.211 5.664 205 HA CYS 34 HA CYS 34 6.093 13.333 3.981 206 HB2 CYS 34 HB2 CYS 34 6.993 15.112 2.884 207 HB3 CYS 34 HB1 CYS 34 8.565 14.357 2.701 208 H LYS 35 HN LYS 35 7.446 10.725 4.677 209 HA LYS 35 HA LYS 35 6.139 9.260 2.678 210 HB2 LYS 35 HB2 LYS 35 7.574 8.867 1.050 211 HB3 LYS 35 HB1 LYS 35 8.556 10.159 1.721 212 HG2 LYS 35 HG2 LYS 35 9.918 8.587 2.912 213 HG3 LYS 35 HG1 LYS 35 8.843 7.257 2.471 214 HD2 LYS 35 HD2 LYS 35 9.395 7.587 0.114 215 HD3 LYS 35 HD1 LYS 35 10.469 8.918 0.550 216 HE2 LYS 35 HE2 LYS 35 11.446 6.977 2.143 217 HE3 LYS 35 HE1 LYS 35 10.855 6.002 0.798 218 HZ1 LYS 35 HZ1 LYS 35 12.894 8.144 0.750 219 HZ2 LYS 35 HZ2 LYS 35 12.129 7.615 -0.663 220 HZ3 LYS 35 HZ3 LYS 35 13.049 6.533 0.255 221 H LEU 36 HN LEU 36 6.422 6.983 2.742 222 HA LEU 36 HA LEU 36 6.087 5.840 5.164 223 HB2 LEU 36 HB2 LEU 36 6.697 3.694 4.173 224 HB3 LEU 36 HB1 LEU 36 5.719 4.652 3.078 225 HG LEU 36 HG LEU 36 8.684 4.790 2.803 226 HD11 LEU 36 HD11 LEU 36 8.283 2.829 1.108 227 HD12 LEU 36 HD12 LEU 36 6.991 2.410 2.233 228 HD13 LEU 36 HD13 LEU 36 8.659 2.502 2.800 229 HD21 LEU 36 HD21 LEU 36 7.897 4.801 0.357 230 HD22 LEU 36 HD22 LEU 36 7.570 6.224 1.345 231 HD23 LEU 36 HD23 LEU 36 6.286 5.059 1.026 232 H THR 37 HN THR 37 7.404 4.401 6.486 233 HA THR 37 HA THR 37 10.092 5.510 6.847 234 HB THR 37 HB THR 37 9.917 4.278 9.081 235 HG1 THR 37 HG1 THR 37 7.869 3.676 9.709 236 HG21 THR 37 HG21 THR 37 8.101 6.551 8.377 237 HG22 THR 37 HG22 THR 37 9.656 6.591 9.211 238 HG23 THR 37 HG23 THR 37 8.237 5.925 10.020 239 HA PRO 38 HA PRO 38 12.599 2.083 5.716 240 HB2 PRO 38 HB2 PRO 38 13.159 1.785 8.648 241 HB3 PRO 38 HB1 PRO 38 14.287 1.759 7.285 242 HG2 PRO 38 HG2 PRO 38 14.049 3.940 8.774 243 HG3 PRO 38 HG1 PRO 38 14.210 4.069 7.012 244 HD2 PRO 38 HD2 PRO 38 11.817 4.468 8.728 245 HD3 PRO 38 HD1 PRO 38 12.237 5.227 7.181 246 H GLY 39 HN GLY 39 11.963 0.085 5.196 247 HA2 GLY 39 HA2 GLY 39 11.481 -2.182 5.944 248 HA3 GLY 39 HA1 GLY 39 10.482 -1.486 7.212 249 H SER 40 HN SER 40 9.066 0.397 5.702 250 HA SER 40 HA SER 40 6.962 -1.162 4.705 251 HB2 SER 40 HB2 SER 40 6.525 1.069 5.507 252 HB3 SER 40 HB1 SER 40 7.610 1.767 4.305 253 HG SER 40 HG SER 40 5.001 1.098 4.075 254 H GLN 41 HN GLN 41 7.309 -2.517 3.041 255 HA GLN 41 HA GLN 41 9.006 -1.899 0.833 256 HB2 GLN 41 HB2 GLN 41 7.493 -4.180 1.792 257 HB3 GLN 41 HB1 GLN 41 7.342 -4.004 0.048 258 HG2 GLN 41 HG2 GLN 41 9.966 -3.701 0.226 259 HG3 GLN 41 HG1 GLN 41 9.721 -4.638 1.699 260 HE21 GLN 41 HE21 GLN 41 8.373 -4.700 -1.586 261 HE22 GLN 41 HE22 GLN 41 8.652 -6.385 -1.851 262 H CYS 42 HN CYS 42 5.607 -1.529 1.485 263 HA CYS 42 HA CYS 42 5.128 -0.775 -1.313 264 HB2 CYS 42 HB2 CYS 42 2.758 -1.037 -0.826 265 HB3 CYS 42 HB1 CYS 42 3.634 -2.491 -0.359 266 H ASN 43 HN ASN 43 4.240 1.185 -1.868 267 HA ASN 43 HA ASN 43 4.419 3.280 0.189 268 HB2 ASN 43 HB2 ASN 43 4.853 3.244 -2.776 269 HB3 ASN 43 HB1 ASN 43 4.341 4.744 -2.009 270 HD21 ASN 43 HD21 ASN 43 6.577 2.147 -1.082 271 HD22 ASN 43 HD22 ASN 43 7.932 3.183 -0.808 272 H TYR 44 HN TYR 44 2.436 1.986 -2.398 273 HA TYR 44 HA TYR 44 0.016 2.422 -1.203 274 HB2 TYR 44 HB2 TYR 44 0.866 4.850 -1.871 275 HB3 TYR 44 HB1 TYR 44 0.206 4.376 -3.439 276 HD1 TYR 44 HD2 TYR 44 -1.984 2.604 -2.451 277 HD2 TYR 44 HD1 TYR 44 -0.735 6.473 -1.225 278 HE1 TYR 44 HE2 TYR 44 -4.219 3.048 -1.638 279 HE2 TYR 44 HE1 TYR 44 -2.994 6.940 -0.396 280 HH TYR 44 HH TYR 44 -5.036 5.260 0.457 281 H GLY 45 HN GLY 45 -0.824 0.614 -2.010 282 HA2 GLY 45 HA2 GLY 45 -1.734 0.435 -4.642 283 HA3 GLY 45 HA1 GLY 45 -0.219 -0.446 -4.552 284 H GLU 46 HN GLU 46 -2.663 -1.604 -5.200 285 HA GLU 46 HA GLU 46 -4.210 -2.791 -3.308 286 HB2 GLU 46 HB2 GLU 46 -3.152 -3.718 -5.938 287 HB3 GLU 46 HB1 GLU 46 -4.034 -4.864 -4.938 288 HG2 GLU 46 HG2 GLU 46 -5.445 -3.726 -6.611 289 HG3 GLU 46 HG1 GLU 46 -5.984 -3.474 -4.951 290 H CYS 47 HN CYS 47 -1.028 -3.930 -4.384 291 HA CYS 47 HA CYS 47 -0.974 -6.225 -2.729 292 HB2 CYS 47 HB2 CYS 47 1.062 -4.695 -4.292 293 HB3 CYS 47 HB1 CYS 47 1.596 -5.939 -3.169 294 H CYS 48 HN CYS 48 -0.383 -2.892 -2.079 295 HA CYS 48 HA CYS 48 1.433 -3.102 0.039 296 HB2 CYS 48 HB2 CYS 48 0.781 -0.973 -1.079 297 HB3 CYS 48 HB1 CYS 48 -0.778 -1.060 -0.268 298 H ASP 49 HN ASP 49 1.215 -4.243 1.826 299 HA ASP 49 HA ASP 49 -1.380 -4.218 3.208 300 HB2 ASP 49 HB2 ASP 49 -0.356 -6.443 1.958 301 HB3 ASP 49 HB1 ASP 49 0.201 -6.657 3.614 302 H GLN 50 HN GLN 50 -0.969 -2.941 4.904 303 HA GLN 50 HA GLN 50 -0.135 -2.237 6.898 304 HB2 GLN 50 HB2 GLN 50 0.673 -5.063 6.766 305 HB3 GLN 50 HB1 GLN 50 1.653 -4.077 7.842 306 HG2 GLN 50 HG2 GLN 50 0.084 -4.561 9.353 307 HG3 GLN 50 HG1 GLN 50 -0.840 -3.291 8.550 308 HE21 GLN 50 HE21 GLN 50 -2.449 -3.886 7.045 309 HE22 GLN 50 HE22 GLN 50 -3.172 -5.455 7.085 310 H CYS 51 HN CYS 51 2.733 -4.081 5.912 311 HA CYS 51 HA CYS 51 4.114 -1.654 5.119 312 HB2 CYS 51 HB2 CYS 51 5.010 -3.294 7.497 313 HB3 CYS 51 HB1 CYS 51 5.980 -2.047 6.720 314 H ARG 52 HN ARG 52 3.323 -4.274 3.949 315 HA ARG 52 HA ARG 52 5.806 -4.810 2.611 316 HB2 ARG 52 HB2 ARG 52 5.531 -6.255 4.861 317 HB3 ARG 52 HB1 ARG 52 4.642 -7.288 3.751 318 HG2 ARG 52 HG2 ARG 52 6.512 -8.063 2.848 319 HG3 ARG 52 HG1 ARG 52 7.142 -6.435 2.593 320 HD2 ARG 52 HD2 ARG 52 7.168 -7.355 5.383 321 HD3 ARG 52 HD1 ARG 52 8.216 -8.262 4.293 322 HE ARG 52 HE ARG 52 8.488 -5.411 4.051 323 HH11 ARG 52 HH11 ARG 52 9.549 -8.248 5.784 324 HH12 ARG 52 HH12 ARG 52 11.056 -7.544 6.266 325 HH21 ARG 52 HH21 ARG 52 10.469 -4.483 4.684 326 HH22 ARG 52 HH22 ARG 52 11.578 -5.406 5.642 327 H PHE 53 HN PHE 53 5.529 -5.883 0.648 328 HA PHE 53 HA PHE 53 3.039 -5.592 -0.597 329 HB2 PHE 53 HB2 PHE 53 5.548 -7.066 -1.352 330 HB3 PHE 53 HB1 PHE 53 4.110 -7.162 -2.363 331 HD1 PHE 53 HD2 PHE 53 3.164 -4.303 -1.920 332 HD2 PHE 53 HD1 PHE 53 6.977 -5.950 -2.850 333 HE1 PHE 53 HE2 PHE 53 3.799 -2.198 -3.010 334 HE2 PHE 53 HE1 PHE 53 7.621 -3.841 -3.944 335 HZ PHE 53 HZ PHE 53 6.031 -1.962 -4.026 336 H LYS 54 HN LYS 54 1.388 -6.962 -1.052 337 HA LYS 54 HA LYS 54 0.831 -9.054 0.711 338 HB2 LYS 54 HB2 LYS 54 -0.408 -7.872 -1.653 339 HB3 LYS 54 HB1 LYS 54 -0.722 -9.596 -1.520 340 HG2 LYS 54 HG2 LYS 54 -1.989 -9.366 0.348 341 HG3 LYS 54 HG1 LYS 54 -1.091 -7.958 0.919 342 HD2 LYS 54 HD2 LYS 54 -2.209 -6.973 -1.346 343 HD3 LYS 54 HD1 LYS 54 -3.448 -8.120 -0.835 344 HE2 LYS 54 HE2 LYS 54 -3.458 -7.070 1.396 345 HE3 LYS 54 HE1 LYS 54 -2.275 -5.893 0.827 346 HZ1 LYS 54 HZ1 LYS 54 -3.813 -4.874 -0.531 347 HZ2 LYS 54 HZ2 LYS 54 -4.766 -5.289 0.803 348 HZ3 LYS 54 HZ3 LYS 54 -4.827 -6.226 -0.604 349 H LYS 55 HN LYS 55 2.365 -10.631 0.825 350 HA LYS 55 HA LYS 55 4.041 -11.823 -0.776 351 HB2 LYS 55 HB2 LYS 55 3.487 -12.675 1.464 352 HB3 LYS 55 HB1 LYS 55 2.033 -13.423 0.817 353 HG2 LYS 55 HG2 LYS 55 3.349 -15.239 0.702 354 HG3 LYS 55 HG1 LYS 55 3.873 -14.506 -0.815 355 HD2 LYS 55 HD2 LYS 55 5.725 -13.404 0.416 356 HD3 LYS 55 HD1 LYS 55 5.229 -14.272 1.870 357 HE2 LYS 55 HE2 LYS 55 5.426 -16.332 0.166 358 HE3 LYS 55 HE1 LYS 55 6.616 -15.248 -0.553 359 HZ1 LYS 55 HZ1 LYS 55 7.813 -15.170 1.488 360 HZ2 LYS 55 HZ2 LYS 55 7.531 -16.799 1.132 361 HZ3 LYS 55 HZ3 LYS 55 6.605 -16.020 2.313 362 H ALA 56 HN ALA 56 4.192 -12.828 -2.674 363 HA ALA 56 HA ALA 56 2.308 -12.839 -4.614 364 HB1 ALA 56 HB1 ALA 56 4.699 -14.534 -4.153 365 HB2 ALA 56 HB2 ALA 56 4.345 -13.402 -5.459 366 HB3 ALA 56 HB3 ALA 56 3.585 -14.994 -5.442 367 H GLY 57 HN GLY 57 0.493 -13.875 -5.064 368 HA2 GLY 57 HA2 GLY 57 -0.702 -16.018 -5.194 369 HA3 GLY 57 HA1 GLY 57 -0.054 -16.392 -3.602 370 H THR 58 HN THR 58 -0.654 -13.272 -3.281 371 HA THR 58 HA THR 58 -3.170 -13.708 -1.932 372 HB THR 58 HB THR 58 -1.521 -11.192 -2.295 373 HG1 THR 58 HG1 THR 58 -1.723 -12.916 -0.050 374 HG21 THR 58 HG21 THR 58 -3.061 -10.044 -1.208 375 HG22 THR 58 HG22 THR 58 -3.121 -11.250 0.078 376 HG23 THR 58 HG23 THR 58 -4.140 -11.433 -1.351 377 H VAL 59 HN VAL 59 -4.932 -13.833 -3.234 378 HA VAL 59 HA VAL 59 -5.145 -12.539 -5.729 379 HB VAL 59 HB VAL 59 -6.497 -14.519 -5.185 380 HG11 VAL 59 HG11 VAL 59 -8.504 -13.020 -3.653 381 HG12 VAL 59 HG12 VAL 59 -6.991 -13.335 -2.803 382 HG13 VAL 59 HG13 VAL 59 -7.929 -14.677 -3.460 383 HG21 VAL 59 HG21 VAL 59 -7.562 -12.049 -6.302 384 HG22 VAL 59 HG22 VAL 59 -8.816 -13.148 -5.729 385 HG23 VAL 59 HG23 VAL 59 -7.639 -13.699 -6.921 386 H CYS 60 HN CYS 60 -5.416 -10.452 -6.128 387 HA CYS 60 HA CYS 60 -6.750 -8.804 -4.081 388 HB2 CYS 60 HB2 CYS 60 -5.214 -7.463 -6.230 389 HB3 CYS 60 HB1 CYS 60 -5.346 -7.063 -4.523 390 H ARG 61 HN ARG 61 -6.948 -9.959 -7.303 391 HA ARG 61 HA ARG 61 -9.474 -8.586 -7.667 392 HB2 ARG 61 HB2 ARG 61 -7.472 -8.353 -9.894 393 HB3 ARG 61 HB1 ARG 61 -8.960 -7.450 -9.652 394 HG2 ARG 61 HG2 ARG 61 -7.908 -6.350 -7.694 395 HG3 ARG 61 HG1 ARG 61 -6.400 -7.172 -8.097 396 HD2 ARG 61 HD2 ARG 61 -7.899 -5.273 -9.900 397 HD3 ARG 61 HD1 ARG 61 -6.470 -4.867 -8.952 398 HE ARG 61 HE ARG 61 -6.147 -7.082 -10.783 399 HH11 ARG 61 HH11 ARG 61 -5.837 -3.636 -10.305 400 HH12 ARG 61 HH12 ARG 61 -4.685 -3.438 -11.581 401 HH21 ARG 61 HH21 ARG 61 -4.635 -6.819 -12.465 402 HH22 ARG 61 HH22 ARG 61 -4.004 -5.243 -12.808 403 H ILE 62 HN ILE 62 -10.206 -9.175 -10.091 404 HA ILE 62 HA ILE 62 -9.425 -11.595 -11.232 405 HB ILE 62 HB ILE 62 -10.190 -12.744 -9.279 406 HG12 ILE 62 HG12 ILE 62 -12.012 -14.137 -10.180 407 HG13 ILE 62 HG11 ILE 62 -12.331 -12.923 -11.414 408 HG21 ILE 62 HG21 ILE 62 -12.010 -12.234 -8.043 409 HG22 ILE 62 HG22 ILE 62 -12.981 -11.804 -9.454 410 HG23 ILE 62 HG23 ILE 62 -11.799 -10.661 -8.814 411 HD11 ILE 62 HD11 ILE 62 -10.153 -14.912 -11.222 412 HD12 ILE 62 HD12 ILE 62 -9.774 -13.353 -11.954 413 HD13 ILE 62 HD13 ILE 62 -11.064 -14.351 -12.624 414 H ALA 63 HN ALA 63 -10.342 -11.771 -13.180 415 HA ALA 63 HA ALA 63 -11.823 -9.694 -14.251 416 HB1 ALA 63 HB1 ALA 63 -10.811 -12.229 -15.177 417 HB2 ALA 63 HB2 ALA 63 -11.021 -10.710 -16.045 418 HB3 ALA 63 HB3 ALA 63 -12.364 -11.842 -15.919 419 H ARG 64 HN ARG 64 -13.403 -12.781 -14.782 420 HA ARG 64 HA ARG 64 -15.651 -11.970 -13.099 421 HB2 ARG 64 HB2 ARG 64 -15.809 -11.184 -15.607 422 HB3 ARG 64 HB1 ARG 64 -16.268 -12.858 -15.885 423 HG2 ARG 64 HG2 ARG 64 -18.263 -11.601 -15.630 424 HG3 ARG 64 HG1 ARG 64 -18.059 -12.569 -14.168 425 HD2 ARG 64 HD2 ARG 64 -18.490 -10.606 -13.142 426 HD3 ARG 64 HD1 ARG 64 -16.771 -10.331 -13.422 427 HE ARG 64 HE ARG 64 -17.974 -9.383 -15.674 428 HH11 ARG 64 HH11 ARG 64 -18.341 -8.754 -12.261 429 HH12 ARG 64 HH12 ARG 64 -18.832 -7.109 -12.489 430 HH21 ARG 64 HH21 ARG 64 -18.620 -7.219 -15.976 431 HH22 ARG 64 HH22 ARG 64 -18.991 -6.238 -14.598 432 H GLY 65 HN GLY 65 -15.069 -13.782 -11.805 433 HA2 GLY 65 HA2 GLY 65 -16.298 -15.957 -11.520 434 HA3 GLY 65 HA1 GLY 65 -15.627 -16.382 -13.090 435 H ASP 66 HN ASP 66 -13.669 -17.292 -13.198 436 HA ASP 66 HA ASP 66 -11.546 -16.910 -11.469 437 HB2 ASP 66 HB2 ASP 66 -11.620 -19.132 -10.229 438 HB3 ASP 66 HB1 ASP 66 -12.740 -17.894 -9.668 439 H TRP 67 HN TRP 67 -10.431 -17.009 -13.371 440 HA TRP 67 HA TRP 67 -10.137 -19.687 -14.571 441 HB2 TRP 67 HB2 TRP 67 -9.190 -17.750 -16.403 442 HB3 TRP 67 HB1 TRP 67 -10.616 -18.767 -16.561 443 HD1 TRP 67 HD1 TRP 67 -9.725 -15.332 -14.935 444 HE1 TRP 67 HE1 TRP 67 -11.765 -13.807 -15.209 445 HE3 TRP 67 HE3 TRP 67 -12.907 -18.623 -17.194 446 HZ2 TRP 67 HZ2 TRP 67 -14.368 -13.960 -16.245 447 HZ3 TRP 67 HZ3 TRP 67 -15.165 -17.851 -17.805 448 HH2 TRP 67 HH2 TRP 67 -15.880 -15.561 -17.340 449 H ASN 68 HN ASN 68 -8.425 -16.614 -14.648 450 HA ASN 68 HA ASN 68 -5.897 -18.007 -14.121 451 HB2 ASN 68 HB2 ASN 68 -6.058 -15.145 -15.000 452 HB3 ASN 68 HB1 ASN 68 -4.796 -16.334 -15.310 453 HD21 ASN 68 HD21 ASN 68 -8.141 -15.503 -16.092 454 HD22 ASN 68 HD22 ASN 68 -8.129 -16.191 -17.676 455 H ASP 69 HN ASP 69 -8.071 -15.535 -12.994 456 HA ASP 69 HA ASP 69 -8.239 -14.390 -11.046 457 HB2 ASP 69 HB2 ASP 69 -6.541 -16.720 -10.273 458 HB3 ASP 69 HB1 ASP 69 -6.745 -15.403 -9.123 459 H ASP 70 HN ASP 70 -7.293 -12.719 -9.893 460 HA ASP 70 HA ASP 70 -4.726 -11.828 -10.960 461 HB2 ASP 70 HB2 ASP 70 -6.791 -10.332 -10.935 462 HB3 ASP 70 HB1 ASP 70 -6.608 -10.274 -9.186 463 H TYR 71 HN TYR 71 -2.914 -12.087 -9.805 464 HA TYR 71 HA TYR 71 -3.173 -12.242 -6.879 465 HB2 TYR 71 HB2 TYR 71 -1.789 -14.130 -8.741 466 HB3 TYR 71 HB1 TYR 71 -1.269 -13.969 -7.066 467 HD1 TYR 71 HD1 TYR 71 -2.986 -14.326 -5.261 468 HD2 TYR 71 HD2 TYR 71 -3.618 -15.478 -9.291 469 HE1 TYR 71 HE1 TYR 71 -4.738 -15.864 -4.520 470 HE2 TYR 71 HE2 TYR 71 -5.391 -17.016 -8.584 471 HH TYR 71 HH TYR 71 -5.811 -18.029 -5.463 472 H CYS 72 HN CYS 72 -1.568 -11.457 -5.650 473 HA CYS 72 HA CYS 72 0.097 -9.445 -6.751 474 HB2 CYS 72 HB2 CYS 72 -0.889 -9.482 -4.426 475 HB3 CYS 72 HB1 CYS 72 0.317 -10.696 -4.013 476 H THR 73 HN THR 73 2.498 -9.387 -6.412 477 HA THR 73 HA THR 73 3.672 -12.062 -6.802 478 HB THR 73 HB THR 73 5.127 -11.228 -8.464 479 HG1 THR 73 HG1 THR 73 4.319 -8.671 -7.574 480 HG21 THR 73 HG21 THR 73 3.729 -10.728 -10.174 481 HG22 THR 73 HG22 THR 73 2.818 -9.545 -9.236 482 HG23 THR 73 HG23 THR 73 2.537 -11.269 -8.992 483 H GLY 74 HN GLY 74 3.428 -9.954 -4.491 484 HA2 GLY 74 HA2 GLY 74 4.725 -9.197 -2.755 485 HA3 GLY 74 HA1 GLY 74 5.596 -10.702 -2.995 486 H LYS 75 HN LYS 75 5.540 -8.319 -5.528 487 HA LYS 75 HA LYS 75 8.224 -7.410 -4.759 488 HB2 LYS 75 HB2 LYS 75 7.458 -8.339 -7.530 489 HB3 LYS 75 HB1 LYS 75 9.017 -7.677 -7.057 490 HG2 LYS 75 HG2 LYS 75 9.730 -9.634 -6.269 491 HG3 LYS 75 HG1 LYS 75 8.213 -9.948 -5.425 492 HD2 LYS 75 HD2 LYS 75 7.992 -11.589 -6.951 493 HD3 LYS 75 HD1 LYS 75 7.434 -10.280 -7.994 494 HE2 LYS 75 HE2 LYS 75 10.183 -11.499 -7.861 495 HE3 LYS 75 HE1 LYS 75 9.059 -11.512 -9.219 496 HZ1 LYS 75 HZ1 LYS 75 9.316 -9.117 -9.409 497 HZ2 LYS 75 HZ2 LYS 75 10.815 -9.889 -9.542 498 HZ3 LYS 75 HZ3 LYS 75 10.394 -9.104 -8.105 499 H SER 76 HN SER 76 5.170 -6.471 -5.427 500 HA SER 76 HA SER 76 5.940 -3.762 -5.889 501 HB2 SER 76 HB2 SER 76 4.261 -4.950 -8.089 502 HB3 SER 76 HB1 SER 76 5.093 -3.396 -8.058 503 HG SER 76 HG SER 76 6.104 -5.958 -8.538 504 H SER 77 HN SER 77 3.940 -2.359 -6.238 505 HA SER 77 HA SER 77 1.931 -3.209 -4.320 506 HB2 SER 77 HB2 SER 77 1.629 -0.584 -5.634 507 HB3 SER 77 HB1 SER 77 1.586 -1.003 -3.922 508 HG SER 77 HG SER 77 3.738 -0.280 -5.529 509 H ASP 78 HN ASP 78 2.244 -3.907 -7.418 510 HA ASP 78 HA ASP 78 -0.565 -3.385 -8.107 511 HB2 ASP 78 HB2 ASP 78 1.918 -3.683 -9.740 512 HB3 ASP 78 HB1 ASP 78 0.378 -4.151 -10.454 513 H CYS 79 HN CYS 79 -1.892 -5.022 -8.781 514 HA CYS 79 HA CYS 79 -0.904 -7.772 -8.353 515 HB2 CYS 79 HB2 CYS 79 -2.771 -6.567 -6.838 516 HB3 CYS 79 HB1 CYS 79 -3.809 -7.180 -8.121 517 HA PRO 80 HA PRO 80 -2.035 -7.758 -12.775 518 HB2 PRO 80 HB2 PRO 80 -0.713 -10.053 -13.380 519 HB3 PRO 80 HB1 PRO 80 0.087 -8.481 -13.263 520 HG2 PRO 80 HG2 PRO 80 -0.065 -10.685 -11.241 521 HG3 PRO 80 HG1 PRO 80 1.328 -9.693 -11.711 522 HD2 PRO 80 HD2 PRO 80 -0.095 -9.208 -9.468 523 HD3 PRO 80 HD1 PRO 80 0.654 -7.906 -10.414 524 H TRP 81 HN TRP 81 -3.690 -8.729 -13.810 525 HA TRP 81 HA TRP 81 -5.409 -10.504 -12.390 526 HB2 TRP 81 HB2 TRP 81 -5.856 -10.385 -15.280 527 HB3 TRP 81 HB1 TRP 81 -6.954 -10.019 -13.958 528 HD1 TRP 81 HD1 TRP 81 -4.383 -8.353 -16.269 529 HE1 TRP 81 HE1 TRP 81 -4.775 -5.808 -16.191 530 HE3 TRP 81 HE3 TRP 81 -7.808 -8.206 -12.519 531 HZ2 TRP 81 HZ2 TRP 81 -6.352 -3.984 -14.724 532 HZ3 TRP 81 HZ3 TRP 81 -8.733 -6.024 -11.827 533 HH2 TRP 81 HH2 TRP 81 -8.012 -3.953 -12.908 534 H ASN 82 HN ASN 82 -2.679 -11.033 -14.257 535 HA ASN 82 HA ASN 82 -1.641 -12.919 -15.013 536 HB2 ASN 82 HB2 ASN 82 -3.879 -14.249 -13.472 537 HB3 ASN 82 HB1 ASN 82 -2.623 -15.154 -14.309 538 HD21 ASN 82 HD21 ASN 82 -3.496 -13.562 -11.475 539 HD22 ASN 82 HD22 ASN 82 -1.964 -13.610 -10.679 540 H HIS 83 HN HIS 83 -3.791 -11.473 -16.427 541 HA HIS 83 HA HIS 83 -4.939 -13.561 -18.127 542 HB2 HIS 83 HB2 HIS 83 -5.517 -10.591 -17.960 543 HB3 HIS 83 HB1 HIS 83 -6.346 -11.725 -19.027 544 HD1 HIS 83 HD1 HIS 83 -7.731 -10.046 -16.722 545 HD2 HIS 83 HD2 HIS 83 -6.568 -14.025 -16.492 546 HE1 HIS 83 HE1 HIS 83 -9.123 -11.051 -14.885 547 HE2 HIS 83 HE2 HIS 83 -8.483 -13.485 -14.841 Start of MODEL 24 1 H1 SER 1 HT1 SER 1 -1.425 12.960 20.842 2 H2 SER 1 HT2 SER 1 -3.015 12.815 21.471 3 H3 SER 1 HT3 SER 1 -2.129 14.267 21.700 4 HA SER 1 HA SER 1 -2.933 13.190 19.084 5 HB2 SER 1 HB2 SER 1 -4.592 15.121 19.211 6 HB3 SER 1 HB1 SER 1 -4.940 13.741 20.252 7 HG SER 1 HG SER 1 -5.016 15.993 21.165 8 HA PRO 2 HA PRO 2 0.346 16.386 18.565 9 HB2 PRO 2 HB2 PRO 2 1.307 14.754 16.371 10 HB3 PRO 2 HB1 PRO 2 2.120 15.160 17.882 11 HG2 PRO 2 HG2 PRO 2 1.256 12.646 17.266 12 HG3 PRO 2 HG1 PRO 2 1.418 13.250 18.925 13 HD2 PRO 2 HD2 PRO 2 -1.039 12.993 17.230 14 HD3 PRO 2 HD1 PRO 2 -0.821 12.650 18.961 15 HA PRO 3 HA PRO 3 -1.368 18.350 15.002 16 HB2 PRO 3 HB2 PRO 3 1.159 19.342 14.013 17 HB3 PRO 3 HB1 PRO 3 -0.088 20.211 14.907 18 HG2 PRO 3 HG2 PRO 3 2.381 19.622 15.926 19 HG3 PRO 3 HG1 PRO 3 0.933 19.858 16.921 20 HD2 PRO 3 HD2 PRO 3 2.240 17.310 16.045 21 HD3 PRO 3 HD1 PRO 3 1.516 17.726 17.614 22 H VAL 4 HN VAL 4 -2.049 17.638 13.086 23 HA VAL 4 HA VAL 4 -0.987 15.493 11.762 24 HB VAL 4 HB VAL 4 -3.318 16.323 11.643 25 HG11 VAL 4 HG11 VAL 4 -2.496 18.741 11.277 26 HG12 VAL 4 HG12 VAL 4 -3.969 18.203 10.470 27 HG13 VAL 4 HG13 VAL 4 -2.456 18.297 9.572 28 HG21 VAL 4 HG21 VAL 4 -3.611 15.923 9.209 29 HG22 VAL 4 HG22 VAL 4 -2.696 14.690 10.063 30 HG23 VAL 4 HG23 VAL 4 -1.859 15.880 9.064 31 H CYS 5 HN CYS 5 1.199 15.806 11.417 32 HA CYS 5 HA CYS 5 2.257 18.075 10.070 33 HB2 CYS 5 HB2 CYS 5 3.912 15.710 9.710 34 HB3 CYS 5 HB1 CYS 5 4.260 17.187 10.589 35 H GLY 6 HN GLY 6 1.257 18.491 8.180 36 HA2 GLY 6 HA2 GLY 6 1.428 18.289 5.808 37 HA3 GLY 6 HA1 GLY 6 1.706 16.565 6.007 38 H ASN 7 HN ASN 7 -0.781 17.666 8.017 39 HA ASN 7 HA ASN 7 -3.033 17.375 8.050 40 HB2 ASN 7 HB2 ASN 7 -2.480 18.287 5.279 41 HB3 ASN 7 HB1 ASN 7 -4.040 17.504 5.528 42 HD21 ASN 7 HD21 ASN 7 -3.164 20.337 4.999 43 HD22 ASN 7 HD22 ASN 7 -3.969 21.266 6.214 44 H LYS 8 HN LYS 8 -4.584 15.722 7.859 45 HA LYS 8 HA LYS 8 -3.689 13.138 7.562 46 HB2 LYS 8 HB2 LYS 8 -5.749 13.502 8.700 47 HB3 LYS 8 HB1 LYS 8 -6.466 14.288 7.302 48 HG2 LYS 8 HG2 LYS 8 -7.261 11.950 7.797 49 HG3 LYS 8 HG1 LYS 8 -6.709 12.248 6.148 50 HD2 LYS 8 HD2 LYS 8 -5.094 10.713 6.321 51 HD3 LYS 8 HD1 LYS 8 -4.542 11.371 7.863 52 HE2 LYS 8 HE2 LYS 8 -6.991 9.643 7.629 53 HE3 LYS 8 HE1 LYS 8 -5.379 8.969 7.867 54 HZ1 LYS 8 HZ1 LYS 8 -5.247 9.786 9.978 55 HZ2 LYS 8 HZ2 LYS 8 -6.915 9.521 9.888 56 HZ3 LYS 8 HZ3 LYS 8 -6.295 11.081 9.682 57 H ILE 9 HN ILE 9 -2.676 12.407 5.799 58 HA ILE 9 HA ILE 9 -2.932 13.309 3.212 59 HB ILE 9 HB ILE 9 -2.142 11.174 2.353 60 HG12 ILE 9 HG12 ILE 9 -3.443 10.072 4.570 61 HG13 ILE 9 HG11 ILE 9 -2.484 9.221 3.364 62 HG21 ILE 9 HG21 ILE 9 -0.575 12.775 3.290 63 HG22 ILE 9 HG22 ILE 9 -0.024 11.117 3.526 64 HG23 ILE 9 HG23 ILE 9 -0.738 12.008 4.867 65 HD11 ILE 9 HD11 ILE 9 -1.254 10.458 5.792 66 HD12 ILE 9 HD12 ILE 9 -0.580 9.240 4.715 67 HD13 ILE 9 HD13 ILE 9 -1.912 8.825 5.793 68 H LEU 10 HN LEU 10 -4.425 13.326 1.730 69 HA LEU 10 HA LEU 10 -6.814 11.717 2.133 70 HB2 LEU 10 HB2 LEU 10 -7.766 13.193 0.330 71 HB3 LEU 10 HB1 LEU 10 -7.314 14.004 1.817 72 HG LEU 10 HG LEU 10 -6.752 15.095 -0.468 73 HD11 LEU 10 HD11 LEU 10 -4.306 15.206 1.094 74 HD12 LEU 10 HD12 LEU 10 -5.763 15.364 2.075 75 HD13 LEU 10 HD13 LEU 10 -5.481 16.469 0.730 76 HD21 LEU 10 HD21 LEU 10 -5.643 13.113 -1.421 77 HD22 LEU 10 HD22 LEU 10 -4.382 13.257 -0.198 78 HD23 LEU 10 HD23 LEU 10 -4.599 14.534 -1.394 79 H GLU 11 HN GLU 11 -4.060 11.048 0.871 80 HA GLU 11 HA GLU 11 -4.869 8.967 -0.786 81 HB2 GLU 11 HB2 GLU 11 -4.379 9.762 -3.005 82 HB3 GLU 11 HB1 GLU 11 -5.571 10.836 -2.286 83 HG2 GLU 11 HG2 GLU 11 -3.412 12.184 -1.587 84 HG3 GLU 11 HG1 GLU 11 -2.732 11.338 -2.977 85 H GLN 12 HN GLN 12 -2.834 9.627 1.238 86 HA GLN 12 HA GLN 12 -0.600 8.394 -0.095 87 HB2 GLN 12 HB2 GLN 12 0.823 10.412 1.077 88 HB3 GLN 12 HB1 GLN 12 0.428 10.318 -0.628 89 HG2 GLN 12 HG2 GLN 12 -1.787 11.544 0.469 90 HG3 GLN 12 HG1 GLN 12 -0.439 12.213 1.385 91 HE21 GLN 12 HE21 GLN 12 -2.169 13.548 -0.498 92 HE22 GLN 12 HE22 GLN 12 -1.155 14.155 -1.758 93 H GLY 13 HN GLY 13 -1.906 7.128 1.757 94 HA2 GLY 13 HA2 GLY 13 -1.607 7.422 4.429 95 HA3 GLY 13 HA1 GLY 13 -1.456 5.867 3.640 96 H GLU 14 HN GLU 14 0.957 6.624 2.198 97 HA GLU 14 HA GLU 14 2.978 7.240 4.172 98 HB2 GLU 14 HB2 GLU 14 3.773 4.754 2.931 99 HB3 GLU 14 HB1 GLU 14 3.724 5.171 4.634 100 HG2 GLU 14 HG2 GLU 14 1.219 4.396 3.202 101 HG3 GLU 14 HG1 GLU 14 2.349 3.167 3.764 102 H ASP 15 HN ASP 15 1.800 7.891 1.443 103 HA ASP 15 HA ASP 15 4.078 7.573 -0.303 104 HB2 ASP 15 HB2 ASP 15 2.062 7.338 -1.466 105 HB3 ASP 15 HB1 ASP 15 1.278 8.627 -0.562 106 H CYS 16 HN CYS 16 2.571 9.948 1.760 107 HA CYS 16 HA CYS 16 4.680 11.531 2.256 108 HB2 CYS 16 HB2 CYS 16 5.141 12.005 0.005 109 HB3 CYS 16 HB1 CYS 16 3.446 12.268 -0.375 110 H ASP 17 HN ASP 17 4.189 13.631 3.151 111 HA ASP 17 HA ASP 17 2.995 14.935 4.574 112 HB2 ASP 17 HB2 ASP 17 1.183 14.648 2.196 113 HB3 ASP 17 HB1 ASP 17 0.682 15.595 3.593 114 H CYS 18 HN CYS 18 2.891 12.148 5.149 115 HA CYS 18 HA CYS 18 0.661 10.801 5.606 116 HB2 CYS 18 HB2 CYS 18 2.752 11.365 7.706 117 HB3 CYS 18 HB1 CYS 18 1.528 10.119 7.855 118 H GLY 19 HN GLY 19 1.444 13.787 7.321 119 HA2 GLY 19 HA2 GLY 19 0.130 15.153 8.642 120 HA3 GLY 19 HA1 GLY 19 -1.231 14.445 7.799 121 H SER 20 HN SER 20 -1.759 12.123 8.580 122 HA SER 20 HA SER 20 -2.649 12.283 11.160 123 HB2 SER 20 HB2 SER 20 -3.160 9.962 11.053 124 HB3 SER 20 HB1 SER 20 -3.373 10.622 9.433 125 HG SER 20 HG SER 20 -1.548 8.776 10.366 126 HA PRO 21 HA PRO 21 1.353 12.357 13.178 127 HB2 PRO 21 HB2 PRO 21 0.041 12.314 15.689 128 HB3 PRO 21 HB1 PRO 21 0.664 13.728 14.838 129 HG2 PRO 21 HG2 PRO 21 -2.106 12.673 14.973 130 HG3 PRO 21 HG1 PRO 21 -1.542 14.342 14.785 131 HD2 PRO 21 HD2 PRO 21 -2.592 12.954 12.732 132 HD3 PRO 21 HD1 PRO 21 -1.289 14.127 12.499 133 H ALA 22 HN ALA 22 -1.272 10.095 13.619 134 HA ALA 22 HA ALA 22 -0.147 8.295 15.405 135 HB1 ALA 22 HB1 ALA 22 -2.140 8.121 13.229 136 HB2 ALA 22 HB2 ALA 22 -2.256 7.624 14.918 137 HB3 ALA 22 HB3 ALA 22 -1.417 6.600 13.753 138 H ASN 23 HN ASN 23 0.737 9.068 12.166 139 HA ASN 23 HA ASN 23 2.658 6.843 12.121 140 HB2 ASN 23 HB2 ASN 23 1.623 8.376 9.730 141 HB3 ASN 23 HB1 ASN 23 2.583 6.897 9.724 142 HD21 ASN 23 HD21 ASN 23 0.544 6.584 8.260 143 HD22 ASN 23 HD22 ASN 23 -0.761 5.752 9.028 144 H CYS 24 HN CYS 24 2.266 10.286 12.086 145 HA CYS 24 HA CYS 24 4.583 11.140 10.829 146 HB2 CYS 24 HB2 CYS 24 2.684 12.557 11.826 147 HB3 CYS 24 HB1 CYS 24 3.560 12.445 13.348 148 H GLN 25 HN GLN 25 6.480 10.168 11.141 149 HA GLN 25 HA GLN 25 8.466 9.665 12.137 150 HB2 GLN 25 HB2 GLN 25 7.435 10.878 14.696 151 HB3 GLN 25 HB1 GLN 25 9.105 10.700 14.175 152 HG2 GLN 25 HG2 GLN 25 8.946 12.452 12.652 153 HG3 GLN 25 HG1 GLN 25 7.183 12.402 12.635 154 HE21 GLN 25 HE21 GLN 25 9.511 14.355 13.430 155 HE22 GLN 25 HE22 GLN 25 8.895 15.085 14.870 156 H ASP 26 HN ASP 26 6.260 7.858 12.097 157 HA ASP 26 HA ASP 26 7.240 5.857 13.840 158 HB2 ASP 26 HB2 ASP 26 5.588 7.536 15.187 159 HB3 ASP 26 HB1 ASP 26 4.423 6.364 14.579 160 H ARG 27 HN ARG 27 5.152 4.131 14.015 161 HA ARG 27 HA ARG 27 4.060 2.538 12.829 162 HB2 ARG 27 HB2 ARG 27 2.383 4.246 12.547 163 HB3 ARG 27 HB1 ARG 27 3.267 4.957 11.205 164 HG2 ARG 27 HG2 ARG 27 2.458 3.478 9.723 165 HG3 ARG 27 HG1 ARG 27 2.566 2.128 10.854 166 HD2 ARG 27 HD2 ARG 27 0.541 4.125 11.554 167 HD3 ARG 27 HD1 ARG 27 0.248 3.310 10.018 168 HE ARG 27 HE ARG 27 0.804 1.268 11.699 169 HH11 ARG 27 HH11 ARG 27 -1.429 3.945 11.862 170 HH12 ARG 27 HH12 ARG 27 -2.591 3.081 12.811 171 HH21 ARG 27 HH21 ARG 27 -0.724 0.129 12.947 172 HH22 ARG 27 HH22 ARG 27 -2.190 0.915 13.428 173 H CYS 28 HN CYS 28 4.324 4.177 9.782 174 HA CYS 28 HA CYS 28 6.800 2.942 9.027 175 HB2 CYS 28 HB2 CYS 28 5.941 1.432 7.358 176 HB3 CYS 28 HB1 CYS 28 5.194 1.037 8.901 177 H CYS 29 HN CYS 29 5.526 5.577 9.079 178 HA CYS 29 HA CYS 29 6.330 6.424 6.456 179 HB2 CYS 29 HB2 CYS 29 4.350 7.025 5.513 180 HB3 CYS 29 HB1 CYS 29 3.761 5.694 6.496 181 H ASN 30 HN ASN 30 6.520 8.686 6.234 182 HA ASN 30 HA ASN 30 6.753 10.045 8.836 183 HB2 ASN 30 HB2 ASN 30 8.650 9.557 6.839 184 HB3 ASN 30 HB1 ASN 30 8.266 11.271 6.732 185 HD21 ASN 30 HD21 ASN 30 10.434 9.329 7.918 186 HD22 ASN 30 HD22 ASN 30 10.851 10.124 9.396 187 H ALA 31 HN ALA 31 5.345 11.529 9.186 188 HA ALA 31 HA ALA 31 3.941 12.880 7.048 189 HB1 ALA 31 HB1 ALA 31 3.530 12.422 9.867 190 HB2 ALA 31 HB2 ALA 31 2.371 12.916 8.645 191 HB3 ALA 31 HB3 ALA 31 3.331 14.126 9.482 192 H ALA 32 HN ALA 32 6.881 13.149 8.546 193 HA ALA 32 HA ALA 32 6.991 16.078 8.365 194 HB1 ALA 32 HB1 ALA 32 7.722 15.152 10.469 195 HB2 ALA 32 HB2 ALA 32 9.095 15.870 9.624 196 HB3 ALA 32 HB3 ALA 32 8.888 14.117 9.642 197 H THR 33 HN THR 33 8.581 13.155 7.115 198 HA THR 33 HA THR 33 10.314 14.788 5.432 199 HB THR 33 HB THR 33 11.071 12.440 4.636 200 HG1 THR 33 HG1 THR 33 9.795 10.983 5.436 201 HG21 THR 33 HG21 THR 33 12.272 13.984 6.276 202 HG22 THR 33 HG22 THR 33 12.674 12.267 6.316 203 HG23 THR 33 HG23 THR 33 11.596 12.950 7.535 204 H CYS 34 HN CYS 34 7.228 13.706 5.231 205 HA CYS 34 HA CYS 34 5.731 13.612 3.560 206 HB2 CYS 34 HB2 CYS 34 6.440 15.581 2.588 207 HB3 CYS 34 HB1 CYS 34 8.034 14.955 2.212 208 H LYS 35 HN LYS 35 7.168 11.198 4.226 209 HA LYS 35 HA LYS 35 6.325 9.647 2.032 210 HB2 LYS 35 HB2 LYS 35 9.039 10.603 1.872 211 HB3 LYS 35 HB1 LYS 35 8.985 8.847 1.930 212 HG2 LYS 35 HG2 LYS 35 8.515 8.826 -0.226 213 HG3 LYS 35 HG1 LYS 35 6.980 9.616 0.134 214 HD2 LYS 35 HD2 LYS 35 7.746 11.258 -1.190 215 HD3 LYS 35 HD1 LYS 35 8.720 11.717 0.208 216 HE2 LYS 35 HE2 LYS 35 10.292 9.813 -0.882 217 HE3 LYS 35 HE1 LYS 35 9.518 10.452 -2.331 218 HZ1 LYS 35 HZ1 LYS 35 11.219 11.875 -0.379 219 HZ2 LYS 35 HZ2 LYS 35 10.184 12.716 -1.419 220 HZ3 LYS 35 HZ3 LYS 35 11.415 11.747 -2.055 221 H LEU 36 HN LEU 36 6.745 7.391 2.224 222 HA LEU 36 HA LEU 36 6.278 6.361 4.745 223 HB2 LEU 36 HB2 LEU 36 6.947 4.162 3.785 224 HB3 LEU 36 HB1 LEU 36 5.785 5.047 2.816 225 HG LEU 36 HG LEU 36 8.628 5.441 2.099 226 HD11 LEU 36 HD11 LEU 36 8.607 3.326 0.768 227 HD12 LEU 36 HD12 LEU 36 7.194 2.824 1.696 228 HD13 LEU 36 HD13 LEU 36 8.734 3.095 2.511 229 HD21 LEU 36 HD21 LEU 36 5.965 5.394 0.811 230 HD22 LEU 36 HD22 LEU 36 7.337 4.888 -0.175 231 HD23 LEU 36 HD23 LEU 36 7.327 6.488 0.567 232 H THR 37 HN THR 37 7.673 4.874 6.035 233 HA THR 37 HA THR 37 10.404 5.958 6.187 234 HB THR 37 HB THR 37 10.297 4.926 8.546 235 HG1 THR 37 HG1 THR 37 8.297 3.769 7.993 236 HG21 THR 37 HG21 THR 37 8.889 7.358 7.622 237 HG22 THR 37 HG22 THR 37 10.263 7.183 8.714 238 HG23 THR 37 HG23 THR 37 8.632 6.829 9.284 239 HA PRO 38 HA PRO 38 12.672 2.298 5.296 240 HB2 PRO 38 HB2 PRO 38 13.350 2.190 8.214 241 HB3 PRO 38 HB1 PRO 38 14.409 2.000 6.810 242 HG2 PRO 38 HG2 PRO 38 14.351 4.295 8.149 243 HG3 PRO 38 HG1 PRO 38 14.466 4.282 6.379 244 HD2 PRO 38 HD2 PRO 38 12.163 4.974 8.120 245 HD3 PRO 38 HD1 PRO 38 12.571 5.565 6.498 246 H GLY 39 HN GLY 39 12.218 0.158 5.159 247 HA2 GLY 39 HA2 GLY 39 11.509 -1.944 6.012 248 HA3 GLY 39 HA1 GLY 39 10.643 -1.102 7.290 249 H SER 40 HN SER 40 9.476 0.815 5.367 250 HA SER 40 HA SER 40 7.158 -0.739 4.679 251 HB2 SER 40 HB2 SER 40 7.355 1.778 5.465 252 HB3 SER 40 HB1 SER 40 7.527 2.077 3.736 253 HG SER 40 HG SER 40 5.396 2.107 3.956 254 H GLN 41 HN GLN 41 7.198 -2.009 2.942 255 HA GLN 41 HA GLN 41 8.915 -1.549 0.712 256 HB2 GLN 41 HB2 GLN 41 6.875 -3.576 1.466 257 HB3 GLN 41 HB1 GLN 41 7.259 -3.419 -0.242 258 HG2 GLN 41 HG2 GLN 41 9.570 -3.577 1.570 259 HG3 GLN 41 HG1 GLN 41 8.574 -5.029 1.465 260 HE21 GLN 41 HE21 GLN 41 9.323 -2.619 -1.007 261 HE22 GLN 41 HE22 GLN 41 10.096 -3.716 -2.096 262 H CYS 42 HN CYS 42 5.625 -0.727 1.473 263 HA CYS 42 HA CYS 42 5.463 0.921 -0.889 264 HB2 CYS 42 HB2 CYS 42 4.713 -1.253 -1.756 265 HB3 CYS 42 HB1 CYS 42 3.486 -1.331 -0.496 266 H ASN 43 HN ASN 43 4.049 2.595 -0.682 267 HA ASN 43 HA ASN 43 3.101 3.154 1.966 268 HB2 ASN 43 HB2 ASN 43 2.238 5.268 0.880 269 HB3 ASN 43 HB1 ASN 43 3.972 5.001 0.726 270 HD21 ASN 43 HD21 ASN 43 4.757 5.390 -1.201 271 HD22 ASN 43 HD22 ASN 43 3.908 5.259 -2.700 272 H TYR 44 HN TYR 44 1.678 2.291 -1.122 273 HA TYR 44 HA TYR 44 -0.591 1.095 0.003 274 HB2 TYR 44 HB2 TYR 44 -2.349 2.636 -0.451 275 HB3 TYR 44 HB1 TYR 44 -1.131 3.530 0.450 276 HD1 TYR 44 HD2 TYR 44 -2.217 2.828 -3.053 277 HD2 TYR 44 HD1 TYR 44 -0.395 5.577 -0.361 278 HE1 TYR 44 HE2 TYR 44 -2.154 4.517 -4.832 279 HE2 TYR 44 HE1 TYR 44 -0.327 7.277 -2.133 280 HH TYR 44 HH TYR 44 -2.018 7.457 -4.578 281 H GLY 45 HN GLY 45 -2.203 0.466 -1.683 282 HA2 GLY 45 HA2 GLY 45 -2.372 0.710 -4.273 283 HA3 GLY 45 HA1 GLY 45 -0.772 -0.012 -4.199 284 H GLU 46 HN GLU 46 -2.162 -1.511 -5.640 285 HA GLU 46 HA GLU 46 -4.083 -3.226 -4.574 286 HB2 GLU 46 HB2 GLU 46 -2.090 -3.514 -6.805 287 HB3 GLU 46 HB1 GLU 46 -3.175 -4.831 -6.383 288 HG2 GLU 46 HG2 GLU 46 -3.992 -3.441 -8.248 289 HG3 GLU 46 HG1 GLU 46 -5.098 -3.497 -6.877 290 H CYS 47 HN CYS 47 -0.565 -3.545 -4.689 291 HA CYS 47 HA CYS 47 -0.744 -5.917 -2.957 292 HB2 CYS 47 HB2 CYS 47 1.260 -4.952 -4.953 293 HB3 CYS 47 HB1 CYS 47 1.797 -5.990 -3.641 294 H CYS 48 HN CYS 48 -1.115 -3.305 -1.823 295 HA CYS 48 HA CYS 48 1.303 -3.198 -0.150 296 HB2 CYS 48 HB2 CYS 48 -0.304 -0.750 -0.849 297 HB3 CYS 48 HB1 CYS 48 1.298 -0.832 -0.123 298 H ASP 49 HN ASP 49 0.598 -4.171 1.637 299 HA ASP 49 HA ASP 49 -1.574 -2.876 3.101 300 HB2 ASP 49 HB2 ASP 49 -2.153 -5.150 1.794 301 HB3 ASP 49 HB1 ASP 49 -1.490 -5.841 3.272 302 H GLN 50 HN GLN 50 -1.080 -2.550 5.169 303 HA GLN 50 HA GLN 50 0.010 -2.598 7.166 304 HB2 GLN 50 HB2 GLN 50 -0.475 -5.187 6.661 305 HB3 GLN 50 HB1 GLN 50 1.283 -5.230 6.649 306 HG2 GLN 50 HG2 GLN 50 1.451 -4.687 8.873 307 HG3 GLN 50 HG1 GLN 50 -0.124 -3.895 8.909 308 HE21 GLN 50 HE21 GLN 50 -1.998 -5.174 9.031 309 HE22 GLN 50 HE22 GLN 50 -1.941 -6.802 9.607 310 H CYS 51 HN CYS 51 1.308 -1.605 4.738 311 HA CYS 51 HA CYS 51 3.297 -0.672 4.154 312 HB2 CYS 51 HB2 CYS 51 4.591 -1.628 6.680 313 HB3 CYS 51 HB1 CYS 51 4.819 -0.112 5.816 314 H ARG 52 HN ARG 52 2.679 -3.525 3.635 315 HA ARG 52 HA ARG 52 5.346 -4.292 2.769 316 HB2 ARG 52 HB2 ARG 52 3.691 -5.890 4.699 317 HB3 ARG 52 HB1 ARG 52 4.805 -6.694 3.601 318 HG2 ARG 52 HG2 ARG 52 5.506 -4.624 5.672 319 HG3 ARG 52 HG1 ARG 52 5.860 -6.352 5.738 320 HD2 ARG 52 HD2 ARG 52 7.006 -5.771 3.394 321 HD3 ARG 52 HD1 ARG 52 7.160 -4.198 4.175 322 HE ARG 52 HE ARG 52 8.681 -6.521 4.735 323 HH11 ARG 52 HH11 ARG 52 7.208 -3.762 6.285 324 HH12 ARG 52 HH12 ARG 52 8.335 -3.742 7.599 325 HH21 ARG 52 HH21 ARG 52 10.164 -6.496 6.464 326 HH22 ARG 52 HH22 ARG 52 10.013 -5.293 7.701 327 H PHE 53 HN PHE 53 5.326 -5.911 1.083 328 HA PHE 53 HA PHE 53 3.148 -5.602 -0.688 329 HB2 PHE 53 HB2 PHE 53 5.558 -7.404 -0.721 330 HB3 PHE 53 HB1 PHE 53 4.314 -7.513 -1.965 331 HD1 PHE 53 HD2 PHE 53 3.762 -4.445 -1.908 332 HD2 PHE 53 HD1 PHE 53 7.289 -6.791 -2.276 333 HE1 PHE 53 HE2 PHE 53 4.820 -2.633 -3.154 334 HE2 PHE 53 HE1 PHE 53 8.367 -4.969 -3.529 335 HZ PHE 53 HZ PHE 53 7.133 -2.882 -3.973 336 H LYS 54 HN LYS 54 1.404 -6.799 -1.102 337 HA LYS 54 HA LYS 54 0.425 -8.582 0.831 338 HB2 LYS 54 HB2 LYS 54 -0.391 -8.013 -2.012 339 HB3 LYS 54 HB1 LYS 54 -1.237 -9.201 -1.030 340 HG2 LYS 54 HG2 LYS 54 -0.851 -6.374 -0.108 341 HG3 LYS 54 HG1 LYS 54 -2.205 -6.850 -1.135 342 HD2 LYS 54 HD2 LYS 54 -2.343 -8.753 0.781 343 HD3 LYS 54 HD1 LYS 54 -1.698 -7.401 1.715 344 HE2 LYS 54 HE2 LYS 54 -3.572 -6.016 0.671 345 HE3 LYS 54 HE1 LYS 54 -4.274 -7.557 0.177 346 HZ1 LYS 54 HZ1 LYS 54 -4.849 -8.072 2.282 347 HZ2 LYS 54 HZ2 LYS 54 -4.824 -6.393 2.488 348 HZ3 LYS 54 HZ3 LYS 54 -3.497 -7.323 2.972 349 H LYS 55 HN LYS 55 1.675 -10.330 1.281 350 HA LYS 55 HA LYS 55 3.343 -11.872 -0.035 351 HB2 LYS 55 HB2 LYS 55 2.498 -12.391 2.225 352 HB3 LYS 55 HB1 LYS 55 1.029 -13.045 1.515 353 HG2 LYS 55 HG2 LYS 55 2.186 -14.972 1.816 354 HG3 LYS 55 HG1 LYS 55 2.759 -14.549 0.202 355 HD2 LYS 55 HD2 LYS 55 4.564 -13.219 1.669 356 HD3 LYS 55 HD1 LYS 55 4.184 -14.522 2.796 357 HE2 LYS 55 HE2 LYS 55 5.249 -14.744 -0.009 358 HE3 LYS 55 HE1 LYS 55 6.019 -15.263 1.490 359 HZ1 LYS 55 HZ1 LYS 55 3.827 -16.526 -0.005 360 HZ2 LYS 55 HZ2 LYS 55 3.924 -16.762 1.667 361 HZ3 LYS 55 HZ3 LYS 55 5.210 -17.229 0.672 362 H ALA 56 HN ALA 56 3.503 -13.023 -1.845 363 HA ALA 56 HA ALA 56 1.769 -13.027 -3.908 364 HB1 ALA 56 HB1 ALA 56 2.823 -15.357 -4.478 365 HB2 ALA 56 HB2 ALA 56 3.867 -14.980 -3.105 366 HB3 ALA 56 HB3 ALA 56 3.808 -13.893 -4.493 367 H GLY 57 HN GLY 57 -0.151 -13.858 -4.368 368 HA2 GLY 57 HA2 GLY 57 -1.564 -15.888 -4.393 369 HA3 GLY 57 HA1 GLY 57 -1.096 -16.128 -2.714 370 H THR 58 HN THR 58 -1.333 -12.960 -2.748 371 HA THR 58 HA THR 58 -3.993 -12.951 -1.634 372 HB THR 58 HB THR 58 -2.008 -10.706 -2.086 373 HG1 THR 58 HG1 THR 58 -1.100 -11.696 -0.468 374 HG21 THR 58 HG21 THR 58 -4.691 -10.429 -1.534 375 HG22 THR 58 HG22 THR 58 -3.423 -9.235 -1.236 376 HG23 THR 58 HG23 THR 58 -3.920 -10.336 0.051 377 H VAL 59 HN VAL 59 -5.637 -13.044 -3.081 378 HA VAL 59 HA VAL 59 -5.496 -12.071 -5.719 379 HB VAL 59 HB VAL 59 -7.127 -13.787 -5.059 380 HG11 VAL 59 HG11 VAL 59 -8.695 -13.543 -3.469 381 HG12 VAL 59 HG12 VAL 59 -9.037 -11.872 -3.917 382 HG13 VAL 59 HG13 VAL 59 -7.646 -12.245 -2.899 383 HG21 VAL 59 HG21 VAL 59 -8.032 -13.088 -6.976 384 HG22 VAL 59 HG22 VAL 59 -7.770 -11.391 -6.578 385 HG23 VAL 59 HG23 VAL 59 -9.202 -12.226 -5.977 386 H CYS 60 HN CYS 60 -5.450 -10.028 -6.386 387 HA CYS 60 HA CYS 60 -6.699 -7.976 -4.687 388 HB2 CYS 60 HB2 CYS 60 -4.765 -7.395 -6.910 389 HB3 CYS 60 HB1 CYS 60 -5.190 -6.383 -5.536 390 H ARG 61 HN ARG 61 -6.864 -9.530 -7.740 391 HA ARG 61 HA ARG 61 -9.192 -7.955 -8.463 392 HB2 ARG 61 HB2 ARG 61 -6.609 -7.882 -9.954 393 HB3 ARG 61 HB1 ARG 61 -8.102 -7.848 -10.876 394 HG2 ARG 61 HG2 ARG 61 -8.420 -5.703 -10.426 395 HG3 ARG 61 HG1 ARG 61 -8.184 -5.961 -8.697 396 HD2 ARG 61 HD2 ARG 61 -6.560 -4.378 -9.812 397 HD3 ARG 61 HD1 ARG 61 -5.844 -5.688 -8.876 398 HE ARG 61 HE ARG 61 -5.913 -6.701 -11.382 399 HH11 ARG 61 HH11 ARG 61 -4.716 -3.694 -10.073 400 HH12 ARG 61 HH12 ARG 61 -3.445 -3.548 -11.240 401 HH21 ARG 61 HH21 ARG 61 -4.237 -6.513 -12.911 402 HH22 ARG 61 HH22 ARG 61 -3.174 -5.147 -12.852 403 H ILE 62 HN ILE 62 -9.847 -8.772 -10.827 404 HA ILE 62 HA ILE 62 -9.282 -11.380 -11.631 405 HB ILE 62 HB ILE 62 -10.311 -12.196 -9.629 406 HG12 ILE 62 HG12 ILE 62 -12.216 -13.478 -10.524 407 HG13 ILE 62 HG11 ILE 62 -12.297 -12.393 -11.907 408 HG21 ILE 62 HG21 ILE 62 -11.657 -9.929 -9.466 409 HG22 ILE 62 HG22 ILE 62 -12.202 -11.393 -8.647 410 HG23 ILE 62 HG23 ILE 62 -12.928 -10.918 -10.186 411 HD11 ILE 62 HD11 ILE 62 -11.164 -14.197 -12.761 412 HD12 ILE 62 HD12 ILE 62 -10.284 -14.491 -11.261 413 HD13 ILE 62 HD13 ILE 62 -9.840 -13.131 -12.292 414 H ALA 63 HN ALA 63 -10.073 -11.651 -13.627 415 HA ALA 63 HA ALA 63 -11.263 -9.527 -14.965 416 HB1 ALA 63 HB1 ALA 63 -10.459 -10.712 -16.645 417 HB2 ALA 63 HB2 ALA 63 -11.844 -11.790 -16.496 418 HB3 ALA 63 HB3 ALA 63 -10.345 -12.155 -15.641 419 H ARG 64 HN ARG 64 -13.041 -12.522 -15.385 420 HA ARG 64 HA ARG 64 -15.343 -11.403 -13.978 421 HB2 ARG 64 HB2 ARG 64 -15.180 -10.915 -16.606 422 HB3 ARG 64 HB1 ARG 64 -15.907 -12.514 -16.675 423 HG2 ARG 64 HG2 ARG 64 -17.670 -10.936 -16.725 424 HG3 ARG 64 HG1 ARG 64 -17.683 -11.676 -15.123 425 HD2 ARG 64 HD2 ARG 64 -17.889 -9.473 -14.545 426 HD3 ARG 64 HD1 ARG 64 -16.133 -9.631 -14.534 427 HE ARG 64 HE ARG 64 -17.111 -8.830 -17.088 428 HH11 ARG 64 HH11 ARG 64 -16.356 -7.651 -13.891 429 HH12 ARG 64 HH12 ARG 64 -16.053 -6.032 -14.424 430 HH21 ARG 64 HH21 ARG 64 -16.712 -6.700 -17.790 431 HH22 ARG 64 HH22 ARG 64 -16.256 -5.491 -16.637 432 H GLY 65 HN GLY 65 -15.018 -13.136 -12.494 433 HA2 GLY 65 HA2 GLY 65 -16.444 -15.177 -12.147 434 HA3 GLY 65 HA1 GLY 65 -15.684 -15.787 -13.610 435 H ASP 66 HN ASP 66 -13.818 -16.862 -13.465 436 HA ASP 66 HA ASP 66 -11.823 -16.501 -11.575 437 HB2 ASP 66 HB2 ASP 66 -12.183 -18.585 -10.183 438 HB3 ASP 66 HB1 ASP 66 -13.284 -17.253 -9.847 439 H TRP 67 HN TRP 67 -10.569 -16.822 -13.367 440 HA TRP 67 HA TRP 67 -10.381 -19.600 -14.340 441 HB2 TRP 67 HB2 TRP 67 -9.141 -17.911 -16.227 442 HB3 TRP 67 HB1 TRP 67 -10.648 -18.797 -16.419 443 HD1 TRP 67 HD1 TRP 67 -9.555 -15.343 -14.952 444 HE1 TRP 67 HE1 TRP 67 -11.397 -13.657 -15.514 445 HE3 TRP 67 HE3 TRP 67 -12.837 -18.475 -17.296 446 HZ2 TRP 67 HZ2 TRP 67 -13.899 -13.637 -16.790 447 HZ3 TRP 67 HZ3 TRP 67 -14.941 -17.537 -18.171 448 HH2 TRP 67 HH2 TRP 67 -15.459 -15.163 -17.922 449 H ASN 68 HN ASN 68 -8.438 -16.670 -14.486 450 HA ASN 68 HA ASN 68 -6.085 -18.187 -13.607 451 HB2 ASN 68 HB2 ASN 68 -5.930 -15.424 -14.764 452 HB3 ASN 68 HB1 ASN 68 -4.749 -16.729 -14.838 453 HD21 ASN 68 HD21 ASN 68 -7.939 -15.748 -16.007 454 HD22 ASN 68 HD22 ASN 68 -7.840 -16.585 -17.515 455 H ASP 69 HN ASP 69 -8.106 -15.414 -12.983 456 HA ASP 69 HA ASP 69 -8.351 -14.046 -11.190 457 HB2 ASP 69 HB2 ASP 69 -7.040 -16.447 -9.999 458 HB3 ASP 69 HB1 ASP 69 -7.212 -14.999 -9.013 459 H ASP 70 HN ASP 70 -7.343 -12.371 -10.094 460 HA ASP 70 HA ASP 70 -4.605 -11.871 -10.943 461 HB2 ASP 70 HB2 ASP 70 -6.460 -10.143 -11.189 462 HB3 ASP 70 HB1 ASP 70 -6.424 -9.994 -9.438 463 H TYR 71 HN TYR 71 -2.926 -12.208 -9.626 464 HA TYR 71 HA TYR 71 -3.429 -12.129 -6.734 465 HB2 TYR 71 HB2 TYR 71 -2.215 -14.330 -8.344 466 HB3 TYR 71 HB1 TYR 71 -1.738 -14.094 -6.663 467 HD1 TYR 71 HD1 TYR 71 -3.547 -14.039 -4.925 468 HD2 TYR 71 HD2 TYR 71 -4.197 -15.451 -8.865 469 HE1 TYR 71 HE1 TYR 71 -5.540 -15.222 -4.142 470 HE2 TYR 71 HE2 TYR 71 -6.208 -16.638 -8.122 471 HH TYR 71 HH TYR 71 -7.897 -16.350 -6.129 472 H CYS 72 HN CYS 72 -1.827 -11.493 -5.424 473 HA CYS 72 HA CYS 72 0.158 -9.785 -6.515 474 HB2 CYS 72 HB2 CYS 72 -1.017 -9.659 -4.219 475 HB3 CYS 72 HB1 CYS 72 0.187 -10.834 -3.698 476 H THR 73 HN THR 73 2.491 -9.980 -5.970 477 HA THR 73 HA THR 73 3.376 -12.786 -6.093 478 HB THR 73 HB THR 73 4.938 -12.301 -7.753 479 HG1 THR 73 HG1 THR 73 5.595 -10.190 -8.248 480 HG21 THR 73 HG21 THR 73 3.751 -11.566 -9.544 481 HG22 THR 73 HG22 THR 73 3.048 -10.208 -8.665 482 HG23 THR 73 HG23 THR 73 2.427 -11.839 -8.411 483 H GLY 74 HN GLY 74 3.234 -10.354 -4.041 484 HA2 GLY 74 HA2 GLY 74 4.470 -9.621 -2.254 485 HA3 GLY 74 HA1 GLY 74 5.176 -11.229 -2.288 486 H LYS 75 HN LYS 75 5.567 -9.139 -5.031 487 HA LYS 75 HA LYS 75 8.266 -8.409 -4.143 488 HB2 LYS 75 HB2 LYS 75 7.645 -9.589 -6.854 489 HB3 LYS 75 HB1 LYS 75 9.222 -9.060 -6.285 490 HG2 LYS 75 HG2 LYS 75 9.608 -10.991 -5.250 491 HG3 LYS 75 HG1 LYS 75 8.004 -11.016 -4.516 492 HD2 LYS 75 HD2 LYS 75 7.688 -12.789 -5.869 493 HD3 LYS 75 HD1 LYS 75 7.379 -11.553 -7.090 494 HE2 LYS 75 HE2 LYS 75 10.078 -12.787 -6.559 495 HE3 LYS 75 HE1 LYS 75 8.967 -13.331 -7.816 496 HZ1 LYS 75 HZ1 LYS 75 10.503 -10.830 -7.653 497 HZ2 LYS 75 HZ2 LYS 75 9.052 -10.853 -8.521 498 HZ3 LYS 75 HZ3 LYS 75 10.314 -11.890 -8.959 499 H SER 76 HN SER 76 5.469 -7.148 -4.907 500 HA SER 76 HA SER 76 6.559 -4.684 -5.796 501 HB2 SER 76 HB2 SER 76 5.166 -4.652 -7.962 502 HB3 SER 76 HB1 SER 76 6.681 -5.553 -7.978 503 HG SER 76 HG SER 76 4.039 -6.529 -7.858 504 H SER 77 HN SER 77 4.793 -3.088 -6.349 505 HA SER 77 HA SER 77 2.643 -3.403 -4.410 506 HB2 SER 77 HB2 SER 77 2.233 -0.950 -5.014 507 HB3 SER 77 HB1 SER 77 3.762 -1.322 -4.218 508 HG SER 77 HG SER 77 3.609 0.028 -6.322 509 H ASP 78 HN ASP 78 2.875 -4.511 -7.351 510 HA ASP 78 HA ASP 78 0.161 -3.663 -8.135 511 HB2 ASP 78 HB2 ASP 78 0.831 -4.216 -10.476 512 HB3 ASP 78 HB1 ASP 78 1.746 -2.881 -9.781 513 H CYS 79 HN CYS 79 -1.257 -5.220 -8.901 514 HA CYS 79 HA CYS 79 -0.504 -8.014 -8.319 515 HB2 CYS 79 HB2 CYS 79 -2.566 -6.427 -7.228 516 HB3 CYS 79 HB1 CYS 79 -3.354 -7.585 -8.294 517 HA PRO 80 HA PRO 80 -1.398 -8.209 -12.777 518 HB2 PRO 80 HB2 PRO 80 -0.234 -10.611 -13.195 519 HB3 PRO 80 HB1 PRO 80 0.702 -9.120 -13.034 520 HG2 PRO 80 HG2 PRO 80 0.144 -11.235 -10.986 521 HG3 PRO 80 HG1 PRO 80 1.673 -10.416 -11.358 522 HD2 PRO 80 HD2 PRO 80 0.109 -9.701 -9.265 523 HD3 PRO 80 HD1 PRO 80 1.101 -8.533 -10.158 524 H TRP 81 HN TRP 81 -3.124 -9.037 -13.808 525 HA TRP 81 HA TRP 81 -5.086 -10.533 -12.457 526 HB2 TRP 81 HB2 TRP 81 -5.209 -10.745 -15.378 527 HB3 TRP 81 HB1 TRP 81 -6.411 -10.153 -14.242 528 HD1 TRP 81 HD1 TRP 81 -3.492 -8.950 -16.411 529 HE1 TRP 81 HE1 TRP 81 -3.671 -6.393 -16.650 530 HE3 TRP 81 HE3 TRP 81 -7.247 -8.119 -13.088 531 HZ2 TRP 81 HZ2 TRP 81 -5.222 -4.300 -15.565 532 HZ3 TRP 81 HZ3 TRP 81 -8.041 -5.811 -12.736 533 HH2 TRP 81 HH2 TRP 81 -7.042 -3.937 -13.949 534 H ASN 82 HN ASN 82 -2.299 -11.517 -14.113 535 HA ASN 82 HA ASN 82 -1.368 -13.588 -14.415 536 HB2 ASN 82 HB2 ASN 82 -3.178 -14.064 -12.382 537 HB3 ASN 82 HB1 ASN 82 -3.681 -15.210 -13.621 538 HD21 ASN 82 HD21 ASN 82 -1.144 -15.689 -14.752 539 HD22 ASN 82 HD22 ASN 82 -0.208 -16.579 -13.605 540 H HIS 83 HN HIS 83 -3.245 -12.115 -16.209 541 HA HIS 83 HA HIS 83 -4.375 -14.271 -17.825 542 HB2 HIS 83 HB2 HIS 83 -4.659 -11.261 -18.031 543 HB3 HIS 83 HB1 HIS 83 -5.477 -12.428 -19.069 544 HD1 HIS 83 HD1 HIS 83 -6.888 -10.366 -17.086 545 HD2 HIS 83 HD2 HIS 83 -6.256 -14.412 -16.404 546 HE1 HIS 83 HE1 HIS 83 -8.591 -11.033 -15.360 547 HE2 HIS 83 HE2 HIS 83 -8.260 -13.508 -15.044 Start of MODEL 25 1 H1 SER 1 HT1 SER 1 -8.964 21.197 15.179 2 H2 SER 1 HT2 SER 1 -9.163 21.756 13.568 3 H3 SER 1 HT3 SER 1 -7.607 21.756 14.293 4 HA SER 1 HA SER 1 -9.221 19.350 13.781 5 HB2 SER 1 HB2 SER 1 -6.760 20.034 12.236 6 HB3 SER 1 HB1 SER 1 -8.180 19.115 11.737 7 HG SER 1 HG SER 1 -7.796 21.896 11.829 8 HA PRO 2 HA PRO 2 -6.292 17.346 16.403 9 HB2 PRO 2 HB2 PRO 2 -6.144 14.886 15.265 10 HB3 PRO 2 HB1 PRO 2 -7.554 15.437 16.178 11 HG2 PRO 2 HG2 PRO 2 -7.130 15.353 13.215 12 HG3 PRO 2 HG1 PRO 2 -8.564 14.897 14.153 13 HD2 PRO 2 HD2 PRO 2 -8.362 17.269 12.865 14 HD3 PRO 2 HD1 PRO 2 -9.265 17.081 14.381 15 HA PRO 3 HA PRO 3 -2.165 17.754 14.886 16 HB2 PRO 3 HB2 PRO 3 -1.634 15.130 16.192 17 HB3 PRO 3 HB1 PRO 3 -0.782 16.668 16.368 18 HG2 PRO 3 HG2 PRO 3 -2.424 15.807 18.275 19 HG3 PRO 3 HG1 PRO 3 -2.357 17.525 17.840 20 HD2 PRO 3 HD2 PRO 3 -4.422 15.477 17.171 21 HD3 PRO 3 HD1 PRO 3 -4.618 17.205 17.526 22 H VAL 4 HN VAL 4 -1.397 17.353 12.937 23 HA VAL 4 HA VAL 4 -1.263 14.713 11.887 24 HB VAL 4 HB VAL 4 -3.531 15.742 11.338 25 HG11 VAL 4 HG11 VAL 4 -3.647 17.316 9.507 26 HG12 VAL 4 HG12 VAL 4 -1.890 17.410 9.456 27 HG13 VAL 4 HG13 VAL 4 -2.760 18.003 10.867 28 HG21 VAL 4 HG21 VAL 4 -1.868 14.960 8.969 29 HG22 VAL 4 HG22 VAL 4 -3.607 14.763 9.189 30 HG23 VAL 4 HG23 VAL 4 -2.487 13.827 10.170 31 H CYS 5 HN CYS 5 0.974 14.979 12.001 32 HA CYS 5 HA CYS 5 2.314 17.316 11.135 33 HB2 CYS 5 HB2 CYS 5 4.122 15.117 10.876 34 HB3 CYS 5 HB1 CYS 5 4.082 16.359 12.110 35 H GLY 6 HN GLY 6 1.849 17.984 9.151 36 HA2 GLY 6 HA2 GLY 6 2.641 18.046 6.890 37 HA3 GLY 6 HA1 GLY 6 2.758 16.290 6.923 38 H ASN 7 HN ASN 7 -0.035 17.647 8.358 39 HA ASN 7 HA ASN 7 -2.235 17.617 7.839 40 HB2 ASN 7 HB2 ASN 7 -0.975 18.245 5.199 41 HB3 ASN 7 HB1 ASN 7 -2.687 17.823 5.224 42 HD21 ASN 7 HD21 ASN 7 -4.145 19.260 5.995 43 HD22 ASN 7 HD22 ASN 7 -3.745 20.858 6.516 44 H LYS 8 HN LYS 8 -3.704 15.995 7.678 45 HA LYS 8 HA LYS 8 -2.928 13.370 7.338 46 HB2 LYS 8 HB2 LYS 8 -4.992 13.684 8.420 47 HB3 LYS 8 HB1 LYS 8 -5.619 14.698 7.130 48 HG2 LYS 8 HG2 LYS 8 -6.595 12.373 7.328 49 HG3 LYS 8 HG1 LYS 8 -6.025 12.854 5.730 50 HD2 LYS 8 HD2 LYS 8 -4.624 11.119 5.664 51 HD3 LYS 8 HD1 LYS 8 -3.875 11.625 7.180 52 HE2 LYS 8 HE2 LYS 8 -4.800 9.336 7.274 53 HE3 LYS 8 HE1 LYS 8 -5.528 10.423 8.455 54 HZ1 LYS 8 HZ1 LYS 8 -6.856 10.178 5.867 55 HZ2 LYS 8 HZ2 LYS 8 -7.522 10.375 7.409 56 HZ3 LYS 8 HZ3 LYS 8 -6.967 8.855 6.916 57 H ILE 9 HN ILE 9 -1.914 12.633 5.591 58 HA ILE 9 HA ILE 9 -2.061 13.616 3.016 59 HB ILE 9 HB ILE 9 -1.538 11.247 2.202 60 HG12 ILE 9 HG12 ILE 9 -0.548 9.894 4.191 61 HG13 ILE 9 HG11 ILE 9 -1.687 10.815 5.168 62 HG21 ILE 9 HG21 ILE 9 0.752 11.449 2.944 63 HG22 ILE 9 HG22 ILE 9 0.257 12.532 4.244 64 HG23 ILE 9 HG23 ILE 9 0.090 13.036 2.564 65 HD11 ILE 9 HD11 ILE 9 -3.005 9.744 2.865 66 HD12 ILE 9 HD12 ILE 9 -3.344 9.480 4.574 67 HD13 ILE 9 HD13 ILE 9 -2.165 8.469 3.741 68 H LEU 10 HN LEU 10 -3.567 13.830 1.599 69 HA LEU 10 HA LEU 10 -6.091 12.496 1.949 70 HB2 LEU 10 HB2 LEU 10 -6.754 13.963 -0.018 71 HB3 LEU 10 HB1 LEU 10 -6.315 14.769 1.475 72 HG LEU 10 HG LEU 10 -5.457 15.671 -0.820 73 HD11 LEU 10 HD11 LEU 10 -4.666 15.970 1.805 74 HD12 LEU 10 HD12 LEU 10 -4.205 16.994 0.446 75 HD13 LEU 10 HD13 LEU 10 -3.159 15.664 0.941 76 HD21 LEU 10 HD21 LEU 10 -4.472 13.493 -1.503 77 HD22 LEU 10 HD22 LEU 10 -3.281 13.679 -0.217 78 HD23 LEU 10 HD23 LEU 10 -3.338 14.842 -1.540 79 H GLU 11 HN GLU 11 -3.472 11.318 0.748 80 HA GLU 11 HA GLU 11 -4.521 9.230 -0.675 81 HB2 GLU 11 HB2 GLU 11 -4.148 9.746 -3.012 82 HB3 GLU 11 HB1 GLU 11 -5.254 10.931 -2.337 83 HG2 GLU 11 HG2 GLU 11 -2.985 12.252 -1.943 84 HG3 GLU 11 HG1 GLU 11 -2.479 11.257 -3.307 85 H GLN 12 HN GLN 12 -2.450 9.467 1.118 86 HA GLN 12 HA GLN 12 -0.374 8.094 -0.187 87 HB2 GLN 12 HB2 GLN 12 1.350 10.039 0.423 88 HB3 GLN 12 HB1 GLN 12 0.606 9.889 -1.161 89 HG2 GLN 12 HG2 GLN 12 -1.183 11.435 0.300 90 HG3 GLN 12 HG1 GLN 12 0.409 12.008 0.790 91 HE21 GLN 12 HE21 GLN 12 0.347 13.944 -0.241 92 HE22 GLN 12 HE22 GLN 12 0.311 14.117 -1.959 93 H GLY 13 HN GLY 13 -1.177 6.941 1.824 94 HA2 GLY 13 HA2 GLY 13 -0.211 7.942 4.362 95 HA3 GLY 13 HA1 GLY 13 -0.971 6.383 4.077 96 H GLU 14 HN GLU 14 1.886 7.815 2.579 97 HA GLU 14 HA GLU 14 4.057 6.954 3.777 98 HB2 GLU 14 HB2 GLU 14 2.598 4.552 2.855 99 HB3 GLU 14 HB1 GLU 14 4.313 4.590 2.473 100 HG2 GLU 14 HG2 GLU 14 4.952 4.422 4.641 101 HG3 GLU 14 HG1 GLU 14 3.525 5.262 5.245 102 H ASP 15 HN ASP 15 2.878 8.468 1.538 103 HA ASP 15 HA ASP 15 4.675 7.717 -0.643 104 HB2 ASP 15 HB2 ASP 15 2.056 8.346 -0.748 105 HB3 ASP 15 HB1 ASP 15 2.747 9.955 -0.940 106 H CYS 16 HN CYS 16 3.588 10.556 1.195 107 HA CYS 16 HA CYS 16 6.034 11.576 1.877 108 HB2 CYS 16 HB2 CYS 16 6.374 11.669 -0.609 109 HB3 CYS 16 HB1 CYS 16 5.102 12.882 -0.677 110 H ASP 17 HN ASP 17 4.624 11.998 3.635 111 HA ASP 17 HA ASP 17 3.996 14.485 4.273 112 HB2 ASP 17 HB2 ASP 17 1.997 13.575 2.315 113 HB3 ASP 17 HB1 ASP 17 1.308 14.261 3.782 114 H CYS 18 HN CYS 18 2.161 11.448 4.131 115 HA CYS 18 HA CYS 18 1.150 10.179 5.716 116 HB2 CYS 18 HB2 CYS 18 3.129 11.414 7.625 117 HB3 CYS 18 HB1 CYS 18 2.285 9.888 7.829 118 H GLY 19 HN GLY 19 2.020 13.126 7.539 119 HA2 GLY 19 HA2 GLY 19 0.683 14.646 8.646 120 HA3 GLY 19 HA1 GLY 19 -0.659 14.052 7.686 121 H SER 20 HN SER 20 -1.408 11.782 8.361 122 HA SER 20 HA SER 20 -2.418 11.983 10.920 123 HB2 SER 20 HB2 SER 20 -3.364 9.868 10.629 124 HB3 SER 20 HB1 SER 20 -3.253 10.545 9.007 125 HG SER 20 HG SER 20 -2.503 8.385 9.070 126 HA PRO 21 HA PRO 21 1.299 11.293 13.232 127 HB2 PRO 21 HB2 PRO 21 -0.781 11.149 15.365 128 HB3 PRO 21 HB1 PRO 21 0.734 12.061 15.332 129 HG2 PRO 21 HG2 PRO 21 -1.581 13.289 14.911 130 HG3 PRO 21 HG1 PRO 21 -0.144 13.724 13.965 131 HD2 PRO 21 HD2 PRO 21 -2.520 12.098 13.161 132 HD3 PRO 21 HD1 PRO 21 -1.555 13.223 12.189 133 H ALA 22 HN ALA 22 -1.533 9.261 13.156 134 HA ALA 22 HA ALA 22 -0.788 7.171 14.808 135 HB1 ALA 22 HB1 ALA 22 -1.942 5.786 12.826 136 HB2 ALA 22 HB2 ALA 22 -2.461 7.411 12.378 137 HB3 ALA 22 HB3 ALA 22 -2.859 6.765 13.970 138 H ASN 23 HN ASN 23 0.538 8.202 11.798 139 HA ASN 23 HA ASN 23 2.335 5.877 11.741 140 HB2 ASN 23 HB2 ASN 23 1.625 7.685 9.422 141 HB3 ASN 23 HB1 ASN 23 2.525 6.169 9.362 142 HD21 ASN 23 HD21 ASN 23 -0.618 7.584 10.024 143 HD22 ASN 23 HD22 ASN 23 -1.538 6.168 9.661 144 H CYS 24 HN CYS 24 2.080 9.319 11.925 145 HA CYS 24 HA CYS 24 4.490 10.290 11.057 146 HB2 CYS 24 HB2 CYS 24 2.536 11.555 12.042 147 HB3 CYS 24 HB1 CYS 24 3.157 11.137 13.631 148 H GLN 25 HN GLN 25 6.195 8.859 11.374 149 HA GLN 25 HA GLN 25 7.912 7.809 12.445 150 HB2 GLN 25 HB2 GLN 25 7.538 10.273 14.145 151 HB3 GLN 25 HB1 GLN 25 8.873 9.153 14.378 152 HG2 GLN 25 HG2 GLN 25 9.333 9.552 11.867 153 HG3 GLN 25 HG1 GLN 25 8.322 10.981 12.082 154 HE21 GLN 25 HE21 GLN 25 9.167 12.749 13.008 155 HE22 GLN 25 HE22 GLN 25 10.771 12.859 13.639 156 H ASP 26 HN ASP 26 6.311 6.085 12.988 157 HA ASP 26 HA ASP 26 6.649 5.227 15.638 158 HB2 ASP 26 HB2 ASP 26 4.745 7.114 15.649 159 HB3 ASP 26 HB1 ASP 26 3.746 5.723 15.242 160 H ARG 27 HN ARG 27 4.634 5.045 12.738 161 HA ARG 27 HA ARG 27 4.378 2.151 13.156 162 HB2 ARG 27 HB2 ARG 27 2.257 3.301 12.878 163 HB3 ARG 27 HB1 ARG 27 2.806 4.006 11.365 164 HG2 ARG 27 HG2 ARG 27 1.413 2.234 10.746 165 HG3 ARG 27 HG1 ARG 27 3.053 1.623 10.519 166 HD2 ARG 27 HD2 ARG 27 1.482 1.161 13.041 167 HD3 ARG 27 HD1 ARG 27 1.403 0.068 11.661 168 HE ARG 27 HE ARG 27 3.533 0.299 13.559 169 HH11 ARG 27 HH11 ARG 27 2.759 -0.563 10.268 170 HH12 ARG 27 HH12 ARG 27 4.126 -1.610 10.088 171 HH21 ARG 27 HH21 ARG 27 5.332 -1.077 13.326 172 HH22 ARG 27 HH22 ARG 27 5.587 -1.903 11.824 173 H CYS 28 HN CYS 28 4.230 3.928 10.100 174 HA CYS 28 HA CYS 28 6.770 2.896 9.210 175 HB2 CYS 28 HB2 CYS 28 4.329 1.441 8.696 176 HB3 CYS 28 HB1 CYS 28 5.038 1.991 7.183 177 H CYS 29 HN CYS 29 5.280 5.475 9.482 178 HA CYS 29 HA CYS 29 5.697 6.407 6.723 179 HB2 CYS 29 HB2 CYS 29 3.211 6.023 7.505 180 HB3 CYS 29 HB1 CYS 29 3.454 7.556 8.332 181 H ASN 30 HN ASN 30 6.603 8.391 6.497 182 HA ASN 30 HA ASN 30 7.474 9.715 8.971 183 HB2 ASN 30 HB2 ASN 30 8.550 9.699 6.167 184 HB3 ASN 30 HB1 ASN 30 9.020 10.922 7.325 185 HD21 ASN 30 HD21 ASN 30 9.204 9.521 9.637 186 HD22 ASN 30 HD22 ASN 30 10.453 8.334 9.517 187 H ALA 31 HN ALA 31 5.818 10.988 9.496 188 HA ALA 31 HA ALA 31 4.538 12.701 7.552 189 HB1 ALA 31 HB1 ALA 31 3.942 11.792 10.204 190 HB2 ALA 31 HB2 ALA 31 2.881 12.591 9.052 191 HB3 ALA 31 HB3 ALA 31 3.861 13.547 10.154 192 H ALA 32 HN ALA 32 7.206 12.727 9.645 193 HA ALA 32 HA ALA 32 7.503 15.645 9.466 194 HB1 ALA 32 HB1 ALA 32 8.909 13.606 11.188 195 HB2 ALA 32 HB2 ALA 32 7.689 14.771 11.708 196 HB3 ALA 32 HB3 ALA 32 9.273 15.333 11.172 197 H THR 33 HN THR 33 8.332 12.899 7.828 198 HA THR 33 HA THR 33 10.775 14.133 6.771 199 HB THR 33 HB THR 33 10.811 11.277 6.433 200 HG1 THR 33 HG1 THR 33 11.078 10.833 8.717 201 HG21 THR 33 HG21 THR 33 12.602 12.663 8.327 202 HG22 THR 33 HG22 THR 33 12.691 13.091 6.617 203 HG23 THR 33 HG23 THR 33 12.959 11.423 7.127 204 H CYS 34 HN CYS 34 7.711 13.554 6.043 205 HA CYS 34 HA CYS 34 6.486 13.121 4.167 206 HB2 CYS 34 HB2 CYS 34 7.806 15.323 3.794 207 HB3 CYS 34 HB1 CYS 34 8.730 14.385 2.627 208 H LYS 35 HN LYS 35 7.627 10.736 4.696 209 HA LYS 35 HA LYS 35 7.663 9.513 2.176 210 HB2 LYS 35 HB2 LYS 35 10.243 10.496 3.084 211 HB3 LYS 35 HB1 LYS 35 10.260 8.771 2.740 212 HG2 LYS 35 HG2 LYS 35 8.897 10.337 0.697 213 HG3 LYS 35 HG1 LYS 35 10.595 10.774 0.905 214 HD2 LYS 35 HD2 LYS 35 10.076 7.888 0.872 215 HD3 LYS 35 HD1 LYS 35 9.685 8.716 -0.636 216 HE2 LYS 35 HE2 LYS 35 11.843 9.111 -1.121 217 HE3 LYS 35 HE1 LYS 35 12.244 9.509 0.549 218 HZ1 LYS 35 HZ1 LYS 35 12.826 7.391 1.011 219 HZ2 LYS 35 HZ2 LYS 35 13.122 7.330 -0.653 220 HZ3 LYS 35 HZ3 LYS 35 11.677 6.711 -0.028 221 H LEU 36 HN LEU 36 7.514 7.325 2.251 222 HA LEU 36 HA LEU 36 6.786 6.081 4.638 223 HB2 LEU 36 HB2 LEU 36 6.853 4.001 3.489 224 HB3 LEU 36 HB1 LEU 36 6.333 5.208 2.334 225 HG LEU 36 HG LEU 36 9.116 4.059 2.521 226 HD11 LEU 36 HD11 LEU 36 7.193 2.583 1.682 227 HD12 LEU 36 HD12 LEU 36 8.622 2.742 0.660 228 HD13 LEU 36 HD13 LEU 36 7.161 3.657 0.284 229 HD21 LEU 36 HD21 LEU 36 9.250 6.296 1.714 230 HD22 LEU 36 HD22 LEU 36 7.875 6.052 0.637 231 HD23 LEU 36 HD23 LEU 36 9.398 5.219 0.325 232 H THR 37 HN THR 37 7.867 4.923 6.196 233 HA THR 37 HA THR 37 10.625 5.536 6.546 234 HB THR 37 HB THR 37 10.354 3.929 8.536 235 HG1 THR 37 HG1 THR 37 8.602 2.789 8.368 236 HG21 THR 37 HG21 THR 37 10.245 6.063 9.272 237 HG22 THR 37 HG22 THR 37 8.572 5.585 9.568 238 HG23 THR 37 HG23 THR 37 8.983 6.515 8.126 239 HA PRO 38 HA PRO 38 13.016 2.287 4.834 240 HB2 PRO 38 HB2 PRO 38 13.898 1.743 7.640 241 HB3 PRO 38 HB1 PRO 38 14.871 1.948 6.178 242 HG2 PRO 38 HG2 PRO 38 14.686 3.919 7.938 243 HG3 PRO 38 HG1 PRO 38 14.644 4.264 6.199 244 HD2 PRO 38 HD2 PRO 38 12.420 4.249 8.184 245 HD3 PRO 38 HD1 PRO 38 12.657 5.281 6.759 246 H GLY 39 HN GLY 39 12.920 0.103 4.472 247 HA2 GLY 39 HA2 GLY 39 12.355 -2.127 4.850 248 HA3 GLY 39 HA1 GLY 39 11.674 -1.666 6.402 249 H SER 40 HN SER 40 10.293 0.510 4.509 250 HA SER 40 HA SER 40 7.852 -1.023 4.267 251 HB2 SER 40 HB2 SER 40 6.799 1.112 3.755 252 HB3 SER 40 HB1 SER 40 7.849 1.299 5.160 253 HG SER 40 HG SER 40 8.835 2.785 4.079 254 H GLN 41 HN GLN 41 7.994 -2.411 2.559 255 HA GLN 41 HA GLN 41 9.137 -1.680 0.048 256 HB2 GLN 41 HB2 GLN 41 7.902 -4.057 1.233 257 HB3 GLN 41 HB1 GLN 41 7.541 -3.870 -0.478 258 HG2 GLN 41 HG2 GLN 41 10.144 -3.446 -0.614 259 HG3 GLN 41 HG1 GLN 41 10.131 -4.387 0.876 260 HE21 GLN 41 HE21 GLN 41 8.406 -6.306 0.576 261 HE22 GLN 41 HE22 GLN 41 8.732 -7.289 -0.807 262 H CYS 42 HN CYS 42 6.191 -0.933 1.479 263 HA CYS 42 HA CYS 42 5.174 0.079 -1.038 264 HB2 CYS 42 HB2 CYS 42 4.232 -2.154 -1.021 265 HB3 CYS 42 HB1 CYS 42 3.636 -1.927 0.618 266 H ASN 43 HN ASN 43 3.768 1.768 -0.826 267 HA ASN 43 HA ASN 43 3.542 2.888 1.870 268 HB2 ASN 43 HB2 ASN 43 2.948 5.000 0.615 269 HB3 ASN 43 HB1 ASN 43 4.575 4.395 0.320 270 HD21 ASN 43 HD21 ASN 43 5.193 4.219 -1.707 271 HD22 ASN 43 HD22 ASN 43 4.151 4.172 -3.085 272 H TYR 44 HN TYR 44 1.701 2.109 -1.006 273 HA TYR 44 HA TYR 44 -0.614 1.352 0.403 274 HB2 TYR 44 HB2 TYR 44 -2.151 3.102 -0.091 275 HB3 TYR 44 HB1 TYR 44 -0.745 3.870 0.638 276 HD1 TYR 44 HD1 TYR 44 -2.192 3.038 -2.697 277 HD2 TYR 44 HD2 TYR 44 0.222 5.695 -0.413 278 HE1 TYR 44 HE1 TYR 44 -2.019 4.533 -4.633 279 HE2 TYR 44 HE2 TYR 44 0.405 7.202 -2.343 280 HH TYR 44 HH TYR 44 -1.288 7.549 -4.576 281 H GLY 45 HN GLY 45 -2.402 0.770 -1.110 282 HA2 GLY 45 HA2 GLY 45 -2.883 0.732 -3.606 283 HA3 GLY 45 HA1 GLY 45 -1.260 0.075 -3.736 284 H GLU 46 HN GLU 46 -2.958 -1.455 -4.874 285 HA GLU 46 HA GLU 46 -4.547 -3.217 -3.439 286 HB2 GLU 46 HB2 GLU 46 -3.065 -3.402 -6.031 287 HB3 GLU 46 HB1 GLU 46 -3.861 -4.832 -5.389 288 HG2 GLU 46 HG2 GLU 46 -5.787 -4.144 -6.219 289 HG3 GLU 46 HG1 GLU 46 -5.700 -2.686 -5.233 290 H CYS 47 HN CYS 47 -1.093 -3.427 -4.178 291 HA CYS 47 HA CYS 47 -0.873 -5.916 -2.676 292 HB2 CYS 47 HB2 CYS 47 0.910 -4.394 -4.531 293 HB3 CYS 47 HB1 CYS 47 1.623 -5.557 -3.419 294 H CYS 48 HN CYS 48 -1.530 -3.593 -1.125 295 HA CYS 48 HA CYS 48 0.990 -3.230 0.355 296 HB2 CYS 48 HB2 CYS 48 -0.714 -1.286 -0.653 297 HB3 CYS 48 HB1 CYS 48 -1.098 -1.340 1.066 298 H ASP 49 HN ASP 49 1.142 -4.241 2.200 299 HA ASP 49 HA ASP 49 -1.182 -4.478 3.944 300 HB2 ASP 49 HB2 ASP 49 -1.138 -6.560 2.602 301 HB3 ASP 49 HB1 ASP 49 0.504 -6.867 3.159 302 H GLN 50 HN GLN 50 -0.560 -3.665 5.820 303 HA GLN 50 HA GLN 50 0.637 -3.261 7.713 304 HB2 GLN 50 HB2 GLN 50 1.600 -5.812 6.822 305 HB3 GLN 50 HB1 GLN 50 2.945 -4.887 7.474 306 HG2 GLN 50 HG2 GLN 50 1.242 -4.430 9.427 307 HG3 GLN 50 HG1 GLN 50 0.513 -5.919 8.828 308 HE21 GLN 50 HE21 GLN 50 1.390 -6.022 11.306 309 HE22 GLN 50 HE22 GLN 50 2.870 -6.904 11.434 310 H CYS 51 HN CYS 51 3.395 -4.167 5.669 311 HA CYS 51 HA CYS 51 4.054 -1.465 5.005 312 HB2 CYS 51 HB2 CYS 51 4.711 -1.833 7.503 313 HB3 CYS 51 HB1 CYS 51 6.051 -2.757 6.835 314 H ARG 52 HN ARG 52 3.733 -4.063 3.712 315 HA ARG 52 HA ARG 52 6.114 -3.981 2.093 316 HB2 ARG 52 HB2 ARG 52 5.479 -6.376 3.806 317 HB3 ARG 52 HB1 ARG 52 6.438 -6.510 2.338 318 HG2 ARG 52 HG2 ARG 52 8.001 -4.814 3.305 319 HG3 ARG 52 HG1 ARG 52 7.095 -4.937 4.815 320 HD2 ARG 52 HD2 ARG 52 8.738 -6.470 5.222 321 HD3 ARG 52 HD1 ARG 52 7.535 -7.513 4.466 322 HE ARG 52 HE ARG 52 9.298 -6.422 2.529 323 HH11 ARG 52 HH11 ARG 52 9.102 -8.856 5.022 324 HH12 ARG 52 HH12 ARG 52 10.286 -9.883 4.287 325 HH21 ARG 52 HH21 ARG 52 10.856 -7.772 1.560 326 HH22 ARG 52 HH22 ARG 52 11.282 -9.268 2.321 327 H PHE 53 HN PHE 53 5.940 -5.558 0.230 328 HA PHE 53 HA PHE 53 3.356 -5.314 -0.928 329 HB2 PHE 53 HB2 PHE 53 5.911 -6.626 -1.813 330 HB3 PHE 53 HB1 PHE 53 4.426 -6.846 -2.732 331 HD1 PHE 53 HD1 PHE 53 3.342 -4.023 -2.210 332 HD2 PHE 53 HD2 PHE 53 7.127 -5.475 -3.492 333 HE1 PHE 53 HE1 PHE 53 3.745 -1.904 -3.371 334 HE2 PHE 53 HE2 PHE 53 7.545 -3.349 -4.663 335 HZ PHE 53 HZ PHE 53 5.853 -1.559 -4.604 336 H LYS 54 HN LYS 54 1.755 -6.776 -1.223 337 HA LYS 54 HA LYS 54 1.509 -8.912 0.580 338 HB2 LYS 54 HB2 LYS 54 0.010 -8.141 -1.910 339 HB3 LYS 54 HB1 LYS 54 -0.393 -9.607 -1.029 340 HG2 LYS 54 HG2 LYS 54 -0.226 -7.058 0.486 341 HG3 LYS 54 HG1 LYS 54 -1.623 -7.332 -0.557 342 HD2 LYS 54 HD2 LYS 54 -1.278 -9.726 0.836 343 HD3 LYS 54 HD1 LYS 54 -1.006 -8.458 2.033 344 HE2 LYS 54 HE2 LYS 54 -3.348 -8.251 0.197 345 HE3 LYS 54 HE1 LYS 54 -3.422 -9.369 1.559 346 HZ1 LYS 54 HZ1 LYS 54 -2.877 -7.497 3.030 347 HZ2 LYS 54 HZ2 LYS 54 -4.327 -7.251 2.193 348 HZ3 LYS 54 HZ3 LYS 54 -2.922 -6.445 1.705 349 H LYS 55 HN LYS 55 2.938 -10.545 0.543 350 HA LYS 55 HA LYS 55 4.557 -11.576 -1.270 351 HB2 LYS 55 HB2 LYS 55 4.254 -12.529 0.977 352 HB3 LYS 55 HB1 LYS 55 2.762 -13.294 0.450 353 HG2 LYS 55 HG2 LYS 55 4.228 -15.037 0.269 354 HG3 LYS 55 HG1 LYS 55 4.308 -14.373 -1.364 355 HD2 LYS 55 HD2 LYS 55 6.276 -12.980 -0.499 356 HD3 LYS 55 HD1 LYS 55 6.282 -14.080 0.881 357 HE2 LYS 55 HE2 LYS 55 6.693 -15.962 -0.530 358 HE3 LYS 55 HE1 LYS 55 6.436 -14.998 -1.984 359 HZ1 LYS 55 HZ1 LYS 55 8.709 -14.872 -0.092 360 HZ2 LYS 55 HZ2 LYS 55 8.399 -13.640 -1.208 361 HZ3 LYS 55 HZ3 LYS 55 8.745 -15.204 -1.751 362 H ALA 56 HN ALA 56 4.535 -12.455 -3.231 363 HA ALA 56 HA ALA 56 2.472 -12.459 -4.967 364 HB1 ALA 56 HB1 ALA 56 4.423 -12.948 -6.035 365 HB2 ALA 56 HB2 ALA 56 3.694 -14.555 -6.006 366 HB3 ALA 56 HB3 ALA 56 4.925 -14.122 -4.817 367 H GLY 57 HN GLY 57 0.616 -13.488 -5.225 368 HA2 GLY 57 HA2 GLY 57 -0.522 -15.682 -5.326 369 HA3 GLY 57 HA1 GLY 57 0.274 -16.068 -3.806 370 H THR 58 HN THR 58 -0.357 -12.980 -3.333 371 HA THR 58 HA THR 58 -2.748 -13.515 -1.803 372 HB THR 58 HB THR 58 -1.225 -10.926 -2.221 373 HG1 THR 58 HG1 THR 58 -0.355 -11.437 -0.162 374 HG21 THR 58 HG21 THR 58 -2.614 -11.200 0.287 375 HG22 THR 58 HG22 THR 58 -3.726 -11.283 -1.080 376 HG23 THR 58 HG23 THR 58 -2.656 -9.890 -0.895 377 H VAL 59 HN VAL 59 -4.605 -13.654 -2.965 378 HA VAL 59 HA VAL 59 -5.047 -12.316 -5.403 379 HB VAL 59 HB VAL 59 -6.323 -14.326 -4.795 380 HG11 VAL 59 HG11 VAL 59 -8.218 -12.896 -3.068 381 HG12 VAL 59 HG12 VAL 59 -6.634 -13.200 -2.353 382 HG13 VAL 59 HG13 VAL 59 -7.601 -14.544 -2.960 383 HG21 VAL 59 HG21 VAL 59 -7.223 -12.209 -6.211 384 HG22 VAL 59 HG22 VAL 59 -8.508 -12.369 -5.014 385 HG23 VAL 59 HG23 VAL 59 -8.096 -13.734 -6.052 386 H CYS 60 HN CYS 60 -5.399 -10.238 -5.752 387 HA CYS 60 HA CYS 60 -6.575 -8.632 -3.575 388 HB2 CYS 60 HB2 CYS 60 -5.274 -7.239 -5.842 389 HB3 CYS 60 HB1 CYS 60 -5.243 -6.866 -4.124 390 H ARG 61 HN ARG 61 -6.980 -9.714 -6.815 391 HA ARG 61 HA ARG 61 -9.597 -8.480 -6.935 392 HB2 ARG 61 HB2 ARG 61 -7.753 -8.037 -9.270 393 HB3 ARG 61 HB1 ARG 61 -9.295 -7.265 -8.931 394 HG2 ARG 61 HG2 ARG 61 -8.226 -6.149 -6.979 395 HG3 ARG 61 HG1 ARG 61 -6.681 -6.811 -7.516 396 HD2 ARG 61 HD2 ARG 61 -8.472 -4.967 -9.095 397 HD3 ARG 61 HD1 ARG 61 -6.976 -4.513 -8.281 398 HE ARG 61 HE ARG 61 -6.745 -6.618 -10.263 399 HH11 ARG 61 HH11 ARG 61 -6.498 -3.198 -9.590 400 HH12 ARG 61 HH12 ARG 61 -5.465 -2.883 -10.943 401 HH21 ARG 61 HH21 ARG 61 -5.390 -6.199 -12.040 402 HH22 ARG 61 HH22 ARG 61 -4.837 -4.584 -12.334 403 H ILE 62 HN ILE 62 -10.465 -9.031 -9.329 404 HA ILE 62 HA ILE 62 -9.609 -11.302 -10.654 405 HB ILE 62 HB ILE 62 -10.098 -12.459 -8.530 406 HG12 ILE 62 HG12 ILE 62 -10.262 -13.561 -10.780 407 HG13 ILE 62 HG11 ILE 62 -11.187 -14.341 -9.504 408 HG21 ILE 62 HG21 ILE 62 -11.923 -12.070 -7.350 409 HG22 ILE 62 HG22 ILE 62 -12.939 -12.592 -8.695 410 HG23 ILE 62 HG23 ILE 62 -12.440 -10.905 -8.570 411 HD11 ILE 62 HD11 ILE 62 -12.063 -13.214 -12.009 412 HD12 ILE 62 HD12 ILE 62 -12.977 -12.571 -10.644 413 HD13 ILE 62 HD13 ILE 62 -12.895 -14.313 -10.909 414 H ALA 63 HN ALA 63 -10.728 -11.561 -12.467 415 HA ALA 63 HA ALA 63 -12.472 -9.579 -13.321 416 HB1 ALA 63 HB1 ALA 63 -11.396 -12.035 -14.430 417 HB2 ALA 63 HB2 ALA 63 -11.696 -10.478 -15.195 418 HB3 ALA 63 HB3 ALA 63 -13.003 -11.649 -15.047 419 H ARG 64 HN ARG 64 -13.939 -12.679 -13.968 420 HA ARG 64 HA ARG 64 -15.993 -12.180 -11.943 421 HB2 ARG 64 HB2 ARG 64 -16.362 -11.999 -14.886 422 HB3 ARG 64 HB1 ARG 64 -17.641 -12.774 -13.960 423 HG2 ARG 64 HG2 ARG 64 -18.384 -10.625 -13.934 424 HG3 ARG 64 HG1 ARG 64 -17.402 -10.617 -12.468 425 HD2 ARG 64 HD2 ARG 64 -15.839 -9.252 -13.362 426 HD3 ARG 64 HD1 ARG 64 -15.984 -9.965 -14.968 427 HE ARG 64 HE ARG 64 -18.306 -8.605 -14.679 428 HH11 ARG 64 HH11 ARG 64 -14.951 -7.716 -14.314 429 HH12 ARG 64 HH12 ARG 64 -15.208 -6.068 -14.776 430 HH21 ARG 64 HH21 ARG 64 -18.646 -6.437 -15.288 431 HH22 ARG 64 HH22 ARG 64 -17.306 -5.341 -15.329 432 H GLY 65 HN GLY 65 -15.209 -14.093 -10.941 433 HA2 GLY 65 HA2 GLY 65 -16.388 -16.338 -10.825 434 HA3 GLY 65 HA1 GLY 65 -15.760 -16.567 -12.451 435 H ASP 66 HN ASP 66 -13.798 -17.426 -12.702 436 HA ASP 66 HA ASP 66 -11.626 -17.107 -10.993 437 HB2 ASP 66 HB2 ASP 66 -13.392 -18.654 -9.687 438 HB3 ASP 66 HB1 ASP 66 -12.554 -19.902 -10.604 439 H TRP 67 HN TRP 67 -10.624 -16.902 -12.972 440 HA TRP 67 HA TRP 67 -10.197 -19.416 -14.453 441 HB2 TRP 67 HB2 TRP 67 -9.496 -17.246 -16.123 442 HB3 TRP 67 HB1 TRP 67 -10.859 -18.342 -16.309 443 HD1 TRP 67 HD1 TRP 67 -10.093 -15.028 -14.403 444 HE1 TRP 67 HE1 TRP 67 -12.244 -13.634 -14.398 445 HE3 TRP 67 HE3 TRP 67 -13.192 -18.306 -16.789 446 HZ2 TRP 67 HZ2 TRP 67 -14.894 -13.874 -15.292 447 HZ3 TRP 67 HZ3 TRP 67 -15.532 -17.644 -17.186 448 HH2 TRP 67 HH2 TRP 67 -16.365 -15.468 -16.452 449 H ASN 68 HN ASN 68 -8.711 -16.227 -14.293 450 HA ASN 68 HA ASN 68 -6.076 -17.488 -13.991 451 HB2 ASN 68 HB2 ASN 68 -6.441 -14.594 -14.684 452 HB3 ASN 68 HB1 ASN 68 -5.128 -15.685 -15.117 453 HD21 ASN 68 HD21 ASN 68 -8.538 -14.992 -15.717 454 HD22 ASN 68 HD22 ASN 68 -8.557 -15.584 -17.340 455 H ASP 69 HN ASP 69 -8.318 -15.180 -12.637 456 HA ASP 69 HA ASP 69 -8.441 -14.144 -10.619 457 HB2 ASP 69 HB2 ASP 69 -6.602 -16.431 -10.028 458 HB3 ASP 69 HB1 ASP 69 -6.879 -15.200 -8.801 459 H ASP 70 HN ASP 70 -7.521 -12.454 -9.491 460 HA ASP 70 HA ASP 70 -5.038 -11.455 -10.629 461 HB2 ASP 70 HB2 ASP 70 -7.187 -10.053 -10.345 462 HB3 ASP 70 HB1 ASP 70 -6.762 -10.005 -8.638 463 H TYR 71 HN TYR 71 -3.153 -11.716 -9.625 464 HA TYR 71 HA TYR 71 -3.180 -11.977 -6.698 465 HB2 TYR 71 HB2 TYR 71 -1.931 -13.789 -8.722 466 HB3 TYR 71 HB1 TYR 71 -1.276 -13.669 -7.091 467 HD1 TYR 71 HD1 TYR 71 -2.844 -14.073 -5.167 468 HD2 TYR 71 HD2 TYR 71 -3.766 -15.160 -9.156 469 HE1 TYR 71 HE1 TYR 71 -4.515 -15.648 -4.323 470 HE2 TYR 71 HE2 TYR 71 -5.462 -16.734 -8.349 471 HH TYR 71 HH TYR 71 -6.850 -16.708 -5.605 472 H CYS 72 HN CYS 72 -1.508 -11.173 -5.581 473 HA CYS 72 HA CYS 72 0.022 -9.104 -6.738 474 HB2 CYS 72 HB2 CYS 72 -0.721 -9.370 -4.300 475 HB3 CYS 72 HB1 CYS 72 0.648 -10.463 -4.123 476 H THR 73 HN THR 73 2.430 -9.003 -6.641 477 HA THR 73 HA THR 73 3.610 -11.613 -7.335 478 HB THR 73 HB THR 73 4.947 -10.552 -9.012 479 HG1 THR 73 HG1 THR 73 3.848 -8.107 -8.086 480 HG21 THR 73 HG21 THR 73 2.244 -10.718 -9.263 481 HG22 THR 73 HG22 THR 73 3.366 -10.313 -10.564 482 HG23 THR 73 HG23 THR 73 2.548 -9.029 -9.673 483 H GLY 74 HN GLY 74 3.586 -9.476 -4.931 484 HA2 GLY 74 HA2 GLY 74 5.034 -8.896 -3.253 485 HA3 GLY 74 HA1 GLY 74 5.893 -10.367 -3.679 486 H LYS 75 HN LYS 75 5.590 -7.931 -6.112 487 HA LYS 75 HA LYS 75 8.261 -6.896 -5.491 488 HB2 LYS 75 HB2 LYS 75 9.113 -7.299 -7.660 489 HB3 LYS 75 HB1 LYS 75 8.372 -8.807 -7.147 490 HG2 LYS 75 HG2 LYS 75 6.371 -7.355 -8.485 491 HG3 LYS 75 HG1 LYS 75 7.834 -7.222 -9.463 492 HD2 LYS 75 HD2 LYS 75 6.980 -9.875 -8.369 493 HD3 LYS 75 HD1 LYS 75 6.232 -9.232 -9.833 494 HE2 LYS 75 HE2 LYS 75 9.210 -9.496 -9.478 495 HE3 LYS 75 HE1 LYS 75 8.207 -10.762 -10.187 496 HZ1 LYS 75 HZ1 LYS 75 7.911 -8.091 -11.306 497 HZ2 LYS 75 HZ2 LYS 75 7.915 -9.595 -12.079 498 HZ3 LYS 75 HZ3 LYS 75 9.376 -8.875 -11.623 499 H SER 76 HN SER 76 5.185 -6.079 -5.888 500 HA SER 76 HA SER 76 5.788 -3.367 -6.534 501 HB2 SER 76 HB2 SER 76 3.903 -4.691 -8.474 502 HB3 SER 76 HB1 SER 76 4.685 -3.115 -8.599 503 HG SER 76 HG SER 76 6.561 -4.071 -9.147 504 H SER 77 HN SER 77 3.787 -2.006 -6.550 505 HA SER 77 HA SER 77 2.000 -2.940 -4.460 506 HB2 SER 77 HB2 SER 77 1.479 -0.708 -4.073 507 HB3 SER 77 HB1 SER 77 3.130 -0.582 -4.681 508 HG SER 77 HG SER 77 0.968 0.558 -5.656 509 H ASP 78 HN ASP 78 1.962 -3.592 -7.558 510 HA ASP 78 HA ASP 78 -0.906 -3.049 -7.926 511 HB2 ASP 78 HB2 ASP 78 -0.412 -3.488 -10.371 512 HB3 ASP 78 HB1 ASP 78 0.308 -2.028 -9.700 513 H CYS 79 HN CYS 79 -2.263 -4.684 -8.644 514 HA CYS 79 HA CYS 79 -1.200 -7.426 -8.371 515 HB2 CYS 79 HB2 CYS 79 -2.981 -6.292 -6.686 516 HB3 CYS 79 HB1 CYS 79 -4.086 -6.944 -7.891 517 HA PRO 80 HA PRO 80 -2.734 -7.359 -12.660 518 HB2 PRO 80 HB2 PRO 80 -1.373 -9.542 -13.482 519 HB3 PRO 80 HB1 PRO 80 -0.606 -7.959 -13.308 520 HG2 PRO 80 HG2 PRO 80 -0.582 -10.290 -11.425 521 HG3 PRO 80 HG1 PRO 80 0.762 -9.248 -11.929 522 HD2 PRO 80 HD2 PRO 80 -0.536 -8.923 -9.571 523 HD3 PRO 80 HD1 PRO 80 0.168 -7.566 -10.471 524 H TRP 81 HN TRP 81 -4.551 -8.256 -13.403 525 HA TRP 81 HA TRP 81 -6.049 -10.159 -11.967 526 HB2 TRP 81 HB2 TRP 81 -6.691 -10.070 -14.818 527 HB3 TRP 81 HB1 TRP 81 -7.703 -9.713 -13.429 528 HD1 TRP 81 HD1 TRP 81 -5.358 -8.028 -15.941 529 HE1 TRP 81 HE1 TRP 81 -5.774 -5.489 -15.857 530 HE3 TRP 81 HE3 TRP 81 -8.473 -7.871 -11.917 531 HZ2 TRP 81 HZ2 TRP 81 -7.242 -3.666 -14.286 532 HZ3 TRP 81 HZ3 TRP 81 -9.354 -5.690 -11.178 533 HH2 TRP 81 HH2 TRP 81 -8.745 -3.627 -12.340 534 H ASN 82 HN ASN 82 -3.549 -10.526 -14.263 535 HA ASN 82 HA ASN 82 -2.415 -12.406 -14.938 536 HB2 ASN 82 HB2 ASN 82 -3.363 -13.425 -12.753 537 HB3 ASN 82 HB1 ASN 82 -4.584 -14.155 -13.791 538 HD21 ASN 82 HD21 ASN 82 -1.377 -14.297 -12.654 539 HD22 ASN 82 HD22 ASN 82 -0.871 -15.682 -13.555 540 H HIS 83 HN HIS 83 -4.565 -10.965 -16.305 541 HA HIS 83 HA HIS 83 -5.719 -13.037 -18.026 542 HB2 HIS 83 HB2 HIS 83 -6.349 -10.077 -17.880 543 HB3 HIS 83 HB1 HIS 83 -7.230 -11.286 -18.815 544 HD1 HIS 83 HD1 HIS 83 -8.572 -9.543 -16.595 545 HD2 HIS 83 HD2 HIS 83 -7.113 -13.393 -16.058 546 HE1 HIS 83 HE1 HIS 83 -9.781 -10.449 -14.585 547 HE2 HIS 83 HE2 HIS 83 -8.828 -12.752 -14.234 Start of MODEL 26 1 H1 SER 1 HT1 SER 1 -4.375 18.031 17.844 2 H2 SER 1 HT2 SER 1 -5.491 18.522 19.051 3 H3 SER 1 HT3 SER 1 -4.978 16.887 18.969 4 HA SER 1 HA SER 1 -3.720 19.191 20.122 5 HB2 SER 1 HB2 SER 1 -2.788 16.494 20.792 6 HB3 SER 1 HB1 SER 1 -3.475 17.739 21.835 7 HG SER 1 HG SER 1 -5.343 16.791 21.698 8 HA PRO 2 HA PRO 2 0.151 17.194 18.164 9 HB2 PRO 2 HB2 PRO 2 -0.053 15.079 16.545 10 HB3 PRO 2 HB1 PRO 2 -0.109 14.897 18.301 11 HG2 PRO 2 HG2 PRO 2 -2.355 14.907 16.326 12 HG3 PRO 2 HG1 PRO 2 -2.113 13.868 17.742 13 HD2 PRO 2 HD2 PRO 2 -3.746 16.089 17.691 14 HD3 PRO 2 HD1 PRO 2 -3.035 15.399 19.162 15 HA PRO 3 HA PRO 3 -0.196 19.301 14.270 16 HB2 PRO 3 HB2 PRO 3 2.369 19.416 13.566 17 HB3 PRO 3 HB1 PRO 3 1.779 20.264 15.001 18 HG2 PRO 3 HG2 PRO 3 3.264 17.677 14.804 19 HG3 PRO 3 HG1 PRO 3 3.456 18.993 15.976 20 HD2 PRO 3 HD2 PRO 3 2.028 16.661 16.427 21 HD3 PRO 3 HD1 PRO 3 1.808 18.176 17.323 22 H VAL 4 HN VAL 4 -0.816 18.714 12.352 23 HA VAL 4 HA VAL 4 -0.287 16.124 11.316 24 HB VAL 4 HB VAL 4 -1.511 18.116 9.528 25 HG11 VAL 4 HG11 VAL 4 -2.062 15.320 10.429 26 HG12 VAL 4 HG12 VAL 4 -1.723 15.926 8.810 27 HG13 VAL 4 HG13 VAL 4 -3.289 16.237 9.557 28 HG21 VAL 4 HG21 VAL 4 -3.714 17.822 10.902 29 HG22 VAL 4 HG22 VAL 4 -2.573 19.101 11.319 30 HG23 VAL 4 HG23 VAL 4 -2.606 17.608 12.257 31 H CYS 5 HN CYS 5 1.939 16.088 10.948 32 HA CYS 5 HA CYS 5 3.301 18.113 9.488 33 HB2 CYS 5 HB2 CYS 5 4.581 15.512 9.219 34 HB3 CYS 5 HB1 CYS 5 5.170 16.965 10.004 35 H GLY 6 HN GLY 6 2.362 18.584 7.580 36 HA2 GLY 6 HA2 GLY 6 2.465 18.264 5.222 37 HA3 GLY 6 HA1 GLY 6 2.541 16.528 5.492 38 H ASN 7 HN ASN 7 0.237 18.074 7.445 39 HA ASN 7 HA ASN 7 -2.031 18.087 7.506 40 HB2 ASN 7 HB2 ASN 7 -1.415 18.638 4.656 41 HB3 ASN 7 HB1 ASN 7 -3.055 18.085 4.990 42 HD21 ASN 7 HD21 ASN 7 -0.728 20.614 5.442 43 HD22 ASN 7 HD22 ASN 7 -1.825 21.795 6.064 44 H LYS 8 HN LYS 8 -3.619 16.592 7.714 45 HA LYS 8 HA LYS 8 -3.140 13.921 7.622 46 HB2 LYS 8 HB2 LYS 8 -5.092 14.828 8.738 47 HB3 LYS 8 HB1 LYS 8 -5.786 15.324 7.201 48 HG2 LYS 8 HG2 LYS 8 -6.936 13.377 7.829 49 HG3 LYS 8 HG1 LYS 8 -5.807 12.876 6.569 50 HD2 LYS 8 HD2 LYS 8 -4.609 11.586 7.980 51 HD3 LYS 8 HD1 LYS 8 -4.770 12.724 9.319 52 HE2 LYS 8 HE2 LYS 8 -7.043 11.001 8.364 53 HE3 LYS 8 HE1 LYS 8 -5.902 10.471 9.600 54 HZ1 LYS 8 HZ1 LYS 8 -7.435 12.995 9.828 55 HZ2 LYS 8 HZ2 LYS 8 -6.591 12.176 11.043 56 HZ3 LYS 8 HZ3 LYS 8 -8.019 11.521 10.418 57 H ILE 9 HN ILE 9 -2.159 13.056 5.849 58 HA ILE 9 HA ILE 9 -2.530 13.617 3.209 59 HB ILE 9 HB ILE 9 -2.039 11.167 2.705 60 HG12 ILE 9 HG12 ILE 9 -0.981 10.066 4.804 61 HG13 ILE 9 HG11 ILE 9 -2.054 11.130 5.708 62 HG21 ILE 9 HG21 ILE 9 -0.323 12.825 2.670 63 HG22 ILE 9 HG22 ILE 9 0.305 11.423 3.538 64 HG23 ILE 9 HG23 ILE 9 -0.242 12.838 4.428 65 HD11 ILE 9 HD11 ILE 9 -3.550 9.820 3.670 66 HD12 ILE 9 HD12 ILE 9 -3.727 9.719 5.421 67 HD13 ILE 9 HD13 ILE 9 -2.630 8.624 4.581 68 H LEU 10 HN LEU 10 -4.079 13.536 1.803 69 HA LEU 10 HA LEU 10 -6.593 12.329 2.555 70 HB2 LEU 10 HB2 LEU 10 -7.432 13.525 0.503 71 HB3 LEU 10 HB1 LEU 10 -6.794 14.540 1.783 72 HG LEU 10 HG LEU 10 -6.208 15.027 -0.716 73 HD11 LEU 10 HD11 LEU 10 -5.115 16.545 0.481 74 HD12 LEU 10 HD12 LEU 10 -3.719 15.473 0.369 75 HD13 LEU 10 HD13 LEU 10 -4.776 15.401 1.780 76 HD21 LEU 10 HD21 LEU 10 -5.356 12.844 -1.301 77 HD22 LEU 10 HD22 LEU 10 -4.149 12.938 -0.020 78 HD23 LEU 10 HD23 LEU 10 -4.061 14.037 -1.396 79 H GLU 11 HN GLU 11 -4.065 10.964 1.348 80 HA GLU 11 HA GLU 11 -5.282 8.734 0.275 81 HB2 GLU 11 HB2 GLU 11 -4.928 8.938 -2.129 82 HB3 GLU 11 HB1 GLU 11 -6.021 10.191 -1.564 83 HG2 GLU 11 HG2 GLU 11 -4.733 11.602 -2.699 84 HG3 GLU 11 HG1 GLU 11 -3.575 11.410 -1.382 85 H GLN 12 HN GLN 12 -2.971 9.465 1.876 86 HA GLN 12 HA GLN 12 -0.882 8.168 0.262 87 HB2 GLN 12 HB2 GLN 12 -0.272 10.052 2.514 88 HB3 GLN 12 HB1 GLN 12 0.803 9.475 1.262 89 HG2 GLN 12 HG2 GLN 12 -1.487 11.392 0.901 90 HG3 GLN 12 HG1 GLN 12 0.229 11.799 0.920 91 HE21 GLN 12 HE21 GLN 12 -0.134 12.747 -1.154 92 HE22 GLN 12 HE22 GLN 12 -0.176 11.756 -2.569 93 H GLY 13 HN GLY 13 -0.521 8.926 3.671 94 HA2 GLY 13 HA2 GLY 13 -0.405 7.581 5.539 95 HA3 GLY 13 HA1 GLY 13 -1.285 6.349 4.641 96 H GLU 14 HN GLU 14 1.529 7.695 3.238 97 HA GLU 14 HA GLU 14 3.722 6.383 4.130 98 HB2 GLU 14 HB2 GLU 14 3.854 4.262 2.973 99 HB3 GLU 14 HB1 GLU 14 2.376 4.266 3.909 100 HG2 GLU 14 HG2 GLU 14 1.310 3.672 2.062 101 HG3 GLU 14 HG1 GLU 14 1.632 5.285 1.439 102 H ASP 15 HN ASP 15 1.735 7.244 1.435 103 HA ASP 15 HA ASP 15 3.580 7.282 -0.638 104 HB2 ASP 15 HB2 ASP 15 0.968 7.785 -0.467 105 HB3 ASP 15 HB1 ASP 15 1.548 9.448 -0.464 106 H CYS 16 HN CYS 16 2.535 10.064 1.357 107 HA CYS 16 HA CYS 16 4.984 11.077 2.018 108 HB2 CYS 16 HB2 CYS 16 5.786 11.379 -0.125 109 HB3 CYS 16 HB1 CYS 16 4.196 11.742 -0.784 110 H ASP 17 HN ASP 17 4.740 12.759 3.343 111 HA ASP 17 HA ASP 17 3.885 14.575 4.409 112 HB2 ASP 17 HB2 ASP 17 2.852 14.851 1.792 113 HB3 ASP 17 HB1 ASP 17 1.505 15.132 2.890 114 H CYS 18 HN CYS 18 3.140 11.869 4.984 115 HA CYS 18 HA CYS 18 0.691 11.019 5.403 116 HB2 CYS 18 HB2 CYS 18 3.107 10.802 6.902 117 HB3 CYS 18 HB1 CYS 18 1.766 10.951 8.038 118 H GLY 19 HN GLY 19 1.964 13.838 7.122 119 HA2 GLY 19 HA2 GLY 19 0.827 15.530 8.214 120 HA3 GLY 19 HA1 GLY 19 -0.633 14.911 7.475 121 H SER 20 HN SER 20 -1.428 12.784 8.487 122 HA SER 20 HA SER 20 -2.190 13.296 11.066 123 HB2 SER 20 HB2 SER 20 -3.169 11.198 11.117 124 HB3 SER 20 HB1 SER 20 -3.071 11.546 9.393 125 HG SER 20 HG SER 20 -2.264 9.522 9.606 126 HA PRO 21 HA PRO 21 1.835 12.891 13.000 127 HB2 PRO 21 HB2 PRO 21 0.667 13.317 15.533 128 HB3 PRO 21 HB1 PRO 21 1.454 14.523 14.515 129 HG2 PRO 21 HG2 PRO 21 -1.431 13.951 14.879 130 HG3 PRO 21 HG1 PRO 21 -0.626 15.478 14.481 131 HD2 PRO 21 HD2 PRO 21 -2.007 14.046 12.662 132 HD3 PRO 21 HD1 PRO 21 -0.587 15.009 12.237 133 H ALA 22 HN ALA 22 -1.124 11.188 13.750 134 HA ALA 22 HA ALA 22 -0.245 9.393 15.675 135 HB1 ALA 22 HB1 ALA 22 -2.131 8.822 13.388 136 HB2 ALA 22 HB2 ALA 22 -2.578 9.554 14.929 137 HB3 ALA 22 HB3 ALA 22 -1.993 7.891 14.880 138 H ASN 23 HN ASN 23 0.546 9.648 12.326 139 HA ASN 23 HA ASN 23 2.062 7.131 12.457 140 HB2 ASN 23 HB2 ASN 23 1.160 8.546 9.944 141 HB3 ASN 23 HB1 ASN 23 1.822 6.918 10.085 142 HD21 ASN 23 HD21 ASN 23 0.290 5.521 9.627 143 HD22 ASN 23 HD22 ASN 23 -1.336 5.565 10.210 144 H CYS 24 HN CYS 24 2.227 10.554 12.032 145 HA CYS 24 HA CYS 24 4.570 10.901 10.592 146 HB2 CYS 24 HB2 CYS 24 2.967 12.684 11.450 147 HB3 CYS 24 HB1 CYS 24 3.805 12.570 12.992 148 H GLN 25 HN GLN 25 6.135 9.389 11.041 149 HA GLN 25 HA GLN 25 8.023 8.586 12.027 150 HB2 GLN 25 HB2 GLN 25 7.695 10.736 14.121 151 HB3 GLN 25 HB1 GLN 25 9.172 9.892 13.674 152 HG2 GLN 25 HG2 GLN 25 7.883 11.306 11.463 153 HG3 GLN 25 HG1 GLN 25 8.431 12.348 12.775 154 HE21 GLN 25 HE21 GLN 25 9.411 12.046 10.022 155 HE22 GLN 25 HE22 GLN 25 11.090 11.665 10.162 156 H ASP 26 HN ASP 26 5.636 7.345 12.589 157 HA ASP 26 HA ASP 26 6.198 6.259 15.242 158 HB2 ASP 26 HB2 ASP 26 3.555 7.396 14.355 159 HB3 ASP 26 HB1 ASP 26 3.654 6.176 15.621 160 H ARG 27 HN ARG 27 3.513 5.818 12.948 161 HA ARG 27 HA ARG 27 3.500 3.032 13.148 162 HB2 ARG 27 HB2 ARG 27 1.556 4.212 12.356 163 HB3 ARG 27 HB1 ARG 27 2.441 4.841 10.975 164 HG2 ARG 27 HG2 ARG 27 1.756 3.106 9.786 165 HG3 ARG 27 HG1 ARG 27 2.667 2.039 10.856 166 HD2 ARG 27 HD2 ARG 27 -0.092 3.009 11.542 167 HD3 ARG 27 HD1 ARG 27 0.172 1.570 10.558 168 HE ARG 27 HE ARG 27 1.706 1.126 12.746 169 HH11 ARG 27 HH11 ARG 27 -1.650 1.974 12.302 170 HH12 ARG 27 HH12 ARG 27 -2.174 1.165 13.740 171 HH21 ARG 27 HH21 ARG 27 1.018 0.061 14.638 172 HH22 ARG 27 HH22 ARG 27 -0.660 0.079 15.066 173 H CYS 28 HN CYS 28 3.937 4.278 9.898 174 HA CYS 28 HA CYS 28 6.629 3.288 9.669 175 HB2 CYS 28 HB2 CYS 28 6.201 1.526 8.088 176 HB3 CYS 28 HB1 CYS 28 5.236 1.214 9.526 177 H CYS 29 HN CYS 29 5.022 5.744 9.190 178 HA CYS 29 HA CYS 29 5.836 6.148 6.394 179 HB2 CYS 29 HB2 CYS 29 3.884 7.345 5.857 180 HB3 CYS 29 HB1 CYS 29 3.308 5.939 6.743 181 H ASN 30 HN ASN 30 6.195 8.410 5.815 182 HA ASN 30 HA ASN 30 7.270 9.925 8.105 183 HB2 ASN 30 HB2 ASN 30 8.232 9.611 5.285 184 HB3 ASN 30 HB1 ASN 30 8.683 11.005 6.236 185 HD21 ASN 30 HD21 ASN 30 9.081 9.996 8.702 186 HD22 ASN 30 HD22 ASN 30 10.366 8.841 8.688 187 H ALA 31 HN ALA 31 5.688 11.246 8.608 188 HA ALA 31 HA ALA 31 4.213 12.727 6.607 189 HB1 ALA 31 HB1 ALA 31 3.975 12.222 9.467 190 HB2 ALA 31 HB2 ALA 31 2.729 12.605 8.291 191 HB3 ALA 31 HB3 ALA 31 3.650 13.899 9.046 192 H ALA 32 HN ALA 32 7.024 13.006 8.543 193 HA ALA 32 HA ALA 32 7.291 15.881 7.973 194 HB1 ALA 32 HB1 ALA 32 8.210 14.111 10.125 195 HB2 ALA 32 HB2 ALA 32 7.865 15.841 10.149 196 HB3 ALA 32 HB3 ALA 32 9.419 15.259 9.550 197 H THR 33 HN THR 33 8.125 12.935 6.702 198 HA THR 33 HA THR 33 10.557 14.038 5.497 199 HB THR 33 HB THR 33 10.468 11.138 5.453 200 HG1 THR 33 HG1 THR 33 9.398 11.820 7.569 201 HG21 THR 33 HG21 THR 33 12.409 12.906 6.871 202 HG22 THR 33 HG22 THR 33 12.453 12.647 5.125 203 HG23 THR 33 HG23 THR 33 12.667 11.286 6.227 204 H CYS 34 HN CYS 34 7.438 13.130 4.862 205 HA CYS 34 HA CYS 34 6.254 12.863 2.956 206 HB2 CYS 34 HB2 CYS 34 7.254 14.845 2.190 207 HB3 CYS 34 HB1 CYS 34 8.797 14.059 1.895 208 H LYS 35 HN LYS 35 7.330 10.455 3.881 209 HA LYS 35 HA LYS 35 7.016 8.846 1.610 210 HB2 LYS 35 HB2 LYS 35 9.518 9.925 1.580 211 HB3 LYS 35 HB1 LYS 35 9.796 8.381 2.374 212 HG2 LYS 35 HG2 LYS 35 10.145 8.076 0.041 213 HG3 LYS 35 HG1 LYS 35 8.637 7.268 0.474 214 HD2 LYS 35 HD2 LYS 35 8.183 8.413 -1.534 215 HD3 LYS 35 HD1 LYS 35 7.461 9.397 -0.260 216 HE2 LYS 35 HE2 LYS 35 8.567 10.927 -1.652 217 HE3 LYS 35 HE1 LYS 35 9.636 10.715 -0.266 218 HZ1 LYS 35 HZ1 LYS 35 11.203 9.720 -1.516 219 HZ2 LYS 35 HZ2 LYS 35 10.457 10.555 -2.784 220 HZ3 LYS 35 HZ3 LYS 35 10.088 8.927 -2.512 221 H LEU 36 HN LEU 36 6.779 6.713 2.054 222 HA LEU 36 HA LEU 36 6.332 5.918 4.696 223 HB2 LEU 36 HB2 LEU 36 5.945 3.743 3.858 224 HB3 LEU 36 HB1 LEU 36 5.397 4.861 2.627 225 HG LEU 36 HG LEU 36 7.942 3.250 2.581 226 HD11 LEU 36 HD11 LEU 36 5.915 3.111 0.439 227 HD12 LEU 36 HD12 LEU 36 5.463 2.401 1.991 228 HD13 LEU 36 HD13 LEU 36 6.909 1.839 1.149 229 HD21 LEU 36 HD21 LEU 36 8.235 4.224 0.318 230 HD22 LEU 36 HD22 LEU 36 8.386 5.412 1.613 231 HD23 LEU 36 HD23 LEU 36 6.905 5.333 0.657 232 H THR 37 HN THR 37 7.696 5.436 6.269 233 HA THR 37 HA THR 37 10.430 5.621 6.100 234 HB THR 37 HB THR 37 10.411 4.278 8.285 235 HG1 THR 37 HG1 THR 37 8.616 3.185 8.456 236 HG21 THR 37 HG21 THR 37 8.881 6.124 9.367 237 HG22 THR 37 HG22 THR 37 9.049 6.852 7.768 238 HG23 THR 37 HG23 THR 37 10.484 6.494 8.731 239 HA PRO 38 HA PRO 38 12.347 2.088 4.351 240 HB2 PRO 38 HB2 PRO 38 13.848 1.993 6.938 241 HB3 PRO 38 HB1 PRO 38 14.464 1.927 5.281 242 HG2 PRO 38 HG2 PRO 38 14.664 4.166 6.674 243 HG3 PRO 38 HG1 PRO 38 14.203 4.221 4.961 244 HD2 PRO 38 HD2 PRO 38 12.509 4.566 7.393 245 HD3 PRO 38 HD1 PRO 38 12.394 5.367 5.813 246 H GLY 39 HN GLY 39 12.239 -0.130 4.406 247 HA2 GLY 39 HA2 GLY 39 11.901 -2.246 5.390 248 HA3 GLY 39 HA1 GLY 39 11.329 -1.451 6.849 249 H SER 40 HN SER 40 9.493 0.299 5.381 250 HA SER 40 HA SER 40 7.334 -1.630 5.078 251 HB2 SER 40 HB2 SER 40 6.773 0.188 6.510 252 HB3 SER 40 HB1 SER 40 7.391 1.376 5.362 253 HG SER 40 HG SER 40 5.540 1.346 4.374 254 H GLN 41 HN GLN 41 6.713 -2.328 3.149 255 HA GLN 41 HA GLN 41 7.783 -1.232 0.739 256 HB2 GLN 41 HB2 GLN 41 5.481 -3.171 0.904 257 HB3 GLN 41 HB1 GLN 41 6.661 -2.991 -0.387 258 HG2 GLN 41 HG2 GLN 41 7.133 -4.114 2.362 259 HG3 GLN 41 HG1 GLN 41 7.139 -4.990 0.832 260 HE21 GLN 41 HE21 GLN 41 9.118 -5.563 0.319 261 HE22 GLN 41 HE22 GLN 41 10.541 -4.600 0.498 262 H CYS 42 HN CYS 42 4.573 -1.277 2.232 263 HA CYS 42 HA CYS 42 3.870 1.251 1.143 264 HB2 CYS 42 HB2 CYS 42 2.139 0.616 -0.393 265 HB3 CYS 42 HB1 CYS 42 3.609 -0.222 -0.875 266 H ASN 43 HN ASN 43 1.709 1.923 1.788 267 HA ASN 43 HA ASN 43 0.782 0.417 4.133 268 HB2 ASN 43 HB2 ASN 43 1.596 2.743 4.558 269 HB3 ASN 43 HB1 ASN 43 0.290 3.341 3.538 270 HD21 ASN 43 HD21 ASN 43 1.206 2.396 6.637 271 HD22 ASN 43 HD22 ASN 43 -0.354 2.432 7.380 272 H TYR 44 HN TYR 44 -0.115 1.814 1.079 273 HA TYR 44 HA TYR 44 -2.731 0.501 1.297 274 HB2 TYR 44 HB2 TYR 44 -3.955 2.342 0.656 275 HB3 TYR 44 HB1 TYR 44 -2.686 3.133 1.581 276 HD1 TYR 44 HD1 TYR 44 -3.731 2.259 -1.877 277 HD2 TYR 44 HD2 TYR 44 -1.299 4.745 0.573 278 HE1 TYR 44 HE1 TYR 44 -3.179 3.638 -3.834 279 HE2 TYR 44 HE2 TYR 44 -0.739 6.132 -1.378 280 HH TYR 44 HH TYR 44 -0.674 5.673 -4.004 281 H GLY 45 HN GLY 45 -3.544 -0.351 -0.641 282 HA2 GLY 45 HA2 GLY 45 -3.022 -0.019 -3.205 283 HA3 GLY 45 HA1 GLY 45 -1.501 -0.734 -2.696 284 H GLU 46 HN GLU 46 -3.070 -1.929 -4.625 285 HA GLU 46 HA GLU 46 -4.899 -3.844 -3.743 286 HB2 GLU 46 HB2 GLU 46 -3.147 -3.532 -6.127 287 HB3 GLU 46 HB1 GLU 46 -3.843 -5.121 -5.841 288 HG2 GLU 46 HG2 GLU 46 -5.912 -4.465 -6.405 289 HG3 GLU 46 HG1 GLU 46 -5.733 -2.885 -5.644 290 H CYS 47 HN CYS 47 -1.393 -4.053 -4.151 291 HA CYS 47 HA CYS 47 -1.383 -6.669 -2.826 292 HB2 CYS 47 HB2 CYS 47 -0.136 -6.142 -5.043 293 HB3 CYS 47 HB1 CYS 47 1.024 -5.311 -4.014 294 H CYS 48 HN CYS 48 -1.963 -4.365 -1.278 295 HA CYS 48 HA CYS 48 0.503 -3.965 0.259 296 HB2 CYS 48 HB2 CYS 48 -1.207 -2.102 -0.714 297 HB3 CYS 48 HB1 CYS 48 -1.885 -2.347 0.892 298 H ASP 49 HN ASP 49 0.578 -4.339 2.448 299 HA ASP 49 HA ASP 49 -1.714 -5.060 3.973 300 HB2 ASP 49 HB2 ASP 49 -1.168 -7.390 4.410 301 HB3 ASP 49 HB1 ASP 49 -1.424 -7.146 2.686 302 H GLN 50 HN GLN 50 -1.225 -3.978 5.723 303 HA GLN 50 HA GLN 50 -0.038 -3.013 7.424 304 HB2 GLN 50 HB2 GLN 50 1.195 -4.709 8.819 305 HB3 GLN 50 HB1 GLN 50 -0.480 -5.101 8.457 306 HG2 GLN 50 HG2 GLN 50 0.197 -6.673 6.773 307 HG3 GLN 50 HG1 GLN 50 1.886 -6.203 6.960 308 HE21 GLN 50 HE21 GLN 50 2.484 -6.262 9.460 309 HE22 GLN 50 HE22 GLN 50 2.131 -7.776 10.214 310 H CYS 51 HN CYS 51 1.230 -1.670 5.987 311 HA CYS 51 HA CYS 51 3.159 -0.828 5.095 312 HB2 CYS 51 HB2 CYS 51 4.377 -2.082 7.557 313 HB3 CYS 51 HB1 CYS 51 4.985 -0.691 6.666 314 H ARG 52 HN ARG 52 2.540 -3.601 4.234 315 HA ARG 52 HA ARG 52 5.173 -4.194 3.153 316 HB2 ARG 52 HB2 ARG 52 4.521 -5.543 5.382 317 HB3 ARG 52 HB1 ARG 52 3.743 -6.576 4.191 318 HG2 ARG 52 HG2 ARG 52 5.680 -7.460 3.568 319 HG3 ARG 52 HG1 ARG 52 6.421 -5.871 3.374 320 HD2 ARG 52 HD2 ARG 52 6.009 -7.071 6.090 321 HD3 ARG 52 HD1 ARG 52 7.413 -7.495 5.113 322 HE ARG 52 HE ARG 52 7.431 -4.785 5.104 323 HH11 ARG 52 HH11 ARG 52 7.302 -7.179 7.640 324 HH12 ARG 52 HH12 ARG 52 8.131 -6.186 8.791 325 HH21 ARG 52 HH21 ARG 52 8.522 -3.478 6.617 326 HH22 ARG 52 HH22 ARG 52 8.823 -4.085 8.211 327 H PHE 53 HN PHE 53 4.934 -6.233 1.640 328 HA PHE 53 HA PHE 53 2.598 -5.693 -0.042 329 HB2 PHE 53 HB2 PHE 53 5.290 -6.921 -0.600 330 HB3 PHE 53 HB1 PHE 53 3.947 -7.129 -1.720 331 HD1 PHE 53 HD1 PHE 53 2.762 -4.333 -1.251 332 HD2 PHE 53 HD2 PHE 53 6.702 -5.710 -2.073 333 HE1 PHE 53 HE1 PHE 53 3.285 -2.186 -2.299 334 HE2 PHE 53 HE2 PHE 53 7.238 -3.550 -3.123 335 HZ PHE 53 HZ PHE 53 5.527 -1.781 -3.237 336 H LYS 54 HN LYS 54 1.122 -7.228 -0.587 337 HA LYS 54 HA LYS 54 0.831 -9.465 1.121 338 HB2 LYS 54 HB2 LYS 54 -0.646 -8.243 -1.076 339 HB3 LYS 54 HB1 LYS 54 -0.744 -9.998 -1.108 340 HG2 LYS 54 HG2 LYS 54 -1.932 -10.108 0.825 341 HG3 LYS 54 HG1 LYS 54 -1.199 -8.646 1.487 342 HD2 LYS 54 HD2 LYS 54 -2.548 -7.256 0.069 343 HD3 LYS 54 HD1 LYS 54 -3.172 -8.664 -0.792 344 HE2 LYS 54 HE2 LYS 54 -4.278 -9.435 1.231 345 HE3 LYS 54 HE1 LYS 54 -3.609 -8.076 2.134 346 HZ1 LYS 54 HZ1 LYS 54 -5.180 -7.474 -0.256 347 HZ2 LYS 54 HZ2 LYS 54 -5.056 -6.620 1.198 348 HZ3 LYS 54 HZ3 LYS 54 -6.018 -8.008 1.113 349 H LYS 55 HN LYS 55 2.219 -11.108 1.086 350 HA LYS 55 HA LYS 55 4.075 -11.888 -0.654 351 HB2 LYS 55 HB2 LYS 55 3.578 -13.002 1.512 352 HB3 LYS 55 HB1 LYS 55 2.254 -13.859 0.735 353 HG2 LYS 55 HG2 LYS 55 3.962 -15.411 0.699 354 HG3 LYS 55 HG1 LYS 55 4.061 -14.691 -0.909 355 HD2 LYS 55 HD2 LYS 55 6.282 -14.787 -0.131 356 HD3 LYS 55 HD1 LYS 55 5.788 -13.105 0.076 357 HE2 LYS 55 HE2 LYS 55 5.628 -13.302 2.380 358 HE3 LYS 55 HE1 LYS 55 5.457 -15.056 2.318 359 HZ1 LYS 55 HZ1 LYS 55 7.963 -13.875 1.368 360 HZ2 LYS 55 HZ2 LYS 55 7.692 -15.361 2.129 361 HZ3 LYS 55 HZ3 LYS 55 7.695 -13.935 3.038 362 H ALA 56 HN ALA 56 4.262 -12.651 -2.656 363 HA ALA 56 HA ALA 56 2.354 -12.621 -4.552 364 HB1 ALA 56 HB1 ALA 56 3.756 -14.535 -5.658 365 HB2 ALA 56 HB2 ALA 56 4.854 -14.220 -4.312 366 HB3 ALA 56 HB3 ALA 56 4.445 -12.926 -5.438 367 H GLY 57 HN GLY 57 0.813 -13.938 -5.362 368 HA2 GLY 57 HA2 GLY 57 -0.225 -16.122 -5.586 369 HA3 GLY 57 HA1 GLY 57 0.384 -16.517 -3.982 370 H THR 58 HN THR 58 -0.424 -13.570 -3.349 371 HA THR 58 HA THR 58 -3.006 -14.251 -2.270 372 HB THR 58 HB THR 58 -1.426 -11.666 -2.239 373 HG1 THR 58 HG1 THR 58 -1.787 -13.725 -0.325 374 HG21 THR 58 HG21 THR 58 -3.076 -10.619 -1.222 375 HG22 THR 58 HG22 THR 58 -3.324 -11.964 -0.106 376 HG23 THR 58 HG23 THR 58 -4.126 -11.966 -1.679 377 H VAL 59 HN VAL 59 -4.760 -14.209 -3.545 378 HA VAL 59 HA VAL 59 -4.841 -12.816 -6.005 379 HB VAL 59 HB VAL 59 -6.168 -14.849 -5.630 380 HG11 VAL 59 HG11 VAL 59 -8.290 -13.462 -4.143 381 HG12 VAL 59 HG12 VAL 59 -6.822 -13.805 -3.228 382 HG13 VAL 59 HG13 VAL 59 -7.703 -15.119 -4.008 383 HG21 VAL 59 HG21 VAL 59 -7.245 -13.988 -7.384 384 HG22 VAL 59 HG22 VAL 59 -7.221 -12.361 -6.705 385 HG23 VAL 59 HG23 VAL 59 -8.488 -13.494 -6.236 386 H CYS 60 HN CYS 60 -5.196 -10.732 -6.360 387 HA CYS 60 HA CYS 60 -6.604 -9.173 -4.296 388 HB2 CYS 60 HB2 CYS 60 -4.970 -7.967 -6.508 389 HB3 CYS 60 HB1 CYS 60 -5.407 -7.264 -4.956 390 H ARG 61 HN ARG 61 -6.806 -10.289 -7.536 391 HA ARG 61 HA ARG 61 -9.384 -9.000 -7.855 392 HB2 ARG 61 HB2 ARG 61 -7.049 -7.913 -9.077 393 HB3 ARG 61 HB1 ARG 61 -8.046 -8.608 -10.347 394 HG2 ARG 61 HG2 ARG 61 -9.929 -7.281 -8.978 395 HG3 ARG 61 HG1 ARG 61 -8.531 -6.272 -8.615 396 HD2 ARG 61 HD2 ARG 61 -9.858 -6.823 -11.231 397 HD3 ARG 61 HD1 ARG 61 -9.331 -5.290 -10.544 398 HE ARG 61 HE ARG 61 -7.863 -6.908 -12.310 399 HH11 ARG 61 HH11 ARG 61 -7.421 -4.987 -9.426 400 HH12 ARG 61 HH12 ARG 61 -5.743 -4.694 -9.732 401 HH21 ARG 61 HH21 ARG 61 -5.660 -6.525 -12.707 402 HH22 ARG 61 HH22 ARG 61 -4.743 -5.563 -11.596 403 H ILE 62 HN ILE 62 -10.127 -9.572 -10.281 404 HA ILE 62 HA ILE 62 -9.276 -11.915 -11.508 405 HB ILE 62 HB ILE 62 -9.932 -13.116 -9.518 406 HG12 ILE 62 HG12 ILE 62 -11.629 -14.649 -10.474 407 HG13 ILE 62 HG11 ILE 62 -11.958 -13.469 -11.737 408 HG21 ILE 62 HG21 ILE 62 -11.674 -11.232 -8.973 409 HG22 ILE 62 HG22 ILE 62 -11.905 -12.878 -8.380 410 HG23 ILE 62 HG23 ILE 62 -12.784 -12.321 -9.807 411 HD11 ILE 62 HD11 ILE 62 -9.535 -13.676 -12.390 412 HD12 ILE 62 HD12 ILE 62 -10.544 -15.093 -12.682 413 HD13 ILE 62 HD13 ILE 62 -9.453 -15.058 -11.297 414 H ALA 63 HN ALA 63 -10.270 -12.100 -13.424 415 HA ALA 63 HA ALA 63 -12.002 -10.059 -14.266 416 HB1 ALA 63 HB1 ALA 63 -11.182 -10.702 -16.213 417 HB2 ALA 63 HB2 ALA 63 -12.183 -12.148 -16.143 418 HB3 ALA 63 HB3 ALA 63 -10.543 -12.178 -15.494 419 H ARG 64 HN ARG 64 -13.069 -13.281 -15.141 420 HA ARG 64 HA ARG 64 -15.394 -13.046 -13.393 421 HB2 ARG 64 HB2 ARG 64 -15.645 -12.082 -15.884 422 HB3 ARG 64 HB1 ARG 64 -15.992 -13.775 -16.208 423 HG2 ARG 64 HG2 ARG 64 -18.054 -12.638 -15.823 424 HG3 ARG 64 HG1 ARG 64 -17.739 -13.696 -14.445 425 HD2 ARG 64 HD2 ARG 64 -16.557 -11.425 -13.595 426 HD3 ARG 64 HD1 ARG 64 -17.840 -10.753 -14.600 427 HE ARG 64 HE ARG 64 -18.134 -12.074 -12.071 428 HH11 ARG 64 HH11 ARG 64 -19.726 -11.302 -15.079 429 HH12 ARG 64 HH12 ARG 64 -21.319 -11.421 -14.412 430 HH21 ARG 64 HH21 ARG 64 -20.229 -12.233 -11.191 431 HH22 ARG 64 HH22 ARG 64 -21.605 -11.949 -12.205 432 H GLY 65 HN GLY 65 -14.498 -14.877 -12.310 433 HA2 GLY 65 HA2 GLY 65 -15.339 -17.240 -12.270 434 HA3 GLY 65 HA1 GLY 65 -14.660 -17.368 -13.887 435 H ASP 66 HN ASP 66 -12.595 -17.941 -14.127 436 HA ASP 66 HA ASP 66 -10.500 -17.436 -12.386 437 HB2 ASP 66 HB2 ASP 66 -10.188 -19.777 -11.444 438 HB3 ASP 66 HB1 ASP 66 -11.477 -18.821 -10.720 439 H TRP 67 HN TRP 67 -9.440 -17.112 -14.289 440 HA TRP 67 HA TRP 67 -8.773 -19.528 -15.843 441 HB2 TRP 67 HB2 TRP 67 -8.190 -17.268 -17.423 442 HB3 TRP 67 HB1 TRP 67 -9.481 -18.436 -17.671 443 HD1 TRP 67 HD1 TRP 67 -8.996 -15.175 -15.562 444 HE1 TRP 67 HE1 TRP 67 -11.210 -13.898 -15.610 445 HE3 TRP 67 HE3 TRP 67 -11.768 -18.463 -18.317 446 HZ2 TRP 67 HZ2 TRP 67 -13.792 -14.217 -16.684 447 HZ3 TRP 67 HZ3 TRP 67 -14.112 -17.895 -18.820 448 HH2 TRP 67 HH2 TRP 67 -15.103 -15.812 -18.017 449 H ASN 68 HN ASN 68 -7.558 -16.242 -15.528 450 HA ASN 68 HA ASN 68 -4.832 -17.275 -15.172 451 HB2 ASN 68 HB2 ASN 68 -5.415 -14.397 -15.728 452 HB3 ASN 68 HB1 ASN 68 -4.021 -15.365 -16.200 453 HD21 ASN 68 HD21 ASN 68 -7.481 -14.937 -16.809 454 HD22 ASN 68 HD22 ASN 68 -7.428 -15.406 -18.470 455 H ASP 69 HN ASP 69 -7.342 -15.276 -13.837 456 HA ASP 69 HA ASP 69 -7.659 -14.351 -11.793 457 HB2 ASP 69 HB2 ASP 69 -5.537 -16.368 -11.221 458 HB3 ASP 69 HB1 ASP 69 -6.018 -15.228 -9.972 459 H ASP 70 HN ASP 70 -6.568 -13.108 -10.026 460 HA ASP 70 HA ASP 70 -4.291 -11.597 -11.100 461 HB2 ASP 70 HB2 ASP 70 -6.472 -10.328 -11.017 462 HB3 ASP 70 HB1 ASP 70 -6.443 -10.531 -9.271 463 H TYR 71 HN TYR 71 -2.499 -11.893 -9.927 464 HA TYR 71 HA TYR 71 -2.859 -12.416 -7.060 465 HB2 TYR 71 HB2 TYR 71 -1.325 -14.008 -9.070 466 HB3 TYR 71 HB1 TYR 71 -0.893 -14.043 -7.360 467 HD1 TYR 71 HD2 TYR 71 -2.734 -14.585 -5.714 468 HD2 TYR 71 HD1 TYR 71 -3.044 -15.383 -9.868 469 HE1 TYR 71 HE2 TYR 71 -4.484 -16.220 -5.239 470 HE2 TYR 71 HE1 TYR 71 -4.811 -17.025 -9.437 471 HH TYR 71 HH TYR 71 -5.357 -18.509 -6.866 472 H CYS 72 HN CYS 72 -1.358 -11.799 -5.677 473 HA CYS 72 HA CYS 72 0.203 -9.541 -6.229 474 HB2 CYS 72 HB2 CYS 72 -0.295 -11.348 -3.972 475 HB3 CYS 72 HB1 CYS 72 1.310 -10.622 -3.957 476 H THR 73 HN THR 73 2.555 -9.359 -6.011 477 HA THR 73 HA THR 73 3.953 -11.762 -6.986 478 HB THR 73 HB THR 73 5.250 -10.462 -8.480 479 HG1 THR 73 HG1 THR 73 5.705 -8.666 -7.268 480 HG21 THR 73 HG21 THR 73 3.681 -10.120 -10.004 481 HG22 THR 73 HG22 THR 73 2.955 -8.815 -9.067 482 HG23 THR 73 HG23 THR 73 2.498 -10.489 -8.749 483 H GLY 74 HN GLY 74 3.654 -9.750 -4.416 484 HA2 GLY 74 HA2 GLY 74 4.959 -9.273 -2.594 485 HA3 GLY 74 HA1 GLY 74 5.894 -10.686 -3.056 486 H LYS 75 HN LYS 75 5.638 -8.067 -5.304 487 HA LYS 75 HA LYS 75 8.259 -7.037 -4.485 488 HB2 LYS 75 HB2 LYS 75 7.583 -7.699 -7.350 489 HB3 LYS 75 HB1 LYS 75 9.128 -7.144 -6.721 490 HG2 LYS 75 HG2 LYS 75 8.545 -9.455 -5.275 491 HG3 LYS 75 HG1 LYS 75 8.089 -9.818 -6.940 492 HD2 LYS 75 HD2 LYS 75 10.293 -9.148 -7.712 493 HD3 LYS 75 HD1 LYS 75 10.751 -8.699 -6.068 494 HE2 LYS 75 HE2 LYS 75 10.062 -11.464 -7.055 495 HE3 LYS 75 HE1 LYS 75 11.666 -10.873 -6.622 496 HZ1 LYS 75 HZ1 LYS 75 9.361 -11.341 -4.820 497 HZ2 LYS 75 HZ2 LYS 75 10.733 -10.474 -4.344 498 HZ3 LYS 75 HZ3 LYS 75 10.873 -12.099 -4.790 499 H SER 76 HN SER 76 5.213 -6.211 -4.816 500 HA SER 76 HA SER 76 5.703 -3.461 -5.115 501 HB2 SER 76 HB2 SER 76 6.032 -3.874 -7.459 502 HB3 SER 76 HB1 SER 76 4.566 -4.850 -7.547 503 HG SER 76 HG SER 76 4.863 -2.153 -7.707 504 H SER 77 HN SER 77 3.585 -2.216 -5.382 505 HA SER 77 HA SER 77 1.606 -3.476 -3.660 506 HB2 SER 77 HB2 SER 77 0.724 -0.893 -4.308 507 HB3 SER 77 HB1 SER 77 1.544 -1.392 -2.829 508 HG SER 77 HG SER 77 2.463 0.372 -4.307 509 H ASP 78 HN ASP 78 2.074 -3.800 -6.767 510 HA ASP 78 HA ASP 78 -0.726 -3.358 -7.550 511 HB2 ASP 78 HB2 ASP 78 1.831 -3.484 -9.125 512 HB3 ASP 78 HB1 ASP 78 0.279 -3.766 -9.909 513 H CYS 79 HN CYS 79 -1.936 -4.997 -8.419 514 HA CYS 79 HA CYS 79 -0.777 -7.706 -8.254 515 HB2 CYS 79 HB2 CYS 79 -2.906 -6.627 -6.777 516 HB3 CYS 79 HB1 CYS 79 -3.658 -7.669 -7.979 517 HA PRO 80 HA PRO 80 -2.016 -7.397 -12.622 518 HB2 PRO 80 HB2 PRO 80 -0.537 -9.489 -13.483 519 HB3 PRO 80 HB1 PRO 80 0.168 -7.902 -13.157 520 HG2 PRO 80 HG2 PRO 80 0.134 -10.348 -11.427 521 HG3 PRO 80 HG1 PRO 80 1.476 -9.240 -11.769 522 HD2 PRO 80 HD2 PRO 80 0.015 -9.102 -9.492 523 HD3 PRO 80 HD1 PRO 80 0.731 -7.670 -10.256 524 H TRP 81 HN TRP 81 -3.840 -8.218 -13.404 525 HA TRP 81 HA TRP 81 -4.881 -10.714 -12.341 526 HB2 TRP 81 HB2 TRP 81 -6.998 -10.079 -13.418 527 HB3 TRP 81 HB1 TRP 81 -6.408 -8.863 -12.298 528 HD1 TRP 81 HD1 TRP 81 -4.318 -8.038 -15.041 529 HE1 TRP 81 HE1 TRP 81 -5.387 -6.292 -16.598 530 HE3 TRP 81 HE3 TRP 81 -9.143 -8.503 -13.541 531 HZ2 TRP 81 HZ2 TRP 81 -7.964 -5.251 -17.109 532 HZ3 TRP 81 HZ3 TRP 81 -10.875 -7.103 -14.605 533 HH2 TRP 81 HH2 TRP 81 -10.289 -5.509 -16.362 534 H ASN 82 HN ASN 82 -3.319 -9.636 -15.085 535 HA ASN 82 HA ASN 82 -2.706 -10.607 -17.047 536 HB2 ASN 82 HB2 ASN 82 -3.468 -12.942 -15.355 537 HB3 ASN 82 HB1 ASN 82 -3.227 -13.215 -17.077 538 HD21 ASN 82 HD21 ASN 82 -1.707 -11.938 -14.171 539 HD22 ASN 82 HD22 ASN 82 -0.081 -12.250 -14.665 540 H HIS 83 HN HIS 83 -5.153 -9.313 -17.024 541 HA HIS 83 HA HIS 83 -6.620 -10.877 -19.031 542 HB2 HIS 83 HB2 HIS 83 -8.005 -9.159 -16.971 543 HB3 HIS 83 HB1 HIS 83 -8.742 -10.274 -18.118 544 HD1 HIS 83 HD1 HIS 83 -8.616 -10.197 -14.781 545 HD2 HIS 83 HD2 HIS 83 -6.992 -12.943 -17.436 546 HE1 HIS 83 HE1 HIS 83 -8.300 -12.309 -13.455 547 HE2 HIS 83 HE2 HIS 83 -7.205 -13.914 -15.055 Start of MODEL 27 1 H1 SER 1 HT1 SER 1 -3.904 11.441 17.633 2 H2 SER 1 HT2 SER 1 -4.330 12.825 16.714 3 H3 SER 1 HT3 SER 1 -5.510 12.035 17.677 4 HA SER 1 HA SER 1 -5.062 13.636 19.093 5 HB2 SER 1 HB2 SER 1 -3.327 11.327 19.480 6 HB3 SER 1 HB1 SER 1 -2.673 12.775 20.245 7 HG SER 1 HG SER 1 -4.869 13.016 21.147 8 HA PRO 2 HA PRO 2 -0.809 15.555 18.003 9 HB2 PRO 2 HB2 PRO 2 0.477 14.043 15.918 10 HB3 PRO 2 HB1 PRO 2 1.021 14.302 17.575 11 HG2 PRO 2 HG2 PRO 2 0.207 11.875 16.571 12 HG3 PRO 2 HG1 PRO 2 0.187 12.308 18.289 13 HD2 PRO 2 HD2 PRO 2 -2.058 12.270 16.313 14 HD3 PRO 2 HD1 PRO 2 -2.051 11.803 18.027 15 HA PRO 3 HA PRO 3 -2.022 17.631 14.297 16 HB2 PRO 3 HB2 PRO 3 0.158 19.005 13.565 17 HB3 PRO 3 HB1 PRO 3 -0.699 19.362 15.070 18 HG2 PRO 3 HG2 PRO 3 1.810 17.788 14.646 19 HG3 PRO 3 HG1 PRO 3 1.432 18.971 15.911 20 HD2 PRO 3 HD2 PRO 3 1.286 16.251 16.258 21 HD3 PRO 3 HD1 PRO 3 0.340 17.423 17.196 22 H VAL 4 HN VAL 4 -2.403 16.981 12.277 23 HA VAL 4 HA VAL 4 -1.157 14.904 11.028 24 HB VAL 4 HB VAL 4 -3.422 15.684 10.563 25 HG11 VAL 4 HG11 VAL 4 -3.968 17.710 9.603 26 HG12 VAL 4 HG12 VAL 4 -2.346 17.963 8.960 27 HG13 VAL 4 HG13 VAL 4 -2.647 18.148 10.686 28 HG21 VAL 4 HG21 VAL 4 -3.267 15.744 8.050 29 HG22 VAL 4 HG22 VAL 4 -2.600 14.337 8.859 30 HG23 VAL 4 HG23 VAL 4 -1.527 15.602 8.252 31 H CYS 5 HN CYS 5 1.067 15.231 11.046 32 HA CYS 5 HA CYS 5 2.305 17.556 9.980 33 HB2 CYS 5 HB2 CYS 5 4.004 15.199 9.781 34 HB3 CYS 5 HB1 CYS 5 4.219 16.647 10.746 35 H GLY 6 HN GLY 6 1.615 18.064 7.989 36 HA2 GLY 6 HA2 GLY 6 2.222 17.935 5.661 37 HA3 GLY 6 HA1 GLY 6 2.307 16.187 5.827 38 H ASN 7 HN ASN 7 -0.356 17.413 7.483 39 HA ASN 7 HA ASN 7 -2.599 17.330 7.155 40 HB2 ASN 7 HB2 ASN 7 -1.549 18.326 4.560 41 HB3 ASN 7 HB1 ASN 7 -3.193 17.691 4.531 42 HD21 ASN 7 HD21 ASN 7 -3.807 19.870 4.010 43 HD22 ASN 7 HD22 ASN 7 -3.994 21.035 5.272 44 H LYS 8 HN LYS 8 -4.225 15.850 6.638 45 HA LYS 8 HA LYS 8 -3.499 13.210 6.262 46 HB2 LYS 8 HB2 LYS 8 -5.756 14.290 7.046 47 HB3 LYS 8 HB1 LYS 8 -6.188 14.169 5.346 48 HG2 LYS 8 HG2 LYS 8 -5.408 11.901 7.164 49 HG3 LYS 8 HG1 LYS 8 -7.022 12.254 6.543 50 HD2 LYS 8 HD2 LYS 8 -5.787 12.082 4.217 51 HD3 LYS 8 HD1 LYS 8 -4.653 11.103 5.150 52 HE2 LYS 8 HE2 LYS 8 -6.153 9.426 5.472 53 HE3 LYS 8 HE1 LYS 8 -7.535 10.520 5.495 54 HZ1 LYS 8 HZ1 LYS 8 -6.065 10.069 2.985 55 HZ2 LYS 8 HZ2 LYS 8 -7.677 10.529 3.211 56 HZ3 LYS 8 HZ3 LYS 8 -7.205 8.932 3.506 57 H ILE 9 HN ILE 9 -2.254 12.674 4.550 58 HA ILE 9 HA ILE 9 -2.195 13.729 2.040 59 HB ILE 9 HB ILE 9 -1.570 11.477 1.128 60 HG12 ILE 9 HG12 ILE 9 -1.037 9.781 2.967 61 HG13 ILE 9 HG11 ILE 9 -2.199 10.666 3.952 62 HG21 ILE 9 HG21 ILE 9 0.075 11.825 3.545 63 HG22 ILE 9 HG22 ILE 9 -0.139 13.244 2.520 64 HG23 ILE 9 HG23 ILE 9 0.544 11.766 1.848 65 HD11 ILE 9 HD11 ILE 9 -2.715 8.610 2.137 66 HD12 ILE 9 HD12 ILE 9 -3.316 10.079 1.376 67 HD13 ILE 9 HD13 ILE 9 -3.889 9.619 2.978 68 H LEU 10 HN LEU 10 -3.398 13.817 0.289 69 HA LEU 10 HA LEU 10 -5.998 12.499 0.379 70 HB2 LEU 10 HB2 LEU 10 -6.569 14.129 -1.458 71 HB3 LEU 10 HB1 LEU 10 -6.217 14.833 0.110 72 HG LEU 10 HG LEU 10 -5.271 15.956 -2.015 73 HD11 LEU 10 HD11 LEU 10 -2.994 15.687 -0.242 74 HD12 LEU 10 HD12 LEU 10 -4.506 15.925 0.634 75 HD13 LEU 10 HD13 LEU 10 -4.002 17.091 -0.589 76 HD21 LEU 10 HD21 LEU 10 -4.322 13.877 -2.964 77 HD22 LEU 10 HD22 LEU 10 -3.169 13.830 -1.631 78 HD23 LEU 10 HD23 LEU 10 -3.134 15.167 -2.781 79 H GLU 11 HN GLU 11 -3.193 11.608 -0.602 80 HA GLU 11 HA GLU 11 -3.945 9.614 -2.349 81 HB2 GLU 11 HB2 GLU 11 -3.250 10.369 -4.527 82 HB3 GLU 11 HB1 GLU 11 -4.441 11.505 -3.914 83 HG2 GLU 11 HG2 GLU 11 -2.257 12.747 -3.063 84 HG3 GLU 11 HG1 GLU 11 -1.547 11.870 -4.417 85 H GLN 12 HN GLN 12 -2.138 10.120 -0.158 86 HA GLN 12 HA GLN 12 0.171 8.792 -1.198 87 HB2 GLN 12 HB2 GLN 12 1.622 10.722 -0.008 88 HB3 GLN 12 HB1 GLN 12 1.268 10.699 -1.727 89 HG2 GLN 12 HG2 GLN 12 -0.869 12.027 -0.414 90 HG3 GLN 12 HG1 GLN 12 0.649 12.690 0.186 91 HE21 GLN 12 HE21 GLN 12 -1.198 14.131 -1.340 92 HE22 GLN 12 HE22 GLN 12 -0.466 14.525 -2.854 93 H GLY 13 HN GLY 13 -1.260 7.559 0.513 94 HA2 GLY 13 HA2 GLY 13 -1.242 8.000 3.220 95 HA3 GLY 13 HA1 GLY 13 -1.108 6.404 2.505 96 H GLU 14 HN GLU 14 1.469 7.278 1.236 97 HA GLU 14 HA GLU 14 3.371 7.831 3.287 98 HB2 GLU 14 HB2 GLU 14 4.395 5.706 3.519 99 HB3 GLU 14 HB1 GLU 14 2.680 5.419 3.743 100 HG2 GLU 14 HG2 GLU 14 4.368 4.765 1.349 101 HG3 GLU 14 HG1 GLU 14 3.471 3.663 2.389 102 H ASP 15 HN ASP 15 2.409 8.485 0.594 103 HA ASP 15 HA ASP 15 4.776 7.979 -1.032 104 HB2 ASP 15 HB2 ASP 15 2.659 7.421 -2.077 105 HB3 ASP 15 HB1 ASP 15 2.001 9.000 -1.679 106 H CYS 16 HN CYS 16 4.529 9.819 1.303 107 HA CYS 16 HA CYS 16 5.833 11.723 1.675 108 HB2 CYS 16 HB2 CYS 16 6.325 11.639 -0.839 109 HB3 CYS 16 HB1 CYS 16 5.009 12.795 -1.000 110 H ASP 17 HN ASP 17 4.887 12.880 3.141 111 HA ASP 17 HA ASP 17 3.670 14.664 3.968 112 HB2 ASP 17 HB2 ASP 17 2.951 14.950 1.377 113 HB3 ASP 17 HB1 ASP 17 1.411 14.452 2.072 114 H CYS 18 HN CYS 18 3.463 11.778 4.459 115 HA CYS 18 HA CYS 18 1.251 10.455 4.821 116 HB2 CYS 18 HB2 CYS 18 2.897 11.183 7.250 117 HB3 CYS 18 HB1 CYS 18 1.883 9.763 7.066 118 H GLY 19 HN GLY 19 1.856 13.322 6.866 119 HA2 GLY 19 HA2 GLY 19 0.359 14.749 7.917 120 HA3 GLY 19 HA1 GLY 19 -0.876 14.099 6.852 121 H SER 20 HN SER 20 -1.484 11.706 7.480 122 HA SER 20 HA SER 20 -2.786 11.818 9.895 123 HB2 SER 20 HB2 SER 20 -3.118 9.417 9.721 124 HB3 SER 20 HB1 SER 20 -3.310 10.179 8.143 125 HG SER 20 HG SER 20 -1.662 9.080 7.431 126 HA PRO 21 HA PRO 21 0.854 11.866 12.496 127 HB2 PRO 21 HB2 PRO 21 -1.343 11.828 14.517 128 HB3 PRO 21 HB1 PRO 21 0.074 12.880 14.415 129 HG2 PRO 21 HG2 PRO 21 -2.330 13.785 13.719 130 HG3 PRO 21 HG1 PRO 21 -0.886 14.236 12.794 131 HD2 PRO 21 HD2 PRO 21 -3.026 12.264 12.125 132 HD3 PRO 21 HD1 PRO 21 -2.141 13.361 11.047 133 H ALA 22 HN ALA 22 -1.852 9.652 12.600 134 HA ALA 22 HA ALA 22 -1.004 7.855 14.538 135 HB1 ALA 22 HB1 ALA 22 -3.055 7.236 13.787 136 HB2 ALA 22 HB2 ALA 22 -2.095 6.158 12.775 137 HB3 ALA 22 HB3 ALA 22 -2.699 7.679 12.118 138 H ASN 23 HN ASN 23 0.310 8.577 11.441 139 HA ASN 23 HA ASN 23 2.161 6.306 11.650 140 HB2 ASN 23 HB2 ASN 23 1.552 7.850 9.130 141 HB3 ASN 23 HB1 ASN 23 2.368 6.296 9.283 142 HD21 ASN 23 HD21 ASN 23 -0.723 7.899 9.869 143 HD22 ASN 23 HD22 ASN 23 -1.703 6.513 9.550 144 H CYS 24 HN CYS 24 1.875 9.735 11.666 145 HA CYS 24 HA CYS 24 4.341 10.564 10.688 146 HB2 CYS 24 HB2 CYS 24 2.412 12.034 11.433 147 HB3 CYS 24 HB1 CYS 24 2.966 11.795 13.085 148 H GLN 25 HN GLN 25 6.000 9.198 11.220 149 HA GLN 25 HA GLN 25 7.908 8.730 12.401 150 HB2 GLN 25 HB2 GLN 25 6.690 9.853 14.911 151 HB3 GLN 25 HB1 GLN 25 8.390 9.690 14.494 152 HG2 GLN 25 HG2 GLN 25 7.163 11.344 12.543 153 HG3 GLN 25 HG1 GLN 25 6.680 11.920 14.137 154 HE21 GLN 25 HE21 GLN 25 9.650 10.551 12.751 155 HE22 GLN 25 HE22 GLN 25 10.694 11.810 13.310 156 H ASP 26 HN ASP 26 4.909 8.261 14.270 157 HA ASP 26 HA ASP 26 5.709 6.064 15.765 158 HB2 ASP 26 HB2 ASP 26 3.079 7.108 14.827 159 HB3 ASP 26 HB1 ASP 26 3.126 5.484 15.506 160 H ARG 27 HN ARG 27 3.346 5.604 13.161 161 HA ARG 27 HA ARG 27 4.063 2.918 12.735 162 HB2 ARG 27 HB2 ARG 27 1.943 4.427 12.028 163 HB3 ARG 27 HB1 ARG 27 2.798 4.386 10.492 164 HG2 ARG 27 HG2 ARG 27 1.592 2.515 10.191 165 HG3 ARG 27 HG1 ARG 27 2.888 1.780 11.137 166 HD2 ARG 27 HD2 ARG 27 0.555 2.972 12.558 167 HD3 ARG 27 HD1 ARG 27 0.365 1.405 11.772 168 HE ARG 27 HE ARG 27 2.674 1.256 13.292 169 HH11 ARG 27 HH11 ARG 27 -0.734 1.768 13.846 170 HH12 ARG 27 HH12 ARG 27 -0.711 1.061 15.426 171 HH21 ARG 27 HH21 ARG 27 2.706 0.325 15.370 172 HH22 ARG 27 HH22 ARG 27 1.242 0.242 16.292 173 H CYS 28 HN CYS 28 4.188 2.733 9.894 174 HA CYS 28 HA CYS 28 7.006 3.372 9.541 175 HB2 CYS 28 HB2 CYS 28 6.983 1.799 7.722 176 HB3 CYS 28 HB1 CYS 28 6.132 1.075 9.082 177 H CYS 29 HN CYS 29 5.368 5.629 9.454 178 HA CYS 29 HA CYS 29 5.696 6.417 6.642 179 HB2 CYS 29 HB2 CYS 29 3.244 5.986 7.567 180 HB3 CYS 29 HB1 CYS 29 3.456 7.613 8.203 181 H ASN 30 HN ASN 30 6.406 8.481 6.278 182 HA ASN 30 HA ASN 30 7.279 9.959 8.664 183 HB2 ASN 30 HB2 ASN 30 8.377 9.824 5.868 184 HB3 ASN 30 HB1 ASN 30 8.821 11.091 6.988 185 HD21 ASN 30 HD21 ASN 30 9.090 9.847 9.338 186 HD22 ASN 30 HD22 ASN 30 10.328 8.645 9.266 187 H ALA 31 HN ALA 31 5.524 11.164 9.063 188 HA ALA 31 HA ALA 31 4.249 12.721 6.985 189 HB1 ALA 31 HB1 ALA 31 3.400 13.671 9.484 190 HB2 ALA 31 HB2 ALA 31 3.603 11.938 9.673 191 HB3 ALA 31 HB3 ALA 31 2.545 12.567 8.419 192 H ALA 32 HN ALA 32 6.869 12.963 9.112 193 HA ALA 32 HA ALA 32 7.037 15.886 8.842 194 HB1 ALA 32 HB1 ALA 32 8.815 15.719 10.554 195 HB2 ALA 32 HB2 ALA 32 8.563 13.973 10.616 196 HB3 ALA 32 HB3 ALA 32 7.274 15.070 11.118 197 H THR 33 HN THR 33 8.312 12.886 7.777 198 HA THR 33 HA THR 33 10.603 14.192 6.498 199 HB THR 33 HB THR 33 10.621 11.327 6.244 200 HG1 THR 33 HG1 THR 33 10.380 12.339 8.886 201 HG21 THR 33 HG21 THR 33 12.749 11.458 7.045 202 HG22 THR 33 HG22 THR 33 12.382 12.826 8.096 203 HG23 THR 33 HG23 THR 33 12.528 13.065 6.354 204 H CYS 34 HN CYS 34 7.551 13.628 5.815 205 HA CYS 34 HA CYS 34 6.285 13.163 4.000 206 HB2 CYS 34 HB2 CYS 34 7.575 15.342 3.529 207 HB3 CYS 34 HB1 CYS 34 8.495 14.380 2.378 208 H LYS 35 HN LYS 35 7.402 10.773 4.537 209 HA LYS 35 HA LYS 35 7.303 9.493 2.048 210 HB2 LYS 35 HB2 LYS 35 9.726 10.677 2.310 211 HB3 LYS 35 HB1 LYS 35 10.058 9.072 2.942 212 HG2 LYS 35 HG2 LYS 35 10.569 9.064 0.620 213 HG3 LYS 35 HG1 LYS 35 9.094 8.123 0.852 214 HD2 LYS 35 HD2 LYS 35 8.698 9.474 -1.042 215 HD3 LYS 35 HD1 LYS 35 7.823 10.244 0.283 216 HE2 LYS 35 HE2 LYS 35 8.890 12.019 -0.788 217 HE3 LYS 35 HE1 LYS 35 9.932 11.667 0.590 218 HZ1 LYS 35 HZ1 LYS 35 11.590 10.952 -0.733 219 HZ2 LYS 35 HZ2 LYS 35 10.832 11.923 -1.892 220 HZ3 LYS 35 HZ3 LYS 35 10.552 10.255 -1.874 221 H LEU 36 HN LEU 36 7.073 7.323 2.191 222 HA LEU 36 HA LEU 36 6.529 6.161 4.682 223 HB2 LEU 36 HB2 LEU 36 6.247 4.116 3.565 224 HB3 LEU 36 HB1 LEU 36 5.809 5.340 2.394 225 HG LEU 36 HG LEU 36 8.398 3.802 2.469 226 HD11 LEU 36 HD11 LEU 36 5.950 2.999 1.538 227 HD12 LEU 36 HD12 LEU 36 7.509 2.395 0.973 228 HD13 LEU 36 HD13 LEU 36 6.696 3.691 0.096 229 HD21 LEU 36 HD21 LEU 36 7.442 5.925 0.550 230 HD22 LEU 36 HD22 LEU 36 8.898 4.949 0.361 231 HD23 LEU 36 HD23 LEU 36 8.766 6.084 1.704 232 H THR 37 HN THR 37 7.827 5.523 6.271 233 HA THR 37 HA THR 37 10.584 5.822 6.200 234 HB THR 37 HB THR 37 10.534 4.381 8.311 235 HG1 THR 37 HG1 THR 37 8.644 3.233 7.871 236 HG21 THR 37 HG21 THR 37 9.219 6.075 9.595 237 HG22 THR 37 HG22 THR 37 8.832 6.836 8.050 238 HG23 THR 37 HG23 THR 37 10.511 6.720 8.583 239 HA PRO 38 HA PRO 38 12.582 2.419 4.285 240 HB2 PRO 38 HB2 PRO 38 14.030 2.242 6.900 241 HB3 PRO 38 HB1 PRO 38 14.683 2.235 5.256 242 HG2 PRO 38 HG2 PRO 38 14.828 4.431 6.718 243 HG3 PRO 38 HG1 PRO 38 14.392 4.536 5.001 244 HD2 PRO 38 HD2 PRO 38 12.660 4.786 7.415 245 HD3 PRO 38 HD1 PRO 38 12.552 5.625 5.855 246 H GLY 39 HN GLY 39 12.518 0.198 4.234 247 HA2 GLY 39 HA2 GLY 39 12.206 -1.967 5.115 248 HA3 GLY 39 HA1 GLY 39 11.584 -1.251 6.594 249 H SER 40 HN SER 40 9.711 0.509 5.254 250 HA SER 40 HA SER 40 7.597 -1.428 4.842 251 HB2 SER 40 HB2 SER 40 7.067 0.454 6.251 252 HB3 SER 40 HB1 SER 40 7.588 1.593 5.010 253 HG SER 40 HG SER 40 5.484 -0.251 4.590 254 H GLN 41 HN GLN 41 7.026 -2.158 2.909 255 HA GLN 41 HA GLN 41 8.135 -1.082 0.507 256 HB2 GLN 41 HB2 GLN 41 5.979 -3.162 0.924 257 HB3 GLN 41 HB1 GLN 41 6.731 -2.793 -0.622 258 HG2 GLN 41 HG2 GLN 41 8.584 -3.454 1.563 259 HG3 GLN 41 HG1 GLN 41 7.534 -4.764 1.025 260 HE21 GLN 41 HE21 GLN 41 8.700 -6.030 -0.236 261 HE22 GLN 41 HE22 GLN 41 9.708 -5.511 -1.540 262 H CYS 42 HN CYS 42 5.051 -0.876 2.149 263 HA CYS 42 HA CYS 42 4.339 1.512 0.800 264 HB2 CYS 42 HB2 CYS 42 2.449 0.796 -0.479 265 HB3 CYS 42 HB1 CYS 42 3.815 -0.198 -0.969 266 H ASN 43 HN ASN 43 2.244 2.345 1.513 267 HA ASN 43 HA ASN 43 1.478 1.214 4.119 268 HB2 ASN 43 HB2 ASN 43 2.547 3.496 4.149 269 HB3 ASN 43 HB1 ASN 43 1.153 4.091 3.253 270 HD21 ASN 43 HD21 ASN 43 -0.952 3.843 4.260 271 HD22 ASN 43 HD22 ASN 43 -1.072 3.915 5.982 272 H TYR 44 HN TYR 44 0.409 2.326 1.014 273 HA TYR 44 HA TYR 44 -2.244 1.250 1.569 274 HB2 TYR 44 HB2 TYR 44 -3.437 3.148 1.181 275 HB3 TYR 44 HB1 TYR 44 -1.964 3.924 1.743 276 HD1 TYR 44 HD2 TYR 44 -3.526 2.711 -1.439 277 HD2 TYR 44 HD1 TYR 44 -1.068 5.629 0.452 278 HE1 TYR 44 HE2 TYR 44 -3.397 3.963 -3.548 279 HE2 TYR 44 HE1 TYR 44 -0.935 6.886 -1.654 280 HH TYR 44 HH TYR 44 -2.892 6.709 -4.032 281 H GLY 45 HN GLY 45 -3.133 0.176 -0.131 282 HA2 GLY 45 HA2 GLY 45 -2.979 0.495 -2.785 283 HA3 GLY 45 HA1 GLY 45 -1.414 -0.226 -2.437 284 H GLU 46 HN GLU 46 -3.036 -1.543 -4.124 285 HA GLU 46 HA GLU 46 -4.836 -3.371 -2.970 286 HB2 GLU 46 HB2 GLU 46 -3.365 -3.156 -5.542 287 HB3 GLU 46 HB1 GLU 46 -3.997 -4.742 -5.118 288 HG2 GLU 46 HG2 GLU 46 -5.524 -3.423 -6.533 289 HG3 GLU 46 HG1 GLU 46 -6.230 -3.886 -4.985 290 H CYS 47 HN CYS 47 -1.374 -3.543 -3.601 291 HA CYS 47 HA CYS 47 -1.234 -6.194 -2.373 292 HB2 CYS 47 HB2 CYS 47 0.489 -4.604 -4.187 293 HB3 CYS 47 HB1 CYS 47 1.314 -5.675 -3.063 294 H CYS 48 HN CYS 48 -1.762 -3.728 -0.812 295 HA CYS 48 HA CYS 48 0.704 -3.485 0.737 296 HB2 CYS 48 HB2 CYS 48 -1.218 -1.629 -0.050 297 HB3 CYS 48 HB1 CYS 48 -1.524 -1.867 1.666 298 H ASP 49 HN ASP 49 0.971 -4.376 2.668 299 HA ASP 49 HA ASP 49 -1.273 -5.034 4.359 300 HB2 ASP 49 HB2 ASP 49 -1.075 -6.976 2.772 301 HB3 ASP 49 HB1 ASP 49 0.534 -7.271 3.426 302 H GLN 50 HN GLN 50 -0.514 -3.989 6.092 303 HA GLN 50 HA GLN 50 0.825 -3.360 7.825 304 HB2 GLN 50 HB2 GLN 50 1.553 -6.259 7.476 305 HB3 GLN 50 HB1 GLN 50 2.222 -5.285 8.778 306 HG2 GLN 50 HG2 GLN 50 -0.340 -4.739 9.176 307 HG3 GLN 50 HG1 GLN 50 -0.531 -6.303 8.385 308 HE21 GLN 50 HE21 GLN 50 0.734 -4.625 11.159 309 HE22 GLN 50 HE22 GLN 50 0.966 -6.021 12.150 310 H CYS 51 HN CYS 51 1.890 -2.019 6.025 311 HA CYS 51 HA CYS 51 3.746 -1.164 5.007 312 HB2 CYS 51 HB2 CYS 51 5.114 -2.311 7.447 313 HB3 CYS 51 HB1 CYS 51 5.708 -0.997 6.437 314 H ARG 52 HN ARG 52 3.088 -3.988 4.355 315 HA ARG 52 HA ARG 52 5.629 -4.629 3.087 316 HB2 ARG 52 HB2 ARG 52 4.129 -6.609 4.811 317 HB3 ARG 52 HB1 ARG 52 5.485 -7.008 3.766 318 HG2 ARG 52 HG2 ARG 52 5.613 -5.082 6.076 319 HG3 ARG 52 HG1 ARG 52 6.108 -6.774 6.141 320 HD2 ARG 52 HD2 ARG 52 7.261 -4.740 4.240 321 HD3 ARG 52 HD1 ARG 52 7.983 -5.165 5.791 322 HE ARG 52 HE ARG 52 8.152 -6.645 3.368 323 HH11 ARG 52 HH11 ARG 52 7.990 -7.003 6.836 324 HH12 ARG 52 HH12 ARG 52 8.815 -8.525 6.843 325 HH21 ARG 52 HH21 ARG 52 9.237 -8.647 3.375 326 HH22 ARG 52 HH22 ARG 52 9.524 -9.459 4.878 327 H PHE 53 HN PHE 53 5.424 -5.924 1.216 328 HA PHE 53 HA PHE 53 2.897 -5.649 -0.095 329 HB2 PHE 53 HB2 PHE 53 5.540 -6.827 -0.919 330 HB3 PHE 53 HB1 PHE 53 4.113 -6.988 -1.938 331 HD1 PHE 53 HD1 PHE 53 2.992 -4.199 -1.163 332 HD2 PHE 53 HD2 PHE 53 6.791 -5.559 -2.510 333 HE1 PHE 53 HE1 PHE 53 3.424 -1.998 -2.132 334 HE2 PHE 53 HE2 PHE 53 7.237 -3.344 -3.484 335 HZ PHE 53 HZ PHE 53 5.552 -1.556 -3.297 336 H LYS 54 HN LYS 54 1.415 -7.175 -0.644 337 HA LYS 54 HA LYS 54 1.156 -9.430 1.027 338 HB2 LYS 54 HB2 LYS 54 -0.198 -9.049 -1.646 339 HB3 LYS 54 HB1 LYS 54 -0.770 -10.008 -0.287 340 HG2 LYS 54 HG2 LYS 54 -0.673 -7.684 0.949 341 HG3 LYS 54 HG1 LYS 54 -0.826 -7.072 -0.697 342 HD2 LYS 54 HD2 LYS 54 -3.029 -7.337 -0.429 343 HD3 LYS 54 HD1 LYS 54 -2.721 -9.065 -0.599 344 HE2 LYS 54 HE2 LYS 54 -2.829 -7.510 1.983 345 HE3 LYS 54 HE1 LYS 54 -4.058 -8.622 1.384 346 HZ1 LYS 54 HZ1 LYS 54 -1.407 -9.754 1.576 347 HZ2 LYS 54 HZ2 LYS 54 -2.895 -10.392 2.063 348 HZ3 LYS 54 HZ3 LYS 54 -2.078 -9.300 3.062 349 H LYS 55 HN LYS 55 2.516 -11.101 0.987 350 HA LYS 55 HA LYS 55 4.349 -11.896 -0.782 351 HB2 LYS 55 HB2 LYS 55 3.944 -13.033 1.357 352 HB3 LYS 55 HB1 LYS 55 2.506 -13.790 0.686 353 HG2 LYS 55 HG2 LYS 55 3.933 -14.927 -0.983 354 HG3 LYS 55 HG1 LYS 55 5.351 -14.238 -0.189 355 HD2 LYS 55 HD2 LYS 55 5.121 -15.568 1.673 356 HD3 LYS 55 HD1 LYS 55 3.382 -15.764 1.449 357 HE2 LYS 55 HE2 LYS 55 3.800 -17.220 -0.476 358 HE3 LYS 55 HE1 LYS 55 5.537 -17.025 -0.244 359 HZ1 LYS 55 HZ1 LYS 55 4.896 -19.068 0.744 360 HZ2 LYS 55 HZ2 LYS 55 3.618 -18.351 1.588 361 HZ3 LYS 55 HZ3 LYS 55 5.216 -17.994 2.012 362 H ALA 56 HN ALA 56 4.474 -12.589 -2.812 363 HA ALA 56 HA ALA 56 2.542 -12.519 -4.678 364 HB1 ALA 56 HB1 ALA 56 5.016 -14.144 -4.475 365 HB2 ALA 56 HB2 ALA 56 4.566 -12.904 -5.646 366 HB3 ALA 56 HB3 ALA 56 3.878 -14.524 -5.769 367 H GLY 57 HN GLY 57 0.713 -13.543 -5.108 368 HA2 GLY 57 HA2 GLY 57 -0.378 -15.735 -5.453 369 HA3 GLY 57 HA1 GLY 57 0.337 -16.232 -3.924 370 H THR 58 HN THR 58 -0.388 -13.189 -3.250 371 HA THR 58 HA THR 58 -2.846 -13.896 -1.911 372 HB THR 58 HB THR 58 -1.460 -11.208 -2.044 373 HG1 THR 58 HG1 THR 58 0.020 -12.475 -1.110 374 HG21 THR 58 HG21 THR 58 -3.663 -10.970 -1.173 375 HG22 THR 58 HG22 THR 58 -2.518 -10.875 0.167 376 HG23 THR 58 HG23 THR 58 -3.444 -12.355 -0.103 377 H VAL 59 HN VAL 59 -4.625 -13.991 -3.183 378 HA VAL 59 HA VAL 59 -4.988 -12.528 -5.551 379 HB VAL 59 HB VAL 59 -6.255 -14.575 -5.109 380 HG11 VAL 59 HG11 VAL 59 -7.594 -14.922 -3.336 381 HG12 VAL 59 HG12 VAL 59 -8.224 -13.275 -3.358 382 HG13 VAL 59 HG13 VAL 59 -6.660 -13.611 -2.616 383 HG21 VAL 59 HG21 VAL 59 -8.471 -13.798 -5.858 384 HG22 VAL 59 HG22 VAL 59 -7.152 -13.038 -6.748 385 HG23 VAL 59 HG23 VAL 59 -7.994 -12.141 -5.484 386 H CYS 60 HN CYS 60 -5.287 -10.414 -5.777 387 HA CYS 60 HA CYS 60 -6.559 -8.929 -3.581 388 HB2 CYS 60 HB2 CYS 60 -5.123 -7.659 -5.894 389 HB3 CYS 60 HB1 CYS 60 -5.451 -6.984 -4.303 390 H ARG 61 HN ARG 61 -6.924 -9.866 -6.885 391 HA ARG 61 HA ARG 61 -9.586 -8.719 -6.944 392 HB2 ARG 61 HB2 ARG 61 -7.808 -8.086 -9.275 393 HB3 ARG 61 HB1 ARG 61 -9.328 -7.337 -8.808 394 HG2 ARG 61 HG2 ARG 61 -8.178 -6.355 -6.843 395 HG3 ARG 61 HG1 ARG 61 -6.659 -7.008 -7.458 396 HD2 ARG 61 HD2 ARG 61 -8.434 -5.164 -9.045 397 HD3 ARG 61 HD1 ARG 61 -7.123 -4.595 -8.015 398 HE ARG 61 HE ARG 61 -6.433 -6.559 -10.046 399 HH11 ARG 61 HH11 ARG 61 -6.513 -3.193 -9.109 400 HH12 ARG 61 HH12 ARG 61 -5.320 -2.718 -10.268 401 HH21 ARG 61 HH21 ARG 61 -4.869 -5.927 -11.570 402 HH22 ARG 61 HH22 ARG 61 -4.388 -4.266 -11.665 403 H ILE 62 HN ILE 62 -10.435 -9.121 -9.358 404 HA ILE 62 HA ILE 62 -9.525 -11.360 -10.774 405 HB ILE 62 HB ILE 62 -10.178 -12.730 -8.925 406 HG12 ILE 62 HG12 ILE 62 -11.947 -14.127 -9.923 407 HG13 ILE 62 HG11 ILE 62 -12.349 -12.822 -11.034 408 HG21 ILE 62 HG21 ILE 62 -12.062 -12.504 -7.659 409 HG22 ILE 62 HG22 ILE 62 -13.008 -11.839 -8.993 410 HG23 ILE 62 HG23 ILE 62 -11.829 -10.828 -8.156 411 HD11 ILE 62 HD11 ILE 62 -9.828 -13.041 -11.705 412 HD12 ILE 62 HD12 ILE 62 -11.042 -14.140 -12.359 413 HD13 ILE 62 HD13 ILE 62 -10.013 -14.656 -11.023 414 H ALA 63 HN ALA 63 -10.467 -11.363 -12.713 415 HA ALA 63 HA ALA 63 -12.105 -9.277 -13.510 416 HB1 ALA 63 HB1 ALA 63 -12.532 -11.258 -15.411 417 HB2 ALA 63 HB2 ALA 63 -10.931 -11.594 -14.749 418 HB3 ALA 63 HB3 ALA 63 -11.289 -10.009 -15.430 419 H ARG 64 HN ARG 64 -13.481 -12.385 -14.376 420 HA ARG 64 HA ARG 64 -15.743 -11.934 -12.582 421 HB2 ARG 64 HB2 ARG 64 -16.150 -12.362 -15.542 422 HB3 ARG 64 HB1 ARG 64 -17.384 -12.040 -14.332 423 HG2 ARG 64 HG2 ARG 64 -17.165 -9.986 -15.327 424 HG3 ARG 64 HG1 ARG 64 -16.058 -9.832 -13.961 425 HD2 ARG 64 HD2 ARG 64 -14.563 -9.178 -15.495 426 HD3 ARG 64 HD1 ARG 64 -14.437 -10.893 -15.882 427 HE ARG 64 HE ARG 64 -16.535 -9.572 -17.318 428 HH11 ARG 64 HH11 ARG 64 -13.110 -10.241 -17.279 429 HH12 ARG 64 HH12 ARG 64 -12.926 -10.051 -18.990 430 HH21 ARG 64 HH21 ARG 64 -16.295 -9.323 -19.570 431 HH22 ARG 64 HH22 ARG 64 -14.734 -9.530 -20.291 432 H GLY 65 HN GLY 65 -15.012 -13.839 -11.516 433 HA2 GLY 65 HA2 GLY 65 -16.082 -16.112 -11.467 434 HA3 GLY 65 HA1 GLY 65 -15.424 -16.305 -13.087 435 H ASP 66 HN ASP 66 -13.413 -17.058 -13.336 436 HA ASP 66 HA ASP 66 -11.279 -16.736 -11.606 437 HB2 ASP 66 HB2 ASP 66 -11.180 -19.103 -10.655 438 HB3 ASP 66 HB1 ASP 66 -12.345 -18.008 -9.916 439 H TRP 67 HN TRP 67 -10.205 -16.528 -13.522 440 HA TRP 67 HA TRP 67 -9.755 -19.017 -15.040 441 HB2 TRP 67 HB2 TRP 67 -8.984 -16.818 -16.642 442 HB3 TRP 67 HB1 TRP 67 -10.346 -17.902 -16.896 443 HD1 TRP 67 HD1 TRP 67 -9.640 -14.634 -14.879 444 HE1 TRP 67 HE1 TRP 67 -11.777 -13.225 -14.938 445 HE3 TRP 67 HE3 TRP 67 -12.653 -17.831 -17.479 446 HZ2 TRP 67 HZ2 TRP 67 -14.387 -13.422 -15.952 447 HZ3 TRP 67 HZ3 TRP 67 -14.969 -17.140 -17.962 448 HH2 TRP 67 HH2 TRP 67 -15.817 -14.975 -17.213 449 H ASN 68 HN ASN 68 -8.262 -15.843 -14.771 450 HA ASN 68 HA ASN 68 -5.634 -17.106 -14.441 451 HB2 ASN 68 HB2 ASN 68 -5.994 -14.180 -14.978 452 HB3 ASN 68 HB1 ASN 68 -4.675 -15.245 -15.454 453 HD21 ASN 68 HD21 ASN 68 -8.082 -14.531 -16.063 454 HD22 ASN 68 HD22 ASN 68 -8.074 -15.024 -17.718 455 H ASP 69 HN ASP 69 -7.937 -14.903 -13.033 456 HA ASP 69 HA ASP 69 -8.143 -13.985 -10.970 457 HB2 ASP 69 HB2 ASP 69 -6.298 -16.279 -10.452 458 HB3 ASP 69 HB1 ASP 69 -6.614 -15.119 -9.166 459 H ASP 70 HN ASP 70 -7.299 -12.348 -9.722 460 HA ASP 70 HA ASP 70 -4.792 -11.242 -10.697 461 HB2 ASP 70 HB2 ASP 70 -6.927 -9.863 -10.436 462 HB3 ASP 70 HB1 ASP 70 -6.672 -9.989 -8.700 463 H TYR 71 HN TYR 71 -2.931 -11.499 -9.628 464 HA TYR 71 HA TYR 71 -3.086 -12.018 -6.739 465 HB2 TYR 71 HB2 TYR 71 -1.727 -13.630 -8.853 466 HB3 TYR 71 HB1 TYR 71 -1.096 -13.614 -7.206 467 HD1 TYR 71 HD2 TYR 71 -2.688 -14.181 -5.341 468 HD2 TYR 71 HD1 TYR 71 -3.522 -15.009 -9.410 469 HE1 TYR 71 HE2 TYR 71 -4.348 -15.835 -4.634 470 HE2 TYR 71 HE1 TYR 71 -5.209 -16.656 -8.744 471 HH TYR 71 HH TYR 71 -6.678 -16.852 -6.150 472 H CYS 72 HN CYS 72 -1.400 -11.429 -5.480 473 HA CYS 72 HA CYS 72 0.107 -9.179 -6.350 474 HB2 CYS 72 HB2 CYS 72 -0.763 -9.781 -3.972 475 HB3 CYS 72 HB1 CYS 72 0.720 -10.723 -3.850 476 H THR 73 HN THR 73 2.493 -9.046 -6.068 477 HA THR 73 HA THR 73 3.789 -11.547 -6.925 478 HB THR 73 HB THR 73 5.124 -10.365 -8.473 479 HG1 THR 73 HG1 THR 73 5.050 -8.053 -8.558 480 HG21 THR 73 HG21 THR 73 3.600 -9.848 -10.019 481 HG22 THR 73 HG22 THR 73 2.816 -8.650 -8.988 482 HG23 THR 73 HG23 THR 73 2.431 -10.363 -8.801 483 H GLY 74 HN GLY 74 3.540 -9.579 -4.376 484 HA2 GLY 74 HA2 GLY 74 4.851 -9.107 -2.559 485 HA3 GLY 74 HA1 GLY 74 5.788 -10.513 -3.038 486 H LYS 75 HN LYS 75 5.517 -7.833 -5.229 487 HA LYS 75 HA LYS 75 8.092 -6.762 -4.361 488 HB2 LYS 75 HB2 LYS 75 9.182 -7.050 -6.420 489 HB3 LYS 75 HB1 LYS 75 8.401 -8.594 -6.113 490 HG2 LYS 75 HG2 LYS 75 6.518 -7.165 -7.553 491 HG3 LYS 75 HG1 LYS 75 8.055 -6.746 -8.310 492 HD2 LYS 75 HD2 LYS 75 8.534 -9.262 -8.297 493 HD3 LYS 75 HD1 LYS 75 6.813 -9.458 -7.961 494 HE2 LYS 75 HE2 LYS 75 7.009 -9.637 -10.297 495 HE3 LYS 75 HE1 LYS 75 6.406 -8.005 -10.007 496 HZ1 LYS 75 HZ1 LYS 75 8.128 -7.873 -11.615 497 HZ2 LYS 75 HZ2 LYS 75 9.185 -8.800 -10.675 498 HZ3 LYS 75 HZ3 LYS 75 8.755 -7.242 -10.176 499 H SER 76 HN SER 76 5.085 -5.983 -4.801 500 HA SER 76 HA SER 76 5.600 -3.251 -5.334 501 HB2 SER 76 HB2 SER 76 4.119 -3.157 -7.421 502 HB3 SER 76 HB1 SER 76 5.756 -3.775 -7.635 503 HG SER 76 HG SER 76 4.462 -5.218 -8.650 504 H SER 77 HN SER 77 3.580 -1.952 -5.405 505 HA SER 77 HA SER 77 1.632 -3.094 -3.567 506 HB2 SER 77 HB2 SER 77 1.052 -0.915 -3.007 507 HB3 SER 77 HB1 SER 77 2.746 -0.716 -3.452 508 HG SER 77 HG SER 77 0.528 0.334 -4.603 509 H ASP 78 HN ASP 78 1.900 -3.444 -6.692 510 HA ASP 78 HA ASP 78 -0.942 -2.926 -7.267 511 HB2 ASP 78 HB2 ASP 78 1.488 -2.938 -9.042 512 HB3 ASP 78 HB1 ASP 78 -0.121 -3.186 -9.714 513 H CYS 79 HN CYS 79 -2.227 -4.600 -7.720 514 HA CYS 79 HA CYS 79 -1.002 -7.272 -7.854 515 HB2 CYS 79 HB2 CYS 79 -3.048 -6.261 -6.248 516 HB3 CYS 79 HB1 CYS 79 -3.879 -7.244 -7.450 517 HA PRO 80 HA PRO 80 -2.380 -6.921 -12.180 518 HB2 PRO 80 HB2 PRO 80 -0.971 -9.063 -13.069 519 HB3 PRO 80 HB1 PRO 80 -0.241 -7.474 -12.815 520 HG2 PRO 80 HG2 PRO 80 -0.213 -9.878 -11.027 521 HG3 PRO 80 HG1 PRO 80 1.119 -8.787 -11.453 522 HD2 PRO 80 HD2 PRO 80 -0.215 -8.580 -9.117 523 HD3 PRO 80 HD1 PRO 80 0.432 -7.161 -9.964 524 H TRP 81 HN TRP 81 -4.042 -7.884 -13.221 525 HA TRP 81 HA TRP 81 -5.607 -9.849 -11.902 526 HB2 TRP 81 HB2 TRP 81 -6.162 -9.574 -14.760 527 HB3 TRP 81 HB1 TRP 81 -7.225 -9.336 -13.382 528 HD1 TRP 81 HD1 TRP 81 -4.804 -7.421 -15.662 529 HE1 TRP 81 HE1 TRP 81 -5.293 -4.905 -15.412 530 HE3 TRP 81 HE3 TRP 81 -8.119 -7.644 -11.811 531 HZ2 TRP 81 HZ2 TRP 81 -6.891 -3.241 -13.787 532 HZ3 TRP 81 HZ3 TRP 81 -9.101 -5.548 -10.958 533 HH2 TRP 81 HH2 TRP 81 -8.493 -3.388 -11.928 534 H ASN 82 HN ASN 82 -3.008 -10.058 -14.074 535 HA ASN 82 HA ASN 82 -1.846 -11.882 -14.846 536 HB2 ASN 82 HB2 ASN 82 -2.890 -13.040 -12.770 537 HB3 ASN 82 HB1 ASN 82 -4.046 -13.715 -13.914 538 HD21 ASN 82 HD21 ASN 82 -1.738 -14.787 -12.230 539 HD22 ASN 82 HD22 ASN 82 -0.842 -15.761 -13.342 540 H HIS 83 HN HIS 83 -4.036 -10.378 -16.160 541 HA HIS 83 HA HIS 83 -5.076 -12.340 -18.064 542 HB2 HIS 83 HB2 HIS 83 -5.752 -9.408 -17.710 543 HB3 HIS 83 HB1 HIS 83 -6.564 -10.528 -18.803 544 HD1 HIS 83 HD1 HIS 83 -8.003 -8.999 -16.457 545 HD2 HIS 83 HD2 HIS 83 -6.618 -12.911 -16.308 546 HE1 HIS 83 HE1 HIS 83 -9.325 -10.115 -14.631 547 HE2 HIS 83 HE2 HIS 83 -8.417 -12.458 -14.508 Start of MODEL 28 1 H1 SER 1 HT1 SER 1 -4.567 15.042 20.517 2 H2 SER 1 HT2 SER 1 -4.597 16.432 19.510 3 H3 SER 1 HT3 SER 1 -3.415 16.291 20.747 4 HA SER 1 HA SER 1 -2.544 14.330 19.623 5 HB2 SER 1 HB2 SER 1 -4.503 15.245 17.501 6 HB3 SER 1 HB1 SER 1 -3.253 14.025 17.254 7 HG SER 1 HG SER 1 -4.275 12.707 18.733 8 HA PRO 2 HA PRO 2 0.356 17.177 17.909 9 HB2 PRO 2 HB2 PRO 2 1.280 15.370 15.842 10 HB3 PRO 2 HB1 PRO 2 2.056 15.789 17.369 11 HG2 PRO 2 HG2 PRO 2 1.023 13.319 16.827 12 HG3 PRO 2 HG1 PRO 2 1.170 13.988 18.462 13 HD2 PRO 2 HD2 PRO 2 -1.234 13.830 16.684 14 HD3 PRO 2 HD1 PRO 2 -1.108 13.568 18.437 15 HA PRO 3 HA PRO 3 -1.044 19.090 14.185 16 HB2 PRO 3 HB2 PRO 3 1.172 20.157 13.109 17 HB3 PRO 3 HB1 PRO 3 0.513 20.733 14.645 18 HG2 PRO 3 HG2 PRO 3 2.798 18.866 14.146 19 HG3 PRO 3 HG1 PRO 3 2.674 20.196 15.312 20 HD2 PRO 3 HD2 PRO 3 2.306 17.564 15.966 21 HD3 PRO 3 HD1 PRO 3 1.550 18.910 16.841 22 H VAL 4 HN VAL 4 -1.713 18.339 12.282 23 HA VAL 4 HA VAL 4 -0.770 16.052 11.103 24 HB VAL 4 HB VAL 4 -3.032 17.036 10.861 25 HG11 VAL 4 HG11 VAL 4 -1.979 18.831 8.720 26 HG12 VAL 4 HG12 VAL 4 -2.004 19.369 10.398 27 HG13 VAL 4 HG13 VAL 4 -3.506 18.905 9.598 28 HG21 VAL 4 HG21 VAL 4 -2.467 15.288 9.386 29 HG22 VAL 4 HG22 VAL 4 -1.516 16.369 8.364 30 HG23 VAL 4 HG23 VAL 4 -3.266 16.536 8.441 31 H CYS 5 HN CYS 5 1.437 16.191 10.806 32 HA CYS 5 HA CYS 5 2.710 18.326 9.438 33 HB2 CYS 5 HB2 CYS 5 4.128 15.778 9.207 34 HB3 CYS 5 HB1 CYS 5 4.634 17.272 9.975 35 H GLY 6 HN GLY 6 1.806 18.779 7.505 36 HA2 GLY 6 HA2 GLY 6 1.996 18.544 5.151 37 HA3 GLY 6 HA1 GLY 6 2.234 16.816 5.369 38 H ASN 7 HN ASN 7 -0.305 18.101 7.250 39 HA ASN 7 HA ASN 7 -2.565 17.869 7.206 40 HB2 ASN 7 HB2 ASN 7 -1.876 18.558 4.396 41 HB3 ASN 7 HB1 ASN 7 -3.475 17.863 4.653 42 HD21 ASN 7 HD21 ASN 7 -4.859 18.915 6.222 43 HD22 ASN 7 HD22 ASN 7 -4.728 20.622 6.454 44 H LYS 8 HN LYS 8 -4.128 16.216 7.092 45 HA LYS 8 HA LYS 8 -3.235 13.610 6.946 46 HB2 LYS 8 HB2 LYS 8 -5.524 14.672 7.788 47 HB3 LYS 8 HB1 LYS 8 -6.076 14.133 6.208 48 HG2 LYS 8 HG2 LYS 8 -4.721 12.335 8.203 49 HG3 LYS 8 HG1 LYS 8 -6.469 12.521 8.075 50 HD2 LYS 8 HD2 LYS 8 -4.796 11.743 5.699 51 HD3 LYS 8 HD1 LYS 8 -5.373 10.542 6.852 52 HE2 LYS 8 HE2 LYS 8 -7.066 10.502 5.304 53 HE3 LYS 8 HE1 LYS 8 -7.685 11.695 6.444 54 HZ1 LYS 8 HZ1 LYS 8 -7.555 12.117 3.835 55 HZ2 LYS 8 HZ2 LYS 8 -6.038 12.719 4.277 56 HZ3 LYS 8 HZ3 LYS 8 -7.437 13.365 4.971 57 H ILE 9 HN ILE 9 -2.357 12.620 5.264 58 HA ILE 9 HA ILE 9 -2.547 13.410 2.618 59 HB ILE 9 HB ILE 9 -1.919 11.162 1.899 60 HG12 ILE 9 HG12 ILE 9 -3.269 10.289 4.150 61 HG13 ILE 9 HG11 ILE 9 -2.276 9.303 3.083 62 HG21 ILE 9 HG21 ILE 9 -0.244 12.746 2.698 63 HG22 ILE 9 HG22 ILE 9 0.223 11.074 3.005 64 HG23 ILE 9 HG23 ILE 9 -0.396 12.071 4.319 65 HD11 ILE 9 HD11 ILE 9 -1.277 10.707 5.536 66 HD12 ILE 9 HD12 ILE 9 -0.378 9.593 4.511 67 HD13 ILE 9 HD13 ILE 9 -1.747 9.013 5.461 68 H LEU 10 HN LEU 10 -4.069 13.422 1.153 69 HA LEU 10 HA LEU 10 -6.571 12.094 1.741 70 HB2 LEU 10 HB2 LEU 10 -7.379 13.376 -0.278 71 HB3 LEU 10 HB1 LEU 10 -6.858 14.335 1.094 72 HG LEU 10 HG LEU 10 -6.183 15.031 -1.320 73 HD11 LEU 10 HD11 LEU 10 -4.828 16.460 -0.292 74 HD12 LEU 10 HD12 LEU 10 -3.756 15.175 0.265 75 HD13 LEU 10 HD13 LEU 10 -5.203 15.580 1.189 76 HD21 LEU 10 HD21 LEU 10 -4.076 14.160 -2.096 77 HD22 LEU 10 HD22 LEU 10 -5.238 12.843 -1.939 78 HD23 LEU 10 HD23 LEU 10 -3.985 13.062 -0.719 79 H GLU 11 HN GLU 11 -3.929 10.930 0.575 80 HA GLU 11 HA GLU 11 -5.023 8.746 -0.740 81 HB2 GLU 11 HB2 GLU 11 -4.549 9.140 -3.063 82 HB3 GLU 11 HB1 GLU 11 -5.579 10.439 -2.484 83 HG2 GLU 11 HG2 GLU 11 -4.110 11.922 -3.201 84 HG3 GLU 11 HG1 GLU 11 -2.905 11.256 -2.097 85 H GLN 12 HN GLN 12 -2.818 9.364 1.118 86 HA GLN 12 HA GLN 12 -0.875 7.653 -0.092 87 HB2 GLN 12 HB2 GLN 12 0.991 9.454 0.336 88 HB3 GLN 12 HB1 GLN 12 0.136 9.368 -1.193 89 HG2 GLN 12 HG2 GLN 12 -1.444 11.098 0.115 90 HG3 GLN 12 HG1 GLN 12 0.099 11.441 0.900 91 HE21 GLN 12 HE21 GLN 12 -1.564 13.033 -0.955 92 HE22 GLN 12 HE22 GLN 12 -0.515 13.454 -2.261 93 H GLY 13 HN GLY 13 -1.774 6.689 1.991 94 HA2 GLY 13 HA2 GLY 13 -0.709 7.707 4.470 95 HA3 GLY 13 HA1 GLY 13 -1.539 6.179 4.246 96 H GLU 14 HN GLU 14 1.388 7.492 2.753 97 HA GLU 14 HA GLU 14 3.432 6.319 4.077 98 HB2 GLU 14 HB2 GLU 14 3.343 4.091 3.810 99 HB3 GLU 14 HB1 GLU 14 1.822 4.253 2.951 100 HG2 GLU 14 HG2 GLU 14 4.492 4.503 1.595 101 HG3 GLU 14 HG1 GLU 14 3.633 2.975 1.771 102 H ASP 15 HN ASP 15 1.940 7.054 1.047 103 HA ASP 15 HA ASP 15 4.175 7.121 -0.623 104 HB2 ASP 15 HB2 ASP 15 1.457 7.676 -0.834 105 HB3 ASP 15 HB1 ASP 15 2.235 9.215 -1.195 106 H CYS 16 HN CYS 16 2.647 9.783 1.212 107 HA CYS 16 HA CYS 16 4.913 10.984 2.159 108 HB2 CYS 16 HB2 CYS 16 5.868 11.378 0.069 109 HB3 CYS 16 HB1 CYS 16 4.323 11.753 -0.680 110 H ASP 17 HN ASP 17 4.582 13.167 2.944 111 HA ASP 17 HA ASP 17 3.395 14.794 3.982 112 HB2 ASP 17 HB2 ASP 17 1.802 14.293 1.509 113 HB3 ASP 17 HB1 ASP 17 1.086 15.290 2.771 114 H CYS 18 HN CYS 18 3.119 12.063 4.835 115 HA CYS 18 HA CYS 18 0.799 10.915 5.346 116 HB2 CYS 18 HB2 CYS 18 3.251 10.937 6.679 117 HB3 CYS 18 HB1 CYS 18 2.053 11.257 7.931 118 H GLY 19 HN GLY 19 1.749 13.950 6.926 119 HA2 GLY 19 HA2 GLY 19 0.470 15.491 8.086 120 HA3 GLY 19 HA1 GLY 19 -0.898 14.836 7.213 121 H SER 20 HN SER 20 -1.665 12.636 8.075 122 HA SER 20 HA SER 20 -2.640 12.970 10.614 123 HB2 SER 20 HB2 SER 20 -3.512 10.836 10.467 124 HB3 SER 20 HB1 SER 20 -3.241 11.230 8.771 125 HG SER 20 HG SER 20 -1.263 10.071 8.910 126 HA PRO 21 HA PRO 21 1.247 12.840 12.848 127 HB2 PRO 21 HB2 PRO 21 -0.822 12.867 15.010 128 HB3 PRO 21 HB1 PRO 21 0.661 13.817 14.862 129 HG2 PRO 21 HG2 PRO 21 -1.695 14.916 14.305 130 HG3 PRO 21 HG1 PRO 21 -0.272 15.277 13.309 131 HD2 PRO 21 HD2 PRO 21 -2.609 13.526 12.709 132 HD3 PRO 21 HD1 PRO 21 -1.641 14.517 11.604 133 H ALA 22 HN ALA 22 -1.501 10.695 13.145 134 HA ALA 22 HA ALA 22 -0.598 8.868 15.013 135 HB1 ALA 22 HB1 ALA 22 -2.229 7.459 14.245 136 HB2 ALA 22 HB2 ALA 22 -1.895 7.815 12.551 137 HB3 ALA 22 HB3 ALA 22 -2.788 8.974 13.536 138 H ASN 23 HN ASN 23 0.573 9.523 11.828 139 HA ASN 23 HA ASN 23 2.372 7.202 11.987 140 HB2 ASN 23 HB2 ASN 23 1.263 8.685 9.607 141 HB3 ASN 23 HB1 ASN 23 2.632 7.584 9.481 142 HD21 ASN 23 HD21 ASN 23 0.825 6.762 7.946 143 HD22 ASN 23 HD22 ASN 23 -0.172 5.514 8.603 144 H CYS 24 HN CYS 24 2.177 10.671 11.786 145 HA CYS 24 HA CYS 24 4.670 11.322 10.768 146 HB2 CYS 24 HB2 CYS 24 2.718 12.870 11.540 147 HB3 CYS 24 HB1 CYS 24 3.553 12.862 13.091 148 H GLN 25 HN GLN 25 6.278 9.948 11.385 149 HA GLN 25 HA GLN 25 8.068 9.261 12.611 150 HB2 GLN 25 HB2 GLN 25 7.265 11.222 14.755 151 HB3 GLN 25 HB1 GLN 25 8.870 10.594 14.405 152 HG2 GLN 25 HG2 GLN 25 9.059 11.893 12.447 153 HG3 GLN 25 HG1 GLN 25 7.343 12.297 12.461 154 HE21 GLN 25 HE21 GLN 25 9.842 13.943 12.507 155 HE22 GLN 25 HE22 GLN 25 9.639 15.010 13.851 156 H ASP 26 HN ASP 26 6.257 7.477 12.727 157 HA ASP 26 HA ASP 26 6.479 6.286 15.286 158 HB2 ASP 26 HB2 ASP 26 4.702 7.902 15.832 159 HB3 ASP 26 HB1 ASP 26 3.714 7.254 14.527 160 H ARG 27 HN ARG 27 3.846 6.175 12.885 161 HA ARG 27 HA ARG 27 3.919 3.342 12.725 162 HB2 ARG 27 HB2 ARG 27 2.072 5.212 12.084 163 HB3 ARG 27 HB1 ARG 27 2.701 4.844 10.484 164 HG2 ARG 27 HG2 ARG 27 1.074 3.280 10.557 165 HG3 ARG 27 HG1 ARG 27 2.340 2.352 11.364 166 HD2 ARG 27 HD2 ARG 27 0.647 2.057 12.863 167 HD3 ARG 27 HD1 ARG 27 1.347 3.542 13.506 168 HE ARG 27 HE ARG 27 -0.653 4.158 11.613 169 HH11 ARG 27 HH11 ARG 27 -0.267 2.938 14.859 170 HH12 ARG 27 HH12 ARG 27 -1.808 3.518 15.394 171 HH21 ARG 27 HH21 ARG 27 -2.681 4.922 12.315 172 HH22 ARG 27 HH22 ARG 27 -3.179 4.644 13.950 173 H CYS 28 HN CYS 28 3.655 2.880 9.955 174 HA CYS 28 HA CYS 28 6.434 2.710 9.231 175 HB2 CYS 28 HB2 CYS 28 3.870 1.676 8.080 176 HB3 CYS 28 HB1 CYS 28 5.337 1.648 7.108 177 H CYS 29 HN CYS 29 4.351 5.209 8.978 178 HA CYS 29 HA CYS 29 5.548 6.132 6.452 179 HB2 CYS 29 HB2 CYS 29 3.249 5.817 5.977 180 HB3 CYS 29 HB1 CYS 29 2.757 6.514 7.515 181 H ASN 30 HN ASN 30 6.189 8.242 6.294 182 HA ASN 30 HA ASN 30 6.487 9.633 8.868 183 HB2 ASN 30 HB2 ASN 30 8.421 8.777 7.076 184 HB3 ASN 30 HB1 ASN 30 8.269 10.503 6.763 185 HD21 ASN 30 HD21 ASN 30 9.869 8.283 8.489 186 HD22 ASN 30 HD22 ASN 30 10.374 9.244 9.836 187 H ALA 31 HN ALA 31 5.191 11.241 9.060 188 HA ALA 31 HA ALA 31 4.148 12.707 6.799 189 HB1 ALA 31 HB1 ALA 31 3.499 12.397 9.607 190 HB2 ALA 31 HB2 ALA 31 2.479 12.920 8.277 191 HB3 ALA 31 HB3 ALA 31 3.480 14.088 9.122 192 H ALA 32 HN ALA 32 6.958 12.689 8.565 193 HA ALA 32 HA ALA 32 7.403 15.579 8.345 194 HB1 ALA 32 HB1 ALA 32 7.848 14.648 10.515 195 HB2 ALA 32 HB2 ALA 32 9.368 15.159 9.778 196 HB3 ALA 32 HB3 ALA 32 8.938 13.447 9.818 197 H THR 33 HN THR 33 8.764 12.465 7.280 198 HA THR 33 HA THR 33 10.769 13.888 5.703 199 HB THR 33 HB THR 33 11.407 11.489 5.026 200 HG1 THR 33 HG1 THR 33 10.538 9.877 6.086 201 HG21 THR 33 HG21 THR 33 12.783 11.171 6.886 202 HG22 THR 33 HG22 THR 33 11.651 11.985 7.967 203 HG23 THR 33 HG23 THR 33 12.564 12.918 6.781 204 H CYS 34 HN CYS 34 7.612 13.038 5.312 205 HA CYS 34 HA CYS 34 6.230 12.960 3.532 206 HB2 CYS 34 HB2 CYS 34 7.061 14.901 2.601 207 HB3 CYS 34 HB1 CYS 34 8.676 14.246 2.399 208 H LYS 35 HN LYS 35 7.475 10.539 4.336 209 HA LYS 35 HA LYS 35 6.862 8.947 2.098 210 HB2 LYS 35 HB2 LYS 35 9.655 9.780 2.352 211 HB3 LYS 35 HB1 LYS 35 9.438 8.039 2.229 212 HG2 LYS 35 HG2 LYS 35 7.849 9.529 0.296 213 HG3 LYS 35 HG1 LYS 35 9.587 9.788 0.127 214 HD2 LYS 35 HD2 LYS 35 8.617 7.006 0.502 215 HD3 LYS 35 HD1 LYS 35 8.343 7.772 -1.064 216 HE2 LYS 35 HE2 LYS 35 10.414 7.126 -1.586 217 HE3 LYS 35 HE1 LYS 35 10.967 8.399 -0.499 218 HZ1 LYS 35 HZ1 LYS 35 11.294 6.888 1.222 219 HZ2 LYS 35 HZ2 LYS 35 11.863 6.060 -0.138 220 HZ3 LYS 35 HZ3 LYS 35 10.341 5.690 0.501 221 H LEU 36 HN LEU 36 6.741 6.793 2.554 222 HA LEU 36 HA LEU 36 6.295 6.010 5.159 223 HB2 LEU 36 HB2 LEU 36 6.167 3.771 4.378 224 HB3 LEU 36 HB1 LEU 36 5.534 4.810 3.119 225 HG LEU 36 HG LEU 36 8.200 3.406 3.160 226 HD11 LEU 36 HD11 LEU 36 5.988 2.251 2.505 227 HD12 LEU 36 HD12 LEU 36 7.378 2.099 1.429 228 HD13 LEU 36 HD13 LEU 36 6.088 3.239 1.048 229 HD21 LEU 36 HD21 LEU 36 7.153 5.455 1.207 230 HD22 LEU 36 HD22 LEU 36 8.563 4.430 0.935 231 HD23 LEU 36 HD23 LEU 36 8.570 5.608 2.247 232 H THR 37 HN THR 37 7.516 5.397 6.816 233 HA THR 37 HA THR 37 10.226 5.871 6.941 234 HB THR 37 HB THR 37 10.135 4.373 9.011 235 HG1 THR 37 HG1 THR 37 8.324 3.383 9.461 236 HG21 THR 37 HG21 THR 37 8.304 5.920 10.068 237 HG22 THR 37 HG22 THR 37 8.493 6.794 8.546 238 HG23 THR 37 HG23 THR 37 9.885 6.548 9.603 239 HA PRO 38 HA PRO 38 12.671 2.701 5.147 240 HB2 PRO 38 HB2 PRO 38 13.756 2.405 7.925 241 HB3 PRO 38 HB1 PRO 38 14.627 2.519 6.389 242 HG2 PRO 38 HG2 PRO 38 14.466 4.630 7.976 243 HG3 PRO 38 HG1 PRO 38 14.281 4.817 6.221 244 HD2 PRO 38 HD2 PRO 38 12.215 4.901 8.364 245 HD3 PRO 38 HD1 PRO 38 12.284 5.781 6.824 246 H GLY 39 HN GLY 39 12.628 0.507 4.879 247 HA2 GLY 39 HA2 GLY 39 12.291 -1.736 5.492 248 HA3 GLY 39 HA1 GLY 39 11.587 -1.193 7.008 249 H SER 40 HN SER 40 9.642 0.557 6.057 250 HA SER 40 HA SER 40 7.571 -1.258 5.395 251 HB2 SER 40 HB2 SER 40 6.108 0.607 5.504 252 HB3 SER 40 HB1 SER 40 7.374 0.944 6.686 253 HG SER 40 HG SER 40 7.985 2.601 5.544 254 H GLN 41 HN GLN 41 7.293 -2.157 3.462 255 HA GLN 41 HA GLN 41 8.408 -1.056 1.074 256 HB2 GLN 41 HB2 GLN 41 6.329 -3.235 1.206 257 HB3 GLN 41 HB1 GLN 41 7.548 -2.975 -0.034 258 HG2 GLN 41 HG2 GLN 41 9.112 -3.305 2.145 259 HG3 GLN 41 HG1 GLN 41 7.744 -4.338 2.557 260 HE21 GLN 41 HE21 GLN 41 10.083 -3.654 0.003 261 HE22 GLN 41 HE22 GLN 41 10.154 -5.267 -0.611 262 H CYS 42 HN CYS 42 5.147 -1.318 2.412 263 HA CYS 42 HA CYS 42 4.262 1.033 1.086 264 HB2 CYS 42 HB2 CYS 42 4.199 -0.480 -0.844 265 HB3 CYS 42 HB1 CYS 42 3.174 -1.593 0.056 266 H ASN 43 HN ASN 43 2.158 1.678 1.738 267 HA ASN 43 HA ASN 43 1.129 0.129 4.017 268 HB2 ASN 43 HB2 ASN 43 2.142 2.571 4.249 269 HB3 ASN 43 HB1 ASN 43 0.514 3.028 3.755 270 HD21 ASN 43 HD21 ASN 43 2.157 3.100 6.338 271 HD22 ASN 43 HD22 ASN 43 1.062 2.483 7.524 272 H TYR 44 HN TYR 44 0.311 1.841 1.078 273 HA TYR 44 HA TYR 44 -2.402 0.727 1.300 274 HB2 TYR 44 HB2 TYR 44 -3.459 2.700 0.906 275 HB3 TYR 44 HB1 TYR 44 -2.004 3.366 1.636 276 HD1 TYR 44 HD2 TYR 44 -3.376 2.407 -1.710 277 HD2 TYR 44 HD1 TYR 44 -0.841 5.014 0.505 278 HE1 TYR 44 HE2 TYR 44 -2.972 3.727 -3.739 279 HE2 TYR 44 HE1 TYR 44 -0.430 6.344 -1.525 280 HH TYR 44 HH TYR 44 -0.671 5.521 -4.344 281 H GLY 45 HN GLY 45 -3.170 -0.248 -0.482 282 HA2 GLY 45 HA2 GLY 45 -2.932 0.160 -3.084 283 HA3 GLY 45 HA1 GLY 45 -1.341 -0.498 -2.739 284 H GLU 46 HN GLU 46 -2.831 -1.806 -4.515 285 HA GLU 46 HA GLU 46 -4.583 -3.765 -3.522 286 HB2 GLU 46 HB2 GLU 46 -2.978 -3.435 -6.017 287 HB3 GLU 46 HB1 GLU 46 -3.728 -4.992 -5.696 288 HG2 GLU 46 HG2 GLU 46 -5.550 -4.181 -6.659 289 HG3 GLU 46 HG1 GLU 46 -5.758 -3.184 -5.221 290 H CYS 47 HN CYS 47 -1.107 -3.600 -3.577 291 HA CYS 47 HA CYS 47 -0.977 -6.386 -2.602 292 HB2 CYS 47 HB2 CYS 47 0.777 -4.781 -4.372 293 HB3 CYS 47 HB1 CYS 47 1.573 -5.888 -3.265 294 H CYS 48 HN CYS 48 -1.150 -3.491 -1.261 295 HA CYS 48 HA CYS 48 1.190 -3.760 0.470 296 HB2 CYS 48 HB2 CYS 48 -0.838 -1.537 0.571 297 HB3 CYS 48 HB1 CYS 48 0.828 -1.524 1.143 298 H ASP 49 HN ASP 49 1.106 -4.449 2.502 299 HA ASP 49 HA ASP 49 -1.339 -4.359 4.033 300 HB2 ASP 49 HB2 ASP 49 -1.155 -6.550 2.523 301 HB3 ASP 49 HB1 ASP 49 -0.155 -7.085 3.870 302 H GLN 50 HN GLN 50 -0.473 -3.338 5.728 303 HA GLN 50 HA GLN 50 0.802 -2.893 7.558 304 HB2 GLN 50 HB2 GLN 50 -0.060 -5.376 7.867 305 HB3 GLN 50 HB1 GLN 50 1.653 -5.747 7.730 306 HG2 GLN 50 HG2 GLN 50 2.169 -4.783 9.718 307 HG3 GLN 50 HG1 GLN 50 0.873 -3.593 9.604 308 HE21 GLN 50 HE21 GLN 50 -0.006 -3.926 11.588 309 HE22 GLN 50 HE22 GLN 50 -0.776 -5.397 12.064 310 H CYS 51 HN CYS 51 2.188 -2.027 5.575 311 HA CYS 51 HA CYS 51 4.255 -1.546 4.755 312 HB2 CYS 51 HB2 CYS 51 5.690 -2.790 7.020 313 HB3 CYS 51 HB1 CYS 51 5.826 -1.169 6.353 314 H ARG 52 HN ARG 52 3.117 -4.349 4.362 315 HA ARG 52 HA ARG 52 5.591 -5.473 3.283 316 HB2 ARG 52 HB2 ARG 52 3.808 -6.770 5.296 317 HB3 ARG 52 HB1 ARG 52 4.556 -7.777 4.064 318 HG2 ARG 52 HG2 ARG 52 6.097 -5.930 5.870 319 HG3 ARG 52 HG1 ARG 52 5.807 -7.635 6.218 320 HD2 ARG 52 HD2 ARG 52 7.250 -8.349 4.614 321 HD3 ARG 52 HD1 ARG 52 6.922 -6.978 3.556 322 HE ARG 52 HE ARG 52 8.732 -5.938 4.459 323 HH11 ARG 52 HH11 ARG 52 7.628 -8.352 6.724 324 HH12 ARG 52 HH12 ARG 52 8.934 -8.091 7.831 325 HH21 ARG 52 HH21 ARG 52 10.450 -5.593 5.914 326 HH22 ARG 52 HH22 ARG 52 10.536 -6.524 7.372 327 H PHE 53 HN PHE 53 5.342 -6.211 1.262 328 HA PHE 53 HA PHE 53 2.914 -5.873 -0.106 329 HB2 PHE 53 HB2 PHE 53 5.486 -7.251 -0.829 330 HB3 PHE 53 HB1 PHE 53 4.101 -7.288 -1.916 331 HD1 PHE 53 HD1 PHE 53 3.070 -4.506 -1.375 332 HD2 PHE 53 HD2 PHE 53 6.993 -5.986 -2.107 333 HE1 PHE 53 HE1 PHE 53 3.717 -2.322 -2.279 334 HE2 PHE 53 HE2 PHE 53 7.650 -3.794 -3.013 335 HZ PHE 53 HZ PHE 53 6.012 -1.957 -3.101 336 H LYS 54 HN LYS 54 1.337 -7.277 -0.770 337 HA LYS 54 HA LYS 54 0.763 -9.490 0.852 338 HB2 LYS 54 HB2 LYS 54 -0.289 -8.650 -1.848 339 HB3 LYS 54 HB1 LYS 54 -0.909 -10.054 -0.990 340 HG2 LYS 54 HG2 LYS 54 -0.839 -7.354 0.303 341 HG3 LYS 54 HG1 LYS 54 -2.163 -7.833 -0.762 342 HD2 LYS 54 HD2 LYS 54 -2.212 -9.963 0.760 343 HD3 LYS 54 HD1 LYS 54 -1.386 -8.912 1.911 344 HE2 LYS 54 HE2 LYS 54 -3.213 -7.607 2.239 345 HE3 LYS 54 HE1 LYS 54 -3.782 -7.801 0.581 346 HZ1 LYS 54 HZ1 LYS 54 -4.059 -9.740 2.809 347 HZ2 LYS 54 HZ2 LYS 54 -4.428 -10.106 1.199 348 HZ3 LYS 54 HZ3 LYS 54 -5.298 -8.906 2.014 349 H LYS 55 HN LYS 55 2.241 -11.097 0.960 350 HA LYS 55 HA LYS 55 4.068 -12.086 -0.672 351 HB2 LYS 55 HB2 LYS 55 3.502 -13.094 1.500 352 HB3 LYS 55 HB1 LYS 55 2.084 -13.844 0.780 353 HG2 LYS 55 HG2 LYS 55 3.469 -15.206 -0.643 354 HG3 LYS 55 HG1 LYS 55 4.921 -14.384 -0.070 355 HD2 LYS 55 HD2 LYS 55 3.938 -15.182 2.282 356 HD3 LYS 55 HD1 LYS 55 3.245 -16.439 1.255 357 HE2 LYS 55 HE2 LYS 55 6.101 -15.813 0.827 358 HE3 LYS 55 HE1 LYS 55 5.692 -16.601 2.350 359 HZ1 LYS 55 HZ1 LYS 55 6.135 -18.317 0.836 360 HZ2 LYS 55 HZ2 LYS 55 5.230 -17.598 -0.398 361 HZ3 LYS 55 HZ3 LYS 55 4.447 -18.265 0.944 362 H ALA 56 HN ALA 56 4.270 -12.876 -2.661 363 HA ALA 56 HA ALA 56 2.437 -12.839 -4.619 364 HB1 ALA 56 HB1 ALA 56 4.506 -13.312 -5.449 365 HB2 ALA 56 HB2 ALA 56 3.761 -14.906 -5.573 366 HB3 ALA 56 HB3 ALA 56 4.840 -14.538 -4.226 367 H GLY 57 HN GLY 57 0.661 -13.888 -5.196 368 HA2 GLY 57 HA2 GLY 57 -0.466 -16.063 -5.478 369 HA3 GLY 57 HA1 GLY 57 0.107 -16.477 -3.866 370 H THR 58 HN THR 58 -0.537 -13.439 -3.338 371 HA THR 58 HA THR 58 -3.128 -13.962 -2.205 372 HB THR 58 HB THR 58 -1.519 -11.395 -2.336 373 HG1 THR 58 HG1 THR 58 -1.746 -13.409 -0.353 374 HG21 THR 58 HG21 THR 58 -3.118 -10.336 -1.243 375 HG22 THR 58 HG22 THR 58 -3.314 -11.668 -0.101 376 HG23 THR 58 HG23 THR 58 -4.179 -11.691 -1.640 377 H VAL 59 HN VAL 59 -4.894 -13.933 -3.457 378 HA VAL 59 HA VAL 59 -4.977 -12.605 -5.965 379 HB VAL 59 HB VAL 59 -6.311 -14.622 -5.554 380 HG11 VAL 59 HG11 VAL 59 -6.918 -13.555 -3.150 381 HG12 VAL 59 HG12 VAL 59 -7.816 -14.873 -3.902 382 HG13 VAL 59 HG13 VAL 59 -8.402 -13.215 -4.041 383 HG21 VAL 59 HG21 VAL 59 -7.341 -12.154 -6.663 384 HG22 VAL 59 HG22 VAL 59 -8.635 -13.218 -6.113 385 HG23 VAL 59 HG23 VAL 59 -7.450 -13.801 -7.282 386 H CYS 60 HN CYS 60 -5.223 -10.489 -6.278 387 HA CYS 60 HA CYS 60 -6.602 -8.910 -4.224 388 HB2 CYS 60 HB2 CYS 60 -4.961 -7.851 -6.519 389 HB3 CYS 60 HB1 CYS 60 -5.485 -6.979 -5.084 390 H ARG 61 HN ARG 61 -6.900 -10.023 -7.473 391 HA ARG 61 HA ARG 61 -9.507 -8.762 -7.688 392 HB2 ARG 61 HB2 ARG 61 -7.369 -7.469 -8.844 393 HB3 ARG 61 HB1 ARG 61 -7.991 -8.429 -10.179 394 HG2 ARG 61 HG2 ARG 61 -10.292 -7.432 -9.366 395 HG3 ARG 61 HG1 ARG 61 -9.247 -6.174 -8.711 396 HD2 ARG 61 HD2 ARG 61 -9.861 -6.874 -11.526 397 HD3 ARG 61 HD1 ARG 61 -9.622 -5.297 -10.782 398 HE ARG 61 HE ARG 61 -7.710 -6.740 -12.219 399 HH11 ARG 61 HH11 ARG 61 -7.971 -4.894 -9.264 400 HH12 ARG 61 HH12 ARG 61 -6.292 -4.475 -9.235 401 HH21 ARG 61 HH21 ARG 61 -5.509 -6.186 -12.178 402 HH22 ARG 61 HH22 ARG 61 -4.896 -5.204 -10.891 403 H ILE 62 HN ILE 62 -10.338 -9.341 -10.082 404 HA ILE 62 HA ILE 62 -9.522 -11.702 -11.315 405 HB ILE 62 HB ILE 62 -10.158 -12.868 -9.296 406 HG12 ILE 62 HG12 ILE 62 -11.920 -14.381 -10.216 407 HG13 ILE 62 HG11 ILE 62 -12.174 -13.228 -11.522 408 HG21 ILE 62 HG21 ILE 62 -13.008 -12.063 -9.560 409 HG22 ILE 62 HG22 ILE 62 -11.882 -10.966 -8.757 410 HG23 ILE 62 HG23 ILE 62 -12.114 -12.602 -8.137 411 HD11 ILE 62 HD11 ILE 62 -9.756 -14.912 -10.972 412 HD12 ILE 62 HD12 ILE 62 -9.727 -13.539 -12.078 413 HD13 ILE 62 HD13 ILE 62 -10.794 -14.906 -12.398 414 H ALA 63 HN ALA 63 -10.539 -11.874 -13.214 415 HA ALA 63 HA ALA 63 -12.263 -9.823 -14.038 416 HB1 ALA 63 HB1 ALA 63 -12.493 -11.926 -15.899 417 HB2 ALA 63 HB2 ALA 63 -10.841 -11.950 -15.281 418 HB3 ALA 63 HB3 ALA 63 -11.493 -10.479 -15.999 419 H ARG 64 HN ARG 64 -13.382 -13.031 -14.887 420 HA ARG 64 HA ARG 64 -15.675 -12.767 -13.102 421 HB2 ARG 64 HB2 ARG 64 -15.761 -12.605 -16.073 422 HB3 ARG 64 HB1 ARG 64 -17.044 -13.499 -15.269 423 HG2 ARG 64 HG2 ARG 64 -16.299 -10.623 -14.782 424 HG3 ARG 64 HG1 ARG 64 -17.718 -11.210 -15.652 425 HD2 ARG 64 HD2 ARG 64 -18.010 -12.530 -13.323 426 HD3 ARG 64 HD1 ARG 64 -17.181 -11.083 -12.752 427 HE ARG 64 HE ARG 64 -19.884 -11.268 -13.578 428 HH11 ARG 64 HH11 ARG 64 -17.123 -9.135 -13.674 429 HH12 ARG 64 HH12 ARG 64 -18.081 -7.696 -13.772 430 HH21 ARG 64 HH21 ARG 64 -21.145 -9.376 -13.707 431 HH22 ARG 64 HH22 ARG 64 -20.364 -7.832 -13.790 432 H GLY 65 HN GLY 65 -14.782 -14.607 -12.034 433 HA2 GLY 65 HA2 GLY 65 -15.655 -16.963 -11.991 434 HA3 GLY 65 HA1 GLY 65 -14.983 -17.095 -13.610 435 H ASP 66 HN ASP 66 -12.937 -17.701 -13.857 436 HA ASP 66 HA ASP 66 -10.820 -17.214 -12.137 437 HB2 ASP 66 HB2 ASP 66 -10.527 -19.552 -11.185 438 HB3 ASP 66 HB1 ASP 66 -11.805 -18.582 -10.458 439 H TRP 67 HN TRP 67 -9.782 -16.909 -14.057 440 HA TRP 67 HA TRP 67 -9.165 -19.339 -15.608 441 HB2 TRP 67 HB2 TRP 67 -8.575 -17.100 -17.210 442 HB3 TRP 67 HB1 TRP 67 -9.891 -18.245 -17.428 443 HD1 TRP 67 HD1 TRP 67 -9.314 -14.979 -15.347 444 HE1 TRP 67 HE1 TRP 67 -11.506 -13.666 -15.366 445 HE3 TRP 67 HE3 TRP 67 -12.184 -18.234 -18.041 446 HZ2 TRP 67 HZ2 TRP 67 -14.110 -13.946 -16.400 447 HZ3 TRP 67 HZ3 TRP 67 -14.525 -17.629 -18.511 448 HH2 TRP 67 HH2 TRP 67 -15.468 -15.525 -17.705 449 H ASN 68 HN ASN 68 -7.901 -16.068 -15.320 450 HA ASN 68 HA ASN 68 -5.186 -17.143 -15.007 451 HB2 ASN 68 HB2 ASN 68 -5.772 -14.260 -15.577 452 HB3 ASN 68 HB1 ASN 68 -4.359 -15.213 -16.012 453 HD21 ASN 68 HD21 ASN 68 -7.821 -14.862 -16.687 454 HD22 ASN 68 HD22 ASN 68 -7.724 -15.346 -18.341 455 H ASP 69 HN ASP 69 -7.639 -15.098 -13.625 456 HA ASP 69 HA ASP 69 -7.895 -14.151 -11.582 457 HB2 ASP 69 HB2 ASP 69 -5.843 -16.253 -11.025 458 HB3 ASP 69 HB1 ASP 69 -6.305 -15.113 -9.767 459 H ASP 70 HN ASP 70 -6.864 -12.798 -9.943 460 HA ASP 70 HA ASP 70 -4.498 -11.444 -11.033 461 HB2 ASP 70 HB2 ASP 70 -6.563 -10.052 -10.951 462 HB3 ASP 70 HB1 ASP 70 -6.634 -10.316 -9.216 463 H TYR 71 HN TYR 71 -2.688 -11.753 -9.906 464 HA TYR 71 HA TYR 71 -2.958 -12.220 -7.019 465 HB2 TYR 71 HB2 TYR 71 -1.510 -13.878 -9.046 466 HB3 TYR 71 HB1 TYR 71 -1.035 -13.889 -7.349 467 HD1 TYR 71 HD2 TYR 71 -2.834 -14.389 -5.646 468 HD2 TYR 71 HD1 TYR 71 -3.260 -15.237 -9.777 469 HE1 TYR 71 HE2 TYR 71 -4.587 -16.003 -5.103 470 HE2 TYR 71 HE1 TYR 71 -5.032 -16.855 -9.280 471 HH TYR 71 HH TYR 71 -5.632 -18.327 -7.124 472 H CYS 72 HN CYS 72 -1.377 -11.570 -5.708 473 HA CYS 72 HA CYS 72 0.271 -9.422 -6.580 474 HB2 CYS 72 HB2 CYS 72 -0.777 -9.824 -4.258 475 HB3 CYS 72 HB1 CYS 72 0.594 -10.893 -3.975 476 H THR 73 HN THR 73 2.641 -9.361 -6.180 477 HA THR 73 HA THR 73 3.887 -11.957 -6.804 478 HB THR 73 HB THR 73 5.350 -10.936 -8.340 479 HG1 THR 73 HG1 THR 73 5.563 -8.699 -8.517 480 HG21 THR 73 HG21 THR 73 3.145 -9.132 -9.046 481 HG22 THR 73 HG22 THR 73 2.706 -10.830 -8.851 482 HG23 THR 73 HG23 THR 73 3.960 -10.369 -10.004 483 H GLY 74 HN GLY 74 3.602 -9.715 -4.445 484 HA2 GLY 74 HA2 GLY 74 4.800 -9.249 -2.551 485 HA3 GLY 74 HA1 GLY 74 5.732 -10.694 -2.911 486 H LYS 75 HN LYS 75 5.661 -8.174 -5.279 487 HA LYS 75 HA LYS 75 8.270 -7.190 -4.354 488 HB2 LYS 75 HB2 LYS 75 7.664 -7.837 -7.238 489 HB3 LYS 75 HB1 LYS 75 9.204 -7.326 -6.563 490 HG2 LYS 75 HG2 LYS 75 9.776 -9.424 -6.160 491 HG3 LYS 75 HG1 LYS 75 8.311 -9.685 -5.213 492 HD2 LYS 75 HD2 LYS 75 7.996 -11.233 -6.869 493 HD3 LYS 75 HD1 LYS 75 7.204 -9.836 -7.600 494 HE2 LYS 75 HE2 LYS 75 10.110 -10.189 -8.088 495 HE3 LYS 75 HE1 LYS 75 9.005 -11.295 -8.903 496 HZ1 LYS 75 HZ1 LYS 75 8.392 -8.438 -9.012 497 HZ2 LYS 75 HZ2 LYS 75 8.140 -9.642 -10.173 498 HZ3 LYS 75 HZ3 LYS 75 9.686 -8.994 -9.950 499 H SER 76 HN SER 76 5.226 -6.296 -4.898 500 HA SER 76 HA SER 76 5.886 -3.549 -5.213 501 HB2 SER 76 HB2 SER 76 6.148 -4.080 -7.545 502 HB3 SER 76 HB1 SER 76 4.616 -4.953 -7.569 503 HG SER 76 HG SER 76 5.093 -2.302 -7.866 504 H SER 77 HN SER 77 3.839 -2.201 -5.531 505 HA SER 77 HA SER 77 1.824 -3.238 -3.706 506 HB2 SER 77 HB2 SER 77 0.937 -0.846 -3.901 507 HB3 SER 77 HB1 SER 77 2.529 -1.035 -3.168 508 HG SER 77 HG SER 77 1.868 0.404 -5.291 509 H ASP 78 HN ASP 78 2.208 -3.763 -6.801 510 HA ASP 78 HA ASP 78 -0.603 -3.258 -7.521 511 HB2 ASP 78 HB2 ASP 78 1.907 -3.384 -9.158 512 HB3 ASP 78 HB1 ASP 78 0.354 -3.746 -9.906 513 H CYS 79 HN CYS 79 -1.851 -4.899 -8.340 514 HA CYS 79 HA CYS 79 -0.730 -7.622 -8.112 515 HB2 CYS 79 HB2 CYS 79 -2.934 -6.434 -6.777 516 HB3 CYS 79 HB1 CYS 79 -3.590 -7.617 -7.903 517 HA PRO 80 HA PRO 80 -1.805 -7.368 -12.540 518 HB2 PRO 80 HB2 PRO 80 -0.561 -9.713 -13.199 519 HB3 PRO 80 HB1 PRO 80 0.264 -8.154 -13.095 520 HG2 PRO 80 HG2 PRO 80 0.137 -10.369 -11.086 521 HG3 PRO 80 HG1 PRO 80 1.520 -9.365 -11.562 522 HD2 PRO 80 HD2 PRO 80 0.144 -8.912 -9.292 523 HD3 PRO 80 HD1 PRO 80 0.845 -7.588 -10.244 524 H TRP 81 HN TRP 81 -3.665 -8.023 -13.335 525 HA TRP 81 HA TRP 81 -4.962 -10.386 -12.230 526 HB2 TRP 81 HB2 TRP 81 -7.050 -9.450 -13.126 527 HB3 TRP 81 HB1 TRP 81 -6.247 -8.376 -11.993 528 HD1 TRP 81 HD1 TRP 81 -4.190 -7.084 -14.230 529 HE1 TRP 81 HE1 TRP 81 -5.179 -5.378 -15.865 530 HE3 TRP 81 HE3 TRP 81 -9.074 -8.388 -13.839 531 HZ2 TRP 81 HZ2 TRP 81 -7.732 -4.670 -16.850 532 HZ3 TRP 81 HZ3 TRP 81 -10.756 -7.154 -15.156 533 HH2 TRP 81 HH2 TRP 81 -10.090 -5.330 -16.639 534 H ASN 82 HN ASN 82 -3.156 -9.716 -14.799 535 HA ASN 82 HA ASN 82 -2.900 -10.510 -16.929 536 HB2 ASN 82 HB2 ASN 82 -3.984 -12.967 -15.541 537 HB3 ASN 82 HB1 ASN 82 -3.117 -12.967 -17.074 538 HD21 ASN 82 HD21 ASN 82 -2.020 -14.524 -15.345 539 HD22 ASN 82 HD22 ASN 82 -0.626 -13.834 -14.593 540 H HIS 83 HN HIS 83 -5.325 -9.113 -16.702 541 HA HIS 83 HA HIS 83 -6.932 -10.576 -18.679 542 HB2 HIS 83 HB2 HIS 83 -8.115 -8.936 -16.433 543 HB3 HIS 83 HB1 HIS 83 -8.998 -9.852 -17.649 544 HD1 HIS 83 HD1 HIS 83 -8.834 -10.179 -14.371 545 HD2 HIS 83 HD2 HIS 83 -7.341 -12.694 -17.318 546 HE1 HIS 83 HE1 HIS 83 -8.621 -12.434 -13.284 547 HE2 HIS 83 HE2 HIS 83 -7.614 -13.910 -15.055 Start of MODEL 29 1 H1 SER 1 HT1 SER 1 -7.481 16.178 17.145 2 H2 SER 1 HT2 SER 1 -6.266 15.082 17.659 3 H3 SER 1 HT3 SER 1 -5.963 16.153 16.353 4 HA SER 1 HA SER 1 -6.694 17.820 18.313 5 HB2 SER 1 HB2 SER 1 -5.517 15.336 19.439 6 HB3 SER 1 HB1 SER 1 -4.880 16.856 20.066 7 HG SER 1 HG SER 1 -7.327 15.685 20.452 8 HA PRO 2 HA PRO 2 -1.963 18.205 17.611 9 HB2 PRO 2 HB2 PRO 2 -0.606 16.154 16.494 10 HB3 PRO 2 HB1 PRO 2 -0.903 16.256 18.234 11 HG2 PRO 2 HG2 PRO 2 -2.349 14.659 16.155 12 HG3 PRO 2 HG1 PRO 2 -1.841 14.177 17.784 13 HD2 PRO 2 HD2 PRO 2 -4.385 14.929 17.181 14 HD3 PRO 2 HD1 PRO 2 -3.656 15.174 18.780 15 HA PRO 3 HA PRO 3 -2.349 19.427 13.367 16 HB2 PRO 3 HB2 PRO 3 0.154 20.342 12.886 17 HB3 PRO 3 HB1 PRO 3 -1.006 21.220 13.891 18 HG2 PRO 3 HG2 PRO 3 1.255 19.442 14.721 19 HG3 PRO 3 HG1 PRO 3 0.753 21.003 15.396 20 HD2 PRO 3 HD2 PRO 3 0.112 18.639 16.553 21 HD3 PRO 3 HD1 PRO 3 -0.947 20.062 16.637 22 H VAL 4 HN VAL 4 -2.398 18.332 11.597 23 HA VAL 4 HA VAL 4 -1.131 15.894 11.219 24 HB VAL 4 HB VAL 4 -1.903 17.254 8.751 25 HG11 VAL 4 HG11 VAL 4 -2.371 14.690 10.131 26 HG12 VAL 4 HG12 VAL 4 -1.954 15.015 8.453 27 HG13 VAL 4 HG13 VAL 4 -3.616 15.210 8.998 28 HG21 VAL 4 HG21 VAL 4 -3.855 17.179 11.028 29 HG22 VAL 4 HG22 VAL 4 -4.374 17.171 9.343 30 HG23 VAL 4 HG23 VAL 4 -3.446 18.532 9.972 31 H CYS 5 HN CYS 5 1.098 16.184 11.524 32 HA CYS 5 HA CYS 5 2.566 18.153 10.114 33 HB2 CYS 5 HB2 CYS 5 4.433 17.357 11.198 34 HB3 CYS 5 HB1 CYS 5 3.182 16.739 12.260 35 H GLY 6 HN GLY 6 2.240 18.168 8.009 36 HA2 GLY 6 HA2 GLY 6 3.212 17.455 5.906 37 HA3 GLY 6 HA1 GLY 6 3.089 15.796 6.478 38 H ASN 7 HN ASN 7 0.398 17.709 7.295 39 HA ASN 7 HA ASN 7 -1.771 17.754 6.611 40 HB2 ASN 7 HB2 ASN 7 -0.282 17.610 4.027 41 HB3 ASN 7 HB1 ASN 7 -2.025 17.358 3.998 42 HD21 ASN 7 HD21 ASN 7 -3.087 19.059 5.654 43 HD22 ASN 7 HD22 ASN 7 -2.666 20.694 5.288 44 H LYS 8 HN LYS 8 -3.285 16.277 6.951 45 HA LYS 8 HA LYS 8 -2.843 13.581 7.196 46 HB2 LYS 8 HB2 LYS 8 -5.002 15.225 7.570 47 HB3 LYS 8 HB1 LYS 8 -5.549 14.227 6.230 48 HG2 LYS 8 HG2 LYS 8 -4.566 13.234 8.898 49 HG3 LYS 8 HG1 LYS 8 -6.244 13.286 8.352 50 HD2 LYS 8 HD2 LYS 8 -5.738 11.709 6.573 51 HD3 LYS 8 HD1 LYS 8 -4.036 11.699 7.041 52 HE2 LYS 8 HE2 LYS 8 -4.698 9.839 8.161 53 HE3 LYS 8 HE1 LYS 8 -5.104 11.037 9.389 54 HZ1 LYS 8 HZ1 LYS 8 -6.863 9.334 8.843 55 HZ2 LYS 8 HZ2 LYS 8 -7.063 10.130 7.365 56 HZ3 LYS 8 HZ3 LYS 8 -7.360 10.951 8.813 57 H ILE 9 HN ILE 9 -1.866 12.422 5.620 58 HA ILE 9 HA ILE 9 -2.041 12.847 2.905 59 HB ILE 9 HB ILE 9 -1.366 10.584 2.469 60 HG12 ILE 9 HG12 ILE 9 -2.658 10.054 4.998 61 HG13 ILE 9 HG11 ILE 9 -2.203 8.947 3.708 62 HG21 ILE 9 HG21 ILE 9 0.344 12.102 3.110 63 HG22 ILE 9 HG22 ILE 9 0.688 10.540 3.850 64 HG23 ILE 9 HG23 ILE 9 0.000 11.841 4.817 65 HD11 ILE 9 HD11 ILE 9 0.147 9.070 4.703 66 HD12 ILE 9 HD12 ILE 9 -1.084 8.147 5.565 67 HD13 ILE 9 HD13 ILE 9 -0.643 9.760 6.121 68 H LEU 10 HN LEU 10 -3.623 12.891 1.598 69 HA LEU 10 HA LEU 10 -6.023 11.314 2.100 70 HB2 LEU 10 HB2 LEU 10 -7.173 12.789 0.652 71 HB3 LEU 10 HB1 LEU 10 -6.158 13.785 1.674 72 HG LEU 10 HG LEU 10 -5.936 13.250 -1.263 73 HD11 LEU 10 HD11 LEU 10 -5.730 15.643 -1.371 74 HD12 LEU 10 HD12 LEU 10 -5.616 15.751 0.387 75 HD13 LEU 10 HD13 LEU 10 -7.122 15.228 -0.370 76 HD21 LEU 10 HD21 LEU 10 -3.714 12.691 -0.263 77 HD22 LEU 10 HD22 LEU 10 -3.660 14.325 0.402 78 HD23 LEU 10 HD23 LEU 10 -3.689 14.083 -1.344 79 H GLU 11 HN GLU 11 -3.389 10.326 1.001 80 HA GLU 11 HA GLU 11 -4.226 8.335 -0.669 81 HB2 GLU 11 HB2 GLU 11 -3.326 9.241 -2.901 82 HB3 GLU 11 HB1 GLU 11 -4.925 9.762 -2.388 83 HG2 GLU 11 HG2 GLU 11 -4.283 11.903 -2.091 84 HG3 GLU 11 HG1 GLU 11 -2.668 11.455 -1.540 85 H GLN 12 HN GLN 12 -2.304 8.455 1.287 86 HA GLN 12 HA GLN 12 0.081 7.779 -0.259 87 HB2 GLN 12 HB2 GLN 12 0.092 9.610 2.129 88 HB3 GLN 12 HB1 GLN 12 1.529 8.881 1.444 89 HG2 GLN 12 HG2 GLN 12 1.650 10.812 0.316 90 HG3 GLN 12 HG1 GLN 12 0.508 10.012 -0.762 91 HE21 GLN 12 HE21 GLN 12 1.114 12.771 0.917 92 HE22 GLN 12 HE22 GLN 12 -0.488 13.410 1.013 93 H GLY 13 HN GLY 13 -0.991 7.918 3.124 94 HA2 GLY 13 HA2 GLY 13 -1.000 6.326 4.786 95 HA3 GLY 13 HA1 GLY 13 -1.006 5.119 3.507 96 H GLU 14 HN GLU 14 1.501 7.404 3.420 97 HA GLU 14 HA GLU 14 3.570 7.169 4.792 98 HB2 GLU 14 HB2 GLU 14 4.758 5.090 4.765 99 HB3 GLU 14 HB1 GLU 14 3.132 4.759 5.333 100 HG2 GLU 14 HG2 GLU 14 2.516 3.819 3.223 101 HG3 GLU 14 HG1 GLU 14 4.029 4.346 2.495 102 H ASP 15 HN ASP 15 2.260 7.049 1.814 103 HA ASP 15 HA ASP 15 4.396 6.731 0.061 104 HB2 ASP 15 HB2 ASP 15 1.787 7.134 -0.273 105 HB3 ASP 15 HB1 ASP 15 2.312 8.799 -0.480 106 H CYS 16 HN CYS 16 3.214 9.584 1.799 107 HA CYS 16 HA CYS 16 5.604 10.762 2.285 108 HB2 CYS 16 HB2 CYS 16 6.370 11.193 0.192 109 HB3 CYS 16 HB1 CYS 16 4.759 11.189 -0.512 110 H ASP 17 HN ASP 17 5.181 12.141 3.820 111 HA ASP 17 HA ASP 17 4.308 13.904 4.958 112 HB2 ASP 17 HB2 ASP 17 3.497 14.449 2.321 113 HB3 ASP 17 HB1 ASP 17 2.054 14.642 3.309 114 H CYS 18 HN CYS 18 3.601 11.381 5.629 115 HA CYS 18 HA CYS 18 1.151 10.398 5.774 116 HB2 CYS 18 HB2 CYS 18 3.366 10.157 7.402 117 HB3 CYS 18 HB1 CYS 18 2.118 10.721 8.515 118 H GLY 19 HN GLY 19 2.127 13.338 7.466 119 HA2 GLY 19 HA2 GLY 19 0.839 15.052 8.335 120 HA3 GLY 19 HA1 GLY 19 -0.522 14.360 7.471 121 H SER 20 HN SER 20 -1.205 12.127 8.498 122 HA SER 20 HA SER 20 -2.369 12.676 10.915 123 HB2 SER 20 HB2 SER 20 -3.083 10.446 10.983 124 HB3 SER 20 HB1 SER 20 -2.849 10.759 9.264 125 HG SER 20 HG SER 20 -0.834 9.722 9.409 126 HA PRO 21 HA PRO 21 1.378 12.752 13.347 127 HB2 PRO 21 HB2 PRO 21 -0.615 13.318 15.465 128 HB3 PRO 21 HB1 PRO 21 0.857 14.195 15.034 129 HG2 PRO 21 HG2 PRO 21 -1.556 15.156 14.394 130 HG3 PRO 21 HG1 PRO 21 -0.168 15.341 13.307 131 HD2 PRO 21 HD2 PRO 21 -2.468 13.443 13.134 132 HD3 PRO 21 HD1 PRO 21 -1.616 14.293 11.831 133 H ALA 22 HN ALA 22 -1.462 10.822 13.745 134 HA ALA 22 HA ALA 22 -0.662 9.274 15.956 135 HB1 ALA 22 HB1 ALA 22 -2.812 8.740 15.464 136 HB2 ALA 22 HB2 ALA 22 -2.047 7.479 14.498 137 HB3 ALA 22 HB3 ALA 22 -2.586 8.973 13.731 138 H ASN 23 HN ASN 23 0.530 9.557 12.776 139 HA ASN 23 HA ASN 23 2.356 7.310 13.211 140 HB2 ASN 23 HB2 ASN 23 1.126 7.975 10.531 141 HB3 ASN 23 HB1 ASN 23 2.154 6.598 10.923 142 HD21 ASN 23 HD21 ASN 23 0.951 5.918 13.384 143 HD22 ASN 23 HD22 ASN 23 -0.619 5.280 13.049 144 H CYS 24 HN CYS 24 2.377 10.436 13.278 145 HA CYS 24 HA CYS 24 4.048 11.297 11.181 146 HB2 CYS 24 HB2 CYS 24 3.227 12.400 13.805 147 HB3 CYS 24 HB1 CYS 24 4.747 13.010 13.167 148 H GLN 25 HN GLN 25 5.570 9.586 10.983 149 HA GLN 25 HA GLN 25 7.661 8.718 11.191 150 HB2 GLN 25 HB2 GLN 25 7.934 11.345 12.024 151 HB3 GLN 25 HB1 GLN 25 8.636 10.429 13.350 152 HG2 GLN 25 HG2 GLN 25 9.532 9.433 10.793 153 HG3 GLN 25 HG1 GLN 25 9.868 11.154 10.973 154 HE21 GLN 25 HE21 GLN 25 11.573 11.748 12.139 155 HE22 GLN 25 HE22 GLN 25 12.522 10.700 13.131 156 H ASP 26 HN ASP 26 5.658 7.477 12.565 157 HA ASP 26 HA ASP 26 7.106 6.442 14.894 158 HB2 ASP 26 HB2 ASP 26 5.035 8.108 15.302 159 HB3 ASP 26 HB1 ASP 26 4.154 6.590 15.151 160 H ARG 27 HN ARG 27 3.972 5.847 13.282 161 HA ARG 27 HA ARG 27 3.991 3.089 13.628 162 HB2 ARG 27 HB2 ARG 27 1.963 4.252 13.031 163 HB3 ARG 27 HB1 ARG 27 2.650 4.753 11.494 164 HG2 ARG 27 HG2 ARG 27 1.761 2.951 10.566 165 HG3 ARG 27 HG1 ARG 27 2.840 1.956 11.544 166 HD2 ARG 27 HD2 ARG 27 0.335 2.992 12.777 167 HD3 ARG 27 HD1 ARG 27 0.225 1.647 11.642 168 HE ARG 27 HE ARG 27 2.171 0.855 13.341 169 HH11 ARG 27 HH11 ARG 27 -1.077 2.038 13.826 170 HH12 ARG 27 HH12 ARG 27 -1.321 1.136 15.284 171 HH21 ARG 27 HH21 ARG 27 1.851 -0.332 15.258 172 HH22 ARG 27 HH22 ARG 27 0.340 -0.209 16.097 173 H CYS 28 HN CYS 28 4.062 4.234 10.293 174 HA CYS 28 HA CYS 28 6.632 3.027 9.793 175 HB2 CYS 28 HB2 CYS 28 5.937 1.292 8.343 176 HB3 CYS 28 HB1 CYS 28 4.925 1.135 9.773 177 H CYS 29 HN CYS 29 5.433 5.647 9.536 178 HA CYS 29 HA CYS 29 6.020 6.074 6.696 179 HB2 CYS 29 HB2 CYS 29 4.127 7.607 6.450 180 HB3 CYS 29 HB1 CYS 29 3.583 5.975 6.825 181 H ASN 30 HN ASN 30 6.384 8.298 6.151 182 HA ASN 30 HA ASN 30 7.639 9.762 8.370 183 HB2 ASN 30 HB2 ASN 30 8.415 9.310 5.525 184 HB3 ASN 30 HB1 ASN 30 8.851 10.832 6.275 185 HD21 ASN 30 HD21 ASN 30 9.305 9.919 8.871 186 HD22 ASN 30 HD22 ASN 30 10.708 8.914 8.866 187 H ALA 31 HN ALA 31 5.749 10.772 8.903 188 HA ALA 31 HA ALA 31 4.225 12.355 7.097 189 HB1 ALA 31 HB1 ALA 31 3.055 13.134 9.029 190 HB2 ALA 31 HB2 ALA 31 4.409 12.719 10.075 191 HB3 ALA 31 HB3 ALA 31 3.453 11.447 9.337 192 H ALA 32 HN ALA 32 7.058 12.773 9.017 193 HA ALA 32 HA ALA 32 7.180 15.637 8.358 194 HB1 ALA 32 HB1 ALA 32 8.890 15.781 10.093 195 HB2 ALA 32 HB2 ALA 32 8.783 14.038 10.348 196 HB3 ALA 32 HB3 ALA 32 7.401 15.072 10.721 197 H THR 33 HN THR 33 7.949 13.020 6.758 198 HA THR 33 HA THR 33 10.461 14.149 5.770 199 HB THR 33 HB THR 33 10.564 11.270 5.682 200 HG1 THR 33 HG1 THR 33 10.293 12.468 8.240 201 HG21 THR 33 HG21 THR 33 12.423 13.056 5.641 202 HG22 THR 33 HG22 THR 33 12.693 11.514 6.453 203 HG23 THR 33 HG23 THR 33 12.302 12.951 7.397 204 H CYS 34 HN CYS 34 7.472 13.558 4.918 205 HA CYS 34 HA CYS 34 6.361 12.981 3.019 206 HB2 CYS 34 HB2 CYS 34 7.292 15.001 2.244 207 HB3 CYS 34 HB1 CYS 34 8.870 14.270 1.986 208 H LYS 35 HN LYS 35 7.268 10.645 3.991 209 HA LYS 35 HA LYS 35 7.456 9.057 1.655 210 HB2 LYS 35 HB2 LYS 35 9.945 9.968 2.732 211 HB3 LYS 35 HB1 LYS 35 9.824 8.226 2.938 212 HG2 LYS 35 HG2 LYS 35 8.980 9.075 0.297 213 HG3 LYS 35 HG1 LYS 35 10.638 9.557 0.661 214 HD2 LYS 35 HD2 LYS 35 10.036 6.829 1.491 215 HD3 LYS 35 HD1 LYS 35 9.826 7.082 -0.243 216 HE2 LYS 35 HE2 LYS 35 12.053 7.673 -0.552 217 HE3 LYS 35 HE1 LYS 35 12.285 8.069 1.150 218 HZ1 LYS 35 HZ1 LYS 35 12.681 5.929 1.687 219 HZ2 LYS 35 HZ2 LYS 35 13.143 5.817 0.064 220 HZ3 LYS 35 HZ3 LYS 35 11.603 5.306 0.541 221 H LEU 36 HN LEU 36 8.247 6.712 2.362 222 HA LEU 36 HA LEU 36 6.570 6.034 4.651 223 HB2 LEU 36 HB2 LEU 36 7.854 3.752 3.427 224 HB3 LEU 36 HB1 LEU 36 6.150 4.108 3.603 225 HG LEU 36 HG LEU 36 6.608 5.686 1.528 226 HD11 LEU 36 HD11 LEU 36 9.109 4.766 1.786 227 HD12 LEU 36 HD12 LEU 36 8.406 5.236 0.239 228 HD13 LEU 36 HD13 LEU 36 8.453 3.536 0.705 229 HD21 LEU 36 HD21 LEU 36 6.416 3.218 0.274 230 HD22 LEU 36 HD22 LEU 36 5.078 4.211 0.849 231 HD23 LEU 36 HD23 LEU 36 5.738 2.941 1.878 232 H THR 37 HN THR 37 7.676 3.867 5.789 233 HA THR 37 HA THR 37 10.206 4.942 6.830 234 HB THR 37 HB THR 37 9.769 3.353 8.746 235 HG1 THR 37 HG1 THR 37 8.203 2.017 8.486 236 HG21 THR 37 HG21 THR 37 7.692 4.701 9.552 237 HG22 THR 37 HG22 THR 37 8.027 5.681 8.123 238 HG23 THR 37 HG23 THR 37 9.260 5.487 9.370 239 HA PRO 38 HA PRO 38 13.001 1.844 5.476 240 HB2 PRO 38 HB2 PRO 38 13.189 1.088 8.372 241 HB3 PRO 38 HB1 PRO 38 14.486 1.324 7.192 242 HG2 PRO 38 HG2 PRO 38 13.947 3.221 8.954 243 HG3 PRO 38 HG1 PRO 38 14.301 3.647 7.268 244 HD2 PRO 38 HD2 PRO 38 11.699 3.634 8.713 245 HD3 PRO 38 HD1 PRO 38 12.255 4.684 7.395 246 H GLY 39 HN GLY 39 12.946 -0.273 4.847 247 HA2 GLY 39 HA2 GLY 39 12.175 -2.421 4.592 248 HA3 GLY 39 HA1 GLY 39 11.682 -2.358 6.277 249 H SER 40 HN SER 40 10.351 0.123 4.353 250 HA SER 40 HA SER 40 7.818 -1.372 4.183 251 HB2 SER 40 HB2 SER 40 8.044 1.634 4.314 252 HB3 SER 40 HB1 SER 40 6.620 0.634 4.598 253 HG SER 40 HG SER 40 7.202 0.467 6.601 254 H GLN 41 HN GLN 41 6.954 -1.663 2.234 255 HA GLN 41 HA GLN 41 8.167 -0.249 -0.037 256 HB2 GLN 41 HB2 GLN 41 6.765 -2.895 0.226 257 HB3 GLN 41 HB1 GLN 41 6.954 -2.123 -1.342 258 HG2 GLN 41 HG2 GLN 41 9.489 -2.000 -0.345 259 HG3 GLN 41 HG1 GLN 41 8.906 -3.528 0.313 260 HE21 GLN 41 HE21 GLN 41 8.718 -5.254 -0.995 261 HE22 GLN 41 HE22 GLN 41 9.079 -5.246 -2.685 262 H CYS 42 HN CYS 42 5.086 -1.048 1.462 263 HA CYS 42 HA CYS 42 3.827 1.273 0.409 264 HB2 CYS 42 HB2 CYS 42 3.778 -0.124 -1.618 265 HB3 CYS 42 HB1 CYS 42 2.933 -1.384 -0.725 266 H ASN 43 HN ASN 43 1.936 1.755 1.485 267 HA ASN 43 HA ASN 43 1.258 -0.099 3.652 268 HB2 ASN 43 HB2 ASN 43 1.997 2.081 4.418 269 HB3 ASN 43 HB1 ASN 43 0.789 2.875 3.414 270 HD21 ASN 43 HD21 ASN 43 -1.304 2.980 4.099 271 HD22 ASN 43 HD22 ASN 43 -1.816 2.482 5.672 272 H TYR 44 HN TYR 44 -0.125 1.755 1.003 273 HA TYR 44 HA TYR 44 -2.641 0.277 1.398 274 HB2 TYR 44 HB2 TYR 44 -3.977 2.150 1.147 275 HB3 TYR 44 HB1 TYR 44 -2.620 2.822 2.044 276 HD1 TYR 44 HD1 TYR 44 -3.833 2.332 -1.452 277 HD2 TYR 44 HD2 TYR 44 -1.552 4.721 1.233 278 HE1 TYR 44 HE1 TYR 44 -3.481 3.981 -3.227 279 HE2 TYR 44 HE2 TYR 44 -1.184 6.371 -0.538 280 HH TYR 44 HH TYR 44 -2.932 6.673 -3.168 281 H GLY 45 HN GLY 45 -3.706 -0.382 -0.443 282 HA2 GLY 45 HA2 GLY 45 -3.771 0.218 -2.967 283 HA3 GLY 45 HA1 GLY 45 -2.089 -0.286 -2.887 284 H GLU 46 HN GLU 46 -3.521 -1.626 -4.628 285 HA GLU 46 HA GLU 46 -5.034 -3.805 -3.749 286 HB2 GLU 46 HB2 GLU 46 -3.443 -3.219 -6.212 287 HB3 GLU 46 HB1 GLU 46 -4.083 -4.839 -5.970 288 HG2 GLU 46 HG2 GLU 46 -6.248 -4.184 -6.229 289 HG3 GLU 46 HG1 GLU 46 -5.940 -2.549 -5.643 290 H CYS 47 HN CYS 47 -1.583 -3.327 -3.918 291 HA CYS 47 HA CYS 47 -1.186 -6.062 -2.879 292 HB2 CYS 47 HB2 CYS 47 0.236 -4.500 -4.949 293 HB3 CYS 47 HB1 CYS 47 1.254 -5.420 -3.851 294 H CYS 48 HN CYS 48 -1.736 -3.798 -1.189 295 HA CYS 48 HA CYS 48 0.866 -3.615 0.176 296 HB2 CYS 48 HB2 CYS 48 -1.172 -1.399 0.227 297 HB3 CYS 48 HB1 CYS 48 0.515 -1.341 0.731 298 H ASP 49 HN ASP 49 0.880 -4.311 2.183 299 HA ASP 49 HA ASP 49 -1.447 -4.063 3.885 300 HB2 ASP 49 HB2 ASP 49 -1.356 -6.345 2.462 301 HB3 ASP 49 HB1 ASP 49 -0.341 -6.818 3.821 302 H GLN 50 HN GLN 50 -0.704 -3.344 5.748 303 HA GLN 50 HA GLN 50 0.593 -3.005 7.587 304 HB2 GLN 50 HB2 GLN 50 0.517 -5.647 7.386 305 HB3 GLN 50 HB1 GLN 50 2.228 -5.440 7.036 306 HG2 GLN 50 HG2 GLN 50 2.591 -4.366 9.146 307 HG3 GLN 50 HG1 GLN 50 0.861 -4.350 9.484 308 HE21 GLN 50 HE21 GLN 50 0.892 -5.562 11.310 309 HE22 GLN 50 HE22 GLN 50 1.358 -7.225 11.356 310 H CYS 51 HN CYS 51 1.371 -1.763 5.195 311 HA CYS 51 HA CYS 51 3.075 -0.511 4.363 312 HB2 CYS 51 HB2 CYS 51 4.943 -1.377 6.529 313 HB3 CYS 51 HB1 CYS 51 4.731 0.212 5.805 314 H ARG 52 HN ARG 52 2.845 -3.516 3.906 315 HA ARG 52 HA ARG 52 5.422 -3.774 2.538 316 HB2 ARG 52 HB2 ARG 52 4.184 -6.002 4.167 317 HB3 ARG 52 HB1 ARG 52 5.673 -6.095 3.236 318 HG2 ARG 52 HG2 ARG 52 5.343 -4.130 5.475 319 HG3 ARG 52 HG1 ARG 52 5.859 -5.794 5.762 320 HD2 ARG 52 HD2 ARG 52 7.228 -3.764 4.001 321 HD3 ARG 52 HD1 ARG 52 7.789 -4.337 5.571 322 HE ARG 52 HE ARG 52 8.140 -5.625 3.056 323 HH11 ARG 52 HH11 ARG 52 7.679 -6.239 6.460 324 HH12 ARG 52 HH12 ARG 52 8.471 -7.778 6.418 325 HH21 ARG 52 HH21 ARG 52 9.181 -7.650 2.998 326 HH22 ARG 52 HH22 ARG 52 9.324 -8.579 4.452 327 H PHE 53 HN PHE 53 5.377 -5.240 0.719 328 HA PHE 53 HA PHE 53 2.897 -5.134 -0.677 329 HB2 PHE 53 HB2 PHE 53 5.563 -6.369 -1.339 330 HB3 PHE 53 HB1 PHE 53 4.165 -6.566 -2.393 331 HD1 PHE 53 HD2 PHE 53 3.052 -3.743 -1.824 332 HD2 PHE 53 HD1 PHE 53 6.892 -5.188 -2.935 333 HE1 PHE 53 HE2 PHE 53 3.530 -1.606 -2.896 334 HE2 PHE 53 HE1 PHE 53 7.387 -3.033 -4.016 335 HZ PHE 53 HZ PHE 53 5.705 -1.233 -3.999 336 H LYS 54 HN LYS 54 1.434 -6.689 -1.136 337 HA LYS 54 HA LYS 54 1.142 -8.834 0.665 338 HB2 LYS 54 HB2 LYS 54 -0.190 -8.065 -1.909 339 HB3 LYS 54 HB1 LYS 54 -0.535 -9.630 -1.187 340 HG2 LYS 54 HG2 LYS 54 -1.559 -8.697 0.666 341 HG3 LYS 54 HG1 LYS 54 -0.763 -7.138 0.445 342 HD2 LYS 54 HD2 LYS 54 -2.309 -6.413 -1.036 343 HD3 LYS 54 HD1 LYS 54 -2.509 -8.007 -1.765 344 HE2 LYS 54 HE2 LYS 54 -3.820 -8.708 0.205 345 HE3 LYS 54 HE1 LYS 54 -3.669 -7.078 0.860 346 HZ1 LYS 54 HZ1 LYS 54 -5.740 -7.827 -0.568 347 HZ2 LYS 54 HZ2 LYS 54 -4.741 -7.344 -1.844 348 HZ3 LYS 54 HZ3 LYS 54 -5.145 -6.244 -0.624 349 H LYS 55 HN LYS 55 2.340 -10.623 0.748 350 HA LYS 55 HA LYS 55 4.276 -11.477 -0.934 351 HB2 LYS 55 HB2 LYS 55 3.821 -12.497 1.255 352 HB3 LYS 55 HB1 LYS 55 2.389 -13.277 0.597 353 HG2 LYS 55 HG2 LYS 55 3.981 -14.959 0.576 354 HG3 LYS 55 HG1 LYS 55 4.001 -14.360 -1.084 355 HD2 LYS 55 HD2 LYS 55 5.886 -12.789 -0.185 356 HD3 LYS 55 HD1 LYS 55 6.018 -14.001 1.091 357 HE2 LYS 55 HE2 LYS 55 5.994 -14.836 -1.780 358 HE3 LYS 55 HE1 LYS 55 7.475 -14.214 -1.055 359 HZ1 LYS 55 HZ1 LYS 55 6.821 -15.971 0.782 360 HZ2 LYS 55 HZ2 LYS 55 7.719 -16.404 -0.585 361 HZ3 LYS 55 HZ3 LYS 55 6.056 -16.713 -0.533 362 H ALA 56 HN ALA 56 4.401 -12.172 -2.961 363 HA ALA 56 HA ALA 56 2.464 -12.231 -4.818 364 HB1 ALA 56 HB1 ALA 56 4.596 -12.538 -5.664 365 HB2 ALA 56 HB2 ALA 56 3.835 -14.103 -5.955 366 HB3 ALA 56 HB3 ALA 56 4.936 -13.897 -4.592 367 H GLY 57 HN GLY 57 0.698 -13.369 -5.256 368 HA2 GLY 57 HA2 GLY 57 -0.298 -15.620 -5.507 369 HA3 GLY 57 HA1 GLY 57 0.407 -16.009 -3.942 370 H THR 58 HN THR 58 -0.402 -12.994 -3.404 371 HA THR 58 HA THR 58 -2.864 -13.671 -2.068 372 HB THR 58 HB THR 58 -1.345 -11.061 -2.323 373 HG1 THR 58 HG1 THR 58 -0.152 -12.098 -0.936 374 HG21 THR 58 HG21 THR 58 -3.095 -11.303 -0.034 375 HG22 THR 58 HG22 THR 58 -3.977 -11.298 -1.561 376 HG23 THR 58 HG23 THR 58 -2.881 -9.969 -1.168 377 H VAL 59 HN VAL 59 -4.626 -13.882 -3.361 378 HA VAL 59 HA VAL 59 -4.988 -12.561 -5.813 379 HB VAL 59 HB VAL 59 -6.226 -14.607 -5.243 380 HG11 VAL 59 HG11 VAL 59 -7.601 -14.844 -3.482 381 HG12 VAL 59 HG12 VAL 59 -8.261 -13.217 -3.647 382 HG13 VAL 59 HG13 VAL 59 -6.712 -13.463 -2.841 383 HG21 VAL 59 HG21 VAL 59 -7.433 -12.189 -6.322 384 HG22 VAL 59 HG22 VAL 59 -8.623 -13.338 -5.712 385 HG23 VAL 59 HG23 VAL 59 -7.461 -13.841 -6.939 386 H CYS 60 HN CYS 60 -5.310 -10.461 -6.147 387 HA CYS 60 HA CYS 60 -6.629 -8.886 -4.043 388 HB2 CYS 60 HB2 CYS 60 -5.195 -7.688 -6.389 389 HB3 CYS 60 HB1 CYS 60 -5.510 -6.980 -4.810 390 H ARG 61 HN ARG 61 -6.945 -9.990 -7.298 391 HA ARG 61 HA ARG 61 -9.616 -8.874 -7.445 392 HB2 ARG 61 HB2 ARG 61 -7.789 -8.333 -9.767 393 HB3 ARG 61 HB1 ARG 61 -9.345 -7.604 -9.398 394 HG2 ARG 61 HG2 ARG 61 -8.286 -6.494 -7.441 395 HG3 ARG 61 HG1 ARG 61 -6.730 -7.117 -7.993 396 HD2 ARG 61 HD2 ARG 61 -8.543 -5.395 -9.674 397 HD3 ARG 61 HD1 ARG 61 -7.236 -4.760 -8.677 398 HE ARG 61 HE ARG 61 -6.524 -6.799 -10.625 399 HH11 ARG 61 HH11 ARG 61 -6.656 -3.397 -9.836 400 HH12 ARG 61 HH12 ARG 61 -5.476 -2.953 -11.021 401 HH21 ARG 61 HH21 ARG 61 -4.976 -6.209 -12.183 402 HH22 ARG 61 HH22 ARG 61 -4.524 -4.546 -12.353 403 H ILE 62 HN ILE 62 -10.434 -9.411 -9.846 404 HA ILE 62 HA ILE 62 -9.484 -11.703 -11.141 405 HB ILE 62 HB ILE 62 -10.121 -12.991 -9.228 406 HG12 ILE 62 HG12 ILE 62 -11.859 -14.468 -10.161 407 HG13 ILE 62 HG11 ILE 62 -12.285 -13.226 -11.333 408 HG21 ILE 62 HG21 ILE 62 -11.817 -11.078 -8.572 409 HG22 ILE 62 HG22 ILE 62 -12.002 -12.726 -7.972 410 HG23 ILE 62 HG23 ILE 62 -12.967 -12.170 -9.342 411 HD11 ILE 62 HD11 ILE 62 -10.951 -14.572 -12.597 412 HD12 ILE 62 HD12 ILE 62 -9.921 -15.019 -11.237 413 HD13 ILE 62 HD13 ILE 62 -9.755 -13.431 -11.986 414 H ALA 63 HN ALA 63 -10.423 -11.824 -13.079 415 HA ALA 63 HA ALA 63 -12.096 -9.809 -13.983 416 HB1 ALA 63 HB1 ALA 63 -11.261 -10.618 -15.863 417 HB2 ALA 63 HB2 ALA 63 -12.478 -11.889 -15.784 418 HB3 ALA 63 HB3 ALA 63 -10.873 -12.159 -15.104 419 H ARG 64 HN ARG 64 -13.409 -12.981 -14.698 420 HA ARG 64 HA ARG 64 -15.685 -12.486 -12.933 421 HB2 ARG 64 HB2 ARG 64 -15.960 -12.920 -15.912 422 HB3 ARG 64 HB1 ARG 64 -17.292 -12.875 -14.766 423 HG2 ARG 64 HG2 ARG 64 -15.403 -10.570 -15.118 424 HG3 ARG 64 HG1 ARG 64 -16.853 -10.770 -16.103 425 HD2 ARG 64 HD2 ARG 64 -17.046 -10.885 -13.123 426 HD3 ARG 64 HD1 ARG 64 -16.934 -9.323 -13.935 427 HE ARG 64 HE ARG 64 -19.222 -10.971 -13.769 428 HH11 ARG 64 HH11 ARG 64 -17.523 -8.887 -15.994 429 HH12 ARG 64 HH12 ARG 64 -18.947 -8.472 -16.887 430 HH21 ARG 64 HH21 ARG 64 -21.096 -10.426 -14.943 431 HH22 ARG 64 HH22 ARG 64 -20.976 -9.344 -16.291 432 H GLY 65 HN GLY 65 -14.920 -14.324 -11.775 433 HA2 GLY 65 HA2 GLY 65 -15.949 -16.611 -11.619 434 HA3 GLY 65 HA1 GLY 65 -15.282 -16.870 -13.225 435 H ASP 66 HN ASP 66 -13.264 -17.609 -13.428 436 HA ASP 66 HA ASP 66 -11.140 -17.161 -11.709 437 HB2 ASP 66 HB2 ASP 66 -12.904 -18.793 -10.416 438 HB3 ASP 66 HB1 ASP 66 -11.848 -19.974 -11.184 439 H TRP 67 HN TRP 67 -10.062 -17.021 -13.631 440 HA TRP 67 HA TRP 67 -9.559 -19.568 -15.031 441 HB2 TRP 67 HB2 TRP 67 -8.822 -17.433 -16.731 442 HB3 TRP 67 HB1 TRP 67 -10.164 -18.552 -16.938 443 HD1 TRP 67 HD1 TRP 67 -9.523 -15.181 -15.075 444 HE1 TRP 67 HE1 TRP 67 -11.685 -13.814 -15.206 445 HE3 TRP 67 HE3 TRP 67 -12.470 -18.549 -17.531 446 HZ2 TRP 67 HZ2 TRP 67 -14.286 -14.104 -16.216 447 HZ3 TRP 67 HZ3 TRP 67 -14.795 -17.922 -18.052 448 HH2 TRP 67 HH2 TRP 67 -15.684 -15.740 -17.407 449 H ASN 68 HN ASN 68 -8.127 -16.357 -14.904 450 HA ASN 68 HA ASN 68 -5.477 -17.553 -14.503 451 HB2 ASN 68 HB2 ASN 68 -5.890 -14.664 -15.185 452 HB3 ASN 68 HB1 ASN 68 -4.547 -15.724 -15.600 453 HD21 ASN 68 HD21 ASN 68 -7.964 -15.111 -16.263 454 HD22 ASN 68 HD22 ASN 68 -7.934 -15.684 -17.892 455 H ASP 69 HN ASP 69 -7.829 -15.328 -13.216 456 HA ASP 69 HA ASP 69 -8.063 -14.314 -11.202 457 HB2 ASP 69 HB2 ASP 69 -6.175 -16.542 -10.560 458 HB3 ASP 69 HB1 ASP 69 -6.529 -15.329 -9.335 459 H ASP 70 HN ASP 70 -7.247 -12.616 -10.010 460 HA ASP 70 HA ASP 70 -4.758 -11.506 -11.030 461 HB2 ASP 70 HB2 ASP 70 -6.920 -10.156 -10.844 462 HB3 ASP 70 HB1 ASP 70 -6.673 -10.196 -9.104 463 H TYR 71 HN TYR 71 -2.901 -11.702 -9.942 464 HA TYR 71 HA TYR 71 -3.069 -12.076 -7.033 465 HB2 TYR 71 HB2 TYR 71 -1.663 -13.767 -9.051 466 HB3 TYR 71 HB1 TYR 71 -1.056 -13.662 -7.398 467 HD1 TYR 71 HD2 TYR 71 -2.672 -14.152 -5.530 468 HD2 TYR 71 HD1 TYR 71 -3.427 -15.206 -9.562 469 HE1 TYR 71 HE2 TYR 71 -4.321 -15.787 -4.764 470 HE2 TYR 71 HE1 TYR 71 -5.102 -16.838 -8.836 471 HH TYR 71 HH TYR 71 -6.495 -16.886 -5.929 472 H CYS 72 HN CYS 72 -1.416 -11.397 -5.790 473 HA CYS 72 HA CYS 72 0.058 -9.164 -6.740 474 HB2 CYS 72 HB2 CYS 72 -0.814 -9.715 -4.342 475 HB3 CYS 72 HB1 CYS 72 0.706 -10.591 -4.184 476 H THR 73 HN THR 73 2.430 -8.964 -6.466 477 HA THR 73 HA THR 73 3.803 -11.477 -7.146 478 HB THR 73 HB THR 73 5.028 -10.449 -8.847 479 HG1 THR 73 HG1 THR 73 4.309 -8.004 -7.627 480 HG21 THR 73 HG21 THR 73 2.341 -10.342 -9.087 481 HG22 THR 73 HG22 THR 73 3.477 -9.910 -10.366 482 HG23 THR 73 HG23 THR 73 2.769 -8.651 -9.352 483 H GLY 74 HN GLY 74 3.502 -9.210 -4.823 484 HA2 GLY 74 HA2 GLY 74 4.794 -8.550 -3.051 485 HA3 GLY 74 HA1 GLY 74 5.780 -9.963 -3.397 486 H LYS 75 HN LYS 75 5.380 -7.508 -5.822 487 HA LYS 75 HA LYS 75 8.008 -6.381 -5.156 488 HB2 LYS 75 HB2 LYS 75 7.202 -7.228 -7.941 489 HB3 LYS 75 HB1 LYS 75 8.743 -6.535 -7.458 490 HG2 LYS 75 HG2 LYS 75 9.555 -8.527 -6.927 491 HG3 LYS 75 HG1 LYS 75 8.160 -8.894 -5.912 492 HD2 LYS 75 HD2 LYS 75 7.962 -10.542 -7.491 493 HD3 LYS 75 HD1 LYS 75 6.987 -9.274 -8.237 494 HE2 LYS 75 HE2 LYS 75 9.445 -8.656 -9.190 495 HE3 LYS 75 HE1 LYS 75 9.575 -10.409 -9.058 496 HZ1 LYS 75 HZ1 LYS 75 8.664 -9.365 -11.217 497 HZ2 LYS 75 HZ2 LYS 75 7.221 -9.203 -10.351 498 HZ3 LYS 75 HZ3 LYS 75 7.899 -10.735 -10.583 499 H SER 76 HN SER 76 4.922 -5.621 -5.405 500 HA SER 76 HA SER 76 5.401 -2.877 -5.908 501 HB2 SER 76 HB2 SER 76 3.599 -3.090 -7.946 502 HB3 SER 76 HB1 SER 76 5.343 -2.959 -8.169 503 HG SER 76 HG SER 76 5.074 -4.791 -9.177 504 H SER 77 HN SER 77 3.288 -1.628 -6.074 505 HA SER 77 HA SER 77 1.447 -2.709 -4.093 506 HB2 SER 77 HB2 SER 77 0.473 -0.373 -4.189 507 HB3 SER 77 HB1 SER 77 2.156 -0.460 -3.672 508 HG SER 77 HG SER 77 1.913 1.166 -5.212 509 H ASP 78 HN ASP 78 1.631 -3.278 -7.189 510 HA ASP 78 HA ASP 78 -1.253 -2.933 -7.684 511 HB2 ASP 78 HB2 ASP 78 0.903 -3.272 -9.777 512 HB3 ASP 78 HB1 ASP 78 -0.791 -2.873 -10.049 513 H CYS 79 HN CYS 79 -2.427 -4.650 -8.484 514 HA CYS 79 HA CYS 79 -1.091 -7.280 -8.358 515 HB2 CYS 79 HB2 CYS 79 -3.185 -6.318 -6.800 516 HB3 CYS 79 HB1 CYS 79 -3.977 -7.345 -7.988 517 HA PRO 80 HA PRO 80 -2.443 -7.176 -12.700 518 HB2 PRO 80 HB2 PRO 80 -0.978 -9.315 -13.489 519 HB3 PRO 80 HB1 PRO 80 -0.281 -7.704 -13.281 520 HG2 PRO 80 HG2 PRO 80 -0.232 -10.044 -11.411 521 HG3 PRO 80 HG1 PRO 80 1.084 -8.940 -11.855 522 HD2 PRO 80 HD2 PRO 80 -0.300 -8.688 -9.546 523 HD3 PRO 80 HD1 PRO 80 0.351 -7.288 -10.421 524 H TRP 81 HN TRP 81 -4.078 -8.218 -13.708 525 HA TRP 81 HA TRP 81 -5.614 -10.154 -12.318 526 HB2 TRP 81 HB2 TRP 81 -6.131 -10.031 -15.195 527 HB3 TRP 81 HB1 TRP 81 -7.221 -9.755 -13.845 528 HD1 TRP 81 HD1 TRP 81 -4.824 -7.895 -16.191 529 HE1 TRP 81 HE1 TRP 81 -5.370 -5.381 -16.063 530 HE3 TRP 81 HE3 TRP 81 -8.159 -8.008 -12.352 531 HZ2 TRP 81 HZ2 TRP 81 -7.014 -3.678 -14.528 532 HZ3 TRP 81 HZ3 TRP 81 -9.192 -5.897 -11.604 533 HH2 TRP 81 HH2 TRP 81 -8.625 -3.772 -12.672 534 H ASN 82 HN ASN 82 -2.972 -10.422 -14.428 535 HA ASN 82 HA ASN 82 -1.768 -12.258 -15.098 536 HB2 ASN 82 HB2 ASN 82 -2.814 -13.327 -12.976 537 HB3 ASN 82 HB1 ASN 82 -3.945 -14.082 -14.095 538 HD21 ASN 82 HD21 ASN 82 -1.728 -15.107 -12.335 539 HD22 ASN 82 HD22 ASN 82 -0.769 -16.087 -13.385 540 H HIS 83 HN HIS 83 -3.992 -10.872 -16.502 541 HA HIS 83 HA HIS 83 -4.966 -12.949 -18.315 542 HB2 HIS 83 HB2 HIS 83 -5.701 -10.016 -18.112 543 HB3 HIS 83 HB1 HIS 83 -6.474 -11.199 -19.166 544 HD1 HIS 83 HD1 HIS 83 -7.967 -9.592 -16.902 545 HD2 HIS 83 HD2 HIS 83 -6.535 -13.475 -16.580 546 HE1 HIS 83 HE1 HIS 83 -9.299 -10.651 -15.050 547 HE2 HIS 83 HE2 HIS 83 -8.363 -12.976 -14.822
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