NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
588980 | 2mmo | 16147 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA SER 1 HA SER 1 7.280 10.253 -1.447 2 HB2 SER 1 HB2 SER 1 7.306 10.979 -4.323 3 HB3 SER 1 HB3 SER 1 5.856 11.429 -3.423 4 HG SER 1 HG SER 1 7.034 13.073 -2.838 5 H VAL 2 HN VAL 2 5.951 8.736 -0.519 6 HA VAL 2 HA VAL 2 4.217 7.030 -1.960 7 HB VAL 2 HB VAL 2 3.866 7.933 0.912 8 HG11 VAL 2 HG11 VAL 2 2.902 5.544 -0.649 9 HG12 VAL 2 HG12 VAL 2 2.832 5.658 1.109 10 HG13 VAL 2 HG13 VAL 2 1.924 6.797 0.115 11 HG21 VAL 2 HG21 VAL 2 5.930 6.312 -0.329 12 HG22 VAL 2 HG22 VAL 2 5.836 6.968 1.305 13 HG23 VAL 2 HG23 VAL 2 5.051 5.435 0.923 14 H LYS 3 HN LYS 3 2.059 7.235 -2.494 15 HA LYS 3 HA LYS 3 1.083 9.987 -2.586 16 HB2 LYS 3 HB2 LYS 3 1.104 7.923 -4.451 17 HB3 LYS 3 HB3 LYS 3 -0.580 8.059 -3.962 18 HG2 LYS 3 HG2 LYS 3 0.177 10.656 -4.263 19 HG3 LYS 3 HG3 LYS 3 1.059 9.848 -5.544 20 HD2 LYS 3 HD2 LYS 3 -0.913 9.044 -6.549 21 HD3 LYS 3 HD3 LYS 3 -1.876 9.383 -5.109 22 HE2 LYS 3 HE2 LYS 3 -0.544 11.518 -6.762 23 HE3 LYS 3 HE3 LYS 3 -2.201 10.975 -7.027 24 HZ1 LYS 3 HZ1 LYS 3 -1.197 12.077 -4.460 25 HZ2 LYS 3 HZ2 LYS 3 -2.800 11.695 -4.842 26 HZ3 LYS 3 HZ3 LYS 3 -2.028 12.980 -5.625 27 H ILE 4 HN ILE 4 -0.781 10.670 -1.763 28 HA ILE 4 HA ILE 4 -2.246 8.771 -0.050 29 HB ILE 4 HB ILE 4 -1.131 10.560 1.222 30 HG12 ILE 4 HG12 ILE 4 -3.204 11.446 2.376 31 HG13 ILE 4 HG13 ILE 4 -4.149 10.655 1.118 32 HG21 ILE 4 HG21 ILE 4 -2.962 12.542 -0.090 33 HG22 ILE 4 HG22 ILE 4 -1.557 12.843 0.932 34 HG23 ILE 4 HG23 ILE 4 -1.340 12.224 -0.705 35 HD11 ILE 4 HD11 ILE 4 -3.939 9.376 3.244 36 HD12 ILE 4 HD12 ILE 4 -3.402 8.506 1.807 37 HD13 ILE 4 HD13 ILE 4 -2.216 9.209 2.907 38 H VAL 5 HN VAL 5 -4.075 8.171 -0.983 39 HA VAL 5 HA VAL 5 -5.557 10.152 -2.580 40 HB VAL 5 HB VAL 5 -5.028 8.390 -4.018 41 HG11 VAL 5 HG11 VAL 5 -4.165 6.625 -2.890 42 HG12 VAL 5 HG12 VAL 5 -5.389 6.693 -1.623 43 HG13 VAL 5 HG13 VAL 5 -5.775 5.966 -3.181 44 HG21 VAL 5 HG21 VAL 5 -7.730 7.533 -3.006 45 HG22 VAL 5 HG22 VAL 5 -7.469 8.998 -3.953 46 HG23 VAL 5 HG23 VAL 5 -7.095 7.420 -4.648 47 H THR 6 HN THR 6 -7.409 10.898 -1.786 48 HA THR 6 HA THR 6 -8.560 9.568 0.553 49 HB THR 6 HB THR 6 -9.850 11.751 0.778 50 HG1 THR 6 HG1 THR 6 -8.776 13.517 -0.350 51 HG21 THR 6 HG21 THR 6 -7.849 12.961 1.670 52 HG22 THR 6 HG22 THR 6 -7.994 11.294 2.229 53 HG23 THR 6 HG23 THR 6 -6.838 11.702 0.961 54 H SER 7 HN SER 7 -9.143 9.406 -2.665 55 HA SER 7 HA SER 7 -12.065 9.333 -2.282 56 HB2 SER 7 HB2 SER 7 -11.042 10.836 -4.107 57 HB3 SER 7 HB3 SER 7 -10.705 9.336 -4.972 58 HG SER 7 HG SER 7 -12.691 10.050 -5.642 59 H GLN 8 HN GLN 8 -13.263 7.575 -3.153 60 HA GLN 8 HA GLN 8 -11.986 5.062 -2.774 61 HB2 GLN 8 HB2 GLN 8 -14.157 4.913 -2.096 62 HB3 GLN 8 HB3 GLN 8 -14.734 6.040 -3.310 63 HG2 GLN 8 HG2 GLN 8 -15.569 3.719 -3.523 64 HG3 GLN 8 HG3 GLN 8 -14.810 4.371 -4.967 65 HE21 GLN 8 HE21 GLN 8 -12.793 3.404 -2.327 66 HE22 GLN 8 HE22 GLN 8 -12.184 1.971 -3.059 67 H SER 9 HN SER 9 -13.399 6.635 -5.638 68 HA SER 9 HA SER 9 -12.675 4.562 -7.431 69 HB2 SER 9 HB2 SER 9 -14.397 5.936 -8.227 70 HB3 SER 9 HB3 SER 9 -13.556 7.418 -7.774 71 HG SER 9 HG SER 9 -12.601 5.656 -9.774 72 H GLU 10 HN GLU 10 -11.091 7.497 -6.323 73 HA GLU 10 HA GLU 10 -9.004 7.547 -8.208 74 HB2 GLU 10 HB2 GLU 10 -9.553 9.415 -6.657 75 HB3 GLU 10 HB3 GLU 10 -8.909 8.463 -5.327 76 HG2 GLU 10 HG2 GLU 10 -7.056 9.660 -5.765 77 HG3 GLU 10 HG3 GLU 10 -6.798 8.392 -6.963 78 H PHE 11 HN PHE 11 -9.452 5.814 -5.183 79 HA PHE 11 HA PHE 11 -6.814 4.771 -4.980 80 HB2 PHE 11 HB2 PHE 11 -8.027 4.614 -2.982 81 HB3 PHE 11 HB3 PHE 11 -9.491 4.102 -3.798 82 HD1 PHE 11 HD2 PHE 11 -6.017 2.900 -3.172 83 HD2 PHE 11 HD1 PHE 11 -10.132 1.926 -3.595 84 HE1 PHE 11 HE2 PHE 11 -5.519 0.559 -2.614 85 HE2 PHE 11 HE1 PHE 11 -9.645 -0.417 -3.043 86 HZ PHE 11 HZ PHE 11 -7.338 -1.100 -2.544 87 H ASP 12 HN ASP 12 -9.861 3.441 -6.160 88 HA ASP 12 HA ASP 12 -8.826 0.989 -7.103 89 HB2 ASP 12 HB2 ASP 12 -11.269 2.579 -7.873 90 HB3 ASP 12 HB3 ASP 12 -10.931 0.980 -8.513 91 H SER 13 HN SER 13 -9.026 4.178 -8.468 92 HA SER 13 HA SER 13 -8.596 3.518 -11.168 93 HB2 SER 13 HB2 SER 13 -9.410 5.733 -10.323 94 HB3 SER 13 HB3 SER 13 -7.777 6.067 -9.762 95 HG SER 13 HG SER 13 -7.758 6.926 -11.734 96 H ILE 14 HN ILE 14 -6.399 4.374 -8.533 97 HA ILE 14 HA ILE 14 -4.026 4.394 -10.047 98 HB ILE 14 HB ILE 14 -4.479 3.680 -7.146 99 HG12 ILE 14 HG12 ILE 14 -5.005 5.885 -7.070 100 HG13 ILE 14 HG13 ILE 14 -3.262 6.108 -7.120 101 HG21 ILE 14 HG21 ILE 14 -2.331 3.164 -6.961 102 HG22 ILE 14 HG22 ILE 14 -2.144 3.357 -8.703 103 HG23 ILE 14 HG23 ILE 14 -1.867 4.729 -7.630 104 HD11 ILE 14 HD11 ILE 14 -3.368 6.455 -9.525 105 HD12 ILE 14 HD12 ILE 14 -5.113 6.201 -9.490 106 HD13 ILE 14 HD13 ILE 14 -4.407 7.593 -8.667 107 H ILE 15 HN ILE 15 -5.791 1.845 -8.476 108 HA ILE 15 HA ILE 15 -3.883 -0.210 -8.647 109 HB ILE 15 HB ILE 15 -6.850 -0.695 -8.806 110 HG12 ILE 15 HG12 ILE 15 -6.514 0.962 -7.068 111 HG13 ILE 15 HG13 ILE 15 -6.837 -0.589 -6.354 112 HG21 ILE 15 HG21 ILE 15 -5.843 -2.453 -7.022 113 HG22 ILE 15 HG22 ILE 15 -5.999 -2.784 -8.753 114 HG23 ILE 15 HG23 ILE 15 -4.453 -2.247 -8.094 115 HD11 ILE 15 HD11 ILE 15 -4.699 1.113 -5.832 116 HD12 ILE 15 HD12 ILE 15 -4.975 -0.513 -5.204 117 HD13 ILE 15 HD13 ILE 15 -4.039 -0.287 -6.682 118 H SER 16 HN SER 16 -6.424 0.789 -10.897 119 HA SER 16 HA SER 16 -5.865 -1.355 -12.758 120 HB2 SER 16 HB2 SER 16 -8.005 0.535 -12.292 121 HB3 SER 16 HB3 SER 16 -7.608 0.425 -14.006 122 HG SER 16 HG SER 16 -8.810 -1.302 -13.902 123 H GLN 17 HN GLN 17 -4.937 1.987 -12.523 124 HA GLN 17 HA GLN 17 -4.298 2.222 -15.332 125 HB2 GLN 17 HB2 GLN 17 -4.258 4.034 -12.992 126 HB3 GLN 17 HB3 GLN 17 -3.164 4.417 -14.311 127 HG2 GLN 17 HG2 GLN 17 -4.817 5.298 -15.476 128 HG3 GLN 17 HG3 GLN 17 -5.718 3.786 -15.389 129 HE21 GLN 17 HE21 GLN 17 -7.711 4.230 -14.817 130 HE22 GLN 17 HE22 GLN 17 -8.192 5.282 -13.535 131 H ASN 18 HN ASN 18 -2.779 0.385 -13.322 132 HA ASN 18 HA ASN 18 -0.195 0.854 -14.531 133 HB2 ASN 18 HB2 ASN 18 -0.475 0.738 -11.527 134 HB3 ASN 18 HB3 ASN 18 1.015 0.949 -12.433 135 HD21 ASN 18 HD21 ASN 18 -2.025 2.436 -11.552 136 HD22 ASN 18 HD22 ASN 18 -1.531 4.066 -11.843 137 H GLU 19 HN GLU 19 1.220 -0.942 -14.425 138 HA GLU 19 HA GLU 19 -0.105 -3.464 -14.436 139 HB2 GLU 19 HB2 GLU 19 2.131 -2.542 -15.630 140 HB3 GLU 19 HB3 GLU 19 2.856 -3.392 -14.272 141 HG2 GLU 19 HG2 GLU 19 1.762 -5.445 -14.928 142 HG3 GLU 19 HG3 GLU 19 0.929 -4.609 -16.238 143 H LEU 20 HN LEU 20 2.227 -1.949 -12.190 144 HA LEU 20 HA LEU 20 1.358 -3.957 -10.234 145 HB2 LEU 20 HB2 LEU 20 3.803 -3.997 -11.290 146 HB3 LEU 20 HB3 LEU 20 4.077 -2.781 -10.066 147 HG LEU 20 HG LEU 20 4.246 -4.287 -8.446 148 HD11 LEU 20 HD11 LEU 20 2.741 -6.215 -8.125 149 HD12 LEU 20 HD12 LEU 20 1.884 -4.679 -8.244 150 HD13 LEU 20 HD13 LEU 20 1.917 -5.787 -9.618 151 HD21 LEU 20 HD21 LEU 20 4.477 -5.895 -10.935 152 HD22 LEU 20 HD22 LEU 20 5.708 -5.480 -9.745 153 HD23 LEU 20 HD23 LEU 20 4.520 -6.730 -9.384 154 H VAL 21 HN VAL 21 0.615 -3.124 -8.364 155 HA VAL 21 HA VAL 21 1.446 -0.402 -7.676 156 HB VAL 21 HB VAL 21 -1.473 -1.099 -7.383 157 HG11 VAL 21 HG11 VAL 21 0.255 1.281 -7.109 158 HG12 VAL 21 HG12 VAL 21 -1.336 1.542 -7.825 159 HG13 VAL 21 HG13 VAL 21 -1.197 0.818 -6.223 160 HG21 VAL 21 HG21 VAL 21 -0.832 -1.390 -9.769 161 HG22 VAL 21 HG22 VAL 21 -1.959 -0.061 -9.496 162 HG23 VAL 21 HG23 VAL 21 -0.250 0.274 -9.773 163 H ILE 22 HN ILE 22 2.035 -0.168 -5.659 164 HA ILE 22 HA ILE 22 1.035 -2.210 -3.748 165 HB ILE 22 HB ILE 22 3.370 -2.495 -3.840 166 HG12 ILE 22 HG12 ILE 22 3.655 -0.759 -1.533 167 HG13 ILE 22 HG13 ILE 22 2.131 -1.639 -1.496 168 HG21 ILE 22 HG21 ILE 22 3.434 0.251 -4.525 169 HG22 ILE 22 HG22 ILE 22 4.488 0.010 -3.134 170 HG23 ILE 22 HG23 ILE 22 4.734 -0.936 -4.599 171 HD11 ILE 22 HD11 ILE 22 3.935 -3.580 -2.188 172 HD12 ILE 22 HD12 ILE 22 4.845 -2.576 -1.060 173 HD13 ILE 22 HD13 ILE 22 3.304 -3.281 -0.569 174 H VAL 23 HN VAL 23 -0.235 -1.531 -2.244 175 HA VAL 23 HA VAL 23 -0.190 1.301 -1.460 176 HB VAL 23 HB VAL 23 -2.049 1.052 -2.998 177 HG11 VAL 23 HG11 VAL 23 -2.329 -1.375 -2.777 178 HG12 VAL 23 HG12 VAL 23 -3.045 -1.136 -1.184 179 HG13 VAL 23 HG13 VAL 23 -3.857 -0.510 -2.618 180 HG21 VAL 23 HG21 VAL 23 -3.884 1.772 -1.561 181 HG22 VAL 23 HG22 VAL 23 -3.031 1.157 -0.146 182 HG23 VAL 23 HG23 VAL 23 -2.366 2.513 -1.055 183 H ASP 24 HN ASP 24 -0.397 1.671 0.654 184 HA ASP 24 HA ASP 24 -0.615 -0.696 2.358 185 HB2 ASP 24 HB2 ASP 24 0.358 0.748 4.120 186 HB3 ASP 24 HB3 ASP 24 1.403 0.590 2.716 187 H PHE 25 HN PHE 25 -2.601 -1.058 3.053 188 HA PHE 25 HA PHE 25 -4.421 1.160 3.559 189 HB2 PHE 25 HB2 PHE 25 -4.815 -1.806 4.116 190 HB3 PHE 25 HB3 PHE 25 -6.070 -0.572 4.007 191 HD1 PHE 25 HD2 PHE 25 -6.718 0.353 1.838 192 HD2 PHE 25 HD1 PHE 25 -3.852 -2.778 2.132 193 HE1 PHE 25 HE2 PHE 25 -6.954 -0.082 -0.566 194 HE2 PHE 25 HE1 PHE 25 -4.077 -3.219 -0.281 195 HZ PHE 25 HZ PHE 25 -5.629 -1.869 -1.655 196 H PHE 26 HN PHE 26 -4.026 2.233 5.370 197 HA PHE 26 HA PHE 26 -3.104 0.642 7.591 198 HB2 PHE 26 HB2 PHE 26 -1.441 2.446 8.157 199 HB3 PHE 26 HB3 PHE 26 -1.256 1.964 6.471 200 HD1 PHE 26 HD2 PHE 26 -2.678 3.389 4.762 201 HD2 PHE 26 HD1 PHE 26 -1.516 4.713 8.638 202 HE1 PHE 26 HE2 PHE 26 -3.031 5.720 4.050 203 HE2 PHE 26 HE1 PHE 26 -1.874 7.050 7.947 204 HZ PHE 26 HZ PHE 26 -2.611 7.561 5.652 205 H ALA 27 HN ALA 27 -3.288 2.896 9.977 206 HA ALA 27 HA ALA 27 -5.593 4.493 9.315 207 HB1 ALA 27 HB1 ALA 27 -6.854 3.639 11.388 208 HB2 ALA 27 HB2 ALA 27 -6.724 2.468 10.063 209 HB3 ALA 27 HB3 ALA 27 -5.670 2.308 11.451 210 H GLU 28 HN GLU 28 -5.647 6.317 10.433 211 HA GLU 28 HA GLU 28 -3.432 7.829 11.092 212 HB2 GLU 28 HB2 GLU 28 -5.908 8.324 12.682 213 HB3 GLU 28 HB3 GLU 28 -4.916 9.380 11.708 214 HG2 GLU 28 HG2 GLU 28 -5.812 8.064 9.708 215 HG3 GLU 28 HG3 GLU 28 -7.020 7.454 10.843 216 H TRP 29 HN TRP 29 -4.278 5.270 14.077 217 HA TRP 29 HA TRP 29 -3.380 7.627 16.226 218 HB2 TRP 29 HB2 TRP 29 -5.023 5.855 17.531 219 HB3 TRP 29 HB3 TRP 29 -5.721 7.107 16.546 220 HD1 TRP 29 HD1 TRP 29 -8.036 6.086 14.667 221 HE1 TRP 29 HE1 TRP 29 -8.648 3.681 14.140 222 HE3 TRP 29 HE3 TRP 29 -4.511 3.358 17.595 223 HZ2 TRP 29 HZ2 TRP 29 -7.973 1.087 14.813 224 HZ3 TRP 29 HZ3 TRP 29 -4.709 0.916 17.547 225 HH2 TRP 29 HH2 TRP 29 -6.426 -0.191 16.216 226 H CYS 30 HN CYS 30 -1.817 4.757 14.273 227 HA CYS 30 HA CYS 30 -0.810 3.706 16.833 228 HB2 CYS 30 HB2 CYS 30 0.071 2.044 14.817 229 HB3 CYS 30 HB3 CYS 30 -1.379 1.781 15.780 230 H GLY 31 HN GLY 31 1.430 3.406 17.089 231 HA2 GLY 31 HA2 GLY 31 3.075 5.451 16.002 232 HA3 GLY 31 HA3 GLY 31 3.618 4.112 16.999 233 HA PRO 32 HA PRO 32 5.189 1.705 13.566 234 HB2 PRO 32 HB2 PRO 32 3.382 -0.234 12.889 235 HB3 PRO 32 HB3 PRO 32 4.475 -0.340 14.270 236 HG2 PRO 32 HG2 PRO 32 1.607 0.564 14.184 237 HG3 PRO 32 HG3 PRO 32 2.362 -0.560 15.319 238 HD2 PRO 32 HD2 PRO 32 1.939 1.931 16.042 239 HD3 PRO 32 HD3 PRO 32 3.480 1.158 16.458 240 H CYS 33 HN CYS 33 1.693 2.202 13.059 241 HA CYS 33 HA CYS 33 1.610 1.983 10.326 242 HB2 CYS 33 HB2 CYS 33 0.078 3.951 12.038 243 HB3 CYS 33 HB3 CYS 33 -0.397 3.384 10.435 244 H LYS 34 HN LYS 34 2.249 5.001 12.136 245 HA LYS 34 HA LYS 34 2.918 6.475 9.771 246 HB2 LYS 34 HB2 LYS 34 4.193 7.552 12.139 247 HB3 LYS 34 HB3 LYS 34 2.950 8.261 11.124 248 HG2 LYS 34 HG2 LYS 34 1.248 6.995 12.395 249 HG3 LYS 34 HG3 LYS 34 2.531 6.407 13.456 250 HD2 LYS 34 HD2 LYS 34 2.601 8.324 14.602 251 HD3 LYS 34 HD3 LYS 34 2.589 9.297 13.130 252 HE2 LYS 34 HE2 LYS 34 0.297 9.456 13.092 253 HE3 LYS 34 HE3 LYS 34 0.072 7.957 13.992 254 HZ1 LYS 34 HZ1 LYS 34 1.406 10.096 15.428 255 HZ2 LYS 34 HZ2 LYS 34 0.218 9.015 15.955 256 HZ3 LYS 34 HZ3 LYS 34 -0.220 10.378 15.056 257 H ARG 35 HN ARG 35 4.670 4.603 12.099 258 HA ARG 35 HA ARG 35 7.294 5.358 11.495 259 HB2 ARG 35 HB2 ARG 35 6.410 4.082 13.516 260 HB3 ARG 35 HB3 ARG 35 6.512 2.643 12.512 261 HG2 ARG 35 HG2 ARG 35 8.485 2.772 13.840 262 HG3 ARG 35 HG3 ARG 35 8.924 3.121 12.167 263 HD2 ARG 35 HD2 ARG 35 8.359 5.611 13.133 264 HD3 ARG 35 HD3 ARG 35 9.052 4.824 14.550 265 HE ARG 35 HE ARG 35 10.423 5.585 12.140 266 HH11 ARG 35 HH11 ARG 35 10.466 3.464 14.911 267 HH12 ARG 35 HH12 ARG 35 12.179 3.217 14.852 268 HH21 ARG 35 HH21 ARG 35 12.677 5.260 12.061 269 HH22 ARG 35 HH22 ARG 35 13.434 4.237 13.235 270 H ILE 36 HN ILE 36 5.202 3.115 9.851 271 HA ILE 36 HA ILE 36 7.373 1.780 8.546 272 HB ILE 36 HB ILE 36 5.213 0.653 9.106 273 HG12 ILE 36 HG12 ILE 36 5.215 -0.758 7.176 274 HG13 ILE 36 HG13 ILE 36 5.810 0.538 6.147 275 HG21 ILE 36 HG21 ILE 36 3.242 1.042 7.993 276 HG22 ILE 36 HG22 ILE 36 3.885 2.674 8.181 277 HG23 ILE 36 HG23 ILE 36 4.041 1.841 6.637 278 HD11 ILE 36 HD11 ILE 36 7.965 0.342 6.950 279 HD12 ILE 36 HD12 ILE 36 7.449 -0.476 8.425 280 HD13 ILE 36 HD13 ILE 36 7.405 -1.328 6.882 281 H ALA 37 HN ALA 37 5.612 4.655 8.043 282 HA ALA 37 HA ALA 37 5.585 4.796 5.225 283 HB1 ALA 37 HB1 ALA 37 4.677 6.829 5.524 284 HB2 ALA 37 HB2 ALA 37 4.578 6.328 7.212 285 HB3 ALA 37 HB3 ALA 37 5.921 7.334 6.667 286 HA PRO 38 HA PRO 38 9.765 7.419 5.919 287 HB2 PRO 38 HB2 PRO 38 10.777 5.651 8.098 288 HB3 PRO 38 HB3 PRO 38 11.030 7.382 7.843 289 HG2 PRO 38 HG2 PRO 38 9.326 6.520 9.696 290 HG3 PRO 38 HG3 PRO 38 8.958 7.948 8.712 291 HD2 PRO 38 HD2 PRO 38 7.853 5.190 8.528 292 HD3 PRO 38 HD3 PRO 38 7.064 6.743 8.215 293 H PHE 39 HN PHE 39 9.729 3.917 6.681 294 HA PHE 39 HA PHE 39 12.030 3.407 5.035 295 HB2 PHE 39 HB2 PHE 39 11.506 1.923 6.912 296 HB3 PHE 39 HB3 PHE 39 9.980 1.475 6.145 297 HD1 PHE 39 HD2 PHE 39 13.660 1.391 5.664 298 HD2 PHE 39 HD1 PHE 39 9.890 -0.275 4.607 299 HE1 PHE 39 HE2 PHE 39 14.802 -0.388 4.404 300 HE2 PHE 39 HE1 PHE 39 11.023 -2.050 3.346 301 HZ PHE 39 HZ PHE 39 13.476 -2.106 3.236 302 H TYR 40 HN TYR 40 8.576 3.292 4.745 303 HA TYR 40 HA TYR 40 8.338 1.982 2.278 304 HB2 TYR 40 HB2 TYR 40 6.600 2.999 4.113 305 HB3 TYR 40 HB3 TYR 40 6.469 4.219 2.837 306 HD1 TYR 40 HD2 TYR 40 7.192 0.908 1.594 307 HD2 TYR 40 HD1 TYR 40 4.049 3.474 2.884 308 HE1 TYR 40 HE2 TYR 40 5.558 -0.521 0.448 309 HE2 TYR 40 HE1 TYR 40 2.413 2.036 1.750 310 HH TYR 40 HH TYR 40 3.136 -1.048 0.618 311 H GLU 41 HN GLU 41 9.049 5.284 3.184 312 HA GLU 41 HA GLU 41 8.775 6.461 0.625 313 HB2 GLU 41 HB2 GLU 41 8.895 8.198 2.049 314 HB3 GLU 41 HB3 GLU 41 9.726 7.245 3.268 315 HG2 GLU 41 HG2 GLU 41 11.833 7.766 2.404 316 HG3 GLU 41 HG3 GLU 41 11.163 8.333 0.875 317 H GLU 42 HN GLU 42 11.505 4.967 2.315 318 HA GLU 42 HA GLU 42 13.484 5.613 0.408 319 HB2 GLU 42 HB2 GLU 42 13.306 3.306 2.357 320 HB3 GLU 42 HB3 GLU 42 14.740 3.694 1.417 321 HG2 GLU 42 HG2 GLU 42 14.225 6.084 2.581 322 HG3 GLU 42 HG3 GLU 42 13.654 4.969 3.821 323 H CYS 43 HN CYS 43 11.356 2.848 0.829 324 HA CYS 43 HA CYS 43 12.252 1.220 -1.274 325 HB2 CYS 43 HB2 CYS 43 9.574 1.489 0.112 326 HB3 CYS 43 HB3 CYS 43 10.007 0.145 -0.919 327 HG CYS 43 HG CYS 43 10.629 0.617 2.265 328 H SER 44 HN SER 44 9.962 3.893 -1.180 329 HA SER 44 HA SER 44 8.889 3.485 -3.774 330 HB2 SER 44 HB2 SER 44 7.860 5.627 -3.501 331 HB3 SER 44 HB3 SER 44 7.866 4.853 -1.912 332 HG SER 44 HG SER 44 9.980 6.075 -1.705 333 H LYS 45 HN LYS 45 11.850 4.924 -2.684 334 HA LYS 45 HA LYS 45 12.276 6.575 -4.973 335 HB2 LYS 45 HB2 LYS 45 13.512 6.076 -2.423 336 HB3 LYS 45 HB3 LYS 45 14.724 6.119 -3.691 337 HG2 LYS 45 HG2 LYS 45 13.315 8.286 -4.366 338 HG3 LYS 45 HG3 LYS 45 13.008 8.266 -2.630 339 HD2 LYS 45 HD2 LYS 45 15.803 7.893 -3.588 340 HD3 LYS 45 HD3 LYS 45 15.104 9.513 -3.633 341 HE2 LYS 45 HE2 LYS 45 14.780 7.940 -1.138 342 HE3 LYS 45 HE3 LYS 45 16.385 8.572 -1.500 343 HZ1 LYS 45 HZ1 LYS 45 13.902 10.197 -1.368 344 HZ2 LYS 45 HZ2 LYS 45 15.464 10.785 -1.641 345 HZ3 LYS 45 HZ3 LYS 45 15.069 10.100 -0.146 346 H THR 46 HN THR 46 13.462 3.366 -4.004 347 HA THR 46 HA THR 46 15.112 3.160 -6.395 348 HB THR 46 HB THR 46 14.843 1.676 -3.829 349 HG1 THR 46 HG1 THR 46 17.192 1.634 -4.211 350 HG21 THR 46 HG21 THR 46 15.475 0.330 -6.431 351 HG22 THR 46 HG22 THR 46 16.293 -0.180 -4.954 352 HG23 THR 46 HG23 THR 46 14.535 -0.259 -5.060 353 H TYR 47 HN TYR 47 12.171 2.017 -5.044 354 HA TYR 47 HA TYR 47 11.699 0.064 -7.087 355 HB2 TYR 47 HB2 TYR 47 9.857 0.896 -4.852 356 HB3 TYR 47 HB3 TYR 47 9.738 -0.552 -5.831 357 HD1 TYR 47 HD1 TYR 47 12.635 -1.373 -5.831 358 HD2 TYR 47 HD2 TYR 47 10.104 0.010 -2.745 359 HE1 TYR 47 HE1 TYR 47 14.038 -2.532 -4.190 360 HE2 TYR 47 HE2 TYR 47 11.487 -1.143 -1.055 361 HH TYR 47 HH TYR 47 14.557 -2.350 -1.753 362 H THR 48 HN THR 48 11.680 3.108 -7.529 363 HA THR 48 HA THR 48 9.178 4.121 -7.933 364 HB THR 48 HB THR 48 10.164 5.655 -9.579 365 HG1 THR 48 HG1 THR 48 12.570 4.173 -9.240 366 HG21 THR 48 HG21 THR 48 11.627 5.052 -7.029 367 HG22 THR 48 HG22 THR 48 12.118 6.392 -8.066 368 HG23 THR 48 HG23 THR 48 10.495 6.359 -7.376 369 H LYS 49 HN LYS 49 10.071 1.345 -9.477 370 HA LYS 49 HA LYS 49 8.788 1.960 -12.016 371 HB2 LYS 49 HB2 LYS 49 9.023 -0.866 -11.666 372 HB3 LYS 49 HB3 LYS 49 9.872 0.167 -12.796 373 HG2 LYS 49 HG2 LYS 49 11.644 -0.753 -11.748 374 HG3 LYS 49 HG3 LYS 49 11.396 0.615 -10.670 375 HD2 LYS 49 HD2 LYS 49 11.686 -1.366 -9.338 376 HD3 LYS 49 HD3 LYS 49 9.995 -0.874 -9.227 377 HE2 LYS 49 HE2 LYS 49 10.680 -2.767 -11.391 378 HE3 LYS 49 HE3 LYS 49 10.766 -3.392 -9.747 379 HZ1 LYS 49 HZ1 LYS 49 8.463 -2.691 -11.326 380 HZ2 LYS 49 HZ2 LYS 49 8.413 -2.075 -9.752 381 HZ3 LYS 49 HZ3 LYS 49 8.589 -3.738 -10.004 382 H MET 50 HN MET 50 8.147 0.595 -8.924 383 HA MET 50 HA MET 50 5.411 -0.311 -9.551 384 HB2 MET 50 HB2 MET 50 7.177 -1.493 -8.029 385 HB3 MET 50 HB3 MET 50 6.762 -0.266 -6.847 386 HG2 MET 50 HG2 MET 50 4.746 -1.194 -6.417 387 HG3 MET 50 HG3 MET 50 4.566 -1.826 -8.045 388 HE1 MET 50 HE1 MET 50 7.598 -3.508 -8.212 389 HE2 MET 50 HE2 MET 50 6.035 -3.551 -9.020 390 HE3 MET 50 HE3 MET 50 6.618 -4.967 -8.154 391 H VAL 51 HN VAL 51 3.615 0.781 -8.707 392 HA VAL 51 HA VAL 51 4.194 3.521 -7.854 393 HB VAL 51 HB VAL 51 1.426 3.353 -7.981 394 HG11 VAL 51 HG11 VAL 51 2.982 4.193 -10.367 395 HG12 VAL 51 HG12 VAL 51 1.634 4.988 -9.555 396 HG13 VAL 51 HG13 VAL 51 3.243 5.027 -8.835 397 HG21 VAL 51 HG21 VAL 51 1.279 1.306 -9.071 398 HG22 VAL 51 HG22 VAL 51 1.150 2.492 -10.362 399 HG23 VAL 51 HG23 VAL 51 2.668 1.639 -10.101 400 H PHE 52 HN PHE 52 4.038 4.192 -5.889 401 HA PHE 52 HA PHE 52 2.773 2.452 -3.903 402 HB2 PHE 52 HB2 PHE 52 4.855 4.618 -3.612 403 HB3 PHE 52 HB3 PHE 52 4.120 3.793 -2.251 404 HD1 PHE 52 HD2 PHE 52 5.754 2.906 -5.456 405 HD2 PHE 52 HD1 PHE 52 5.368 2.110 -1.310 406 HE1 PHE 52 HE2 PHE 52 7.511 1.187 -5.641 407 HE2 PHE 52 HE1 PHE 52 7.128 0.388 -1.468 408 HZ PHE 52 HZ PHE 52 8.212 -0.075 -3.640 409 H ILE 53 HN ILE 53 0.962 3.038 -2.939 410 HA ILE 53 HA ILE 53 0.322 5.909 -2.631 411 HB ILE 53 HB ILE 53 -2.024 5.542 -3.188 412 HG12 ILE 53 HG12 ILE 53 -1.595 2.980 -4.555 413 HG13 ILE 53 HG13 ILE 53 -1.548 2.882 -2.799 414 HG21 ILE 53 HG21 ILE 53 -1.603 4.927 -5.694 415 HG22 ILE 53 HG22 ILE 53 -0.934 6.408 -5.009 416 HG23 ILE 53 HG23 ILE 53 0.092 4.987 -5.209 417 HD11 ILE 53 HD11 ILE 53 -3.756 4.120 -2.826 418 HD12 ILE 53 HD12 ILE 53 -3.792 3.803 -4.561 419 HD13 ILE 53 HD13 ILE 53 -3.770 2.459 -3.418 420 H LYS 54 HN LYS 54 -1.444 6.235 -1.008 421 HA LYS 54 HA LYS 54 -1.495 4.131 1.078 422 HB2 LYS 54 HB2 LYS 54 -0.799 7.055 1.300 423 HB3 LYS 54 HB3 LYS 54 -1.703 6.323 2.608 424 HG2 LYS 54 HG2 LYS 54 0.066 5.073 3.317 425 HG3 LYS 54 HG3 LYS 54 0.808 4.988 1.724 426 HD2 LYS 54 HD2 LYS 54 2.222 6.422 2.855 427 HD3 LYS 54 HD3 LYS 54 1.149 7.533 2.001 428 HE2 LYS 54 HE2 LYS 54 -0.225 7.716 4.050 429 HE3 LYS 54 HE3 LYS 54 0.935 6.688 4.889 430 HZ1 LYS 54 HZ1 LYS 54 2.515 8.604 3.855 431 HZ2 LYS 54 HZ2 LYS 54 1.894 8.618 5.429 432 HZ3 LYS 54 HZ3 LYS 54 1.112 9.484 4.204 433 H VAL 55 HN VAL 55 -3.461 3.670 1.842 434 HA VAL 55 HA VAL 55 -5.599 5.616 1.453 435 HB VAL 55 HB VAL 55 -5.444 2.914 0.226 436 HG11 VAL 55 HG11 VAL 55 -8.044 4.061 1.237 437 HG12 VAL 55 HG12 VAL 55 -7.913 2.748 0.064 438 HG13 VAL 55 HG13 VAL 55 -7.307 2.529 1.708 439 HG21 VAL 55 HG21 VAL 55 -5.230 4.741 -1.236 440 HG22 VAL 55 HG22 VAL 55 -6.850 4.095 -1.492 441 HG23 VAL 55 HG23 VAL 55 -6.627 5.561 -0.538 442 H ASP 56 HN ASP 56 -6.488 5.984 3.310 443 HA ASP 56 HA ASP 56 -6.193 4.176 5.527 444 HB2 ASP 56 HB2 ASP 56 -6.918 5.975 6.869 445 HB3 ASP 56 HB3 ASP 56 -6.048 6.753 5.557 446 H VAL 57 HN VAL 57 -7.947 3.418 6.829 447 HA VAL 57 HA VAL 57 -10.097 2.386 5.205 448 HB VAL 57 HB VAL 57 -10.650 0.981 7.080 449 HG11 VAL 57 HG11 VAL 57 -8.280 0.046 7.578 450 HG12 VAL 57 HG12 VAL 57 -8.904 0.000 5.929 451 HG13 VAL 57 HG13 VAL 57 -7.753 1.250 6.402 452 HG21 VAL 57 HG21 VAL 57 -9.594 1.157 9.244 453 HG22 VAL 57 HG22 VAL 57 -8.609 2.511 8.692 454 HG23 VAL 57 HG23 VAL 57 -10.356 2.695 8.845 455 H ASP 58 HN ASP 58 -9.665 4.867 7.587 456 HA ASP 58 HA ASP 58 -12.375 5.018 8.407 457 HB2 ASP 58 HB2 ASP 58 -11.729 7.103 9.510 458 HB3 ASP 58 HB3 ASP 58 -10.567 5.821 9.825 459 H GLU 59 HN GLU 59 -10.457 7.031 6.171 460 HA GLU 59 HA GLU 59 -12.670 8.715 5.548 461 HB2 GLU 59 HB2 GLU 59 -9.923 8.371 4.439 462 HB3 GLU 59 HB3 GLU 59 -11.106 9.269 3.505 463 HG2 GLU 59 HG2 GLU 59 -10.690 9.951 6.373 464 HG3 GLU 59 HG3 GLU 59 -9.514 10.486 5.174 465 H VAL 60 HN VAL 60 -11.231 5.895 3.938 466 HA VAL 60 HA VAL 60 -13.594 5.865 2.181 467 HB VAL 60 HB VAL 60 -12.013 4.547 0.603 468 HG11 VAL 60 HG11 VAL 60 -11.853 7.527 1.002 469 HG12 VAL 60 HG12 VAL 60 -11.251 6.688 -0.428 470 HG13 VAL 60 HG13 VAL 60 -12.970 6.641 -0.036 471 HG21 VAL 60 HG21 VAL 60 -9.662 5.379 0.729 472 HG22 VAL 60 HG22 VAL 60 -10.037 6.041 2.320 473 HG23 VAL 60 HG23 VAL 60 -10.117 4.300 2.048 474 H SER 61 HN SER 61 -14.543 4.561 3.895 475 HA SER 61 HA SER 61 -13.536 2.052 4.683 476 HB2 SER 61 HB2 SER 61 -15.793 3.618 5.260 477 HB3 SER 61 HB3 SER 61 -16.432 2.103 4.623 478 HG SER 61 HG SER 61 -16.142 1.708 6.743 479 H GLU 62 HN GLU 62 -15.383 3.086 1.904 480 HA GLU 62 HA GLU 62 -16.333 0.630 1.001 481 HB2 GLU 62 HB2 GLU 62 -15.668 3.231 -0.276 482 HB3 GLU 62 HB3 GLU 62 -15.848 1.843 -1.339 483 HG2 GLU 62 HG2 GLU 62 -18.060 1.544 0.127 484 HG3 GLU 62 HG3 GLU 62 -17.867 3.292 0.251 485 H VAL 63 HN VAL 63 -13.146 2.062 0.824 486 HA VAL 63 HA VAL 63 -12.008 0.324 -1.087 487 HB VAL 63 HB VAL 63 -10.664 1.757 1.214 488 HG11 VAL 63 HG11 VAL 63 -8.874 1.448 -0.909 489 HG12 VAL 63 HG12 VAL 63 -8.831 0.636 0.654 490 HG13 VAL 63 HG13 VAL 63 -9.648 -0.123 -0.712 491 HG21 VAL 63 HG21 VAL 63 -11.963 3.045 -0.652 492 HG22 VAL 63 HG22 VAL 63 -10.372 3.596 -0.133 493 HG23 VAL 63 HG23 VAL 63 -10.542 2.670 -1.629 494 H THR 64 HN THR 64 -12.298 0.186 2.419 495 HA THR 64 HA THR 64 -10.765 -2.091 2.907 496 HB THR 64 HB THR 64 -13.177 -0.969 4.335 497 HG1 THR 64 HG1 THR 64 -10.367 -0.856 4.721 498 HG21 THR 64 HG21 THR 64 -11.960 -3.561 4.678 499 HG22 THR 64 HG22 THR 64 -11.711 -2.574 6.118 500 HG23 THR 64 HG23 THR 64 -13.344 -2.859 5.516 501 H GLU 65 HN GLU 65 -14.159 -1.722 2.018 502 HA GLU 65 HA GLU 65 -14.806 -4.486 2.199 503 HB2 GLU 65 HB2 GLU 65 -16.367 -2.411 2.171 504 HB3 GLU 65 HB3 GLU 65 -16.272 -2.563 0.422 505 HG2 GLU 65 HG2 GLU 65 -17.601 -4.364 0.376 506 HG3 GLU 65 HG3 GLU 65 -16.893 -5.054 1.836 507 H LYS 66 HN LYS 66 -13.549 -2.463 -0.389 508 HA LYS 66 HA LYS 66 -14.083 -4.144 -2.564 509 HB2 LYS 66 HB2 LYS 66 -11.782 -2.237 -2.121 510 HB3 LYS 66 HB3 LYS 66 -12.147 -3.003 -3.659 511 HG2 LYS 66 HG2 LYS 66 -13.847 -1.034 -2.160 512 HG3 LYS 66 HG3 LYS 66 -13.008 -0.781 -3.687 513 HD2 LYS 66 HD2 LYS 66 -14.429 -2.533 -4.707 514 HD3 LYS 66 HD3 LYS 66 -15.312 -2.662 -3.184 515 HE2 LYS 66 HE2 LYS 66 -16.415 -0.712 -3.503 516 HE3 LYS 66 HE3 LYS 66 -15.044 0.055 -4.304 517 HZ1 LYS 66 HZ1 LYS 66 -16.729 -2.026 -5.583 518 HZ2 LYS 66 HZ2 LYS 66 -15.568 -1.044 -6.324 519 HZ3 LYS 66 HZ3 LYS 66 -17.009 -0.366 -5.754 520 H GLU 67 HN GLU 67 -11.369 -4.105 -0.301 521 HA GLU 67 HA GLU 67 -10.394 -6.588 -1.532 522 HB2 GLU 67 HB2 GLU 67 -8.784 -4.725 0.213 523 HB3 GLU 67 HB3 GLU 67 -8.193 -6.060 -0.763 524 HG2 GLU 67 HG2 GLU 67 -9.518 -3.627 -1.921 525 HG3 GLU 67 HG3 GLU 67 -7.778 -3.767 -1.681 526 H ASN 68 HN ASN 68 -12.366 -5.779 0.791 527 HA ASN 68 HA ASN 68 -13.007 -6.580 2.793 528 HB2 ASN 68 HB2 ASN 68 -13.081 -8.896 2.944 529 HB3 ASN 68 HB3 ASN 68 -13.037 -8.588 1.225 530 HD21 ASN 68 HD21 ASN 68 -11.323 -9.276 0.030 531 HD22 ASN 68 HD22 ASN 68 -10.064 -10.279 0.657 532 H ILE 69 HN ILE 69 -10.848 -5.005 3.084 533 HA ILE 69 HA ILE 69 -8.576 -5.976 4.327 534 HB ILE 69 HB ILE 69 -10.066 -3.412 4.903 535 HG12 ILE 69 HG12 ILE 69 -9.425 -3.449 2.603 536 HG13 ILE 69 HG13 ILE 69 -8.251 -2.439 3.438 537 HG21 ILE 69 HG21 ILE 69 -7.806 -4.554 6.210 538 HG22 ILE 69 HG22 ILE 69 -7.323 -3.082 5.365 539 HG23 ILE 69 HG23 ILE 69 -8.639 -3.034 6.539 540 HD11 ILE 69 HD11 ILE 69 -6.752 -3.655 2.329 541 HD12 ILE 69 HD12 ILE 69 -7.060 -4.871 3.569 542 HD13 ILE 69 HD13 ILE 69 -7.895 -4.962 2.019 543 H THR 70 HN THR 70 -8.566 -7.443 5.919 544 HA THR 70 HA THR 70 -10.473 -7.114 8.131 545 HB THR 70 HB THR 70 -9.668 -9.571 8.573 546 HG1 THR 70 HG1 THR 70 -9.179 -10.609 6.566 547 HG21 THR 70 HG21 THR 70 -11.935 -9.248 8.136 548 HG22 THR 70 HG22 THR 70 -11.625 -8.593 6.528 549 HG23 THR 70 HG23 THR 70 -11.424 -10.319 6.831 550 H SER 71 HN SER 71 -7.040 -7.718 7.436 551 HA SER 71 HA SER 71 -6.478 -7.242 10.295 552 HB2 SER 71 HB2 SER 71 -5.815 -9.464 8.855 553 HB3 SER 71 HB3 SER 71 -4.347 -8.498 8.701 554 HG SER 71 HG SER 71 -4.795 -9.988 10.660 555 H MET 72 HN MET 72 -5.553 -5.359 10.739 556 HA MET 72 HA MET 72 -3.865 -4.078 8.686 557 HB2 MET 72 HB2 MET 72 -5.956 -3.010 10.490 558 HB3 MET 72 HB3 MET 72 -4.522 -2.015 10.305 559 HG2 MET 72 HG2 MET 72 -4.992 -2.504 7.734 560 HG3 MET 72 HG3 MET 72 -6.635 -2.675 8.345 561 HE1 MET 72 HE1 MET 72 -6.590 0.431 10.648 562 HE2 MET 72 HE2 MET 72 -7.190 -1.205 10.373 563 HE3 MET 72 HE3 MET 72 -7.932 0.159 9.537 564 HA PRO 73 HA PRO 73 -2.630 -2.082 8.712 565 HB2 PRO 73 HB2 PRO 73 0.009 -1.884 8.181 566 HB3 PRO 73 HB3 PRO 73 -0.749 -0.922 9.459 567 HG2 PRO 73 HG2 PRO 73 0.781 -3.490 9.683 568 HG3 PRO 73 HG3 PRO 73 0.938 -2.013 10.654 569 HD2 PRO 73 HD2 PRO 73 -0.457 -4.160 11.513 570 HD3 PRO 73 HD3 PRO 73 -0.937 -2.499 11.917 571 H THR 74 HN THR 74 -2.785 -2.727 6.598 572 HA THR 74 HA THR 74 -1.570 -5.321 5.916 573 HB THR 74 HB THR 74 -3.775 -4.633 4.180 574 HG1 THR 74 HG1 THR 74 -5.218 -5.212 6.199 575 HG21 THR 74 HG21 THR 74 -3.302 -6.916 6.100 576 HG22 THR 74 HG22 THR 74 -4.544 -6.872 4.849 577 HG23 THR 74 HG23 THR 74 -2.839 -6.871 4.399 578 H PHE 75 HN PHE 75 -0.218 -5.388 4.291 579 HA PHE 75 HA PHE 75 -0.148 -3.163 2.345 580 HB2 PHE 75 HB2 PHE 75 2.100 -4.907 3.354 581 HB3 PHE 75 HB3 PHE 75 2.240 -3.915 1.923 582 HD1 PHE 75 HD2 PHE 75 0.240 -2.175 4.217 583 HD2 PHE 75 HD1 PHE 75 4.287 -3.248 3.438 584 HE1 PHE 75 HE2 PHE 75 1.007 -0.283 5.595 585 HE2 PHE 75 HE1 PHE 75 5.055 -1.366 4.824 586 HZ PHE 75 HZ PHE 75 3.423 0.116 5.901 587 H LYS 76 HN LYS 76 -0.942 -3.785 0.442 588 HA LYS 76 HA LYS 76 -0.461 -6.564 -0.400 589 HB2 LYS 76 HB2 LYS 76 -2.963 -5.088 -0.123 590 HB3 LYS 76 HB3 LYS 76 -2.757 -5.755 -1.732 591 HG2 LYS 76 HG2 LYS 76 -2.092 -7.882 -0.137 592 HG3 LYS 76 HG3 LYS 76 -3.366 -7.087 0.787 593 HD2 LYS 76 HD2 LYS 76 -3.638 -7.714 -2.141 594 HD3 LYS 76 HD3 LYS 76 -4.101 -8.856 -0.881 595 HE2 LYS 76 HE2 LYS 76 -5.816 -7.487 -0.098 596 HE3 LYS 76 HE3 LYS 76 -5.148 -6.050 -0.871 597 HZ1 LYS 76 HZ1 LYS 76 -6.632 -8.284 -2.105 598 HZ2 LYS 76 HZ2 LYS 76 -5.633 -7.287 -3.037 599 HZ3 LYS 76 HZ3 LYS 76 -6.943 -6.624 -2.200 600 H VAL 77 HN VAL 77 0.240 -6.877 -2.454 601 HA VAL 77 HA VAL 77 0.805 -4.465 -4.012 602 HB VAL 77 HB VAL 77 1.941 -7.258 -4.241 603 HG11 VAL 77 HG11 VAL 77 3.409 -6.403 -5.943 604 HG12 VAL 77 HG12 VAL 77 1.744 -6.072 -6.424 605 HG13 VAL 77 HG13 VAL 77 2.746 -4.778 -5.759 606 HG21 VAL 77 HG21 VAL 77 2.581 -5.517 -2.356 607 HG22 VAL 77 HG22 VAL 77 3.802 -6.520 -3.140 608 HG23 VAL 77 HG23 VAL 77 3.571 -4.848 -3.654 609 H TYR 78 HN TYR 78 -0.140 -4.133 -5.933 610 HA TYR 78 HA TYR 78 -2.048 -6.176 -6.805 611 HB2 TYR 78 HB2 TYR 78 -2.113 -3.184 -7.077 612 HB3 TYR 78 HB3 TYR 78 -3.299 -4.252 -7.795 613 HD1 TYR 78 HD2 TYR 78 -2.808 -6.028 -5.041 614 HD2 TYR 78 HD1 TYR 78 -4.184 -2.149 -6.031 615 HE1 TYR 78 HE2 TYR 78 -4.126 -5.983 -2.973 616 HE2 TYR 78 HE1 TYR 78 -5.502 -2.071 -3.958 617 HH TYR 78 HH TYR 78 -6.130 -4.808 -2.091 618 H LYS 79 HN LYS 79 -1.809 -7.100 -8.697 619 HA LYS 79 HA LYS 79 -0.086 -5.805 -10.703 620 HB2 LYS 79 HB2 LYS 79 0.330 -8.233 -9.466 621 HB3 LYS 79 HB3 LYS 79 -0.448 -8.699 -10.970 622 HG2 LYS 79 HG2 LYS 79 1.348 -6.951 -11.912 623 HG3 LYS 79 HG3 LYS 79 2.207 -7.534 -10.488 624 HD2 LYS 79 HD2 LYS 79 2.249 -9.733 -11.262 625 HD3 LYS 79 HD3 LYS 79 0.935 -9.453 -12.406 626 HE2 LYS 79 HE2 LYS 79 2.315 -8.641 -13.994 627 HE3 LYS 79 HE3 LYS 79 3.342 -7.814 -12.823 628 HZ1 LYS 79 HZ1 LYS 79 3.583 -10.479 -13.940 629 HZ2 LYS 79 HZ2 LYS 79 3.907 -10.362 -12.284 630 HZ3 LYS 79 HZ3 LYS 79 4.783 -9.424 -13.385 631 H ASN 80 HN ASN 80 -0.953 -5.349 -12.557 632 HA ASN 80 HA ASN 80 -2.458 -5.118 -14.239 633 HB2 ASN 80 HB2 ASN 80 -3.694 -7.773 -13.823 634 HB3 ASN 80 HB3 ASN 80 -3.068 -7.044 -15.295 635 HD21 ASN 80 HD21 ASN 80 -0.800 -7.122 -15.675 636 HD22 ASN 80 HD22 ASN 80 0.169 -8.356 -14.953 637 H GLY 81 HN GLY 81 -3.195 -4.269 -11.626 638 HA2 GLY 81 HA2 GLY 81 -5.041 -3.252 -10.716 639 HA3 GLY 81 HA3 GLY 81 -5.981 -3.848 -12.068 640 H SER 82 HN SER 82 -4.190 -5.876 -9.744 641 HA SER 82 HA SER 82 -6.561 -6.440 -8.254 642 HB2 SER 82 HB2 SER 82 -6.123 -9.011 -8.978 643 HB3 SER 82 HB3 SER 82 -7.311 -7.967 -9.755 644 HG SER 82 HG SER 82 -5.081 -9.070 -10.787 645 H SER 83 HN SER 83 -6.078 -8.684 -6.976 646 HA SER 83 HA SER 83 -3.905 -8.032 -5.286 647 HB2 SER 83 HB2 SER 83 -4.658 -10.609 -4.605 648 HB3 SER 83 HB3 SER 83 -5.258 -9.113 -3.896 649 HG SER 83 HG SER 83 -6.994 -9.163 -5.262 650 H VAL 84 HN VAL 84 -2.069 -9.197 -4.758 651 HA VAL 84 HA VAL 84 -1.239 -11.384 -6.449 652 HB VAL 84 HB VAL 84 -0.624 -9.057 -7.494 653 HG11 VAL 84 HG11 VAL 84 1.938 -9.391 -6.045 654 HG12 VAL 84 HG12 VAL 84 1.230 -7.959 -6.795 655 HG13 VAL 84 HG13 VAL 84 0.628 -8.530 -5.243 656 HG21 VAL 84 HG21 VAL 84 1.650 -10.968 -7.453 657 HG22 VAL 84 HG22 VAL 84 0.082 -11.527 -8.032 658 HG23 VAL 84 HG23 VAL 84 0.875 -10.161 -8.816 659 H ASP 85 HN ASP 85 -0.460 -9.219 -3.731 660 HA ASP 85 HA ASP 85 0.593 -11.487 -2.273 661 HB2 ASP 85 HB2 ASP 85 2.445 -10.089 -3.629 662 HB3 ASP 85 HB3 ASP 85 2.364 -9.108 -2.170 663 H THR 86 HN THR 86 0.582 -11.188 -0.008 664 HA THR 86 HA THR 86 -0.581 -8.654 0.927 665 HB THR 86 HB THR 86 -1.921 -9.956 2.550 666 HG1 THR 86 HG1 THR 86 -1.098 -12.184 0.977 667 HG21 THR 86 HG21 THR 86 -3.386 -9.406 0.927 668 HG22 THR 86 HG22 THR 86 -2.320 -9.972 -0.359 669 HG23 THR 86 HG23 THR 86 -3.311 -11.125 0.536 670 H LEU 87 HN LEU 87 0.350 -7.797 2.709 671 HA LEU 87 HA LEU 87 2.219 -9.494 4.223 672 HB2 LEU 87 HB2 LEU 87 3.834 -8.168 3.445 673 HB3 LEU 87 HB3 LEU 87 2.675 -7.058 2.749 674 HG LEU 87 HG LEU 87 2.517 -5.898 4.932 675 HD11 LEU 87 HD11 LEU 87 4.730 -6.554 6.319 676 HD12 LEU 87 HD12 LEU 87 3.108 -7.138 6.687 677 HD13 LEU 87 HD13 LEU 87 4.212 -8.140 5.745 678 HD21 LEU 87 HD21 LEU 87 4.571 -4.726 4.720 679 HD22 LEU 87 HD22 LEU 87 5.357 -6.117 3.974 680 HD23 LEU 87 HD23 LEU 87 4.096 -5.246 3.102 681 H LEU 88 HN LEU 88 1.775 -9.658 6.316 682 HA LEU 88 HA LEU 88 -0.263 -7.928 7.478 683 HB2 LEU 88 HB2 LEU 88 0.625 -10.651 7.875 684 HB3 LEU 88 HB3 LEU 88 0.576 -9.789 9.401 685 HG LEU 88 HG LEU 88 -1.738 -9.986 7.475 686 HD11 LEU 88 HD11 LEU 88 -2.391 -11.308 9.819 687 HD12 LEU 88 HD12 LEU 88 -2.005 -12.048 8.266 688 HD13 LEU 88 HD13 LEU 88 -0.741 -11.829 9.477 689 HD21 LEU 88 HD21 LEU 88 -2.770 -9.357 9.899 690 HD22 LEU 88 HD22 LEU 88 -1.237 -8.488 9.952 691 HD23 LEU 88 HD23 LEU 88 -2.381 -8.178 8.646 692 H GLY 89 HN GLY 89 0.054 -6.523 9.141 693 HA2 GLY 89 HA2 GLY 89 1.194 -5.184 10.632 694 HA3 GLY 89 HA3 GLY 89 2.360 -6.494 10.800 695 H ALA 90 HN ALA 90 2.569 -3.429 10.357 696 HA ALA 90 HA ALA 90 3.993 -3.411 7.820 697 HB1 ALA 90 HB1 ALA 90 2.529 -1.517 9.224 698 HB2 ALA 90 HB2 ALA 90 4.200 -0.961 9.309 699 HB3 ALA 90 HB3 ALA 90 3.452 -1.270 7.741 700 H ASN 91 HN ASN 91 5.933 -4.225 7.852 701 HA ASN 91 HA ASN 91 7.820 -3.339 9.925 702 HB2 ASN 91 HB2 ASN 91 7.696 -6.031 8.548 703 HB3 ASN 91 HB3 ASN 91 9.015 -5.509 9.587 704 HD21 ASN 91 HD21 ASN 91 7.807 -4.325 11.652 705 HD22 ASN 91 HD22 ASN 91 6.777 -5.456 12.499 706 H ASP 92 HN ASP 92 9.764 -2.507 9.144 707 HA ASP 92 HA ASP 92 9.792 -1.660 6.440 708 HB2 ASP 92 HB2 ASP 92 12.203 -1.039 6.961 709 HB3 ASP 92 HB3 ASP 92 10.985 -0.336 8.021 710 H SER 93 HN SER 93 11.443 -4.231 8.203 711 HA SER 93 HA SER 93 13.012 -5.196 6.053 712 HB2 SER 93 HB2 SER 93 12.236 -6.899 8.389 713 HB3 SER 93 HB3 SER 93 13.771 -6.806 7.531 714 HG SER 93 HG SER 93 14.277 -4.977 8.591 715 H ALA 94 HN ALA 94 9.830 -6.132 7.289 716 HA ALA 94 HA ALA 94 9.686 -8.535 5.744 717 HB1 ALA 94 HB1 ALA 94 7.519 -8.802 6.560 718 HB2 ALA 94 HB2 ALA 94 8.342 -7.932 7.854 719 HB3 ALA 94 HB3 ALA 94 7.273 -7.067 6.747 720 H LEU 95 HN LEU 95 8.676 -5.243 5.297 721 HA LEU 95 HA LEU 95 7.299 -5.777 2.848 722 HB2 LEU 95 HB2 LEU 95 6.521 -3.852 3.841 723 HB3 LEU 95 HB3 LEU 95 8.118 -3.366 4.384 724 HG LEU 95 HG LEU 95 8.442 -3.207 1.705 725 HD11 LEU 95 HD11 LEU 95 6.532 -2.364 0.639 726 HD12 LEU 95 HD12 LEU 95 6.072 -3.868 1.439 727 HD13 LEU 95 HD13 LEU 95 5.625 -2.312 2.154 728 HD21 LEU 95 HD21 LEU 95 8.787 -1.031 2.091 729 HD22 LEU 95 HD22 LEU 95 7.231 -0.820 2.913 730 HD23 LEU 95 HD23 LEU 95 8.598 -1.529 3.784 731 H LYS 96 HN LYS 96 10.537 -4.965 3.867 732 HA LYS 96 HA LYS 96 11.611 -3.996 1.526 733 HB2 LYS 96 HB2 LYS 96 12.846 -3.988 3.612 734 HB3 LYS 96 HB3 LYS 96 12.825 -5.743 3.679 735 HG2 LYS 96 HG2 LYS 96 14.993 -4.743 2.991 736 HG3 LYS 96 HG3 LYS 96 14.325 -5.912 1.850 737 HD2 LYS 96 HD2 LYS 96 13.317 -3.875 0.659 738 HD3 LYS 96 HD3 LYS 96 14.446 -2.923 1.623 739 HE2 LYS 96 HE2 LYS 96 15.621 -5.252 0.316 740 HE3 LYS 96 HE3 LYS 96 14.993 -4.038 -0.792 741 HZ1 LYS 96 HZ1 LYS 96 17.400 -3.817 -0.022 742 HZ2 LYS 96 HZ2 LYS 96 16.759 -3.285 1.450 743 HZ3 LYS 96 HZ3 LYS 96 16.434 -2.428 0.028 744 H GLN 97 HN GLN 97 11.322 -7.332 2.688 745 HA GLN 97 HA GLN 97 12.320 -8.454 0.264 746 HB2 GLN 97 HB2 GLN 97 11.734 -10.609 1.186 747 HB3 GLN 97 HB3 GLN 97 12.521 -9.632 2.413 748 HG2 GLN 97 HG2 GLN 97 10.291 -9.117 3.362 749 HG3 GLN 97 HG3 GLN 97 9.578 -10.218 2.183 750 HE21 GLN 97 HE21 GLN 97 10.992 -9.910 5.224 751 HE22 GLN 97 HE22 GLN 97 11.152 -11.589 5.597 752 H LEU 98 HN LEU 98 9.043 -7.702 1.476 753 HA LEU 98 HA LEU 98 7.691 -9.196 -0.538 754 HB2 LEU 98 HB2 LEU 98 6.356 -8.696 1.279 755 HB3 LEU 98 HB3 LEU 98 6.916 -7.037 1.368 756 HG LEU 98 HG LEU 98 5.528 -6.357 -0.426 757 HD11 LEU 98 HD11 LEU 98 5.343 -7.742 -2.160 758 HD12 LEU 98 HD12 LEU 98 5.660 -9.164 -1.165 759 HD13 LEU 98 HD13 LEU 98 4.027 -8.507 -1.271 760 HD21 LEU 98 HD21 LEU 98 4.087 -8.275 1.382 761 HD22 LEU 98 HD22 LEU 98 4.294 -6.536 1.595 762 HD23 LEU 98 HD23 LEU 98 3.271 -7.149 0.294 763 H ILE 99 HN ILE 99 8.465 -5.764 -0.243 764 HA ILE 99 HA ILE 99 7.384 -5.018 -2.739 765 HB ILE 99 HB ILE 99 8.020 -3.692 -0.503 766 HG12 ILE 99 HG12 ILE 99 6.518 -2.865 -2.164 767 HG13 ILE 99 HG13 ILE 99 7.700 -1.609 -1.812 768 HG21 ILE 99 HG21 ILE 99 10.328 -3.146 -2.341 769 HG22 ILE 99 HG22 ILE 99 9.823 -2.065 -1.039 770 HG23 ILE 99 HG23 ILE 99 10.377 -3.696 -0.664 771 HD11 ILE 99 HD11 ILE 99 7.755 -3.471 -4.159 772 HD12 ILE 99 HD12 ILE 99 7.252 -1.781 -4.195 773 HD13 ILE 99 HD13 ILE 99 8.928 -2.197 -3.826 774 H GLU 100 HN GLU 100 10.506 -6.091 -1.676 775 HA GLU 100 HA GLU 100 11.997 -5.403 -3.965 776 HB2 GLU 100 HB2 GLU 100 12.346 -7.130 -1.604 777 HB3 GLU 100 HB3 GLU 100 13.305 -7.564 -3.012 778 HG2 GLU 100 HG2 GLU 100 13.781 -4.951 -2.989 779 HG3 GLU 100 HG3 GLU 100 13.465 -5.177 -1.276 780 H LYS 101 HN LYS 101 9.938 -8.109 -3.198 781 HA LYS 101 HA LYS 101 10.837 -9.973 -5.049 782 HB2 LYS 101 HB2 LYS 101 8.603 -9.602 -3.305 783 HB3 LYS 101 HB3 LYS 101 8.037 -10.235 -4.840 784 HG2 LYS 101 HG2 LYS 101 9.646 -12.088 -4.651 785 HG3 LYS 101 HG3 LYS 101 10.152 -11.464 -3.079 786 HD2 LYS 101 HD2 LYS 101 7.393 -11.614 -2.880 787 HD3 LYS 101 HD3 LYS 101 7.829 -13.061 -3.789 788 HE2 LYS 101 HE2 LYS 101 9.495 -13.603 -2.037 789 HE3 LYS 101 HE3 LYS 101 8.934 -12.208 -1.116 790 HZ1 LYS 101 HZ1 LYS 101 6.637 -13.486 -1.554 791 HZ2 LYS 101 HZ2 LYS 101 7.593 -13.728 -0.180 792 HZ3 LYS 101 HZ3 LYS 101 7.696 -14.804 -1.482 793 H TYR 102 HN TYR 102 8.292 -7.538 -5.423 794 HA TYR 102 HA TYR 102 8.086 -8.241 -8.255 795 HB2 TYR 102 HB2 TYR 102 6.356 -6.271 -6.774 796 HB3 TYR 102 HB3 TYR 102 6.004 -7.125 -8.276 797 HD1 TYR 102 HD2 TYR 102 6.438 -7.535 -4.645 798 HD2 TYR 102 HD1 TYR 102 5.024 -9.270 -8.256 799 HE1 TYR 102 HE2 TYR 102 5.369 -9.332 -3.358 800 HE2 TYR 102 HE1 TYR 102 3.954 -11.073 -6.985 801 HH TYR 102 HH TYR 102 3.161 -11.560 -4.780 802 H ALA 103 HN ALA 103 8.951 -5.700 -6.053 803 HA ALA 103 HA ALA 103 9.488 -3.868 -8.286 804 HB1 ALA 103 HB1 ALA 103 10.014 -2.918 -5.576 805 HB2 ALA 103 HB2 ALA 103 9.059 -2.203 -6.878 806 HB3 ALA 103 HB3 ALA 103 8.360 -3.464 -5.865 807 H ALA 104 HN ALA 104 11.158 -5.668 -5.807 808 HA ALA 104 HA ALA 104 13.384 -6.133 -5.494 809 HB1 ALA 104 HB1 ALA 104 14.629 -5.159 -7.811 810 HB2 ALA 104 HB2 ALA 104 14.204 -6.826 -7.423 811 HB3 ALA 104 HB3 ALA 104 13.063 -5.807 -8.300 Start of MODEL 2 1 HA SER 1 HA SER 1 6.921 10.604 -1.304 2 HB2 SER 1 HB2 SER 1 6.849 11.653 -4.037 3 HB3 SER 1 HB3 SER 1 5.301 11.804 -3.203 4 HG SER 1 HG SER 1 6.253 13.534 -2.433 5 H VAL 2 HN VAL 2 5.664 9.043 -0.394 6 HA VAL 2 HA VAL 2 3.977 7.279 -1.790 7 HB VAL 2 HB VAL 2 3.594 8.193 1.070 8 HG11 VAL 2 HG11 VAL 2 1.731 6.921 0.463 9 HG12 VAL 2 HG12 VAL 2 2.685 5.838 -0.550 10 HG13 VAL 2 HG13 VAL 2 2.812 5.742 1.206 11 HG21 VAL 2 HG21 VAL 2 4.933 5.874 1.289 12 HG22 VAL 2 HG22 VAL 2 5.664 6.505 -0.186 13 HG23 VAL 2 HG23 VAL 2 5.717 7.454 1.300 14 H LYS 3 HN LYS 3 1.909 7.431 -2.487 15 HA LYS 3 HA LYS 3 0.699 10.095 -2.415 16 HB2 LYS 3 HB2 LYS 3 0.977 8.134 -4.410 17 HB3 LYS 3 HB3 LYS 3 -0.742 8.212 -4.042 18 HG2 LYS 3 HG2 LYS 3 -0.297 10.788 -4.179 19 HG3 LYS 3 HG3 LYS 3 1.054 10.271 -5.173 20 HD2 LYS 3 HD2 LYS 3 -0.424 9.141 -6.699 21 HD3 LYS 3 HD3 LYS 3 -1.808 9.443 -5.644 22 HE2 LYS 3 HE2 LYS 3 -1.938 11.034 -7.390 23 HE3 LYS 3 HE3 LYS 3 -1.368 11.902 -5.964 24 HZ1 LYS 3 HZ1 LYS 3 0.925 11.085 -7.162 25 HZ2 LYS 3 HZ2 LYS 3 0.248 12.629 -7.291 26 HZ3 LYS 3 HZ3 LYS 3 -0.062 11.469 -8.482 27 H ILE 4 HN ILE 4 -1.260 10.535 -1.611 28 HA ILE 4 HA ILE 4 -2.632 8.360 -0.165 29 HB ILE 4 HB ILE 4 -2.781 11.313 0.458 30 HG12 ILE 4 HG12 ILE 4 -1.158 9.132 1.791 31 HG13 ILE 4 HG13 ILE 4 -0.517 10.493 0.876 32 HG21 ILE 4 HG21 ILE 4 -4.741 10.189 1.204 33 HG22 ILE 4 HG22 ILE 4 -3.798 8.854 1.866 34 HG23 ILE 4 HG23 ILE 4 -3.719 10.447 2.619 35 HD11 ILE 4 HD11 ILE 4 -1.145 10.331 3.641 36 HD12 ILE 4 HD12 ILE 4 -0.416 11.662 2.745 37 HD13 ILE 4 HD13 ILE 4 -2.170 11.557 2.896 38 H VAL 5 HN VAL 5 -4.400 7.710 -1.226 39 HA VAL 5 HA VAL 5 -5.844 9.694 -2.849 40 HB VAL 5 HB VAL 5 -5.185 7.860 -4.175 41 HG11 VAL 5 HG11 VAL 5 -6.090 5.502 -3.416 42 HG12 VAL 5 HG12 VAL 5 -4.551 6.128 -2.825 43 HG13 VAL 5 HG13 VAL 5 -5.993 6.239 -1.817 44 HG21 VAL 5 HG21 VAL 5 -7.986 7.029 -3.525 45 HG22 VAL 5 HG22 VAL 5 -7.659 8.607 -4.244 46 HG23 VAL 5 HG23 VAL 5 -7.184 7.135 -5.091 47 H THR 6 HN THR 6 -7.657 10.522 -2.086 48 HA THR 6 HA THR 6 -8.960 9.260 0.198 49 HB THR 6 HB THR 6 -8.381 11.582 0.486 50 HG1 THR 6 HG1 THR 6 -10.367 12.236 1.230 51 HG21 THR 6 HG21 THR 6 -9.730 13.270 -0.922 52 HG22 THR 6 HG22 THR 6 -8.313 12.517 -1.655 53 HG23 THR 6 HG23 THR 6 -9.929 11.938 -2.061 54 H SER 7 HN SER 7 -9.393 8.714 -2.909 55 HA SER 7 HA SER 7 -12.335 8.770 -2.681 56 HB2 SER 7 HB2 SER 7 -11.114 10.170 -4.546 57 HB3 SER 7 HB3 SER 7 -10.995 8.607 -5.353 58 HG SER 7 HG SER 7 -13.343 9.954 -4.521 59 H GLN 8 HN GLN 8 -13.495 6.976 -3.522 60 HA GLN 8 HA GLN 8 -12.221 4.484 -3.023 61 HB2 GLN 8 HB2 GLN 8 -14.427 4.421 -2.400 62 HB3 GLN 8 HB3 GLN 8 -14.953 5.422 -3.742 63 HG2 GLN 8 HG2 GLN 8 -15.734 3.060 -3.756 64 HG3 GLN 8 HG3 GLN 8 -14.958 3.615 -5.231 65 HE21 GLN 8 HE21 GLN 8 -13.040 2.908 -2.431 66 HE22 GLN 8 HE22 GLN 8 -12.338 1.462 -3.037 67 H SER 9 HN SER 9 -13.576 5.936 -5.967 68 HA SER 9 HA SER 9 -12.774 3.811 -7.672 69 HB2 SER 9 HB2 SER 9 -13.218 5.512 -9.507 70 HB3 SER 9 HB3 SER 9 -14.572 5.204 -8.419 71 HG SER 9 HG SER 9 -14.493 7.206 -7.792 72 H GLU 10 HN GLU 10 -11.308 6.855 -6.678 73 HA GLU 10 HA GLU 10 -9.184 6.866 -8.527 74 HB2 GLU 10 HB2 GLU 10 -9.867 8.787 -7.055 75 HB3 GLU 10 HB3 GLU 10 -9.121 7.946 -5.705 76 HG2 GLU 10 HG2 GLU 10 -7.461 9.397 -6.345 77 HG3 GLU 10 HG3 GLU 10 -7.012 7.928 -7.210 78 H PHE 11 HN PHE 11 -9.653 5.310 -5.415 79 HA PHE 11 HA PHE 11 -7.003 4.364 -5.046 80 HB2 PHE 11 HB2 PHE 11 -8.324 4.237 -3.110 81 HB3 PHE 11 HB3 PHE 11 -9.721 3.651 -3.988 82 HD1 PHE 11 HD1 PHE 11 -6.250 2.555 -3.166 83 HD2 PHE 11 HD2 PHE 11 -10.330 1.495 -3.665 84 HE1 PHE 11 HE1 PHE 11 -5.742 0.263 -2.439 85 HE2 PHE 11 HE2 PHE 11 -9.838 -0.799 -2.950 86 HZ PHE 11 HZ PHE 11 -7.546 -1.415 -2.317 87 H ASP 12 HN ASP 12 -9.931 2.877 -6.324 88 HA ASP 12 HA ASP 12 -8.725 0.448 -7.148 89 HB2 ASP 12 HB2 ASP 12 -11.230 1.871 -8.025 90 HB3 ASP 12 HB3 ASP 12 -10.793 0.273 -8.597 91 H SER 13 HN SER 13 -9.100 3.580 -8.621 92 HA SER 13 HA SER 13 -8.570 2.877 -11.289 93 HB2 SER 13 HB2 SER 13 -9.542 5.057 -10.510 94 HB3 SER 13 HB3 SER 13 -7.935 5.515 -9.956 95 HG SER 13 HG SER 13 -8.838 5.987 -12.279 96 H ILE 14 HN ILE 14 -6.468 3.994 -8.670 97 HA ILE 14 HA ILE 14 -4.085 4.118 -10.147 98 HB ILE 14 HB ILE 14 -4.565 3.480 -7.234 99 HG12 ILE 14 HG12 ILE 14 -3.313 6.030 -7.959 100 HG13 ILE 14 HG13 ILE 14 -4.928 5.835 -8.635 101 HG21 ILE 14 HG21 ILE 14 -1.947 4.324 -8.471 102 HG22 ILE 14 HG22 ILE 14 -2.248 3.839 -6.802 103 HG23 ILE 14 HG23 ILE 14 -2.358 2.651 -8.099 104 HD11 ILE 14 HD11 ILE 14 -5.379 5.043 -6.113 105 HD12 ILE 14 HD12 ILE 14 -4.070 6.195 -5.851 106 HD13 ILE 14 HD13 ILE 14 -5.546 6.708 -6.667 107 H ILE 15 HN ILE 15 -5.714 1.498 -8.547 108 HA ILE 15 HA ILE 15 -3.692 -0.449 -8.656 109 HB ILE 15 HB ILE 15 -6.631 -1.097 -8.840 110 HG12 ILE 15 HG12 ILE 15 -6.335 0.621 -7.116 111 HG13 ILE 15 HG13 ILE 15 -6.678 -0.930 -6.413 112 HG21 ILE 15 HG21 ILE 15 -5.192 -2.634 -6.933 113 HG22 ILE 15 HG22 ILE 15 -5.927 -3.171 -8.452 114 HG23 ILE 15 HG23 ILE 15 -4.258 -2.605 -8.438 115 HD11 ILE 15 HD11 ILE 15 -4.992 -0.166 -5.080 116 HD12 ILE 15 HD12 ILE 15 -4.138 -1.180 -6.247 117 HD13 ILE 15 HD13 ILE 15 -4.137 0.578 -6.433 118 H SER 16 HN SER 16 -6.256 0.351 -10.967 119 HA SER 16 HA SER 16 -5.522 -1.784 -12.775 120 HB2 SER 16 HB2 SER 16 -7.797 -0.048 -12.377 121 HB3 SER 16 HB3 SER 16 -7.360 -0.144 -14.083 122 HG SER 16 HG SER 16 -8.426 -1.957 -13.991 123 H GLN 17 HN GLN 17 -4.811 1.615 -12.592 124 HA GLN 17 HA GLN 17 -4.153 1.843 -15.398 125 HB2 GLN 17 HB2 GLN 17 -4.240 3.693 -13.088 126 HB3 GLN 17 HB3 GLN 17 -3.167 4.120 -14.410 127 HG2 GLN 17 HG2 GLN 17 -4.868 4.883 -15.589 128 HG3 GLN 17 HG3 GLN 17 -5.668 3.316 -15.492 129 HE21 GLN 17 HE21 GLN 17 -7.691 3.633 -14.935 130 HE22 GLN 17 HE22 GLN 17 -8.247 4.664 -13.666 131 H ASN 18 HN ASN 18 -2.550 0.137 -13.349 132 HA ASN 18 HA ASN 18 0.020 0.732 -14.533 133 HB2 ASN 18 HB2 ASN 18 -0.343 0.667 -11.535 134 HB3 ASN 18 HB3 ASN 18 1.180 0.866 -12.384 135 HD21 ASN 18 HD21 ASN 18 -1.917 2.338 -11.696 136 HD22 ASN 18 HD22 ASN 18 -1.429 3.964 -12.013 137 H GLU 19 HN GLU 19 1.520 -0.995 -14.417 138 HA GLU 19 HA GLU 19 0.337 -3.580 -14.447 139 HB2 GLU 19 HB2 GLU 19 2.406 -2.708 -15.738 140 HB3 GLU 19 HB3 GLU 19 3.299 -3.093 -14.273 141 HG2 GLU 19 HG2 GLU 19 3.135 -5.324 -14.591 142 HG3 GLU 19 HG3 GLU 19 1.547 -5.212 -15.350 143 H LEU 20 HN LEU 20 2.539 -1.973 -12.135 144 HA LEU 20 HA LEU 20 1.692 -4.022 -10.206 145 HB2 LEU 20 HB2 LEU 20 4.190 -3.952 -11.172 146 HB3 LEU 20 HB3 LEU 20 4.354 -2.738 -9.924 147 HG LEU 20 HG LEU 20 4.177 -4.258 -8.212 148 HD11 LEU 20 HD11 LEU 20 2.537 -5.904 -10.099 149 HD12 LEU 20 HD12 LEU 20 3.274 -6.637 -8.676 150 HD13 LEU 20 HD13 LEU 20 2.131 -5.310 -8.488 151 HD21 LEU 20 HD21 LEU 20 5.147 -6.446 -9.832 152 HD22 LEU 20 HD22 LEU 20 5.880 -4.914 -10.304 153 HD23 LEU 20 HD23 LEU 20 5.992 -5.467 -8.636 154 H VAL 21 HN VAL 21 0.836 -3.195 -8.399 155 HA VAL 21 HA VAL 21 1.497 -0.407 -7.772 156 HB VAL 21 HB VAL 21 -1.353 -1.435 -7.725 157 HG11 VAL 21 HG11 VAL 21 -0.138 0.686 -6.360 158 HG12 VAL 21 HG12 VAL 21 -1.051 1.408 -7.683 159 HG13 VAL 21 HG13 VAL 21 -1.861 0.351 -6.530 160 HG21 VAL 21 HG21 VAL 21 -1.425 0.508 -9.532 161 HG22 VAL 21 HG22 VAL 21 0.234 -0.026 -9.791 162 HG23 VAL 21 HG23 VAL 21 -1.098 -1.169 -9.966 163 H ILE 22 HN ILE 22 2.081 -0.141 -5.746 164 HA ILE 22 HA ILE 22 1.137 -2.147 -3.796 165 HB ILE 22 HB ILE 22 3.487 -2.349 -3.885 166 HG12 ILE 22 HG12 ILE 22 3.774 -0.582 -1.625 167 HG13 ILE 22 HG13 ILE 22 2.216 -1.400 -1.559 168 HG21 ILE 22 HG21 ILE 22 3.449 0.600 -4.170 169 HG22 ILE 22 HG22 ILE 22 4.851 -0.137 -3.395 170 HG23 ILE 22 HG23 ILE 22 4.397 -0.613 -5.032 171 HD11 ILE 22 HD11 ILE 22 4.828 -2.833 -1.937 172 HD12 ILE 22 HD12 ILE 22 4.073 -2.556 -0.368 173 HD13 ILE 22 HD13 ILE 22 3.250 -3.535 -1.582 174 H VAL 23 HN VAL 23 -0.161 -1.448 -2.337 175 HA VAL 23 HA VAL 23 -0.214 1.396 -1.630 176 HB VAL 23 HB VAL 23 -2.061 1.020 -3.178 177 HG11 VAL 23 HG11 VAL 23 -2.442 -1.302 -3.043 178 HG12 VAL 23 HG12 VAL 23 -2.752 -1.229 -1.308 179 HG13 VAL 23 HG13 VAL 23 -3.913 -0.538 -2.442 180 HG21 VAL 23 HG21 VAL 23 -3.080 1.222 -0.344 181 HG22 VAL 23 HG22 VAL 23 -2.374 2.551 -1.264 182 HG23 VAL 23 HG23 VAL 23 -3.884 1.813 -1.799 183 H ASP 24 HN ASP 24 -0.515 1.809 0.470 184 HA ASP 24 HA ASP 24 -0.686 -0.557 2.194 185 HB2 ASP 24 HB2 ASP 24 1.231 0.290 3.007 186 HB3 ASP 24 HB3 ASP 24 0.958 1.858 2.286 187 H PHE 25 HN PHE 25 -2.583 -0.883 3.034 188 HA PHE 25 HA PHE 25 -4.426 1.325 3.509 189 HB2 PHE 25 HB2 PHE 25 -4.756 -1.625 4.165 190 HB3 PHE 25 HB3 PHE 25 -6.034 -0.418 4.031 191 HD1 PHE 25 HD2 PHE 25 -3.521 -2.335 2.095 192 HD2 PHE 25 HD1 PHE 25 -7.003 0.108 1.934 193 HE1 PHE 25 HE2 PHE 25 -3.771 -2.860 -0.299 194 HE2 PHE 25 HE1 PHE 25 -7.259 -0.409 -0.452 195 HZ PHE 25 HZ PHE 25 -5.638 -1.895 -1.603 196 H PHE 26 HN PHE 26 -4.041 2.469 5.320 197 HA PHE 26 HA PHE 26 -3.029 0.927 7.537 198 HB2 PHE 26 HB2 PHE 26 -1.411 2.818 8.074 199 HB3 PHE 26 HB3 PHE 26 -1.179 2.222 6.437 200 HD1 PHE 26 HD2 PHE 26 -2.739 3.491 4.649 201 HD2 PHE 26 HD1 PHE 26 -1.360 5.133 8.334 202 HE1 PHE 26 HE2 PHE 26 -3.102 5.755 3.761 203 HE2 PHE 26 HE1 PHE 26 -1.709 7.397 7.446 204 HZ PHE 26 HZ PHE 26 -2.568 7.718 5.165 205 H ALA 27 HN ALA 27 -3.138 3.167 9.894 206 HA ALA 27 HA ALA 27 -5.424 4.811 9.313 207 HB1 ALA 27 HB1 ALA 27 -6.534 2.761 10.079 208 HB2 ALA 27 HB2 ALA 27 -5.470 2.638 11.470 209 HB3 ALA 27 HB3 ALA 27 -6.666 3.953 11.377 210 H GLU 28 HN GLU 28 -5.234 6.710 10.311 211 HA GLU 28 HA GLU 28 -2.848 7.973 10.980 212 HB2 GLU 28 HB2 GLU 28 -5.139 8.818 10.534 213 HB3 GLU 28 HB3 GLU 28 -5.481 8.693 12.258 214 HG2 GLU 28 HG2 GLU 28 -3.088 9.933 12.274 215 HG3 GLU 28 HG3 GLU 28 -3.799 10.578 10.797 216 H TRP 29 HN TRP 29 -4.055 5.666 13.995 217 HA TRP 29 HA TRP 29 -3.015 7.938 16.148 218 HB2 TRP 29 HB2 TRP 29 -4.822 6.404 17.460 219 HB3 TRP 29 HB3 TRP 29 -5.438 7.591 16.346 220 HD1 TRP 29 HD1 TRP 29 -7.767 6.514 14.548 221 HE1 TRP 29 HE1 TRP 29 -8.451 4.104 14.172 222 HE3 TRP 29 HE3 TRP 29 -4.415 3.883 17.757 223 HZ2 TRP 29 HZ2 TRP 29 -7.891 1.546 15.044 224 HZ3 TRP 29 HZ3 TRP 29 -4.707 1.456 17.877 225 HH2 TRP 29 HH2 TRP 29 -6.433 0.318 16.584 226 H CYS 30 HN CYS 30 -1.767 4.823 14.277 227 HA CYS 30 HA CYS 30 -0.869 3.753 16.858 228 HB2 CYS 30 HB2 CYS 30 -0.026 2.033 14.877 229 HB3 CYS 30 HB3 CYS 30 -1.525 1.868 15.786 230 H GLY 31 HN GLY 31 1.346 3.251 17.152 231 HA2 GLY 31 HA2 GLY 31 3.144 5.225 16.187 232 HA3 GLY 31 HA3 GLY 31 3.575 3.812 17.137 233 HA PRO 32 HA PRO 32 5.085 1.488 13.637 234 HB2 PRO 32 HB2 PRO 32 3.218 -0.342 12.848 235 HB3 PRO 32 HB3 PRO 32 4.284 -0.546 14.238 236 HG2 PRO 32 HG2 PRO 32 1.448 0.456 14.146 237 HG3 PRO 32 HG3 PRO 32 2.150 -0.721 15.257 238 HD2 PRO 32 HD2 PRO 32 1.783 1.772 16.032 239 HD3 PRO 32 HD3 PRO 32 3.274 0.922 16.482 240 H CYS 33 HN CYS 33 1.610 2.029 13.036 241 HA CYS 33 HA CYS 33 1.646 1.962 10.290 242 HB2 CYS 33 HB2 CYS 33 0.044 3.936 11.932 243 HB3 CYS 33 HB3 CYS 33 -0.389 3.253 10.366 244 H LYS 34 HN LYS 34 2.167 4.855 12.313 245 HA LYS 34 HA LYS 34 2.871 6.542 10.132 246 HB2 LYS 34 HB2 LYS 34 2.249 6.936 12.778 247 HB3 LYS 34 HB3 LYS 34 3.971 7.289 12.744 248 HG2 LYS 34 HG2 LYS 34 3.236 8.706 10.617 249 HG3 LYS 34 HG3 LYS 34 1.709 8.735 11.501 250 HD2 LYS 34 HD2 LYS 34 4.392 9.572 12.603 251 HD3 LYS 34 HD3 LYS 34 3.124 10.667 12.048 252 HE2 LYS 34 HE2 LYS 34 2.784 8.659 14.269 253 HE3 LYS 34 HE3 LYS 34 3.199 10.354 14.521 254 HZ1 LYS 34 HZ1 LYS 34 0.668 9.174 13.620 255 HZ2 LYS 34 HZ2 LYS 34 1.072 10.727 13.085 256 HZ3 LYS 34 HZ3 LYS 34 0.940 10.412 14.742 257 H ARG 35 HN ARG 35 4.715 4.495 12.294 258 HA ARG 35 HA ARG 35 7.273 5.533 11.621 259 HB2 ARG 35 HB2 ARG 35 8.091 4.156 13.208 260 HB3 ARG 35 HB3 ARG 35 6.403 4.057 13.670 261 HG2 ARG 35 HG2 ARG 35 6.900 1.852 13.667 262 HG3 ARG 35 HG3 ARG 35 6.447 2.019 11.971 263 HD2 ARG 35 HD2 ARG 35 8.522 0.754 12.225 264 HD3 ARG 35 HD3 ARG 35 8.796 2.266 11.363 265 HE ARG 35 HE ARG 35 9.296 2.796 14.025 266 HH11 ARG 35 HH11 ARG 35 10.578 0.676 11.568 267 HH12 ARG 35 HH12 ARG 35 12.173 0.655 12.242 268 HH21 ARG 35 HH21 ARG 35 11.393 2.769 14.913 269 HH22 ARG 35 HH22 ARG 35 12.636 1.842 14.141 270 H ILE 36 HN ILE 36 5.277 3.125 10.144 271 HA ILE 36 HA ILE 36 7.437 1.904 8.727 272 HB ILE 36 HB ILE 36 5.483 0.574 9.347 273 HG12 ILE 36 HG12 ILE 36 5.246 -0.608 7.247 274 HG13 ILE 36 HG13 ILE 36 5.733 0.820 6.343 275 HG21 ILE 36 HG21 ILE 36 3.660 2.021 9.206 276 HG22 ILE 36 HG22 ILE 36 4.038 2.482 7.546 277 HG23 ILE 36 HG23 ILE 36 3.414 0.868 7.895 278 HD11 ILE 36 HD11 ILE 36 7.556 -0.473 8.330 279 HD12 ILE 36 HD12 ILE 36 7.435 -1.041 6.665 280 HD13 ILE 36 HD13 ILE 36 7.954 0.612 6.997 281 H ALA 37 HN ALA 37 5.436 4.648 8.308 282 HA ALA 37 HA ALA 37 5.237 4.778 5.508 283 HB1 ALA 37 HB1 ALA 37 4.231 6.751 5.868 284 HB2 ALA 37 HB2 ALA 37 4.309 6.283 7.567 285 HB3 ALA 37 HB3 ALA 37 5.539 7.349 6.889 286 HA PRO 38 HA PRO 38 9.315 7.607 5.886 287 HB2 PRO 38 HB2 PRO 38 10.548 5.967 8.049 288 HB3 PRO 38 HB3 PRO 38 10.685 7.700 7.734 289 HG2 PRO 38 HG2 PRO 38 9.147 6.796 9.710 290 HG3 PRO 38 HG3 PRO 38 8.641 8.176 8.718 291 HD2 PRO 38 HD2 PRO 38 7.684 5.357 8.665 292 HD3 PRO 38 HD3 PRO 38 6.790 6.855 8.367 293 H PHE 39 HN PHE 39 9.571 4.142 6.808 294 HA PHE 39 HA PHE 39 11.769 3.686 5.040 295 HB2 PHE 39 HB2 PHE 39 11.358 2.221 6.977 296 HB3 PHE 39 HB3 PHE 39 9.857 1.664 6.231 297 HD1 PHE 39 HD1 PHE 39 13.531 1.703 5.888 298 HD2 PHE 39 HD2 PHE 39 9.865 0.025 4.536 299 HE1 PHE 39 HE1 PHE 39 14.779 0.007 4.615 300 HE2 PHE 39 HE2 PHE 39 11.103 -1.675 3.271 301 HZ PHE 39 HZ PHE 39 13.557 -1.678 3.300 302 H TYR 40 HN TYR 40 8.309 3.443 4.864 303 HA TYR 40 HA TYR 40 8.035 2.075 2.423 304 HB2 TYR 40 HB2 TYR 40 6.277 2.893 4.236 305 HB3 TYR 40 HB3 TYR 40 6.168 4.304 3.166 306 HD1 TYR 40 HD1 TYR 40 6.764 0.918 1.823 307 HD2 TYR 40 HD2 TYR 40 3.854 3.906 2.668 308 HE1 TYR 40 HE1 TYR 40 5.134 -0.280 0.429 309 HE2 TYR 40 HE2 TYR 40 2.218 2.713 1.279 310 HH TYR 40 HH TYR 40 2.352 1.054 -0.710 311 H GLU 41 HN GLU 41 8.685 5.405 3.266 312 HA GLU 41 HA GLU 41 8.326 6.547 0.695 313 HB2 GLU 41 HB2 GLU 41 8.390 8.301 2.092 314 HB3 GLU 41 HB3 GLU 41 9.253 7.393 3.322 315 HG2 GLU 41 HG2 GLU 41 10.549 9.302 2.688 316 HG3 GLU 41 HG3 GLU 41 11.364 7.844 2.129 317 H GLU 42 HN GLU 42 11.251 5.353 2.390 318 HA GLU 42 HA GLU 42 13.054 6.076 0.360 319 HB2 GLU 42 HB2 GLU 42 14.664 4.671 1.420 320 HB3 GLU 42 HB3 GLU 42 13.696 5.406 2.687 321 HG2 GLU 42 HG2 GLU 42 12.742 3.427 3.298 322 HG3 GLU 42 HG3 GLU 42 12.923 2.712 1.698 323 H CYS 43 HN CYS 43 11.111 3.187 0.853 324 HA CYS 43 HA CYS 43 12.155 1.575 -1.184 325 HB2 CYS 43 HB2 CYS 43 9.474 1.741 0.187 326 HB3 CYS 43 HB3 CYS 43 9.848 0.477 -0.967 327 HG CYS 43 HG CYS 43 10.607 -1.057 0.947 328 H SER 44 HN SER 44 9.787 4.151 -1.192 329 HA SER 44 HA SER 44 8.730 3.692 -3.767 330 HB2 SER 44 HB2 SER 44 7.594 5.718 -3.487 331 HB3 SER 44 HB3 SER 44 7.808 5.128 -1.838 332 HG SER 44 HG SER 44 9.717 6.500 -1.789 333 H LYS 45 HN LYS 45 11.694 5.249 -2.778 334 HA LYS 45 HA LYS 45 11.921 6.595 -5.351 335 HB2 LYS 45 HB2 LYS 45 13.707 7.853 -4.471 336 HB3 LYS 45 HB3 LYS 45 12.502 7.745 -3.199 337 HG2 LYS 45 HG2 LYS 45 13.809 6.334 -1.906 338 HG3 LYS 45 HG3 LYS 45 14.794 5.830 -3.277 339 HD2 LYS 45 HD2 LYS 45 16.188 7.263 -2.064 340 HD3 LYS 45 HD3 LYS 45 15.580 8.256 -3.390 341 HE2 LYS 45 HE2 LYS 45 15.048 9.733 -1.797 342 HE3 LYS 45 HE3 LYS 45 13.694 8.661 -1.452 343 HZ1 LYS 45 HZ1 LYS 45 15.333 7.485 0.094 344 HZ2 LYS 45 HZ2 LYS 45 14.704 8.972 0.597 345 HZ3 LYS 45 HZ3 LYS 45 16.271 8.888 -0.033 346 H THR 46 HN THR 46 13.136 3.657 -3.966 347 HA THR 46 HA THR 46 15.263 3.514 -5.993 348 HB THR 46 HB THR 46 14.958 2.448 -3.313 349 HG1 THR 46 HG1 THR 46 16.934 3.162 -3.535 350 HG21 THR 46 HG21 THR 46 15.907 0.208 -3.720 351 HG22 THR 46 HG22 THR 46 14.282 0.368 -4.387 352 HG23 THR 46 HG23 THR 46 15.685 0.440 -5.454 353 H TYR 47 HN TYR 47 12.437 1.970 -4.780 354 HA TYR 47 HA TYR 47 12.293 -0.061 -6.789 355 HB2 TYR 47 HB2 TYR 47 10.273 0.688 -4.673 356 HB3 TYR 47 HB3 TYR 47 10.249 -0.760 -5.665 357 HD1 TYR 47 HD2 TYR 47 12.766 -1.980 -5.542 358 HD2 TYR 47 HD1 TYR 47 10.840 0.281 -2.527 359 HE1 TYR 47 HE2 TYR 47 14.043 -3.191 -3.822 360 HE2 TYR 47 HE1 TYR 47 12.070 -0.924 -0.781 361 HH TYR 47 HH TYR 47 14.701 -2.378 -1.100 362 H THR 48 HN THR 48 12.011 2.941 -7.410 363 HA THR 48 HA THR 48 9.482 3.745 -7.932 364 HB THR 48 HB THR 48 10.393 5.200 -9.705 365 HG1 THR 48 HG1 THR 48 12.303 4.791 -10.563 366 HG21 THR 48 HG21 THR 48 11.710 4.919 -7.038 367 HG22 THR 48 HG22 THR 48 12.311 6.125 -8.176 368 HG23 THR 48 HG23 THR 48 10.635 6.185 -7.631 369 H LYS 49 HN LYS 49 10.528 0.928 -9.269 370 HA LYS 49 HA LYS 49 9.218 1.269 -11.839 371 HB2 LYS 49 HB2 LYS 49 9.603 -1.320 -11.869 372 HB3 LYS 49 HB3 LYS 49 10.954 -0.234 -12.133 373 HG2 LYS 49 HG2 LYS 49 10.482 -1.027 -9.335 374 HG3 LYS 49 HG3 LYS 49 10.984 -2.313 -10.428 375 HD2 LYS 49 HD2 LYS 49 12.440 0.313 -10.308 376 HD3 LYS 49 HD3 LYS 49 12.826 -1.018 -9.217 377 HE2 LYS 49 HE2 LYS 49 12.642 -1.752 -12.055 378 HE3 LYS 49 HE3 LYS 49 13.951 -0.638 -11.661 379 HZ1 LYS 49 HZ1 LYS 49 13.466 -3.292 -10.422 380 HZ2 LYS 49 HZ2 LYS 49 14.673 -2.210 -9.938 381 HZ3 LYS 49 HZ3 LYS 49 14.719 -2.892 -11.485 382 H MET 50 HN MET 50 8.134 1.228 -8.878 383 HA MET 50 HA MET 50 5.608 -0.252 -9.400 384 HB2 MET 50 HB2 MET 50 7.557 -0.840 -7.443 385 HB3 MET 50 HB3 MET 50 6.313 0.029 -6.579 386 HG2 MET 50 HG2 MET 50 5.158 -1.842 -6.435 387 HG3 MET 50 HG3 MET 50 5.039 -1.892 -8.183 388 HE1 MET 50 HE1 MET 50 8.212 -2.559 -9.119 389 HE2 MET 50 HE2 MET 50 6.586 -2.872 -9.727 390 HE3 MET 50 HE3 MET 50 7.677 -4.215 -9.398 391 H VAL 51 HN VAL 51 3.806 0.745 -8.567 392 HA VAL 51 HA VAL 51 4.132 3.603 -8.112 393 HB VAL 51 HB VAL 51 2.269 2.028 -9.523 394 HG11 VAL 51 HG11 VAL 51 0.816 3.637 -7.455 395 HG12 VAL 51 HG12 VAL 51 0.151 2.543 -8.667 396 HG13 VAL 51 HG13 VAL 51 1.078 1.903 -7.316 397 HG21 VAL 51 HG21 VAL 51 1.260 4.382 -9.892 398 HG22 VAL 51 HG22 VAL 51 2.665 4.920 -8.972 399 HG23 VAL 51 HG23 VAL 51 2.885 4.013 -10.470 400 H PHE 52 HN PHE 52 3.898 4.515 -6.150 401 HA PHE 52 HA PHE 52 2.918 2.785 -3.991 402 HB2 PHE 52 HB2 PHE 52 4.903 5.044 -3.987 403 HB3 PHE 52 HB3 PHE 52 4.206 4.415 -2.502 404 HD1 PHE 52 HD2 PHE 52 5.846 3.243 -5.573 405 HD2 PHE 52 HD1 PHE 52 5.360 2.721 -1.400 406 HE1 PHE 52 HE2 PHE 52 7.550 1.464 -5.619 407 HE2 PHE 52 HE1 PHE 52 7.062 0.936 -1.416 408 HZ PHE 52 HZ PHE 52 8.155 0.309 -3.535 409 H ILE 53 HN ILE 53 1.015 3.189 -3.196 410 HA ILE 53 HA ILE 53 0.202 6.002 -2.816 411 HB ILE 53 HB ILE 53 -2.133 5.460 -3.375 412 HG12 ILE 53 HG12 ILE 53 -1.563 3.102 -4.976 413 HG13 ILE 53 HG13 ILE 53 -1.302 2.808 -3.259 414 HG21 ILE 53 HG21 ILE 53 -0.692 4.710 -5.842 415 HG22 ILE 53 HG22 ILE 53 -1.859 6.000 -5.553 416 HG23 ILE 53 HG23 ILE 53 -0.183 6.196 -5.040 417 HD11 ILE 53 HD11 ILE 53 -3.819 3.733 -4.614 418 HD12 ILE 53 HD12 ILE 53 -3.538 2.211 -3.767 419 HD13 ILE 53 HD13 ILE 53 -3.599 3.725 -2.863 420 H LYS 54 HN LYS 54 -1.600 6.163 -1.207 421 HA LYS 54 HA LYS 54 -1.565 3.990 0.788 422 HB2 LYS 54 HB2 LYS 54 -0.718 6.829 1.103 423 HB3 LYS 54 HB3 LYS 54 -1.752 6.202 2.372 424 HG2 LYS 54 HG2 LYS 54 -0.170 4.614 3.038 425 HG3 LYS 54 HG3 LYS 54 0.748 4.758 1.541 426 HD2 LYS 54 HD2 LYS 54 2.058 5.962 2.998 427 HD3 LYS 54 HD3 LYS 54 1.064 7.231 2.281 428 HE2 LYS 54 HE2 LYS 54 -0.299 7.388 4.187 429 HE3 LYS 54 HE3 LYS 54 0.266 5.843 4.823 430 HZ1 LYS 54 HZ1 LYS 54 2.550 7.148 4.770 431 HZ2 LYS 54 HZ2 LYS 54 1.500 7.228 6.094 432 HZ3 LYS 54 HZ3 LYS 54 1.516 8.475 4.952 433 H VAL 55 HN VAL 55 -3.506 3.563 1.693 434 HA VAL 55 HA VAL 55 -5.685 5.458 1.195 435 HB VAL 55 HB VAL 55 -5.659 2.520 0.543 436 HG11 VAL 55 HG11 VAL 55 -7.800 3.165 1.675 437 HG12 VAL 55 HG12 VAL 55 -8.083 4.292 0.347 438 HG13 VAL 55 HG13 VAL 55 -7.985 2.558 0.026 439 HG21 VAL 55 HG21 VAL 55 -5.066 4.740 -0.981 440 HG22 VAL 55 HG22 VAL 55 -5.394 3.111 -1.564 441 HG23 VAL 55 HG23 VAL 55 -6.700 4.292 -1.472 442 H ASP 56 HN ASP 56 -6.549 5.996 3.041 443 HA ASP 56 HA ASP 56 -6.223 4.394 5.406 444 HB2 ASP 56 HB2 ASP 56 -6.883 6.296 6.593 445 HB3 ASP 56 HB3 ASP 56 -6.144 6.988 5.159 446 H VAL 57 HN VAL 57 -7.945 3.679 6.760 447 HA VAL 57 HA VAL 57 -10.094 2.517 5.230 448 HB VAL 57 HB VAL 57 -10.580 1.187 7.153 449 HG11 VAL 57 HG11 VAL 57 -7.778 1.520 6.321 450 HG12 VAL 57 HG12 VAL 57 -8.024 0.630 7.825 451 HG13 VAL 57 HG13 VAL 57 -8.797 0.081 6.337 452 HG21 VAL 57 HG21 VAL 57 -9.418 1.545 9.318 453 HG22 VAL 57 HG22 VAL 57 -8.792 3.068 8.687 454 HG23 VAL 57 HG23 VAL 57 -10.530 2.847 8.892 455 H ASP 58 HN ASP 58 -9.693 5.214 7.344 456 HA ASP 58 HA ASP 58 -12.392 5.361 8.228 457 HB2 ASP 58 HB2 ASP 58 -9.945 6.801 8.698 458 HB3 ASP 58 HB3 ASP 58 -11.272 7.927 8.445 459 H GLU 59 HN GLU 59 -10.555 7.092 5.740 460 HA GLU 59 HA GLU 59 -12.728 8.758 4.983 461 HB2 GLU 59 HB2 GLU 59 -10.029 8.735 4.475 462 HB3 GLU 59 HB3 GLU 59 -10.706 8.286 2.916 463 HG2 GLU 59 HG2 GLU 59 -11.226 10.780 4.507 464 HG3 GLU 59 HG3 GLU 59 -10.455 10.638 2.929 465 H VAL 60 HN VAL 60 -11.390 5.753 3.610 466 HA VAL 60 HA VAL 60 -13.882 5.526 2.058 467 HB VAL 60 HB VAL 60 -12.384 4.153 0.440 468 HG11 VAL 60 HG11 VAL 60 -11.594 6.611 -0.435 469 HG12 VAL 60 HG12 VAL 60 -13.190 5.907 -0.697 470 HG13 VAL 60 HG13 VAL 60 -12.926 7.020 0.646 471 HG21 VAL 60 HG21 VAL 60 -10.355 4.111 1.709 472 HG22 VAL 60 HG22 VAL 60 -10.081 5.113 0.283 473 HG23 VAL 60 HG23 VAL 60 -10.350 5.869 1.854 474 H SER 61 HN SER 61 -14.661 4.283 3.880 475 HA SER 61 HA SER 61 -13.450 1.902 4.777 476 HB2 SER 61 HB2 SER 61 -15.916 3.321 5.221 477 HB3 SER 61 HB3 SER 61 -16.254 1.603 5.012 478 HG SER 61 HG SER 61 -14.239 2.576 6.747 479 H GLU 62 HN GLU 62 -15.530 2.632 2.066 480 HA GLU 62 HA GLU 62 -16.358 0.063 1.371 481 HB2 GLU 62 HB2 GLU 62 -15.753 2.475 -0.342 482 HB3 GLU 62 HB3 GLU 62 -16.463 0.998 -0.980 483 HG2 GLU 62 HG2 GLU 62 -18.300 1.297 0.727 484 HG3 GLU 62 HG3 GLU 62 -17.641 2.907 1.015 485 H VAL 63 HN VAL 63 -13.294 1.670 0.965 486 HA VAL 63 HA VAL 63 -12.168 -0.067 -0.966 487 HB VAL 63 HB VAL 63 -10.838 1.636 1.151 488 HG11 VAL 63 HG11 VAL 63 -9.721 -0.350 -0.625 489 HG12 VAL 63 HG12 VAL 63 -9.036 1.246 -0.924 490 HG13 VAL 63 HG13 VAL 63 -8.960 0.543 0.691 491 HG21 VAL 63 HG21 VAL 63 -10.635 3.317 -0.430 492 HG22 VAL 63 HG22 VAL 63 -10.870 2.218 -1.791 493 HG23 VAL 63 HG23 VAL 63 -12.236 2.666 -0.767 494 H THR 64 HN THR 64 -12.264 -0.045 2.536 495 HA THR 64 HA THR 64 -10.541 -2.183 3.059 496 HB THR 64 HB THR 64 -12.979 -1.242 4.586 497 HG1 THR 64 HG1 THR 64 -11.395 0.361 4.404 498 HG21 THR 64 HG21 THR 64 -11.919 -3.609 5.074 499 HG22 THR 64 HG22 THR 64 -10.682 -2.646 5.881 500 HG23 THR 64 HG23 THR 64 -12.364 -2.532 6.397 501 H GLU 65 HN GLU 65 -14.036 -2.089 2.487 502 HA GLU 65 HA GLU 65 -14.440 -4.887 2.814 503 HB2 GLU 65 HB2 GLU 65 -16.151 -2.946 2.938 504 HB3 GLU 65 HB3 GLU 65 -16.245 -3.121 1.190 505 HG2 GLU 65 HG2 GLU 65 -17.251 -5.175 1.308 506 HG3 GLU 65 HG3 GLU 65 -16.580 -5.534 2.899 507 H LYS 66 HN LYS 66 -13.916 -2.826 -0.017 508 HA LYS 66 HA LYS 66 -14.480 -4.682 -2.014 509 HB2 LYS 66 HB2 LYS 66 -12.423 -2.472 -2.078 510 HB3 LYS 66 HB3 LYS 66 -13.090 -3.293 -3.482 511 HG2 LYS 66 HG2 LYS 66 -15.195 -2.255 -1.822 512 HG3 LYS 66 HG3 LYS 66 -14.047 -0.986 -2.247 513 HD2 LYS 66 HD2 LYS 66 -14.256 -1.786 -4.641 514 HD3 LYS 66 HD3 LYS 66 -15.624 -2.761 -4.097 515 HE2 LYS 66 HE2 LYS 66 -16.746 -0.741 -3.301 516 HE3 LYS 66 HE3 LYS 66 -15.377 0.234 -3.833 517 HZ1 LYS 66 HZ1 LYS 66 -16.913 0.417 -5.548 518 HZ2 LYS 66 HZ2 LYS 66 -17.356 -1.214 -5.480 519 HZ3 LYS 66 HZ3 LYS 66 -15.852 -0.772 -6.116 520 H GLU 67 HN GLU 67 -11.642 -4.373 -0.006 521 HA GLU 67 HA GLU 67 -10.339 -6.489 -1.575 522 HB2 GLU 67 HB2 GLU 67 -9.251 -4.281 0.140 523 HB3 GLU 67 HB3 GLU 67 -8.292 -5.723 -0.167 524 HG2 GLU 67 HG2 GLU 67 -9.437 -3.916 -2.282 525 HG3 GLU 67 HG3 GLU 67 -7.775 -3.881 -1.698 526 H ASN 68 HN ASN 68 -12.364 -6.385 0.836 527 HA ASN 68 HA ASN 68 -12.808 -7.577 2.703 528 HB2 ASN 68 HB2 ASN 68 -12.747 -9.797 2.302 529 HB3 ASN 68 HB3 ASN 68 -12.227 -9.284 0.711 530 HD21 ASN 68 HD21 ASN 68 -10.057 -9.525 0.124 531 HD22 ASN 68 HD22 ASN 68 -9.001 -10.594 0.976 532 H ILE 69 HN ILE 69 -10.790 -5.714 3.023 533 HA ILE 69 HA ILE 69 -8.460 -6.636 4.284 534 HB ILE 69 HB ILE 69 -9.988 -4.065 4.695 535 HG12 ILE 69 HG12 ILE 69 -9.055 -4.609 2.371 536 HG13 ILE 69 HG13 ILE 69 -8.578 -3.074 3.082 537 HG21 ILE 69 HG21 ILE 69 -8.665 -3.779 6.457 538 HG22 ILE 69 HG22 ILE 69 -7.608 -5.114 5.996 539 HG23 ILE 69 HG23 ILE 69 -7.375 -3.517 5.281 540 HD11 ILE 69 HD11 ILE 69 -6.422 -3.644 3.173 541 HD12 ILE 69 HD12 ILE 69 -6.770 -5.306 3.649 542 HD13 ILE 69 HD13 ILE 69 -6.879 -4.834 1.952 543 H THR 70 HN THR 70 -8.285 -7.808 6.097 544 HA THR 70 HA THR 70 -10.423 -7.574 8.097 545 HB THR 70 HB THR 70 -10.059 -9.794 8.728 546 HG1 THR 70 HG1 THR 70 -7.627 -9.654 7.256 547 HG21 THR 70 HG21 THR 70 -10.692 -9.194 6.120 548 HG22 THR 70 HG22 THR 70 -9.442 -10.427 5.952 549 HG23 THR 70 HG23 THR 70 -10.895 -10.767 6.892 550 H SER 71 HN SER 71 -6.879 -7.687 7.765 551 HA SER 71 HA SER 71 -6.725 -6.701 10.542 552 HB2 SER 71 HB2 SER 71 -5.942 -8.957 10.591 553 HB3 SER 71 HB3 SER 71 -4.930 -8.701 9.169 554 HG SER 71 HG SER 71 -4.101 -8.533 11.558 555 H MET 72 HN MET 72 -5.427 -5.026 10.987 556 HA MET 72 HA MET 72 -3.854 -3.869 8.775 557 HB2 MET 72 HB2 MET 72 -4.901 -1.909 9.083 558 HB3 MET 72 HB3 MET 72 -6.005 -2.741 10.165 559 HG2 MET 72 HG2 MET 72 -3.437 -1.475 11.079 560 HG3 MET 72 HG3 MET 72 -4.990 -0.647 11.063 561 HE1 MET 72 HE1 MET 72 -6.245 -1.295 14.438 562 HE2 MET 72 HE2 MET 72 -6.932 -1.077 12.828 563 HE3 MET 72 HE3 MET 72 -5.556 -0.099 13.339 564 HA PRO 73 HA PRO 73 -2.534 -1.923 8.703 565 HB2 PRO 73 HB2 PRO 73 0.067 -1.718 8.054 566 HB3 PRO 73 HB3 PRO 73 -0.616 -0.779 9.390 567 HG2 PRO 73 HG2 PRO 73 0.925 -3.347 9.478 568 HG3 PRO 73 HG3 PRO 73 1.125 -1.894 10.475 569 HD2 PRO 73 HD2 PRO 73 -0.233 -4.084 11.327 570 HD3 PRO 73 HD3 PRO 73 -0.649 -2.437 11.843 571 H THR 74 HN THR 74 -2.603 -2.485 6.521 572 HA THR 74 HA THR 74 -1.485 -5.126 5.844 573 HB THR 74 HB THR 74 -3.746 -4.311 4.185 574 HG1 THR 74 HG1 THR 74 -4.963 -5.183 6.346 575 HG21 THR 74 HG21 THR 74 -4.343 -6.583 4.369 576 HG22 THR 74 HG22 THR 74 -2.579 -6.577 4.368 577 HG23 THR 74 HG23 THR 74 -3.459 -6.779 5.883 578 H PHE 75 HN PHE 75 -0.080 -5.154 4.240 579 HA PHE 75 HA PHE 75 -0.017 -2.924 2.301 580 HB2 PHE 75 HB2 PHE 75 2.223 -4.673 3.320 581 HB3 PHE 75 HB3 PHE 75 2.382 -3.647 1.910 582 HD1 PHE 75 HD1 PHE 75 0.321 -1.907 4.113 583 HD2 PHE 75 HD2 PHE 75 4.389 -3.046 3.577 584 HE1 PHE 75 HE1 PHE 75 1.037 -0.064 5.572 585 HE2 PHE 75 HE2 PHE 75 5.099 -1.196 5.036 586 HZ PHE 75 HZ PHE 75 3.421 0.296 6.027 587 H LYS 76 HN LYS 76 -0.803 -3.517 0.387 588 HA LYS 76 HA LYS 76 -0.432 -6.322 -0.449 589 HB2 LYS 76 HB2 LYS 76 -2.812 -4.590 -0.384 590 HB3 LYS 76 HB3 LYS 76 -2.603 -5.501 -1.871 591 HG2 LYS 76 HG2 LYS 76 -2.190 -7.450 -0.053 592 HG3 LYS 76 HG3 LYS 76 -3.310 -6.413 0.832 593 HD2 LYS 76 HD2 LYS 76 -4.089 -6.804 -1.940 594 HD3 LYS 76 HD3 LYS 76 -3.983 -8.319 -1.047 595 HE2 LYS 76 HE2 LYS 76 -5.511 -5.894 -0.113 596 HE3 LYS 76 HE3 LYS 76 -6.235 -7.255 -0.967 597 HZ1 LYS 76 HZ1 LYS 76 -5.516 -8.707 0.838 598 HZ2 LYS 76 HZ2 LYS 76 -6.530 -7.479 1.408 599 HZ3 LYS 76 HZ3 LYS 76 -4.861 -7.383 1.663 600 H VAL 77 HN VAL 77 0.139 -6.740 -2.544 601 HA VAL 77 HA VAL 77 0.860 -4.404 -4.182 602 HB VAL 77 HB VAL 77 2.023 -7.198 -4.298 603 HG11 VAL 77 HG11 VAL 77 2.954 -4.711 -5.728 604 HG12 VAL 77 HG12 VAL 77 3.546 -6.360 -5.938 605 HG13 VAL 77 HG13 VAL 77 1.918 -5.934 -6.465 606 HG21 VAL 77 HG21 VAL 77 2.603 -5.683 -2.305 607 HG22 VAL 77 HG22 VAL 77 3.934 -6.394 -3.219 608 HG23 VAL 77 HG23 VAL 77 3.484 -4.709 -3.483 609 H TYR 78 HN TYR 78 -0.047 -4.230 -6.166 610 HA TYR 78 HA TYR 78 -1.870 -6.400 -6.938 611 HB2 TYR 78 HB2 TYR 78 -2.044 -3.442 -7.400 612 HB3 TYR 78 HB3 TYR 78 -3.139 -4.592 -8.119 613 HD1 TYR 78 HD2 TYR 78 -1.953 -3.198 -4.910 614 HD2 TYR 78 HD1 TYR 78 -4.995 -5.432 -6.868 615 HE1 TYR 78 HE2 TYR 78 -3.347 -3.064 -2.890 616 HE2 TYR 78 HE1 TYR 78 -6.396 -5.302 -4.858 617 HH TYR 78 HH TYR 78 -6.316 -3.334 -2.695 618 H LYS 79 HN LYS 79 -1.740 -7.300 -8.886 619 HA LYS 79 HA LYS 79 0.143 -6.143 -10.835 620 HB2 LYS 79 HB2 LYS 79 1.012 -8.208 -9.834 621 HB3 LYS 79 HB3 LYS 79 -0.468 -9.055 -10.264 622 HG2 LYS 79 HG2 LYS 79 0.344 -9.547 -12.250 623 HG3 LYS 79 HG3 LYS 79 0.617 -7.839 -12.597 624 HD2 LYS 79 HD2 LYS 79 2.709 -8.216 -11.030 625 HD3 LYS 79 HD3 LYS 79 2.497 -9.892 -11.538 626 HE2 LYS 79 HE2 LYS 79 2.301 -8.642 -13.917 627 HE3 LYS 79 HE3 LYS 79 3.384 -7.535 -13.073 628 HZ1 LYS 79 HZ1 LYS 79 3.852 -10.254 -13.980 629 HZ2 LYS 79 HZ2 LYS 79 4.499 -9.870 -12.466 630 HZ3 LYS 79 HZ3 LYS 79 4.933 -8.961 -13.824 631 H ASN 80 HN ASN 80 -0.705 -5.599 -12.666 632 HA ASN 80 HA ASN 80 -2.145 -5.305 -14.389 633 HB2 ASN 80 HB2 ASN 80 -2.248 -8.194 -13.807 634 HB3 ASN 80 HB3 ASN 80 -3.603 -7.571 -14.740 635 HD21 ASN 80 HD21 ASN 80 -0.442 -8.689 -14.883 636 HD22 ASN 80 HD22 ASN 80 -0.075 -8.198 -16.497 637 H GLY 81 HN GLY 81 -3.042 -4.497 -11.768 638 HA2 GLY 81 HA2 GLY 81 -4.966 -3.440 -11.054 639 HA3 GLY 81 HA3 GLY 81 -5.816 -4.133 -12.420 640 H SER 82 HN SER 82 -4.076 -6.129 -10.097 641 HA SER 82 HA SER 82 -6.511 -6.679 -8.638 642 HB2 SER 82 HB2 SER 82 -5.857 -9.258 -9.153 643 HB3 SER 82 HB3 SER 82 -7.055 -8.358 -10.082 644 HG SER 82 HG SER 82 -4.783 -9.428 -10.936 645 H SER 83 HN SER 83 -6.120 -8.299 -6.856 646 HA SER 83 HA SER 83 -3.773 -7.501 -5.474 647 HB2 SER 83 HB2 SER 83 -4.674 -9.567 -3.981 648 HB3 SER 83 HB3 SER 83 -5.347 -7.942 -3.903 649 HG SER 83 HG SER 83 -6.310 -9.959 -5.647 650 H VAL 84 HN VAL 84 -1.831 -8.467 -5.260 651 HA VAL 84 HA VAL 84 -1.514 -11.074 -6.574 652 HB VAL 84 HB VAL 84 -0.443 -8.999 -7.623 653 HG11 VAL 84 HG11 VAL 84 2.030 -9.224 -6.224 654 HG12 VAL 84 HG12 VAL 84 1.050 -7.798 -6.563 655 HG13 VAL 84 HG13 VAL 84 0.754 -8.747 -5.112 656 HG21 VAL 84 HG21 VAL 84 1.740 -10.913 -7.283 657 HG22 VAL 84 HG22 VAL 84 0.188 -11.638 -7.704 658 HG23 VAL 84 HG23 VAL 84 0.891 -10.396 -8.742 659 H ASP 85 HN ASP 85 -0.642 -9.119 -3.775 660 HA ASP 85 HA ASP 85 -0.137 -11.529 -2.275 661 HB2 ASP 85 HB2 ASP 85 2.070 -10.601 -3.432 662 HB3 ASP 85 HB3 ASP 85 2.055 -9.532 -2.032 663 H THR 86 HN THR 86 0.394 -10.960 0.079 664 HA THR 86 HA THR 86 -0.703 -8.376 0.875 665 HB THR 86 HB THR 86 -2.047 -9.540 2.639 666 HG1 THR 86 HG1 THR 86 -1.673 -11.817 0.975 667 HG21 THR 86 HG21 THR 86 -2.640 -9.513 -0.249 668 HG22 THR 86 HG22 THR 86 -3.720 -10.476 0.759 669 HG23 THR 86 HG23 THR 86 -3.503 -8.757 1.090 670 H LEU 87 HN LEU 87 0.402 -7.495 2.536 671 HA LEU 87 HA LEU 87 2.216 -9.261 4.042 672 HB2 LEU 87 HB2 LEU 87 3.819 -7.958 3.194 673 HB3 LEU 87 HB3 LEU 87 2.667 -6.777 2.616 674 HG LEU 87 HG LEU 87 2.667 -5.710 4.846 675 HD11 LEU 87 HD11 LEU 87 4.160 -8.096 5.528 676 HD12 LEU 87 HD12 LEU 87 4.970 -6.613 6.036 677 HD13 LEU 87 HD13 LEU 87 3.319 -6.944 6.564 678 HD21 LEU 87 HD21 LEU 87 5.451 -6.023 3.752 679 HD22 LEU 87 HD22 LEU 87 4.201 -5.041 2.988 680 HD23 LEU 87 HD23 LEU 87 4.777 -4.635 4.605 681 H LEU 88 HN LEU 88 1.697 -9.529 6.086 682 HA LEU 88 HA LEU 88 -0.179 -7.703 7.367 683 HB2 LEU 88 HB2 LEU 88 0.495 -10.513 7.615 684 HB3 LEU 88 HB3 LEU 88 0.478 -9.724 9.180 685 HG LEU 88 HG LEU 88 -1.806 -9.688 7.207 686 HD11 LEU 88 HD11 LEU 88 -1.402 -11.283 9.732 687 HD12 LEU 88 HD12 LEU 88 -2.914 -11.175 8.831 688 HD13 LEU 88 HD13 LEU 88 -1.495 -11.914 8.088 689 HD21 LEU 88 HD21 LEU 88 -1.351 -8.448 9.883 690 HD22 LEU 88 HD22 LEU 88 -2.115 -7.772 8.444 691 HD23 LEU 88 HD23 LEU 88 -2.975 -8.960 9.423 692 H GLY 89 HN GLY 89 0.263 -6.443 9.117 693 HA2 GLY 89 HA2 GLY 89 1.518 -5.321 10.695 694 HA3 GLY 89 HA3 GLY 89 2.618 -6.698 10.704 695 H ALA 90 HN ALA 90 2.648 -3.499 10.240 696 HA ALA 90 HA ALA 90 4.195 -3.482 7.792 697 HB1 ALA 90 HB1 ALA 90 2.639 -1.595 9.158 698 HB2 ALA 90 HB2 ALA 90 4.293 -0.981 9.174 699 HB3 ALA 90 HB3 ALA 90 3.519 -1.387 7.643 700 H ASN 91 HN ASN 91 6.166 -4.187 7.874 701 HA ASN 91 HA ASN 91 7.958 -3.186 9.978 702 HB2 ASN 91 HB2 ASN 91 8.084 -5.884 8.601 703 HB3 ASN 91 HB3 ASN 91 9.267 -5.275 9.752 704 HD21 ASN 91 HD21 ASN 91 8.907 -7.015 11.129 705 HD22 ASN 91 HD22 ASN 91 7.461 -7.127 12.107 706 H ASP 92 HN ASP 92 9.926 -2.332 9.227 707 HA ASP 92 HA ASP 92 9.925 -1.411 6.549 708 HB2 ASP 92 HB2 ASP 92 12.172 -1.539 8.582 709 HB3 ASP 92 HB3 ASP 92 12.261 -0.672 7.052 710 H SER 93 HN SER 93 11.633 -4.008 8.219 711 HA SER 93 HA SER 93 13.207 -4.867 6.029 712 HB2 SER 93 HB2 SER 93 12.432 -6.532 8.409 713 HB3 SER 93 HB3 SER 93 13.891 -6.639 7.432 714 HG SER 93 HG SER 93 14.602 -4.720 8.295 715 H ALA 94 HN ALA 94 10.054 -5.916 7.264 716 HA ALA 94 HA ALA 94 9.929 -8.268 5.659 717 HB1 ALA 94 HB1 ALA 94 8.573 -7.809 7.749 718 HB2 ALA 94 HB2 ALA 94 7.555 -6.774 6.747 719 HB3 ALA 94 HB3 ALA 94 7.688 -8.494 6.386 720 H LEU 95 HN LEU 95 8.697 -5.007 5.304 721 HA LEU 95 HA LEU 95 7.438 -5.533 2.821 722 HB2 LEU 95 HB2 LEU 95 6.592 -3.643 3.812 723 HB3 LEU 95 HB3 LEU 95 8.162 -3.116 4.388 724 HG LEU 95 HG LEU 95 8.418 -2.983 1.637 725 HD11 LEU 95 HD11 LEU 95 6.051 -3.412 1.394 726 HD12 LEU 95 HD12 LEU 95 5.687 -2.001 2.393 727 HD13 LEU 95 HD13 LEU 95 6.488 -1.794 0.832 728 HD21 LEU 95 HD21 LEU 95 8.886 -1.387 3.725 729 HD22 LEU 95 HD22 LEU 95 8.953 -0.845 2.040 730 HD23 LEU 95 HD23 LEU 95 7.499 -0.551 3.014 731 H LYS 96 HN LYS 96 10.654 -4.612 3.877 732 HA LYS 96 HA LYS 96 11.719 -3.662 1.489 733 HB2 LYS 96 HB2 LYS 96 13.027 -3.570 3.517 734 HB3 LYS 96 HB3 LYS 96 12.975 -5.314 3.693 735 HG2 LYS 96 HG2 LYS 96 15.146 -4.713 2.933 736 HG3 LYS 96 HG3 LYS 96 14.305 -5.506 1.600 737 HD2 LYS 96 HD2 LYS 96 14.950 -3.745 0.383 738 HD3 LYS 96 HD3 LYS 96 13.664 -2.869 1.215 739 HE2 LYS 96 HE2 LYS 96 15.152 -1.535 2.188 740 HE3 LYS 96 HE3 LYS 96 16.006 -2.922 2.862 741 HZ1 LYS 96 HZ1 LYS 96 16.811 -2.973 0.306 742 HZ2 LYS 96 HZ2 LYS 96 17.660 -2.209 1.553 743 HZ3 LYS 96 HZ3 LYS 96 16.640 -1.307 0.549 744 H GLN 97 HN GLN 97 11.302 -6.915 2.732 745 HA GLN 97 HA GLN 97 12.368 -8.230 0.434 746 HB2 GLN 97 HB2 GLN 97 11.000 -9.035 2.942 747 HB3 GLN 97 HB3 GLN 97 10.875 -10.147 1.585 748 HG2 GLN 97 HG2 GLN 97 12.744 -10.669 3.088 749 HG3 GLN 97 HG3 GLN 97 13.267 -10.321 1.440 750 HE21 GLN 97 HE21 GLN 97 14.251 -9.975 4.422 751 HE22 GLN 97 HE22 GLN 97 15.036 -8.438 4.358 752 H LEU 98 HN LEU 98 9.161 -7.115 1.453 753 HA LEU 98 HA LEU 98 7.687 -8.600 -0.441 754 HB2 LEU 98 HB2 LEU 98 6.640 -7.664 1.515 755 HB3 LEU 98 HB3 LEU 98 7.081 -6.040 1.018 756 HG LEU 98 HG LEU 98 5.627 -7.202 -1.094 757 HD11 LEU 98 HD11 LEU 98 4.826 -8.359 1.326 758 HD12 LEU 98 HD12 LEU 98 3.608 -7.143 0.943 759 HD13 LEU 98 HD13 LEU 98 3.983 -8.411 -0.222 760 HD21 LEU 98 HD21 LEU 98 4.667 -5.133 0.860 761 HD22 LEU 98 HD22 LEU 98 5.859 -4.801 -0.397 762 HD23 LEU 98 HD23 LEU 98 4.229 -5.309 -0.839 763 H ILE 99 HN ILE 99 8.823 -5.237 -0.444 764 HA ILE 99 HA ILE 99 7.851 -4.693 -3.043 765 HB ILE 99 HB ILE 99 8.122 -2.834 -1.614 766 HG12 ILE 99 HG12 ILE 99 9.645 -1.417 -2.940 767 HG13 ILE 99 HG13 ILE 99 10.150 -2.843 -3.817 768 HG21 ILE 99 HG21 ILE 99 10.189 -1.972 -0.747 769 HG22 ILE 99 HG22 ILE 99 9.928 -3.607 -0.143 770 HG23 ILE 99 HG23 ILE 99 11.081 -3.327 -1.443 771 HD11 ILE 99 HD11 ILE 99 7.425 -1.615 -3.722 772 HD12 ILE 99 HD12 ILE 99 8.500 -1.777 -5.111 773 HD13 ILE 99 HD13 ILE 99 7.763 -3.211 -4.393 774 H GLU 100 HN GLU 100 10.822 -5.898 -1.792 775 HA GLU 100 HA GLU 100 12.372 -5.579 -4.107 776 HB2 GLU 100 HB2 GLU 100 12.557 -7.114 -1.590 777 HB3 GLU 100 HB3 GLU 100 13.493 -7.751 -2.937 778 HG2 GLU 100 HG2 GLU 100 14.209 -5.190 -3.111 779 HG3 GLU 100 HG3 GLU 100 13.841 -5.259 -1.389 780 H LYS 101 HN LYS 101 10.104 -8.027 -3.105 781 HA LYS 101 HA LYS 101 10.814 -10.075 -4.877 782 HB2 LYS 101 HB2 LYS 101 8.741 -9.470 -3.014 783 HB3 LYS 101 HB3 LYS 101 8.011 -10.104 -4.476 784 HG2 LYS 101 HG2 LYS 101 9.628 -12.036 -4.303 785 HG3 LYS 101 HG3 LYS 101 10.019 -11.439 -2.688 786 HD2 LYS 101 HD2 LYS 101 7.206 -11.492 -2.872 787 HD3 LYS 101 HD3 LYS 101 7.782 -13.019 -3.539 788 HE2 LYS 101 HE2 LYS 101 9.333 -12.884 -1.364 789 HE3 LYS 101 HE3 LYS 101 7.956 -11.950 -0.783 790 HZ1 LYS 101 HZ1 LYS 101 7.589 -14.595 -2.048 791 HZ2 LYS 101 HZ2 LYS 101 6.534 -13.759 -1.025 792 HZ3 LYS 101 HZ3 LYS 101 7.942 -14.455 -0.399 793 H TYR 102 HN TYR 102 8.396 -7.503 -5.224 794 HA TYR 102 HA TYR 102 7.914 -8.363 -7.971 795 HB2 TYR 102 HB2 TYR 102 6.404 -6.179 -6.572 796 HB3 TYR 102 HB3 TYR 102 5.867 -7.243 -7.873 797 HD1 TYR 102 HD1 TYR 102 5.207 -9.539 -7.410 798 HD2 TYR 102 HD2 TYR 102 6.350 -6.900 -4.279 799 HE1 TYR 102 HE1 TYR 102 4.269 -11.097 -5.767 800 HE2 TYR 102 HE2 TYR 102 5.405 -8.455 -2.622 801 HH TYR 102 HH TYR 102 4.878 -10.837 -2.437 802 H ALA 103 HN ALA 103 9.356 -5.847 -6.111 803 HA ALA 103 HA ALA 103 9.620 -4.158 -8.491 804 HB1 ALA 103 HB1 ALA 103 10.722 -3.164 -5.967 805 HB2 ALA 103 HB2 ALA 103 9.658 -2.377 -7.134 806 HB3 ALA 103 HB3 ALA 103 8.991 -3.495 -5.945 807 H ALA 104 HN ALA 104 11.501 -5.939 -6.107 808 HA ALA 104 HA ALA 104 13.918 -5.206 -7.592 809 HB1 ALA 104 HB1 ALA 104 13.851 -4.893 -5.091 810 HB2 ALA 104 HB2 ALA 104 13.902 -6.652 -4.967 811 HB3 ALA 104 HB3 ALA 104 15.232 -5.784 -5.729 Start of MODEL 3 1 HA SER 1 HA SER 1 6.991 10.556 -2.811 2 HB2 SER 1 HB2 SER 1 5.783 10.754 -5.552 3 HB3 SER 1 HB3 SER 1 4.952 11.509 -4.190 4 HG SER 1 HG SER 1 6.308 13.081 -4.466 5 H VAL 2 HN VAL 2 6.207 9.119 -1.275 6 HA VAL 2 HA VAL 2 4.166 7.213 -1.770 7 HB VAL 2 HB VAL 2 4.629 8.459 0.950 8 HG11 VAL 2 HG11 VAL 2 2.802 6.896 0.806 9 HG12 VAL 2 HG12 VAL 2 3.834 5.711 0.006 10 HG13 VAL 2 HG13 VAL 2 4.136 6.150 1.687 11 HG21 VAL 2 HG21 VAL 2 6.299 6.410 1.070 12 HG22 VAL 2 HG22 VAL 2 6.460 6.759 -0.651 13 HG23 VAL 2 HG23 VAL 2 6.824 8.008 0.539 14 H LYS 3 HN LYS 3 2.371 7.909 -2.684 15 HA LYS 3 HA LYS 3 1.175 10.436 -1.894 16 HB2 LYS 3 HB2 LYS 3 1.702 9.727 -4.261 17 HB3 LYS 3 HB3 LYS 3 0.376 8.582 -4.114 18 HG2 LYS 3 HG2 LYS 3 -0.826 10.230 -4.937 19 HG3 LYS 3 HG3 LYS 3 -0.813 10.837 -3.289 20 HD2 LYS 3 HD2 LYS 3 1.400 11.997 -4.044 21 HD3 LYS 3 HD3 LYS 3 0.747 11.756 -5.665 22 HE2 LYS 3 HE2 LYS 3 -1.371 12.781 -4.157 23 HE3 LYS 3 HE3 LYS 3 0.041 13.716 -3.670 24 HZ1 LYS 3 HZ1 LYS 3 -0.447 13.259 -6.529 25 HZ2 LYS 3 HZ2 LYS 3 0.321 14.558 -5.765 26 HZ3 LYS 3 HZ3 LYS 3 -1.365 14.428 -5.720 27 H ILE 4 HN ILE 4 -0.585 10.617 -0.734 28 HA ILE 4 HA ILE 4 -2.100 8.205 -0.042 29 HB ILE 4 HB ILE 4 -2.297 10.924 1.255 30 HG12 ILE 4 HG12 ILE 4 -0.800 8.583 2.409 31 HG13 ILE 4 HG13 ILE 4 0.002 9.734 1.344 32 HG21 ILE 4 HG21 ILE 4 -4.021 8.850 1.418 33 HG22 ILE 4 HG22 ILE 4 -2.926 8.469 2.747 34 HG23 ILE 4 HG23 ILE 4 -3.760 10.023 2.709 35 HD11 ILE 4 HD11 ILE 4 -1.335 11.281 3.244 36 HD12 ILE 4 HD12 ILE 4 -0.603 9.947 4.136 37 HD13 ILE 4 HD13 ILE 4 0.399 10.984 3.121 38 H VAL 5 HN VAL 5 -3.874 7.851 -1.208 39 HA VAL 5 HA VAL 5 -5.158 10.095 -2.559 40 HB VAL 5 HB VAL 5 -4.775 8.311 -4.033 41 HG11 VAL 5 HG11 VAL 5 -4.274 6.414 -2.860 42 HG12 VAL 5 HG12 VAL 5 -5.634 6.604 -1.752 43 HG13 VAL 5 HG13 VAL 5 -5.906 6.005 -3.387 44 HG21 VAL 5 HG21 VAL 5 -6.892 7.800 -4.878 45 HG22 VAL 5 HG22 VAL 5 -7.629 7.761 -3.277 46 HG23 VAL 5 HG23 VAL 5 -7.141 9.302 -3.986 47 H THR 6 HN THR 6 -6.847 11.082 -1.738 48 HA THR 6 HA THR 6 -8.223 9.936 0.547 49 HB THR 6 HB THR 6 -7.553 12.187 0.860 50 HG1 THR 6 HG1 THR 6 -9.618 13.182 1.186 51 HG21 THR 6 HG21 THR 6 -8.424 12.481 -1.913 52 HG22 THR 6 HG22 THR 6 -8.950 13.803 -0.870 53 HG23 THR 6 HG23 THR 6 -7.236 13.407 -0.996 54 H SER 7 HN SER 7 -8.784 9.875 -2.758 55 HA SER 7 HA SER 7 -11.700 9.927 -2.373 56 HB2 SER 7 HB2 SER 7 -10.747 9.589 -5.123 57 HB3 SER 7 HB3 SER 7 -11.901 10.748 -4.464 58 HG SER 7 HG SER 7 -10.373 12.170 -4.549 59 H GLN 8 HN GLN 8 -13.001 8.226 -3.190 60 HA GLN 8 HA GLN 8 -11.865 5.642 -2.773 61 HB2 GLN 8 HB2 GLN 8 -14.048 5.657 -2.076 62 HB3 GLN 8 HB3 GLN 8 -14.567 6.741 -3.353 63 HG2 GLN 8 HG2 GLN 8 -15.626 4.703 -3.768 64 HG3 GLN 8 HG3 GLN 8 -14.318 4.795 -4.940 65 HE21 GLN 8 HE21 GLN 8 -12.150 3.970 -3.595 66 HE22 GLN 8 HE22 GLN 8 -12.352 2.378 -3.034 67 H SER 9 HN SER 9 -13.238 7.228 -5.628 68 HA SER 9 HA SER 9 -12.673 5.137 -7.433 69 HB2 SER 9 HB2 SER 9 -12.800 7.175 -9.121 70 HB3 SER 9 HB3 SER 9 -14.249 6.595 -8.299 71 HG SER 9 HG SER 9 -13.160 9.015 -8.200 72 H GLU 10 HN GLU 10 -10.865 7.979 -6.385 73 HA GLU 10 HA GLU 10 -8.786 7.846 -8.267 74 HB2 GLU 10 HB2 GLU 10 -8.914 8.892 -5.443 75 HB3 GLU 10 HB3 GLU 10 -7.432 8.963 -6.386 76 HG2 GLU 10 HG2 GLU 10 -9.037 10.091 -8.154 77 HG3 GLU 10 HG3 GLU 10 -9.960 10.476 -6.703 78 H PHE 11 HN PHE 11 -9.366 6.186 -5.238 79 HA PHE 11 HA PHE 11 -6.840 4.915 -5.001 80 HB2 PHE 11 HB2 PHE 11 -8.147 4.925 -3.031 81 HB3 PHE 11 HB3 PHE 11 -9.594 4.434 -3.886 82 HD1 PHE 11 HD2 PHE 11 -6.179 3.138 -3.152 83 HD2 PHE 11 HD1 PHE 11 -10.320 2.306 -3.586 84 HE1 PHE 11 HE2 PHE 11 -5.776 0.809 -2.491 85 HE2 PHE 11 HE1 PHE 11 -9.932 -0.026 -2.929 86 HZ PHE 11 HZ PHE 11 -7.661 -0.776 -2.375 87 H ASP 12 HN ASP 12 -9.968 3.838 -6.229 88 HA ASP 12 HA ASP 12 -9.094 1.297 -7.120 89 HB2 ASP 12 HB2 ASP 12 -11.443 3.022 -7.869 90 HB3 ASP 12 HB3 ASP 12 -11.221 1.400 -8.499 91 H SER 13 HN SER 13 -9.177 4.469 -8.570 92 HA SER 13 HA SER 13 -8.779 3.712 -11.251 93 HB2 SER 13 HB2 SER 13 -9.507 5.981 -10.456 94 HB3 SER 13 HB3 SER 13 -7.850 6.272 -9.938 95 HG SER 13 HG SER 13 -8.799 6.765 -12.278 96 H ILE 14 HN ILE 14 -6.563 4.442 -8.604 97 HA ILE 14 HA ILE 14 -4.194 4.395 -10.147 98 HB ILE 14 HB ILE 14 -4.693 3.811 -7.230 99 HG12 ILE 14 HG12 ILE 14 -3.147 6.181 -8.068 100 HG13 ILE 14 HG13 ILE 14 -4.830 6.181 -8.589 101 HG21 ILE 14 HG21 ILE 14 -2.021 4.548 -7.519 102 HG22 ILE 14 HG22 ILE 14 -2.646 2.946 -7.127 103 HG23 ILE 14 HG23 ILE 14 -2.305 3.372 -8.803 104 HD11 ILE 14 HD11 ILE 14 -5.117 7.159 -6.587 105 HD12 ILE 14 HD12 ILE 14 -5.170 5.484 -6.040 106 HD13 ILE 14 HD13 ILE 14 -3.679 6.414 -5.890 107 H ILE 15 HN ILE 15 -6.023 1.915 -8.523 108 HA ILE 15 HA ILE 15 -4.165 -0.183 -8.660 109 HB ILE 15 HB ILE 15 -7.140 -0.631 -8.826 110 HG12 ILE 15 HG12 ILE 15 -6.782 1.076 -7.126 111 HG13 ILE 15 HG13 ILE 15 -7.131 -0.451 -6.373 112 HG21 ILE 15 HG21 ILE 15 -5.667 -2.205 -6.915 113 HG22 ILE 15 HG22 ILE 15 -6.626 -2.736 -8.305 114 HG23 ILE 15 HG23 ILE 15 -4.926 -2.321 -8.519 115 HD11 ILE 15 HD11 ILE 15 -5.327 -0.193 -5.153 116 HD12 ILE 15 HD12 ILE 15 -4.393 -0.442 -6.629 117 HD13 ILE 15 HD13 ILE 15 -4.815 1.196 -6.116 118 H SER 16 HN SER 16 -6.674 0.792 -10.954 119 HA SER 16 HA SER 16 -6.082 -1.386 -12.764 120 HB2 SER 16 HB2 SER 16 -8.297 0.302 -12.273 121 HB3 SER 16 HB3 SER 16 -7.831 0.526 -13.959 122 HG SER 16 HG SER 16 -9.257 -1.404 -13.056 123 H GLN 17 HN GLN 17 -5.162 1.957 -12.572 124 HA GLN 17 HA GLN 17 -4.517 2.184 -15.373 125 HB2 GLN 17 HB2 GLN 17 -4.539 3.969 -13.054 126 HB3 GLN 17 HB3 GLN 17 -3.331 4.340 -14.264 127 HG2 GLN 17 HG2 GLN 17 -5.835 5.274 -14.294 128 HG3 GLN 17 HG3 GLN 17 -4.840 5.092 -15.723 129 HE21 GLN 17 HE21 GLN 17 -7.754 4.356 -14.262 130 HE22 GLN 17 HE22 GLN 17 -8.307 3.142 -15.359 131 H ASN 18 HN ASN 18 -2.966 0.336 -13.360 132 HA ASN 18 HA ASN 18 -0.399 0.828 -14.610 133 HB2 ASN 18 HB2 ASN 18 -0.613 0.696 -11.600 134 HB3 ASN 18 HB3 ASN 18 0.847 0.950 -12.544 135 HD21 ASN 18 HD21 ASN 18 -2.220 2.357 -11.607 136 HD22 ASN 18 HD22 ASN 18 -1.764 4.001 -11.885 137 H GLU 19 HN GLU 19 1.099 -0.933 -14.414 138 HA GLU 19 HA GLU 19 -0.161 -3.483 -14.496 139 HB2 GLU 19 HB2 GLU 19 2.300 -2.405 -15.311 140 HB3 GLU 19 HB3 GLU 19 2.706 -3.652 -14.143 141 HG2 GLU 19 HG2 GLU 19 2.056 -5.323 -15.499 142 HG3 GLU 19 HG3 GLU 19 0.704 -4.406 -16.162 143 H LEU 20 HN LEU 20 2.111 -1.986 -12.161 144 HA LEU 20 HA LEU 20 1.033 -3.892 -10.205 145 HB2 LEU 20 HB2 LEU 20 3.488 -4.215 -11.049 146 HB3 LEU 20 HB3 LEU 20 3.805 -2.848 -10.005 147 HG LEU 20 HG LEU 20 3.178 -4.050 -8.056 148 HD11 LEU 20 HD11 LEU 20 1.846 -5.825 -9.994 149 HD12 LEU 20 HD12 LEU 20 2.583 -6.614 -8.600 150 HD13 LEU 20 HD13 LEU 20 1.368 -5.359 -8.362 151 HD21 LEU 20 HD21 LEU 20 5.051 -5.311 -9.951 152 HD22 LEU 20 HD22 LEU 20 5.317 -4.722 -8.310 153 HD23 LEU 20 HD23 LEU 20 4.561 -6.294 -8.571 154 H VAL 21 HN VAL 21 0.257 -2.968 -8.434 155 HA VAL 21 HA VAL 21 1.083 -0.234 -7.824 156 HB VAL 21 HB VAL 21 -1.786 -0.978 -7.398 157 HG11 VAL 21 HG11 VAL 21 -1.981 1.126 -6.730 158 HG12 VAL 21 HG12 VAL 21 -0.220 1.213 -6.761 159 HG13 VAL 21 HG13 VAL 21 -1.153 1.737 -8.162 160 HG21 VAL 21 HG21 VAL 21 -2.423 -0.682 -9.530 161 HG22 VAL 21 HG22 VAL 21 -1.264 0.619 -9.795 162 HG23 VAL 21 HG23 VAL 21 -0.750 -1.061 -9.933 163 H ILE 22 HN ILE 22 1.895 -0.102 -5.867 164 HA ILE 22 HA ILE 22 0.848 -2.072 -3.909 165 HB ILE 22 HB ILE 22 3.164 -2.484 -4.165 166 HG12 ILE 22 HG12 ILE 22 4.061 -1.882 -1.926 167 HG13 ILE 22 HG13 ILE 22 2.709 -0.785 -1.704 168 HG21 ILE 22 HG21 ILE 22 4.743 -0.448 -3.582 169 HG22 ILE 22 HG22 ILE 22 4.180 -0.751 -5.225 170 HG23 ILE 22 HG23 ILE 22 3.385 0.471 -4.232 171 HD11 ILE 22 HD11 ILE 22 2.864 -3.571 -1.177 172 HD12 ILE 22 HD12 ILE 22 1.534 -2.456 -0.868 173 HD13 ILE 22 HD13 ILE 22 1.641 -3.294 -2.416 174 H VAL 23 HN VAL 23 -0.269 -1.347 -2.352 175 HA VAL 23 HA VAL 23 -0.006 1.440 -1.507 176 HB VAL 23 HB VAL 23 -1.952 1.260 -3.015 177 HG11 VAL 23 HG11 VAL 23 -2.555 -1.041 -2.685 178 HG12 VAL 23 HG12 VAL 23 -2.935 -0.738 -0.989 179 HG13 VAL 23 HG13 VAL 23 -3.927 -0.019 -2.257 180 HG21 VAL 23 HG21 VAL 23 -3.693 1.984 -1.198 181 HG22 VAL 23 HG22 VAL 23 -2.298 1.909 -0.124 182 HG23 VAL 23 HG23 VAL 23 -2.277 2.982 -1.523 183 H ASP 24 HN ASP 24 -0.307 1.804 0.638 184 HA ASP 24 HA ASP 24 -0.562 -0.626 2.263 185 HB2 ASP 24 HB2 ASP 24 0.798 2.003 2.790 186 HB3 ASP 24 HB3 ASP 24 0.519 0.816 4.047 187 H PHE 25 HN PHE 25 -2.534 -0.900 3.054 188 HA PHE 25 HA PHE 25 -4.262 1.388 3.598 189 HB2 PHE 25 HB2 PHE 25 -4.737 -1.578 4.074 190 HB3 PHE 25 HB3 PHE 25 -5.957 -0.303 4.101 191 HD1 PHE 25 HD2 PHE 25 -6.669 0.779 2.025 192 HD2 PHE 25 HD1 PHE 25 -3.908 -2.458 1.995 193 HE1 PHE 25 HE2 PHE 25 -7.025 0.505 -0.390 194 HE2 PHE 25 HE1 PHE 25 -4.254 -2.737 -0.427 195 HZ PHE 25 HZ PHE 25 -5.811 -1.253 -1.641 196 H PHE 26 HN PHE 26 -3.887 2.440 5.395 197 HA PHE 26 HA PHE 26 -3.046 0.854 7.653 198 HB2 PHE 26 HB2 PHE 26 -1.387 2.690 8.264 199 HB3 PHE 26 HB3 PHE 26 -1.102 2.091 6.631 200 HD1 PHE 26 HD2 PHE 26 -2.530 3.421 4.783 201 HD2 PHE 26 HD1 PHE 26 -1.285 5.010 8.540 202 HE1 PHE 26 HE2 PHE 26 -2.769 5.698 3.881 203 HE2 PHE 26 HE1 PHE 26 -1.509 7.284 7.642 204 HZ PHE 26 HZ PHE 26 -2.232 7.641 5.320 205 H ALA 27 HN ALA 27 -3.214 3.138 9.988 206 HA ALA 27 HA ALA 27 -5.467 4.786 9.259 207 HB1 ALA 27 HB1 ALA 27 -6.782 3.987 11.307 208 HB2 ALA 27 HB2 ALA 27 -6.612 2.762 10.040 209 HB3 ALA 27 HB3 ALA 27 -5.600 2.666 11.465 210 H GLU 28 HN GLU 28 -5.352 6.695 10.235 211 HA GLU 28 HA GLU 28 -2.999 8.001 10.927 212 HB2 GLU 28 HB2 GLU 28 -5.303 8.800 10.420 213 HB3 GLU 28 HB3 GLU 28 -5.649 8.749 12.147 214 HG2 GLU 28 HG2 GLU 28 -3.274 9.988 12.145 215 HG3 GLU 28 HG3 GLU 28 -3.927 10.546 10.608 216 H TRP 29 HN TRP 29 -4.229 5.749 13.970 217 HA TRP 29 HA TRP 29 -3.285 8.090 16.092 218 HB2 TRP 29 HB2 TRP 29 -5.081 6.517 17.396 219 HB3 TRP 29 HB3 TRP 29 -5.698 7.687 16.265 220 HD1 TRP 29 HD1 TRP 29 -7.974 6.555 14.430 221 HE1 TRP 29 HE1 TRP 29 -8.599 4.128 14.044 222 HE3 TRP 29 HE3 TRP 29 -4.630 4.005 17.709 223 HZ2 TRP 29 HZ2 TRP 29 -7.995 1.583 14.925 224 HZ3 TRP 29 HZ3 TRP 29 -4.867 1.569 17.824 225 HH2 TRP 29 HH2 TRP 29 -6.540 0.391 16.498 226 H CYS 30 HN CYS 30 -1.916 4.979 14.313 227 HA CYS 30 HA CYS 30 -1.041 4.003 16.943 228 HB2 CYS 30 HB2 CYS 30 -0.251 2.061 15.408 229 HB3 CYS 30 HB3 CYS 30 -1.968 2.229 15.753 230 H GLY 31 HN GLY 31 1.175 3.313 17.167 231 HA2 GLY 31 HA2 GLY 31 3.042 5.268 16.277 232 HA3 GLY 31 HA3 GLY 31 3.419 3.813 17.183 233 HA PRO 32 HA PRO 32 4.864 1.480 13.667 234 HB2 PRO 32 HB2 PRO 32 2.875 -0.199 12.784 235 HB3 PRO 32 HB3 PRO 32 3.939 -0.522 14.154 236 HG2 PRO 32 HG2 PRO 32 1.161 0.616 14.129 237 HG3 PRO 32 HG3 PRO 32 1.837 -0.615 15.204 238 HD2 PRO 32 HD2 PRO 32 1.572 1.875 16.039 239 HD3 PRO 32 HD3 PRO 32 3.031 0.957 16.452 240 H CYS 33 HN CYS 33 1.438 2.294 12.882 241 HA CYS 33 HA CYS 33 1.666 2.229 10.141 242 HB2 CYS 33 HB2 CYS 33 -0.012 4.276 10.279 243 HB3 CYS 33 HB3 CYS 33 -0.498 2.659 10.769 244 H LYS 34 HN LYS 34 2.298 5.087 12.184 245 HA LYS 34 HA LYS 34 3.294 6.682 10.047 246 HB2 LYS 34 HB2 LYS 34 2.397 7.531 12.247 247 HB3 LYS 34 HB3 LYS 34 3.904 7.006 12.986 248 HG2 LYS 34 HG2 LYS 34 4.534 8.589 10.711 249 HG3 LYS 34 HG3 LYS 34 3.335 9.449 11.677 250 HD2 LYS 34 HD2 LYS 34 5.080 10.133 12.905 251 HD3 LYS 34 HD3 LYS 34 5.056 8.507 13.589 252 HE2 LYS 34 HE2 LYS 34 7.129 8.238 12.834 253 HE3 LYS 34 HE3 LYS 34 6.479 8.280 11.196 254 HZ1 LYS 34 HZ1 LYS 34 7.718 10.457 12.749 255 HZ2 LYS 34 HZ2 LYS 34 6.658 10.813 11.480 256 HZ3 LYS 34 HZ3 LYS 34 8.071 9.933 11.179 257 H ARG 35 HN ARG 35 4.757 4.483 12.315 258 HA ARG 35 HA ARG 35 7.462 5.195 11.901 259 HB2 ARG 35 HB2 ARG 35 6.287 3.810 13.796 260 HB3 ARG 35 HB3 ARG 35 6.685 2.445 12.763 261 HG2 ARG 35 HG2 ARG 35 9.070 3.356 12.780 262 HG3 ARG 35 HG3 ARG 35 8.540 4.361 14.130 263 HD2 ARG 35 HD2 ARG 35 7.788 2.286 15.288 264 HD3 ARG 35 HD3 ARG 35 8.508 1.350 13.978 265 HE ARG 35 HE ARG 35 10.438 3.100 15.027 266 HH11 ARG 35 HH11 ARG 35 8.659 0.230 15.910 267 HH12 ARG 35 HH12 ARG 35 9.895 -0.362 16.968 268 HH21 ARG 35 HH21 ARG 35 12.065 2.323 16.419 269 HH22 ARG 35 HH22 ARG 35 11.828 0.826 17.258 270 H ILE 36 HN ILE 36 5.331 3.085 10.161 271 HA ILE 36 HA ILE 36 7.457 1.689 8.846 272 HB ILE 36 HB ILE 36 5.374 0.527 9.337 273 HG12 ILE 36 HG12 ILE 36 5.176 -0.658 7.298 274 HG13 ILE 36 HG13 ILE 36 5.580 0.761 6.340 275 HG21 ILE 36 HG21 ILE 36 3.401 1.045 7.807 276 HG22 ILE 36 HG22 ILE 36 3.684 2.102 9.188 277 HG23 ILE 36 HG23 ILE 36 4.171 2.617 7.572 278 HD11 ILE 36 HD11 ILE 36 7.327 -1.052 6.547 279 HD12 ILE 36 HD12 ILE 36 7.849 0.598 6.883 280 HD13 ILE 36 HD13 ILE 36 7.536 -0.515 8.214 281 H ALA 37 HN ALA 37 5.865 4.650 8.412 282 HA ALA 37 HA ALA 37 5.822 4.844 5.596 283 HB1 ALA 37 HB1 ALA 37 5.039 6.926 5.934 284 HB2 ALA 37 HB2 ALA 37 4.894 6.384 7.606 285 HB3 ALA 37 HB3 ALA 37 6.298 7.326 7.103 286 HA PRO 38 HA PRO 38 10.138 7.226 6.328 287 HB2 PRO 38 HB2 PRO 38 11.072 5.363 8.461 288 HB3 PRO 38 HB3 PRO 38 11.403 7.086 8.245 289 HG2 PRO 38 HG2 PRO 38 9.668 6.253 10.085 290 HG3 PRO 38 HG3 PRO 38 9.366 7.726 9.145 291 HD2 PRO 38 HD2 PRO 38 8.125 5.032 8.891 292 HD3 PRO 38 HD3 PRO 38 7.414 6.630 8.622 293 H PHE 39 HN PHE 39 10.008 3.708 7.062 294 HA PHE 39 HA PHE 39 12.257 3.148 5.381 295 HB2 PHE 39 HB2 PHE 39 11.687 1.620 7.192 296 HB3 PHE 39 HB3 PHE 39 10.128 1.274 6.438 297 HD1 PHE 39 HD1 PHE 39 13.790 1.026 5.903 298 HD2 PHE 39 HD2 PHE 39 9.930 -0.396 4.817 299 HE1 PHE 39 HE1 PHE 39 14.826 -0.748 4.549 300 HE2 PHE 39 HE2 PHE 39 10.958 -2.173 3.473 301 HZ PHE 39 HZ PHE 39 13.402 -2.343 3.329 302 H TYR 40 HN TYR 40 8.804 3.216 5.056 303 HA TYR 40 HA TYR 40 8.524 1.964 2.566 304 HB2 TYR 40 HB2 TYR 40 6.783 2.951 4.338 305 HB3 TYR 40 HB3 TYR 40 6.831 4.339 3.235 306 HD1 TYR 40 HD2 TYR 40 7.270 1.031 1.763 307 HD2 TYR 40 HD1 TYR 40 4.410 3.976 2.896 308 HE1 TYR 40 HE2 TYR 40 5.591 -0.069 0.350 309 HE2 TYR 40 HE1 TYR 40 2.715 2.871 1.503 310 HH TYR 40 HH TYR 40 3.087 1.153 -0.818 311 H GLU 41 HN GLU 41 9.454 5.204 3.508 312 HA GLU 41 HA GLU 41 9.273 6.443 0.973 313 HB2 GLU 41 HB2 GLU 41 11.226 7.154 3.159 314 HB3 GLU 41 HB3 GLU 41 10.593 8.212 1.904 315 HG2 GLU 41 HG2 GLU 41 8.302 7.440 3.039 316 HG3 GLU 41 HG3 GLU 41 9.381 7.326 4.430 317 H GLU 42 HN GLU 42 11.947 4.779 2.603 318 HA GLU 42 HA GLU 42 13.913 5.297 0.658 319 HB2 GLU 42 HB2 GLU 42 13.687 2.830 2.393 320 HB3 GLU 42 HB3 GLU 42 15.147 3.446 1.633 321 HG2 GLU 42 HG2 GLU 42 15.088 5.413 3.039 322 HG3 GLU 42 HG3 GLU 42 13.570 4.879 3.758 323 H CYS 43 HN CYS 43 11.608 2.675 1.055 324 HA CYS 43 HA CYS 43 12.347 1.051 -1.107 325 HB2 CYS 43 HB2 CYS 43 9.646 1.426 0.196 326 HB3 CYS 43 HB3 CYS 43 10.164 0.018 -0.702 327 HG CYS 43 HG CYS 43 10.771 -1.207 1.459 328 H SER 44 HN SER 44 10.215 3.838 -0.908 329 HA SER 44 HA SER 44 8.994 3.483 -3.436 330 HB2 SER 44 HB2 SER 44 8.105 5.716 -3.103 331 HB3 SER 44 HB3 SER 44 8.014 4.787 -1.603 332 HG SER 44 HG SER 44 9.886 5.866 -0.894 333 H LYS 45 HN LYS 45 12.050 4.975 -2.582 334 HA LYS 45 HA LYS 45 12.112 6.396 -5.120 335 HB2 LYS 45 HB2 LYS 45 14.530 6.971 -4.172 336 HB3 LYS 45 HB3 LYS 45 13.081 7.830 -3.685 337 HG2 LYS 45 HG2 LYS 45 12.979 6.693 -1.622 338 HG3 LYS 45 HG3 LYS 45 14.178 5.504 -2.133 339 HD2 LYS 45 HD2 LYS 45 15.653 7.684 -2.445 340 HD3 LYS 45 HD3 LYS 45 14.539 8.311 -1.229 341 HE2 LYS 45 HE2 LYS 45 15.462 5.670 -0.524 342 HE3 LYS 45 HE3 LYS 45 16.820 6.758 -0.800 343 HZ1 LYS 45 HZ1 LYS 45 15.483 6.578 1.507 344 HZ2 LYS 45 HZ2 LYS 45 14.668 7.870 0.782 345 HZ3 LYS 45 HZ3 LYS 45 16.340 7.952 1.018 346 H THR 46 HN THR 46 13.369 3.417 -3.897 347 HA THR 46 HA THR 46 15.287 3.231 -6.114 348 HB THR 46 HB THR 46 14.961 1.805 -3.503 349 HG1 THR 46 HG1 THR 46 16.487 3.531 -3.828 350 HG21 THR 46 HG21 THR 46 15.953 0.559 -6.019 351 HG22 THR 46 HG22 THR 46 16.833 0.234 -4.525 352 HG23 THR 46 HG23 THR 46 15.121 -0.168 -4.645 353 H TYR 47 HN TYR 47 12.394 1.913 -4.818 354 HA TYR 47 HA TYR 47 12.148 -0.193 -6.763 355 HB2 TYR 47 HB2 TYR 47 10.151 0.626 -4.653 356 HB3 TYR 47 HB3 TYR 47 10.220 -0.896 -5.518 357 HD1 TYR 47 HD2 TYR 47 13.349 -1.086 -5.270 358 HD2 TYR 47 HD1 TYR 47 10.201 -0.424 -2.512 359 HE1 TYR 47 HE2 TYR 47 14.746 -2.017 -3.472 360 HE2 TYR 47 HE1 TYR 47 11.583 -1.341 -0.679 361 HH TYR 47 HH TYR 47 14.028 -1.652 -0.210 362 H THR 48 HN THR 48 11.924 2.826 -7.369 363 HA THR 48 HA THR 48 9.392 3.666 -7.885 364 HB THR 48 HB THR 48 11.384 5.055 -8.073 365 HG1 THR 48 HG1 THR 48 10.616 6.212 -9.984 366 HG21 THR 48 HG21 THR 48 11.792 3.485 -10.603 367 HG22 THR 48 HG22 THR 48 12.502 5.081 -10.365 368 HG23 THR 48 HG23 THR 48 12.930 3.755 -9.284 369 H LYS 49 HN LYS 49 10.445 0.882 -9.327 370 HA LYS 49 HA LYS 49 9.245 1.330 -11.926 371 HB2 LYS 49 HB2 LYS 49 9.767 -1.434 -10.965 372 HB3 LYS 49 HB3 LYS 49 10.075 -0.712 -12.529 373 HG2 LYS 49 HG2 LYS 49 11.740 -0.420 -10.046 374 HG3 LYS 49 HG3 LYS 49 12.162 -1.275 -11.528 375 HD2 LYS 49 HD2 LYS 49 11.433 1.461 -12.090 376 HD3 LYS 49 HD3 LYS 49 12.728 1.385 -10.893 377 HE2 LYS 49 HE2 LYS 49 13.891 -0.231 -12.460 378 HE3 LYS 49 HE3 LYS 49 12.691 0.223 -13.669 379 HZ1 LYS 49 HZ1 LYS 49 14.408 2.201 -12.282 380 HZ2 LYS 49 HZ2 LYS 49 13.455 2.442 -13.658 381 HZ3 LYS 49 HZ3 LYS 49 14.840 1.477 -13.749 382 H MET 50 HN MET 50 8.008 1.177 -9.007 383 HA MET 50 HA MET 50 5.441 -0.159 -9.717 384 HB2 MET 50 HB2 MET 50 7.391 -0.712 -7.616 385 HB3 MET 50 HB3 MET 50 5.839 -0.332 -6.931 386 HG2 MET 50 HG2 MET 50 6.491 -2.777 -7.454 387 HG3 MET 50 HG3 MET 50 4.863 -2.215 -7.802 388 HE1 MET 50 HE1 MET 50 8.333 -1.949 -9.343 389 HE2 MET 50 HE2 MET 50 8.160 -2.556 -10.988 390 HE3 MET 50 HE3 MET 50 8.230 -3.684 -9.636 391 H VAL 51 HN VAL 51 3.588 0.898 -8.767 392 HA VAL 51 HA VAL 51 4.196 3.684 -8.052 393 HB VAL 51 HB VAL 51 1.406 3.434 -8.021 394 HG11 VAL 51 HG11 VAL 51 1.651 4.721 -10.203 395 HG12 VAL 51 HG12 VAL 51 2.402 5.403 -8.761 396 HG13 VAL 51 HG13 VAL 51 3.390 4.562 -9.956 397 HG21 VAL 51 HG21 VAL 51 1.165 2.644 -10.477 398 HG22 VAL 51 HG22 VAL 51 2.639 1.741 -10.140 399 HG23 VAL 51 HG23 VAL 51 1.197 1.472 -9.170 400 H PHE 52 HN PHE 52 4.044 4.479 -6.103 401 HA PHE 52 HA PHE 52 2.996 2.725 -4.010 402 HB2 PHE 52 HB2 PHE 52 5.077 4.898 -4.007 403 HB3 PHE 52 HB3 PHE 52 4.356 4.349 -2.509 404 HD1 PHE 52 HD2 PHE 52 5.783 2.868 -5.551 405 HD2 PHE 52 HD1 PHE 52 5.624 2.792 -1.328 406 HE1 PHE 52 HE2 PHE 52 7.448 1.052 -5.551 407 HE2 PHE 52 HE1 PHE 52 7.293 0.976 -1.288 408 HZ PHE 52 HZ PHE 52 8.215 0.101 -3.412 409 H ILE 53 HN ILE 53 1.084 3.211 -3.182 410 HA ILE 53 HA ILE 53 0.441 6.052 -2.718 411 HB ILE 53 HB ILE 53 -1.939 5.647 -3.272 412 HG12 ILE 53 HG12 ILE 53 -1.491 3.405 -5.048 413 HG13 ILE 53 HG13 ILE 53 -1.175 2.959 -3.374 414 HG21 ILE 53 HG21 ILE 53 0.082 6.376 -4.897 415 HG22 ILE 53 HG22 ILE 53 -0.583 5.018 -5.805 416 HG23 ILE 53 HG23 ILE 53 -1.616 6.380 -5.372 417 HD11 ILE 53 HD11 ILE 53 -3.703 3.736 -4.700 418 HD12 ILE 53 HD12 ILE 53 -3.395 2.506 -3.475 419 HD13 ILE 53 HD13 ILE 53 -3.485 4.205 -3.014 420 H LYS 54 HN LYS 54 -1.171 6.377 -1.027 421 HA LYS 54 HA LYS 54 -1.332 4.117 0.884 422 HB2 LYS 54 HB2 LYS 54 -0.436 6.946 1.321 423 HB3 LYS 54 HB3 LYS 54 -1.411 6.207 2.576 424 HG2 LYS 54 HG2 LYS 54 0.206 4.574 3.032 425 HG3 LYS 54 HG3 LYS 54 1.063 4.881 1.523 426 HD2 LYS 54 HD2 LYS 54 2.407 6.242 2.647 427 HD3 LYS 54 HD3 LYS 54 1.038 7.335 2.844 428 HE2 LYS 54 HE2 LYS 54 0.705 6.739 5.006 429 HE3 LYS 54 HE3 LYS 54 1.188 5.066 4.730 430 HZ1 LYS 54 HZ1 LYS 54 3.361 5.530 5.119 431 HZ2 LYS 54 HZ2 LYS 54 2.680 6.735 6.091 432 HZ3 LYS 54 HZ3 LYS 54 3.260 7.120 4.549 433 H VAL 55 HN VAL 55 -3.317 3.689 1.647 434 HA VAL 55 HA VAL 55 -5.386 5.736 1.299 435 HB VAL 55 HB VAL 55 -5.624 2.827 0.524 436 HG11 VAL 55 HG11 VAL 55 -7.691 4.240 1.543 437 HG12 VAL 55 HG12 VAL 55 -7.829 4.650 -0.168 438 HG13 VAL 55 HG13 VAL 55 -7.868 2.961 0.338 439 HG21 VAL 55 HG21 VAL 55 -4.730 5.047 -0.927 440 HG22 VAL 55 HG22 VAL 55 -5.092 3.431 -1.531 441 HG23 VAL 55 HG23 VAL 55 -6.343 4.674 -1.534 442 H ASP 56 HN ASP 56 -6.246 6.201 3.152 443 HA ASP 56 HA ASP 56 -6.001 4.465 5.434 444 HB2 ASP 56 HB2 ASP 56 -6.603 6.340 6.717 445 HB3 ASP 56 HB3 ASP 56 -5.765 7.046 5.345 446 H VAL 57 HN VAL 57 -7.718 3.677 6.705 447 HA VAL 57 HA VAL 57 -9.964 2.817 5.118 448 HB VAL 57 HB VAL 57 -10.423 1.228 6.765 449 HG11 VAL 57 HG11 VAL 57 -8.531 0.226 6.125 450 HG12 VAL 57 HG12 VAL 57 -7.591 1.713 6.238 451 HG13 VAL 57 HG13 VAL 57 -7.890 0.749 7.684 452 HG21 VAL 57 HG21 VAL 57 -9.161 1.487 9.068 453 HG22 VAL 57 HG22 VAL 57 -9.230 3.198 8.644 454 HG23 VAL 57 HG23 VAL 57 -10.718 2.262 8.778 455 H ASP 58 HN ASP 58 -9.324 5.276 7.420 456 HA ASP 58 HA ASP 58 -11.960 5.535 8.463 457 HB2 ASP 58 HB2 ASP 58 -9.891 7.716 8.456 458 HB3 ASP 58 HB3 ASP 58 -11.177 7.436 9.623 459 H GLU 59 HN GLU 59 -10.136 7.287 5.987 460 HA GLU 59 HA GLU 59 -12.178 9.189 5.478 461 HB2 GLU 59 HB2 GLU 59 -9.634 9.274 4.937 462 HB3 GLU 59 HB3 GLU 59 -10.095 8.451 3.453 463 HG2 GLU 59 HG2 GLU 59 -11.180 10.266 2.613 464 HG3 GLU 59 HG3 GLU 59 -11.592 10.898 4.207 465 H VAL 60 HN VAL 60 -11.243 6.162 3.859 466 HA VAL 60 HA VAL 60 -13.820 6.292 2.440 467 HB VAL 60 HB VAL 60 -12.432 4.814 0.707 468 HG11 VAL 60 HG11 VAL 60 -13.452 6.533 -0.332 469 HG12 VAL 60 HG12 VAL 60 -13.025 7.688 0.931 470 HG13 VAL 60 HG13 VAL 60 -11.839 7.245 -0.297 471 HG21 VAL 60 HG21 VAL 60 -10.387 6.658 1.938 472 HG22 VAL 60 HG22 VAL 60 -10.321 4.898 1.854 473 HG23 VAL 60 HG23 VAL 60 -10.194 5.858 0.379 474 H SER 61 HN SER 61 -14.639 4.999 4.194 475 HA SER 61 HA SER 61 -13.643 2.487 4.929 476 HB2 SER 61 HB2 SER 61 -16.151 3.977 5.272 477 HB3 SER 61 HB3 SER 61 -16.366 2.227 5.250 478 HG SER 61 HG SER 61 -15.942 2.946 7.353 479 H GLU 62 HN GLU 62 -15.630 3.517 2.250 480 HA GLU 62 HA GLU 62 -16.608 1.041 1.396 481 HB2 GLU 62 HB2 GLU 62 -15.923 3.549 -0.137 482 HB3 GLU 62 HB3 GLU 62 -16.691 2.153 -0.881 483 HG2 GLU 62 HG2 GLU 62 -18.222 2.692 1.379 484 HG3 GLU 62 HG3 GLU 62 -17.846 4.271 0.691 485 H VAL 63 HN VAL 63 -13.467 2.509 1.090 486 HA VAL 63 HA VAL 63 -12.480 0.859 -0.999 487 HB VAL 63 HB VAL 63 -11.059 2.448 1.141 488 HG11 VAL 63 HG11 VAL 63 -9.218 2.005 -0.864 489 HG12 VAL 63 HG12 VAL 63 -9.243 1.226 0.718 490 HG13 VAL 63 HG13 VAL 63 -9.998 0.436 -0.666 491 HG21 VAL 63 HG21 VAL 63 -12.396 3.427 -0.935 492 HG22 VAL 63 HG22 VAL 63 -10.899 4.153 -0.354 493 HG23 VAL 63 HG23 VAL 63 -10.872 3.080 -1.753 494 H THR 64 HN THR 64 -12.539 0.640 2.489 495 HA THR 64 HA THR 64 -10.872 -1.597 2.790 496 HB THR 64 HB THR 64 -13.200 -0.679 4.490 497 HG1 THR 64 HG1 THR 64 -11.835 0.865 4.948 498 HG21 THR 64 HG21 THR 64 -10.880 -2.357 5.420 499 HG22 THR 64 HG22 THR 64 -12.413 -2.050 6.237 500 HG23 THR 64 HG23 THR 64 -12.365 -3.088 4.812 501 H GLU 65 HN GLU 65 -14.374 -1.284 2.373 502 HA GLU 65 HA GLU 65 -14.915 -4.077 2.484 503 HB2 GLU 65 HB2 GLU 65 -16.625 -2.396 2.989 504 HB3 GLU 65 HB3 GLU 65 -16.561 -1.820 1.329 505 HG2 GLU 65 HG2 GLU 65 -17.972 -3.385 0.640 506 HG3 GLU 65 HG3 GLU 65 -17.057 -4.663 1.438 507 H LYS 66 HN LYS 66 -14.347 -1.794 -0.152 508 HA LYS 66 HA LYS 66 -15.077 -3.404 -2.306 509 HB2 LYS 66 HB2 LYS 66 -12.988 -1.239 -2.081 510 HB3 LYS 66 HB3 LYS 66 -13.419 -1.999 -3.606 511 HG2 LYS 66 HG2 LYS 66 -15.631 -0.900 -1.987 512 HG3 LYS 66 HG3 LYS 66 -14.531 0.257 -2.743 513 HD2 LYS 66 HD2 LYS 66 -15.253 -1.826 -4.602 514 HD3 LYS 66 HD3 LYS 66 -16.698 -1.069 -3.930 515 HE2 LYS 66 HE2 LYS 66 -14.648 0.866 -4.650 516 HE3 LYS 66 HE3 LYS 66 -15.168 -0.112 -6.021 517 HZ1 LYS 66 HZ1 LYS 66 -16.706 1.548 -6.084 518 HZ2 LYS 66 HZ2 LYS 66 -16.700 1.795 -4.411 519 HZ3 LYS 66 HZ3 LYS 66 -17.521 0.469 -5.065 520 H GLU 67 HN GLU 67 -12.016 -3.199 -0.564 521 HA GLU 67 HA GLU 67 -10.865 -5.256 -2.289 522 HB2 GLU 67 HB2 GLU 67 -9.725 -3.410 -0.213 523 HB3 GLU 67 HB3 GLU 67 -8.808 -4.786 -0.809 524 HG2 GLU 67 HG2 GLU 67 -9.952 -2.633 -2.569 525 HG3 GLU 67 HG3 GLU 67 -8.305 -2.633 -1.943 526 H ASN 68 HN ASN 68 -12.942 -5.556 0.049 527 HA ASN 68 HA ASN 68 -13.409 -7.071 1.690 528 HB2 ASN 68 HB2 ASN 68 -12.736 -8.470 -0.462 529 HB3 ASN 68 HB3 ASN 68 -11.393 -8.964 0.564 530 HD21 ASN 68 HD21 ASN 68 -14.818 -9.090 0.062 531 HD22 ASN 68 HD22 ASN 68 -15.151 -10.330 1.217 532 H ILE 69 HN ILE 69 -11.470 -5.187 2.377 533 HA ILE 69 HA ILE 69 -9.209 -6.409 3.637 534 HB ILE 69 HB ILE 69 -10.415 -3.676 4.070 535 HG12 ILE 69 HG12 ILE 69 -9.586 -4.334 1.696 536 HG13 ILE 69 HG13 ILE 69 -9.025 -2.822 2.396 537 HG21 ILE 69 HG21 ILE 69 -7.998 -5.016 5.109 538 HG22 ILE 69 HG22 ILE 69 -7.851 -3.319 4.650 539 HG23 ILE 69 HG23 ILE 69 -9.043 -3.808 5.855 540 HD11 ILE 69 HD11 ILE 69 -6.894 -3.608 2.729 541 HD12 ILE 69 HD12 ILE 69 -7.402 -5.296 2.737 542 HD13 ILE 69 HD13 ILE 69 -7.347 -4.401 1.218 543 H THR 70 HN THR 70 -9.059 -7.299 5.626 544 HA THR 70 HA THR 70 -11.415 -7.064 7.366 545 HB THR 70 HB THR 70 -10.612 -9.196 8.377 546 HG1 THR 70 HG1 THR 70 -8.915 -9.365 6.106 547 HG21 THR 70 HG21 THR 70 -10.898 -9.818 5.504 548 HG22 THR 70 HG22 THR 70 -11.813 -10.415 6.888 549 HG23 THR 70 HG23 THR 70 -12.165 -8.822 6.219 550 H SER 71 HN SER 71 -7.850 -6.997 7.436 551 HA SER 71 HA SER 71 -8.045 -5.584 10.007 552 HB2 SER 71 HB2 SER 71 -6.154 -6.958 10.909 553 HB3 SER 71 HB3 SER 71 -7.658 -7.850 10.680 554 HG SER 71 HG SER 71 -5.620 -7.792 8.720 555 H MET 72 HN MET 72 -6.423 -4.170 10.509 556 HA MET 72 HA MET 72 -4.417 -3.600 8.413 557 HB2 MET 72 HB2 MET 72 -4.956 -1.405 8.451 558 HB3 MET 72 HB3 MET 72 -6.451 -1.941 9.192 559 HG2 MET 72 HG2 MET 72 -5.887 -0.332 10.666 560 HG3 MET 72 HG3 MET 72 -5.041 -1.684 11.405 561 HE1 MET 72 HE1 MET 72 -3.446 -1.051 12.613 562 HE2 MET 72 HE2 MET 72 -3.164 0.690 12.618 563 HE3 MET 72 HE3 MET 72 -1.882 -0.410 12.111 564 HA PRO 73 HA PRO 73 -2.834 -1.724 8.460 565 HB2 PRO 73 HB2 PRO 73 -0.165 -1.874 8.165 566 HB3 PRO 73 HB3 PRO 73 -0.896 -0.800 9.366 567 HG2 PRO 73 HG2 PRO 73 0.286 -3.528 9.738 568 HG3 PRO 73 HG3 PRO 73 0.524 -2.067 10.716 569 HD2 PRO 73 HD2 PRO 73 -1.197 -4.045 11.420 570 HD3 PRO 73 HD3 PRO 73 -1.470 -2.341 11.835 571 H THR 74 HN THR 74 -3.007 -2.437 6.401 572 HA THR 74 HA THR 74 -1.894 -5.093 5.779 573 HB THR 74 HB THR 74 -4.089 -4.304 4.039 574 HG1 THR 74 HG1 THR 74 -5.432 -5.045 6.145 575 HG21 THR 74 HG21 THR 74 -2.869 -6.608 4.668 576 HG22 THR 74 HG22 THR 74 -4.231 -6.693 5.786 577 HG23 THR 74 HG23 THR 74 -4.520 -6.537 4.053 578 H PHE 75 HN PHE 75 -0.466 -5.156 4.188 579 HA PHE 75 HA PHE 75 -0.344 -2.921 2.256 580 HB2 PHE 75 HB2 PHE 75 1.863 -4.772 3.182 581 HB3 PHE 75 HB3 PHE 75 2.022 -3.651 1.846 582 HD1 PHE 75 HD1 PHE 75 0.035 -1.961 4.110 583 HD2 PHE 75 HD2 PHE 75 4.063 -3.268 3.599 584 HE1 PHE 75 HE1 PHE 75 0.800 -0.224 5.672 585 HE2 PHE 75 HE2 PHE 75 4.820 -1.535 5.177 586 HZ PHE 75 HZ PHE 75 3.193 -0.015 6.207 587 H LYS 76 HN LYS 76 -1.172 -3.460 0.355 588 HA LYS 76 HA LYS 76 -0.874 -6.258 -0.528 589 HB2 LYS 76 HB2 LYS 76 -3.217 -5.690 0.024 590 HB3 LYS 76 HB3 LYS 76 -3.161 -4.377 -1.137 591 HG2 LYS 76 HG2 LYS 76 -3.464 -5.743 -2.871 592 HG3 LYS 76 HG3 LYS 76 -2.384 -6.970 -2.228 593 HD2 LYS 76 HD2 LYS 76 -4.862 -7.563 -2.488 594 HD3 LYS 76 HD3 LYS 76 -4.067 -7.965 -0.971 595 HE2 LYS 76 HE2 LYS 76 -5.075 -6.116 0.143 596 HE3 LYS 76 HE3 LYS 76 -5.659 -5.440 -1.376 597 HZ1 LYS 76 HZ1 LYS 76 -6.616 -7.863 0.030 598 HZ2 LYS 76 HZ2 LYS 76 -7.003 -7.547 -1.586 599 HZ3 LYS 76 HZ3 LYS 76 -7.494 -6.474 -0.374 600 H VAL 77 HN VAL 77 -0.311 -6.650 -2.620 601 HA VAL 77 HA VAL 77 0.498 -4.297 -4.186 602 HB VAL 77 HB VAL 77 1.517 -7.145 -4.311 603 HG11 VAL 77 HG11 VAL 77 2.418 -4.758 -5.925 604 HG12 VAL 77 HG12 VAL 77 3.039 -6.406 -6.030 605 HG13 VAL 77 HG13 VAL 77 1.389 -6.053 -6.541 606 HG21 VAL 77 HG21 VAL 77 2.878 -4.576 -3.513 607 HG22 VAL 77 HG22 VAL 77 2.347 -5.845 -2.409 608 HG23 VAL 77 HG23 VAL 77 3.629 -6.170 -3.576 609 H TYR 78 HN TYR 78 -0.377 -4.008 -6.179 610 HA TYR 78 HA TYR 78 -2.388 -5.994 -6.966 611 HB2 TYR 78 HB2 TYR 78 -2.315 -3.045 -7.527 612 HB3 TYR 78 HB3 TYR 78 -3.581 -4.132 -8.032 613 HD1 TYR 78 HD2 TYR 78 -4.140 -5.742 -5.750 614 HD2 TYR 78 HD1 TYR 78 -3.146 -1.620 -5.885 615 HE1 TYR 78 HE2 TYR 78 -5.287 -5.412 -3.600 616 HE2 TYR 78 HE1 TYR 78 -4.309 -1.269 -3.745 617 HH TYR 78 HH TYR 78 -6.462 -3.059 -2.509 618 H LYS 79 HN LYS 79 -2.148 -7.034 -8.798 619 HA LYS 79 HA LYS 79 -0.311 -5.936 -10.825 620 HB2 LYS 79 HB2 LYS 79 0.635 -7.942 -9.865 621 HB3 LYS 79 HB3 LYS 79 -0.884 -8.807 -10.056 622 HG2 LYS 79 HG2 LYS 79 -0.130 -9.560 -11.990 623 HG3 LYS 79 HG3 LYS 79 -0.234 -7.915 -12.612 624 HD2 LYS 79 HD2 LYS 79 2.163 -8.282 -11.043 625 HD3 LYS 79 HD3 LYS 79 2.066 -9.473 -12.341 626 HE2 LYS 79 HE2 LYS 79 2.896 -7.883 -13.667 627 HE3 LYS 79 HE3 LYS 79 1.304 -7.131 -13.576 628 HZ1 LYS 79 HZ1 LYS 79 2.022 -5.570 -12.102 629 HZ2 LYS 79 HZ2 LYS 79 3.462 -5.814 -12.954 630 HZ3 LYS 79 HZ3 LYS 79 3.236 -6.554 -11.451 631 H ASN 80 HN ASN 80 -1.203 -5.408 -12.633 632 HA ASN 80 HA ASN 80 -2.698 -5.149 -14.323 633 HB2 ASN 80 HB2 ASN 80 -2.809 -8.034 -13.683 634 HB3 ASN 80 HB3 ASN 80 -4.168 -7.407 -14.607 635 HD21 ASN 80 HD21 ASN 80 -1.022 -8.570 -14.775 636 HD22 ASN 80 HD22 ASN 80 -0.673 -8.116 -16.403 637 H GLY 81 HN GLY 81 -3.468 -4.304 -11.688 638 HA2 GLY 81 HA2 GLY 81 -5.333 -3.262 -10.843 639 HA3 GLY 81 HA3 GLY 81 -6.252 -3.895 -12.192 640 H SER 82 HN SER 82 -4.473 -5.880 -9.828 641 HA SER 82 HA SER 82 -6.831 -6.383 -8.297 642 HB2 SER 82 HB2 SER 82 -6.603 -7.883 -10.646 643 HB3 SER 82 HB3 SER 82 -6.078 -8.979 -9.368 644 HG SER 82 HG SER 82 -8.034 -8.570 -8.295 645 H SER 83 HN SER 83 -6.429 -8.580 -6.980 646 HA SER 83 HA SER 83 -4.177 -8.019 -5.366 647 HB2 SER 83 HB2 SER 83 -5.013 -10.452 -4.488 648 HB3 SER 83 HB3 SER 83 -5.691 -8.909 -3.978 649 HG SER 83 HG SER 83 -6.746 -10.852 -5.646 650 H VAL 84 HN VAL 84 -2.236 -8.882 -5.185 651 HA VAL 84 HA VAL 84 -1.609 -11.233 -6.827 652 HB VAL 84 HB VAL 84 -0.769 -8.951 -7.704 653 HG11 VAL 84 HG11 VAL 84 1.258 -8.090 -6.862 654 HG12 VAL 84 HG12 VAL 84 0.130 -8.204 -5.516 655 HG13 VAL 84 HG13 VAL 84 1.407 -9.405 -5.693 656 HG21 VAL 84 HG21 VAL 84 0.751 -11.493 -7.453 657 HG22 VAL 84 HG22 VAL 84 0.036 -10.740 -8.878 658 HG23 VAL 84 HG23 VAL 84 1.537 -10.105 -8.205 659 H ASP 85 HN ASP 85 -0.722 -9.267 -4.009 660 HA ASP 85 HA ASP 85 -0.146 -11.660 -2.510 661 HB2 ASP 85 HB2 ASP 85 2.004 -10.458 -3.749 662 HB3 ASP 85 HB3 ASP 85 2.039 -9.749 -2.137 663 H THR 86 HN THR 86 0.437 -11.020 -0.154 664 HA THR 86 HA THR 86 -0.670 -8.427 0.605 665 HB THR 86 HB THR 86 -1.976 -9.776 2.437 666 HG1 THR 86 HG1 THR 86 -2.598 -11.791 1.806 667 HG21 THR 86 HG21 THR 86 -3.060 -9.674 -0.371 668 HG22 THR 86 HG22 THR 86 -3.974 -9.600 1.135 669 HG23 THR 86 HG23 THR 86 -2.917 -8.264 0.678 670 H LEU 87 HN LEU 87 0.053 -7.645 2.572 671 HA LEU 87 HA LEU 87 1.842 -9.394 4.111 672 HB2 LEU 87 HB2 LEU 87 3.554 -8.165 3.398 673 HB3 LEU 87 HB3 LEU 87 2.487 -7.029 2.610 674 HG LEU 87 HG LEU 87 2.266 -5.802 4.756 675 HD11 LEU 87 HD11 LEU 87 2.780 -6.927 6.601 676 HD12 LEU 87 HD12 LEU 87 3.756 -8.104 5.721 677 HD13 LEU 87 HD13 LEU 87 4.459 -6.560 6.203 678 HD21 LEU 87 HD21 LEU 87 3.862 -5.130 3.047 679 HD22 LEU 87 HD22 LEU 87 4.485 -4.808 4.666 680 HD23 LEU 87 HD23 LEU 87 5.076 -6.197 3.754 681 H LEU 88 HN LEU 88 1.198 -9.559 6.145 682 HA LEU 88 HA LEU 88 -0.690 -7.619 7.229 683 HB2 LEU 88 HB2 LEU 88 -0.114 -10.437 7.652 684 HB3 LEU 88 HB3 LEU 88 -0.247 -9.566 9.168 685 HG LEU 88 HG LEU 88 -2.346 -9.666 7.000 686 HD11 LEU 88 HD11 LEU 88 -3.575 -11.093 8.395 687 HD12 LEU 88 HD12 LEU 88 -1.933 -11.734 8.428 688 HD13 LEU 88 HD13 LEU 88 -2.533 -10.777 9.782 689 HD21 LEU 88 HD21 LEU 88 -2.633 -7.577 7.979 690 HD22 LEU 88 HD22 LEU 88 -3.715 -8.612 8.912 691 HD23 LEU 88 HD23 LEU 88 -2.147 -8.149 9.575 692 H GLY 89 HN GLY 89 -0.315 -6.299 8.952 693 HA2 GLY 89 HA2 GLY 89 0.866 -5.175 10.587 694 HA3 GLY 89 HA3 GLY 89 1.923 -6.578 10.701 695 H ALA 90 HN ALA 90 2.150 -3.415 10.255 696 HA ALA 90 HA ALA 90 3.762 -3.398 7.857 697 HB1 ALA 90 HB1 ALA 90 4.224 -0.986 8.973 698 HB2 ALA 90 HB2 ALA 90 2.846 -1.358 7.939 699 HB3 ALA 90 HB3 ALA 90 2.666 -1.392 9.693 700 H ASN 91 HN ASN 91 5.658 -4.320 7.935 701 HA ASN 91 HA ASN 91 7.502 -3.583 10.100 702 HB2 ASN 91 HB2 ASN 91 6.636 -6.095 9.866 703 HB3 ASN 91 HB3 ASN 91 7.901 -6.166 8.653 704 HD21 ASN 91 HD21 ASN 91 7.631 -7.471 11.272 705 HD22 ASN 91 HD22 ASN 91 9.078 -7.041 12.155 706 H ASP 92 HN ASP 92 9.492 -2.796 9.403 707 HA ASP 92 HA ASP 92 9.637 -1.841 6.747 708 HB2 ASP 92 HB2 ASP 92 11.947 -2.182 8.675 709 HB3 ASP 92 HB3 ASP 92 11.838 -1.047 7.335 710 H SER 93 HN SER 93 11.210 -4.559 8.382 711 HA SER 93 HA SER 93 12.790 -5.386 6.179 712 HB2 SER 93 HB2 SER 93 11.935 -7.111 8.488 713 HB3 SER 93 HB3 SER 93 13.403 -7.227 7.526 714 HG SER 93 HG SER 93 14.304 -5.766 8.740 715 H ALA 94 HN ALA 94 9.615 -6.353 7.352 716 HA ALA 94 HA ALA 94 9.376 -8.670 5.731 717 HB1 ALA 94 HB1 ALA 94 7.105 -8.755 6.421 718 HB2 ALA 94 HB2 ALA 94 8.031 -8.161 7.799 719 HB3 ALA 94 HB3 ALA 94 7.093 -7.037 6.817 720 H LEU 95 HN LEU 95 8.311 -5.350 5.352 721 HA LEU 95 HA LEU 95 7.050 -5.818 2.855 722 HB2 LEU 95 HB2 LEU 95 6.249 -3.910 3.836 723 HB3 LEU 95 HB3 LEU 95 7.814 -3.464 4.490 724 HG LEU 95 HG LEU 95 8.238 -3.231 1.805 725 HD11 LEU 95 HD11 LEU 95 5.400 -2.487 2.357 726 HD12 LEU 95 HD12 LEU 95 6.317 -1.943 0.948 727 HD13 LEU 95 HD13 LEU 95 6.018 -3.670 1.197 728 HD21 LEU 95 HD21 LEU 95 7.172 -0.833 3.126 729 HD22 LEU 95 HD22 LEU 95 8.488 -1.669 3.963 730 HD23 LEU 95 HD23 LEU 95 8.717 -1.099 2.300 731 H LYS 96 HN LYS 96 10.278 -5.045 3.965 732 HA LYS 96 HA LYS 96 11.400 -4.091 1.602 733 HB2 LYS 96 HB2 LYS 96 12.616 -4.119 3.739 734 HB3 LYS 96 HB3 LYS 96 12.660 -5.875 3.702 735 HG2 LYS 96 HG2 LYS 96 14.793 -4.888 3.036 736 HG3 LYS 96 HG3 LYS 96 14.069 -5.835 1.735 737 HD2 LYS 96 HD2 LYS 96 14.141 -4.069 0.388 738 HD3 LYS 96 HD3 LYS 96 13.147 -3.147 1.516 739 HE2 LYS 96 HE2 LYS 96 14.926 -1.813 1.738 740 HE3 LYS 96 HE3 LYS 96 15.619 -3.109 2.712 741 HZ1 LYS 96 HZ1 LYS 96 16.747 -3.960 0.802 742 HZ2 LYS 96 HZ2 LYS 96 17.095 -2.309 0.920 743 HZ3 LYS 96 HZ3 LYS 96 15.977 -2.856 -0.225 744 H GLN 97 HN GLN 97 10.947 -7.370 2.800 745 HA GLN 97 HA GLN 97 12.029 -8.641 0.492 746 HB2 GLN 97 HB2 GLN 97 10.621 -9.498 2.959 747 HB3 GLN 97 HB3 GLN 97 10.538 -10.588 1.582 748 HG2 GLN 97 HG2 GLN 97 12.388 -11.093 3.134 749 HG3 GLN 97 HG3 GLN 97 12.924 -10.753 1.489 750 HE21 GLN 97 HE21 GLN 97 13.409 -10.089 4.709 751 HE22 GLN 97 HE22 GLN 97 14.365 -8.658 4.552 752 H LEU 98 HN LEU 98 8.739 -7.686 1.496 753 HA LEU 98 HA LEU 98 7.389 -9.122 -0.540 754 HB2 LEU 98 HB2 LEU 98 6.164 -8.428 1.341 755 HB3 LEU 98 HB3 LEU 98 6.684 -6.762 1.157 756 HG LEU 98 HG LEU 98 5.366 -6.585 -0.901 757 HD11 LEU 98 HD11 LEU 98 3.801 -8.330 -1.515 758 HD12 LEU 98 HD12 LEU 98 5.449 -8.957 -1.537 759 HD13 LEU 98 HD13 LEU 98 4.378 -9.341 -0.190 760 HD21 LEU 98 HD21 LEU 98 3.221 -7.496 0.744 761 HD22 LEU 98 HD22 LEU 98 4.450 -6.727 1.744 762 HD23 LEU 98 HD23 LEU 98 3.734 -5.846 0.394 763 H ILE 99 HN ILE 99 8.361 -5.750 -0.269 764 HA ILE 99 HA ILE 99 7.485 -4.969 -2.842 765 HB ILE 99 HB ILE 99 7.946 -3.670 -0.576 766 HG12 ILE 99 HG12 ILE 99 6.751 -2.896 -2.590 767 HG13 ILE 99 HG13 ILE 99 7.697 -1.631 -1.808 768 HG21 ILE 99 HG21 ILE 99 9.880 -2.145 -0.881 769 HG22 ILE 99 HG22 ILE 99 10.306 -3.801 -0.459 770 HG23 ILE 99 HG23 ILE 99 10.484 -3.243 -2.125 771 HD11 ILE 99 HD11 ILE 99 7.748 -2.322 -4.474 772 HD12 ILE 99 HD12 ILE 99 8.925 -1.319 -3.629 773 HD13 ILE 99 HD13 ILE 99 9.211 -3.042 -3.807 774 H GLU 100 HN GLU 100 10.494 -6.163 -1.562 775 HA GLU 100 HA GLU 100 12.135 -5.438 -3.717 776 HB2 GLU 100 HB2 GLU 100 12.312 -7.231 -1.396 777 HB3 GLU 100 HB3 GLU 100 13.372 -7.633 -2.740 778 HG2 GLU 100 HG2 GLU 100 13.860 -5.017 -2.592 779 HG3 GLU 100 HG3 GLU 100 13.422 -5.315 -0.917 780 H LYS 101 HN LYS 101 10.095 -8.254 -3.229 781 HA LYS 101 HA LYS 101 11.248 -9.884 -5.202 782 HB2 LYS 101 HB2 LYS 101 8.985 -9.910 -3.439 783 HB3 LYS 101 HB3 LYS 101 8.533 -10.534 -5.016 784 HG2 LYS 101 HG2 LYS 101 10.290 -12.192 -4.910 785 HG3 LYS 101 HG3 LYS 101 10.862 -11.524 -3.380 786 HD2 LYS 101 HD2 LYS 101 8.013 -12.271 -3.454 787 HD3 LYS 101 HD3 LYS 101 9.153 -13.612 -3.582 788 HE2 LYS 101 HE2 LYS 101 9.814 -11.638 -1.515 789 HE3 LYS 101 HE3 LYS 101 8.300 -12.502 -1.245 790 HZ1 LYS 101 HZ1 LYS 101 10.670 -13.432 -0.495 791 HZ2 LYS 101 HZ2 LYS 101 10.573 -14.132 -2.031 792 HZ3 LYS 101 HZ3 LYS 101 9.366 -14.436 -0.886 793 H TYR 102 HN TYR 102 8.454 -7.699 -5.376 794 HA TYR 102 HA TYR 102 8.239 -8.276 -8.228 795 HB2 TYR 102 HB2 TYR 102 6.350 -6.381 -6.972 796 HB3 TYR 102 HB3 TYR 102 6.049 -7.677 -8.124 797 HD1 TYR 102 HD2 TYR 102 7.191 -9.971 -6.688 798 HD2 TYR 102 HD1 TYR 102 4.822 -6.746 -5.278 799 HE1 TYR 102 HE2 TYR 102 6.332 -11.410 -4.909 800 HE2 TYR 102 HE1 TYR 102 3.928 -8.182 -3.480 801 HH TYR 102 HH TYR 102 4.068 -10.186 -2.474 802 H ALA 103 HN ALA 103 9.392 -5.936 -6.075 803 HA ALA 103 HA ALA 103 9.447 -3.942 -8.238 804 HB1 ALA 103 HB1 ALA 103 10.069 -3.062 -5.518 805 HB2 ALA 103 HB2 ALA 103 9.031 -2.333 -6.746 806 HB3 ALA 103 HB3 ALA 103 8.428 -3.672 -5.762 807 H ALA 104 HN ALA 104 11.396 -5.607 -5.835 808 HA ALA 104 HA ALA 104 13.777 -4.312 -6.986 809 HB1 ALA 104 HB1 ALA 104 13.436 -4.337 -4.479 810 HB2 ALA 104 HB2 ALA 104 13.807 -6.060 -4.552 811 HB3 ALA 104 HB3 ALA 104 15.005 -4.877 -5.072 Start of MODEL 4 1 HA SER 1 HA SER 1 7.097 10.727 -2.552 2 HB2 SER 1 HB2 SER 1 6.916 10.946 -5.513 3 HB3 SER 1 HB3 SER 1 5.495 11.444 -4.592 4 HG SER 1 HG SER 1 6.713 13.239 -4.671 5 H VAL 2 HN VAL 2 5.711 9.585 -1.327 6 HA VAL 2 HA VAL 2 4.120 7.448 -2.462 7 HB VAL 2 HB VAL 2 3.910 8.570 0.350 8 HG11 VAL 2 HG11 VAL 2 3.503 5.724 -0.061 9 HG12 VAL 2 HG12 VAL 2 2.480 6.904 0.756 10 HG13 VAL 2 HG13 VAL 2 2.371 6.703 -0.992 11 HG21 VAL 2 HG21 VAL 2 6.084 7.135 -0.894 12 HG22 VAL 2 HG22 VAL 2 5.978 7.847 0.715 13 HG23 VAL 2 HG23 VAL 2 5.383 6.211 0.435 14 H LYS 3 HN LYS 3 1.925 7.518 -2.863 15 HA LYS 3 HA LYS 3 0.820 10.217 -3.071 16 HB2 LYS 3 HB2 LYS 3 0.813 7.984 -4.773 17 HB3 LYS 3 HB3 LYS 3 -0.853 8.202 -4.253 18 HG2 LYS 3 HG2 LYS 3 -0.247 10.726 -4.792 19 HG3 LYS 3 HG3 LYS 3 0.865 9.941 -5.898 20 HD2 LYS 3 HD2 LYS 3 -0.902 8.840 -7.042 21 HD3 LYS 3 HD3 LYS 3 -2.066 9.259 -5.783 22 HE2 LYS 3 HE2 LYS 3 -1.707 11.662 -6.368 23 HE3 LYS 3 HE3 LYS 3 -0.728 11.126 -7.732 24 HZ1 LYS 3 HZ1 LYS 3 -2.788 11.391 -8.682 25 HZ2 LYS 3 HZ2 LYS 3 -3.627 10.860 -7.314 26 HZ3 LYS 3 HZ3 LYS 3 -2.825 9.743 -8.298 27 H ILE 4 HN ILE 4 -1.003 10.886 -2.176 28 HA ILE 4 HA ILE 4 -2.380 9.022 -0.342 29 HB ILE 4 HB ILE 4 -1.238 10.761 0.925 30 HG12 ILE 4 HG12 ILE 4 -3.198 11.781 2.080 31 HG13 ILE 4 HG13 ILE 4 -4.227 11.208 0.772 32 HG21 ILE 4 HG21 ILE 4 -2.859 12.827 -0.539 33 HG22 ILE 4 HG22 ILE 4 -1.544 13.084 0.607 34 HG23 ILE 4 HG23 ILE 4 -1.206 12.406 -0.985 35 HD11 ILE 4 HD11 ILE 4 -4.403 9.724 2.645 36 HD12 ILE 4 HD12 ILE 4 -3.573 8.895 1.328 37 HD13 ILE 4 HD13 ILE 4 -2.652 9.519 2.697 38 H VAL 5 HN VAL 5 -4.223 8.450 -1.255 39 HA VAL 5 HA VAL 5 -5.733 10.449 -2.792 40 HB VAL 5 HB VAL 5 -5.365 8.822 -4.349 41 HG11 VAL 5 HG11 VAL 5 -5.481 6.331 -3.772 42 HG12 VAL 5 HG12 VAL 5 -4.084 7.244 -3.202 43 HG13 VAL 5 HG13 VAL 5 -5.395 6.848 -2.090 44 HG21 VAL 5 HG21 VAL 5 -7.343 7.425 -4.635 45 HG22 VAL 5 HG22 VAL 5 -7.820 7.750 -2.969 46 HG23 VAL 5 HG23 VAL 5 -7.772 9.064 -4.146 47 H THR 6 HN THR 6 -7.524 11.213 -1.906 48 HA THR 6 HA THR 6 -8.656 9.832 0.407 49 HB THR 6 HB THR 6 -8.149 12.105 0.865 50 HG1 THR 6 HG1 THR 6 -10.184 11.394 1.676 51 HG21 THR 6 HG21 THR 6 -9.465 13.882 -0.530 52 HG22 THR 6 HG22 THR 6 -7.951 13.224 -1.150 53 HG23 THR 6 HG23 THR 6 -9.491 12.617 -1.759 54 H SER 7 HN SER 7 -9.267 9.645 -2.776 55 HA SER 7 HA SER 7 -12.190 9.588 -2.397 56 HB2 SER 7 HB2 SER 7 -11.154 11.060 -4.248 57 HB3 SER 7 HB3 SER 7 -10.828 9.543 -5.087 58 HG SER 7 HG SER 7 -12.799 10.139 -5.792 59 H GLN 8 HN GLN 8 -13.372 7.786 -3.259 60 HA GLN 8 HA GLN 8 -12.055 5.314 -2.791 61 HB2 GLN 8 HB2 GLN 8 -14.234 5.114 -2.170 62 HB3 GLN 8 HB3 GLN 8 -14.808 6.211 -3.414 63 HG2 GLN 8 HG2 GLN 8 -15.594 3.884 -3.642 64 HG3 GLN 8 HG3 GLN 8 -14.765 4.509 -5.058 65 HE21 GLN 8 HE21 GLN 8 -12.821 3.681 -2.348 66 HE22 GLN 8 HE22 GLN 8 -12.191 2.211 -2.982 67 H SER 9 HN SER 9 -13.436 6.769 -5.730 68 HA SER 9 HA SER 9 -12.680 4.660 -7.452 69 HB2 SER 9 HB2 SER 9 -13.147 6.239 -9.278 70 HB3 SER 9 HB3 SER 9 -14.412 6.316 -8.052 71 HG SER 9 HG SER 9 -13.171 8.149 -7.187 72 H GLU 10 HN GLU 10 -11.048 7.572 -6.359 73 HA GLU 10 HA GLU 10 -8.933 7.567 -8.205 74 HB2 GLU 10 HB2 GLU 10 -9.175 8.607 -5.391 75 HB3 GLU 10 HB3 GLU 10 -7.697 8.793 -6.325 76 HG2 GLU 10 HG2 GLU 10 -10.262 9.680 -7.535 77 HG3 GLU 10 HG3 GLU 10 -9.536 10.667 -6.267 78 H PHE 11 HN PHE 11 -9.328 5.957 -5.075 79 HA PHE 11 HA PHE 11 -6.710 4.879 -4.921 80 HB2 PHE 11 HB2 PHE 11 -7.843 4.813 -2.891 81 HB3 PHE 11 HB3 PHE 11 -9.353 4.325 -3.634 82 HD1 PHE 11 HD1 PHE 11 -5.895 2.935 -3.382 83 HD2 PHE 11 HD2 PHE 11 -10.076 2.281 -3.019 84 HE1 PHE 11 HE1 PHE 11 -5.473 0.600 -2.736 85 HE2 PHE 11 HE2 PHE 11 -9.668 -0.050 -2.375 86 HZ PHE 11 HZ PHE 11 -7.369 -0.889 -2.223 87 H ASP 12 HN ASP 12 -9.784 3.501 -5.961 88 HA ASP 12 HA ASP 12 -8.709 1.018 -6.819 89 HB2 ASP 12 HB2 ASP 12 -11.274 2.476 -7.338 90 HB3 ASP 12 HB3 ASP 12 -10.940 0.937 -8.107 91 H SER 13 HN SER 13 -9.170 4.122 -8.350 92 HA SER 13 HA SER 13 -8.903 3.262 -11.028 93 HB2 SER 13 HB2 SER 13 -9.820 5.475 -10.401 94 HB3 SER 13 HB3 SER 13 -8.222 5.971 -9.860 95 HG SER 13 HG SER 13 -9.212 5.629 -12.438 96 H ILE 14 HN ILE 14 -6.598 4.431 -8.621 97 HA ILE 14 HA ILE 14 -4.351 4.508 -10.317 98 HB ILE 14 HB ILE 14 -4.552 3.945 -7.355 99 HG12 ILE 14 HG12 ILE 14 -3.403 6.468 -8.391 100 HG13 ILE 14 HG13 ILE 14 -5.122 6.243 -8.698 101 HG21 ILE 14 HG21 ILE 14 -2.086 4.654 -8.952 102 HG22 ILE 14 HG22 ILE 14 -2.174 4.411 -7.207 103 HG23 ILE 14 HG23 ILE 14 -2.452 3.057 -8.302 104 HD11 ILE 14 HD11 ILE 14 -5.185 5.639 -6.164 105 HD12 ILE 14 HD12 ILE 14 -3.681 6.558 -6.123 106 HD13 ILE 14 HD13 ILE 14 -5.166 7.321 -6.693 107 H ILE 15 HN ILE 15 -5.853 1.945 -8.504 108 HA ILE 15 HA ILE 15 -3.882 -0.027 -8.687 109 HB ILE 15 HB ILE 15 -6.851 -0.577 -8.686 110 HG12 ILE 15 HG12 ILE 15 -6.326 1.093 -6.983 111 HG13 ILE 15 HG13 ILE 15 -6.660 -0.446 -6.251 112 HG21 ILE 15 HG21 ILE 15 -4.504 -2.202 -8.466 113 HG22 ILE 15 HG22 ILE 15 -5.402 -2.253 -6.943 114 HG23 ILE 15 HG23 ILE 15 -6.197 -2.693 -8.462 115 HD11 ILE 15 HD11 ILE 15 -4.128 -0.797 -6.329 116 HD12 ILE 15 HD12 ILE 15 -4.074 0.957 -6.527 117 HD13 ILE 15 HD13 ILE 15 -4.823 0.257 -5.090 118 H SER 16 HN SER 16 -6.537 0.720 -10.917 119 HA SER 16 HA SER 16 -5.854 -1.452 -12.704 120 HB2 SER 16 HB2 SER 16 -8.160 0.115 -12.178 121 HB3 SER 16 HB3 SER 16 -7.766 0.296 -13.887 122 HG SER 16 HG SER 16 -9.086 -1.516 -13.558 123 H GLN 17 HN GLN 17 -5.168 1.947 -12.589 124 HA GLN 17 HA GLN 17 -4.600 2.182 -15.408 125 HB2 GLN 17 HB2 GLN 17 -4.936 3.963 -13.185 126 HB3 GLN 17 HB3 GLN 17 -3.523 4.404 -14.118 127 HG2 GLN 17 HG2 GLN 17 -5.854 5.384 -14.684 128 HG3 GLN 17 HG3 GLN 17 -4.742 4.938 -15.962 129 HE21 GLN 17 HE21 GLN 17 -7.705 4.180 -14.331 130 HE22 GLN 17 HE22 GLN 17 -8.296 3.041 -15.488 131 H ASN 18 HN ASN 18 -2.923 0.470 -13.417 132 HA ASN 18 HA ASN 18 -0.389 1.086 -14.670 133 HB2 ASN 18 HB2 ASN 18 -0.604 0.933 -11.659 134 HB3 ASN 18 HB3 ASN 18 0.849 1.248 -12.597 135 HD21 ASN 18 HD21 ASN 18 -2.298 2.523 -11.718 136 HD22 ASN 18 HD22 ASN 18 -1.903 4.185 -11.973 137 H GLU 19 HN GLU 19 1.181 -0.620 -14.479 138 HA GLU 19 HA GLU 19 -0.015 -3.214 -14.559 139 HB2 GLU 19 HB2 GLU 19 2.004 -2.349 -15.907 140 HB3 GLU 19 HB3 GLU 19 2.947 -2.695 -14.464 141 HG2 GLU 19 HG2 GLU 19 2.606 -4.982 -14.631 142 HG3 GLU 19 HG3 GLU 19 1.200 -4.793 -15.678 143 H LEU 20 HN LEU 20 2.313 -1.675 -12.314 144 HA LEU 20 HA LEU 20 1.479 -3.720 -10.381 145 HB2 LEU 20 HB2 LEU 20 3.936 -3.650 -11.488 146 HB3 LEU 20 HB3 LEU 20 4.183 -2.541 -10.161 147 HG LEU 20 HG LEU 20 4.287 -4.170 -8.638 148 HD11 LEU 20 HD11 LEU 20 2.189 -5.737 -10.144 149 HD12 LEU 20 HD12 LEU 20 2.905 -6.210 -8.606 150 HD13 LEU 20 HD13 LEU 20 1.926 -4.750 -8.704 151 HD21 LEU 20 HD21 LEU 20 5.876 -4.952 -10.245 152 HD22 LEU 20 HD22 LEU 20 5.047 -6.357 -9.581 153 HD23 LEU 20 HD23 LEU 20 4.619 -5.755 -11.179 154 H VAL 21 HN VAL 21 0.730 -2.910 -8.505 155 HA VAL 21 HA VAL 21 1.529 -0.169 -7.824 156 HB VAL 21 HB VAL 21 -1.361 -0.984 -7.557 157 HG11 VAL 21 HG11 VAL 21 -0.683 0.871 -6.187 158 HG12 VAL 21 HG12 VAL 21 0.078 1.664 -7.567 159 HG13 VAL 21 HG13 VAL 21 -1.674 1.469 -7.517 160 HG21 VAL 21 HG21 VAL 21 -1.670 0.504 -9.615 161 HG22 VAL 21 HG22 VAL 21 0.044 0.222 -9.923 162 HG23 VAL 21 HG23 VAL 21 -1.079 -1.137 -9.879 163 H ILE 22 HN ILE 22 2.125 0.096 -5.817 164 HA ILE 22 HA ILE 22 1.207 -1.957 -3.876 165 HB ILE 22 HB ILE 22 3.540 -2.177 -3.960 166 HG12 ILE 22 HG12 ILE 22 3.928 -0.391 -1.743 167 HG13 ILE 22 HG13 ILE 22 2.332 -1.124 -1.628 168 HG21 ILE 22 HG21 ILE 22 3.947 -0.107 -5.257 169 HG22 ILE 22 HG22 ILE 22 3.869 0.806 -3.750 170 HG23 ILE 22 HG23 ILE 22 5.138 -0.395 -3.990 171 HD11 ILE 22 HD11 ILE 22 4.595 -2.233 -0.679 172 HD12 ILE 22 HD12 ILE 22 3.157 -3.144 -1.142 173 HD13 ILE 22 HD13 ILE 22 4.503 -2.984 -2.272 174 H VAL 23 HN VAL 23 -0.075 -1.301 -2.354 175 HA VAL 23 HA VAL 23 -0.104 1.537 -1.620 176 HB VAL 23 HB VAL 23 -1.964 1.316 -3.095 177 HG11 VAL 23 HG11 VAL 23 -2.449 -1.236 -1.637 178 HG12 VAL 23 HG12 VAL 23 -3.785 -0.404 -2.433 179 HG13 VAL 23 HG13 VAL 23 -2.385 -0.922 -3.371 180 HG21 VAL 23 HG21 VAL 23 -3.482 2.338 -1.785 181 HG22 VAL 23 HG22 VAL 23 -3.533 1.005 -0.632 182 HG23 VAL 23 HG23 VAL 23 -2.236 2.194 -0.546 183 H ASP 24 HN ASP 24 -0.505 1.985 0.484 184 HA ASP 24 HA ASP 24 -0.542 -0.357 2.246 185 HB2 ASP 24 HB2 ASP 24 0.386 1.158 3.968 186 HB3 ASP 24 HB3 ASP 24 1.418 1.022 2.555 187 H PHE 25 HN PHE 25 -2.477 -0.803 3.005 188 HA PHE 25 HA PHE 25 -4.416 1.328 3.510 189 HB2 PHE 25 HB2 PHE 25 -4.602 -1.654 4.113 190 HB3 PHE 25 HB3 PHE 25 -5.938 -0.507 4.046 191 HD1 PHE 25 HD2 PHE 25 -3.361 -2.198 1.976 192 HD2 PHE 25 HD1 PHE 25 -7.034 -0.049 2.013 193 HE1 PHE 25 HE2 PHE 25 -3.662 -2.686 -0.416 194 HE2 PHE 25 HE1 PHE 25 -7.344 -0.533 -0.373 195 HZ PHE 25 HZ PHE 25 -5.650 -1.856 -1.617 196 H PHE 26 HN PHE 26 -3.979 2.453 5.338 197 HA PHE 26 HA PHE 26 -2.963 0.854 7.505 198 HB2 PHE 26 HB2 PHE 26 -1.214 2.599 7.990 199 HB3 PHE 26 HB3 PHE 26 -1.119 2.098 6.305 200 HD1 PHE 26 HD2 PHE 26 -2.625 3.594 4.660 201 HD2 PHE 26 HD1 PHE 26 -1.079 4.858 8.424 202 HE1 PHE 26 HE2 PHE 26 -2.874 5.937 3.954 203 HE2 PHE 26 HE1 PHE 26 -1.324 7.209 7.735 204 HZ PHE 26 HZ PHE 26 -2.203 7.751 5.493 205 H ALA 27 HN ALA 27 -2.987 3.051 9.921 206 HA ALA 27 HA ALA 27 -5.193 4.804 9.361 207 HB1 ALA 27 HB1 ALA 27 -6.446 2.826 10.045 208 HB2 ALA 27 HB2 ALA 27 -5.396 2.560 11.428 209 HB3 ALA 27 HB3 ALA 27 -6.498 3.961 11.402 210 H GLU 28 HN GLU 28 -5.032 6.603 10.468 211 HA GLU 28 HA GLU 28 -2.678 7.857 11.199 212 HB2 GLU 28 HB2 GLU 28 -5.089 8.643 12.753 213 HB3 GLU 28 HB3 GLU 28 -3.998 9.555 11.742 214 HG2 GLU 28 HG2 GLU 28 -5.067 8.350 9.776 215 HG3 GLU 28 HG3 GLU 28 -6.305 7.844 10.928 216 H TRP 29 HN TRP 29 -3.856 5.362 14.127 217 HA TRP 29 HA TRP 29 -2.754 7.608 16.299 218 HB2 TRP 29 HB2 TRP 29 -4.615 6.061 17.576 219 HB3 TRP 29 HB3 TRP 29 -5.149 7.363 16.554 220 HD1 TRP 29 HD1 TRP 29 -7.510 6.570 14.626 221 HE1 TRP 29 HE1 TRP 29 -8.380 4.241 14.135 222 HE3 TRP 29 HE3 TRP 29 -4.402 3.531 17.716 223 HZ2 TRP 29 HZ2 TRP 29 -8.029 1.605 14.885 224 HZ3 TRP 29 HZ3 TRP 29 -4.881 1.130 17.717 225 HH2 TRP 29 HH2 TRP 29 -6.678 0.194 16.363 226 H CYS 30 HN CYS 30 -1.543 4.516 14.387 227 HA CYS 30 HA CYS 30 -0.703 3.412 16.985 228 HB2 CYS 30 HB2 CYS 30 0.126 1.701 14.958 229 HB3 CYS 30 HB3 CYS 30 -1.323 1.512 15.939 230 H GLY 31 HN GLY 31 1.496 2.790 17.267 231 HA2 GLY 31 HA2 GLY 31 3.374 4.726 16.375 232 HA3 GLY 31 HA3 GLY 31 3.746 3.267 17.280 233 HA PRO 32 HA PRO 32 5.159 1.019 13.697 234 HB2 PRO 32 HB2 PRO 32 3.236 -0.736 12.871 235 HB3 PRO 32 HB3 PRO 32 4.307 -1.012 14.245 236 HG2 PRO 32 HG2 PRO 32 1.496 0.054 14.208 237 HG3 PRO 32 HG3 PRO 32 2.186 -1.164 15.282 238 HD2 PRO 32 HD2 PRO 32 1.871 1.325 16.112 239 HD3 PRO 32 HD3 PRO 32 3.334 0.423 16.549 240 H CYS 33 HN CYS 33 1.679 1.672 13.170 241 HA CYS 33 HA CYS 33 1.680 1.724 10.417 242 HB2 CYS 33 HB2 CYS 33 0.140 3.644 12.177 243 HB3 CYS 33 HB3 CYS 33 -0.320 3.066 10.576 244 H LYS 34 HN LYS 34 2.280 4.509 12.563 245 HA LYS 34 HA LYS 34 3.026 6.275 10.453 246 HB2 LYS 34 HB2 LYS 34 2.626 6.434 13.268 247 HB3 LYS 34 HB3 LYS 34 4.225 7.074 12.919 248 HG2 LYS 34 HG2 LYS 34 3.238 8.994 12.423 249 HG3 LYS 34 HG3 LYS 34 2.603 8.207 10.977 250 HD2 LYS 34 HD2 LYS 34 0.540 8.477 11.760 251 HD3 LYS 34 HD3 LYS 34 0.942 7.449 13.137 252 HE2 LYS 34 HE2 LYS 34 2.074 9.750 13.936 253 HE3 LYS 34 HE3 LYS 34 0.765 10.392 12.945 254 HZ1 LYS 34 HZ1 LYS 34 0.591 8.718 15.370 255 HZ2 LYS 34 HZ2 LYS 34 -0.696 8.791 14.275 256 HZ3 LYS 34 HZ3 LYS 34 -0.163 10.198 15.046 257 H ARG 35 HN ARG 35 4.747 4.081 12.531 258 HA ARG 35 HA ARG 35 7.378 4.972 12.019 259 HB2 ARG 35 HB2 ARG 35 6.762 3.657 13.993 260 HB3 ARG 35 HB3 ARG 35 6.424 2.271 12.966 261 HG2 ARG 35 HG2 ARG 35 8.543 1.646 13.038 262 HG3 ARG 35 HG3 ARG 35 9.063 3.214 12.417 263 HD2 ARG 35 HD2 ARG 35 8.607 2.437 15.292 264 HD3 ARG 35 HD3 ARG 35 10.140 2.844 14.523 265 HE ARG 35 HE ARG 35 8.346 5.005 14.278 266 HH11 ARG 35 HH11 ARG 35 10.288 3.353 16.661 267 HH12 ARG 35 HH12 ARG 35 10.486 4.757 17.655 268 HH21 ARG 35 HH21 ARG 35 8.605 6.852 15.585 269 HH22 ARG 35 HH22 ARG 35 9.530 6.744 17.044 270 H ILE 36 HN ILE 36 5.293 2.831 10.264 271 HA ILE 36 HA ILE 36 7.429 1.611 8.810 272 HB ILE 36 HB ILE 36 5.406 0.340 9.310 273 HG12 ILE 36 HG12 ILE 36 5.135 -0.689 7.131 274 HG13 ILE 36 HG13 ILE 36 5.732 0.762 6.334 275 HG21 ILE 36 HG21 ILE 36 4.088 2.465 7.683 276 HG22 ILE 36 HG22 ILE 36 3.406 0.838 7.763 277 HG23 ILE 36 HG23 ILE 36 3.614 1.782 9.239 278 HD11 ILE 36 HD11 ILE 36 7.283 -1.278 6.643 279 HD12 ILE 36 HD12 ILE 36 7.911 0.344 6.931 280 HD13 ILE 36 HD13 ILE 36 7.453 -0.679 8.293 281 H ALA 37 HN ALA 37 5.598 4.478 8.557 282 HA ALA 37 HA ALA 37 5.472 4.822 5.769 283 HB1 ALA 37 HB1 ALA 37 5.186 6.524 8.146 284 HB2 ALA 37 HB2 ALA 37 5.659 7.366 6.670 285 HB3 ALA 37 HB3 ALA 37 4.181 6.405 6.702 286 HA PRO 38 HA PRO 38 9.691 7.382 6.463 287 HB2 PRO 38 HB2 PRO 38 10.777 5.497 8.503 288 HB3 PRO 38 HB3 PRO 38 11.016 7.241 8.340 289 HG2 PRO 38 HG2 PRO 38 9.378 6.258 10.196 290 HG3 PRO 38 HG3 PRO 38 8.978 7.746 9.318 291 HD2 PRO 38 HD2 PRO 38 7.863 5.004 9.000 292 HD3 PRO 38 HD3 PRO 38 7.067 6.573 8.810 293 H PHE 39 HN PHE 39 9.658 3.839 7.012 294 HA PHE 39 HA PHE 39 11.898 3.432 5.249 295 HB2 PHE 39 HB2 PHE 39 11.383 1.850 7.090 296 HB3 PHE 39 HB3 PHE 39 9.903 1.388 6.246 297 HD1 PHE 39 HD2 PHE 39 13.591 1.512 5.874 298 HD2 PHE 39 HD1 PHE 39 9.944 -0.268 4.591 299 HE1 PHE 39 HE2 PHE 39 14.856 -0.112 4.529 300 HE2 PHE 39 HE1 PHE 39 11.202 -1.887 3.249 301 HZ PHE 39 HZ PHE 39 13.653 -1.806 3.205 302 H TYR 40 HN TYR 40 8.453 3.408 5.099 303 HA TYR 40 HA TYR 40 8.032 2.200 2.607 304 HB2 TYR 40 HB2 TYR 40 6.442 3.276 4.554 305 HB3 TYR 40 HB3 TYR 40 6.307 4.510 3.288 306 HD1 TYR 40 HD1 TYR 40 6.646 0.831 2.900 307 HD2 TYR 40 HD2 TYR 40 4.106 4.221 2.528 308 HE1 TYR 40 HE1 TYR 40 4.958 -0.562 1.787 309 HE2 TYR 40 HE2 TYR 40 2.410 2.827 1.419 310 HH TYR 40 HH TYR 40 2.318 0.716 0.123 311 H GLU 41 HN GLU 41 8.944 5.444 3.570 312 HA GLU 41 HA GLU 41 8.618 6.687 1.038 313 HB2 GLU 41 HB2 GLU 41 10.579 7.532 3.166 314 HB3 GLU 41 HB3 GLU 41 9.802 8.540 1.952 315 HG2 GLU 41 HG2 GLU 41 7.630 7.622 3.181 316 HG3 GLU 41 HG3 GLU 41 8.772 7.524 4.521 317 H GLU 42 HN GLU 42 11.338 5.076 2.613 318 HA GLU 42 HA GLU 42 13.306 5.726 0.713 319 HB2 GLU 42 HB2 GLU 42 13.022 3.357 2.563 320 HB3 GLU 42 HB3 GLU 42 14.442 3.627 1.564 321 HG2 GLU 42 HG2 GLU 42 14.601 5.903 2.692 322 HG3 GLU 42 HG3 GLU 42 13.430 5.277 3.852 323 H CYS 43 HN CYS 43 11.216 2.882 1.017 324 HA CYS 43 HA CYS 43 12.053 1.502 -1.268 325 HB2 CYS 43 HB2 CYS 43 9.383 1.464 0.152 326 HB3 CYS 43 HB3 CYS 43 10.006 0.192 -0.876 327 HG CYS 43 HG CYS 43 11.014 1.070 2.240 328 H SER 44 HN SER 44 9.597 3.994 -0.830 329 HA SER 44 HA SER 44 8.355 3.664 -3.337 330 HB2 SER 44 HB2 SER 44 7.265 5.771 -2.886 331 HB3 SER 44 HB3 SER 44 7.342 4.815 -1.403 332 HG SER 44 HG SER 44 9.150 6.066 -0.781 333 H LYS 45 HN LYS 45 11.285 5.421 -2.493 334 HA LYS 45 HA LYS 45 11.166 6.849 -5.037 335 HB2 LYS 45 HB2 LYS 45 13.107 8.109 -4.253 336 HB3 LYS 45 HB3 LYS 45 11.774 8.164 -3.111 337 HG2 LYS 45 HG2 LYS 45 12.867 6.727 -1.605 338 HG3 LYS 45 HG3 LYS 45 14.059 6.243 -2.813 339 HD2 LYS 45 HD2 LYS 45 15.325 8.087 -2.498 340 HD3 LYS 45 HD3 LYS 45 13.924 9.130 -2.248 341 HE2 LYS 45 HE2 LYS 45 15.056 9.078 -0.184 342 HE3 LYS 45 HE3 LYS 45 13.666 8.010 0.007 343 HZ1 LYS 45 HZ1 LYS 45 15.773 7.103 0.901 344 HZ2 LYS 45 HZ2 LYS 45 16.396 7.066 -0.671 345 HZ3 LYS 45 HZ3 LYS 45 15.058 6.113 -0.270 346 H THR 46 HN THR 46 12.637 3.990 -3.876 347 HA THR 46 HA THR 46 14.710 4.082 -5.960 348 HB THR 46 HB THR 46 14.637 2.978 -3.331 349 HG1 THR 46 HG1 THR 46 16.501 3.880 -4.009 350 HG21 THR 46 HG21 THR 46 15.410 0.698 -3.710 351 HG22 THR 46 HG22 THR 46 13.779 0.906 -4.349 352 HG23 THR 46 HG23 THR 46 15.161 0.883 -5.446 353 H TYR 47 HN TYR 47 11.916 2.412 -4.872 354 HA TYR 47 HA TYR 47 11.902 0.404 -6.910 355 HB2 TYR 47 HB2 TYR 47 9.856 1.068 -4.798 356 HB3 TYR 47 HB3 TYR 47 9.802 -0.330 -5.861 357 HD1 TYR 47 HD1 TYR 47 12.479 -1.407 -5.844 358 HD2 TYR 47 HD2 TYR 47 10.299 0.382 -2.689 359 HE1 TYR 47 HE1 TYR 47 13.817 -2.674 -4.213 360 HE2 TYR 47 HE2 TYR 47 11.609 -0.881 -1.025 361 HH TYR 47 HH TYR 47 12.977 -3.174 -1.136 362 H THR 48 HN THR 48 11.552 3.401 -7.527 363 HA THR 48 HA THR 48 9.005 4.080 -8.192 364 HB THR 48 HB THR 48 9.889 5.675 -9.763 365 HG1 THR 48 HG1 THR 48 12.131 5.548 -10.332 366 HG21 THR 48 HG21 THR 48 11.355 6.856 -8.316 367 HG22 THR 48 HG22 THR 48 10.268 5.936 -7.274 368 HG23 THR 48 HG23 THR 48 11.913 5.366 -7.555 369 H LYS 49 HN LYS 49 10.318 1.338 -9.464 370 HA LYS 49 HA LYS 49 9.079 1.607 -12.089 371 HB2 LYS 49 HB2 LYS 49 9.704 -0.954 -12.111 372 HB3 LYS 49 HB3 LYS 49 10.932 0.264 -12.397 373 HG2 LYS 49 HG2 LYS 49 10.537 -0.605 -9.596 374 HG3 LYS 49 HG3 LYS 49 11.251 -1.769 -10.710 375 HD2 LYS 49 HD2 LYS 49 12.287 1.040 -10.569 376 HD3 LYS 49 HD3 LYS 49 12.816 -0.177 -9.405 377 HE2 LYS 49 HE2 LYS 49 12.948 -0.591 -12.382 378 HE3 LYS 49 HE3 LYS 49 14.267 0.127 -11.458 379 HZ1 LYS 49 HZ1 LYS 49 14.148 -1.948 -10.043 380 HZ2 LYS 49 HZ2 LYS 49 14.764 -2.140 -11.606 381 HZ3 LYS 49 HZ3 LYS 49 13.179 -2.617 -11.258 382 H MET 50 HN MET 50 8.043 1.364 -9.119 383 HA MET 50 HA MET 50 5.582 -0.189 -9.667 384 HB2 MET 50 HB2 MET 50 7.440 -1.269 -8.132 385 HB3 MET 50 HB3 MET 50 6.917 -0.079 -6.954 386 HG2 MET 50 HG2 MET 50 5.014 -1.187 -6.507 387 HG3 MET 50 HG3 MET 50 4.804 -1.710 -8.170 388 HE1 MET 50 HE1 MET 50 7.924 -3.348 -8.486 389 HE2 MET 50 HE2 MET 50 6.367 -3.245 -9.303 390 HE3 MET 50 HE3 MET 50 6.887 -4.768 -8.588 391 H VAL 51 HN VAL 51 3.756 0.940 -8.938 392 HA VAL 51 HA VAL 51 4.320 3.675 -8.060 393 HB VAL 51 HB VAL 51 1.563 3.554 -8.283 394 HG11 VAL 51 HG11 VAL 51 3.444 5.170 -9.100 395 HG12 VAL 51 HG12 VAL 51 3.225 4.315 -10.625 396 HG13 VAL 51 HG13 VAL 51 1.863 5.154 -9.881 397 HG21 VAL 51 HG21 VAL 51 1.302 2.638 -10.624 398 HG22 VAL 51 HG22 VAL 51 2.834 1.806 -10.365 399 HG23 VAL 51 HG23 VAL 51 1.454 1.460 -9.327 400 H PHE 52 HN PHE 52 4.024 4.448 -6.145 401 HA PHE 52 HA PHE 52 2.746 2.742 -4.140 402 HB2 PHE 52 HB2 PHE 52 4.795 4.940 -3.889 403 HB3 PHE 52 HB3 PHE 52 3.996 4.226 -2.501 404 HD1 PHE 52 HD2 PHE 52 5.656 3.051 -5.572 405 HD2 PHE 52 HD1 PHE 52 5.254 2.639 -1.376 406 HE1 PHE 52 HE2 PHE 52 7.361 1.281 -5.604 407 HE2 PHE 52 HE1 PHE 52 6.967 0.857 -1.382 408 HZ PHE 52 HZ PHE 52 8.010 0.188 -3.506 409 H ILE 53 HN ILE 53 0.966 3.300 -3.154 410 HA ILE 53 HA ILE 53 0.173 6.115 -2.881 411 HB ILE 53 HB ILE 53 -2.096 5.735 -3.633 412 HG12 ILE 53 HG12 ILE 53 -1.660 3.179 -4.971 413 HG13 ILE 53 HG13 ILE 53 -1.594 3.055 -3.217 414 HG21 ILE 53 HG21 ILE 53 -0.084 6.224 -5.234 415 HG22 ILE 53 HG22 ILE 53 -0.493 4.640 -5.891 416 HG23 ILE 53 HG23 ILE 53 -1.697 5.929 -5.883 417 HD11 ILE 53 HD11 ILE 53 -3.849 4.383 -4.686 418 HD12 ILE 53 HD12 ILE 53 -3.839 2.671 -4.267 419 HD13 ILE 53 HD13 ILE 53 -3.794 3.890 -2.993 420 H LYS 54 HN LYS 54 -1.225 6.467 -1.073 421 HA LYS 54 HA LYS 54 -1.565 4.113 0.668 422 HB2 LYS 54 HB2 LYS 54 -0.981 5.356 2.577 423 HB3 LYS 54 HB3 LYS 54 0.218 5.796 1.372 424 HG2 LYS 54 HG2 LYS 54 -2.094 7.573 1.389 425 HG3 LYS 54 HG3 LYS 54 -1.228 7.532 2.921 426 HD2 LYS 54 HD2 LYS 54 0.676 7.647 0.802 427 HD3 LYS 54 HD3 LYS 54 -0.534 8.901 0.539 428 HE2 LYS 54 HE2 LYS 54 0.283 10.141 2.196 429 HE3 LYS 54 HE3 LYS 54 0.235 8.781 3.316 430 HZ1 LYS 54 HZ1 LYS 54 2.362 8.029 2.355 431 HZ2 LYS 54 HZ2 LYS 54 2.478 9.543 3.098 432 HZ3 LYS 54 HZ3 LYS 54 2.417 9.432 1.411 433 H VAL 55 HN VAL 55 -3.506 3.883 1.734 434 HA VAL 55 HA VAL 55 -5.476 6.005 1.385 435 HB VAL 55 HB VAL 55 -5.536 3.382 0.067 436 HG11 VAL 55 HG11 VAL 55 -7.884 4.233 1.713 437 HG12 VAL 55 HG12 VAL 55 -8.131 3.399 0.176 438 HG13 VAL 55 HG13 VAL 55 -7.209 2.621 1.464 439 HG21 VAL 55 HG21 VAL 55 -7.517 5.045 -0.959 440 HG22 VAL 55 HG22 VAL 55 -6.223 6.128 -0.449 441 HG23 VAL 55 HG23 VAL 55 -5.882 4.819 -1.580 442 H ASP 56 HN ASP 56 -6.274 6.503 3.244 443 HA ASP 56 HA ASP 56 -6.104 4.760 5.525 444 HB2 ASP 56 HB2 ASP 56 -5.735 6.971 6.154 445 HB3 ASP 56 HB3 ASP 56 -6.909 7.597 5.017 446 H VAL 57 HN VAL 57 -7.823 3.908 6.710 447 HA VAL 57 HA VAL 57 -10.017 3.023 5.111 448 HB VAL 57 HB VAL 57 -10.681 1.709 7.021 449 HG11 VAL 57 HG11 VAL 57 -9.022 0.440 6.191 450 HG12 VAL 57 HG12 VAL 57 -7.878 1.782 6.154 451 HG13 VAL 57 HG13 VAL 57 -8.168 0.912 7.661 452 HG21 VAL 57 HG21 VAL 57 -8.889 3.574 8.530 453 HG22 VAL 57 HG22 VAL 57 -10.548 3.092 8.883 454 HG23 VAL 57 HG23 VAL 57 -9.225 1.957 9.148 455 H ASP 58 HN ASP 58 -9.488 5.499 7.466 456 HA ASP 58 HA ASP 58 -12.189 5.902 8.181 457 HB2 ASP 58 HB2 ASP 58 -10.707 6.679 9.788 458 HB3 ASP 58 HB3 ASP 58 -9.651 7.428 8.600 459 H GLU 59 HN GLU 59 -10.156 7.169 5.627 460 HA GLU 59 HA GLU 59 -11.858 9.356 4.955 461 HB2 GLU 59 HB2 GLU 59 -10.054 8.055 2.948 462 HB3 GLU 59 HB3 GLU 59 -10.447 9.756 3.147 463 HG2 GLU 59 HG2 GLU 59 -9.150 9.711 5.285 464 HG3 GLU 59 HG3 GLU 59 -8.633 8.085 4.851 465 H VAL 60 HN VAL 60 -11.694 5.988 4.009 466 HA VAL 60 HA VAL 60 -14.323 6.202 2.821 467 HB VAL 60 HB VAL 60 -13.203 4.788 0.794 468 HG11 VAL 60 HG11 VAL 60 -13.249 7.084 -0.428 469 HG12 VAL 60 HG12 VAL 60 -14.742 6.407 0.223 470 HG13 VAL 60 HG13 VAL 60 -13.893 7.677 1.103 471 HG21 VAL 60 HG21 VAL 60 -11.225 5.988 0.001 472 HG22 VAL 60 HG22 VAL 60 -11.213 6.952 1.479 473 HG23 VAL 60 HG23 VAL 60 -10.922 5.214 1.556 474 H SER 61 HN SER 61 -14.999 4.751 4.382 475 HA SER 61 HA SER 61 -13.775 2.341 5.081 476 HB2 SER 61 HB2 SER 61 -15.857 3.599 6.093 477 HB3 SER 61 HB3 SER 61 -16.764 2.549 5.004 478 HG SER 61 HG SER 61 -16.500 1.040 6.425 479 H GLU 62 HN GLU 62 -15.815 3.184 2.384 480 HA GLU 62 HA GLU 62 -16.587 0.663 1.506 481 HB2 GLU 62 HB2 GLU 62 -16.878 1.682 -0.677 482 HB3 GLU 62 HB3 GLU 62 -17.441 2.756 0.586 483 HG2 GLU 62 HG2 GLU 62 -15.340 4.024 0.410 484 HG3 GLU 62 HG3 GLU 62 -14.865 2.985 -0.936 485 H VAL 63 HN VAL 63 -13.567 2.343 1.189 486 HA VAL 63 HA VAL 63 -12.378 0.722 -0.802 487 HB VAL 63 HB VAL 63 -11.122 2.348 1.419 488 HG11 VAL 63 HG11 VAL 63 -9.186 1.971 -0.519 489 HG12 VAL 63 HG12 VAL 63 -9.242 1.203 1.066 490 HG13 VAL 63 HG13 VAL 63 -9.918 0.379 -0.339 491 HG21 VAL 63 HG21 VAL 63 -12.367 3.479 -0.497 492 HG22 VAL 63 HG22 VAL 63 -10.710 4.003 -0.201 493 HG23 VAL 63 HG23 VAL 63 -11.060 2.909 -1.537 494 H THR 64 HN THR 64 -12.520 0.537 2.698 495 HA THR 64 HA THR 64 -10.817 -1.646 3.104 496 HB THR 64 HB THR 64 -13.259 -0.770 4.660 497 HG1 THR 64 HG1 THR 64 -11.423 0.717 4.439 498 HG21 THR 64 HG21 THR 64 -12.160 -3.190 4.976 499 HG22 THR 64 HG22 THR 64 -11.038 -2.253 5.962 500 HG23 THR 64 HG23 THR 64 -12.761 -2.244 6.336 501 H GLU 65 HN GLU 65 -14.288 -1.454 2.457 502 HA GLU 65 HA GLU 65 -14.760 -4.259 2.585 503 HB2 GLU 65 HB2 GLU 65 -16.586 -2.731 2.938 504 HB3 GLU 65 HB3 GLU 65 -16.342 -1.997 1.360 505 HG2 GLU 65 HG2 GLU 65 -18.073 -3.332 0.822 506 HG3 GLU 65 HG3 GLU 65 -16.786 -4.509 0.580 507 H LYS 66 HN LYS 66 -14.021 -2.017 -0.045 508 HA LYS 66 HA LYS 66 -14.543 -3.692 -2.210 509 HB2 LYS 66 HB2 LYS 66 -12.381 -1.590 -2.004 510 HB3 LYS 66 HB3 LYS 66 -13.039 -2.254 -3.494 511 HG2 LYS 66 HG2 LYS 66 -15.159 -1.244 -1.850 512 HG3 LYS 66 HG3 LYS 66 -13.921 -0.008 -2.078 513 HD2 LYS 66 HD2 LYS 66 -14.066 -0.277 -4.487 514 HD3 LYS 66 HD3 LYS 66 -15.240 -1.580 -4.290 515 HE2 LYS 66 HE2 LYS 66 -16.528 0.271 -2.915 516 HE3 LYS 66 HE3 LYS 66 -15.570 1.353 -3.923 517 HZ1 LYS 66 HZ1 LYS 66 -17.158 1.073 -5.436 518 HZ2 LYS 66 HZ2 LYS 66 -17.846 -0.237 -4.616 519 HZ3 LYS 66 HZ3 LYS 66 -16.552 -0.489 -5.676 520 H GLU 67 HN GLU 67 -11.736 -3.519 -0.105 521 HA GLU 67 HA GLU 67 -10.455 -5.635 -1.687 522 HB2 GLU 67 HB2 GLU 67 -9.311 -3.757 0.385 523 HB3 GLU 67 HB3 GLU 67 -8.407 -5.062 -0.371 524 HG2 GLU 67 HG2 GLU 67 -9.537 -2.604 -1.676 525 HG3 GLU 67 HG3 GLU 67 -7.843 -3.055 -1.493 526 H ASN 68 HN ASN 68 -12.594 -5.576 0.671 527 HA ASN 68 HA ASN 68 -13.162 -6.889 2.430 528 HB2 ASN 68 HB2 ASN 68 -12.221 -8.481 0.331 529 HB3 ASN 68 HB3 ASN 68 -11.479 -9.143 1.776 530 HD21 ASN 68 HD21 ASN 68 -13.117 -9.272 3.675 531 HD22 ASN 68 HD22 ASN 68 -14.641 -9.976 3.275 532 H ILE 69 HN ILE 69 -11.223 -5.109 3.090 533 HA ILE 69 HA ILE 69 -8.917 -6.259 4.289 534 HB ILE 69 HB ILE 69 -10.240 -3.601 4.817 535 HG12 ILE 69 HG12 ILE 69 -9.441 -4.074 2.448 536 HG13 ILE 69 HG13 ILE 69 -8.770 -2.644 3.222 537 HG21 ILE 69 HG21 ILE 69 -8.874 -3.679 6.609 538 HG22 ILE 69 HG22 ILE 69 -7.790 -4.856 5.868 539 HG23 ILE 69 HG23 ILE 69 -7.684 -3.154 5.417 540 HD11 ILE 69 HD11 ILE 69 -6.707 -3.406 3.010 541 HD12 ILE 69 HD12 ILE 69 -7.136 -4.972 3.697 542 HD13 ILE 69 HD13 ILE 69 -7.372 -4.670 1.975 543 H THR 70 HN THR 70 -8.850 -7.476 6.061 544 HA THR 70 HA THR 70 -10.996 -7.168 8.044 545 HB THR 70 HB THR 70 -10.400 -9.464 8.757 546 HG1 THR 70 HG1 THR 70 -9.036 -10.673 7.361 547 HG21 THR 70 HG21 THR 70 -11.901 -10.302 7.312 548 HG22 THR 70 HG22 THR 70 -11.942 -8.671 6.641 549 HG23 THR 70 HG23 THR 70 -10.906 -9.898 5.913 550 H SER 71 HN SER 71 -7.475 -7.509 7.710 551 HA SER 71 HA SER 71 -7.236 -6.524 10.479 552 HB2 SER 71 HB2 SER 71 -5.023 -7.997 10.386 553 HB3 SER 71 HB3 SER 71 -6.573 -8.680 10.877 554 HG SER 71 HG SER 71 -6.833 -9.489 8.794 555 H MET 72 HN MET 72 -5.880 -4.904 10.824 556 HA MET 72 HA MET 72 -4.059 -4.050 8.653 557 HB2 MET 72 HB2 MET 72 -5.938 -2.564 10.413 558 HB3 MET 72 HB3 MET 72 -4.391 -1.795 10.095 559 HG2 MET 72 HG2 MET 72 -5.329 -0.968 8.272 560 HG3 MET 72 HG3 MET 72 -5.220 -2.589 7.598 561 HE1 MET 72 HE1 MET 72 -8.523 -0.307 9.468 562 HE2 MET 72 HE2 MET 72 -7.009 -0.778 10.240 563 HE3 MET 72 HE3 MET 72 -8.443 -1.786 10.426 564 HA PRO 73 HA PRO 73 -2.646 -2.092 8.651 565 HB2 PRO 73 HB2 PRO 73 0.003 -2.006 8.201 566 HB3 PRO 73 HB3 PRO 73 -0.739 -1.029 9.478 567 HG2 PRO 73 HG2 PRO 73 0.666 -3.670 9.695 568 HG3 PRO 73 HG3 PRO 73 0.871 -2.215 10.691 569 HD2 PRO 73 HD2 PRO 73 -0.652 -4.317 11.469 570 HD3 PRO 73 HD3 PRO 73 -1.031 -2.644 11.923 571 H THR 74 HN THR 74 -2.490 -2.616 6.455 572 HA THR 74 HA THR 74 -1.351 -5.248 5.796 573 HB THR 74 HB THR 74 -3.730 -4.402 4.238 574 HG1 THR 74 HG1 THR 74 -4.983 -5.604 5.944 575 HG21 THR 74 HG21 THR 74 -3.052 -7.106 5.365 576 HG22 THR 74 HG22 THR 74 -4.044 -6.716 3.960 577 HG23 THR 74 HG23 THR 74 -2.296 -6.490 3.895 578 H PHE 75 HN PHE 75 -0.021 -5.274 4.112 579 HA PHE 75 HA PHE 75 -0.009 -3.001 2.218 580 HB2 PHE 75 HB2 PHE 75 2.273 -4.729 3.181 581 HB3 PHE 75 HB3 PHE 75 2.389 -3.695 1.772 582 HD1 PHE 75 HD1 PHE 75 0.327 -1.944 3.896 583 HD2 PHE 75 HD2 PHE 75 4.408 -3.126 3.518 584 HE1 PHE 75 HE1 PHE 75 1.006 -0.055 5.319 585 HE2 PHE 75 HE2 PHE 75 5.082 -1.242 4.954 586 HZ PHE 75 HZ PHE 75 3.387 0.294 5.849 587 H LYS 76 HN LYS 76 -0.826 -3.556 0.328 588 HA LYS 76 HA LYS 76 -0.410 -6.319 -0.602 589 HB2 LYS 76 HB2 LYS 76 -2.848 -4.745 -0.286 590 HB3 LYS 76 HB3 LYS 76 -2.680 -5.397 -1.907 591 HG2 LYS 76 HG2 LYS 76 -2.092 -7.572 -0.348 592 HG3 LYS 76 HG3 LYS 76 -3.322 -6.737 0.602 593 HD2 LYS 76 HD2 LYS 76 -3.785 -7.048 -2.314 594 HD3 LYS 76 HD3 LYS 76 -3.953 -8.479 -1.294 595 HE2 LYS 76 HE2 LYS 76 -5.649 -7.468 0.010 596 HE3 LYS 76 HE3 LYS 76 -5.318 -5.874 -0.666 597 HZ1 LYS 76 HZ1 LYS 76 -6.318 -8.144 -2.289 598 HZ2 LYS 76 HZ2 LYS 76 -6.236 -6.514 -2.733 599 HZ3 LYS 76 HZ3 LYS 76 -7.339 -7.014 -1.552 600 H VAL 77 HN VAL 77 0.351 -6.600 -2.624 601 HA VAL 77 HA VAL 77 0.885 -4.182 -4.194 602 HB VAL 77 HB VAL 77 2.059 -6.960 -4.446 603 HG11 VAL 77 HG11 VAL 77 2.893 -4.460 -5.915 604 HG12 VAL 77 HG12 VAL 77 3.495 -6.101 -6.155 605 HG13 VAL 77 HG13 VAL 77 1.839 -5.696 -6.606 606 HG21 VAL 77 HG21 VAL 77 4.083 -6.029 -3.578 607 HG22 VAL 77 HG22 VAL 77 3.396 -4.405 -3.582 608 HG23 VAL 77 HG23 VAL 77 2.776 -5.623 -2.466 609 H TYR 78 HN TYR 78 -0.117 -3.869 -6.106 610 HA TYR 78 HA TYR 78 -1.967 -5.986 -6.949 611 HB2 TYR 78 HB2 TYR 78 -2.145 -2.998 -7.202 612 HB3 TYR 78 HB3 TYR 78 -3.262 -4.094 -7.984 613 HD1 TYR 78 HD1 TYR 78 -2.050 -2.857 -4.733 614 HD2 TYR 78 HD2 TYR 78 -5.024 -5.145 -6.732 615 HE1 TYR 78 HE1 TYR 78 -3.389 -2.910 -2.672 616 HE2 TYR 78 HE2 TYR 78 -6.371 -5.202 -4.682 617 HH TYR 78 HH TYR 78 -5.132 -4.146 -1.638 618 H LYS 79 HN LYS 79 -1.699 -6.918 -8.839 619 HA LYS 79 HA LYS 79 -0.009 -5.591 -10.847 620 HB2 LYS 79 HB2 LYS 79 1.031 -7.592 -9.840 621 HB3 LYS 79 HB3 LYS 79 -0.362 -8.550 -10.322 622 HG2 LYS 79 HG2 LYS 79 0.584 -8.946 -12.267 623 HG3 LYS 79 HG3 LYS 79 0.584 -7.219 -12.619 624 HD2 LYS 79 HD2 LYS 79 2.740 -6.958 -11.565 625 HD3 LYS 79 HD3 LYS 79 2.728 -8.644 -11.047 626 HE2 LYS 79 HE2 LYS 79 2.625 -7.790 -13.931 627 HE3 LYS 79 HE3 LYS 79 4.127 -8.134 -13.074 628 HZ1 LYS 79 HZ1 LYS 79 2.384 -9.942 -14.309 629 HZ2 LYS 79 HZ2 LYS 79 2.368 -10.270 -12.650 630 HZ3 LYS 79 HZ3 LYS 79 3.832 -10.272 -13.498 631 H ASN 80 HN ASN 80 -0.872 -5.201 -12.727 632 HA ASN 80 HA ASN 80 -2.360 -5.050 -14.427 633 HB2 ASN 80 HB2 ASN 80 -2.230 -7.894 -13.749 634 HB3 ASN 80 HB3 ASN 80 -3.736 -7.437 -14.535 635 HD21 ASN 80 HD21 ASN 80 -0.393 -8.010 -14.928 636 HD22 ASN 80 HD22 ASN 80 -0.307 -7.687 -16.623 637 H GLY 81 HN GLY 81 -3.188 -4.173 -11.820 638 HA2 GLY 81 HA2 GLY 81 -5.103 -3.187 -11.012 639 HA3 GLY 81 HA3 GLY 81 -5.979 -3.874 -12.365 640 H SER 82 HN SER 82 -4.134 -5.703 -9.942 641 HA SER 82 HA SER 82 -6.487 -6.363 -8.459 642 HB2 SER 82 HB2 SER 82 -5.688 -8.067 -10.690 643 HB3 SER 82 HB3 SER 82 -5.741 -8.949 -9.164 644 HG SER 82 HG SER 82 -7.778 -8.049 -10.691 645 H SER 83 HN SER 83 -6.015 -8.065 -6.772 646 HA SER 83 HA SER 83 -3.623 -7.319 -5.465 647 HB2 SER 83 HB2 SER 83 -4.345 -9.286 -3.903 648 HB3 SER 83 HB3 SER 83 -5.301 -7.809 -3.958 649 HG SER 83 HG SER 83 -6.898 -8.881 -4.819 650 H VAL 84 HN VAL 84 -1.687 -8.277 -5.311 651 HA VAL 84 HA VAL 84 -1.350 -10.842 -6.709 652 HB VAL 84 HB VAL 84 -0.422 -8.670 -7.762 653 HG11 VAL 84 HG11 VAL 84 1.331 -7.603 -6.913 654 HG12 VAL 84 HG12 VAL 84 0.803 -8.318 -5.394 655 HG13 VAL 84 HG13 VAL 84 2.088 -9.084 -6.323 656 HG21 VAL 84 HG21 VAL 84 1.787 -10.042 -8.294 657 HG22 VAL 84 HG22 VAL 84 0.865 -11.324 -7.509 658 HG23 VAL 84 HG23 VAL 84 0.210 -10.509 -8.929 659 H ASP 85 HN ASP 85 -0.433 -8.876 -3.936 660 HA ASP 85 HA ASP 85 0.375 -11.264 -2.523 661 HB2 ASP 85 HB2 ASP 85 2.395 -10.078 -3.778 662 HB3 ASP 85 HB3 ASP 85 2.342 -9.031 -2.364 663 H THR 86 HN THR 86 0.474 -10.972 -0.231 664 HA THR 86 HA THR 86 -0.581 -8.406 0.730 665 HB THR 86 HB THR 86 -1.961 -9.669 2.360 666 HG1 THR 86 HG1 THR 86 -1.445 -11.921 0.703 667 HG21 THR 86 HG21 THR 86 -3.425 -10.722 0.315 668 HG22 THR 86 HG22 THR 86 -3.446 -9.027 0.799 669 HG23 THR 86 HG23 THR 86 -2.412 -9.551 -0.530 670 H LEU 87 HN LEU 87 0.549 -7.583 2.381 671 HA LEU 87 HA LEU 87 2.328 -9.397 3.869 672 HB2 LEU 87 HB2 LEU 87 3.966 -8.080 3.134 673 HB3 LEU 87 HB3 LEU 87 2.833 -6.921 2.481 674 HG LEU 87 HG LEU 87 2.722 -5.812 4.685 675 HD11 LEU 87 HD11 LEU 87 4.084 -8.194 5.520 676 HD12 LEU 87 HD12 LEU 87 5.011 -6.757 5.953 677 HD13 LEU 87 HD13 LEU 87 3.339 -6.921 6.488 678 HD21 LEU 87 HD21 LEU 87 4.275 -5.020 2.997 679 HD22 LEU 87 HD22 LEU 87 4.971 -4.846 4.608 680 HD23 LEU 87 HD23 LEU 87 5.492 -6.164 3.559 681 H LEU 88 HN LEU 88 1.796 -9.702 5.913 682 HA LEU 88 HA LEU 88 -0.122 -7.923 7.198 683 HB2 LEU 88 HB2 LEU 88 0.695 -10.724 7.496 684 HB3 LEU 88 HB3 LEU 88 0.426 -9.903 9.021 685 HG LEU 88 HG LEU 88 -1.643 -9.782 6.852 686 HD11 LEU 88 HD11 LEU 88 -0.838 -12.122 8.416 687 HD12 LEU 88 HD12 LEU 88 -2.555 -11.730 8.521 688 HD13 LEU 88 HD13 LEU 88 -1.809 -12.012 6.948 689 HD21 LEU 88 HD21 LEU 88 -2.447 -8.407 8.435 690 HD22 LEU 88 HD22 LEU 88 -2.916 -9.904 9.239 691 HD23 LEU 88 HD23 LEU 88 -1.420 -9.089 9.697 692 H GLY 89 HN GLY 89 0.274 -6.685 8.976 693 HA2 GLY 89 HA2 GLY 89 1.484 -5.568 10.592 694 HA3 GLY 89 HA3 GLY 89 2.586 -6.942 10.617 695 H ALA 90 HN ALA 90 2.476 -3.706 10.045 696 HA ALA 90 HA ALA 90 4.081 -3.585 7.684 697 HB1 ALA 90 HB1 ALA 90 2.630 -1.765 9.227 698 HB2 ALA 90 HB2 ALA 90 4.306 -1.220 9.282 699 HB3 ALA 90 HB3 ALA 90 3.506 -1.454 7.728 700 H ASN 91 HN ASN 91 6.029 -4.389 7.671 701 HA ASN 91 HA ASN 91 7.896 -3.642 9.816 702 HB2 ASN 91 HB2 ASN 91 7.730 -6.241 8.278 703 HB3 ASN 91 HB3 ASN 91 9.133 -5.779 9.235 704 HD21 ASN 91 HD21 ASN 91 7.953 -4.647 11.436 705 HD22 ASN 91 HD22 ASN 91 7.043 -5.865 12.295 706 H ASP 92 HN ASP 92 9.801 -2.689 9.109 707 HA ASP 92 HA ASP 92 9.823 -1.662 6.466 708 HB2 ASP 92 HB2 ASP 92 12.197 -0.985 7.059 709 HB3 ASP 92 HB3 ASP 92 10.946 -0.413 8.158 710 H SER 93 HN SER 93 11.600 -4.279 8.065 711 HA SER 93 HA SER 93 13.191 -5.004 5.833 712 HB2 SER 93 HB2 SER 93 12.564 -6.921 8.033 713 HB3 SER 93 HB3 SER 93 14.080 -6.638 7.185 714 HG SER 93 HG SER 93 14.568 -5.128 8.568 715 H ALA 94 HN ALA 94 10.114 -6.235 7.077 716 HA ALA 94 HA ALA 94 10.061 -8.531 5.397 717 HB1 ALA 94 HB1 ALA 94 7.559 -7.268 6.431 718 HB2 ALA 94 HB2 ALA 94 7.962 -8.975 6.256 719 HB3 ALA 94 HB3 ALA 94 8.693 -8.026 7.550 720 H LEU 95 HN LEU 95 8.784 -5.288 5.121 721 HA LEU 95 HA LEU 95 7.451 -5.812 2.665 722 HB2 LEU 95 HB2 LEU 95 6.566 -3.941 3.628 723 HB3 LEU 95 HB3 LEU 95 8.107 -3.424 4.290 724 HG LEU 95 HG LEU 95 8.519 -3.160 1.598 725 HD11 LEU 95 HD11 LEU 95 6.367 -3.602 0.893 726 HD12 LEU 95 HD12 LEU 95 5.649 -2.631 2.178 727 HD13 LEU 95 HD13 LEU 95 6.511 -1.842 0.854 728 HD21 LEU 95 HD21 LEU 95 8.819 -1.628 3.712 729 HD22 LEU 95 HD22 LEU 95 8.843 -0.973 2.067 730 HD23 LEU 95 HD23 LEU 95 7.374 -0.857 3.051 731 H LYS 96 HN LYS 96 10.659 -4.787 3.665 732 HA LYS 96 HA LYS 96 11.631 -3.780 1.266 733 HB2 LYS 96 HB2 LYS 96 12.938 -3.662 3.313 734 HB3 LYS 96 HB3 LYS 96 13.051 -5.414 3.385 735 HG2 LYS 96 HG2 LYS 96 15.131 -4.663 2.595 736 HG3 LYS 96 HG3 LYS 96 14.285 -5.300 1.184 737 HD2 LYS 96 HD2 LYS 96 14.624 -3.354 0.163 738 HD3 LYS 96 HD3 LYS 96 13.577 -2.586 1.358 739 HE2 LYS 96 HE2 LYS 96 15.750 -2.603 2.820 740 HE3 LYS 96 HE3 LYS 96 16.556 -2.746 1.258 741 HZ1 LYS 96 HZ1 LYS 96 16.457 -0.497 1.455 742 HZ2 LYS 96 HZ2 LYS 96 15.032 -0.507 2.365 743 HZ3 LYS 96 HZ3 LYS 96 14.968 -0.750 0.693 744 H GLN 97 HN GLN 97 11.450 -7.086 2.469 745 HA GLN 97 HA GLN 97 12.564 -8.264 0.123 746 HB2 GLN 97 HB2 GLN 97 11.215 -9.263 2.589 747 HB3 GLN 97 HB3 GLN 97 11.290 -10.335 1.198 748 HG2 GLN 97 HG2 GLN 97 13.134 -10.678 2.789 749 HG3 GLN 97 HG3 GLN 97 13.686 -10.232 1.175 750 HE21 GLN 97 HE21 GLN 97 14.196 -9.725 4.353 751 HE22 GLN 97 HE22 GLN 97 14.910 -8.153 4.299 752 H LEU 98 HN LEU 98 9.311 -7.383 1.197 753 HA LEU 98 HA LEU 98 7.917 -8.905 -0.745 754 HB2 LEU 98 HB2 LEU 98 6.751 -8.174 1.179 755 HB3 LEU 98 HB3 LEU 98 7.196 -6.501 0.896 756 HG LEU 98 HG LEU 98 5.739 -6.344 -0.976 757 HD11 LEU 98 HD11 LEU 98 4.303 -8.291 -1.627 758 HD12 LEU 98 HD12 LEU 98 6.014 -8.469 -2.017 759 HD13 LEU 98 HD13 LEU 98 5.336 -9.306 -0.620 760 HD21 LEU 98 HD21 LEU 98 3.659 -6.483 0.099 761 HD22 LEU 98 HD22 LEU 98 4.171 -7.853 1.084 762 HD23 LEU 98 HD23 LEU 98 4.830 -6.248 1.397 763 H ILE 99 HN ILE 99 8.846 -5.481 -0.625 764 HA ILE 99 HA ILE 99 7.830 -4.867 -3.193 765 HB ILE 99 HB ILE 99 8.026 -3.077 -1.649 766 HG12 ILE 99 HG12 ILE 99 9.423 -1.521 -2.950 767 HG13 ILE 99 HG13 ILE 99 9.977 -2.869 -3.907 768 HG21 ILE 99 HG21 ILE 99 10.037 -2.160 -0.761 769 HG22 ILE 99 HG22 ILE 99 9.974 -3.867 -0.319 770 HG23 ILE 99 HG23 ILE 99 11.020 -3.339 -1.633 771 HD11 ILE 99 HD11 ILE 99 7.656 -3.348 -4.517 772 HD12 ILE 99 HD12 ILE 99 7.152 -1.899 -3.648 773 HD13 ILE 99 HD13 ILE 99 8.202 -1.759 -5.061 774 H GLU 100 HN GLU 100 10.866 -5.960 -2.019 775 HA GLU 100 HA GLU 100 12.406 -5.401 -4.265 776 HB2 GLU 100 HB2 GLU 100 12.637 -7.148 -1.892 777 HB3 GLU 100 HB3 GLU 100 13.649 -7.577 -3.267 778 HG2 GLU 100 HG2 GLU 100 14.255 -5.038 -3.222 779 HG3 GLU 100 HG3 GLU 100 13.710 -5.144 -1.554 780 H LYS 101 HN LYS 101 10.215 -8.011 -3.582 781 HA LYS 101 HA LYS 101 11.119 -9.890 -5.451 782 HB2 LYS 101 HB2 LYS 101 8.988 -9.572 -3.642 783 HB3 LYS 101 HB3 LYS 101 8.263 -9.955 -5.189 784 HG2 LYS 101 HG2 LYS 101 10.380 -11.752 -4.928 785 HG3 LYS 101 HG3 LYS 101 9.611 -11.692 -3.339 786 HD2 LYS 101 HD2 LYS 101 8.040 -12.017 -5.885 787 HD3 LYS 101 HD3 LYS 101 8.683 -13.394 -4.993 788 HE2 LYS 101 HE2 LYS 101 7.248 -11.497 -3.307 789 HE3 LYS 101 HE3 LYS 101 6.244 -12.195 -4.577 790 HZ1 LYS 101 HZ1 LYS 101 6.099 -13.584 -2.671 791 HZ2 LYS 101 HZ2 LYS 101 7.780 -13.657 -2.502 792 HZ3 LYS 101 HZ3 LYS 101 7.029 -14.411 -3.817 793 H TYR 102 HN TYR 102 8.625 -7.406 -5.748 794 HA TYR 102 HA TYR 102 8.370 -8.029 -8.590 795 HB2 TYR 102 HB2 TYR 102 6.675 -6.041 -7.124 796 HB3 TYR 102 HB3 TYR 102 6.274 -7.026 -8.527 797 HD1 TYR 102 HD1 TYR 102 6.274 -9.617 -8.098 798 HD2 TYR 102 HD2 TYR 102 5.884 -6.674 -5.055 799 HE1 TYR 102 HE1 TYR 102 5.222 -11.287 -6.636 800 HE2 TYR 102 HE2 TYR 102 4.798 -8.334 -3.590 801 HH TYR 102 HH TYR 102 4.968 -11.088 -3.504 802 H ALA 103 HN ALA 103 9.368 -5.549 -6.372 803 HA ALA 103 HA ALA 103 9.743 -3.638 -8.538 804 HB1 ALA 103 HB1 ALA 103 9.599 -2.049 -6.975 805 HB2 ALA 103 HB2 ALA 103 8.989 -3.344 -5.948 806 HB3 ALA 103 HB3 ALA 103 10.693 -2.894 -5.878 807 H ALA 104 HN ALA 104 11.590 -5.630 -6.312 808 HA ALA 104 HA ALA 104 14.010 -4.661 -7.652 809 HB1 ALA 104 HB1 ALA 104 13.839 -4.488 -5.129 810 HB2 ALA 104 HB2 ALA 104 14.044 -6.240 -5.112 811 HB3 ALA 104 HB3 ALA 104 15.306 -5.211 -5.786 Start of MODEL 5 1 HA SER 1 HA SER 1 6.996 10.473 -1.487 2 HB2 SER 1 HB2 SER 1 6.902 11.153 -4.403 3 HB3 SER 1 HB3 SER 1 5.638 11.768 -3.339 4 HG SER 1 HG SER 1 7.064 13.282 -2.984 5 H VAL 2 HN VAL 2 5.730 8.852 -0.615 6 HA VAL 2 HA VAL 2 3.972 7.191 -2.033 7 HB VAL 2 HB VAL 2 3.585 8.104 0.826 8 HG11 VAL 2 HG11 VAL 2 2.717 5.702 0.971 9 HG12 VAL 2 HG12 VAL 2 1.697 6.883 0.148 10 HG13 VAL 2 HG13 VAL 2 2.666 5.745 -0.791 11 HG21 VAL 2 HG21 VAL 2 5.658 6.422 -0.402 12 HG22 VAL 2 HG22 VAL 2 5.658 7.290 1.133 13 HG23 VAL 2 HG23 VAL 2 4.862 5.721 1.008 14 H LYS 3 HN LYS 3 1.874 7.392 -2.676 15 HA LYS 3 HA LYS 3 0.779 10.104 -2.670 16 HB2 LYS 3 HB2 LYS 3 1.000 8.230 -4.669 17 HB3 LYS 3 HB3 LYS 3 -0.692 8.100 -4.198 18 HG2 LYS 3 HG2 LYS 3 0.000 10.830 -4.327 19 HG3 LYS 3 HG3 LYS 3 0.522 10.042 -5.804 20 HD2 LYS 3 HD2 LYS 3 -2.206 9.487 -4.741 21 HD3 LYS 3 HD3 LYS 3 -1.910 11.006 -5.589 22 HE2 LYS 3 HE2 LYS 3 -2.070 9.966 -7.541 23 HE3 LYS 3 HE3 LYS 3 -0.747 8.889 -7.095 24 HZ1 LYS 3 HZ1 LYS 3 -2.441 7.414 -7.445 25 HZ2 LYS 3 HZ2 LYS 3 -3.643 8.460 -6.880 26 HZ3 LYS 3 HZ3 LYS 3 -2.620 7.679 -5.784 27 H ILE 4 HN ILE 4 -1.158 10.659 -1.896 28 HA ILE 4 HA ILE 4 -2.680 8.579 -0.454 29 HB ILE 4 HB ILE 4 -2.485 11.482 0.359 30 HG12 ILE 4 HG12 ILE 4 -1.073 9.055 1.492 31 HG13 ILE 4 HG13 ILE 4 -0.314 10.407 0.658 32 HG21 ILE 4 HG21 ILE 4 -3.353 9.351 2.220 33 HG22 ILE 4 HG22 ILE 4 -3.905 11.019 2.066 34 HG23 ILE 4 HG23 ILE 4 -4.473 9.793 0.931 35 HD11 ILE 4 HD11 ILE 4 -0.556 10.145 3.357 36 HD12 ILE 4 HD12 ILE 4 -0.276 11.661 2.501 37 HD13 ILE 4 HD13 ILE 4 -1.914 11.200 2.965 38 H VAL 5 HN VAL 5 -4.504 8.205 -1.558 39 HA VAL 5 HA VAL 5 -5.695 10.306 -3.147 40 HB VAL 5 HB VAL 5 -6.689 8.685 -4.355 41 HG11 VAL 5 HG11 VAL 5 -4.203 8.150 -4.020 42 HG12 VAL 5 HG12 VAL 5 -4.783 6.770 -3.085 43 HG13 VAL 5 HG13 VAL 5 -5.232 6.938 -4.779 44 HG21 VAL 5 HG21 VAL 5 -8.195 7.884 -2.607 45 HG22 VAL 5 HG22 VAL 5 -7.524 6.531 -3.512 46 HG23 VAL 5 HG23 VAL 5 -6.892 6.926 -1.915 47 H THR 6 HN THR 6 -8.046 10.714 -3.045 48 HA THR 6 HA THR 6 -9.095 10.389 -0.310 49 HB THR 6 HB THR 6 -8.442 12.695 -0.596 50 HG1 THR 6 HG1 THR 6 -10.479 13.634 -0.176 51 HG21 THR 6 HG21 THR 6 -10.190 12.638 -3.058 52 HG22 THR 6 HG22 THR 6 -9.514 14.101 -2.341 53 HG23 THR 6 HG23 THR 6 -8.442 12.869 -3.007 54 H SER 7 HN SER 7 -9.586 9.160 -3.214 55 HA SER 7 HA SER 7 -12.509 9.156 -2.880 56 HB2 SER 7 HB2 SER 7 -11.323 10.421 -4.979 57 HB3 SER 7 HB3 SER 7 -11.540 8.803 -5.646 58 HG SER 7 HG SER 7 -13.427 10.704 -4.930 59 H GLN 8 HN GLN 8 -13.583 7.243 -3.577 60 HA GLN 8 HA GLN 8 -12.133 4.865 -2.983 61 HB2 GLN 8 HB2 GLN 8 -14.275 4.479 -2.361 62 HB3 GLN 8 HB3 GLN 8 -14.930 5.605 -3.535 63 HG2 GLN 8 HG2 GLN 8 -15.712 3.352 -3.932 64 HG3 GLN 8 HG3 GLN 8 -14.749 3.940 -5.280 65 HE21 GLN 8 HE21 GLN 8 -12.908 3.128 -2.541 66 HE22 GLN 8 HE22 GLN 8 -12.364 1.591 -3.077 67 H SER 9 HN SER 9 -13.608 6.078 -5.976 68 HA SER 9 HA SER 9 -12.767 3.952 -7.616 69 HB2 SER 9 HB2 SER 9 -13.020 5.763 -9.467 70 HB3 SER 9 HB3 SER 9 -14.453 5.291 -8.553 71 HG SER 9 HG SER 9 -14.529 7.211 -7.667 72 H GLU 10 HN GLU 10 -11.233 6.927 -6.576 73 HA GLU 10 HA GLU 10 -9.075 6.960 -8.361 74 HB2 GLU 10 HB2 GLU 10 -9.850 8.707 -6.578 75 HB3 GLU 10 HB3 GLU 10 -8.764 7.831 -5.508 76 HG2 GLU 10 HG2 GLU 10 -7.113 9.083 -6.277 77 HG3 GLU 10 HG3 GLU 10 -7.293 8.274 -7.833 78 H PHE 11 HN PHE 11 -9.511 5.327 -5.244 79 HA PHE 11 HA PHE 11 -6.871 4.317 -5.040 80 HB2 PHE 11 HB2 PHE 11 -8.000 4.157 -3.028 81 HB3 PHE 11 HB3 PHE 11 -9.516 3.731 -3.787 82 HD1 PHE 11 HD1 PHE 11 -6.098 2.229 -3.579 83 HD2 PHE 11 HD2 PHE 11 -10.289 1.712 -3.189 84 HE1 PHE 11 HE1 PHE 11 -5.748 -0.117 -2.940 85 HE2 PHE 11 HE2 PHE 11 -9.961 -0.632 -2.546 86 HZ PHE 11 HZ PHE 11 -7.691 -1.547 -2.405 87 H ASP 12 HN ASP 12 -9.893 2.861 -6.131 88 HA ASP 12 HA ASP 12 -8.743 0.417 -6.998 89 HB2 ASP 12 HB2 ASP 12 -11.317 1.831 -7.581 90 HB3 ASP 12 HB3 ASP 12 -10.925 0.319 -8.376 91 H SER 13 HN SER 13 -9.117 3.543 -8.476 92 HA SER 13 HA SER 13 -8.803 2.761 -11.168 93 HB2 SER 13 HB2 SER 13 -9.679 4.973 -10.511 94 HB3 SER 13 HB3 SER 13 -8.095 5.406 -9.879 95 HG SER 13 HG SER 13 -8.067 6.202 -11.893 96 H ILE 14 HN ILE 14 -6.513 3.857 -8.702 97 HA ILE 14 HA ILE 14 -4.235 3.873 -10.364 98 HB ILE 14 HB ILE 14 -4.518 3.351 -7.400 99 HG12 ILE 14 HG12 ILE 14 -3.216 5.817 -8.282 100 HG13 ILE 14 HG13 ILE 14 -4.863 5.673 -8.887 101 HG21 ILE 14 HG21 ILE 14 -2.006 3.863 -9.000 102 HG22 ILE 14 HG22 ILE 14 -2.103 3.832 -7.239 103 HG23 ILE 14 HG23 ILE 14 -2.436 2.370 -8.167 104 HD11 ILE 14 HD11 ILE 14 -5.346 5.031 -6.378 105 HD12 ILE 14 HD12 ILE 14 -3.877 5.969 -6.114 106 HD13 ILE 14 HD13 ILE 14 -5.263 6.709 -6.914 107 H ILE 15 HN ILE 15 -5.822 1.363 -8.551 108 HA ILE 15 HA ILE 15 -3.882 -0.639 -8.654 109 HB ILE 15 HB ILE 15 -6.857 -1.152 -8.754 110 HG12 ILE 15 HG12 ILE 15 -6.387 0.539 -7.057 111 HG13 ILE 15 HG13 ILE 15 -6.754 -0.985 -6.313 112 HG21 ILE 15 HG21 ILE 15 -5.398 -2.781 -6.922 113 HG22 ILE 15 HG22 ILE 15 -6.295 -3.270 -8.367 114 HG23 ILE 15 HG23 ILE 15 -4.593 -2.833 -8.499 115 HD11 ILE 15 HD11 ILE 15 -4.210 -1.342 -6.315 116 HD12 ILE 15 HD12 ILE 15 -4.159 0.413 -6.502 117 HD13 ILE 15 HD13 ILE 15 -4.952 -0.300 -5.095 118 H SER 16 HN SER 16 -6.448 0.105 -10.991 119 HA SER 16 HA SER 16 -5.684 -2.077 -12.733 120 HB2 SER 16 HB2 SER 16 -7.953 -0.232 -12.503 121 HB3 SER 16 HB3 SER 16 -7.528 -0.667 -14.158 122 HG SER 16 HG SER 16 -8.860 -2.110 -12.391 123 H GLN 17 HN GLN 17 -5.011 1.329 -12.617 124 HA GLN 17 HA GLN 17 -4.369 1.550 -15.420 125 HB2 GLN 17 HB2 GLN 17 -4.827 3.330 -13.249 126 HB3 GLN 17 HB3 GLN 17 -3.327 3.765 -14.040 127 HG2 GLN 17 HG2 GLN 17 -5.518 4.817 -14.835 128 HG3 GLN 17 HG3 GLN 17 -4.368 4.247 -16.028 129 HE21 GLN 17 HE21 GLN 17 -7.431 3.663 -14.476 130 HE22 GLN 17 HE22 GLN 17 -8.040 2.546 -15.644 131 H ASN 18 HN ASN 18 -2.698 -0.131 -13.366 132 HA ASN 18 HA ASN 18 -0.167 0.496 -14.620 133 HB2 ASN 18 HB2 ASN 18 -0.420 0.452 -11.610 134 HB3 ASN 18 HB3 ASN 18 1.060 0.697 -12.527 135 HD21 ASN 18 HD21 ASN 18 -2.048 2.073 -11.697 136 HD22 ASN 18 HD22 ASN 18 -1.628 3.712 -12.046 137 H GLU 19 HN GLU 19 1.426 -1.172 -14.405 138 HA GLU 19 HA GLU 19 0.318 -3.790 -14.445 139 HB2 GLU 19 HB2 GLU 19 2.405 -2.876 -15.679 140 HB3 GLU 19 HB3 GLU 19 3.258 -3.217 -14.180 141 HG2 GLU 19 HG2 GLU 19 2.255 -5.580 -14.409 142 HG3 GLU 19 HG3 GLU 19 1.964 -5.121 -16.086 143 H LEU 20 HN LEU 20 2.483 -2.141 -12.127 144 HA LEU 20 HA LEU 20 1.578 -4.113 -10.148 145 HB2 LEU 20 HB2 LEU 20 4.058 -4.196 -11.067 146 HB3 LEU 20 HB3 LEU 20 4.279 -2.872 -9.948 147 HG LEU 20 HG LEU 20 4.177 -4.207 -8.112 148 HD11 LEU 20 HD11 LEU 20 1.956 -5.004 -8.229 149 HD12 LEU 20 HD12 LEU 20 2.306 -5.994 -9.647 150 HD13 LEU 20 HD13 LEU 20 2.981 -6.429 -8.078 151 HD21 LEU 20 HD21 LEU 20 4.785 -6.664 -9.481 152 HD22 LEU 20 HD22 LEU 20 5.589 -5.300 -10.257 153 HD23 LEU 20 HD23 LEU 20 5.839 -5.610 -8.542 154 H VAL 21 HN VAL 21 0.759 -3.239 -8.352 155 HA VAL 21 HA VAL 21 1.405 -0.441 -7.773 156 HB VAL 21 HB VAL 21 -1.439 -1.420 -7.583 157 HG11 VAL 21 HG11 VAL 21 -0.409 0.646 -6.340 158 HG12 VAL 21 HG12 VAL 21 -0.589 1.416 -7.917 159 HG13 VAL 21 HG13 VAL 21 -2.000 0.748 -7.096 160 HG21 VAL 21 HG21 VAL 21 -1.297 -1.519 -9.852 161 HG22 VAL 21 HG22 VAL 21 -1.572 0.214 -9.678 162 HG23 VAL 21 HG23 VAL 21 0.063 -0.400 -9.928 163 H ILE 22 HN ILE 22 2.004 -0.133 -5.759 164 HA ILE 22 HA ILE 22 1.046 -2.129 -3.794 165 HB ILE 22 HB ILE 22 3.400 -2.327 -3.910 166 HG12 ILE 22 HG12 ILE 22 4.015 -1.001 -1.627 167 HG13 ILE 22 HG13 ILE 22 2.261 -0.977 -1.537 168 HG21 ILE 22 HG21 ILE 22 4.425 -0.611 -4.918 169 HG22 ILE 22 HG22 ILE 22 3.319 0.584 -4.240 170 HG23 ILE 22 HG23 ILE 22 4.660 -0.025 -3.271 171 HD11 ILE 22 HD11 ILE 22 2.927 -2.892 -0.375 172 HD12 ILE 22 HD12 ILE 22 2.356 -3.476 -1.937 173 HD13 ILE 22 HD13 ILE 22 4.087 -3.349 -1.623 174 H VAL 23 HN VAL 23 -0.239 -1.447 -2.326 175 HA VAL 23 HA VAL 23 -0.263 1.393 -1.592 176 HB VAL 23 HB VAL 23 -2.107 1.058 -3.159 177 HG11 VAL 23 HG11 VAL 23 -4.030 -0.426 -2.155 178 HG12 VAL 23 HG12 VAL 23 -2.759 -1.129 -3.152 179 HG13 VAL 23 HG13 VAL 23 -2.680 -1.264 -1.395 180 HG21 VAL 23 HG21 VAL 23 -3.125 1.317 -0.331 181 HG22 VAL 23 HG22 VAL 23 -2.373 2.615 -1.259 182 HG23 VAL 23 HG23 VAL 23 -3.906 1.923 -1.791 183 H ASP 24 HN ASP 24 -0.674 1.815 0.518 184 HA ASP 24 HA ASP 24 -0.853 -0.557 2.238 185 HB2 ASP 24 HB2 ASP 24 0.084 0.979 4.010 186 HB3 ASP 24 HB3 ASP 24 1.179 0.575 2.696 187 H PHE 25 HN PHE 25 -2.783 -0.880 3.017 188 HA PHE 25 HA PHE 25 -4.632 1.329 3.480 189 HB2 PHE 25 HB2 PHE 25 -4.941 -1.635 4.112 190 HB3 PHE 25 HB3 PHE 25 -6.231 -0.442 4.001 191 HD1 PHE 25 HD2 PHE 25 -6.379 0.797 1.676 192 HD2 PHE 25 HD1 PHE 25 -4.538 -2.985 2.278 193 HE1 PHE 25 HE2 PHE 25 -6.617 0.307 -0.716 194 HE2 PHE 25 HE1 PHE 25 -4.762 -3.489 -0.121 195 HZ PHE 25 HZ PHE 25 -5.799 -1.844 -1.647 196 H PHE 26 HN PHE 26 -4.198 2.459 5.264 197 HA PHE 26 HA PHE 26 -3.223 0.920 7.494 198 HB2 PHE 26 HB2 PHE 26 -1.560 2.769 8.005 199 HB3 PHE 26 HB3 PHE 26 -1.363 2.187 6.354 200 HD1 PHE 26 HD2 PHE 26 -2.932 3.521 4.610 201 HD2 PHE 26 HD1 PHE 26 -1.436 5.078 8.288 202 HE1 PHE 26 HE2 PHE 26 -3.234 5.807 3.750 203 HE2 PHE 26 HE1 PHE 26 -1.722 7.361 7.428 204 HZ PHE 26 HZ PHE 26 -2.609 7.736 5.166 205 H ALA 27 HN ALA 27 -3.335 3.191 9.839 206 HA ALA 27 HA ALA 27 -5.621 4.829 9.199 207 HB1 ALA 27 HB1 ALA 27 -6.734 2.795 9.985 208 HB2 ALA 27 HB2 ALA 27 -5.680 2.686 11.385 209 HB3 ALA 27 HB3 ALA 27 -6.876 4.000 11.268 210 H GLU 28 HN GLU 28 -5.449 6.739 10.164 211 HA GLU 28 HA GLU 28 -3.058 8.001 10.835 212 HB2 GLU 28 HB2 GLU 28 -5.350 8.849 10.343 213 HB3 GLU 28 HB3 GLU 28 -5.689 8.792 12.070 214 HG2 GLU 28 HG2 GLU 28 -3.283 9.991 12.045 215 HG3 GLU 28 HG3 GLU 28 -3.970 10.589 10.537 216 H TRP 29 HN TRP 29 -4.292 5.764 13.877 217 HA TRP 29 HA TRP 29 -3.291 8.107 15.958 218 HB2 TRP 29 HB2 TRP 29 -5.099 6.608 17.310 219 HB3 TRP 29 HB3 TRP 29 -5.707 7.755 16.150 220 HD1 TRP 29 HD1 TRP 29 -8.020 6.610 14.372 221 HE1 TRP 29 HE1 TRP 29 -8.681 4.185 14.057 222 HE3 TRP 29 HE3 TRP 29 -4.679 4.098 17.685 223 HZ2 TRP 29 HZ2 TRP 29 -8.111 1.655 15.011 224 HZ3 TRP 29 HZ3 TRP 29 -4.952 1.672 17.873 225 HH2 TRP 29 HH2 TRP 29 -6.657 0.484 16.599 226 H CYS 30 HN CYS 30 -1.939 4.891 14.253 227 HA CYS 30 HA CYS 30 -1.114 4.095 16.969 228 HB2 CYS 30 HB2 CYS 30 -1.008 1.943 16.169 229 HB3 CYS 30 HB3 CYS 30 -2.285 2.587 15.148 230 H GLY 31 HN GLY 31 1.135 3.351 17.199 231 HA2 GLY 31 HA2 GLY 31 2.965 5.335 16.333 232 HA3 GLY 31 HA3 GLY 31 3.373 3.870 17.206 233 HA PRO 32 HA PRO 32 4.903 1.815 13.559 234 HB2 PRO 32 HB2 PRO 32 3.165 -0.113 12.754 235 HB3 PRO 32 HB3 PRO 32 4.219 -0.274 14.161 236 HG2 PRO 32 HG2 PRO 32 1.336 0.507 14.030 237 HG3 PRO 32 HG3 PRO 32 2.111 -0.597 15.152 238 HD2 PRO 32 HD2 PRO 32 1.514 1.898 15.870 239 HD3 PRO 32 HD3 PRO 32 2.997 1.111 16.441 240 H CYS 33 HN CYS 33 1.646 3.038 13.266 241 HA CYS 33 HA CYS 33 1.251 2.734 10.520 242 HB2 CYS 33 HB2 CYS 33 0.315 4.936 12.389 243 HB3 CYS 33 HB3 CYS 33 -0.310 4.678 10.769 244 H LYS 34 HN LYS 34 2.452 5.561 12.316 245 HA LYS 34 HA LYS 34 3.349 6.963 9.995 246 HB2 LYS 34 HB2 LYS 34 2.762 7.767 12.468 247 HB3 LYS 34 HB3 LYS 34 4.497 7.575 12.669 248 HG2 LYS 34 HG2 LYS 34 4.862 9.518 11.678 249 HG3 LYS 34 HG3 LYS 34 3.997 8.981 10.237 250 HD2 LYS 34 HD2 LYS 34 2.132 10.116 10.787 251 HD3 LYS 34 HD3 LYS 34 2.274 9.712 12.499 252 HE2 LYS 34 HE2 LYS 34 4.168 11.665 11.260 253 HE3 LYS 34 HE3 LYS 34 2.545 12.183 11.715 254 HZ1 LYS 34 HZ1 LYS 34 4.788 11.864 13.359 255 HZ2 LYS 34 HZ2 LYS 34 3.630 10.732 13.848 256 HZ3 LYS 34 HZ3 LYS 34 3.235 12.375 13.794 257 H ARG 35 HN ARG 35 4.791 4.818 12.295 258 HA ARG 35 HA ARG 35 7.493 5.279 11.835 259 HB2 ARG 35 HB2 ARG 35 5.889 3.413 13.317 260 HB3 ARG 35 HB3 ARG 35 7.259 2.590 12.584 261 HG2 ARG 35 HG2 ARG 35 8.675 4.490 13.551 262 HG3 ARG 35 HG3 ARG 35 7.260 4.859 14.539 263 HD2 ARG 35 HD2 ARG 35 7.475 2.179 14.908 264 HD3 ARG 35 HD3 ARG 35 9.168 2.632 14.715 265 HE ARG 35 HE ARG 35 7.632 4.236 16.579 266 HH11 ARG 35 HH11 ARG 35 9.798 1.530 16.143 267 HH12 ARG 35 HH12 ARG 35 10.338 1.541 17.787 268 HH21 ARG 35 HH21 ARG 35 8.343 4.246 18.739 269 HH22 ARG 35 HH22 ARG 35 9.513 3.080 19.260 270 H ILE 36 HN ILE 36 5.261 3.372 9.963 271 HA ILE 36 HA ILE 36 7.378 1.929 8.664 272 HB ILE 36 HB ILE 36 5.065 1.004 9.036 273 HG12 ILE 36 HG12 ILE 36 5.090 -0.313 7.033 274 HG13 ILE 36 HG13 ILE 36 5.908 0.957 6.135 275 HG21 ILE 36 HG21 ILE 36 3.831 3.006 8.309 276 HG22 ILE 36 HG22 ILE 36 4.335 2.680 6.652 277 HG23 ILE 36 HG23 ILE 36 3.304 1.528 7.504 278 HD11 ILE 36 HD11 ILE 36 7.943 0.465 7.069 279 HD12 ILE 36 HD12 ILE 36 7.226 -0.297 8.489 280 HD13 ILE 36 HD13 ILE 36 7.196 -1.126 6.934 281 H ALA 37 HN ALA 37 5.880 4.960 8.337 282 HA ALA 37 HA ALA 37 5.921 5.424 5.583 283 HB1 ALA 37 HB1 ALA 37 5.265 7.496 6.120 284 HB2 ALA 37 HB2 ALA 37 5.128 6.831 7.747 285 HB3 ALA 37 HB3 ALA 37 6.574 7.726 7.280 286 HA PRO 38 HA PRO 38 10.381 7.458 6.442 287 HB2 PRO 38 HB2 PRO 38 11.231 5.353 8.377 288 HB3 PRO 38 HB3 PRO 38 11.670 7.064 8.310 289 HG2 PRO 38 HG2 PRO 38 9.918 6.173 10.110 290 HG3 PRO 38 HG3 PRO 38 9.701 7.746 9.321 291 HD2 PRO 38 HD2 PRO 38 8.266 5.181 8.855 292 HD3 PRO 38 HD3 PRO 38 7.670 6.844 8.739 293 H PHE 39 HN PHE 39 10.014 3.922 6.891 294 HA PHE 39 HA PHE 39 12.128 3.365 5.012 295 HB2 PHE 39 HB2 PHE 39 11.602 1.806 6.858 296 HB3 PHE 39 HB3 PHE 39 10.035 1.486 6.112 297 HD1 PHE 39 HD2 PHE 39 13.664 1.020 5.795 298 HD2 PHE 39 HD1 PHE 39 9.844 0.119 4.153 299 HE1 PHE 39 HE2 PHE 39 14.685 -0.698 4.361 300 HE2 PHE 39 HE1 PHE 39 10.856 -1.593 2.717 301 HZ PHE 39 HZ PHE 39 13.277 -1.998 2.815 302 H TYR 40 HN TYR 40 8.687 3.661 5.035 303 HA TYR 40 HA TYR 40 8.045 2.460 2.604 304 HB2 TYR 40 HB2 TYR 40 6.629 3.646 4.568 305 HB3 TYR 40 HB3 TYR 40 6.581 4.928 3.346 306 HD1 TYR 40 HD1 TYR 40 6.612 1.303 2.576 307 HD2 TYR 40 HD2 TYR 40 4.252 4.824 2.922 308 HE1 TYR 40 HE1 TYR 40 4.743 0.144 1.483 309 HE2 TYR 40 HE2 TYR 40 2.374 3.681 1.836 310 HH TYR 40 HH TYR 40 2.423 0.264 1.178 311 H GLU 41 HN GLU 41 9.291 5.618 3.434 312 HA GLU 41 HA GLU 41 9.012 6.775 0.841 313 HB2 GLU 41 HB2 GLU 41 9.824 8.653 1.800 314 HB3 GLU 41 HB3 GLU 41 9.602 7.774 3.304 315 HG2 GLU 41 HG2 GLU 41 11.974 7.025 3.133 316 HG3 GLU 41 HG3 GLU 41 12.152 8.087 1.738 317 H GLU 42 HN GLU 42 11.534 4.956 2.475 318 HA GLU 42 HA GLU 42 13.618 5.349 0.649 319 HB2 GLU 42 HB2 GLU 42 13.046 2.972 2.425 320 HB3 GLU 42 HB3 GLU 42 14.573 3.270 1.607 321 HG2 GLU 42 HG2 GLU 42 13.375 5.233 3.533 322 HG3 GLU 42 HG3 GLU 42 14.426 3.916 4.050 323 H CYS 43 HN CYS 43 11.236 2.722 0.862 324 HA CYS 43 HA CYS 43 12.108 1.246 -1.363 325 HB2 CYS 43 HB2 CYS 43 9.479 0.598 -1.279 326 HB3 CYS 43 HB3 CYS 43 10.666 -0.069 -0.178 327 HG CYS 43 HG CYS 43 7.932 1.454 0.521 328 H SER 44 HN SER 44 9.939 3.975 -1.108 329 HA SER 44 HA SER 44 8.861 3.822 -3.716 330 HB2 SER 44 HB2 SER 44 7.874 5.894 -3.248 331 HB3 SER 44 HB3 SER 44 8.040 5.148 -1.659 332 HG SER 44 HG SER 44 9.999 6.370 -1.435 333 H LYS 45 HN LYS 45 11.894 5.011 -2.548 334 HA LYS 45 HA LYS 45 12.386 6.716 -4.814 335 HB2 LYS 45 HB2 LYS 45 13.491 6.274 -2.191 336 HB3 LYS 45 HB3 LYS 45 14.761 6.362 -3.396 337 HG2 LYS 45 HG2 LYS 45 13.266 8.464 -4.141 338 HG3 LYS 45 HG3 LYS 45 12.933 8.442 -2.410 339 HD2 LYS 45 HD2 LYS 45 15.747 8.236 -3.408 340 HD3 LYS 45 HD3 LYS 45 14.954 9.809 -3.299 341 HE2 LYS 45 HE2 LYS 45 14.401 9.195 -0.898 342 HE3 LYS 45 HE3 LYS 45 15.531 7.855 -1.086 343 HZ1 LYS 45 HZ1 LYS 45 16.179 10.736 -1.414 344 HZ2 LYS 45 HZ2 LYS 45 17.267 9.459 -1.626 345 HZ3 LYS 45 HZ3 LYS 45 16.612 9.764 -0.097 346 H THR 46 HN THR 46 13.348 3.448 -3.881 347 HA THR 46 HA THR 46 15.251 3.323 -6.108 348 HB THR 46 HB THR 46 14.962 1.955 -3.530 349 HG1 THR 46 HG1 THR 46 16.901 2.822 -3.714 350 HG21 THR 46 HG21 THR 46 14.302 0.030 -4.799 351 HG22 THR 46 HG22 THR 46 15.574 0.311 -5.990 352 HG23 THR 46 HG23 THR 46 15.996 -0.180 -4.350 353 H TYR 47 HN TYR 47 12.543 1.617 -4.737 354 HA TYR 47 HA TYR 47 12.170 -0.161 -6.889 355 HB2 TYR 47 HB2 TYR 47 10.169 0.515 -4.742 356 HB3 TYR 47 HB3 TYR 47 10.211 -0.930 -5.739 357 HD1 TYR 47 HD2 TYR 47 12.792 -2.050 -5.559 358 HD2 TYR 47 HD1 TYR 47 10.680 0.110 -2.610 359 HE1 TYR 47 HE2 TYR 47 14.064 -3.214 -3.802 360 HE2 TYR 47 HE1 TYR 47 11.900 -1.041 -0.816 361 HH TYR 47 HH TYR 47 14.206 -2.200 -0.652 362 H THR 48 HN THR 48 11.926 2.894 -7.333 363 HA THR 48 HA THR 48 9.386 3.736 -7.722 364 HB THR 48 HB THR 48 10.251 5.305 -9.416 365 HG1 THR 48 HG1 THR 48 11.793 3.737 -10.306 366 HG21 THR 48 HG21 THR 48 12.202 6.136 -7.894 367 HG22 THR 48 HG22 THR 48 10.550 6.128 -7.275 368 HG23 THR 48 HG23 THR 48 11.668 4.840 -6.823 369 H LYS 49 HN LYS 49 10.398 1.006 -9.339 370 HA LYS 49 HA LYS 49 9.138 1.564 -11.869 371 HB2 LYS 49 HB2 LYS 49 9.511 -1.242 -10.928 372 HB3 LYS 49 HB3 LYS 49 9.769 -0.546 -12.513 373 HG2 LYS 49 HG2 LYS 49 11.939 -0.514 -12.133 374 HG3 LYS 49 HG3 LYS 49 11.675 0.644 -10.830 375 HD2 LYS 49 HD2 LYS 49 11.972 -0.910 -9.226 376 HD3 LYS 49 HD3 LYS 49 11.104 -2.152 -10.131 377 HE2 LYS 49 HE2 LYS 49 13.159 -3.063 -10.329 378 HE3 LYS 49 HE3 LYS 49 13.310 -1.913 -11.655 379 HZ1 LYS 49 HZ1 LYS 49 14.376 -0.361 -10.137 380 HZ2 LYS 49 HZ2 LYS 49 15.225 -1.823 -10.193 381 HZ3 LYS 49 HZ3 LYS 49 14.235 -1.472 -8.867 382 H MET 50 HN MET 50 8.235 0.639 -8.723 383 HA MET 50 HA MET 50 5.544 -0.358 -9.442 384 HB2 MET 50 HB2 MET 50 7.430 -1.007 -7.465 385 HB3 MET 50 HB3 MET 50 6.198 -0.125 -6.598 386 HG2 MET 50 HG2 MET 50 4.926 -1.933 -6.553 387 HG3 MET 50 HG3 MET 50 4.974 -2.041 -8.303 388 HE1 MET 50 HE1 MET 50 7.660 -4.490 -9.167 389 HE2 MET 50 HE2 MET 50 7.984 -2.759 -9.108 390 HE3 MET 50 HE3 MET 50 6.424 -3.347 -9.684 391 H VAL 51 HN VAL 51 3.681 0.760 -8.708 392 HA VAL 51 HA VAL 51 4.189 3.572 -8.037 393 HB VAL 51 HB VAL 51 1.415 3.277 -8.195 394 HG11 VAL 51 HG11 VAL 51 3.332 4.207 -10.317 395 HG12 VAL 51 HG12 VAL 51 1.628 4.640 -10.177 396 HG13 VAL 51 HG13 VAL 51 2.774 5.163 -8.943 397 HG21 VAL 51 HG21 VAL 51 1.283 2.346 -10.586 398 HG22 VAL 51 HG22 VAL 51 2.798 1.536 -10.195 399 HG23 VAL 51 HG23 VAL 51 1.354 1.217 -9.239 400 H PHE 52 HN PHE 52 3.898 4.376 -6.089 401 HA PHE 52 HA PHE 52 2.684 2.622 -4.076 402 HB2 PHE 52 HB2 PHE 52 4.735 4.820 -3.812 403 HB3 PHE 52 HB3 PHE 52 3.962 4.062 -2.433 404 HD1 PHE 52 HD2 PHE 52 5.665 3.061 -5.538 405 HD2 PHE 52 HD1 PHE 52 5.166 2.385 -1.387 406 HE1 PHE 52 HE2 PHE 52 7.392 1.305 -5.637 407 HE2 PHE 52 HE1 PHE 52 6.896 0.626 -1.456 408 HZ PHE 52 HZ PHE 52 8.008 0.088 -3.588 409 H ILE 53 HN ILE 53 0.851 3.153 -3.172 410 HA ILE 53 HA ILE 53 0.143 6.004 -2.898 411 HB ILE 53 HB ILE 53 -2.196 5.568 -3.469 412 HG12 ILE 53 HG12 ILE 53 -1.679 3.020 -4.831 413 HG13 ILE 53 HG13 ILE 53 -1.638 2.922 -3.074 414 HG21 ILE 53 HG21 ILE 53 -1.923 5.802 -5.733 415 HG22 ILE 53 HG22 ILE 53 -0.289 6.147 -5.164 416 HG23 ILE 53 HG23 ILE 53 -0.677 4.557 -5.823 417 HD11 ILE 53 HD11 ILE 53 -3.900 3.773 -4.848 418 HD12 ILE 53 HD12 ILE 53 -3.842 2.429 -3.706 419 HD13 ILE 53 HD13 ILE 53 -3.884 4.089 -3.112 420 H LYS 54 HN LYS 54 -1.661 6.288 -1.297 421 HA LYS 54 HA LYS 54 -1.687 4.196 0.797 422 HB2 LYS 54 HB2 LYS 54 -0.914 7.088 0.998 423 HB3 LYS 54 HB3 LYS 54 -1.889 6.436 2.298 424 HG2 LYS 54 HG2 LYS 54 -0.211 5.029 3.029 425 HG3 LYS 54 HG3 LYS 54 0.630 5.041 1.481 426 HD2 LYS 54 HD2 LYS 54 1.994 6.428 2.669 427 HD3 LYS 54 HD3 LYS 54 0.864 7.609 2.004 428 HE2 LYS 54 HE2 LYS 54 1.012 8.185 4.260 429 HE3 LYS 54 HE3 LYS 54 -0.477 7.246 4.161 430 HZ1 LYS 54 HZ1 LYS 54 1.464 6.794 5.939 431 HZ2 LYS 54 HZ2 LYS 54 1.913 5.709 4.722 432 HZ3 LYS 54 HZ3 LYS 54 0.373 5.611 5.416 433 H VAL 55 HN VAL 55 -3.665 3.732 1.542 434 HA VAL 55 HA VAL 55 -5.786 5.698 1.132 435 HB VAL 55 HB VAL 55 -5.607 2.998 -0.058 436 HG11 VAL 55 HG11 VAL 55 -8.315 3.944 0.871 437 HG12 VAL 55 HG12 VAL 55 -7.943 2.472 -0.032 438 HG13 VAL 55 HG13 VAL 55 -7.402 2.645 1.640 439 HG21 VAL 55 HG21 VAL 55 -7.548 4.989 -1.013 440 HG22 VAL 55 HG22 VAL 55 -5.854 5.481 -1.030 441 HG23 VAL 55 HG23 VAL 55 -6.361 4.033 -1.901 442 H ASP 56 HN ASP 56 -6.649 6.174 2.967 443 HA ASP 56 HA ASP 56 -6.318 4.482 5.272 444 HB2 ASP 56 HB2 ASP 56 -6.983 6.356 6.544 445 HB3 ASP 56 HB3 ASP 56 -6.104 7.042 5.187 446 H VAL 57 HN VAL 57 -8.032 3.865 6.689 447 HA VAL 57 HA VAL 57 -10.262 2.778 5.223 448 HB VAL 57 HB VAL 57 -10.764 1.502 7.180 449 HG11 VAL 57 HG11 VAL 57 -7.860 1.758 6.523 450 HG12 VAL 57 HG12 VAL 57 -8.392 0.641 7.780 451 HG13 VAL 57 HG13 VAL 57 -8.989 0.460 6.130 452 HG21 VAL 57 HG21 VAL 57 -9.520 3.722 8.557 453 HG22 VAL 57 HG22 VAL 57 -10.619 2.488 9.174 454 HG23 VAL 57 HG23 VAL 57 -8.884 2.177 9.121 455 H ASP 58 HN ASP 58 -9.665 5.491 7.242 456 HA ASP 58 HA ASP 58 -12.310 5.819 8.237 457 HB2 ASP 58 HB2 ASP 58 -10.045 7.808 8.042 458 HB3 ASP 58 HB3 ASP 58 -11.525 8.040 8.967 459 H GLU 59 HN GLU 59 -10.494 7.344 5.601 460 HA GLU 59 HA GLU 59 -12.595 9.104 4.859 461 HB2 GLU 59 HB2 GLU 59 -10.006 9.149 4.340 462 HB3 GLU 59 HB3 GLU 59 -10.504 8.274 2.898 463 HG2 GLU 59 HG2 GLU 59 -11.530 10.071 1.989 464 HG3 GLU 59 HG3 GLU 59 -12.019 10.723 3.553 465 H VAL 60 HN VAL 60 -11.482 5.978 3.566 466 HA VAL 60 HA VAL 60 -14.045 5.815 2.126 467 HB VAL 60 HB VAL 60 -12.576 4.245 0.563 468 HG11 VAL 60 HG11 VAL 60 -12.923 7.222 0.440 469 HG12 VAL 60 HG12 VAL 60 -12.189 6.312 -0.881 470 HG13 VAL 60 HG13 VAL 60 -13.847 5.968 -0.386 471 HG21 VAL 60 HG21 VAL 60 -10.363 5.234 0.164 472 HG22 VAL 60 HG22 VAL 60 -10.604 6.310 1.542 473 HG23 VAL 60 HG23 VAL 60 -10.497 4.567 1.792 474 H SER 61 HN SER 61 -14.811 4.672 4.011 475 HA SER 61 HA SER 61 -13.674 2.298 4.988 476 HB2 SER 61 HB2 SER 61 -15.876 3.851 5.627 477 HB3 SER 61 HB3 SER 61 -16.599 2.340 5.075 478 HG SER 61 HG SER 61 -14.575 2.573 7.053 479 H GLU 62 HN GLU 62 -15.758 2.955 2.262 480 HA GLU 62 HA GLU 62 -16.673 0.389 1.691 481 HB2 GLU 62 HB2 GLU 62 -17.010 1.178 -0.576 482 HB3 GLU 62 HB3 GLU 62 -17.472 2.414 0.576 483 HG2 GLU 62 HG2 GLU 62 -15.331 3.552 0.183 484 HG3 GLU 62 HG3 GLU 62 -14.945 2.340 -1.041 485 H VAL 63 HN VAL 63 -13.614 1.901 1.120 486 HA VAL 63 HA VAL 63 -12.536 0.035 -0.712 487 HB VAL 63 HB VAL 63 -11.144 1.835 1.282 488 HG11 VAL 63 HG11 VAL 63 -9.316 1.337 -0.688 489 HG12 VAL 63 HG12 VAL 63 -9.343 0.570 0.899 490 HG13 VAL 63 HG13 VAL 63 -10.086 -0.235 -0.483 491 HG21 VAL 63 HG21 VAL 63 -10.958 3.427 -0.367 492 HG22 VAL 63 HG22 VAL 63 -11.128 2.258 -1.676 493 HG23 VAL 63 HG23 VAL 63 -12.539 2.740 -0.732 494 H THR 64 HN THR 64 -12.500 0.287 2.786 495 HA THR 64 HA THR 64 -10.803 -1.830 3.403 496 HB THR 64 HB THR 64 -13.190 -0.750 4.916 497 HG1 THR 64 HG1 THR 64 -10.421 -0.129 4.883 498 HG21 THR 64 HG21 THR 64 -12.589 -1.940 6.792 499 HG22 THR 64 HG22 THR 64 -12.173 -3.109 5.541 500 HG23 THR 64 HG23 THR 64 -10.913 -2.119 6.275 501 H GLU 65 HN GLU 65 -14.324 -1.791 2.938 502 HA GLU 65 HA GLU 65 -14.659 -4.568 3.474 503 HB2 GLU 65 HB2 GLU 65 -16.932 -4.280 2.726 504 HB3 GLU 65 HB3 GLU 65 -16.474 -2.902 3.716 505 HG2 GLU 65 HG2 GLU 65 -16.315 -1.482 1.859 506 HG3 GLU 65 HG3 GLU 65 -16.321 -2.830 0.723 507 H LYS 66 HN LYS 66 -14.092 -2.707 0.553 508 HA LYS 66 HA LYS 66 -14.785 -4.630 -1.347 509 HB2 LYS 66 HB2 LYS 66 -12.693 -2.456 -1.461 510 HB3 LYS 66 HB3 LYS 66 -13.214 -3.397 -2.853 511 HG2 LYS 66 HG2 LYS 66 -15.414 -2.180 -1.369 512 HG3 LYS 66 HG3 LYS 66 -14.280 -1.016 -2.057 513 HD2 LYS 66 HD2 LYS 66 -15.457 -3.274 -3.661 514 HD3 LYS 66 HD3 LYS 66 -16.241 -1.699 -3.521 515 HE2 LYS 66 HE2 LYS 66 -14.616 -0.629 -4.738 516 HE3 LYS 66 HE3 LYS 66 -13.372 -1.801 -4.308 517 HZ1 LYS 66 HZ1 LYS 66 -13.723 -2.518 -6.390 518 HZ2 LYS 66 HZ2 LYS 66 -15.266 -1.835 -6.499 519 HZ3 LYS 66 HZ3 LYS 66 -15.054 -3.321 -5.719 520 H GLU 67 HN GLU 67 -11.725 -4.137 0.373 521 HA GLU 67 HA GLU 67 -10.622 -6.489 -0.984 522 HB2 GLU 67 HB2 GLU 67 -9.323 -4.361 0.717 523 HB3 GLU 67 HB3 GLU 67 -8.473 -5.774 0.107 524 HG2 GLU 67 HG2 GLU 67 -9.719 -3.559 -1.499 525 HG3 GLU 67 HG3 GLU 67 -8.004 -3.929 -1.326 526 H ASN 68 HN ASN 68 -12.587 -6.256 1.466 527 HA ASN 68 HA ASN 68 -12.973 -7.378 3.416 528 HB2 ASN 68 HB2 ASN 68 -12.375 -9.216 1.570 529 HB3 ASN 68 HB3 ASN 68 -11.032 -9.511 2.671 530 HD21 ASN 68 HD21 ASN 68 -14.428 -9.764 2.166 531 HD22 ASN 68 HD22 ASN 68 -14.791 -10.672 3.591 532 H ILE 69 HN ILE 69 -11.134 -5.403 3.717 533 HA ILE 69 HA ILE 69 -8.684 -6.181 4.870 534 HB ILE 69 HB ILE 69 -10.281 -3.653 5.245 535 HG12 ILE 69 HG12 ILE 69 -9.565 -4.149 2.909 536 HG13 ILE 69 HG13 ILE 69 -8.841 -2.686 3.565 537 HG21 ILE 69 HG21 ILE 69 -7.762 -4.548 6.416 538 HG22 ILE 69 HG22 ILE 69 -7.689 -2.955 5.661 539 HG23 ILE 69 HG23 ILE 69 -8.870 -3.276 6.931 540 HD11 ILE 69 HD11 ILE 69 -6.782 -3.931 4.019 541 HD12 ILE 69 HD12 ILE 69 -7.513 -5.372 3.312 542 HD13 ILE 69 HD13 ILE 69 -7.218 -3.950 2.310 543 H THR 70 HN THR 70 -8.583 -7.517 6.553 544 HA THR 70 HA THR 70 -10.414 -7.064 8.805 545 HB THR 70 HB THR 70 -9.725 -9.417 9.447 546 HG1 THR 70 HG1 THR 70 -8.883 -9.533 6.735 547 HG21 THR 70 HG21 THR 70 -11.211 -8.961 6.864 548 HG22 THR 70 HG22 THR 70 -11.260 -10.453 7.804 549 HG23 THR 70 HG23 THR 70 -11.900 -8.958 8.488 550 H SER 71 HN SER 71 -6.999 -7.630 8.003 551 HA SER 71 HA SER 71 -6.315 -6.888 10.780 552 HB2 SER 71 HB2 SER 71 -4.725 -8.617 8.874 553 HB3 SER 71 HB3 SER 71 -4.277 -8.220 10.533 554 HG SER 71 HG SER 71 -5.823 -10.199 9.680 555 H MET 72 HN MET 72 -5.412 -4.946 10.978 556 HA MET 72 HA MET 72 -3.803 -3.869 8.745 557 HB2 MET 72 HB2 MET 72 -5.825 -2.629 10.532 558 HB3 MET 72 HB3 MET 72 -4.409 -1.658 10.170 559 HG2 MET 72 HG2 MET 72 -4.967 -2.304 7.693 560 HG3 MET 72 HG3 MET 72 -6.573 -2.585 8.354 561 HE1 MET 72 HE1 MET 72 -8.109 -0.265 9.518 562 HE2 MET 72 HE2 MET 72 -6.985 0.878 10.254 563 HE3 MET 72 HE3 MET 72 -6.832 -0.847 10.585 564 HA PRO 73 HA PRO 73 -2.657 -1.724 8.660 565 HB2 PRO 73 HB2 PRO 73 -0.052 -1.374 8.075 566 HB3 PRO 73 HB3 PRO 73 -0.840 -0.432 9.350 567 HG2 PRO 73 HG2 PRO 73 0.836 -2.904 9.592 568 HG3 PRO 73 HG3 PRO 73 0.944 -1.396 10.521 569 HD2 PRO 73 HD2 PRO 73 -0.314 -3.585 11.476 570 HD3 PRO 73 HD3 PRO 73 -0.876 -1.941 11.843 571 H THR 74 HN THR 74 -2.842 -2.479 6.587 572 HA THR 74 HA THR 74 -1.474 -5.011 5.965 573 HB THR 74 HB THR 74 -3.844 -4.326 4.364 574 HG1 THR 74 HG1 THR 74 -5.092 -5.255 6.299 575 HG21 THR 74 HG21 THR 74 -2.509 -6.490 4.353 576 HG22 THR 74 HG22 THR 74 -3.244 -6.829 5.921 577 HG23 THR 74 HG23 THR 74 -4.260 -6.648 4.490 578 H PHE 75 HN PHE 75 -0.160 -5.084 4.268 579 HA PHE 75 HA PHE 75 -0.155 -2.849 2.329 580 HB2 PHE 75 HB2 PHE 75 2.103 -4.569 3.350 581 HB3 PHE 75 HB3 PHE 75 2.246 -3.636 1.875 582 HD1 PHE 75 HD2 PHE 75 0.231 -1.865 4.171 583 HD2 PHE 75 HD1 PHE 75 4.290 -2.830 3.296 584 HE1 PHE 75 HE2 PHE 75 0.981 0.081 5.483 585 HE2 PHE 75 HE1 PHE 75 5.034 -0.891 4.619 586 HZ PHE 75 HZ PHE 75 3.387 0.564 5.705 587 H LYS 76 HN LYS 76 -0.925 -3.418 0.377 588 HA LYS 76 HA LYS 76 -0.609 -6.221 -0.477 589 HB2 LYS 76 HB2 LYS 76 -2.964 -4.561 -0.331 590 HB3 LYS 76 HB3 LYS 76 -2.696 -5.093 -1.978 591 HG2 LYS 76 HG2 LYS 76 -4.125 -6.656 -0.934 592 HG3 LYS 76 HG3 LYS 76 -2.540 -7.421 -1.097 593 HD2 LYS 76 HD2 LYS 76 -3.489 -7.830 1.112 594 HD3 LYS 76 HD3 LYS 76 -2.023 -6.849 1.203 595 HE2 LYS 76 HE2 LYS 76 -4.511 -5.316 0.955 596 HE3 LYS 76 HE3 LYS 76 -4.380 -6.256 2.440 597 HZ1 LYS 76 HZ1 LYS 76 -2.108 -5.230 2.667 598 HZ2 LYS 76 HZ2 LYS 76 -3.417 -4.196 2.908 599 HZ3 LYS 76 HZ3 LYS 76 -2.566 -4.144 1.458 600 H VAL 77 HN VAL 77 0.198 -6.651 -2.409 601 HA VAL 77 HA VAL 77 0.913 -4.362 -4.123 602 HB VAL 77 HB VAL 77 2.101 -7.150 -4.133 603 HG11 VAL 77 HG11 VAL 77 1.994 -6.005 -6.355 604 HG12 VAL 77 HG12 VAL 77 2.974 -4.706 -5.673 605 HG13 VAL 77 HG13 VAL 77 3.633 -6.339 -5.796 606 HG21 VAL 77 HG21 VAL 77 3.345 -4.534 -3.305 607 HG22 VAL 77 HG22 VAL 77 2.756 -5.766 -2.188 608 HG23 VAL 77 HG23 VAL 77 4.107 -6.124 -3.266 609 H TYR 78 HN TYR 78 -0.201 -4.140 -5.951 610 HA TYR 78 HA TYR 78 -1.881 -6.393 -6.779 611 HB2 TYR 78 HB2 TYR 78 -2.193 -3.431 -7.190 612 HB3 TYR 78 HB3 TYR 78 -3.252 -4.620 -7.905 613 HD1 TYR 78 HD2 TYR 78 -2.198 -3.012 -4.786 614 HD2 TYR 78 HD1 TYR 78 -4.914 -5.769 -6.549 615 HE1 TYR 78 HE2 TYR 78 -3.559 -2.976 -2.739 616 HE2 TYR 78 HE1 TYR 78 -6.281 -5.739 -4.509 617 HH TYR 78 HH TYR 78 -5.264 -4.714 -1.630 618 H LYS 79 HN LYS 79 -1.559 -7.356 -8.652 619 HA LYS 79 HA LYS 79 0.152 -6.034 -10.655 620 HB2 LYS 79 HB2 LYS 79 1.299 -7.931 -9.681 621 HB3 LYS 79 HB3 LYS 79 -0.101 -8.962 -9.937 622 HG2 LYS 79 HG2 LYS 79 0.512 -9.440 -12.010 623 HG3 LYS 79 HG3 LYS 79 0.801 -7.744 -12.399 624 HD2 LYS 79 HD2 LYS 79 2.956 -8.073 -10.970 625 HD3 LYS 79 HD3 LYS 79 2.685 -9.786 -11.291 626 HE2 LYS 79 HE2 LYS 79 2.568 -7.906 -13.586 627 HE3 LYS 79 HE3 LYS 79 4.150 -8.261 -12.894 628 HZ1 LYS 79 HZ1 LYS 79 4.043 -9.966 -14.343 629 HZ2 LYS 79 HZ2 LYS 79 2.353 -9.985 -14.395 630 HZ3 LYS 79 HZ3 LYS 79 3.166 -10.712 -13.103 631 H ASN 80 HN ASN 80 -0.676 -5.732 -12.584 632 HA ASN 80 HA ASN 80 -2.145 -5.661 -14.307 633 HB2 ASN 80 HB2 ASN 80 -2.172 -8.521 -13.479 634 HB3 ASN 80 HB3 ASN 80 -3.416 -7.983 -14.601 635 HD21 ASN 80 HD21 ASN 80 -0.178 -8.928 -14.242 636 HD22 ASN 80 HD22 ASN 80 0.339 -8.620 -15.860 637 H GLY 81 HN GLY 81 -3.046 -4.752 -11.739 638 HA2 GLY 81 HA2 GLY 81 -5.000 -3.813 -10.977 639 HA3 GLY 81 HA3 GLY 81 -5.833 -4.547 -12.334 640 H SER 82 HN SER 82 -3.975 -6.296 -9.858 641 HA SER 82 HA SER 82 -6.352 -7.003 -8.419 642 HB2 SER 82 HB2 SER 82 -5.406 -8.723 -10.584 643 HB3 SER 82 HB3 SER 82 -5.497 -9.571 -9.041 644 HG SER 82 HG SER 82 -7.685 -8.610 -8.911 645 H SER 83 HN SER 83 -5.849 -8.717 -6.725 646 HA SER 83 HA SER 83 -3.564 -7.834 -5.317 647 HB2 SER 83 HB2 SER 83 -4.261 -9.938 -3.850 648 HB3 SER 83 HB3 SER 83 -5.195 -8.446 -3.831 649 HG SER 83 HG SER 83 -5.756 -10.876 -5.142 650 H VAL 84 HN VAL 84 -1.562 -8.673 -5.113 651 HA VAL 84 HA VAL 84 -1.040 -11.219 -6.486 652 HB VAL 84 HB VAL 84 -0.214 -8.974 -7.512 653 HG11 VAL 84 HG11 VAL 84 1.557 -7.900 -6.693 654 HG12 VAL 84 HG12 VAL 84 1.001 -8.580 -5.169 655 HG13 VAL 84 HG13 VAL 84 2.301 -9.368 -6.055 656 HG21 VAL 84 HG21 VAL 84 0.341 -11.002 -8.558 657 HG22 VAL 84 HG22 VAL 84 1.878 -10.173 -8.311 658 HG23 VAL 84 HG23 VAL 84 1.402 -11.487 -7.236 659 H ASP 85 HN ASP 85 -0.245 -9.164 -3.741 660 HA ASP 85 HA ASP 85 0.633 -11.489 -2.264 661 HB2 ASP 85 HB2 ASP 85 2.664 -10.460 -3.463 662 HB3 ASP 85 HB3 ASP 85 2.489 -9.122 -2.333 663 H THR 86 HN THR 86 1.100 -10.859 0.079 664 HA THR 86 HA THR 86 -0.202 -8.392 0.857 665 HB THR 86 HB THR 86 -1.610 -9.627 2.504 666 HG1 THR 86 HG1 THR 86 -1.974 -11.890 1.933 667 HG21 THR 86 HG21 THR 86 -2.205 -8.899 0.015 668 HG22 THR 86 HG22 THR 86 -2.425 -10.641 -0.162 669 HG23 THR 86 HG23 THR 86 -3.362 -9.753 1.038 670 H LEU 87 HN LEU 87 0.596 -7.505 2.652 671 HA LEU 87 HA LEU 87 2.429 -9.112 4.301 672 HB2 LEU 87 HB2 LEU 87 4.071 -7.790 3.575 673 HB3 LEU 87 HB3 LEU 87 2.945 -6.751 2.736 674 HG LEU 87 HG LEU 87 2.598 -5.514 4.893 675 HD11 LEU 87 HD11 LEU 87 4.528 -7.551 5.796 676 HD12 LEU 87 HD12 LEU 87 4.762 -5.903 6.380 677 HD13 LEU 87 HD13 LEU 87 3.234 -6.734 6.675 678 HD21 LEU 87 HD21 LEU 87 4.617 -4.237 4.691 679 HD22 LEU 87 HD22 LEU 87 5.444 -5.590 3.919 680 HD23 LEU 87 HD23 LEU 87 4.124 -4.771 3.084 681 H LEU 88 HN LEU 88 1.761 -9.244 6.348 682 HA LEU 88 HA LEU 88 -0.280 -7.399 7.320 683 HB2 LEU 88 HB2 LEU 88 0.728 -10.086 8.134 684 HB3 LEU 88 HB3 LEU 88 0.008 -9.079 9.373 685 HG LEU 88 HG LEU 88 -1.707 -9.207 7.031 686 HD11 LEU 88 HD11 LEU 88 -2.158 -11.452 6.838 687 HD12 LEU 88 HD12 LEU 88 -0.403 -11.455 7.012 688 HD13 LEU 88 HD13 LEU 88 -1.427 -11.843 8.395 689 HD21 LEU 88 HD21 LEU 88 -3.202 -10.218 8.904 690 HD22 LEU 88 HD22 LEU 88 -1.892 -9.703 9.967 691 HD23 LEU 88 HD23 LEU 88 -2.737 -8.518 8.970 692 H GLY 89 HN GLY 89 -0.019 -5.971 8.970 693 HA2 GLY 89 HA2 GLY 89 1.072 -4.657 10.520 694 HA3 GLY 89 HA3 GLY 89 2.204 -5.987 10.752 695 H ALA 90 HN ALA 90 2.562 -2.962 10.351 696 HA ALA 90 HA ALA 90 3.963 -2.883 7.820 697 HB1 ALA 90 HB1 ALA 90 4.459 -0.613 9.521 698 HB2 ALA 90 HB2 ALA 90 3.676 -0.695 7.943 699 HB3 ALA 90 HB3 ALA 90 2.737 -0.974 9.410 700 H ASN 91 HN ASN 91 5.823 -3.863 7.700 701 HA ASN 91 HA ASN 91 7.823 -3.389 9.802 702 HB2 ASN 91 HB2 ASN 91 7.244 -5.891 8.223 703 HB3 ASN 91 HB3 ASN 91 8.814 -5.620 8.973 704 HD21 ASN 91 HD21 ASN 91 5.371 -5.383 9.807 705 HD22 ASN 91 HD22 ASN 91 5.532 -6.126 11.382 706 H ASP 92 HN ASP 92 9.691 -2.455 9.079 707 HA ASP 92 HA ASP 92 9.775 -1.447 6.434 708 HB2 ASP 92 HB2 ASP 92 12.154 -0.845 7.025 709 HB3 ASP 92 HB3 ASP 92 10.941 -0.265 8.162 710 H SER 93 HN SER 93 11.405 -4.139 8.053 711 HA SER 93 HA SER 93 12.975 -4.972 5.835 712 HB2 SER 93 HB2 SER 93 12.277 -6.834 8.064 713 HB3 SER 93 HB3 SER 93 13.815 -6.588 7.243 714 HG SER 93 HG SER 93 14.012 -5.651 9.228 715 H ALA 94 HN ALA 94 9.844 -6.023 7.098 716 HA ALA 94 HA ALA 94 9.674 -8.352 5.463 717 HB1 ALA 94 HB1 ALA 94 8.325 -7.646 7.624 718 HB2 ALA 94 HB2 ALA 94 7.197 -7.018 6.422 719 HB3 ALA 94 HB3 ALA 94 7.631 -8.727 6.416 720 H LEU 95 HN LEU 95 8.644 -5.054 5.134 721 HA LEU 95 HA LEU 95 7.227 -5.507 2.701 722 HB2 LEU 95 HB2 LEU 95 6.509 -3.575 3.695 723 HB3 LEU 95 HB3 LEU 95 8.104 -3.173 4.302 724 HG LEU 95 HG LEU 95 8.499 -2.907 1.636 725 HD11 LEU 95 HD11 LEU 95 6.252 -3.415 1.068 726 HD12 LEU 95 HD12 LEU 95 5.651 -2.153 2.150 727 HD13 LEU 95 HD13 LEU 95 6.581 -1.712 0.715 728 HD21 LEU 95 HD21 LEU 95 9.028 -0.832 2.205 729 HD22 LEU 95 HD22 LEU 95 7.391 -0.485 2.792 730 HD23 LEU 95 HD23 LEU 95 8.549 -1.300 3.849 731 H LYS 96 HN LYS 96 10.495 -4.764 3.678 732 HA LYS 96 HA LYS 96 11.602 -3.831 1.316 733 HB2 LYS 96 HB2 LYS 96 12.909 -3.839 3.338 734 HB3 LYS 96 HB3 LYS 96 12.759 -5.575 3.497 735 HG2 LYS 96 HG2 LYS 96 14.946 -5.206 2.755 736 HG3 LYS 96 HG3 LYS 96 14.060 -5.762 1.336 737 HD2 LYS 96 HD2 LYS 96 14.893 -3.970 0.300 738 HD3 LYS 96 HD3 LYS 96 13.741 -3.026 1.245 739 HE2 LYS 96 HE2 LYS 96 15.812 -1.983 1.607 740 HE3 LYS 96 HE3 LYS 96 15.542 -2.958 3.051 741 HZ1 LYS 96 HZ1 LYS 96 17.626 -3.639 2.615 742 HZ2 LYS 96 HZ2 LYS 96 17.549 -3.241 0.973 743 HZ3 LYS 96 HZ3 LYS 96 16.867 -4.688 1.525 744 H GLN 97 HN GLN 97 11.285 -7.154 2.496 745 HA GLN 97 HA GLN 97 12.293 -8.321 0.105 746 HB2 GLN 97 HB2 GLN 97 11.628 -10.451 1.048 747 HB3 GLN 97 HB3 GLN 97 12.413 -9.473 2.278 748 HG2 GLN 97 HG2 GLN 97 10.213 -8.890 3.196 749 HG3 GLN 97 HG3 GLN 97 9.448 -9.905 1.977 750 HE21 GLN 97 HE21 GLN 97 10.842 -9.781 5.050 751 HE22 GLN 97 HE22 GLN 97 10.864 -11.473 5.382 752 H LEU 98 HN LEU 98 9.064 -7.352 1.192 753 HA LEU 98 HA LEU 98 7.650 -8.886 -0.733 754 HB2 LEU 98 HB2 LEU 98 6.456 -8.087 1.149 755 HB3 LEU 98 HB3 LEU 98 6.997 -6.438 0.891 756 HG LEU 98 HG LEU 98 5.558 -7.406 -1.395 757 HD11 LEU 98 HD11 LEU 98 3.663 -7.098 0.835 758 HD12 LEU 98 HD12 LEU 98 3.583 -8.136 -0.589 759 HD13 LEU 98 HD13 LEU 98 4.566 -8.613 0.796 760 HD21 LEU 98 HD21 LEU 98 4.968 -5.263 -1.480 761 HD22 LEU 98 HD22 LEU 98 4.304 -5.302 0.153 762 HD23 LEU 98 HD23 LEU 98 6.028 -5.021 -0.092 763 H ILE 99 HN ILE 99 8.717 -5.502 -0.655 764 HA ILE 99 HA ILE 99 7.800 -4.915 -3.269 765 HB ILE 99 HB ILE 99 8.040 -3.081 -1.770 766 HG12 ILE 99 HG12 ILE 99 9.563 -1.619 -3.063 767 HG13 ILE 99 HG13 ILE 99 10.075 -3.023 -3.973 768 HG21 ILE 99 HG21 ILE 99 9.913 -3.955 -0.370 769 HG22 ILE 99 HG22 ILE 99 11.015 -3.476 -1.658 770 HG23 ILE 99 HG23 ILE 99 10.050 -2.262 -0.824 771 HD11 ILE 99 HD11 ILE 99 8.435 -1.937 -5.243 772 HD12 ILE 99 HD12 ILE 99 7.688 -3.379 -4.555 773 HD13 ILE 99 HD13 ILE 99 7.357 -1.794 -3.854 774 H GLU 100 HN GLU 100 10.773 -6.080 -1.961 775 HA GLU 100 HA GLU 100 12.372 -5.663 -4.217 776 HB2 GLU 100 HB2 GLU 100 12.538 -7.257 -1.732 777 HB3 GLU 100 HB3 GLU 100 13.565 -7.786 -3.059 778 HG2 GLU 100 HG2 GLU 100 14.179 -5.221 -3.137 779 HG3 GLU 100 HG3 GLU 100 13.662 -5.293 -1.455 780 H LYS 101 HN LYS 101 10.182 -8.207 -3.334 781 HA LYS 101 HA LYS 101 11.045 -10.201 -5.097 782 HB2 LYS 101 HB2 LYS 101 8.994 -9.774 -3.225 783 HB3 LYS 101 HB3 LYS 101 8.201 -10.262 -4.705 784 HG2 LYS 101 HG2 LYS 101 10.370 -12.015 -4.384 785 HG3 LYS 101 HG3 LYS 101 9.605 -11.869 -2.799 786 HD2 LYS 101 HD2 LYS 101 8.643 -13.696 -4.171 787 HD3 LYS 101 HD3 LYS 101 7.458 -12.467 -3.733 788 HE2 LYS 101 HE2 LYS 101 7.620 -11.469 -5.914 789 HE3 LYS 101 HE3 LYS 101 8.929 -12.559 -6.360 790 HZ1 LYS 101 HZ1 LYS 101 7.456 -14.395 -6.350 791 HZ2 LYS 101 HZ2 LYS 101 6.687 -13.174 -7.232 792 HZ3 LYS 101 HZ3 LYS 101 6.209 -13.497 -5.643 793 H TYR 102 HN TYR 102 8.507 -7.759 -5.496 794 HA TYR 102 HA TYR 102 8.190 -8.589 -8.281 795 HB2 TYR 102 HB2 TYR 102 6.474 -6.543 -6.921 796 HB3 TYR 102 HB3 TYR 102 6.067 -7.638 -8.243 797 HD1 TYR 102 HD1 TYR 102 6.077 -10.161 -7.683 798 HD2 TYR 102 HD2 TYR 102 5.861 -7.086 -4.754 799 HE1 TYR 102 HE1 TYR 102 5.181 -11.783 -6.071 800 HE2 TYR 102 HE2 TYR 102 4.934 -8.704 -3.130 801 HH TYR 102 HH TYR 102 5.023 -12.071 -3.670 802 H ALA 103 HN ALA 103 9.344 -6.014 -6.298 803 HA ALA 103 HA ALA 103 9.588 -4.249 -8.617 804 HB1 ALA 103 HB1 ALA 103 8.864 -3.755 -6.045 805 HB2 ALA 103 HB2 ALA 103 10.557 -3.259 -6.047 806 HB3 ALA 103 HB3 ALA 103 9.426 -2.536 -7.193 807 H ALA 104 HN ALA 104 11.523 -6.017 -6.261 808 HA ALA 104 HA ALA 104 13.911 -5.074 -7.670 809 HB1 ALA 104 HB1 ALA 104 13.785 -4.810 -5.167 810 HB2 ALA 104 HB2 ALA 104 13.949 -6.564 -5.069 811 HB3 ALA 104 HB3 ALA 104 15.232 -5.598 -5.795 Start of MODEL 6 1 HA SER 1 HA SER 1 7.122 10.394 -1.618 2 HB2 SER 1 HB2 SER 1 7.104 11.117 -4.491 3 HB3 SER 1 HB3 SER 1 5.651 11.548 -3.586 4 HG SER 1 HG SER 1 8.289 12.447 -3.271 5 H VAL 2 HN VAL 2 5.740 8.996 -0.631 6 HA VAL 2 HA VAL 2 4.026 7.214 -2.015 7 HB VAL 2 HB VAL 2 3.739 8.240 0.826 8 HG11 VAL 2 HG11 VAL 2 1.828 6.956 -0.466 9 HG12 VAL 2 HG12 VAL 2 2.824 5.556 -0.073 10 HG13 VAL 2 HG13 VAL 2 2.204 6.587 1.216 11 HG21 VAL 2 HG21 VAL 2 4.778 5.798 1.118 12 HG22 VAL 2 HG22 VAL 2 5.521 6.236 -0.421 13 HG23 VAL 2 HG23 VAL 2 5.770 7.252 0.999 14 H LYS 3 HN LYS 3 1.865 7.400 -2.560 15 HA LYS 3 HA LYS 3 0.886 10.150 -2.725 16 HB2 LYS 3 HB2 LYS 3 0.920 8.039 -4.550 17 HB3 LYS 3 HB3 LYS 3 -0.768 8.221 -4.095 18 HG2 LYS 3 HG2 LYS 3 -0.035 10.787 -4.437 19 HG3 LYS 3 HG3 LYS 3 0.977 9.990 -5.627 20 HD2 LYS 3 HD2 LYS 3 -0.929 9.024 -6.709 21 HD3 LYS 3 HD3 LYS 3 -1.999 9.566 -5.414 22 HE2 LYS 3 HE2 LYS 3 -2.338 11.479 -6.483 23 HE3 LYS 3 HE3 LYS 3 -0.612 11.830 -6.425 24 HZ1 LYS 3 HZ1 LYS 3 -1.448 9.936 -8.460 25 HZ2 LYS 3 HZ2 LYS 3 -0.325 11.198 -8.550 26 HZ3 LYS 3 HZ3 LYS 3 -1.979 11.527 -8.685 27 H ILE 4 HN ILE 4 -0.997 10.841 -1.927 28 HA ILE 4 HA ILE 4 -2.443 8.931 -0.213 29 HB ILE 4 HB ILE 4 -1.190 11.089 0.713 30 HG12 ILE 4 HG12 ILE 4 -2.150 9.521 2.197 31 HG13 ILE 4 HG13 ILE 4 -2.861 11.073 2.620 32 HG21 ILE 4 HG21 ILE 4 -2.531 12.650 -0.654 33 HG22 ILE 4 HG22 ILE 4 -3.965 12.146 0.240 34 HG23 ILE 4 HG23 ILE 4 -2.645 12.961 1.078 35 HD11 ILE 4 HD11 ILE 4 -4.915 10.505 1.583 36 HD12 ILE 4 HD12 ILE 4 -4.213 9.067 0.840 37 HD13 ILE 4 HD13 ILE 4 -4.436 9.137 2.588 38 H VAL 5 HN VAL 5 -4.251 8.332 -1.056 39 HA VAL 5 HA VAL 5 -5.800 10.214 -2.705 40 HB VAL 5 HB VAL 5 -5.270 8.423 -4.094 41 HG11 VAL 5 HG11 VAL 5 -5.563 6.763 -1.642 42 HG12 VAL 5 HG12 VAL 5 -5.834 6.001 -3.209 43 HG13 VAL 5 HG13 VAL 5 -4.287 6.772 -2.860 44 HG21 VAL 5 HG21 VAL 5 -7.945 7.668 -2.918 45 HG22 VAL 5 HG22 VAL 5 -7.670 8.901 -4.149 46 HG23 VAL 5 HG23 VAL 5 -7.340 7.206 -4.508 47 H THR 6 HN THR 6 -7.729 10.881 -1.995 48 HA THR 6 HA THR 6 -8.770 9.675 0.463 49 HB THR 6 HB THR 6 -8.384 11.999 0.725 50 HG1 THR 6 HG1 THR 6 -10.290 12.346 1.603 51 HG21 THR 6 HG21 THR 6 -9.886 12.298 -1.869 52 HG22 THR 6 HG22 THR 6 -9.596 13.650 -0.774 53 HG23 THR 6 HG23 THR 6 -8.235 12.797 -1.501 54 H SER 7 HN SER 7 -9.402 9.331 -2.761 55 HA SER 7 HA SER 7 -12.302 9.054 -2.288 56 HB2 SER 7 HB2 SER 7 -11.446 10.577 -4.180 57 HB3 SER 7 HB3 SER 7 -11.014 9.084 -5.016 58 HG SER 7 HG SER 7 -13.583 9.933 -4.180 59 H GLN 8 HN GLN 8 -13.381 7.185 -3.070 60 HA GLN 8 HA GLN 8 -11.882 4.790 -2.689 61 HB2 GLN 8 HB2 GLN 8 -13.984 4.372 -1.948 62 HB3 GLN 8 HB3 GLN 8 -14.721 5.508 -3.062 63 HG2 GLN 8 HG2 GLN 8 -15.578 3.437 -3.671 64 HG3 GLN 8 HG3 GLN 8 -14.326 3.755 -4.866 65 HE21 GLN 8 HE21 GLN 8 -12.066 3.073 -3.389 66 HE22 GLN 8 HE22 GLN 8 -12.098 1.399 -3.079 67 H SER 9 HN SER 9 -13.539 6.163 -5.511 68 HA SER 9 HA SER 9 -12.763 4.157 -7.330 69 HB2 SER 9 HB2 SER 9 -13.838 6.940 -7.580 70 HB3 SER 9 HB3 SER 9 -13.168 6.162 -9.014 71 HG SER 9 HG SER 9 -15.564 5.874 -8.170 72 H GLU 10 HN GLU 10 -11.285 7.215 -6.360 73 HA GLU 10 HA GLU 10 -9.249 7.309 -8.289 74 HB2 GLU 10 HB2 GLU 10 -9.803 9.184 -6.767 75 HB3 GLU 10 HB3 GLU 10 -9.144 8.268 -5.419 76 HG2 GLU 10 HG2 GLU 10 -6.957 8.470 -6.191 77 HG3 GLU 10 HG3 GLU 10 -7.475 8.906 -7.819 78 H PHE 11 HN PHE 11 -9.583 5.576 -5.280 79 HA PHE 11 HA PHE 11 -6.900 4.629 -5.090 80 HB2 PHE 11 HB2 PHE 11 -8.083 4.513 -3.070 81 HB3 PHE 11 HB3 PHE 11 -9.541 3.932 -3.846 82 HD1 PHE 11 HD1 PHE 11 -6.056 2.882 -3.080 83 HD2 PHE 11 HD2 PHE 11 -10.098 1.726 -3.690 84 HE1 PHE 11 HE1 PHE 11 -5.497 0.582 -2.425 85 HE2 PHE 11 HE2 PHE 11 -9.551 -0.576 -3.043 86 HZ PHE 11 HZ PHE 11 -7.251 -1.150 -2.401 87 H ASP 12 HN ASP 12 -9.932 3.193 -6.182 88 HA ASP 12 HA ASP 12 -8.862 0.738 -7.064 89 HB2 ASP 12 HB2 ASP 12 -11.326 2.242 -7.949 90 HB3 ASP 12 HB3 ASP 12 -10.974 0.579 -8.382 91 H SER 13 HN SER 13 -9.194 3.865 -8.553 92 HA SER 13 HA SER 13 -8.775 3.138 -11.230 93 HB2 SER 13 HB2 SER 13 -9.618 5.358 -10.450 94 HB3 SER 13 HB3 SER 13 -7.988 5.743 -9.910 95 HG SER 13 HG SER 13 -8.984 6.103 -12.300 96 H ILE 14 HN ILE 14 -6.526 4.160 -8.695 97 HA ILE 14 HA ILE 14 -4.196 4.179 -10.256 98 HB ILE 14 HB ILE 14 -4.614 3.599 -7.325 99 HG12 ILE 14 HG12 ILE 14 -3.241 6.062 -8.141 100 HG13 ILE 14 HG13 ILE 14 -4.892 5.948 -8.745 101 HG21 ILE 14 HG21 ILE 14 -2.488 2.972 -7.161 102 HG22 ILE 14 HG22 ILE 14 -2.256 3.203 -8.894 103 HG23 ILE 14 HG23 ILE 14 -1.987 4.545 -7.782 104 HD11 ILE 14 HD11 ILE 14 -5.247 6.975 -6.748 105 HD12 ILE 14 HD12 ILE 14 -5.404 5.288 -6.260 106 HD13 ILE 14 HD13 ILE 14 -3.899 6.156 -5.958 107 H ILE 15 HN ILE 15 -5.851 1.636 -8.561 108 HA ILE 15 HA ILE 15 -3.915 -0.379 -8.683 109 HB ILE 15 HB ILE 15 -6.880 -0.906 -8.818 110 HG12 ILE 15 HG12 ILE 15 -6.519 0.790 -7.118 111 HG13 ILE 15 HG13 ILE 15 -6.831 -0.745 -6.370 112 HG21 ILE 15 HG21 ILE 15 -6.002 -2.987 -8.743 113 HG22 ILE 15 HG22 ILE 15 -4.464 -2.423 -8.090 114 HG23 ILE 15 HG23 ILE 15 -5.853 -2.625 -7.017 115 HD11 ILE 15 HD11 ILE 15 -4.625 0.965 -6.011 116 HD12 ILE 15 HD12 ILE 15 -4.989 -0.563 -5.206 117 HD13 ILE 15 HD13 ILE 15 -4.061 -0.558 -6.706 118 H SER 16 HN SER 16 -6.476 0.459 -10.987 119 HA SER 16 HA SER 16 -5.806 -1.724 -12.762 120 HB2 SER 16 HB2 SER 16 -8.042 0.061 -12.375 121 HB3 SER 16 HB3 SER 16 -7.617 -0.060 -14.082 122 HG SER 16 HG SER 16 -8.424 -1.990 -14.089 123 H GLN 17 HN GLN 17 -5.026 1.662 -12.631 124 HA GLN 17 HA GLN 17 -4.380 1.835 -15.442 125 HB2 GLN 17 HB2 GLN 17 -4.418 3.722 -13.160 126 HB3 GLN 17 HB3 GLN 17 -3.352 4.110 -14.500 127 HG2 GLN 17 HG2 GLN 17 -5.052 4.881 -15.675 128 HG3 GLN 17 HG3 GLN 17 -5.881 3.331 -15.543 129 HE21 GLN 17 HE21 GLN 17 -7.893 3.705 -14.971 130 HE22 GLN 17 HE22 GLN 17 -8.412 4.766 -13.711 131 H ASN 18 HN ASN 18 -2.775 0.126 -13.382 132 HA ASN 18 HA ASN 18 -0.216 0.689 -14.611 133 HB2 ASN 18 HB2 ASN 18 -0.421 0.565 -11.603 134 HB3 ASN 18 HB3 ASN 18 1.006 0.929 -12.560 135 HD21 ASN 18 HD21 ASN 18 -2.179 2.100 -11.659 136 HD22 ASN 18 HD22 ASN 18 -1.833 3.775 -11.899 137 H GLU 19 HN GLU 19 1.320 -1.017 -14.403 138 HA GLU 19 HA GLU 19 0.155 -3.613 -14.457 139 HB2 GLU 19 HB2 GLU 19 2.370 -2.593 -15.556 140 HB3 GLU 19 HB3 GLU 19 3.097 -3.306 -14.123 141 HG2 GLU 19 HG2 GLU 19 3.036 -5.318 -15.032 142 HG3 GLU 19 HG3 GLU 19 1.302 -5.184 -15.319 143 H LEU 20 HN LEU 20 2.339 -2.004 -12.103 144 HA LEU 20 HA LEU 20 1.383 -3.994 -10.165 145 HB2 LEU 20 HB2 LEU 20 3.873 -4.104 -11.082 146 HB3 LEU 20 HB3 LEU 20 4.110 -2.837 -9.902 147 HG LEU 20 HG LEU 20 4.002 -4.256 -8.142 148 HD11 LEU 20 HD11 LEU 20 1.755 -4.932 -8.213 149 HD12 LEU 20 HD12 LEU 20 1.999 -5.859 -9.690 150 HD13 LEU 20 HD13 LEU 20 2.699 -6.420 -8.179 151 HD21 LEU 20 HD21 LEU 20 4.464 -6.698 -9.553 152 HD22 LEU 20 HD22 LEU 20 5.272 -5.372 -10.389 153 HD23 LEU 20 HD23 LEU 20 5.610 -5.678 -8.688 154 H VAL 21 HN VAL 21 0.587 -3.145 -8.340 155 HA VAL 21 HA VAL 21 1.341 -0.382 -7.721 156 HB VAL 21 HB VAL 21 -1.541 -1.341 -7.704 157 HG11 VAL 21 HG11 VAL 21 -1.247 1.485 -7.537 158 HG12 VAL 21 HG12 VAL 21 -1.999 0.376 -6.392 159 HG13 VAL 21 HG13 VAL 21 -0.278 0.736 -6.269 160 HG21 VAL 21 HG21 VAL 21 0.105 0.066 -9.709 161 HG22 VAL 21 HG22 VAL 21 -1.323 -0.949 -9.916 162 HG23 VAL 21 HG23 VAL 21 -1.501 0.732 -9.412 163 H ILE 22 HN ILE 22 1.949 -0.133 -5.701 164 HA ILE 22 HA ILE 22 1.006 -2.130 -3.726 165 HB ILE 22 HB ILE 22 3.344 -2.371 -3.842 166 HG12 ILE 22 HG12 ILE 22 3.713 -0.555 -1.629 167 HG13 ILE 22 HG13 ILE 22 2.146 -1.347 -1.508 168 HG21 ILE 22 HG21 ILE 22 4.746 -0.154 -3.422 169 HG22 ILE 22 HG22 ILE 22 4.284 -0.694 -5.036 170 HG23 ILE 22 HG23 ILE 22 3.348 0.561 -4.224 171 HD11 ILE 22 HD11 ILE 22 3.168 -3.092 -0.628 172 HD12 ILE 22 HD12 ILE 22 3.965 -3.360 -2.179 173 HD13 ILE 22 HD13 ILE 22 4.750 -2.379 -0.941 174 H VAL 23 HN VAL 23 -0.247 -1.415 -2.227 175 HA VAL 23 HA VAL 23 -0.251 1.440 -1.555 176 HB VAL 23 HB VAL 23 -2.126 1.205 -3.000 177 HG11 VAL 23 HG11 VAL 23 -2.684 -1.305 -1.459 178 HG12 VAL 23 HG12 VAL 23 -3.917 -0.517 -2.441 179 HG13 VAL 23 HG13 VAL 23 -2.435 -1.102 -3.193 180 HG21 VAL 23 HG21 VAL 23 -4.058 1.584 -1.486 181 HG22 VAL 23 HG22 VAL 23 -3.045 1.097 -0.128 182 HG23 VAL 23 HG23 VAL 23 -2.637 2.536 -1.062 183 H ASP 24 HN ASP 24 -0.546 1.931 0.534 184 HA ASP 24 HA ASP 24 -0.553 -0.346 2.368 185 HB2 ASP 24 HB2 ASP 24 0.293 1.305 4.037 186 HB3 ASP 24 HB3 ASP 24 1.350 1.097 2.650 187 H PHE 25 HN PHE 25 -2.531 -0.843 3.046 188 HA PHE 25 HA PHE 25 -4.508 1.257 3.493 189 HB2 PHE 25 HB2 PHE 25 -4.699 -1.716 4.122 190 HB3 PHE 25 HB3 PHE 25 -6.034 -0.574 3.981 191 HD1 PHE 25 HD1 PHE 25 -3.370 -2.287 2.039 192 HD2 PHE 25 HD2 PHE 25 -7.057 -0.164 1.905 193 HE1 PHE 25 HE1 PHE 25 -3.585 -2.825 -0.353 194 HE2 PHE 25 HE2 PHE 25 -7.284 -0.704 -0.481 195 HZ PHE 25 HZ PHE 25 -5.542 -2.035 -1.640 196 H PHE 26 HN PHE 26 -4.188 2.394 5.299 197 HA PHE 26 HA PHE 26 -3.292 0.882 7.586 198 HB2 PHE 26 HB2 PHE 26 -1.573 2.658 8.117 199 HB3 PHE 26 HB3 PHE 26 -1.360 2.104 6.457 200 HD1 PHE 26 HD1 PHE 26 -2.932 3.501 4.740 201 HD2 PHE 26 HD2 PHE 26 -1.351 4.970 8.417 202 HE1 PHE 26 HE1 PHE 26 -3.208 5.799 3.927 203 HE2 PHE 26 HE2 PHE 26 -1.598 7.271 7.590 204 HZ PHE 26 HZ PHE 26 -2.519 7.691 5.344 205 H ALA 27 HN ALA 27 -3.405 3.206 9.858 206 HA ALA 27 HA ALA 27 -5.578 4.947 9.137 207 HB1 ALA 27 HB1 ALA 27 -5.832 2.863 11.362 208 HB2 ALA 27 HB2 ALA 27 -6.939 4.241 11.177 209 HB3 ALA 27 HB3 ALA 27 -6.831 2.990 9.931 210 H GLU 28 HN GLU 28 -5.361 6.855 10.119 211 HA GLU 28 HA GLU 28 -2.938 8.037 10.791 212 HB2 GLU 28 HB2 GLU 28 -5.199 8.955 10.298 213 HB3 GLU 28 HB3 GLU 28 -5.541 8.915 12.027 214 HG2 GLU 28 HG2 GLU 28 -3.108 10.037 12.021 215 HG3 GLU 28 HG3 GLU 28 -3.739 10.632 10.487 216 H TRP 29 HN TRP 29 -4.252 5.851 13.848 217 HA TRP 29 HA TRP 29 -3.166 8.156 15.945 218 HB2 TRP 29 HB2 TRP 29 -5.030 6.706 17.284 219 HB3 TRP 29 HB3 TRP 29 -5.598 7.885 16.137 220 HD1 TRP 29 HD1 TRP 29 -7.940 6.838 14.336 221 HE1 TRP 29 HE1 TRP 29 -8.687 4.438 14.000 222 HE3 TRP 29 HE3 TRP 29 -4.712 4.186 17.655 223 HZ2 TRP 29 HZ2 TRP 29 -8.217 1.884 14.947 224 HZ3 TRP 29 HZ3 TRP 29 -5.079 1.770 17.829 225 HH2 TRP 29 HH2 TRP 29 -6.820 0.653 16.539 226 H CYS 30 HN CYS 30 -2.010 4.941 14.187 227 HA CYS 30 HA CYS 30 -1.166 3.933 16.809 228 HB2 CYS 30 HB2 CYS 30 -0.421 1.982 15.270 229 HB3 CYS 30 HB3 CYS 30 -2.138 2.208 15.584 230 H GLY 31 HN GLY 31 1.021 3.142 17.042 231 HA2 GLY 31 HA2 GLY 31 2.968 5.052 16.230 232 HA3 GLY 31 HA3 GLY 31 3.281 3.561 17.101 233 HA PRO 32 HA PRO 32 4.710 1.287 13.540 234 HB2 PRO 32 HB2 PRO 32 2.689 -0.310 12.582 235 HB3 PRO 32 HB3 PRO 32 3.723 -0.701 13.957 236 HG2 PRO 32 HG2 PRO 32 0.978 0.515 13.924 237 HG3 PRO 32 HG3 PRO 32 1.603 -0.764 14.974 238 HD2 PRO 32 HD2 PRO 32 1.393 1.711 15.874 239 HD3 PRO 32 HD3 PRO 32 2.818 0.740 16.285 240 H CYS 33 HN CYS 33 1.318 2.204 12.735 241 HA CYS 33 HA CYS 33 1.587 2.226 9.994 242 HB2 CYS 33 HB2 CYS 33 -0.062 4.285 10.171 243 HB3 CYS 33 HB3 CYS 33 -0.580 2.669 10.629 244 H LYS 34 HN LYS 34 2.236 4.984 12.160 245 HA LYS 34 HA LYS 34 3.281 6.666 10.121 246 HB2 LYS 34 HB2 LYS 34 3.583 6.730 13.125 247 HB3 LYS 34 HB3 LYS 34 4.192 7.987 12.056 248 HG2 LYS 34 HG2 LYS 34 1.573 7.749 11.274 249 HG3 LYS 34 HG3 LYS 34 1.489 7.489 13.017 250 HD2 LYS 34 HD2 LYS 34 2.764 9.843 11.623 251 HD3 LYS 34 HD3 LYS 34 1.223 9.851 12.482 252 HE2 LYS 34 HE2 LYS 34 3.939 9.319 13.681 253 HE3 LYS 34 HE3 LYS 34 2.986 10.789 13.871 254 HZ1 LYS 34 HZ1 LYS 34 1.363 8.666 14.629 255 HZ2 LYS 34 HZ2 LYS 34 2.036 9.857 15.623 256 HZ3 LYS 34 HZ3 LYS 34 2.863 8.405 15.367 257 H ARG 35 HN ARG 35 4.694 4.328 12.286 258 HA ARG 35 HA ARG 35 7.413 5.027 11.912 259 HB2 ARG 35 HB2 ARG 35 5.915 3.135 13.445 260 HB3 ARG 35 HB3 ARG 35 7.248 2.304 12.658 261 HG2 ARG 35 HG2 ARG 35 8.214 4.757 13.737 262 HG3 ARG 35 HG3 ARG 35 7.304 3.900 14.983 263 HD2 ARG 35 HD2 ARG 35 8.651 1.923 14.666 264 HD3 ARG 35 HD3 ARG 35 9.491 2.672 13.309 265 HE ARG 35 HE ARG 35 10.041 3.041 16.089 266 HH11 ARG 35 HH11 ARG 35 10.180 4.585 12.962 267 HH12 ARG 35 HH12 ARG 35 11.469 5.652 13.406 268 HH21 ARG 35 HH21 ARG 35 11.737 4.444 16.675 269 HH22 ARG 35 HH22 ARG 35 12.354 5.572 15.514 270 H ILE 36 HN ILE 36 5.266 2.996 10.096 271 HA ILE 36 HA ILE 36 7.376 1.591 8.765 272 HB ILE 36 HB ILE 36 5.247 0.481 9.155 273 HG12 ILE 36 HG12 ILE 36 5.009 -0.549 7.003 274 HG13 ILE 36 HG13 ILE 36 5.591 0.893 6.181 275 HG21 ILE 36 HG21 ILE 36 4.165 2.750 7.554 276 HG22 ILE 36 HG22 ILE 36 3.347 1.186 7.542 277 HG23 ILE 36 HG23 ILE 36 3.574 2.051 9.062 278 HD11 ILE 36 HD11 ILE 36 7.338 -0.609 8.085 279 HD12 ILE 36 HD12 ILE 36 7.152 -1.119 6.407 280 HD13 ILE 36 HD13 ILE 36 7.793 0.482 6.776 281 H ALA 37 HN ALA 37 5.573 4.496 8.324 282 HA ALA 37 HA ALA 37 5.673 4.850 5.564 283 HB1 ALA 37 HB1 ALA 37 5.405 7.239 6.039 284 HB2 ALA 37 HB2 ALA 37 4.324 6.243 7.014 285 HB3 ALA 37 HB3 ALA 37 5.776 6.936 7.736 286 HA PRO 38 HA PRO 38 9.898 7.316 6.424 287 HB2 PRO 38 HB2 PRO 38 11.401 5.829 8.256 288 HB3 PRO 38 HB3 PRO 38 10.632 7.387 8.563 289 HG2 PRO 38 HG2 PRO 38 9.688 4.643 9.223 290 HG3 PRO 38 HG3 PRO 38 9.508 6.145 10.146 291 HD2 PRO 38 HD2 PRO 38 7.460 5.112 8.780 292 HD3 PRO 38 HD3 PRO 38 7.712 6.866 8.852 293 H PHE 39 HN PHE 39 9.842 3.781 6.999 294 HA PHE 39 HA PHE 39 12.063 3.357 5.225 295 HB2 PHE 39 HB2 PHE 39 11.650 1.807 7.071 296 HB3 PHE 39 HB3 PHE 39 10.098 1.356 6.360 297 HD1 PHE 39 HD1 PHE 39 13.748 1.397 5.675 298 HD2 PHE 39 HD2 PHE 39 9.973 -0.353 4.785 299 HE1 PHE 39 HE1 PHE 39 14.861 -0.290 4.274 300 HE2 PHE 39 HE2 PHE 39 11.080 -2.042 3.394 301 HZ PHE 39 HZ PHE 39 13.516 -2.003 3.128 302 H TYR 40 HN TYR 40 8.594 3.250 5.060 303 HA TYR 40 HA TYR 40 8.274 1.973 2.585 304 HB2 TYR 40 HB2 TYR 40 6.551 2.844 4.435 305 HB3 TYR 40 HB3 TYR 40 6.460 4.232 3.334 306 HD1 TYR 40 HD1 TYR 40 6.996 0.820 2.045 307 HD2 TYR 40 HD2 TYR 40 4.122 3.847 2.881 308 HE1 TYR 40 HE1 TYR 40 5.338 -0.386 0.693 309 HE2 TYR 40 HE2 TYR 40 2.457 2.640 1.537 310 HH TYR 40 HH TYR 40 2.759 -0.510 0.620 311 H GLU 41 HN GLU 41 9.047 5.260 3.499 312 HA GLU 41 HA GLU 41 8.693 6.438 0.938 313 HB2 GLU 41 HB2 GLU 41 9.331 8.370 1.934 314 HB3 GLU 41 HB3 GLU 41 9.114 7.442 3.408 315 HG2 GLU 41 HG2 GLU 41 11.599 6.861 3.178 316 HG3 GLU 41 HG3 GLU 41 11.658 8.181 2.014 317 H GLU 42 HN GLU 42 11.485 4.950 2.537 318 HA GLU 42 HA GLU 42 13.408 5.621 0.590 319 HB2 GLU 42 HB2 GLU 42 13.302 3.228 2.438 320 HB3 GLU 42 HB3 GLU 42 14.719 3.742 1.534 321 HG2 GLU 42 HG2 GLU 42 14.811 5.809 2.769 322 HG3 GLU 42 HG3 GLU 42 13.313 5.408 3.609 323 H CYS 43 HN CYS 43 11.271 2.864 0.985 324 HA CYS 43 HA CYS 43 12.127 1.268 -1.149 325 HB2 CYS 43 HB2 CYS 43 9.395 1.507 0.120 326 HB3 CYS 43 HB3 CYS 43 9.988 0.124 -0.769 327 HG CYS 43 HG CYS 43 10.558 -1.039 1.444 328 H SER 44 HN SER 44 9.894 3.965 -0.995 329 HA SER 44 HA SER 44 8.720 3.581 -3.542 330 HB2 SER 44 HB2 SER 44 7.679 5.692 -3.197 331 HB3 SER 44 HB3 SER 44 7.774 4.905 -1.619 332 HG SER 44 HG SER 44 9.764 6.160 -1.343 333 H LYS 45 HN LYS 45 11.747 5.085 -2.645 334 HA LYS 45 HA LYS 45 11.838 6.522 -5.179 335 HB2 LYS 45 HB2 LYS 45 14.190 7.198 -4.163 336 HB3 LYS 45 HB3 LYS 45 12.695 7.987 -3.696 337 HG2 LYS 45 HG2 LYS 45 12.599 6.807 -1.648 338 HG3 LYS 45 HG3 LYS 45 13.882 5.704 -2.147 339 HD2 LYS 45 HD2 LYS 45 15.087 8.143 -2.409 340 HD3 LYS 45 HD3 LYS 45 14.046 8.392 -1.006 341 HE2 LYS 45 HE2 LYS 45 15.080 6.676 0.207 342 HE3 LYS 45 HE3 LYS 45 15.815 5.979 -1.236 343 HZ1 LYS 45 HZ1 LYS 45 16.568 8.712 -0.543 344 HZ2 LYS 45 HZ2 LYS 45 17.501 7.469 -1.209 345 HZ3 LYS 45 HZ3 LYS 45 17.165 7.478 0.449 346 H THR 46 HN THR 46 13.158 3.580 -3.907 347 HA THR 46 HA THR 46 15.151 3.465 -6.059 348 HB THR 46 HB THR 46 14.812 2.068 -3.443 349 HG1 THR 46 HG1 THR 46 16.915 2.664 -3.239 350 HG21 THR 46 HG21 THR 46 16.159 0.817 -5.837 351 HG22 THR 46 HG22 THR 46 16.475 0.332 -4.171 352 HG23 THR 46 HG23 THR 46 14.861 0.141 -4.853 353 H TYR 47 HN TYR 47 12.279 2.036 -4.832 354 HA TYR 47 HA TYR 47 12.144 -0.042 -6.805 355 HB2 TYR 47 HB2 TYR 47 10.058 0.657 -4.746 356 HB3 TYR 47 HB3 TYR 47 10.214 -0.846 -5.643 357 HD1 TYR 47 HD2 TYR 47 13.238 -1.158 -5.338 358 HD2 TYR 47 HD1 TYR 47 10.167 -0.194 -2.588 359 HE1 TYR 47 HE2 TYR 47 14.603 -2.083 -3.513 360 HE2 TYR 47 HE1 TYR 47 11.508 -1.108 -0.723 361 HH TYR 47 HH TYR 47 14.790 -1.792 -1.026 362 H THR 48 HN THR 48 11.842 2.963 -7.393 363 HA THR 48 HA THR 48 9.309 3.769 -7.861 364 HB THR 48 HB THR 48 10.202 5.266 -9.620 365 HG1 THR 48 HG1 THR 48 11.788 3.820 -10.462 366 HG21 THR 48 HG21 THR 48 12.029 6.242 -8.065 367 HG22 THR 48 HG22 THR 48 10.370 6.155 -7.473 368 HG23 THR 48 HG23 THR 48 11.553 4.952 -6.961 369 H LYS 49 HN LYS 49 10.325 0.983 -9.427 370 HA LYS 49 HA LYS 49 8.936 1.551 -11.898 371 HB2 LYS 49 HB2 LYS 49 9.865 -1.161 -10.977 372 HB3 LYS 49 HB3 LYS 49 9.603 -0.584 -12.601 373 HG2 LYS 49 HG2 LYS 49 11.848 -0.474 -12.568 374 HG3 LYS 49 HG3 LYS 49 11.486 1.133 -11.986 375 HD2 LYS 49 HD2 LYS 49 13.246 -0.558 -10.836 376 HD3 LYS 49 HD3 LYS 49 12.421 0.731 -9.974 377 HE2 LYS 49 HE2 LYS 49 10.772 -0.828 -9.147 378 HE3 LYS 49 HE3 LYS 49 11.443 -2.118 -10.144 379 HZ1 LYS 49 HZ1 LYS 49 12.087 -1.843 -7.622 380 HZ2 LYS 49 HZ2 LYS 49 13.239 -0.783 -8.262 381 HZ3 LYS 49 HZ3 LYS 49 13.207 -2.397 -8.763 382 H MET 50 HN MET 50 8.004 1.157 -8.870 383 HA MET 50 HA MET 50 5.437 -0.250 -9.429 384 HB2 MET 50 HB2 MET 50 7.412 -0.982 -7.601 385 HB3 MET 50 HB3 MET 50 6.312 -0.033 -6.623 386 HG2 MET 50 HG2 MET 50 5.170 -1.905 -6.351 387 HG3 MET 50 HG3 MET 50 4.658 -1.724 -8.017 388 HE1 MET 50 HE1 MET 50 6.125 -2.306 -9.919 389 HE2 MET 50 HE2 MET 50 6.703 -3.964 -10.081 390 HE3 MET 50 HE3 MET 50 7.806 -2.694 -9.552 391 H VAL 51 HN VAL 51 3.647 0.728 -8.590 392 HA VAL 51 HA VAL 51 3.992 3.565 -8.052 393 HB VAL 51 HB VAL 51 2.116 2.021 -9.490 394 HG11 VAL 51 HG11 VAL 51 0.004 2.570 -8.646 395 HG12 VAL 51 HG12 VAL 51 0.910 1.922 -7.287 396 HG13 VAL 51 HG13 VAL 51 0.680 3.658 -7.434 397 HG21 VAL 51 HG21 VAL 51 2.542 4.908 -8.917 398 HG22 VAL 51 HG22 VAL 51 2.806 4.003 -10.409 399 HG23 VAL 51 HG23 VAL 51 1.164 4.379 -9.886 400 H PHE 52 HN PHE 52 3.875 4.395 -6.076 401 HA PHE 52 HA PHE 52 2.774 2.713 -3.941 402 HB2 PHE 52 HB2 PHE 52 4.826 4.919 -3.880 403 HB3 PHE 52 HB3 PHE 52 4.097 4.270 -2.419 404 HD1 PHE 52 HD1 PHE 52 5.713 3.070 -5.501 405 HD2 PHE 52 HD2 PHE 52 5.272 2.604 -1.318 406 HE1 PHE 52 HE1 PHE 52 7.410 1.284 -5.546 407 HE2 PHE 52 HE2 PHE 52 6.967 0.813 -1.330 408 HZ PHE 52 HZ PHE 52 8.043 0.150 -3.452 409 H ILE 53 HN ILE 53 0.873 3.209 -3.174 410 HA ILE 53 HA ILE 53 0.143 6.051 -2.776 411 HB ILE 53 HB ILE 53 -2.177 5.584 -3.503 412 HG12 ILE 53 HG12 ILE 53 -1.620 3.303 -5.179 413 HG13 ILE 53 HG13 ILE 53 -1.319 2.909 -3.489 414 HG21 ILE 53 HG21 ILE 53 -1.309 5.104 -6.045 415 HG22 ILE 53 HG22 ILE 53 -1.298 6.676 -5.248 416 HG23 ILE 53 HG23 ILE 53 0.159 5.682 -5.258 417 HD11 ILE 53 HD11 ILE 53 -3.566 2.341 -3.980 418 HD12 ILE 53 HD12 ILE 53 -3.598 3.787 -2.972 419 HD13 ILE 53 HD13 ILE 53 -3.870 3.917 -4.710 420 H LYS 54 HN LYS 54 -1.377 6.348 -1.026 421 HA LYS 54 HA LYS 54 -1.721 3.951 0.650 422 HB2 LYS 54 HB2 LYS 54 -1.271 5.170 2.621 423 HB3 LYS 54 HB3 LYS 54 -0.003 5.613 1.490 424 HG2 LYS 54 HG2 LYS 54 -2.310 7.398 1.403 425 HG3 LYS 54 HG3 LYS 54 -1.508 7.347 2.971 426 HD2 LYS 54 HD2 LYS 54 0.274 7.527 0.631 427 HD3 LYS 54 HD3 LYS 54 -0.733 8.944 0.937 428 HE2 LYS 54 HE2 LYS 54 1.016 7.619 3.004 429 HE3 LYS 54 HE3 LYS 54 1.500 9.015 2.043 430 HZ1 LYS 54 HZ1 LYS 54 0.697 9.769 4.144 431 HZ2 LYS 54 HZ2 LYS 54 -0.736 8.884 3.990 432 HZ3 LYS 54 HZ3 LYS 54 -0.444 10.202 2.972 433 H VAL 55 HN VAL 55 -3.654 3.673 1.700 434 HA VAL 55 HA VAL 55 -5.708 5.713 1.317 435 HB VAL 55 HB VAL 55 -5.634 3.100 -0.003 436 HG11 VAL 55 HG11 VAL 55 -8.177 2.850 0.155 437 HG12 VAL 55 HG12 VAL 55 -7.209 2.269 1.513 438 HG13 VAL 55 HG13 VAL 55 -8.050 3.815 1.629 439 HG21 VAL 55 HG21 VAL 55 -6.766 5.784 -0.398 440 HG22 VAL 55 HG22 VAL 55 -5.963 4.705 -1.539 441 HG23 VAL 55 HG23 VAL 55 -7.662 4.456 -1.136 442 H ASP 56 HN ASP 56 -6.530 6.172 3.201 443 HA ASP 56 HA ASP 56 -6.227 4.427 5.458 444 HB2 ASP 56 HB2 ASP 56 -6.918 6.261 6.766 445 HB3 ASP 56 HB3 ASP 56 -6.068 6.999 5.418 446 H VAL 57 HN VAL 57 -7.964 3.697 6.817 447 HA VAL 57 HA VAL 57 -10.134 2.641 5.246 448 HB VAL 57 HB VAL 57 -10.641 1.239 7.106 449 HG11 VAL 57 HG11 VAL 57 -7.882 1.535 6.213 450 HG12 VAL 57 HG12 VAL 57 -8.029 0.720 7.771 451 HG13 VAL 57 HG13 VAL 57 -8.878 0.088 6.359 452 HG21 VAL 57 HG21 VAL 57 -10.658 2.378 9.068 453 HG22 VAL 57 HG22 VAL 57 -9.052 1.662 9.214 454 HG23 VAL 57 HG23 VAL 57 -9.229 3.327 8.657 455 H ASP 58 HN ASP 58 -9.658 5.233 7.466 456 HA ASP 58 HA ASP 58 -12.351 5.437 8.360 457 HB2 ASP 58 HB2 ASP 58 -10.034 7.360 8.469 458 HB3 ASP 58 HB3 ASP 58 -11.607 7.705 9.178 459 H GLU 59 HN GLU 59 -10.453 7.206 5.943 460 HA GLU 59 HA GLU 59 -12.563 8.971 5.239 461 HB2 GLU 59 HB2 GLU 59 -9.935 9.067 4.835 462 HB3 GLU 59 HB3 GLU 59 -10.396 8.367 3.290 463 HG2 GLU 59 HG2 GLU 59 -10.889 10.386 2.547 464 HG3 GLU 59 HG3 GLU 59 -12.159 10.508 3.764 465 H VAL 60 HN VAL 60 -11.310 5.984 3.759 466 HA VAL 60 HA VAL 60 -13.791 5.890 2.177 467 HB VAL 60 HB VAL 60 -12.290 4.483 0.554 468 HG11 VAL 60 HG11 VAL 60 -13.354 6.955 0.464 469 HG12 VAL 60 HG12 VAL 60 -11.643 7.345 0.286 470 HG13 VAL 60 HG13 VAL 60 -12.420 6.242 -0.851 471 HG21 VAL 60 HG21 VAL 60 -9.988 5.412 0.421 472 HG22 VAL 60 HG22 VAL 60 -10.265 6.218 1.965 473 HG23 VAL 60 HG23 VAL 60 -10.277 4.456 1.874 474 H SER 61 HN SER 61 -14.541 4.667 4.071 475 HA SER 61 HA SER 61 -13.475 2.228 4.906 476 HB2 SER 61 HB2 SER 61 -16.003 3.661 5.190 477 HB3 SER 61 HB3 SER 61 -16.223 1.911 5.157 478 HG SER 61 HG SER 61 -14.911 1.713 6.915 479 H GLU 62 HN GLU 62 -15.451 3.060 2.157 480 HA GLU 62 HA GLU 62 -16.380 0.558 1.381 481 HB2 GLU 62 HB2 GLU 62 -15.647 3.025 -0.176 482 HB3 GLU 62 HB3 GLU 62 -16.257 1.583 -0.976 483 HG2 GLU 62 HG2 GLU 62 -17.991 3.273 -0.528 484 HG3 GLU 62 HG3 GLU 62 -18.321 1.714 0.224 485 H VAL 63 HN VAL 63 -13.213 1.972 1.125 486 HA VAL 63 HA VAL 63 -12.190 0.167 -0.826 487 HB VAL 63 HB VAL 63 -10.706 1.835 1.211 488 HG11 VAL 63 HG11 VAL 63 -9.029 1.467 -0.932 489 HG12 VAL 63 HG12 VAL 63 -8.941 0.607 0.605 490 HG13 VAL 63 HG13 VAL 63 -9.798 -0.110 -0.759 491 HG21 VAL 63 HG21 VAL 63 -12.228 2.828 -0.744 492 HG22 VAL 63 HG22 VAL 63 -10.718 3.582 -0.234 493 HG23 VAL 63 HG23 VAL 63 -10.748 2.548 -1.665 494 H THR 64 HN THR 64 -12.200 0.269 2.685 495 HA THR 64 HA THR 64 -10.516 -1.897 3.196 496 HB THR 64 HB THR 64 -12.935 -0.952 4.751 497 HG1 THR 64 HG1 THR 64 -10.170 -0.286 4.873 498 HG21 THR 64 HG21 THR 64 -12.207 -2.187 6.595 499 HG22 THR 64 HG22 THR 64 -11.952 -3.303 5.254 500 HG23 THR 64 HG23 THR 64 -10.589 -2.410 5.929 501 H GLU 65 HN GLU 65 -14.032 -1.774 2.730 502 HA GLU 65 HA GLU 65 -14.404 -4.597 2.945 503 HB2 GLU 65 HB2 GLU 65 -16.676 -4.131 2.078 504 HB3 GLU 65 HB3 GLU 65 -16.245 -3.103 3.437 505 HG2 GLU 65 HG2 GLU 65 -15.938 -1.226 2.054 506 HG3 GLU 65 HG3 GLU 65 -15.945 -2.208 0.590 507 H LYS 66 HN LYS 66 -13.892 -2.339 0.320 508 HA LYS 66 HA LYS 66 -14.536 -3.935 -1.859 509 HB2 LYS 66 HB2 LYS 66 -14.207 -1.627 -2.214 510 HB3 LYS 66 HB3 LYS 66 -12.626 -1.649 -1.454 511 HG2 LYS 66 HG2 LYS 66 -12.255 -1.394 -3.754 512 HG3 LYS 66 HG3 LYS 66 -11.848 -3.067 -3.376 513 HD2 LYS 66 HD2 LYS 66 -13.168 -3.566 -5.126 514 HD3 LYS 66 HD3 LYS 66 -14.494 -3.271 -4.000 515 HE2 LYS 66 HE2 LYS 66 -15.206 -1.726 -5.441 516 HE3 LYS 66 HE3 LYS 66 -13.838 -0.746 -4.914 517 HZ1 LYS 66 HZ1 LYS 66 -13.417 -0.786 -7.121 518 HZ2 LYS 66 HZ2 LYS 66 -14.196 -2.265 -7.377 519 HZ3 LYS 66 HZ3 LYS 66 -12.636 -2.234 -6.725 520 H GLU 67 HN GLU 67 -11.537 -3.684 -0.016 521 HA GLU 67 HA GLU 67 -10.323 -5.746 -1.700 522 HB2 GLU 67 HB2 GLU 67 -9.100 -3.987 0.430 523 HB3 GLU 67 HB3 GLU 67 -8.224 -5.147 -0.557 524 HG2 GLU 67 HG2 GLU 67 -9.697 -2.731 -1.581 525 HG3 GLU 67 HG3 GLU 67 -7.952 -2.859 -1.365 526 H ASN 68 HN ASN 68 -12.375 -5.965 0.668 527 HA ASN 68 HA ASN 68 -12.806 -7.375 2.383 528 HB2 ASN 68 HB2 ASN 68 -11.899 -8.829 0.252 529 HB3 ASN 68 HB3 ASN 68 -10.836 -9.378 1.540 530 HD21 ASN 68 HD21 ASN 68 -12.207 -9.619 3.699 531 HD22 ASN 68 HD22 ASN 68 -13.614 -10.597 3.513 532 H ILE 69 HN ILE 69 -11.029 -5.438 3.089 533 HA ILE 69 HA ILE 69 -8.677 -6.514 4.331 534 HB ILE 69 HB ILE 69 -10.011 -3.837 4.729 535 HG12 ILE 69 HG12 ILE 69 -9.220 -4.468 2.361 536 HG13 ILE 69 HG13 ILE 69 -8.644 -2.949 3.035 537 HG21 ILE 69 HG21 ILE 69 -7.540 -3.268 5.321 538 HG22 ILE 69 HG22 ILE 69 -8.603 -3.994 6.527 539 HG23 ILE 69 HG23 ILE 69 -7.434 -4.995 5.665 540 HD11 ILE 69 HD11 ILE 69 -6.507 -3.831 3.452 541 HD12 ILE 69 HD12 ILE 69 -7.053 -5.486 3.182 542 HD13 ILE 69 HD13 ILE 69 -6.947 -4.360 1.828 543 H THR 70 HN THR 70 -8.531 -7.459 6.277 544 HA THR 70 HA THR 70 -10.827 -7.199 8.095 545 HB THR 70 HB THR 70 -9.838 -9.335 9.107 546 HG1 THR 70 HG1 THR 70 -7.856 -9.437 8.109 547 HG21 THR 70 HG21 THR 70 -11.869 -9.568 7.975 548 HG22 THR 70 HG22 THR 70 -11.153 -9.150 6.419 549 HG23 THR 70 HG23 THR 70 -10.806 -10.714 7.158 550 H SER 71 HN SER 71 -7.276 -7.186 7.999 551 HA SER 71 HA SER 71 -7.317 -5.778 10.581 552 HB2 SER 71 HB2 SER 71 -5.969 -8.355 9.974 553 HB3 SER 71 HB3 SER 71 -5.102 -7.206 10.992 554 HG SER 71 HG SER 71 -6.290 -8.192 12.463 555 H MET 72 HN MET 72 -5.700 -4.321 10.962 556 HA MET 72 HA MET 72 -3.882 -3.700 8.714 557 HB2 MET 72 HB2 MET 72 -4.575 -1.561 8.758 558 HB3 MET 72 HB3 MET 72 -5.878 -2.091 9.806 559 HG2 MET 72 HG2 MET 72 -4.760 -1.409 11.740 560 HG3 MET 72 HG3 MET 72 -3.221 -1.247 10.913 561 HE1 MET 72 HE1 MET 72 -3.339 0.783 12.522 562 HE2 MET 72 HE2 MET 72 -5.029 1.197 12.806 563 HE3 MET 72 HE3 MET 72 -3.959 2.355 12.018 564 HA PRO 73 HA PRO 73 -2.354 -1.835 8.596 565 HB2 PRO 73 HB2 PRO 73 0.282 -1.909 8.094 566 HB3 PRO 73 HB3 PRO 73 -0.377 -0.844 9.344 567 HG2 PRO 73 HG2 PRO 73 0.905 -3.536 9.637 568 HG3 PRO 73 HG3 PRO 73 1.186 -2.060 10.579 569 HD2 PRO 73 HD2 PRO 73 -0.418 -4.078 11.437 570 HD3 PRO 73 HD3 PRO 73 -0.693 -2.378 11.868 571 H THR 74 HN THR 74 -2.676 -2.610 6.570 572 HA THR 74 HA THR 74 -1.565 -5.264 5.943 573 HB THR 74 HB THR 74 -3.832 -4.483 4.283 574 HG1 THR 74 HG1 THR 74 -5.087 -5.220 6.442 575 HG21 THR 74 HG21 THR 74 -3.626 -6.875 6.089 576 HG22 THR 74 HG22 THR 74 -4.437 -6.731 4.529 577 HG23 THR 74 HG23 THR 74 -2.675 -6.761 4.607 578 H PHE 75 HN PHE 75 -0.194 -5.346 4.310 579 HA PHE 75 HA PHE 75 -0.173 -3.167 2.312 580 HB2 PHE 75 HB2 PHE 75 2.120 -4.811 3.384 581 HB3 PHE 75 HB3 PHE 75 2.238 -3.870 1.915 582 HD1 PHE 75 HD1 PHE 75 0.159 -2.086 4.073 583 HD2 PHE 75 HD2 PHE 75 4.254 -3.096 3.470 584 HE1 PHE 75 HE1 PHE 75 0.837 -0.114 5.380 585 HE2 PHE 75 HE2 PHE 75 4.931 -1.129 4.787 586 HZ PHE 75 HZ PHE 75 3.225 0.364 5.736 587 H LYS 76 HN LYS 76 -0.940 -3.826 0.441 588 HA LYS 76 HA LYS 76 -0.399 -6.599 -0.385 589 HB2 LYS 76 HB2 LYS 76 -2.936 -5.134 -0.170 590 HB3 LYS 76 HB3 LYS 76 -2.700 -5.930 -1.714 591 HG2 LYS 76 HG2 LYS 76 -2.016 -7.918 0.002 592 HG3 LYS 76 HG3 LYS 76 -3.254 -7.065 0.924 593 HD2 LYS 76 HD2 LYS 76 -3.654 -7.848 -1.947 594 HD3 LYS 76 HD3 LYS 76 -4.031 -8.944 -0.618 595 HE2 LYS 76 HE2 LYS 76 -5.599 -7.347 0.302 596 HE3 LYS 76 HE3 LYS 76 -5.171 -6.171 -0.940 597 HZ1 LYS 76 HZ1 LYS 76 -6.230 -7.399 -2.578 598 HZ2 LYS 76 HZ2 LYS 76 -7.274 -7.566 -1.258 599 HZ3 LYS 76 HZ3 LYS 76 -6.227 -8.828 -1.672 600 H VAL 77 HN VAL 77 0.287 -6.896 -2.445 601 HA VAL 77 HA VAL 77 0.787 -4.471 -4.005 602 HB VAL 77 HB VAL 77 1.988 -7.235 -4.259 603 HG11 VAL 77 HG11 VAL 77 3.462 -6.253 -5.938 604 HG12 VAL 77 HG12 VAL 77 1.774 -6.118 -6.434 605 HG13 VAL 77 HG13 VAL 77 2.620 -4.709 -5.787 606 HG21 VAL 77 HG21 VAL 77 2.647 -5.681 -2.317 607 HG22 VAL 77 HG22 VAL 77 3.935 -6.383 -3.297 608 HG23 VAL 77 HG23 VAL 77 3.440 -4.710 -3.557 609 H TYR 78 HN TYR 78 -0.220 -4.151 -5.894 610 HA TYR 78 HA TYR 78 -2.022 -6.286 -6.771 611 HB2 TYR 78 HB2 TYR 78 -2.281 -3.303 -7.054 612 HB3 TYR 78 HB3 TYR 78 -3.414 -4.465 -7.712 613 HD1 TYR 78 HD2 TYR 78 -2.794 -6.178 -4.986 614 HD2 TYR 78 HD1 TYR 78 -4.313 -2.340 -5.926 615 HE1 TYR 78 HE2 TYR 78 -4.054 -6.176 -2.882 616 HE2 TYR 78 HE1 TYR 78 -5.571 -2.303 -3.818 617 HH TYR 78 HH TYR 78 -6.412 -3.751 -2.152 618 H LYS 79 HN LYS 79 -1.703 -7.186 -8.666 619 HA LYS 79 HA LYS 79 -0.094 -5.745 -10.650 620 HB2 LYS 79 HB2 LYS 79 0.580 -8.095 -9.462 621 HB3 LYS 79 HB3 LYS 79 -0.291 -8.679 -10.871 622 HG2 LYS 79 HG2 LYS 79 1.763 -6.585 -11.286 623 HG3 LYS 79 HG3 LYS 79 2.305 -8.208 -10.902 624 HD2 LYS 79 HD2 LYS 79 0.613 -7.340 -13.233 625 HD3 LYS 79 HD3 LYS 79 2.243 -8.009 -13.277 626 HE2 LYS 79 HE2 LYS 79 0.814 -9.928 -11.925 627 HE3 LYS 79 HE3 LYS 79 -0.333 -9.351 -13.134 628 HZ1 LYS 79 HZ1 LYS 79 1.463 -9.705 -14.811 629 HZ2 LYS 79 HZ2 LYS 79 0.882 -11.124 -14.097 630 HZ3 LYS 79 HZ3 LYS 79 2.368 -10.479 -13.609 631 H ASN 80 HN ASN 80 -0.836 -5.528 -12.606 632 HA ASN 80 HA ASN 80 -2.366 -5.319 -14.271 633 HB2 ASN 80 HB2 ASN 80 -2.193 -8.176 -13.642 634 HB3 ASN 80 HB3 ASN 80 -3.687 -7.722 -14.453 635 HD21 ASN 80 HD21 ASN 80 -0.358 -8.315 -14.809 636 HD22 ASN 80 HD22 ASN 80 -0.226 -7.910 -16.479 637 H GLY 81 HN GLY 81 -3.203 -4.496 -11.677 638 HA2 GLY 81 HA2 GLY 81 -5.122 -3.537 -10.854 639 HA3 GLY 81 HA3 GLY 81 -5.999 -4.236 -12.199 640 H SER 82 HN SER 82 -4.137 -6.046 -9.744 641 HA SER 82 HA SER 82 -6.471 -6.660 -8.235 642 HB2 SER 82 HB2 SER 82 -6.402 -8.095 -10.532 643 HB3 SER 82 HB3 SER 82 -5.496 -9.170 -9.466 644 HG SER 82 HG SER 82 -7.881 -9.398 -9.536 645 H SER 83 HN SER 83 -5.953 -8.917 -6.971 646 HA SER 83 HA SER 83 -3.797 -8.224 -5.281 647 HB2 SER 83 HB2 SER 83 -4.492 -10.816 -4.600 648 HB3 SER 83 HB3 SER 83 -5.138 -9.334 -3.902 649 HG SER 83 HG SER 83 -6.744 -10.813 -4.747 650 H VAL 84 HN VAL 84 -1.941 -9.343 -4.739 651 HA VAL 84 HA VAL 84 -1.048 -11.510 -6.419 652 HB VAL 84 HB VAL 84 -0.483 -9.181 -7.466 653 HG11 VAL 84 HG11 VAL 84 1.299 -8.001 -6.746 654 HG12 VAL 84 HG12 VAL 84 0.711 -8.596 -5.197 655 HG13 VAL 84 HG13 VAL 84 2.067 -9.397 -5.984 656 HG21 VAL 84 HG21 VAL 84 0.329 -11.631 -7.964 657 HG22 VAL 84 HG22 VAL 84 1.068 -10.240 -8.757 658 HG23 VAL 84 HG23 VAL 84 1.865 -10.994 -7.376 659 H ASP 85 HN ASP 85 -0.348 -9.327 -3.687 660 HA ASP 85 HA ASP 85 0.697 -11.578 -2.206 661 HB2 ASP 85 HB2 ASP 85 2.648 -10.547 -3.443 662 HB3 ASP 85 HB3 ASP 85 2.416 -9.112 -2.456 663 H THR 86 HN THR 86 0.958 -11.104 0.107 664 HA THR 86 HA THR 86 -0.367 -8.645 0.994 665 HB THR 86 HB THR 86 -1.632 -9.988 2.665 666 HG1 THR 86 HG1 THR 86 -0.227 -11.902 2.328 667 HG21 THR 86 HG21 THR 86 -2.114 -9.945 -0.228 668 HG22 THR 86 HG22 THR 86 -3.051 -11.146 0.660 669 HG23 THR 86 HG23 THR 86 -3.158 -9.442 1.101 670 H LEU 87 HN LEU 87 0.449 -7.782 2.862 671 HA LEU 87 HA LEU 87 2.364 -9.414 4.384 672 HB2 LEU 87 HB2 LEU 87 4.007 -8.085 3.693 673 HB3 LEU 87 HB3 LEU 87 2.878 -7.050 2.849 674 HG LEU 87 HG LEU 87 2.537 -5.785 4.975 675 HD11 LEU 87 HD11 LEU 87 4.667 -6.198 6.511 676 HD12 LEU 87 HD12 LEU 87 3.113 -6.982 6.790 677 HD13 LEU 87 HD13 LEU 87 4.399 -7.849 5.949 678 HD21 LEU 87 HD21 LEU 87 4.548 -4.526 4.779 679 HD22 LEU 87 HD22 LEU 87 5.409 -5.908 4.101 680 HD23 LEU 87 HD23 LEU 87 4.129 -5.127 3.173 681 H LEU 88 HN LEU 88 1.827 -9.580 6.448 682 HA LEU 88 HA LEU 88 -0.205 -7.805 7.553 683 HB2 LEU 88 HB2 LEU 88 0.690 -10.542 8.044 684 HB3 LEU 88 HB3 LEU 88 0.430 -9.637 9.523 685 HG LEU 88 HG LEU 88 -1.621 -9.992 7.336 686 HD11 LEU 88 HD11 LEU 88 -2.512 -11.747 8.460 687 HD12 LEU 88 HD12 LEU 88 -0.828 -11.964 8.938 688 HD13 LEU 88 HD13 LEU 88 -1.960 -11.166 10.031 689 HD21 LEU 88 HD21 LEU 88 -3.108 -9.196 9.297 690 HD22 LEU 88 HD22 LEU 88 -1.607 -8.543 9.954 691 HD23 LEU 88 HD23 LEU 88 -2.189 -8.002 8.380 692 H GLY 89 HN GLY 89 0.088 -6.422 9.242 693 HA2 GLY 89 HA2 GLY 89 1.203 -5.126 10.789 694 HA3 GLY 89 HA3 GLY 89 2.352 -6.449 10.962 695 H ALA 90 HN ALA 90 2.684 -3.421 10.668 696 HA ALA 90 HA ALA 90 4.032 -3.225 8.114 697 HB1 ALA 90 HB1 ALA 90 4.442 -1.069 10.058 698 HB2 ALA 90 HB2 ALA 90 3.917 -1.004 8.377 699 HB3 ALA 90 HB3 ALA 90 2.760 -1.396 9.646 700 H ASN 91 HN ASN 91 5.887 -4.210 7.921 701 HA ASN 91 HA ASN 91 7.948 -3.780 9.973 702 HB2 ASN 91 HB2 ASN 91 7.274 -6.264 8.415 703 HB3 ASN 91 HB3 ASN 91 8.900 -6.008 9.039 704 HD21 ASN 91 HD21 ASN 91 8.596 -7.884 10.315 705 HD22 ASN 91 HD22 ASN 91 7.680 -7.802 11.802 706 H ASP 92 HN ASP 92 9.743 -2.749 9.202 707 HA ASP 92 HA ASP 92 9.762 -1.783 6.546 708 HB2 ASP 92 HB2 ASP 92 12.103 -1.056 7.093 709 HB3 ASP 92 HB3 ASP 92 10.893 -0.542 8.266 710 H SER 93 HN SER 93 11.525 -4.409 8.155 711 HA SER 93 HA SER 93 13.086 -5.157 5.904 712 HB2 SER 93 HB2 SER 93 12.479 -7.077 8.110 713 HB3 SER 93 HB3 SER 93 13.994 -6.775 7.264 714 HG SER 93 HG SER 93 14.443 -5.188 8.599 715 H ALA 94 HN ALA 94 10.019 -6.275 7.206 716 HA ALA 94 HA ALA 94 9.836 -8.585 5.557 717 HB1 ALA 94 HB1 ALA 94 7.813 -8.969 6.541 718 HB2 ALA 94 HB2 ALA 94 8.502 -7.870 7.734 719 HB3 ALA 94 HB3 ALA 94 7.360 -7.265 6.532 720 H LEU 95 HN LEU 95 8.601 -5.310 5.336 721 HA LEU 95 HA LEU 95 7.234 -5.726 2.890 722 HB2 LEU 95 HB2 LEU 95 6.489 -3.824 3.917 723 HB3 LEU 95 HB3 LEU 95 8.082 -3.400 4.520 724 HG LEU 95 HG LEU 95 8.487 -3.070 1.883 725 HD11 LEU 95 HD11 LEU 95 6.583 -2.065 0.848 726 HD12 LEU 95 HD12 LEU 95 6.205 -3.711 1.366 727 HD13 LEU 95 HD13 LEU 95 5.617 -2.329 2.302 728 HD21 LEU 95 HD21 LEU 95 8.764 -0.905 2.389 729 HD22 LEU 95 HD22 LEU 95 7.200 -0.781 3.213 730 HD23 LEU 95 HD23 LEU 95 8.577 -1.521 4.041 731 H LYS 96 HN LYS 96 10.518 -4.956 3.812 732 HA LYS 96 HA LYS 96 11.520 -3.933 1.451 733 HB2 LYS 96 HB2 LYS 96 12.620 -4.396 3.801 734 HB3 LYS 96 HB3 LYS 96 13.111 -5.907 3.049 735 HG2 LYS 96 HG2 LYS 96 13.665 -3.292 1.719 736 HG3 LYS 96 HG3 LYS 96 14.717 -3.903 2.997 737 HD2 LYS 96 HD2 LYS 96 15.406 -5.716 1.735 738 HD3 LYS 96 HD3 LYS 96 13.981 -5.663 0.696 739 HE2 LYS 96 HE2 LYS 96 14.867 -4.112 -0.670 740 HE3 LYS 96 HE3 LYS 96 15.686 -3.272 0.642 741 HZ1 LYS 96 HZ1 LYS 96 17.549 -4.484 0.375 742 HZ2 LYS 96 HZ2 LYS 96 16.959 -4.708 -1.195 743 HZ3 LYS 96 HZ3 LYS 96 16.720 -5.905 -0.024 744 H GLN 97 HN GLN 97 11.327 -7.302 2.551 745 HA GLN 97 HA GLN 97 12.255 -8.352 0.083 746 HB2 GLN 97 HB2 GLN 97 12.550 -10.163 1.314 747 HB3 GLN 97 HB3 GLN 97 11.898 -9.277 2.674 748 HG2 GLN 97 HG2 GLN 97 10.229 -10.937 0.788 749 HG3 GLN 97 HG3 GLN 97 10.936 -11.551 2.273 750 HE21 GLN 97 HE21 GLN 97 9.965 -11.052 4.261 751 HE22 GLN 97 HE22 GLN 97 8.458 -10.220 4.361 752 H LEU 98 HN LEU 98 9.030 -7.629 1.377 753 HA LEU 98 HA LEU 98 7.619 -9.116 -0.580 754 HB2 LEU 98 HB2 LEU 98 6.463 -8.561 1.400 755 HB3 LEU 98 HB3 LEU 98 6.884 -6.863 1.262 756 HG LEU 98 HG LEU 98 5.426 -7.674 -1.052 757 HD11 LEU 98 HD11 LEU 98 3.381 -8.417 -0.206 758 HD12 LEU 98 HD12 LEU 98 4.585 -9.385 0.644 759 HD13 LEU 98 HD13 LEU 98 3.824 -8.016 1.454 760 HD21 LEU 98 HD21 LEU 98 3.845 -5.900 -0.083 761 HD22 LEU 98 HD22 LEU 98 5.082 -5.695 1.158 762 HD23 LEU 98 HD23 LEU 98 5.480 -5.416 -0.537 763 H ILE 99 HN ILE 99 8.455 -5.705 -0.267 764 HA ILE 99 HA ILE 99 7.364 -4.901 -2.748 765 HB ILE 99 HB ILE 99 7.949 -3.593 -0.533 766 HG12 ILE 99 HG12 ILE 99 6.686 -2.802 -2.506 767 HG13 ILE 99 HG13 ILE 99 7.660 -1.547 -1.741 768 HG21 ILE 99 HG21 ILE 99 9.884 -2.075 -0.910 769 HG22 ILE 99 HG22 ILE 99 10.312 -3.736 -0.506 770 HG23 ILE 99 HG23 ILE 99 10.430 -3.178 -2.177 771 HD11 ILE 99 HD11 ILE 99 9.055 -2.978 -3.838 772 HD12 ILE 99 HD12 ILE 99 7.616 -2.136 -4.403 773 HD13 ILE 99 HD13 ILE 99 8.891 -1.251 -3.568 774 H GLU 100 HN GLU 100 10.477 -6.062 -1.706 775 HA GLU 100 HA GLU 100 11.926 -5.349 -4.011 776 HB2 GLU 100 HB2 GLU 100 12.313 -7.123 -1.688 777 HB3 GLU 100 HB3 GLU 100 13.249 -7.528 -3.121 778 HG2 GLU 100 HG2 GLU 100 13.737 -4.907 -3.024 779 HG3 GLU 100 HG3 GLU 100 13.458 -5.209 -1.313 780 H LYS 101 HN LYS 101 9.921 -8.107 -3.245 781 HA LYS 101 HA LYS 101 10.808 -9.833 -5.265 782 HB2 LYS 101 HB2 LYS 101 8.728 -9.713 -3.299 783 HB3 LYS 101 HB3 LYS 101 8.089 -10.350 -4.804 784 HG2 LYS 101 HG2 LYS 101 9.827 -12.066 -4.826 785 HG3 LYS 101 HG3 LYS 101 10.481 -11.422 -3.319 786 HD2 LYS 101 HD2 LYS 101 7.853 -11.784 -2.678 787 HD3 LYS 101 HD3 LYS 101 8.142 -13.127 -3.786 788 HE2 LYS 101 HE2 LYS 101 10.121 -12.576 -1.626 789 HE3 LYS 101 HE3 LYS 101 8.602 -13.371 -1.210 790 HZ1 LYS 101 HZ1 LYS 101 10.154 -14.400 -3.476 791 HZ2 LYS 101 HZ2 LYS 101 9.137 -15.225 -2.405 792 HZ3 LYS 101 HZ3 LYS 101 10.684 -14.754 -1.908 793 H TYR 102 HN TYR 102 8.068 -7.565 -5.266 794 HA TYR 102 HA TYR 102 7.614 -8.218 -8.073 795 HB2 TYR 102 HB2 TYR 102 5.863 -6.404 -6.444 796 HB3 TYR 102 HB3 TYR 102 5.441 -7.388 -7.846 797 HD1 TYR 102 HD1 TYR 102 6.193 -7.456 -4.263 798 HD2 TYR 102 HD2 TYR 102 4.881 -9.688 -7.629 799 HE1 TYR 102 HE1 TYR 102 5.526 -9.300 -2.774 800 HE2 TYR 102 HE2 TYR 102 4.201 -11.529 -6.161 801 HH TYR 102 HH TYR 102 5.245 -12.072 -3.305 802 H ALA 103 HN ALA 103 8.924 -5.815 -6.068 803 HA ALA 103 HA ALA 103 8.872 -3.868 -8.265 804 HB1 ALA 103 HB1 ALA 103 8.777 -2.221 -6.745 805 HB2 ALA 103 HB2 ALA 103 8.217 -3.508 -5.674 806 HB3 ALA 103 HB3 ALA 103 9.914 -3.022 -5.657 807 H ALA 104 HN ALA 104 11.008 -5.548 -6.014 808 HA ALA 104 HA ALA 104 13.300 -4.441 -7.468 809 HB1 ALA 104 HB1 ALA 104 13.490 -6.170 -5.026 810 HB2 ALA 104 HB2 ALA 104 14.706 -5.088 -5.699 811 HB3 ALA 104 HB3 ALA 104 13.256 -4.424 -4.949 Start of MODEL 7 1 HA SER 1 HA SER 1 7.095 10.354 -1.632 2 HB2 SER 1 HB2 SER 1 6.382 11.039 -4.496 3 HB3 SER 1 HB3 SER 1 5.924 11.957 -3.062 4 HG SER 1 HG SER 1 7.739 12.886 -4.022 5 H VAL 2 HN VAL 2 5.750 8.892 -0.673 6 HA VAL 2 HA VAL 2 3.998 7.156 -2.016 7 HB VAL 2 HB VAL 2 3.655 8.216 0.798 8 HG11 VAL 2 HG11 VAL 2 2.600 5.941 1.100 9 HG12 VAL 2 HG12 VAL 2 1.685 7.080 0.113 10 HG13 VAL 2 HG13 VAL 2 2.613 5.793 -0.657 11 HG21 VAL 2 HG21 VAL 2 4.885 5.586 0.423 12 HG22 VAL 2 HG22 VAL 2 5.874 6.933 -0.142 13 HG23 VAL 2 HG23 VAL 2 5.309 6.893 1.528 14 H LYS 3 HN LYS 3 1.908 7.335 -2.687 15 HA LYS 3 HA LYS 3 0.814 10.048 -2.775 16 HB2 LYS 3 HB2 LYS 3 1.017 8.093 -4.726 17 HB3 LYS 3 HB3 LYS 3 -0.684 8.054 -4.268 18 HG2 LYS 3 HG2 LYS 3 0.087 10.747 -4.459 19 HG3 LYS 3 HG3 LYS 3 0.664 9.923 -5.893 20 HD2 LYS 3 HD2 LYS 3 -2.091 9.279 -5.074 21 HD3 LYS 3 HD3 LYS 3 -1.826 10.932 -5.629 22 HE2 LYS 3 HE2 LYS 3 -2.437 9.697 -7.541 23 HE3 LYS 3 HE3 LYS 3 -0.693 9.937 -7.654 24 HZ1 LYS 3 HZ1 LYS 3 -0.789 7.731 -8.092 25 HZ2 LYS 3 HZ2 LYS 3 -2.206 7.482 -7.204 26 HZ3 LYS 3 HZ3 LYS 3 -0.722 7.624 -6.405 27 H ILE 4 HN ILE 4 -1.136 10.605 -2.033 28 HA ILE 4 HA ILE 4 -2.529 8.588 -0.390 29 HB ILE 4 HB ILE 4 -1.572 10.426 0.932 30 HG12 ILE 4 HG12 ILE 4 -4.161 11.300 1.523 31 HG13 ILE 4 HG13 ILE 4 -4.381 9.691 0.843 32 HG21 ILE 4 HG21 ILE 4 -2.269 12.024 -1.190 33 HG22 ILE 4 HG22 ILE 4 -3.444 12.474 0.046 34 HG23 ILE 4 HG23 ILE 4 -1.718 12.586 0.388 35 HD11 ILE 4 HD11 ILE 4 -2.761 10.477 3.243 36 HD12 ILE 4 HD12 ILE 4 -4.176 9.427 3.175 37 HD13 ILE 4 HD13 ILE 4 -2.646 8.891 2.479 38 H VAL 5 HN VAL 5 -4.326 7.877 -1.378 39 HA VAL 5 HA VAL 5 -5.804 9.792 -3.062 40 HB VAL 5 HB VAL 5 -5.204 7.914 -4.350 41 HG11 VAL 5 HG11 VAL 5 -4.519 6.181 -3.072 42 HG12 VAL 5 HG12 VAL 5 -5.799 6.409 -1.881 43 HG13 VAL 5 HG13 VAL 5 -6.148 5.594 -3.405 44 HG21 VAL 5 HG21 VAL 5 -7.730 8.650 -4.217 45 HG22 VAL 5 HG22 VAL 5 -7.223 7.278 -5.203 46 HG23 VAL 5 HG23 VAL 5 -7.938 7.004 -3.615 47 H THR 6 HN THR 6 -7.600 10.637 -2.256 48 HA THR 6 HA THR 6 -8.783 9.467 0.133 49 HB THR 6 HB THR 6 -8.282 11.816 0.264 50 HG1 THR 6 HG1 THR 6 -10.493 12.573 0.683 51 HG21 THR 6 HG21 THR 6 -9.452 11.850 -2.399 52 HG22 THR 6 HG22 THR 6 -10.103 13.119 -1.362 53 HG23 THR 6 HG23 THR 6 -8.364 13.005 -1.631 54 H SER 7 HN SER 7 -9.410 9.230 -3.154 55 HA SER 7 HA SER 7 -12.311 9.050 -2.709 56 HB2 SER 7 HB2 SER 7 -11.268 8.638 -5.443 57 HB3 SER 7 HB3 SER 7 -12.623 9.619 -4.886 58 HG SER 7 HG SER 7 -11.349 11.267 -5.045 59 H GLN 8 HN GLN 8 -13.488 7.205 -3.382 60 HA GLN 8 HA GLN 8 -12.143 4.747 -2.832 61 HB2 GLN 8 HB2 GLN 8 -14.299 4.611 -2.080 62 HB3 GLN 8 HB3 GLN 8 -14.935 5.600 -3.382 63 HG2 GLN 8 HG2 GLN 8 -15.858 3.484 -3.694 64 HG3 GLN 8 HG3 GLN 8 -14.578 3.603 -4.895 65 HE21 GLN 8 HE21 GLN 8 -12.346 3.021 -3.473 66 HE22 GLN 8 HE22 GLN 8 -12.432 1.433 -2.861 67 H SER 9 HN SER 9 -13.700 6.032 -5.741 68 HA SER 9 HA SER 9 -12.989 3.885 -7.427 69 HB2 SER 9 HB2 SER 9 -13.282 5.907 -9.190 70 HB3 SER 9 HB3 SER 9 -14.651 5.080 -8.448 71 HG SER 9 HG SER 9 -14.876 7.322 -8.242 72 H GLU 10 HN GLU 10 -11.447 6.934 -6.589 73 HA GLU 10 HA GLU 10 -9.386 6.882 -8.495 74 HB2 GLU 10 HB2 GLU 10 -9.992 8.825 -7.021 75 HB3 GLU 10 HB3 GLU 10 -9.214 7.987 -5.687 76 HG2 GLU 10 HG2 GLU 10 -7.366 9.065 -6.274 77 HG3 GLU 10 HG3 GLU 10 -7.286 7.960 -7.646 78 H PHE 11 HN PHE 11 -9.748 5.384 -5.337 79 HA PHE 11 HA PHE 11 -7.104 4.404 -5.060 80 HB2 PHE 11 HB2 PHE 11 -8.354 4.346 -3.078 81 HB3 PHE 11 HB3 PHE 11 -9.785 3.740 -3.885 82 HD1 PHE 11 HD2 PHE 11 -6.277 2.618 -3.235 83 HD2 PHE 11 HD1 PHE 11 -10.401 1.624 -3.394 84 HE1 PHE 11 HE2 PHE 11 -5.759 0.341 -2.457 85 HE2 PHE 11 HE1 PHE 11 -9.899 -0.646 -2.619 86 HZ PHE 11 HZ PHE 11 -7.583 -1.290 -2.140 87 H ASP 12 HN ASP 12 -10.096 2.932 -6.211 88 HA ASP 12 HA ASP 12 -8.950 0.466 -7.026 89 HB2 ASP 12 HB2 ASP 12 -11.482 1.918 -7.725 90 HB3 ASP 12 HB3 ASP 12 -11.067 0.406 -8.516 91 H SER 13 HN SER 13 -9.367 3.562 -8.561 92 HA SER 13 HA SER 13 -8.916 2.780 -11.220 93 HB2 SER 13 HB2 SER 13 -9.876 4.979 -10.401 94 HB3 SER 13 HB3 SER 13 -8.229 5.466 -10.023 95 HG SER 13 HG SER 13 -7.786 5.638 -12.106 96 H ILE 14 HN ILE 14 -6.730 3.986 -8.699 97 HA ILE 14 HA ILE 14 -4.397 4.068 -10.281 98 HB ILE 14 HB ILE 14 -4.778 3.519 -7.330 99 HG12 ILE 14 HG12 ILE 14 -3.532 6.035 -8.178 100 HG13 ILE 14 HG13 ILE 14 -5.172 5.832 -8.785 101 HG21 ILE 14 HG21 ILE 14 -2.612 2.629 -8.151 102 HG22 ILE 14 HG22 ILE 14 -2.200 4.242 -8.731 103 HG23 ILE 14 HG23 ILE 14 -2.427 3.954 -7.006 104 HD11 ILE 14 HD11 ILE 14 -4.201 6.220 -6.031 105 HD12 ILE 14 HD12 ILE 14 -5.666 6.805 -6.818 106 HD13 ILE 14 HD13 ILE 14 -5.578 5.138 -6.249 107 H ILE 15 HN ILE 15 -5.986 1.498 -8.558 108 HA ILE 15 HA ILE 15 -3.981 -0.469 -8.687 109 HB ILE 15 HB ILE 15 -6.928 -1.097 -8.769 110 HG12 ILE 15 HG12 ILE 15 -6.542 0.672 -7.092 111 HG13 ILE 15 HG13 ILE 15 -6.944 -0.849 -6.357 112 HG21 ILE 15 HG21 ILE 15 -6.220 -3.170 -8.363 113 HG22 ILE 15 HG22 ILE 15 -4.546 -2.611 -8.370 114 HG23 ILE 15 HG23 ILE 15 -5.470 -2.607 -6.858 115 HD11 ILE 15 HD11 ILE 15 -4.318 0.524 -6.453 116 HD12 ILE 15 HD12 ILE 15 -5.208 -0.086 -5.057 117 HD13 ILE 15 HD13 ILE 15 -4.430 -1.216 -6.170 118 H SER 16 HN SER 16 -6.578 0.373 -10.931 119 HA SER 16 HA SER 16 -5.999 -1.788 -12.759 120 HB2 SER 16 HB2 SER 16 -7.942 -1.116 -13.913 121 HB3 SER 16 HB3 SER 16 -8.296 -0.817 -12.213 122 HG SER 16 HG SER 16 -7.544 1.396 -12.678 123 H GLN 17 HN GLN 17 -5.128 1.580 -12.592 124 HA GLN 17 HA GLN 17 -4.528 1.793 -15.412 125 HB2 GLN 17 HB2 GLN 17 -4.605 3.627 -13.123 126 HB3 GLN 17 HB3 GLN 17 -3.406 4.018 -14.340 127 HG2 GLN 17 HG2 GLN 17 -5.036 5.058 -15.416 128 HG3 GLN 17 HG3 GLN 17 -5.639 3.455 -15.816 129 HE21 GLN 17 HE21 GLN 17 -7.582 2.879 -15.139 130 HE22 GLN 17 HE22 GLN 17 -8.549 3.759 -14.011 131 H ASN 18 HN ASN 18 -2.907 0.040 -13.398 132 HA ASN 18 HA ASN 18 -0.364 0.603 -14.658 133 HB2 ASN 18 HB2 ASN 18 -0.554 0.468 -11.651 134 HB3 ASN 18 HB3 ASN 18 0.871 0.824 -12.605 135 HD21 ASN 18 HD21 ASN 18 -2.271 2.018 -11.631 136 HD22 ASN 18 HD22 ASN 18 -1.925 3.690 -11.895 137 H GLU 19 HN GLU 19 1.155 -1.124 -14.515 138 HA GLU 19 HA GLU 19 -0.043 -3.703 -14.542 139 HB2 GLU 19 HB2 GLU 19 2.078 -2.803 -15.791 140 HB3 GLU 19 HB3 GLU 19 2.921 -3.302 -14.331 141 HG2 GLU 19 HG2 GLU 19 2.818 -5.458 -14.874 142 HG3 GLU 19 HG3 GLU 19 1.128 -5.347 -15.363 143 H LEU 20 HN LEU 20 2.162 -2.086 -12.239 144 HA LEU 20 HA LEU 20 1.278 -4.108 -10.297 145 HB2 LEU 20 HB2 LEU 20 3.803 -4.007 -11.277 146 HB3 LEU 20 HB3 LEU 20 3.945 -2.903 -9.924 147 HG LEU 20 HG LEU 20 3.472 -4.571 -8.354 148 HD11 LEU 20 HD11 LEU 20 1.644 -5.772 -9.045 149 HD12 LEU 20 HD12 LEU 20 2.294 -6.037 -10.663 150 HD13 LEU 20 HD13 LEU 20 2.925 -6.957 -9.298 151 HD21 LEU 20 HD21 LEU 20 4.956 -6.275 -10.280 152 HD22 LEU 20 HD22 LEU 20 5.655 -4.718 -9.834 153 HD23 LEU 20 HD23 LEU 20 5.301 -5.915 -8.590 154 H VAL 21 HN VAL 21 0.431 -3.262 -8.490 155 HA VAL 21 HA VAL 21 1.136 -0.481 -7.871 156 HB VAL 21 HB VAL 21 -1.717 -1.490 -7.829 157 HG11 VAL 21 HG11 VAL 21 -2.313 0.417 -6.827 158 HG12 VAL 21 HG12 VAL 21 -0.620 0.508 -6.344 159 HG13 VAL 21 HG13 VAL 21 -1.178 1.382 -7.769 160 HG21 VAL 21 HG21 VAL 21 -0.507 0.503 -9.727 161 HG22 VAL 21 HG22 VAL 21 -0.737 -1.201 -10.118 162 HG23 VAL 21 HG23 VAL 21 -2.132 -0.181 -9.766 163 H ILE 22 HN ILE 22 1.835 -0.313 -5.859 164 HA ILE 22 HA ILE 22 0.735 -2.231 -3.902 165 HB ILE 22 HB ILE 22 3.117 -2.555 -4.229 166 HG12 ILE 22 HG12 ILE 22 1.963 -2.805 -1.977 167 HG13 ILE 22 HG13 ILE 22 3.717 -2.693 -1.957 168 HG21 ILE 22 HG21 ILE 22 3.619 0.182 -3.118 169 HG22 ILE 22 HG22 ILE 22 4.764 -0.932 -3.866 170 HG23 ILE 22 HG23 ILE 22 3.537 -0.136 -4.849 171 HD11 ILE 22 HD11 ILE 22 2.736 -0.069 -1.702 172 HD12 ILE 22 HD12 ILE 22 1.793 -1.086 -0.613 173 HD13 ILE 22 HD13 ILE 22 3.552 -1.056 -0.489 174 H VAL 23 HN VAL 23 -0.397 -1.452 -2.361 175 HA VAL 23 HA VAL 23 -0.192 1.408 -1.701 176 HB VAL 23 HB VAL 23 -2.162 1.051 -3.138 177 HG11 VAL 23 HG11 VAL 23 -3.944 -0.258 -1.422 178 HG12 VAL 23 HG12 VAL 23 -3.333 -0.817 -2.976 179 HG13 VAL 23 HG13 VAL 23 -2.497 -1.263 -1.488 180 HG21 VAL 23 HG21 VAL 23 -3.328 2.580 -1.989 181 HG22 VAL 23 HG22 VAL 23 -3.511 1.526 -0.587 182 HG23 VAL 23 HG23 VAL 23 -2.031 2.461 -0.800 183 H ASP 24 HN ASP 24 -0.443 1.930 0.387 184 HA ASP 24 HA ASP 24 -0.506 -0.358 2.211 185 HB2 ASP 24 HB2 ASP 24 1.395 0.574 2.952 186 HB3 ASP 24 HB3 ASP 24 1.084 2.090 2.136 187 H PHE 25 HN PHE 25 -2.381 -0.717 3.062 188 HA PHE 25 HA PHE 25 -4.297 1.427 3.522 189 HB2 PHE 25 HB2 PHE 25 -4.490 -1.532 4.222 190 HB3 PHE 25 HB3 PHE 25 -5.820 -0.380 4.155 191 HD1 PHE 25 HD2 PHE 25 -3.276 -2.089 2.036 192 HD2 PHE 25 HD1 PHE 25 -7.008 -0.041 2.152 193 HE1 PHE 25 HE2 PHE 25 -3.653 -2.651 -0.328 194 HE2 PHE 25 HE1 PHE 25 -7.393 -0.612 -0.209 195 HZ PHE 25 HZ PHE 25 -5.710 -1.919 -1.484 196 H PHE 26 HN PHE 26 -3.920 2.615 5.316 197 HA PHE 26 HA PHE 26 -2.780 1.141 7.510 198 HB2 PHE 26 HB2 PHE 26 -1.254 3.121 8.009 199 HB3 PHE 26 HB3 PHE 26 -1.018 2.510 6.381 200 HD1 PHE 26 HD2 PHE 26 -2.747 3.709 4.625 201 HD2 PHE 26 HD1 PHE 26 -1.176 5.425 8.199 202 HE1 PHE 26 HE2 PHE 26 -3.184 5.956 3.725 203 HE2 PHE 26 HE1 PHE 26 -1.585 7.669 7.286 204 HZ PHE 26 HZ PHE 26 -2.568 7.941 5.050 205 H ALA 27 HN ALA 27 -2.944 3.363 9.877 206 HA ALA 27 HA ALA 27 -5.357 4.863 9.387 207 HB1 ALA 27 HB1 ALA 27 -6.267 2.713 10.175 208 HB2 ALA 27 HB2 ALA 27 -5.166 2.692 11.543 209 HB3 ALA 27 HB3 ALA 27 -6.470 3.901 11.467 210 H GLU 28 HN GLU 28 -5.190 6.788 10.324 211 HA GLU 28 HA GLU 28 -2.843 8.153 10.957 212 HB2 GLU 28 HB2 GLU 28 -5.188 8.891 10.531 213 HB3 GLU 28 HB3 GLU 28 -5.477 8.804 12.266 214 HG2 GLU 28 HG2 GLU 28 -3.126 10.120 12.173 215 HG3 GLU 28 HG3 GLU 28 -3.908 10.706 10.707 216 H TRP 29 HN TRP 29 -3.948 5.857 14.008 217 HA TRP 29 HA TRP 29 -2.961 8.190 16.117 218 HB2 TRP 29 HB2 TRP 29 -4.717 6.673 17.483 219 HB3 TRP 29 HB3 TRP 29 -5.395 7.759 16.303 220 HD1 TRP 29 HD1 TRP 29 -7.667 6.469 14.589 221 HE1 TRP 29 HE1 TRP 29 -8.226 4.009 14.348 222 HE3 TRP 29 HE3 TRP 29 -4.188 4.193 17.942 223 HZ2 TRP 29 HZ2 TRP 29 -7.543 1.535 15.373 224 HZ3 TRP 29 HZ3 TRP 29 -4.363 1.764 18.200 225 HH2 TRP 29 HH2 TRP 29 -6.029 0.471 16.977 226 H CYS 30 HN CYS 30 -1.744 5.005 14.299 227 HA CYS 30 HA CYS 30 -0.775 4.042 16.897 228 HB2 CYS 30 HB2 CYS 30 -0.018 2.107 15.346 229 HB3 CYS 30 HB3 CYS 30 -1.730 2.285 15.710 230 H GLY 31 HN GLY 31 1.420 3.353 17.112 231 HA2 GLY 31 HA2 GLY 31 3.305 5.288 16.218 232 HA3 GLY 31 HA3 GLY 31 3.667 3.831 17.127 233 HA PRO 32 HA PRO 32 5.078 1.483 13.612 234 HB2 PRO 32 HB2 PRO 32 3.071 -0.172 12.725 235 HB3 PRO 32 HB3 PRO 32 4.133 -0.509 14.092 236 HG2 PRO 32 HG2 PRO 32 1.366 0.655 14.074 237 HG3 PRO 32 HG3 PRO 32 2.032 -0.583 15.146 238 HD2 PRO 32 HD2 PRO 32 1.791 1.911 15.983 239 HD3 PRO 32 HD3 PRO 32 3.240 0.977 16.397 240 H CYS 33 HN CYS 33 1.657 2.326 12.831 241 HA CYS 33 HA CYS 33 1.896 2.288 10.086 242 HB2 CYS 33 HB2 CYS 33 0.209 4.318 10.230 243 HB3 CYS 33 HB3 CYS 33 -0.273 2.703 10.731 244 H LYS 34 HN LYS 34 2.509 5.110 12.177 245 HA LYS 34 HA LYS 34 3.518 6.747 10.080 246 HB2 LYS 34 HB2 LYS 34 2.603 7.525 12.314 247 HB3 LYS 34 HB3 LYS 34 4.135 7.031 13.020 248 HG2 LYS 34 HG2 LYS 34 5.140 8.894 12.356 249 HG3 LYS 34 HG3 LYS 34 4.539 8.715 10.707 250 HD2 LYS 34 HD2 LYS 34 2.585 9.907 11.163 251 HD3 LYS 34 HD3 LYS 34 2.745 9.683 12.906 252 HE2 LYS 34 HE2 LYS 34 4.562 11.225 13.011 253 HE3 LYS 34 HE3 LYS 34 4.670 11.304 11.253 254 HZ1 LYS 34 HZ1 LYS 34 2.832 12.643 13.059 255 HZ2 LYS 34 HZ2 LYS 34 2.154 12.070 11.620 256 HZ3 LYS 34 HZ3 LYS 34 3.452 13.153 11.570 257 H ARG 35 HN ARG 35 4.967 4.507 12.319 258 HA ARG 35 HA ARG 35 7.673 5.239 11.941 259 HB2 ARG 35 HB2 ARG 35 6.827 4.028 13.917 260 HB3 ARG 35 HB3 ARG 35 6.551 2.612 12.913 261 HG2 ARG 35 HG2 ARG 35 8.716 2.032 12.905 262 HG3 ARG 35 HG3 ARG 35 9.272 3.702 12.784 263 HD2 ARG 35 HD2 ARG 35 8.814 4.026 15.164 264 HD3 ARG 35 HD3 ARG 35 8.251 2.359 15.285 265 HE ARG 35 HE ARG 35 10.752 2.080 14.312 266 HH11 ARG 35 HH11 ARG 35 9.453 3.825 17.041 267 HH12 ARG 35 HH12 ARG 35 10.895 3.667 17.987 268 HH21 ARG 35 HH21 ARG 35 12.649 1.871 15.555 269 HH22 ARG 35 HH22 ARG 35 12.709 2.558 17.144 270 H ILE 36 HN ILE 36 5.577 3.128 10.153 271 HA ILE 36 HA ILE 36 7.733 1.760 8.853 272 HB ILE 36 HB ILE 36 5.633 0.593 9.297 273 HG12 ILE 36 HG12 ILE 36 5.495 -0.580 7.237 274 HG13 ILE 36 HG13 ILE 36 5.963 0.841 6.311 275 HG21 ILE 36 HG21 ILE 36 3.959 2.198 9.085 276 HG22 ILE 36 HG22 ILE 36 4.474 2.652 7.460 277 HG23 ILE 36 HG23 ILE 36 3.697 1.091 7.739 278 HD11 ILE 36 HD11 ILE 36 7.791 -0.541 8.251 279 HD12 ILE 36 HD12 ILE 36 7.704 -0.937 6.535 280 HD13 ILE 36 HD13 ILE 36 8.207 0.675 7.042 281 H ALA 37 HN ALA 37 6.005 4.670 8.405 282 HA ALA 37 HA ALA 37 5.984 4.944 5.622 283 HB1 ALA 37 HB1 ALA 37 6.246 7.499 6.411 284 HB2 ALA 37 HB2 ALA 37 4.737 6.591 6.515 285 HB3 ALA 37 HB3 ALA 37 5.770 6.753 7.936 286 HA PRO 38 HA PRO 38 10.311 7.313 6.309 287 HB2 PRO 38 HB2 PRO 38 11.330 5.340 8.298 288 HB3 PRO 38 HB3 PRO 38 11.654 7.072 8.163 289 HG2 PRO 38 HG2 PRO 38 9.998 6.134 10.029 290 HG3 PRO 38 HG3 PRO 38 9.663 7.660 9.191 291 HD2 PRO 38 HD2 PRO 38 8.395 4.990 8.838 292 HD3 PRO 38 HD3 PRO 38 7.684 6.605 8.687 293 H PHE 39 HN PHE 39 10.174 3.784 6.889 294 HA PHE 39 HA PHE 39 12.302 3.271 5.021 295 HB2 PHE 39 HB2 PHE 39 11.896 1.774 6.922 296 HB3 PHE 39 HB3 PHE 39 10.314 1.358 6.264 297 HD1 PHE 39 HD2 PHE 39 13.949 1.218 5.530 298 HD2 PHE 39 HD1 PHE 39 10.085 -0.355 4.703 299 HE1 PHE 39 HE2 PHE 39 14.969 -0.573 4.184 300 HE2 PHE 39 HE1 PHE 39 11.095 -2.145 3.359 301 HZ PHE 39 HZ PHE 39 13.534 -2.254 3.093 302 H TYR 40 HN TYR 40 8.831 3.267 5.043 303 HA TYR 40 HA TYR 40 8.312 1.996 2.597 304 HB2 TYR 40 HB2 TYR 40 6.743 2.836 4.538 305 HB3 TYR 40 HB3 TYR 40 6.685 4.329 3.583 306 HD1 TYR 40 HD1 TYR 40 6.816 0.919 2.120 307 HD2 TYR 40 HD2 TYR 40 4.382 4.267 3.104 308 HE1 TYR 40 HE1 TYR 40 4.978 -0.034 0.795 309 HE2 TYR 40 HE2 TYR 40 2.539 3.328 1.786 310 HH TYR 40 HH TYR 40 2.254 0.299 0.921 311 H GLU 41 HN GLU 41 9.194 5.273 3.462 312 HA GLU 41 HA GLU 41 8.748 6.443 0.906 313 HB2 GLU 41 HB2 GLU 41 9.184 8.345 1.998 314 HB3 GLU 41 HB3 GLU 41 9.384 7.374 3.446 315 HG2 GLU 41 HG2 GLU 41 11.771 7.255 3.079 316 HG3 GLU 41 HG3 GLU 41 11.604 8.131 1.557 317 H GLU 42 HN GLU 42 11.645 5.104 2.470 318 HA GLU 42 HA GLU 42 13.476 5.770 0.451 319 HB2 GLU 42 HB2 GLU 42 13.470 3.479 2.422 320 HB3 GLU 42 HB3 GLU 42 14.835 3.872 1.387 321 HG2 GLU 42 HG2 GLU 42 14.917 6.117 2.426 322 HG3 GLU 42 HG3 GLU 42 13.634 5.614 3.526 323 H CYS 43 HN CYS 43 11.445 2.936 0.941 324 HA CYS 43 HA CYS 43 12.352 1.349 -1.182 325 HB2 CYS 43 HB2 CYS 43 9.645 1.520 0.172 326 HB3 CYS 43 HB3 CYS 43 10.178 0.183 -0.819 327 HG CYS 43 HG CYS 43 10.704 -1.043 1.403 328 H SER 44 HN SER 44 10.000 3.951 -1.039 329 HA SER 44 HA SER 44 8.841 3.524 -3.590 330 HB2 SER 44 HB2 SER 44 7.721 5.580 -3.234 331 HB3 SER 44 HB3 SER 44 7.911 4.873 -1.629 332 HG SER 44 HG SER 44 9.878 6.211 -1.522 333 H LYS 45 HN LYS 45 11.789 5.060 -2.610 334 HA LYS 45 HA LYS 45 12.054 6.700 -4.945 335 HB2 LYS 45 HB2 LYS 45 13.357 6.357 -2.396 336 HB3 LYS 45 HB3 LYS 45 14.537 6.486 -3.687 337 HG2 LYS 45 HG2 LYS 45 12.939 8.509 -4.371 338 HG3 LYS 45 HG3 LYS 45 12.644 8.488 -2.633 339 HD2 LYS 45 HD2 LYS 45 15.375 8.603 -3.912 340 HD3 LYS 45 HD3 LYS 45 14.494 10.002 -3.294 341 HE2 LYS 45 HE2 LYS 45 14.767 7.746 -1.420 342 HE3 LYS 45 HE3 LYS 45 16.273 8.558 -1.851 343 HZ1 LYS 45 HZ1 LYS 45 14.094 10.342 -1.209 344 HZ2 LYS 45 HZ2 LYS 45 15.707 10.376 -0.702 345 HZ3 LYS 45 HZ3 LYS 45 14.596 9.371 0.083 346 H THR 46 HN THR 46 13.300 3.539 -3.973 347 HA THR 46 HA THR 46 15.014 3.427 -6.345 348 HB THR 46 HB THR 46 14.895 1.996 -3.738 349 HG1 THR 46 HG1 THR 46 16.501 3.509 -4.005 350 HG21 THR 46 HG21 THR 46 14.808 0.009 -4.904 351 HG22 THR 46 HG22 THR 46 15.640 0.666 -6.313 352 HG23 THR 46 HG23 THR 46 16.548 0.291 -4.849 353 H TYR 47 HN TYR 47 12.180 2.057 -4.955 354 HA TYR 47 HA TYR 47 11.911 -0.014 -6.924 355 HB2 TYR 47 HB2 TYR 47 9.951 0.739 -4.759 356 HB3 TYR 47 HB3 TYR 47 10.000 -0.762 -5.675 357 HD1 TYR 47 HD2 TYR 47 13.075 -1.076 -5.542 358 HD2 TYR 47 HD1 TYR 47 10.118 -0.234 -2.630 359 HE1 TYR 47 HE2 TYR 47 14.525 -2.048 -3.807 360 HE2 TYR 47 HE1 TYR 47 11.550 -1.194 -0.862 361 HH TYR 47 HH TYR 47 13.967 -1.622 -0.502 362 H THR 48 HN THR 48 11.618 2.999 -7.516 363 HA THR 48 HA THR 48 9.049 3.769 -7.963 364 HB THR 48 HB THR 48 9.893 5.300 -9.683 365 HG1 THR 48 HG1 THR 48 12.059 5.148 -10.310 366 HG21 THR 48 HG21 THR 48 11.717 5.010 -7.292 367 HG22 THR 48 HG22 THR 48 11.507 6.467 -8.264 368 HG23 THR 48 HG23 THR 48 10.163 5.844 -7.307 369 H LYS 49 HN LYS 49 10.156 0.994 -9.441 370 HA LYS 49 HA LYS 49 8.895 1.409 -12.006 371 HB2 LYS 49 HB2 LYS 49 9.390 -1.345 -10.983 372 HB3 LYS 49 HB3 LYS 49 9.650 -0.676 -12.579 373 HG2 LYS 49 HG2 LYS 49 11.811 -0.579 -12.143 374 HG3 LYS 49 HG3 LYS 49 11.470 0.650 -10.925 375 HD2 LYS 49 HD2 LYS 49 11.401 -0.934 -9.192 376 HD3 LYS 49 HD3 LYS 49 11.245 -2.282 -10.321 377 HE2 LYS 49 HE2 LYS 49 13.449 -2.537 -9.974 378 HE3 LYS 49 HE3 LYS 49 13.604 -1.203 -11.116 379 HZ1 LYS 49 HZ1 LYS 49 13.250 -0.588 -8.270 380 HZ2 LYS 49 HZ2 LYS 49 14.077 0.280 -9.463 381 HZ3 LYS 49 HZ3 LYS 49 14.768 -1.114 -8.801 382 H MET 50 HN MET 50 8.061 0.461 -8.840 383 HA MET 50 HA MET 50 5.346 -0.513 -9.528 384 HB2 MET 50 HB2 MET 50 6.609 -1.982 -8.046 385 HB3 MET 50 HB3 MET 50 7.083 -0.633 -7.043 386 HG2 MET 50 HG2 MET 50 5.012 -0.447 -6.064 387 HG3 MET 50 HG3 MET 50 4.221 -1.378 -7.323 388 HE1 MET 50 HE1 MET 50 4.606 -4.770 -6.801 389 HE2 MET 50 HE2 MET 50 6.316 -4.440 -7.061 390 HE3 MET 50 HE3 MET 50 5.101 -3.543 -7.965 391 H VAL 51 HN VAL 51 3.611 0.503 -8.624 392 HA VAL 51 HA VAL 51 4.113 3.308 -8.051 393 HB VAL 51 HB VAL 51 2.151 1.879 -9.484 394 HG11 VAL 51 HG11 VAL 51 0.080 2.617 -8.651 395 HG12 VAL 51 HG12 VAL 51 0.922 1.847 -7.313 396 HG13 VAL 51 HG13 VAL 51 0.848 3.603 -7.407 397 HG21 VAL 51 HG21 VAL 51 1.637 3.991 -10.364 398 HG22 VAL 51 HG22 VAL 51 2.195 4.814 -8.904 399 HG23 VAL 51 HG23 VAL 51 3.358 4.016 -9.967 400 H PHE 52 HN PHE 52 3.929 4.235 -6.124 401 HA PHE 52 HA PHE 52 2.864 2.606 -3.930 402 HB2 PHE 52 HB2 PHE 52 4.888 4.838 -3.973 403 HB3 PHE 52 HB3 PHE 52 4.143 4.291 -2.480 404 HD1 PHE 52 HD2 PHE 52 5.638 2.701 -5.447 405 HD2 PHE 52 HD1 PHE 52 5.507 2.926 -1.225 406 HE1 PHE 52 HE2 PHE 52 7.363 0.952 -5.326 407 HE2 PHE 52 HE1 PHE 52 7.236 1.179 -1.071 408 HZ PHE 52 HZ PHE 52 8.165 0.195 -3.132 409 H ILE 53 HN ILE 53 0.978 3.079 -3.189 410 HA ILE 53 HA ILE 53 0.196 5.932 -2.999 411 HB ILE 53 HB ILE 53 -2.222 4.964 -3.255 412 HG12 ILE 53 HG12 ILE 53 -1.283 2.610 -3.383 413 HG13 ILE 53 HG13 ILE 53 -2.457 3.042 -4.610 414 HG21 ILE 53 HG21 ILE 53 -2.151 6.248 -5.060 415 HG22 ILE 53 HG22 ILE 53 -0.391 6.227 -4.977 416 HG23 ILE 53 HG23 ILE 53 -1.242 5.024 -5.943 417 HD11 ILE 53 HD11 ILE 53 -1.013 2.700 -6.262 418 HD12 ILE 53 HD12 ILE 53 0.278 3.567 -5.435 419 HD13 ILE 53 HD13 ILE 53 -0.027 1.872 -5.058 420 H LYS 54 HN LYS 54 -1.550 6.256 -1.364 421 HA LYS 54 HA LYS 54 -1.464 4.293 0.827 422 HB2 LYS 54 HB2 LYS 54 -0.566 7.114 0.827 423 HB3 LYS 54 HB3 LYS 54 -1.686 6.730 2.119 424 HG2 LYS 54 HG2 LYS 54 -0.216 5.155 3.067 425 HG3 LYS 54 HG3 LYS 54 0.803 5.112 1.629 426 HD2 LYS 54 HD2 LYS 54 1.926 6.404 3.294 427 HD3 LYS 54 HD3 LYS 54 1.370 7.499 2.026 428 HE2 LYS 54 HE2 LYS 54 -0.587 8.064 3.416 429 HE3 LYS 54 HE3 LYS 54 0.037 7.019 4.690 430 HZ1 LYS 54 HZ1 LYS 54 1.368 9.447 3.615 431 HZ2 LYS 54 HZ2 LYS 54 2.014 8.429 4.801 432 HZ3 LYS 54 HZ3 LYS 54 0.606 9.311 5.119 433 H VAL 55 HN VAL 55 -3.400 3.761 1.498 434 HA VAL 55 HA VAL 55 -5.622 5.632 1.081 435 HB VAL 55 HB VAL 55 -5.597 2.686 0.443 436 HG11 VAL 55 HG11 VAL 55 -7.926 4.596 0.364 437 HG12 VAL 55 HG12 VAL 55 -7.938 2.949 -0.276 438 HG13 VAL 55 HG13 VAL 55 -7.733 3.225 1.457 439 HG21 VAL 55 HG21 VAL 55 -5.280 3.213 -1.678 440 HG22 VAL 55 HG22 VAL 55 -6.528 4.459 -1.631 441 HG23 VAL 55 HG23 VAL 55 -4.883 4.837 -1.119 442 H ASP 56 HN ASP 56 -6.449 6.099 2.965 443 HA ASP 56 HA ASP 56 -6.005 4.402 5.257 444 HB2 ASP 56 HB2 ASP 56 -7.415 7.062 5.004 445 HB3 ASP 56 HB3 ASP 56 -6.989 6.281 6.517 446 H VAL 57 HN VAL 57 -7.774 3.903 6.761 447 HA VAL 57 HA VAL 57 -9.946 2.680 5.327 448 HB VAL 57 HB VAL 57 -10.575 1.674 7.428 449 HG11 VAL 57 HG11 VAL 57 -7.738 1.663 6.604 450 HG12 VAL 57 HG12 VAL 57 -8.106 0.945 8.173 451 HG13 VAL 57 HG13 VAL 57 -8.895 0.337 6.717 452 HG21 VAL 57 HG21 VAL 57 -10.346 3.575 8.903 453 HG22 VAL 57 HG22 VAL 57 -9.398 2.227 9.531 454 HG23 VAL 57 HG23 VAL 57 -8.594 3.560 8.702 455 H ASP 58 HN ASP 58 -9.401 5.424 7.386 456 HA ASP 58 HA ASP 58 -12.142 5.999 7.894 457 HB2 ASP 58 HB2 ASP 58 -11.207 8.221 8.683 458 HB3 ASP 58 HB3 ASP 58 -10.582 6.791 9.498 459 H GLU 59 HN GLU 59 -9.867 6.812 5.400 460 HA GLU 59 HA GLU 59 -11.273 9.060 4.365 461 HB2 GLU 59 HB2 GLU 59 -9.076 7.291 3.349 462 HB3 GLU 59 HB3 GLU 59 -9.852 8.437 2.264 463 HG2 GLU 59 HG2 GLU 59 -9.289 9.951 4.496 464 HG3 GLU 59 HG3 GLU 59 -7.894 8.882 4.357 465 H VAL 60 HN VAL 60 -11.383 5.597 3.764 466 HA VAL 60 HA VAL 60 -13.945 5.874 2.491 467 HB VAL 60 HB VAL 60 -13.052 4.430 0.483 468 HG11 VAL 60 HG11 VAL 60 -13.431 6.247 -0.807 469 HG12 VAL 60 HG12 VAL 60 -13.971 6.935 0.724 470 HG13 VAL 60 HG13 VAL 60 -12.347 7.276 0.128 471 HG21 VAL 60 HG21 VAL 60 -10.746 4.285 1.246 472 HG22 VAL 60 HG22 VAL 60 -10.835 5.168 -0.279 473 HG23 VAL 60 HG23 VAL 60 -10.615 6.044 1.236 474 H SER 61 HN SER 61 -14.761 4.497 4.013 475 HA SER 61 HA SER 61 -13.616 2.116 4.912 476 HB2 SER 61 HB2 SER 61 -15.953 3.535 5.428 477 HB3 SER 61 HB3 SER 61 -16.527 1.990 4.802 478 HG SER 61 HG SER 61 -14.656 2.312 6.914 479 H GLU 62 HN GLU 62 -15.523 2.816 2.070 480 HA GLU 62 HA GLU 62 -16.295 0.251 1.317 481 HB2 GLU 62 HB2 GLU 62 -15.706 2.761 -0.210 482 HB3 GLU 62 HB3 GLU 62 -16.055 1.272 -1.077 483 HG2 GLU 62 HG2 GLU 62 -17.978 1.793 1.029 484 HG3 GLU 62 HG3 GLU 62 -17.891 3.106 -0.145 485 H VAL 63 HN VAL 63 -13.192 1.815 1.130 486 HA VAL 63 HA VAL 63 -12.001 0.031 -0.741 487 HB VAL 63 HB VAL 63 -10.758 1.841 1.339 488 HG11 VAL 63 HG11 VAL 63 -8.885 1.351 -0.668 489 HG12 VAL 63 HG12 VAL 63 -8.841 0.773 0.997 490 HG13 VAL 63 HG13 VAL 63 -9.555 -0.229 -0.266 491 HG21 VAL 63 HG21 VAL 63 -11.963 3.046 -0.390 492 HG22 VAL 63 HG22 VAL 63 -10.227 3.278 -0.584 493 HG23 VAL 63 HG23 VAL 63 -11.091 2.167 -1.647 494 H THR 64 HN THR 64 -12.360 0.110 2.726 495 HA THR 64 HA THR 64 -10.586 -1.999 3.348 496 HB THR 64 HB THR 64 -12.989 -0.956 4.859 497 HG1 THR 64 HG1 THR 64 -11.686 0.655 5.242 498 HG21 THR 64 HG21 THR 64 -12.339 -2.154 6.729 499 HG22 THR 64 HG22 THR 64 -11.972 -3.306 5.445 500 HG23 THR 64 HG23 THR 64 -10.680 -2.343 6.160 501 H GLU 65 HN GLU 65 -14.059 -1.876 2.688 502 HA GLU 65 HA GLU 65 -14.558 -4.618 3.239 503 HB2 GLU 65 HB2 GLU 65 -16.304 -2.884 3.317 504 HB3 GLU 65 HB3 GLU 65 -16.172 -2.682 1.575 505 HG2 GLU 65 HG2 GLU 65 -16.816 -5.084 1.332 506 HG3 GLU 65 HG3 GLU 65 -17.136 -5.109 3.066 507 H LYS 66 HN LYS 66 -14.178 -2.845 0.173 508 HA LYS 66 HA LYS 66 -14.634 -4.977 -1.553 509 HB2 LYS 66 HB2 LYS 66 -13.494 -3.663 -3.251 510 HB3 LYS 66 HB3 LYS 66 -14.529 -2.637 -2.269 511 HG2 LYS 66 HG2 LYS 66 -12.667 -1.338 -2.372 512 HG3 LYS 66 HG3 LYS 66 -12.317 -2.259 -0.910 513 HD2 LYS 66 HD2 LYS 66 -10.332 -2.512 -2.018 514 HD3 LYS 66 HD3 LYS 66 -11.200 -3.914 -2.639 515 HE2 LYS 66 HE2 LYS 66 -11.371 -1.302 -4.065 516 HE3 LYS 66 HE3 LYS 66 -9.952 -2.327 -4.276 517 HZ1 LYS 66 HZ1 LYS 66 -12.610 -2.644 -5.322 518 HZ2 LYS 66 HZ2 LYS 66 -12.017 -4.052 -4.597 519 HZ3 LYS 66 HZ3 LYS 66 -11.153 -3.321 -5.852 520 H GLU 67 HN GLU 67 -11.734 -4.136 0.216 521 HA GLU 67 HA GLU 67 -10.244 -6.236 -1.176 522 HB2 GLU 67 HB2 GLU 67 -9.508 -3.771 0.257 523 HB3 GLU 67 HB3 GLU 67 -8.467 -5.149 0.589 524 HG2 GLU 67 HG2 GLU 67 -9.122 -4.085 -2.143 525 HG3 GLU 67 HG3 GLU 67 -7.638 -3.763 -1.249 526 H ASN 68 HN ASN 68 -12.321 -6.080 1.236 527 HA ASN 68 HA ASN 68 -12.765 -7.228 3.123 528 HB2 ASN 68 HB2 ASN 68 -12.513 -9.505 2.924 529 HB3 ASN 68 HB3 ASN 68 -12.410 -8.987 1.259 530 HD21 ASN 68 HD21 ASN 68 -10.543 -9.276 0.133 531 HD22 ASN 68 HD22 ASN 68 -9.182 -10.145 0.747 532 H ILE 69 HN ILE 69 -10.723 -5.367 3.374 533 HA ILE 69 HA ILE 69 -8.397 -6.268 4.655 534 HB ILE 69 HB ILE 69 -9.922 -3.692 5.038 535 HG12 ILE 69 HG12 ILE 69 -8.990 -4.299 2.702 536 HG13 ILE 69 HG13 ILE 69 -8.595 -2.721 3.366 537 HG21 ILE 69 HG21 ILE 69 -7.429 -4.692 6.219 538 HG22 ILE 69 HG22 ILE 69 -7.386 -3.037 5.610 539 HG23 ILE 69 HG23 ILE 69 -8.583 -3.501 6.821 540 HD11 ILE 69 HD11 ILE 69 -6.426 -3.148 3.320 541 HD12 ILE 69 HD12 ILE 69 -6.638 -4.720 4.089 542 HD13 ILE 69 HD13 ILE 69 -6.827 -4.560 2.342 543 H THR 70 HN THR 70 -8.261 -7.450 6.469 544 HA THR 70 HA THR 70 -10.378 -7.123 8.480 545 HB THR 70 HB THR 70 -10.065 -9.346 9.141 546 HG1 THR 70 HG1 THR 70 -7.713 -9.415 7.535 547 HG21 THR 70 HG21 THR 70 -9.532 -9.990 6.340 548 HG22 THR 70 HG22 THR 70 -10.950 -10.335 7.331 549 HG23 THR 70 HG23 THR 70 -10.772 -8.757 6.565 550 H SER 71 HN SER 71 -6.845 -7.354 8.122 551 HA SER 71 HA SER 71 -6.635 -6.355 10.892 552 HB2 SER 71 HB2 SER 71 -5.060 -8.498 9.505 553 HB3 SER 71 HB3 SER 71 -4.344 -7.587 10.834 554 HG SER 71 HG SER 71 -5.344 -9.024 12.007 555 H MET 72 HN MET 72 -5.324 -4.684 11.304 556 HA MET 72 HA MET 72 -3.755 -3.571 9.066 557 HB2 MET 72 HB2 MET 72 -4.773 -1.595 9.365 558 HB3 MET 72 HB3 MET 72 -5.874 -2.396 10.473 559 HG2 MET 72 HG2 MET 72 -3.271 -1.160 11.328 560 HG3 MET 72 HG3 MET 72 -4.810 -0.304 11.324 561 HE1 MET 72 HE1 MET 72 -6.916 -1.042 13.216 562 HE2 MET 72 HE2 MET 72 -5.683 0.218 13.284 563 HE3 MET 72 HE3 MET 72 -5.989 -0.793 14.696 564 HA PRO 73 HA PRO 73 -2.392 -1.669 8.941 565 HB2 PRO 73 HB2 PRO 73 0.205 -1.534 8.273 566 HB3 PRO 73 HB3 PRO 73 -0.438 -0.570 9.613 567 HG2 PRO 73 HG2 PRO 73 0.995 -3.201 9.703 568 HG3 PRO 73 HG3 PRO 73 1.301 -1.742 10.664 569 HD2 PRO 73 HD2 PRO 73 -0.137 -3.824 11.616 570 HD3 PRO 73 HD3 PRO 73 -0.496 -2.143 12.063 571 H THR 74 HN THR 74 -2.302 -2.195 6.715 572 HA THR 74 HA THR 74 -1.271 -4.867 6.058 573 HB THR 74 HB THR 74 -3.612 -4.136 4.479 574 HG1 THR 74 HG1 THR 74 -5.011 -4.749 6.342 575 HG21 THR 74 HG21 THR 74 -2.536 -6.353 4.476 576 HG22 THR 74 HG22 THR 74 -2.963 -6.550 6.176 577 HG23 THR 74 HG23 THR 74 -4.230 -6.444 4.955 578 H PHE 75 HN PHE 75 -0.128 -5.029 4.243 579 HA PHE 75 HA PHE 75 -0.066 -2.764 2.341 580 HB2 PHE 75 HB2 PHE 75 2.181 -4.603 3.195 581 HB3 PHE 75 HB3 PHE 75 2.278 -3.538 1.805 582 HD1 PHE 75 HD1 PHE 75 0.434 -1.643 3.936 583 HD2 PHE 75 HD2 PHE 75 4.381 -3.215 3.599 584 HE1 PHE 75 HE1 PHE 75 1.278 0.148 5.396 585 HE2 PHE 75 HE2 PHE 75 5.218 -1.422 5.072 586 HZ PHE 75 HZ PHE 75 3.666 0.258 5.962 587 H LYS 76 HN LYS 76 -1.012 -3.320 0.481 588 HA LYS 76 HA LYS 76 -0.759 -6.127 -0.378 589 HB2 LYS 76 HB2 LYS 76 -3.097 -4.387 -0.211 590 HB3 LYS 76 HB3 LYS 76 -2.926 -5.154 -1.779 591 HG2 LYS 76 HG2 LYS 76 -4.318 -6.482 -0.331 592 HG3 LYS 76 HG3 LYS 76 -2.804 -7.331 -0.662 593 HD2 LYS 76 HD2 LYS 76 -2.992 -7.600 1.619 594 HD3 LYS 76 HD3 LYS 76 -1.996 -6.153 1.503 595 HE2 LYS 76 HE2 LYS 76 -3.518 -5.256 2.913 596 HE3 LYS 76 HE3 LYS 76 -4.504 -5.093 1.462 597 HZ1 LYS 76 HZ1 LYS 76 -4.584 -7.558 3.084 598 HZ2 LYS 76 HZ2 LYS 76 -5.734 -6.972 1.991 599 HZ3 LYS 76 HZ3 LYS 76 -5.531 -6.217 3.490 600 H VAL 77 HN VAL 77 -0.198 -6.582 -2.395 601 HA VAL 77 HA VAL 77 0.527 -4.301 -4.112 602 HB VAL 77 HB VAL 77 1.755 -7.068 -4.036 603 HG11 VAL 77 HG11 VAL 77 1.500 -5.701 -6.303 604 HG12 VAL 77 HG12 VAL 77 2.904 -4.852 -5.655 605 HG13 VAL 77 HG13 VAL 77 2.969 -6.596 -5.919 606 HG21 VAL 77 HG21 VAL 77 3.643 -6.084 -3.077 607 HG22 VAL 77 HG22 VAL 77 3.147 -4.460 -3.546 608 HG23 VAL 77 HG23 VAL 77 2.303 -5.300 -2.244 609 H TYR 78 HN TYR 78 -0.322 -4.219 -6.118 610 HA TYR 78 HA TYR 78 -2.135 -6.414 -6.832 611 HB2 TYR 78 HB2 TYR 78 -2.446 -3.460 -7.297 612 HB3 TYR 78 HB3 TYR 78 -3.559 -4.672 -7.876 613 HD1 TYR 78 HD1 TYR 78 -2.288 -2.909 -4.932 614 HD2 TYR 78 HD2 TYR 78 -5.109 -5.764 -6.337 615 HE1 TYR 78 HE1 TYR 78 -3.492 -2.769 -2.793 616 HE2 TYR 78 HE2 TYR 78 -6.320 -5.628 -4.205 617 HH TYR 78 HH TYR 78 -5.062 -4.360 -1.457 618 H LYS 79 HN LYS 79 -1.953 -7.321 -8.762 619 HA LYS 79 HA LYS 79 -0.205 -6.043 -10.765 620 HB2 LYS 79 HB2 LYS 79 0.830 -8.040 -9.790 621 HB3 LYS 79 HB3 LYS 79 -0.604 -8.986 -10.165 622 HG2 LYS 79 HG2 LYS 79 0.124 -9.404 -12.204 623 HG3 LYS 79 HG3 LYS 79 0.377 -7.688 -12.524 624 HD2 LYS 79 HD2 LYS 79 2.502 -8.067 -11.013 625 HD3 LYS 79 HD3 LYS 79 2.292 -9.742 -11.526 626 HE2 LYS 79 HE2 LYS 79 2.008 -8.266 -13.859 627 HE3 LYS 79 HE3 LYS 79 3.317 -7.463 -12.993 628 HZ1 LYS 79 HZ1 LYS 79 4.365 -9.100 -14.244 629 HZ2 LYS 79 HZ2 LYS 79 3.177 -10.262 -13.926 630 HZ3 LYS 79 HZ3 LYS 79 4.255 -9.800 -12.707 631 H ASN 80 HN ASN 80 -1.079 -5.635 -12.628 632 HA ASN 80 HA ASN 80 -2.580 -5.462 -14.321 633 HB2 ASN 80 HB2 ASN 80 -2.724 -8.340 -13.562 634 HB3 ASN 80 HB3 ASN 80 -3.961 -7.715 -14.646 635 HD21 ASN 80 HD21 ASN 80 -0.741 -8.777 -14.351 636 HD22 ASN 80 HD22 ASN 80 -0.248 -8.476 -15.978 637 H GLY 81 HN GLY 81 -3.379 -4.575 -11.703 638 HA2 GLY 81 HA2 GLY 81 -5.276 -3.571 -10.882 639 HA3 GLY 81 HA3 GLY 81 -6.169 -4.249 -12.228 640 H SER 82 HN SER 82 -4.340 -6.206 -9.896 641 HA SER 82 HA SER 82 -6.735 -6.780 -8.398 642 HB2 SER 82 HB2 SER 82 -6.949 -8.233 -10.432 643 HB3 SER 82 HB3 SER 82 -5.452 -9.036 -9.957 644 HG SER 82 HG SER 82 -6.557 -10.173 -8.592 645 H SER 83 HN SER 83 -6.256 -8.690 -6.809 646 HA SER 83 HA SER 83 -3.996 -7.860 -5.310 647 HB2 SER 83 HB2 SER 83 -4.742 -10.215 -4.137 648 HB3 SER 83 HB3 SER 83 -5.474 -8.651 -3.794 649 HG SER 83 HG SER 83 -7.152 -9.942 -4.316 650 H VAL 84 HN VAL 84 -1.998 -8.748 -5.068 651 HA VAL 84 HA VAL 84 -1.437 -11.174 -6.631 652 HB VAL 84 HB VAL 84 -0.655 -8.844 -7.537 653 HG11 VAL 84 HG11 VAL 84 1.558 -9.456 -5.607 654 HG12 VAL 84 HG12 VAL 84 1.621 -8.268 -6.909 655 HG13 VAL 84 HG13 VAL 84 0.483 -8.059 -5.585 656 HG21 VAL 84 HG21 VAL 84 0.772 -11.455 -7.522 657 HG22 VAL 84 HG22 VAL 84 -0.068 -10.636 -8.839 658 HG23 VAL 84 HG23 VAL 84 1.522 -10.074 -8.323 659 H ASP 85 HN ASP 85 -0.329 -9.098 -3.974 660 HA ASP 85 HA ASP 85 0.285 -11.441 -2.404 661 HB2 ASP 85 HB2 ASP 85 2.385 -9.845 -3.681 662 HB3 ASP 85 HB3 ASP 85 2.594 -10.017 -1.940 663 H THR 86 HN THR 86 0.238 -11.034 -0.181 664 HA THR 86 HA THR 86 -0.382 -8.259 0.559 665 HB THR 86 HB THR 86 -2.027 -9.096 2.149 666 HG1 THR 86 HG1 THR 86 -1.271 -11.632 1.114 667 HG21 THR 86 HG21 THR 86 -3.511 -8.875 0.492 668 HG22 THR 86 HG22 THR 86 -2.248 -9.225 -0.687 669 HG23 THR 86 HG23 THR 86 -3.200 -10.540 0.003 670 H LEU 87 HN LEU 87 0.411 -7.473 2.478 671 HA LEU 87 HA LEU 87 2.111 -9.297 4.043 672 HB2 LEU 87 HB2 LEU 87 3.828 -8.053 3.359 673 HB3 LEU 87 HB3 LEU 87 2.768 -6.888 2.609 674 HG LEU 87 HG LEU 87 2.586 -5.691 4.757 675 HD11 LEU 87 HD11 LEU 87 4.639 -6.477 6.305 676 HD12 LEU 87 HD12 LEU 87 2.962 -6.962 6.558 677 HD13 LEU 87 HD13 LEU 87 4.070 -8.036 5.704 678 HD21 LEU 87 HD21 LEU 87 4.271 -5.099 3.075 679 HD22 LEU 87 HD22 LEU 87 4.809 -4.753 4.719 680 HD23 LEU 87 HD23 LEU 87 5.419 -6.175 3.872 681 H LEU 88 HN LEU 88 1.582 -9.454 6.119 682 HA LEU 88 HA LEU 88 -0.420 -7.640 7.220 683 HB2 LEU 88 HB2 LEU 88 0.367 -10.405 7.660 684 HB3 LEU 88 HB3 LEU 88 0.191 -9.529 9.168 685 HG LEU 88 HG LEU 88 -1.957 -9.557 7.059 686 HD11 LEU 88 HD11 LEU 88 -1.430 -11.481 9.301 687 HD12 LEU 88 HD12 LEU 88 -3.047 -11.227 8.645 688 HD13 LEU 88 HD13 LEU 88 -1.758 -11.827 7.603 689 HD21 LEU 88 HD21 LEU 88 -2.442 -9.205 9.966 690 HD22 LEU 88 HD22 LEU 88 -1.721 -7.862 9.079 691 HD23 LEU 88 HD23 LEU 88 -3.286 -8.508 8.584 692 H GLY 89 HN GLY 89 -0.114 -6.279 8.926 693 HA2 GLY 89 HA2 GLY 89 1.017 -5.034 10.507 694 HA3 GLY 89 HA3 GLY 89 2.149 -6.376 10.655 695 H ALA 90 HN ALA 90 2.732 -3.454 10.536 696 HA ALA 90 HA ALA 90 4.092 -3.342 7.939 697 HB1 ALA 90 HB1 ALA 90 3.037 -1.322 9.799 698 HB2 ALA 90 HB2 ALA 90 4.525 -0.907 8.951 699 HB3 ALA 90 HB3 ALA 90 3.083 -1.338 8.036 700 H ASN 91 HN ASN 91 5.981 -4.234 7.989 701 HA ASN 91 HA ASN 91 7.888 -3.421 10.067 702 HB2 ASN 91 HB2 ASN 91 8.866 -5.830 9.044 703 HB3 ASN 91 HB3 ASN 91 8.133 -5.599 10.620 704 HD21 ASN 91 HD21 ASN 91 7.217 -7.588 10.766 705 HD22 ASN 91 HD22 ASN 91 5.903 -8.116 9.741 706 H ASP 92 HN ASP 92 9.866 -2.673 9.264 707 HA ASP 92 HA ASP 92 9.850 -1.772 6.587 708 HB2 ASP 92 HB2 ASP 92 12.242 -1.164 7.032 709 HB3 ASP 92 HB3 ASP 92 11.108 -0.563 8.239 710 H SER 93 HN SER 93 11.508 -4.454 8.190 711 HA SER 93 HA SER 93 12.991 -5.320 5.933 712 HB2 SER 93 HB2 SER 93 13.802 -5.857 8.077 713 HB3 SER 93 HB3 SER 93 12.304 -6.652 8.541 714 HG SER 93 HG SER 93 14.411 -7.579 6.997 715 H ALA 94 HN ALA 94 9.881 -6.333 7.243 716 HA ALA 94 HA ALA 94 9.642 -8.675 5.656 717 HB1 ALA 94 HB1 ALA 94 7.612 -8.964 6.636 718 HB2 ALA 94 HB2 ALA 94 8.271 -7.784 7.767 719 HB3 ALA 94 HB3 ALA 94 7.176 -7.262 6.487 720 H LEU 95 HN LEU 95 8.679 -5.358 5.295 721 HA LEU 95 HA LEU 95 7.349 -5.774 2.807 722 HB2 LEU 95 HB2 LEU 95 6.590 -3.880 3.873 723 HB3 LEU 95 HB3 LEU 95 8.188 -3.440 4.448 724 HG LEU 95 HG LEU 95 8.542 -3.159 1.791 725 HD11 LEU 95 HD11 LEU 95 6.581 -2.060 0.858 726 HD12 LEU 95 HD12 LEU 95 6.311 -3.766 1.238 727 HD13 LEU 95 HD13 LEU 95 5.669 -2.506 2.302 728 HD21 LEU 95 HD21 LEU 95 8.870 -0.996 2.272 729 HD22 LEU 95 HD22 LEU 95 7.315 -0.833 3.102 730 HD23 LEU 95 HD23 LEU 95 8.685 -1.580 3.936 731 H LYS 96 HN LYS 96 10.618 -5.073 3.893 732 HA LYS 96 HA LYS 96 11.702 -4.067 1.555 733 HB2 LYS 96 HB2 LYS 96 12.960 -4.110 3.624 734 HB3 LYS 96 HB3 LYS 96 12.901 -5.864 3.673 735 HG2 LYS 96 HG2 LYS 96 15.084 -4.917 2.974 736 HG3 LYS 96 HG3 LYS 96 14.372 -6.046 1.819 737 HD2 LYS 96 HD2 LYS 96 13.396 -3.922 0.710 738 HD3 LYS 96 HD3 LYS 96 14.628 -3.069 1.637 739 HE2 LYS 96 HE2 LYS 96 15.448 -5.460 0.107 740 HE3 LYS 96 HE3 LYS 96 15.070 -3.999 -0.800 741 HZ1 LYS 96 HZ1 LYS 96 16.683 -2.800 0.576 742 HZ2 LYS 96 HZ2 LYS 96 17.408 -4.066 -0.278 743 HZ3 LYS 96 HZ3 LYS 96 17.079 -4.239 1.372 744 H GLN 97 HN GLN 97 11.192 -7.376 2.638 745 HA GLN 97 HA GLN 97 12.247 -8.597 0.288 746 HB2 GLN 97 HB2 GLN 97 10.862 -9.497 2.749 747 HB3 GLN 97 HB3 GLN 97 10.729 -10.547 1.345 748 HG2 GLN 97 HG2 GLN 97 12.590 -11.162 2.816 749 HG3 GLN 97 HG3 GLN 97 13.125 -10.726 1.193 750 HE21 GLN 97 HE21 GLN 97 13.471 -10.157 4.498 751 HE22 GLN 97 HE22 GLN 97 14.510 -8.779 4.407 752 H LEU 98 HN LEU 98 8.942 -7.820 1.427 753 HA LEU 98 HA LEU 98 7.617 -9.116 -0.690 754 HB2 LEU 98 HB2 LEU 98 6.457 -8.680 1.334 755 HB3 LEU 98 HB3 LEU 98 6.799 -6.961 1.237 756 HG LEU 98 HG LEU 98 5.405 -7.774 -1.110 757 HD11 LEU 98 HD11 LEU 98 4.626 -9.599 0.455 758 HD12 LEU 98 HD12 LEU 98 3.846 -8.327 1.395 759 HD13 LEU 98 HD13 LEU 98 3.363 -8.610 -0.277 760 HD21 LEU 98 HD21 LEU 98 3.946 -5.988 -0.534 761 HD22 LEU 98 HD22 LEU 98 4.439 -6.055 1.158 762 HD23 LEU 98 HD23 LEU 98 5.578 -5.507 -0.072 763 H ILE 99 HN ILE 99 8.439 -5.702 -0.189 764 HA ILE 99 HA ILE 99 7.282 -4.819 -2.599 765 HB ILE 99 HB ILE 99 7.927 -3.577 -0.363 766 HG12 ILE 99 HG12 ILE 99 6.573 -2.753 -2.257 767 HG13 ILE 99 HG13 ILE 99 7.557 -1.501 -1.502 768 HG21 ILE 99 HG21 ILE 99 9.815 -1.981 -0.838 769 HG22 ILE 99 HG22 ILE 99 10.276 -3.621 -0.385 770 HG23 ILE 99 HG23 ILE 99 10.350 -3.118 -2.076 771 HD11 ILE 99 HD11 ILE 99 7.414 -2.026 -4.174 772 HD12 ILE 99 HD12 ILE 99 8.711 -1.145 -3.374 773 HD13 ILE 99 HD13 ILE 99 8.888 -2.859 -3.688 774 H GLU 100 HN GLU 100 10.478 -5.904 -1.713 775 HA GLU 100 HA GLU 100 11.796 -5.081 -4.058 776 HB2 GLU 100 HB2 GLU 100 12.354 -6.828 -1.771 777 HB3 GLU 100 HB3 GLU 100 13.240 -7.221 -3.239 778 HG2 GLU 100 HG2 GLU 100 13.562 -4.544 -3.159 779 HG3 GLU 100 HG3 GLU 100 13.488 -4.924 -1.444 780 H LYS 101 HN LYS 101 9.967 -7.954 -3.296 781 HA LYS 101 HA LYS 101 10.920 -9.592 -5.359 782 HB2 LYS 101 HB2 LYS 101 8.889 -9.633 -3.336 783 HB3 LYS 101 HB3 LYS 101 8.267 -10.301 -4.832 784 HG2 LYS 101 HG2 LYS 101 10.178 -11.858 -4.908 785 HG3 LYS 101 HG3 LYS 101 10.726 -11.220 -3.356 786 HD2 LYS 101 HD2 LYS 101 7.935 -11.991 -3.269 787 HD3 LYS 101 HD3 LYS 101 8.964 -13.335 -3.765 788 HE2 LYS 101 HE2 LYS 101 10.244 -13.218 -1.792 789 HE3 LYS 101 HE3 LYS 101 9.604 -11.628 -1.378 790 HZ1 LYS 101 HZ1 LYS 101 8.713 -13.746 -0.197 791 HZ2 LYS 101 HZ2 LYS 101 7.759 -13.904 -1.584 792 HZ3 LYS 101 HZ3 LYS 101 7.641 -12.511 -0.633 793 H TYR 102 HN TYR 102 8.051 -7.520 -5.223 794 HA TYR 102 HA TYR 102 7.513 -8.173 -8.010 795 HB2 TYR 102 HB2 TYR 102 5.696 -6.336 -6.586 796 HB3 TYR 102 HB3 TYR 102 5.325 -7.707 -7.624 797 HD1 TYR 102 HD2 TYR 102 6.723 -9.880 -6.275 798 HD2 TYR 102 HD1 TYR 102 4.478 -6.667 -4.652 799 HE1 TYR 102 HE2 TYR 102 6.228 -11.243 -4.310 800 HE2 TYR 102 HE1 TYR 102 3.955 -8.031 -2.664 801 HH TYR 102 HH TYR 102 5.080 -10.011 -1.460 802 H ALA 103 HN ALA 103 8.533 -5.608 -5.935 803 HA ALA 103 HA ALA 103 8.360 -3.676 -8.116 804 HB1 ALA 103 HB1 ALA 103 8.199 -2.085 -6.551 805 HB2 ALA 103 HB2 ALA 103 7.801 -3.434 -5.486 806 HB3 ALA 103 HB3 ALA 103 9.450 -2.808 -5.542 807 H ALA 104 HN ALA 104 10.726 -5.292 -6.032 808 HA ALA 104 HA ALA 104 12.819 -3.981 -7.597 809 HB1 ALA 104 HB1 ALA 104 13.349 -5.612 -5.147 810 HB2 ALA 104 HB2 ALA 104 14.364 -4.379 -5.892 811 HB3 ALA 104 HB3 ALA 104 12.881 -3.912 -5.063 Start of MODEL 8 1 HA SER 1 HA SER 1 7.415 10.446 -1.906 2 HB2 SER 1 HB2 SER 1 6.595 11.696 -4.516 3 HB3 SER 1 HB3 SER 1 5.675 12.021 -3.047 4 HG SER 1 HG SER 1 7.822 12.583 -2.127 5 H VAL 2 HN VAL 2 6.110 9.034 -0.921 6 HA VAL 2 HA VAL 2 4.355 7.282 -2.289 7 HB VAL 2 HB VAL 2 3.952 7.945 0.624 8 HG11 VAL 2 HG11 VAL 2 2.738 6.162 -0.967 9 HG12 VAL 2 HG12 VAL 2 4.114 5.190 -0.446 10 HG13 VAL 2 HG13 VAL 2 3.018 5.878 0.751 11 HG21 VAL 2 HG21 VAL 2 5.771 5.995 0.806 12 HG22 VAL 2 HG22 VAL 2 6.382 6.815 -0.630 13 HG23 VAL 2 HG23 VAL 2 6.191 7.706 0.880 14 H LYS 3 HN LYS 3 2.249 7.449 -2.806 15 HA LYS 3 HA LYS 3 1.025 10.094 -2.631 16 HB2 LYS 3 HB2 LYS 3 1.208 8.117 -4.622 17 HB3 LYS 3 HB3 LYS 3 -0.492 8.208 -4.172 18 HG2 LYS 3 HG2 LYS 3 0.013 10.791 -4.329 19 HG3 LYS 3 HG3 LYS 3 1.246 10.213 -5.435 20 HD2 LYS 3 HD2 LYS 3 -0.259 9.650 -7.017 21 HD3 LYS 3 HD3 LYS 3 -1.400 9.013 -5.830 22 HE2 LYS 3 HE2 LYS 3 -0.934 11.946 -6.345 23 HE3 LYS 3 HE3 LYS 3 -2.234 11.003 -7.072 24 HZ1 LYS 3 HZ1 LYS 3 -3.379 11.670 -5.286 25 HZ2 LYS 3 HZ2 LYS 3 -1.996 12.054 -4.393 26 HZ3 LYS 3 HZ3 LYS 3 -2.540 10.454 -4.462 27 H ILE 4 HN ILE 4 -0.900 10.539 -1.758 28 HA ILE 4 HA ILE 4 -2.267 8.375 -0.282 29 HB ILE 4 HB ILE 4 -2.243 11.333 0.369 30 HG12 ILE 4 HG12 ILE 4 -0.942 9.005 1.798 31 HG13 ILE 4 HG13 ILE 4 -0.094 10.223 0.850 32 HG21 ILE 4 HG21 ILE 4 -3.888 10.993 1.842 33 HG22 ILE 4 HG22 ILE 4 -4.185 9.481 0.984 34 HG23 ILE 4 HG23 ILE 4 -3.171 9.491 2.425 35 HD11 ILE 4 HD11 ILE 4 0.207 11.210 2.830 36 HD12 ILE 4 HD12 ILE 4 -1.452 11.769 2.616 37 HD13 ILE 4 HD13 ILE 4 -1.123 10.331 3.584 38 H VAL 5 HN VAL 5 -4.229 7.845 -1.081 39 HA VAL 5 HA VAL 5 -5.572 9.844 -2.782 40 HB VAL 5 HB VAL 5 -4.945 7.890 -4.011 41 HG11 VAL 5 HG11 VAL 5 -6.303 6.375 -1.800 42 HG12 VAL 5 HG12 VAL 5 -5.940 5.655 -3.368 43 HG13 VAL 5 HG13 VAL 5 -4.632 6.256 -2.350 44 HG21 VAL 5 HG21 VAL 5 -7.784 7.193 -3.688 45 HG22 VAL 5 HG22 VAL 5 -7.445 8.894 -4.021 46 HG23 VAL 5 HG23 VAL 5 -6.873 7.647 -5.129 47 H THR 6 HN THR 6 -7.514 10.616 -2.212 48 HA THR 6 HA THR 6 -8.741 9.539 0.222 49 HB THR 6 HB THR 6 -9.727 11.663 0.594 50 HG1 THR 6 HG1 THR 6 -10.401 12.536 -1.244 51 HG21 THR 6 HG21 THR 6 -7.818 13.091 0.781 52 HG22 THR 6 HG22 THR 6 -7.266 11.435 1.031 53 HG23 THR 6 HG23 THR 6 -6.981 12.236 -0.514 54 H SER 7 HN SER 7 -9.254 8.830 -2.847 55 HA SER 7 HA SER 7 -12.187 8.896 -2.519 56 HB2 SER 7 HB2 SER 7 -10.994 10.286 -4.454 57 HB3 SER 7 HB3 SER 7 -11.038 8.719 -5.263 58 HG SER 7 HG SER 7 -13.142 10.381 -4.470 59 H GLN 8 HN GLN 8 -13.369 7.100 -3.328 60 HA GLN 8 HA GLN 8 -12.041 4.610 -2.917 61 HB2 GLN 8 HB2 GLN 8 -14.220 4.479 -2.208 62 HB3 GLN 8 HB3 GLN 8 -14.821 5.502 -3.501 63 HG2 GLN 8 HG2 GLN 8 -15.722 3.378 -3.873 64 HG3 GLN 8 HG3 GLN 8 -14.437 3.562 -5.061 65 HE21 GLN 8 HE21 GLN 8 -12.200 2.902 -3.804 66 HE22 GLN 8 HE22 GLN 8 -12.262 1.317 -3.192 67 H SER 9 HN SER 9 -13.540 6.091 -5.769 68 HA SER 9 HA SER 9 -12.785 4.043 -7.570 69 HB2 SER 9 HB2 SER 9 -13.084 6.245 -9.171 70 HB3 SER 9 HB3 SER 9 -14.414 5.226 -8.620 71 HG SER 9 HG SER 9 -15.121 7.017 -7.777 72 H GLU 10 HN GLU 10 -11.323 7.119 -6.616 73 HA GLU 10 HA GLU 10 -9.234 7.142 -8.491 74 HB2 GLU 10 HB2 GLU 10 -9.933 9.003 -6.873 75 HB3 GLU 10 HB3 GLU 10 -8.981 8.157 -5.662 76 HG2 GLU 10 HG2 GLU 10 -7.274 9.391 -6.362 77 HG3 GLU 10 HG3 GLU 10 -7.244 8.340 -7.777 78 H PHE 11 HN PHE 11 -9.676 5.497 -5.438 79 HA PHE 11 HA PHE 11 -7.014 4.558 -5.113 80 HB2 PHE 11 HB2 PHE 11 -8.342 4.436 -3.169 81 HB3 PHE 11 HB3 PHE 11 -9.711 3.772 -4.037 82 HD1 PHE 11 HD2 PHE 11 -6.171 2.848 -3.298 83 HD2 PHE 11 HD1 PHE 11 -10.213 1.600 -3.644 84 HE1 PHE 11 HE2 PHE 11 -5.532 0.584 -2.586 85 HE2 PHE 11 HE1 PHE 11 -9.591 -0.661 -2.938 86 HZ PHE 11 HZ PHE 11 -7.255 -1.176 -2.399 87 H ASP 12 HN ASP 12 -9.966 3.093 -6.385 88 HA ASP 12 HA ASP 12 -8.763 0.673 -7.241 89 HB2 ASP 12 HB2 ASP 12 -11.318 2.084 -7.969 90 HB3 ASP 12 HB3 ASP 12 -10.862 0.565 -8.720 91 H SER 13 HN SER 13 -9.118 3.831 -8.637 92 HA SER 13 HA SER 13 -8.625 3.171 -11.330 93 HB2 SER 13 HB2 SER 13 -9.545 5.361 -10.471 94 HB3 SER 13 HB3 SER 13 -7.910 5.772 -9.965 95 HG SER 13 HG SER 13 -8.735 6.444 -12.169 96 H ILE 14 HN ILE 14 -6.508 4.179 -8.676 97 HA ILE 14 HA ILE 14 -4.112 4.270 -10.146 98 HB ILE 14 HB ILE 14 -4.588 3.559 -7.246 99 HG12 ILE 14 HG12 ILE 14 -5.181 5.746 -7.190 100 HG13 ILE 14 HG13 ILE 14 -3.445 6.023 -7.221 101 HG21 ILE 14 HG21 ILE 14 -2.423 2.722 -8.024 102 HG22 ILE 14 HG22 ILE 14 -2.000 4.340 -8.584 103 HG23 ILE 14 HG23 ILE 14 -2.235 4.036 -6.862 104 HD11 ILE 14 HD11 ILE 14 -4.611 7.461 -8.793 105 HD12 ILE 14 HD12 ILE 14 -3.536 6.343 -9.634 106 HD13 ILE 14 HD13 ILE 14 -5.274 6.045 -9.610 107 H ILE 15 HN ILE 15 -5.816 1.673 -8.588 108 HA ILE 15 HA ILE 15 -3.846 -0.323 -8.705 109 HB ILE 15 HB ILE 15 -6.805 -0.872 -8.905 110 HG12 ILE 15 HG12 ILE 15 -6.477 0.781 -7.148 111 HG13 ILE 15 HG13 ILE 15 -6.804 -0.781 -6.454 112 HG21 ILE 15 HG21 ILE 15 -4.585 -2.530 -8.719 113 HG22 ILE 15 HG22 ILE 15 -5.225 -2.463 -7.071 114 HG23 ILE 15 HG23 ILE 15 -6.262 -2.976 -8.411 115 HD11 ILE 15 HD11 ILE 15 -4.257 0.732 -6.514 116 HD12 ILE 15 HD12 ILE 15 -5.078 -0.032 -5.150 117 HD13 ILE 15 HD13 ILE 15 -4.251 -1.028 -6.353 118 H SER 16 HN SER 16 -6.369 0.574 -11.024 119 HA SER 16 HA SER 16 -5.682 -1.560 -12.853 120 HB2 SER 16 HB2 SER 16 -7.914 0.230 -12.450 121 HB3 SER 16 HB3 SER 16 -7.465 0.146 -14.153 122 HG SER 16 HG SER 16 -8.785 -1.651 -12.701 123 H GLN 17 HN GLN 17 -4.893 1.818 -12.616 124 HA GLN 17 HA GLN 17 -4.194 2.069 -15.410 125 HB2 GLN 17 HB2 GLN 17 -4.255 3.892 -13.075 126 HB3 GLN 17 HB3 GLN 17 -3.172 4.309 -14.391 127 HG2 GLN 17 HG2 GLN 17 -4.856 5.139 -15.547 128 HG3 GLN 17 HG3 GLN 17 -5.680 3.582 -15.498 129 HE21 GLN 17 HE21 GLN 17 -7.713 3.987 -15.002 130 HE22 GLN 17 HE22 GLN 17 -8.258 4.966 -13.689 131 H ASN 18 HN ASN 18 -2.663 0.300 -13.354 132 HA ASN 18 HA ASN 18 -0.066 0.842 -14.502 133 HB2 ASN 18 HB2 ASN 18 -0.356 0.669 -11.503 134 HB3 ASN 18 HB3 ASN 18 1.104 1.025 -12.414 135 HD21 ASN 18 HD21 ASN 18 -2.079 2.236 -11.566 136 HD22 ASN 18 HD22 ASN 18 -1.699 3.909 -11.767 137 H GLU 19 HN GLU 19 1.379 -0.928 -14.376 138 HA GLU 19 HA GLU 19 0.107 -3.468 -14.408 139 HB2 GLU 19 HB2 GLU 19 2.549 -2.401 -15.296 140 HB3 GLU 19 HB3 GLU 19 2.978 -3.663 -14.150 141 HG2 GLU 19 HG2 GLU 19 2.216 -5.322 -15.477 142 HG3 GLU 19 HG3 GLU 19 0.909 -4.342 -16.140 143 H LEU 20 HN LEU 20 2.360 -1.924 -12.100 144 HA LEU 20 HA LEU 20 1.458 -3.931 -10.157 145 HB2 LEU 20 HB2 LEU 20 3.956 -3.833 -11.201 146 HB3 LEU 20 HB3 LEU 20 4.141 -2.759 -9.834 147 HG LEU 20 HG LEU 20 4.010 -4.429 -8.310 148 HD11 LEU 20 HD11 LEU 20 1.850 -5.298 -8.632 149 HD12 LEU 20 HD12 LEU 20 2.244 -5.900 -10.244 150 HD13 LEU 20 HD13 LEU 20 2.930 -6.677 -8.819 151 HD21 LEU 20 HD21 LEU 20 4.743 -6.382 -10.404 152 HD22 LEU 20 HD22 LEU 20 5.679 -4.890 -10.361 153 HD23 LEU 20 HD23 LEU 20 5.599 -5.922 -8.938 154 H VAL 21 HN VAL 21 0.651 -3.092 -8.310 155 HA VAL 21 HA VAL 21 1.447 -0.348 -7.639 156 HB VAL 21 HB VAL 21 -1.447 -1.171 -7.445 157 HG11 VAL 21 HG11 VAL 21 -1.869 0.951 -6.760 158 HG12 VAL 21 HG12 VAL 21 -0.216 0.803 -6.161 159 HG13 VAL 21 HG13 VAL 21 -0.532 1.637 -7.683 160 HG21 VAL 21 HG21 VAL 21 -0.464 -1.115 -9.834 161 HG22 VAL 21 HG22 VAL 21 -1.940 -0.209 -9.502 162 HG23 VAL 21 HG23 VAL 21 -0.392 0.630 -9.591 163 H ILE 22 HN ILE 22 1.992 -0.047 -5.633 164 HA ILE 22 HA ILE 22 1.086 -2.085 -3.683 165 HB ILE 22 HB ILE 22 3.462 -2.218 -3.890 166 HG12 ILE 22 HG12 ILE 22 3.794 -0.810 -1.446 167 HG13 ILE 22 HG13 ILE 22 2.158 -1.459 -1.459 168 HG21 ILE 22 HG21 ILE 22 3.674 0.135 -4.821 169 HG22 ILE 22 HG22 ILE 22 3.743 0.672 -3.144 170 HG23 ILE 22 HG23 ILE 22 4.971 -0.428 -3.770 171 HD11 ILE 22 HD11 ILE 22 4.062 -2.875 -0.474 172 HD12 ILE 22 HD12 ILE 22 2.891 -3.648 -1.542 173 HD13 ILE 22 HD13 ILE 22 4.482 -3.198 -2.157 174 H VAL 23 HN VAL 23 -0.154 -1.449 -2.165 175 HA VAL 23 HA VAL 23 -0.297 1.393 -1.444 176 HB VAL 23 HB VAL 23 -2.637 -0.512 -1.544 177 HG11 VAL 23 HG11 VAL 23 -3.446 2.195 -1.499 178 HG12 VAL 23 HG12 VAL 23 -3.682 0.964 -0.259 179 HG13 VAL 23 HG13 VAL 23 -2.247 1.988 -0.224 180 HG21 VAL 23 HG21 VAL 23 -3.234 1.426 -3.305 181 HG22 VAL 23 HG22 VAL 23 -1.496 1.281 -3.549 182 HG23 VAL 23 HG23 VAL 23 -2.533 -0.132 -3.737 183 H ASP 24 HN ASP 24 -0.439 1.864 0.637 184 HA ASP 24 HA ASP 24 -0.324 -0.396 2.502 185 HB2 ASP 24 HB2 ASP 24 0.481 1.307 4.144 186 HB3 ASP 24 HB3 ASP 24 1.541 1.135 2.752 187 H PHE 25 HN PHE 25 -2.368 -0.917 3.063 188 HA PHE 25 HA PHE 25 -4.388 1.168 3.437 189 HB2 PHE 25 HB2 PHE 25 -4.507 -1.825 4.012 190 HB3 PHE 25 HB3 PHE 25 -5.878 -0.719 3.943 191 HD1 PHE 25 HD1 PHE 25 -3.178 -2.223 1.878 192 HD2 PHE 25 HD2 PHE 25 -6.966 -0.284 1.916 193 HE1 PHE 25 HE1 PHE 25 -3.408 -2.641 -0.535 194 HE2 PHE 25 HE2 PHE 25 -7.209 -0.709 -0.490 195 HZ PHE 25 HZ PHE 25 -5.422 -1.885 -1.744 196 H PHE 26 HN PHE 26 -4.097 2.327 5.154 197 HA PHE 26 HA PHE 26 -3.237 0.892 7.505 198 HB2 PHE 26 HB2 PHE 26 -1.567 2.706 8.025 199 HB3 PHE 26 HB3 PHE 26 -1.323 2.110 6.385 200 HD1 PHE 26 HD2 PHE 26 -2.859 3.456 4.593 201 HD2 PHE 26 HD1 PHE 26 -1.394 5.016 8.283 202 HE1 PHE 26 HE2 PHE 26 -3.130 5.737 3.721 203 HE2 PHE 26 HE1 PHE 26 -1.652 7.297 7.409 204 HZ PHE 26 HZ PHE 26 -2.511 7.667 5.136 205 H ALA 27 HN ALA 27 -3.387 3.257 9.719 206 HA ALA 27 HA ALA 27 -5.657 4.883 9.008 207 HB1 ALA 27 HB1 ALA 27 -5.726 2.830 11.278 208 HB2 ALA 27 HB2 ALA 27 -6.914 4.144 11.107 209 HB3 ALA 27 HB3 ALA 27 -6.779 2.880 9.878 210 H GLU 28 HN GLU 28 -5.479 6.828 9.912 211 HA GLU 28 HA GLU 28 -3.093 8.123 10.513 212 HB2 GLU 28 HB2 GLU 28 -5.400 8.936 10.031 213 HB3 GLU 28 HB3 GLU 28 -5.704 8.945 11.767 214 HG2 GLU 28 HG2 GLU 28 -3.323 10.158 11.683 215 HG3 GLU 28 HG3 GLU 28 -3.983 10.662 10.130 216 H TRP 29 HN TRP 29 -4.292 5.993 13.653 217 HA TRP 29 HA TRP 29 -3.257 8.394 15.666 218 HB2 TRP 29 HB2 TRP 29 -5.056 6.941 17.074 219 HB3 TRP 29 HB3 TRP 29 -5.683 8.043 15.881 220 HD1 TRP 29 HD1 TRP 29 -8.001 6.829 14.164 221 HE1 TRP 29 HE1 TRP 29 -8.654 4.389 13.936 222 HE3 TRP 29 HE3 TRP 29 -4.631 4.448 17.547 223 HZ2 TRP 29 HZ2 TRP 29 -8.068 1.898 14.977 224 HZ3 TRP 29 HZ3 TRP 29 -4.895 2.030 17.822 225 HH2 TRP 29 HH2 TRP 29 -6.603 0.791 16.601 226 H CYS 30 HN CYS 30 -2.044 5.157 13.984 227 HA CYS 30 HA CYS 30 -1.126 4.244 16.613 228 HB2 CYS 30 HB2 CYS 30 -0.337 2.288 15.089 229 HB3 CYS 30 HB3 CYS 30 -2.051 2.455 15.451 230 H GLY 31 HN GLY 31 1.084 3.554 16.855 231 HA2 GLY 31 HA2 GLY 31 2.965 5.487 15.949 232 HA3 GLY 31 HA3 GLY 31 3.330 4.040 16.872 233 HA PRO 32 HA PRO 32 4.780 1.673 13.390 234 HB2 PRO 32 HB2 PRO 32 2.796 -0.016 12.517 235 HB3 PRO 32 HB3 PRO 32 3.855 -0.323 13.894 236 HG2 PRO 32 HG2 PRO 32 1.076 0.815 13.844 237 HG3 PRO 32 HG3 PRO 32 1.745 -0.405 14.936 238 HD2 PRO 32 HD2 PRO 32 1.476 2.097 15.740 239 HD3 PRO 32 HD3 PRO 32 2.932 1.183 16.174 240 H CYS 33 HN CYS 33 1.354 2.463 12.582 241 HA CYS 33 HA CYS 33 1.606 2.384 9.840 242 HB2 CYS 33 HB2 CYS 33 -0.110 4.386 9.941 243 HB3 CYS 33 HB3 CYS 33 -0.568 2.779 10.482 244 H LYS 34 HN LYS 34 2.177 5.249 11.887 245 HA LYS 34 HA LYS 34 3.170 6.871 9.771 246 HB2 LYS 34 HB2 LYS 34 3.291 7.050 12.769 247 HB3 LYS 34 HB3 LYS 34 4.145 8.206 11.757 248 HG2 LYS 34 HG2 LYS 34 2.274 9.308 11.230 249 HG3 LYS 34 HG3 LYS 34 1.347 7.823 11.008 250 HD2 LYS 34 HD2 LYS 34 0.436 8.003 13.036 251 HD3 LYS 34 HD3 LYS 34 2.015 8.227 13.790 252 HE2 LYS 34 HE2 LYS 34 0.996 10.541 12.286 253 HE3 LYS 34 HE3 LYS 34 0.070 10.110 13.723 254 HZ1 LYS 34 HZ1 LYS 34 2.926 10.865 13.552 255 HZ2 LYS 34 HZ2 LYS 34 2.282 10.098 14.914 256 HZ3 LYS 34 HZ3 LYS 34 1.696 11.612 14.442 257 H ARG 35 HN ARG 35 4.643 4.680 12.043 258 HA ARG 35 HA ARG 35 7.341 5.436 11.659 259 HB2 ARG 35 HB2 ARG 35 6.519 4.250 13.651 260 HB3 ARG 35 HB3 ARG 35 6.222 2.822 12.671 261 HG2 ARG 35 HG2 ARG 35 8.943 3.805 12.408 262 HG3 ARG 35 HG3 ARG 35 8.522 3.389 14.070 263 HD2 ARG 35 HD2 ARG 35 7.950 1.170 13.465 264 HD3 ARG 35 HD3 ARG 35 7.988 1.556 11.745 265 HE ARG 35 HE ARG 35 10.264 1.281 11.763 266 HH11 ARG 35 HH11 ARG 35 9.114 1.483 15.052 267 HH12 ARG 35 HH12 ARG 35 10.636 1.031 15.744 268 HH21 ARG 35 HH21 ARG 35 12.266 0.687 12.671 269 HH22 ARG 35 HH22 ARG 35 12.426 0.580 14.393 270 H ILE 36 HN ILE 36 5.265 3.281 9.903 271 HA ILE 36 HA ILE 36 7.430 1.912 8.621 272 HB ILE 36 HB ILE 36 5.364 0.724 9.074 273 HG12 ILE 36 HG12 ILE 36 5.170 -0.423 6.992 274 HG13 ILE 36 HG13 ILE 36 5.629 1.010 6.081 275 HG21 ILE 36 HG21 ILE 36 4.143 2.817 7.326 276 HG22 ILE 36 HG22 ILE 36 3.392 1.233 7.534 277 HG23 ILE 36 HG23 ILE 36 3.653 2.275 8.932 278 HD11 ILE 36 HD11 ILE 36 7.880 0.816 6.737 279 HD12 ILE 36 HD12 ILE 36 7.491 -0.372 7.982 280 HD13 ILE 36 HD13 ILE 36 7.356 -0.804 6.277 281 H ALA 37 HN ALA 37 5.709 4.812 8.145 282 HA ALA 37 HA ALA 37 5.739 5.037 5.343 283 HB1 ALA 37 HB1 ALA 37 4.631 6.493 7.254 284 HB2 ALA 37 HB2 ALA 37 6.073 7.476 6.999 285 HB3 ALA 37 HB3 ALA 37 4.975 7.155 5.656 286 HA PRO 38 HA PRO 38 9.959 7.544 6.123 287 HB2 PRO 38 HB2 PRO 38 11.455 6.130 8.021 288 HB3 PRO 38 HB3 PRO 38 10.688 7.702 8.259 289 HG2 PRO 38 HG2 PRO 38 9.742 4.991 9.037 290 HG3 PRO 38 HG3 PRO 38 9.548 6.536 9.884 291 HD2 PRO 38 HD2 PRO 38 7.520 5.423 8.547 292 HD3 PRO 38 HD3 PRO 38 7.754 7.180 8.552 293 H PHE 39 HN PHE 39 9.820 4.028 6.765 294 HA PHE 39 HA PHE 39 12.092 3.526 5.067 295 HB2 PHE 39 HB2 PHE 39 11.595 1.976 6.886 296 HB3 PHE 39 HB3 PHE 39 10.035 1.591 6.155 297 HD1 PHE 39 HD2 PHE 39 13.686 1.281 5.769 298 HD2 PHE 39 HD1 PHE 39 9.872 0.083 4.301 299 HE1 PHE 39 HE2 PHE 39 14.758 -0.443 4.381 300 HE2 PHE 39 HE1 PHE 39 10.939 -1.632 2.913 301 HZ PHE 39 HZ PHE 39 13.379 -1.892 2.944 302 H TYR 40 HN TYR 40 8.627 3.508 4.846 303 HA TYR 40 HA TYR 40 8.323 2.224 2.392 304 HB2 TYR 40 HB2 TYR 40 6.613 3.255 4.208 305 HB3 TYR 40 HB3 TYR 40 6.530 4.517 2.967 306 HD1 TYR 40 HD1 TYR 40 7.176 1.187 1.696 307 HD2 TYR 40 HD2 TYR 40 4.092 3.868 2.886 308 HE1 TYR 40 HE1 TYR 40 5.537 -0.163 0.469 309 HE2 TYR 40 HE2 TYR 40 2.448 2.517 1.661 310 HH TYR 40 HH TYR 40 2.490 -0.216 0.918 311 H GLU 41 HN GLU 41 9.167 5.516 3.238 312 HA GLU 41 HA GLU 41 8.954 6.560 0.584 313 HB2 GLU 41 HB2 GLU 41 9.730 8.562 1.426 314 HB3 GLU 41 HB3 GLU 41 9.044 7.826 2.863 315 HG2 GLU 41 HG2 GLU 41 10.997 7.833 3.914 316 HG3 GLU 41 HG3 GLU 41 11.845 7.154 2.528 317 H GLU 42 HN GLU 42 11.477 4.883 2.320 318 HA GLU 42 HA GLU 42 13.615 5.556 0.577 319 HB2 GLU 42 HB2 GLU 42 13.309 3.118 2.339 320 HB3 GLU 42 HB3 GLU 42 14.811 3.706 1.639 321 HG2 GLU 42 HG2 GLU 42 14.166 5.903 2.931 322 HG3 GLU 42 HG3 GLU 42 13.226 4.778 3.911 323 H CYS 43 HN CYS 43 11.463 2.759 0.755 324 HA CYS 43 HA CYS 43 12.572 1.313 -1.378 325 HB2 CYS 43 HB2 CYS 43 9.793 0.750 -1.304 326 HB3 CYS 43 HB3 CYS 43 11.097 -0.203 -0.641 327 HG CYS 43 HG CYS 43 9.877 2.305 1.242 328 H SER 44 HN SER 44 10.214 3.887 -1.283 329 HA SER 44 HA SER 44 9.153 3.635 -3.847 330 HB2 SER 44 HB2 SER 44 8.288 5.821 -3.566 331 HB3 SER 44 HB3 SER 44 8.332 5.102 -1.952 332 HG SER 44 HG SER 44 10.215 6.270 -1.534 333 H LYS 45 HN LYS 45 12.264 4.968 -2.902 334 HA LYS 45 HA LYS 45 12.531 6.291 -5.475 335 HB2 LYS 45 HB2 LYS 45 14.974 6.666 -4.489 336 HB3 LYS 45 HB3 LYS 45 13.603 7.671 -4.059 337 HG2 LYS 45 HG2 LYS 45 13.346 6.568 -1.968 338 HG3 LYS 45 HG3 LYS 45 14.512 5.324 -2.419 339 HD2 LYS 45 HD2 LYS 45 16.213 7.181 -2.628 340 HD3 LYS 45 HD3 LYS 45 15.027 8.228 -1.847 341 HE2 LYS 45 HE2 LYS 45 15.468 7.380 0.171 342 HE3 LYS 45 HE3 LYS 45 15.392 5.723 -0.425 343 HZ1 LYS 45 HZ1 LYS 45 17.723 6.563 -1.446 344 HZ2 LYS 45 HZ2 LYS 45 17.572 5.737 0.022 345 HZ3 LYS 45 HZ3 LYS 45 17.688 7.424 0.011 346 H THR 46 HN THR 46 13.544 3.263 -4.099 347 HA THR 46 HA THR 46 15.404 2.808 -6.332 348 HB THR 46 HB THR 46 14.991 1.489 -3.665 349 HG1 THR 46 HG1 THR 46 16.595 3.003 -3.685 350 HG21 THR 46 HG21 THR 46 16.409 0.231 -6.018 351 HG22 THR 46 HG22 THR 46 16.548 -0.317 -4.346 352 HG23 THR 46 HG23 THR 46 14.995 -0.400 -5.175 353 H TYR 47 HN TYR 47 12.462 1.756 -4.891 354 HA TYR 47 HA TYR 47 11.979 -0.377 -6.773 355 HB2 TYR 47 HB2 TYR 47 10.239 0.606 -4.511 356 HB3 TYR 47 HB3 TYR 47 10.029 -0.880 -5.424 357 HD1 TYR 47 HD2 TYR 47 13.221 -1.254 -5.468 358 HD2 TYR 47 HD1 TYR 47 10.292 -0.743 -2.442 359 HE1 TYR 47 HE2 TYR 47 14.679 -2.425 -3.869 360 HE2 TYR 47 HE1 TYR 47 11.730 -1.901 -0.815 361 HH TYR 47 HH TYR 47 14.235 -2.335 -0.573 362 H THR 48 HN THR 48 11.960 2.634 -7.426 363 HA THR 48 HA THR 48 9.445 3.596 -7.912 364 HB THR 48 HB THR 48 10.412 5.039 -9.617 365 HG1 THR 48 HG1 THR 48 11.817 3.864 -10.778 366 HG21 THR 48 HG21 THR 48 10.889 5.900 -7.522 367 HG22 THR 48 HG22 THR 48 11.928 4.544 -7.086 368 HG23 THR 48 HG23 THR 48 12.499 5.761 -8.227 369 H LYS 49 HN LYS 49 10.427 0.725 -9.248 370 HA LYS 49 HA LYS 49 9.171 1.091 -11.837 371 HB2 LYS 49 HB2 LYS 49 9.428 -1.500 -11.839 372 HB3 LYS 49 HB3 LYS 49 10.861 -0.503 -12.007 373 HG2 LYS 49 HG2 LYS 49 10.140 -1.240 -9.250 374 HG3 LYS 49 HG3 LYS 49 10.640 -2.569 -10.298 375 HD2 LYS 49 HD2 LYS 49 12.326 -0.175 -10.483 376 HD3 LYS 49 HD3 LYS 49 12.341 -0.960 -8.902 377 HE2 LYS 49 HE2 LYS 49 14.059 -2.035 -10.032 378 HE3 LYS 49 HE3 LYS 49 12.700 -3.138 -10.239 379 HZ1 LYS 49 HZ1 LYS 49 13.067 -3.006 -12.407 380 HZ2 LYS 49 HZ2 LYS 49 14.215 -1.780 -12.214 381 HZ3 LYS 49 HZ3 LYS 49 12.578 -1.387 -12.366 382 H MET 50 HN MET 50 8.204 0.789 -8.734 383 HA MET 50 HA MET 50 5.569 -0.459 -9.325 384 HB2 MET 50 HB2 MET 50 7.164 -1.621 -7.690 385 HB3 MET 50 HB3 MET 50 6.999 -0.216 -6.656 386 HG2 MET 50 HG2 MET 50 4.972 -0.821 -5.934 387 HG3 MET 50 HG3 MET 50 4.481 -1.452 -7.498 388 HE1 MET 50 HE1 MET 50 7.197 -3.575 -7.814 389 HE2 MET 50 HE2 MET 50 5.604 -3.443 -8.527 390 HE3 MET 50 HE3 MET 50 6.056 -4.894 -7.639 391 H VAL 51 HN VAL 51 3.772 0.706 -8.603 392 HA VAL 51 HA VAL 51 4.356 3.503 -7.937 393 HB VAL 51 HB VAL 51 1.581 3.322 -8.097 394 HG11 VAL 51 HG11 VAL 51 3.339 5.008 -8.954 395 HG12 VAL 51 HG12 VAL 51 3.251 4.076 -10.448 396 HG13 VAL 51 HG13 VAL 51 1.801 4.847 -9.803 397 HG21 VAL 51 HG21 VAL 51 1.419 2.375 -10.484 398 HG22 VAL 51 HG22 VAL 51 2.877 1.483 -10.059 399 HG23 VAL 51 HG23 VAL 51 1.405 1.272 -9.117 400 H PHE 52 HN PHE 52 4.210 4.259 -6.003 401 HA PHE 52 HA PHE 52 2.926 2.625 -3.946 402 HB2 PHE 52 HB2 PHE 52 4.978 4.833 -3.776 403 HB3 PHE 52 HB3 PHE 52 4.208 4.145 -2.360 404 HD1 PHE 52 HD2 PHE 52 5.887 2.926 -5.424 405 HD2 PHE 52 HD1 PHE 52 5.468 2.591 -1.220 406 HE1 PHE 52 HE2 PHE 52 7.641 1.196 -5.405 407 HE2 PHE 52 HE1 PHE 52 7.222 0.862 -1.174 408 HZ PHE 52 HZ PHE 52 8.317 0.163 -3.272 409 H ILE 53 HN ILE 53 1.100 3.218 -2.999 410 HA ILE 53 HA ILE 53 0.433 6.071 -2.748 411 HB ILE 53 HB ILE 53 -1.766 5.904 -3.615 412 HG12 ILE 53 HG12 ILE 53 -1.740 3.265 -4.802 413 HG13 ILE 53 HG13 ILE 53 -1.588 3.163 -3.050 414 HG21 ILE 53 HG21 ILE 53 -1.354 5.561 -5.941 415 HG22 ILE 53 HG22 ILE 53 0.110 6.220 -5.214 416 HG23 ILE 53 HG23 ILE 53 0.013 4.501 -5.596 417 HD11 ILE 53 HD11 ILE 53 -3.888 3.080 -3.483 418 HD12 ILE 53 HD12 ILE 53 -3.584 4.731 -2.950 419 HD13 ILE 53 HD13 ILE 53 -3.798 4.383 -4.665 420 H LYS 54 HN LYS 54 -1.336 6.403 -1.121 421 HA LYS 54 HA LYS 54 -1.515 4.150 0.794 422 HB2 LYS 54 HB2 LYS 54 -1.570 7.089 1.532 423 HB3 LYS 54 HB3 LYS 54 -1.544 5.724 2.627 424 HG2 LYS 54 HG2 LYS 54 0.611 6.291 2.801 425 HG3 LYS 54 HG3 LYS 54 0.769 5.300 1.360 426 HD2 LYS 54 HD2 LYS 54 1.484 7.069 0.202 427 HD3 LYS 54 HD3 LYS 54 0.005 7.936 0.585 428 HE2 LYS 54 HE2 LYS 54 2.138 9.070 1.289 429 HE3 LYS 54 HE3 LYS 54 0.934 8.853 2.557 430 HZ1 LYS 54 HZ1 LYS 54 2.413 7.744 3.746 431 HZ2 LYS 54 HZ2 LYS 54 3.585 8.004 2.556 432 HZ3 LYS 54 HZ3 LYS 54 2.630 6.610 2.511 433 H VAL 55 HN VAL 55 -3.465 3.726 1.671 434 HA VAL 55 HA VAL 55 -5.671 5.544 1.087 435 HB VAL 55 HB VAL 55 -5.685 2.592 0.477 436 HG11 VAL 55 HG11 VAL 55 -7.949 4.565 0.232 437 HG12 VAL 55 HG12 VAL 55 -7.982 2.892 -0.336 438 HG13 VAL 55 HG13 VAL 55 -7.845 3.240 1.391 439 HG21 VAL 55 HG21 VAL 55 -4.879 4.720 -1.105 440 HG22 VAL 55 HG22 VAL 55 -5.216 3.071 -1.622 441 HG23 VAL 55 HG23 VAL 55 -6.485 4.293 -1.689 442 H ASP 56 HN ASP 56 -6.547 6.027 2.945 443 HA ASP 56 HA ASP 56 -6.182 4.349 5.255 444 HB2 ASP 56 HB2 ASP 56 -6.883 6.204 6.525 445 HB3 ASP 56 HB3 ASP 56 -6.027 6.915 5.165 446 H VAL 57 HN VAL 57 -7.915 3.678 6.647 447 HA VAL 57 HA VAL 57 -10.074 2.554 5.113 448 HB VAL 57 HB VAL 57 -10.557 1.188 6.983 449 HG11 VAL 57 HG11 VAL 57 -8.724 0.024 6.526 450 HG12 VAL 57 HG12 VAL 57 -7.846 1.490 6.091 451 HG13 VAL 57 HG13 VAL 57 -7.875 0.945 7.768 452 HG21 VAL 57 HG21 VAL 57 -9.551 1.567 9.218 453 HG22 VAL 57 HG22 VAL 57 -8.918 3.106 8.637 454 HG23 VAL 57 HG23 VAL 57 -10.660 2.847 8.729 455 H ASP 58 HN ASP 58 -9.613 5.241 7.206 456 HA ASP 58 HA ASP 58 -12.300 5.482 8.109 457 HB2 ASP 58 HB2 ASP 58 -10.061 7.505 8.063 458 HB3 ASP 58 HB3 ASP 58 -11.595 7.721 8.898 459 H GLU 59 HN GLU 59 -10.418 7.137 5.605 460 HA GLU 59 HA GLU 59 -12.527 8.869 4.834 461 HB2 GLU 59 HB2 GLU 59 -9.893 8.922 4.413 462 HB3 GLU 59 HB3 GLU 59 -10.385 8.195 2.890 463 HG2 GLU 59 HG2 GLU 59 -10.957 10.174 2.098 464 HG3 GLU 59 HG3 GLU 59 -12.092 10.405 3.428 465 H VAL 60 HN VAL 60 -11.300 5.810 3.469 466 HA VAL 60 HA VAL 60 -13.774 5.703 1.874 467 HB VAL 60 HB VAL 60 -12.335 4.181 0.340 468 HG11 VAL 60 HG11 VAL 60 -11.463 6.327 -0.820 469 HG12 VAL 60 HG12 VAL 60 -13.200 6.087 -0.638 470 HG13 VAL 60 HG13 VAL 60 -12.339 7.165 0.461 471 HG21 VAL 60 HG21 VAL 60 -9.960 5.039 0.226 472 HG22 VAL 60 HG22 VAL 60 -10.231 5.744 1.819 473 HG23 VAL 60 HG23 VAL 60 -10.336 3.998 1.599 474 H SER 61 HN SER 61 -14.680 4.575 3.713 475 HA SER 61 HA SER 61 -13.690 2.152 4.725 476 HB2 SER 61 HB2 SER 61 -16.187 3.669 4.858 477 HB3 SER 61 HB3 SER 61 -16.443 1.925 4.925 478 HG SER 61 HG SER 61 -15.924 3.256 6.952 479 H GLU 62 HN GLU 62 -15.600 2.911 1.896 480 HA GLU 62 HA GLU 62 -16.508 0.347 1.245 481 HB2 GLU 62 HB2 GLU 62 -16.168 2.913 -0.154 482 HB3 GLU 62 HB3 GLU 62 -16.102 1.504 -1.203 483 HG2 GLU 62 HG2 GLU 62 -18.289 1.188 0.584 484 HG3 GLU 62 HG3 GLU 62 -18.371 2.799 -0.126 485 H VAL 63 HN VAL 63 -13.388 1.848 0.903 486 HA VAL 63 HA VAL 63 -12.297 0.024 -0.982 487 HB VAL 63 HB VAL 63 -10.943 1.810 1.047 488 HG11 VAL 63 HG11 VAL 63 -9.072 1.355 -0.878 489 HG12 VAL 63 HG12 VAL 63 -9.142 0.526 0.678 490 HG13 VAL 63 HG13 VAL 63 -9.847 -0.225 -0.754 491 HG21 VAL 63 HG21 VAL 63 -10.745 3.408 -0.599 492 HG22 VAL 63 HG22 VAL 63 -10.912 2.239 -1.910 493 HG23 VAL 63 HG23 VAL 63 -12.324 2.719 -0.968 494 H THR 64 HN THR 64 -12.405 0.174 2.523 495 HA THR 64 HA THR 64 -10.704 -1.960 3.120 496 HB THR 64 HB THR 64 -13.179 -0.996 4.577 497 HG1 THR 64 HG1 THR 64 -11.781 0.314 5.664 498 HG21 THR 64 HG21 THR 64 -12.631 -2.282 6.410 499 HG22 THR 64 HG22 THR 64 -12.145 -3.368 5.108 500 HG23 THR 64 HG23 THR 64 -10.932 -2.405 5.950 501 H GLU 65 HN GLU 65 -14.199 -1.880 2.533 502 HA GLU 65 HA GLU 65 -14.549 -4.702 2.769 503 HB2 GLU 65 HB2 GLU 65 -16.270 -2.657 2.858 504 HB3 GLU 65 HB3 GLU 65 -16.463 -3.087 1.165 505 HG2 GLU 65 HG2 GLU 65 -17.293 -5.200 1.667 506 HG3 GLU 65 HG3 GLU 65 -16.656 -5.162 3.311 507 H LYS 66 HN LYS 66 -13.812 -2.506 0.155 508 HA LYS 66 HA LYS 66 -14.432 -4.069 -2.063 509 HB2 LYS 66 HB2 LYS 66 -13.612 -1.630 -1.893 510 HB3 LYS 66 HB3 LYS 66 -11.994 -2.314 -1.908 511 HG2 LYS 66 HG2 LYS 66 -13.940 -3.052 -4.024 512 HG3 LYS 66 HG3 LYS 66 -13.088 -1.510 -4.102 513 HD2 LYS 66 HD2 LYS 66 -11.538 -4.020 -3.642 514 HD3 LYS 66 HD3 LYS 66 -12.106 -3.646 -5.268 515 HE2 LYS 66 HE2 LYS 66 -11.043 -1.262 -4.479 516 HE3 LYS 66 HE3 LYS 66 -9.977 -2.415 -3.679 517 HZ1 LYS 66 HZ1 LYS 66 -8.943 -2.331 -5.667 518 HZ2 LYS 66 HZ2 LYS 66 -10.333 -1.880 -6.517 519 HZ3 LYS 66 HZ3 LYS 66 -10.094 -3.498 -6.087 520 H GLU 67 HN GLU 67 -11.502 -3.939 -0.135 521 HA GLU 67 HA GLU 67 -10.387 -6.193 -1.642 522 HB2 GLU 67 HB2 GLU 67 -9.068 -4.308 0.313 523 HB3 GLU 67 HB3 GLU 67 -8.252 -5.605 -0.550 524 HG2 GLU 67 HG2 GLU 67 -9.697 -3.383 -1.955 525 HG3 GLU 67 HG3 GLU 67 -8.000 -3.276 -1.491 526 H ASN 68 HN ASN 68 -12.422 -6.120 0.753 527 HA ASN 68 HA ASN 68 -12.882 -7.384 2.596 528 HB2 ASN 68 HB2 ASN 68 -12.198 -9.075 0.632 529 HB3 ASN 68 HB3 ASN 68 -10.925 -9.469 1.782 530 HD21 ASN 68 HD21 ASN 68 -14.276 -9.666 1.047 531 HD22 ASN 68 HD22 ASN 68 -14.734 -10.668 2.378 532 H ILE 69 HN ILE 69 -11.030 -5.445 3.104 533 HA ILE 69 HA ILE 69 -8.632 -6.331 4.299 534 HB ILE 69 HB ILE 69 -10.247 -3.840 4.834 535 HG12 ILE 69 HG12 ILE 69 -9.507 -4.029 2.503 536 HG13 ILE 69 HG13 ILE 69 -8.650 -2.737 3.334 537 HG21 ILE 69 HG21 ILE 69 -7.503 -3.419 5.329 538 HG22 ILE 69 HG22 ILE 69 -8.846 -3.357 6.471 539 HG23 ILE 69 HG23 ILE 69 -7.985 -4.873 6.204 540 HD11 ILE 69 HD11 ILE 69 -6.711 -3.648 2.828 541 HD12 ILE 69 HD12 ILE 69 -7.181 -5.170 3.585 542 HD13 ILE 69 HD13 ILE 69 -7.567 -4.872 1.888 543 H THR 70 HN THR 70 -8.497 -7.664 5.999 544 HA THR 70 HA THR 70 -10.587 -7.508 8.060 545 HB THR 70 HB THR 70 -9.499 -9.827 8.661 546 HG1 THR 70 HG1 THR 70 -8.893 -10.830 6.580 547 HG21 THR 70 HG21 THR 70 -11.830 -9.237 7.747 548 HG22 THR 70 HG22 THR 70 -11.182 -9.724 6.181 549 HG23 THR 70 HG23 THR 70 -11.241 -10.883 7.509 550 H SER 71 HN SER 71 -7.064 -7.692 7.628 551 HA SER 71 HA SER 71 -6.795 -6.897 10.459 552 HB2 SER 71 HB2 SER 71 -6.033 -9.291 9.688 553 HB3 SER 71 HB3 SER 71 -4.618 -8.425 9.091 554 HG SER 71 HG SER 71 -4.806 -9.282 11.437 555 H MET 72 HN MET 72 -5.702 -5.100 10.868 556 HA MET 72 HA MET 72 -4.055 -3.903 8.727 557 HB2 MET 72 HB2 MET 72 -6.192 -2.824 10.392 558 HB3 MET 72 HB3 MET 72 -4.726 -1.866 10.503 559 HG2 MET 72 HG2 MET 72 -5.215 -0.882 8.596 560 HG3 MET 72 HG3 MET 72 -5.158 -2.433 7.769 561 HE1 MET 72 HE1 MET 72 -7.093 -0.811 10.430 562 HE2 MET 72 HE2 MET 72 -8.698 -1.521 10.252 563 HE3 MET 72 HE3 MET 72 -8.330 0.029 9.495 564 HA PRO 73 HA PRO 73 -2.792 -1.929 8.680 565 HB2 PRO 73 HB2 PRO 73 -0.162 -1.712 8.129 566 HB3 PRO 73 HB3 PRO 73 -0.920 -0.737 9.397 567 HG2 PRO 73 HG2 PRO 73 0.655 -3.276 9.649 568 HG3 PRO 73 HG3 PRO 73 0.782 -1.785 10.603 569 HD2 PRO 73 HD2 PRO 73 -0.573 -3.964 11.472 570 HD3 PRO 73 HD3 PRO 73 -1.053 -2.309 11.896 571 H THR 74 HN THR 74 -2.886 -2.578 6.549 572 HA THR 74 HA THR 74 -1.642 -5.175 5.905 573 HB THR 74 HB THR 74 -3.928 -4.366 4.229 574 HG1 THR 74 HG1 THR 74 -5.224 -5.458 6.104 575 HG21 THR 74 HG21 THR 74 -3.446 -6.967 5.660 576 HG22 THR 74 HG22 THR 74 -4.354 -6.682 4.176 577 HG23 THR 74 HG23 THR 74 -2.596 -6.541 4.175 578 H PHE 75 HN PHE 75 -0.237 -5.201 4.293 579 HA PHE 75 HA PHE 75 -0.170 -2.937 2.405 580 HB2 PHE 75 HB2 PHE 75 2.033 -4.694 3.454 581 HB3 PHE 75 HB3 PHE 75 2.225 -3.774 1.977 582 HD1 PHE 75 HD2 PHE 75 0.176 -1.976 4.221 583 HD2 PHE 75 HD1 PHE 75 4.242 -2.975 3.426 584 HE1 PHE 75 HE2 PHE 75 0.911 -0.027 5.528 585 HE2 PHE 75 HE1 PHE 75 4.976 -1.027 4.739 586 HZ PHE 75 HZ PHE 75 3.313 0.449 5.784 587 H LYS 76 HN LYS 76 -0.960 -3.467 0.459 588 HA LYS 76 HA LYS 76 -0.588 -6.249 -0.444 589 HB2 LYS 76 HB2 LYS 76 -2.991 -4.547 -0.311 590 HB3 LYS 76 HB3 LYS 76 -2.792 -5.434 -1.813 591 HG2 LYS 76 HG2 LYS 76 -2.328 -7.396 -0.010 592 HG3 LYS 76 HG3 LYS 76 -3.474 -6.388 0.876 593 HD2 LYS 76 HD2 LYS 76 -4.006 -7.097 -1.973 594 HD3 LYS 76 HD3 LYS 76 -4.343 -8.274 -0.703 595 HE2 LYS 76 HE2 LYS 76 -5.522 -5.527 -1.045 596 HE3 LYS 76 HE3 LYS 76 -6.362 -7.075 -1.071 597 HZ1 LYS 76 HZ1 LYS 76 -5.269 -7.145 1.352 598 HZ2 LYS 76 HZ2 LYS 76 -6.813 -6.526 1.046 599 HZ3 LYS 76 HZ3 LYS 76 -5.496 -5.476 1.188 600 H VAL 77 HN VAL 77 0.085 -6.594 -2.491 601 HA VAL 77 HA VAL 77 0.696 -4.211 -4.105 602 HB VAL 77 HB VAL 77 1.921 -6.969 -4.334 603 HG11 VAL 77 HG11 VAL 77 1.790 -5.530 -6.414 604 HG12 VAL 77 HG12 VAL 77 2.866 -4.399 -5.590 605 HG13 VAL 77 HG13 VAL 77 3.407 -6.044 -5.934 606 HG21 VAL 77 HG21 VAL 77 3.753 -6.252 -3.126 607 HG22 VAL 77 HG22 VAL 77 3.402 -4.547 -3.410 608 HG23 VAL 77 HG23 VAL 77 2.429 -5.468 -2.263 609 H TYR 78 HN TYR 78 -0.197 -4.021 -6.094 610 HA TYR 78 HA TYR 78 -2.041 -6.169 -6.873 611 HB2 TYR 78 HB2 TYR 78 -2.164 -3.204 -7.309 612 HB3 TYR 78 HB3 TYR 78 -3.280 -4.327 -8.040 613 HD1 TYR 78 HD2 TYR 78 -2.116 -2.894 -4.858 614 HD2 TYR 78 HD1 TYR 78 -5.085 -5.268 -6.761 615 HE1 TYR 78 HE2 TYR 78 -3.500 -2.780 -2.831 616 HE2 TYR 78 HE1 TYR 78 -6.477 -5.161 -4.745 617 HH TYR 78 HH TYR 78 -6.486 -3.189 -2.626 618 H LYS 79 HN LYS 79 -1.833 -7.136 -8.773 619 HA LYS 79 HA LYS 79 -0.027 -5.941 -10.764 620 HB2 LYS 79 HB2 LYS 79 0.939 -7.948 -9.749 621 HB3 LYS 79 HB3 LYS 79 -0.513 -8.862 -10.137 622 HG2 LYS 79 HG2 LYS 79 0.249 -9.333 -12.151 623 HG3 LYS 79 HG3 LYS 79 0.531 -7.627 -12.498 624 HD2 LYS 79 HD2 LYS 79 2.610 -8.079 -10.882 625 HD3 LYS 79 HD3 LYS 79 2.405 -9.708 -11.528 626 HE2 LYS 79 HE2 LYS 79 2.415 -8.655 -13.826 627 HE3 LYS 79 HE3 LYS 79 2.929 -7.162 -13.043 628 HZ1 LYS 79 HZ1 LYS 79 4.399 -9.708 -12.699 629 HZ2 LYS 79 HZ2 LYS 79 4.931 -8.139 -12.359 630 HZ3 LYS 79 HZ3 LYS 79 4.738 -8.636 -13.964 631 H ASN 80 HN ASN 80 -0.840 -5.542 -12.664 632 HA ASN 80 HA ASN 80 -2.312 -5.338 -14.382 633 HB2 ASN 80 HB2 ASN 80 -2.540 -8.208 -13.608 634 HB3 ASN 80 HB3 ASN 80 -3.719 -7.559 -14.741 635 HD21 ASN 80 HD21 ASN 80 -0.554 -8.722 -14.333 636 HD22 ASN 80 HD22 ASN 80 0.012 -8.430 -15.938 637 H GLY 81 HN GLY 81 -3.177 -4.394 -11.811 638 HA2 GLY 81 HA2 GLY 81 -5.093 -3.375 -11.043 639 HA3 GLY 81 HA3 GLY 81 -5.953 -4.058 -12.410 640 H SER 82 HN SER 82 -4.185 -5.933 -9.979 641 HA SER 82 HA SER 82 -6.609 -6.574 -8.561 642 HB2 SER 82 HB2 SER 82 -5.605 -8.318 -10.687 643 HB3 SER 82 HB3 SER 82 -5.765 -9.152 -9.141 644 HG SER 82 HG SER 82 -7.888 -8.863 -9.181 645 H SER 83 HN SER 83 -6.187 -8.151 -6.767 646 HA SER 83 HA SER 83 -3.845 -7.337 -5.397 647 HB2 SER 83 HB2 SER 83 -4.713 -9.382 -3.875 648 HB3 SER 83 HB3 SER 83 -5.434 -7.777 -3.834 649 HG SER 83 HG SER 83 -7.033 -9.359 -4.100 650 H VAL 84 HN VAL 84 -1.908 -8.330 -5.101 651 HA VAL 84 HA VAL 84 -1.577 -10.950 -6.392 652 HB VAL 84 HB VAL 84 -0.574 -8.873 -7.529 653 HG11 VAL 84 HG11 VAL 84 1.911 -9.151 -6.067 654 HG12 VAL 84 HG12 VAL 84 1.067 -7.707 -6.626 655 HG13 VAL 84 HG13 VAL 84 0.612 -8.458 -5.100 656 HG21 VAL 84 HG21 VAL 84 0.712 -10.291 -8.674 657 HG22 VAL 84 HG22 VAL 84 1.638 -10.757 -7.246 658 HG23 VAL 84 HG23 VAL 84 0.079 -11.516 -7.572 659 H ASP 85 HN ASP 85 -0.687 -8.900 -3.660 660 HA ASP 85 HA ASP 85 -0.010 -11.270 -2.149 661 HB2 ASP 85 HB2 ASP 85 2.126 -10.598 -3.244 662 HB3 ASP 85 HB3 ASP 85 2.029 -9.057 -2.396 663 H THR 86 HN THR 86 0.334 -10.802 0.167 664 HA THR 86 HA THR 86 -0.752 -8.229 1.038 665 HB THR 86 HB THR 86 -2.111 -9.424 2.738 666 HG1 THR 86 HG1 THR 86 -1.392 -11.688 1.174 667 HG21 THR 86 HG21 THR 86 -3.574 -8.747 1.155 668 HG22 THR 86 HG22 THR 86 -2.629 -9.447 -0.159 669 HG23 THR 86 HG23 THR 86 -3.682 -10.474 0.814 670 H LEU 87 HN LEU 87 0.167 -7.439 2.883 671 HA LEU 87 HA LEU 87 2.000 -9.209 4.350 672 HB2 LEU 87 HB2 LEU 87 3.698 -8.001 3.568 673 HB3 LEU 87 HB3 LEU 87 2.612 -6.851 2.821 674 HG LEU 87 HG LEU 87 2.487 -5.655 5.026 675 HD11 LEU 87 HD11 LEU 87 3.247 -6.670 6.827 676 HD12 LEU 87 HD12 LEU 87 3.977 -7.955 5.864 677 HD13 LEU 87 HD13 LEU 87 4.879 -6.473 6.187 678 HD21 LEU 87 HD21 LEU 87 5.298 -5.883 3.996 679 HD22 LEU 87 HD22 LEU 87 4.015 -5.075 3.095 680 HD23 LEU 87 HD23 LEU 87 4.496 -4.470 4.681 681 H LEU 88 HN LEU 88 1.526 -9.355 6.424 682 HA LEU 88 HA LEU 88 -0.327 -7.449 7.619 683 HB2 LEU 88 HB2 LEU 88 0.304 -10.252 7.992 684 HB3 LEU 88 HB3 LEU 88 0.304 -9.395 9.522 685 HG LEU 88 HG LEU 88 -1.988 -9.297 7.566 686 HD11 LEU 88 HD11 LEU 88 -2.012 -10.891 10.094 687 HD12 LEU 88 HD12 LEU 88 -3.044 -11.030 8.670 688 HD13 LEU 88 HD13 LEU 88 -1.373 -11.589 8.606 689 HD21 LEU 88 HD21 LEU 88 -2.942 -8.804 10.084 690 HD22 LEU 88 HD22 LEU 88 -1.369 -8.008 10.112 691 HD23 LEU 88 HD23 LEU 88 -2.553 -7.577 8.878 692 H GLY 89 HN GLY 89 0.124 -6.118 9.314 693 HA2 GLY 89 HA2 GLY 89 1.381 -4.939 10.847 694 HA3 GLY 89 HA3 GLY 89 2.449 -6.336 10.941 695 H ALA 90 HN ALA 90 2.472 -3.147 10.258 696 HA ALA 90 HA ALA 90 4.030 -3.186 7.852 697 HB1 ALA 90 HB1 ALA 90 4.299 -0.766 9.399 698 HB2 ALA 90 HB2 ALA 90 3.591 -1.016 7.804 699 HB3 ALA 90 HB3 ALA 90 2.615 -1.265 9.251 700 H ASN 91 HN ASN 91 5.955 -4.053 7.862 701 HA ASN 91 HA ASN 91 7.876 -3.229 9.929 702 HB2 ASN 91 HB2 ASN 91 7.086 -5.754 9.808 703 HB3 ASN 91 HB3 ASN 91 8.231 -5.826 8.480 704 HD21 ASN 91 HD21 ASN 91 7.804 -5.671 11.870 705 HD22 ASN 91 HD22 ASN 91 9.494 -5.753 12.311 706 H ASP 92 HN ASP 92 9.813 -2.403 9.132 707 HA ASP 92 HA ASP 92 9.803 -1.490 6.457 708 HB2 ASP 92 HB2 ASP 92 12.052 -1.671 8.476 709 HB3 ASP 92 HB3 ASP 92 12.172 -0.824 6.938 710 H SER 93 HN SER 93 11.544 -4.127 8.062 711 HA SER 93 HA SER 93 13.031 -4.963 5.791 712 HB2 SER 93 HB2 SER 93 12.410 -6.731 8.128 713 HB3 SER 93 HB3 SER 93 13.877 -6.647 7.160 714 HG SER 93 HG SER 93 14.607 -5.193 8.473 715 H ALA 94 HN ALA 94 9.982 -6.029 7.197 716 HA ALA 94 HA ALA 94 9.749 -8.383 5.613 717 HB1 ALA 94 HB1 ALA 94 8.551 -7.843 7.811 718 HB2 ALA 94 HB2 ALA 94 7.417 -6.927 6.817 719 HB3 ALA 94 HB3 ALA 94 7.622 -8.659 6.554 720 H LEU 95 HN LEU 95 8.842 -5.078 5.185 721 HA LEU 95 HA LEU 95 7.247 -5.631 2.865 722 HB2 LEU 95 HB2 LEU 95 6.492 -3.707 3.824 723 HB3 LEU 95 HB3 LEU 95 8.085 -3.246 4.398 724 HG LEU 95 HG LEU 95 8.394 -3.056 1.694 725 HD11 LEU 95 HD11 LEU 95 6.047 -3.567 1.377 726 HD12 LEU 95 HD12 LEU 95 5.618 -2.115 2.289 727 HD13 LEU 95 HD13 LEU 95 6.492 -1.971 0.761 728 HD21 LEU 95 HD21 LEU 95 7.422 -0.567 2.737 729 HD22 LEU 95 HD22 LEU 95 8.480 -1.377 3.901 730 HD23 LEU 95 HD23 LEU 95 9.059 -1.047 2.261 731 H LYS 96 HN LYS 96 10.545 -4.734 3.662 732 HA LYS 96 HA LYS 96 11.386 -3.776 1.209 733 HB2 LYS 96 HB2 LYS 96 12.667 -4.075 3.482 734 HB3 LYS 96 HB3 LYS 96 13.150 -5.618 2.790 735 HG2 LYS 96 HG2 LYS 96 13.501 -3.226 1.090 736 HG3 LYS 96 HG3 LYS 96 14.567 -3.385 2.488 737 HD2 LYS 96 HD2 LYS 96 14.479 -5.919 1.270 738 HD3 LYS 96 HD3 LYS 96 14.664 -4.746 -0.036 739 HE2 LYS 96 HE2 LYS 96 16.630 -3.849 0.920 740 HE3 LYS 96 HE3 LYS 96 16.358 -4.699 2.442 741 HZ1 LYS 96 HZ1 LYS 96 17.020 -6.701 1.541 742 HZ2 LYS 96 HZ2 LYS 96 18.072 -5.622 0.774 743 HZ3 LYS 96 HZ3 LYS 96 16.724 -6.220 -0.054 744 H GLN 97 HN GLN 97 11.263 -7.097 2.443 745 HA GLN 97 HA GLN 97 12.116 -8.255 -0.017 746 HB2 GLN 97 HB2 GLN 97 11.656 -10.389 0.981 747 HB3 GLN 97 HB3 GLN 97 12.436 -9.362 2.173 748 HG2 GLN 97 HG2 GLN 97 10.241 -8.920 3.194 749 HG3 GLN 97 HG3 GLN 97 9.500 -10.011 2.021 750 HE21 GLN 97 HE21 GLN 97 11.012 -9.751 5.025 751 HE22 GLN 97 HE22 GLN 97 11.194 -11.436 5.357 752 H LEU 98 HN LEU 98 8.898 -7.508 1.362 753 HA LEU 98 HA LEU 98 7.469 -9.067 -0.538 754 HB2 LEU 98 HB2 LEU 98 6.177 -8.553 1.286 755 HB3 LEU 98 HB3 LEU 98 6.848 -6.942 1.446 756 HG LEU 98 HG LEU 98 5.241 -7.344 -0.963 757 HD11 LEU 98 HD11 LEU 98 4.214 -8.208 1.590 758 HD12 LEU 98 HD12 LEU 98 3.282 -6.856 0.947 759 HD13 LEU 98 HD13 LEU 98 3.486 -8.321 -0.012 760 HD21 LEU 98 HD21 LEU 98 4.732 -5.262 1.090 761 HD22 LEU 98 HD22 LEU 98 6.252 -5.209 0.197 762 HD23 LEU 98 HD23 LEU 98 4.717 -5.143 -0.670 763 H ILE 99 HN ILE 99 8.282 -5.649 -0.322 764 HA ILE 99 HA ILE 99 7.183 -4.896 -2.819 765 HB ILE 99 HB ILE 99 7.726 -3.552 -0.640 766 HG12 ILE 99 HG12 ILE 99 6.572 -2.831 -2.742 767 HG13 ILE 99 HG13 ILE 99 7.421 -1.558 -1.870 768 HG21 ILE 99 HG21 ILE 99 10.048 -3.680 -0.470 769 HG22 ILE 99 HG22 ILE 99 10.282 -3.317 -2.181 770 HG23 ILE 99 HG23 ILE 99 9.723 -2.058 -1.078 771 HD11 ILE 99 HD11 ILE 99 8.884 -1.236 -3.541 772 HD12 ILE 99 HD12 ILE 99 8.989 -2.949 -3.903 773 HD13 ILE 99 HD13 ILE 99 7.634 -2.003 -4.517 774 H GLU 100 HN GLU 100 10.294 -6.040 -1.748 775 HA GLU 100 HA GLU 100 11.748 -5.387 -4.074 776 HB2 GLU 100 HB2 GLU 100 12.148 -7.084 -1.699 777 HB3 GLU 100 HB3 GLU 100 13.044 -7.576 -3.128 778 HG2 GLU 100 HG2 GLU 100 13.550 -4.923 -3.113 779 HG3 GLU 100 HG3 GLU 100 13.402 -5.242 -1.389 780 H LYS 101 HN LYS 101 9.710 -8.062 -3.203 781 HA LYS 101 HA LYS 101 10.518 -9.927 -5.114 782 HB2 LYS 101 HB2 LYS 101 8.520 -9.638 -3.140 783 HB3 LYS 101 HB3 LYS 101 7.709 -10.124 -4.614 784 HG2 LYS 101 HG2 LYS 101 9.945 -11.788 -4.433 785 HG3 LYS 101 HG3 LYS 101 9.282 -11.701 -2.799 786 HD2 LYS 101 HD2 LYS 101 8.288 -13.541 -4.096 787 HD3 LYS 101 HD3 LYS 101 7.087 -12.337 -3.631 788 HE2 LYS 101 HE2 LYS 101 6.489 -12.353 -5.782 789 HE3 LYS 101 HE3 LYS 101 7.950 -11.406 -6.057 790 HZ1 LYS 101 HZ1 LYS 101 7.395 -13.741 -7.259 791 HZ2 LYS 101 HZ2 LYS 101 8.368 -14.263 -5.978 792 HZ3 LYS 101 HZ3 LYS 101 8.955 -13.112 -7.070 793 H TYR 102 HN TYR 102 7.926 -7.527 -5.251 794 HA TYR 102 HA TYR 102 7.456 -8.235 -8.042 795 HB2 TYR 102 HB2 TYR 102 5.799 -6.268 -6.503 796 HB3 TYR 102 HB3 TYR 102 5.318 -7.345 -7.814 797 HD1 TYR 102 HD1 TYR 102 5.470 -9.890 -7.288 798 HD2 TYR 102 HD2 TYR 102 5.299 -6.844 -4.325 799 HE1 TYR 102 HE1 TYR 102 4.712 -11.550 -5.646 800 HE2 TYR 102 HE2 TYR 102 4.512 -8.501 -2.672 801 HH TYR 102 HH TYR 102 4.925 -11.420 -2.686 802 H ALA 103 HN ALA 103 8.724 -5.738 -6.024 803 HA ALA 103 HA ALA 103 8.841 -3.894 -8.295 804 HB1 ALA 103 HB1 ALA 103 8.811 -2.205 -6.817 805 HB2 ALA 103 HB2 ALA 103 8.161 -3.441 -5.735 806 HB3 ALA 103 HB3 ALA 103 9.881 -3.038 -5.686 807 H ALA 104 HN ALA 104 10.883 -5.667 -6.042 808 HA ALA 104 HA ALA 104 13.211 -4.661 -7.516 809 HB1 ALA 104 HB1 ALA 104 13.349 -6.295 -5.005 810 HB2 ALA 104 HB2 ALA 104 14.606 -5.291 -5.726 811 HB3 ALA 104 HB3 ALA 104 13.186 -4.538 -5.002 Start of MODEL 9 1 HA SER 1 HA SER 1 7.032 10.372 -2.516 2 HB2 SER 1 HB2 SER 1 6.111 10.821 -5.288 3 HB3 SER 1 HB3 SER 1 4.957 11.292 -4.038 4 HG SER 1 HG SER 1 6.384 12.742 -3.253 5 H VAL 2 HN VAL 2 6.123 8.981 -1.033 6 HA VAL 2 HA VAL 2 4.106 7.095 -1.614 7 HB VAL 2 HB VAL 2 4.398 8.416 1.095 8 HG11 VAL 2 HG11 VAL 2 2.563 6.837 0.820 9 HG12 VAL 2 HG12 VAL 2 3.689 5.617 0.220 10 HG13 VAL 2 HG13 VAL 2 3.799 6.174 1.891 11 HG21 VAL 2 HG21 VAL 2 6.591 7.911 0.942 12 HG22 VAL 2 HG22 VAL 2 6.023 6.279 1.296 13 HG23 VAL 2 HG23 VAL 2 6.345 6.758 -0.370 14 H LYS 3 HN LYS 3 2.335 7.737 -2.623 15 HA LYS 3 HA LYS 3 1.065 10.271 -1.978 16 HB2 LYS 3 HB2 LYS 3 1.712 9.372 -4.294 17 HB3 LYS 3 HB3 LYS 3 0.299 8.338 -4.132 18 HG2 LYS 3 HG2 LYS 3 -0.676 10.040 -5.157 19 HG3 LYS 3 HG3 LYS 3 -0.807 10.661 -3.519 20 HD2 LYS 3 HD2 LYS 3 1.579 11.650 -4.103 21 HD3 LYS 3 HD3 LYS 3 0.958 11.524 -5.750 22 HE2 LYS 3 HE2 LYS 3 -1.150 12.656 -4.437 23 HE3 LYS 3 HE3 LYS 3 0.225 13.363 -3.590 24 HZ1 LYS 3 HZ1 LYS 3 1.018 14.333 -5.534 25 HZ2 LYS 3 HZ2 LYS 3 -0.654 14.565 -5.637 26 HZ3 LYS 3 HZ3 LYS 3 0.086 13.342 -6.541 27 H ILE 4 HN ILE 4 -0.821 10.465 -0.965 28 HA ILE 4 HA ILE 4 -2.268 8.012 -0.249 29 HB ILE 4 HB ILE 4 -1.381 9.628 1.539 30 HG12 ILE 4 HG12 ILE 4 -3.373 7.819 1.554 31 HG13 ILE 4 HG13 ILE 4 -2.891 8.732 2.977 32 HG21 ILE 4 HG21 ILE 4 -3.815 11.202 0.717 33 HG22 ILE 4 HG22 ILE 4 -2.773 11.526 2.102 34 HG23 ILE 4 HG23 ILE 4 -2.140 11.695 0.465 35 HD11 ILE 4 HD11 ILE 4 -5.411 8.516 2.191 36 HD12 ILE 4 HD12 ILE 4 -4.791 9.957 2.996 37 HD13 ILE 4 HD13 ILE 4 -4.964 9.933 1.240 38 H VAL 5 HN VAL 5 -4.155 7.611 -1.182 39 HA VAL 5 HA VAL 5 -5.426 9.726 -2.752 40 HB VAL 5 HB VAL 5 -4.979 7.842 -4.084 41 HG11 VAL 5 HG11 VAL 5 -5.866 6.286 -1.706 42 HG12 VAL 5 HG12 VAL 5 -6.073 5.570 -3.304 43 HG13 VAL 5 HG13 VAL 5 -4.468 6.053 -2.757 44 HG21 VAL 5 HG21 VAL 5 -7.850 7.401 -3.303 45 HG22 VAL 5 HG22 VAL 5 -7.308 8.785 -4.254 46 HG23 VAL 5 HG23 VAL 5 -7.095 7.147 -4.876 47 H THR 6 HN THR 6 -7.298 10.624 -2.168 48 HA THR 6 HA THR 6 -8.613 9.622 0.240 49 HB THR 6 HB THR 6 -7.989 11.921 0.375 50 HG1 THR 6 HG1 THR 6 -10.063 11.372 1.241 51 HG21 THR 6 HG21 THR 6 -9.496 13.371 -1.391 52 HG22 THR 6 HG22 THR 6 -7.783 12.998 -1.588 53 HG23 THR 6 HG23 THR 6 -9.001 11.993 -2.374 54 H SER 7 HN SER 7 -9.121 9.234 -3.023 55 HA SER 7 HA SER 7 -12.046 9.214 -2.664 56 HB2 SER 7 HB2 SER 7 -10.990 8.901 -5.401 57 HB3 SER 7 HB3 SER 7 -12.314 9.903 -4.807 58 HG SER 7 HG SER 7 -9.539 10.462 -4.597 59 H GLN 8 HN GLN 8 -13.258 7.435 -3.471 60 HA GLN 8 HA GLN 8 -12.018 4.924 -2.975 61 HB2 GLN 8 HB2 GLN 8 -14.204 4.814 -2.340 62 HB3 GLN 8 HB3 GLN 8 -14.745 5.907 -3.602 63 HG2 GLN 8 HG2 GLN 8 -15.609 3.609 -3.795 64 HG3 GLN 8 HG3 GLN 8 -14.747 4.173 -5.218 65 HE21 GLN 8 HE21 GLN 8 -12.877 3.325 -2.453 66 HE22 GLN 8 HE22 GLN 8 -12.280 1.833 -3.060 67 H SER 9 HN SER 9 -13.383 6.398 -5.908 68 HA SER 9 HA SER 9 -12.691 4.276 -7.636 69 HB2 SER 9 HB2 SER 9 -13.102 5.899 -9.458 70 HB3 SER 9 HB3 SER 9 -14.388 5.942 -8.251 71 HG SER 9 HG SER 9 -13.384 7.793 -7.362 72 H GLU 10 HN GLU 10 -11.015 7.171 -6.561 73 HA GLU 10 HA GLU 10 -8.872 7.078 -8.383 74 HB2 GLU 10 HB2 GLU 10 -9.163 8.219 -5.612 75 HB3 GLU 10 HB3 GLU 10 -7.636 8.302 -6.481 76 HG2 GLU 10 HG2 GLU 10 -9.604 9.203 -8.264 77 HG3 GLU 10 HG3 GLU 10 -9.951 9.965 -6.713 78 H PHE 11 HN PHE 11 -9.455 5.518 -5.279 79 HA PHE 11 HA PHE 11 -6.885 4.384 -4.941 80 HB2 PHE 11 HB2 PHE 11 -8.280 4.362 -3.024 81 HB3 PHE 11 HB3 PHE 11 -9.640 3.713 -3.922 82 HD1 PHE 11 HD2 PHE 11 -6.113 2.704 -3.283 83 HD2 PHE 11 HD1 PHE 11 -10.208 1.588 -3.332 84 HE1 PHE 11 HE2 PHE 11 -5.504 0.447 -2.551 85 HE2 PHE 11 HE1 PHE 11 -9.613 -0.676 -2.594 86 HZ PHE 11 HZ PHE 11 -7.256 -1.251 -2.190 87 H ASP 12 HN ASP 12 -9.897 3.072 -6.238 88 HA ASP 12 HA ASP 12 -8.784 0.600 -7.078 89 HB2 ASP 12 HB2 ASP 12 -11.299 2.102 -7.671 90 HB3 ASP 12 HB3 ASP 12 -10.913 0.662 -8.596 91 H SER 13 HN SER 13 -9.021 3.764 -8.503 92 HA SER 13 HA SER 13 -8.556 3.026 -11.188 93 HB2 SER 13 HB2 SER 13 -9.437 5.254 -10.454 94 HB3 SER 13 HB3 SER 13 -7.828 5.647 -9.862 95 HG SER 13 HG SER 13 -8.025 6.460 -11.926 96 H ILE 14 HN ILE 14 -6.426 3.956 -8.522 97 HA ILE 14 HA ILE 14 -4.048 3.995 -10.041 98 HB ILE 14 HB ILE 14 -4.513 3.359 -7.122 99 HG12 ILE 14 HG12 ILE 14 -3.132 5.841 -7.837 100 HG13 ILE 14 HG13 ILE 14 -4.760 5.747 -8.503 101 HG21 ILE 14 HG21 ILE 14 -1.874 4.329 -7.603 102 HG22 ILE 14 HG22 ILE 14 -2.377 2.788 -6.908 103 HG23 ILE 14 HG23 ILE 14 -2.161 2.940 -8.651 104 HD11 ILE 14 HD11 ILE 14 -5.162 6.732 -6.487 105 HD12 ILE 14 HD12 ILE 14 -5.381 5.034 -6.069 106 HD13 ILE 14 HD13 ILE 14 -3.870 5.851 -5.672 107 H ILE 15 HN ILE 15 -5.806 1.443 -8.446 108 HA ILE 15 HA ILE 15 -3.871 -0.593 -8.595 109 HB ILE 15 HB ILE 15 -6.834 -1.120 -8.748 110 HG12 ILE 15 HG12 ILE 15 -6.456 0.577 -7.016 111 HG13 ILE 15 HG13 ILE 15 -6.846 -0.964 -6.314 112 HG21 ILE 15 HG21 ILE 15 -4.561 -2.751 -8.464 113 HG22 ILE 15 HG22 ILE 15 -5.337 -2.700 -6.873 114 HG23 ILE 15 HG23 ILE 15 -6.252 -3.222 -8.299 115 HD11 ILE 15 HD11 ILE 15 -4.210 0.392 -6.416 116 HD12 ILE 15 HD12 ILE 15 -5.108 -0.185 -5.011 117 HD13 ILE 15 HD13 ILE 15 -4.357 -1.344 -6.115 118 H SER 16 HN SER 16 -6.396 0.359 -10.884 119 HA SER 16 HA SER 16 -5.782 -1.791 -12.725 120 HB2 SER 16 HB2 SER 16 -7.808 0.419 -12.676 121 HB3 SER 16 HB3 SER 16 -7.553 -0.538 -14.134 122 HG SER 16 HG SER 16 -9.194 -1.416 -12.796 123 H GLN 17 HN GLN 17 -4.911 1.555 -12.473 124 HA GLN 17 HA GLN 17 -4.283 1.866 -15.263 125 HB2 GLN 17 HB2 GLN 17 -4.141 3.597 -12.874 126 HB3 GLN 17 HB3 GLN 17 -3.233 4.048 -14.303 127 HG2 GLN 17 HG2 GLN 17 -5.531 5.014 -14.081 128 HG3 GLN 17 HG3 GLN 17 -5.155 4.243 -15.601 129 HE21 GLN 17 HE21 GLN 17 -7.370 4.007 -16.019 130 HE22 GLN 17 HE22 GLN 17 -8.317 2.797 -15.238 131 H ASN 18 HN ASN 18 -2.687 0.020 -13.287 132 HA ASN 18 HA ASN 18 -0.132 0.566 -14.528 133 HB2 ASN 18 HB2 ASN 18 -0.285 0.336 -11.524 134 HB3 ASN 18 HB3 ASN 18 1.117 0.745 -12.496 135 HD21 ASN 18 HD21 ASN 18 -2.051 1.869 -11.482 136 HD22 ASN 18 HD22 ASN 18 -1.708 3.554 -11.650 137 H GLU 19 HN GLU 19 1.346 -1.204 -14.420 138 HA GLU 19 HA GLU 19 0.076 -3.745 -14.502 139 HB2 GLU 19 HB2 GLU 19 2.237 -2.868 -15.714 140 HB3 GLU 19 HB3 GLU 19 3.048 -3.457 -14.269 141 HG2 GLU 19 HG2 GLU 19 2.210 -5.684 -14.657 142 HG3 GLU 19 HG3 GLU 19 1.270 -5.121 -16.038 143 H LEU 20 HN LEU 20 2.221 -2.178 -12.144 144 HA LEU 20 HA LEU 20 1.326 -4.210 -10.232 145 HB2 LEU 20 HB2 LEU 20 3.815 -4.281 -11.185 146 HB3 LEU 20 HB3 LEU 20 4.049 -3.054 -9.962 147 HG LEU 20 HG LEU 20 4.144 -4.554 -8.319 148 HD11 LEU 20 HD11 LEU 20 1.756 -4.892 -8.232 149 HD12 LEU 20 HD12 LEU 20 1.844 -6.051 -9.559 150 HD13 LEU 20 HD13 LEU 20 2.590 -6.428 -8.009 151 HD21 LEU 20 HD21 LEU 20 5.624 -5.838 -9.450 152 HD22 LEU 20 HD22 LEU 20 4.334 -7.032 -9.313 153 HD23 LEU 20 HD23 LEU 20 4.525 -6.106 -10.800 154 H VAL 21 HN VAL 21 0.539 -3.361 -8.388 155 HA VAL 21 HA VAL 21 1.285 -0.591 -7.789 156 HB VAL 21 HB VAL 21 -1.574 -1.597 -7.714 157 HG11 VAL 21 HG11 VAL 21 -0.316 0.518 -6.315 158 HG12 VAL 21 HG12 VAL 21 -1.347 1.235 -7.553 159 HG13 VAL 21 HG13 VAL 21 -2.030 0.110 -6.380 160 HG21 VAL 21 HG21 VAL 21 -0.900 0.684 -9.424 161 HG22 VAL 21 HG22 VAL 21 -0.200 -0.849 -9.942 162 HG23 VAL 21 HG23 VAL 21 -1.944 -0.703 -9.734 163 H ILE 22 HN ILE 22 1.956 -0.338 -5.770 164 HA ILE 22 HA ILE 22 0.964 -2.293 -3.788 165 HB ILE 22 HB ILE 22 3.306 -2.619 -3.959 166 HG12 ILE 22 HG12 ILE 22 3.765 -1.009 -1.644 167 HG13 ILE 22 HG13 ILE 22 2.122 -1.634 -1.575 168 HG21 ILE 22 HG21 ILE 22 3.915 0.252 -3.400 169 HG22 ILE 22 HG22 ILE 22 4.952 -0.997 -4.087 170 HG23 ILE 22 HG23 ILE 22 3.644 -0.313 -5.046 171 HD11 ILE 22 HD11 ILE 22 4.271 -3.540 -2.274 172 HD12 ILE 22 HD12 ILE 22 4.202 -2.957 -0.612 173 HD13 ILE 22 HD13 ILE 22 2.808 -3.774 -1.317 174 H VAL 23 HN VAL 23 -0.248 -1.535 -2.294 175 HA VAL 23 HA VAL 23 -0.149 1.311 -1.593 176 HB VAL 23 HB VAL 23 -2.035 1.027 -3.102 177 HG11 VAL 23 HG11 VAL 23 -2.340 -1.383 -2.793 178 HG12 VAL 23 HG12 VAL 23 -3.004 -1.088 -1.187 179 HG13 VAL 23 HG13 VAL 23 -3.856 -0.503 -2.615 180 HG21 VAL 23 HG21 VAL 23 -2.355 2.598 -1.303 181 HG22 VAL 23 HG22 VAL 23 -3.869 1.741 -1.590 182 HG23 VAL 23 HG23 VAL 23 -2.857 1.306 -0.213 183 H ASP 24 HN ASP 24 -0.356 1.734 0.524 184 HA ASP 24 HA ASP 24 -0.625 -0.622 2.250 185 HB2 ASP 24 HB2 ASP 24 0.696 2.040 2.725 186 HB3 ASP 24 HB3 ASP 24 0.469 0.837 3.979 187 H PHE 25 HN PHE 25 -2.551 -0.880 3.091 188 HA PHE 25 HA PHE 25 -4.322 1.387 3.510 189 HB2 PHE 25 HB2 PHE 25 -4.782 -1.523 4.257 190 HB3 PHE 25 HB3 PHE 25 -6.003 -0.274 4.009 191 HD1 PHE 25 HD1 PHE 25 -4.841 0.920 1.488 192 HD2 PHE 25 HD2 PHE 25 -5.516 -3.120 2.636 193 HE1 PHE 25 HE1 PHE 25 -5.012 0.286 -0.875 194 HE2 PHE 25 HE2 PHE 25 -5.696 -3.768 0.262 195 HZ PHE 25 HZ PHE 25 -5.443 -2.063 -1.523 196 H PHE 26 HN PHE 26 -3.952 2.554 5.265 197 HA PHE 26 HA PHE 26 -2.978 1.099 7.554 198 HB2 PHE 26 HB2 PHE 26 -1.267 2.893 7.954 199 HB3 PHE 26 HB3 PHE 26 -1.155 2.339 6.283 200 HD1 PHE 26 HD2 PHE 26 -2.762 3.715 4.621 201 HD2 PHE 26 HD1 PHE 26 -1.165 5.181 8.287 202 HE1 PHE 26 HE2 PHE 26 -3.132 6.022 3.838 203 HE2 PHE 26 HE1 PHE 26 -1.527 7.494 7.520 204 HZ PHE 26 HZ PHE 26 -2.497 7.920 5.292 205 H ALA 27 HN ALA 27 -3.068 3.484 9.802 206 HA ALA 27 HA ALA 27 -5.344 5.101 9.111 207 HB1 ALA 27 HB1 ALA 27 -5.433 3.036 11.362 208 HB2 ALA 27 HB2 ALA 27 -6.583 4.392 11.248 209 HB3 ALA 27 HB3 ALA 27 -6.513 3.149 9.988 210 H GLU 28 HN GLU 28 -5.310 6.986 10.129 211 HA GLU 28 HA GLU 28 -3.032 8.453 10.671 212 HB2 GLU 28 HB2 GLU 28 -5.454 9.131 12.271 213 HB3 GLU 28 HB3 GLU 28 -4.452 10.085 11.205 214 HG2 GLU 28 HG2 GLU 28 -5.440 8.726 9.307 215 HG3 GLU 28 HG3 GLU 28 -6.611 8.149 10.494 216 H TRP 29 HN TRP 29 -3.908 6.086 13.803 217 HA TRP 29 HA TRP 29 -2.897 8.525 15.807 218 HB2 TRP 29 HB2 TRP 29 -4.572 6.879 17.230 219 HB3 TRP 29 HB3 TRP 29 -5.247 8.101 16.193 220 HD1 TRP 29 HD1 TRP 29 -7.624 7.062 14.403 221 HE1 TRP 29 HE1 TRP 29 -8.325 4.655 14.015 222 HE3 TRP 29 HE3 TRP 29 -4.145 4.373 17.422 223 HZ2 TRP 29 HZ2 TRP 29 -7.722 2.079 14.808 224 HZ3 TRP 29 HZ3 TRP 29 -4.424 1.940 17.505 225 HH2 TRP 29 HH2 TRP 29 -6.196 0.824 16.257 226 H CYS 30 HN CYS 30 -1.467 5.503 13.987 227 HA CYS 30 HA CYS 30 -0.489 4.519 16.581 228 HB2 CYS 30 HB2 CYS 30 0.392 2.793 14.622 229 HB3 CYS 30 HB3 CYS 30 -1.081 2.584 15.565 230 H GLY 31 HN GLY 31 1.726 4.180 16.896 231 HA2 GLY 31 HA2 GLY 31 3.457 6.144 15.789 232 HA3 GLY 31 HA3 GLY 31 3.935 4.820 16.841 233 HA PRO 32 HA PRO 32 5.495 2.254 13.521 234 HB2 PRO 32 HB2 PRO 32 3.616 0.378 12.840 235 HB3 PRO 32 HB3 PRO 32 4.688 0.250 14.235 236 HG2 PRO 32 HG2 PRO 32 1.856 1.251 14.099 237 HG3 PRO 32 HG3 PRO 32 2.565 0.136 15.272 238 HD2 PRO 32 HD2 PRO 32 2.207 2.661 15.918 239 HD3 PRO 32 HD3 PRO 32 3.713 1.848 16.383 240 H CYS 33 HN CYS 33 2.020 2.831 12.906 241 HA CYS 33 HA CYS 33 2.024 2.596 10.167 242 HB2 CYS 33 HB2 CYS 33 0.484 4.623 11.799 243 HB3 CYS 33 HB3 CYS 33 0.042 4.021 10.200 244 H LYS 34 HN LYS 34 2.657 5.597 11.988 245 HA LYS 34 HA LYS 34 3.400 7.104 9.683 246 HB2 LYS 34 HB2 LYS 34 2.613 8.155 11.773 247 HB3 LYS 34 HB3 LYS 34 4.062 7.593 12.594 248 HG2 LYS 34 HG2 LYS 34 5.309 8.917 10.738 249 HG3 LYS 34 HG3 LYS 34 3.762 9.743 10.548 250 HD2 LYS 34 HD2 LYS 34 5.359 9.517 13.100 251 HD3 LYS 34 HD3 LYS 34 5.214 10.956 12.088 252 HE2 LYS 34 HE2 LYS 34 3.020 9.583 13.633 253 HE3 LYS 34 HE3 LYS 34 3.723 11.167 13.961 254 HZ1 LYS 34 HZ1 LYS 34 2.837 11.959 11.861 255 HZ2 LYS 34 HZ2 LYS 34 1.594 11.349 12.831 256 HZ3 LYS 34 HZ3 LYS 34 2.177 10.436 11.532 257 H ARG 35 HN ARG 35 5.110 5.126 11.966 258 HA ARG 35 HA ARG 35 7.750 5.921 11.339 259 HB2 ARG 35 HB2 ARG 35 7.022 4.804 13.450 260 HB3 ARG 35 HB3 ARG 35 6.860 3.304 12.546 261 HG2 ARG 35 HG2 ARG 35 8.970 3.425 13.779 262 HG3 ARG 35 HG3 ARG 35 9.223 3.313 12.036 263 HD2 ARG 35 HD2 ARG 35 9.035 6.060 12.995 264 HD3 ARG 35 HD3 ARG 35 10.366 5.163 13.723 265 HE ARG 35 HE ARG 35 10.188 4.912 10.857 266 HH11 ARG 35 HH11 ARG 35 11.503 6.759 13.512 267 HH12 ARG 35 HH12 ARG 35 12.809 7.407 12.577 268 HH21 ARG 35 HH21 ARG 35 11.904 5.766 9.627 269 HH22 ARG 35 HH22 ARG 35 13.036 6.844 10.373 270 H ILE 36 HN ILE 36 5.616 3.628 9.859 271 HA ILE 36 HA ILE 36 7.715 2.215 8.529 272 HB ILE 36 HB ILE 36 5.704 1.016 9.174 273 HG12 ILE 36 HG12 ILE 36 5.410 -0.257 7.195 274 HG13 ILE 36 HG13 ILE 36 5.719 1.132 6.160 275 HG21 ILE 36 HG21 ILE 36 3.630 1.415 7.727 276 HG22 ILE 36 HG22 ILE 36 3.949 2.510 9.072 277 HG23 ILE 36 HG23 ILE 36 4.332 3.007 7.423 278 HD11 ILE 36 HD11 ILE 36 8.052 1.096 6.783 279 HD12 ILE 36 HD12 ILE 36 7.752 -0.232 7.903 280 HD13 ILE 36 HD13 ILE 36 7.551 -0.478 6.169 281 H ALA 37 HN ALA 37 5.990 5.099 8.002 282 HA ALA 37 HA ALA 37 5.822 5.129 5.183 283 HB1 ALA 37 HB1 ALA 37 6.047 7.755 5.811 284 HB2 ALA 37 HB2 ALA 37 4.554 6.824 5.932 285 HB3 ALA 37 HB3 ALA 37 5.553 7.078 7.363 286 HA PRO 38 HA PRO 38 10.061 7.715 5.562 287 HB2 PRO 38 HB2 PRO 38 11.145 6.076 7.806 288 HB3 PRO 38 HB3 PRO 38 11.398 7.786 7.434 289 HG2 PRO 38 HG2 PRO 38 9.764 7.055 9.402 290 HG3 PRO 38 HG3 PRO 38 9.363 8.421 8.346 291 HD2 PRO 38 HD2 PRO 38 8.244 5.661 8.376 292 HD3 PRO 38 HD3 PRO 38 7.444 7.197 8.006 293 H PHE 39 HN PHE 39 10.108 4.269 6.586 294 HA PHE 39 HA PHE 39 12.330 3.647 4.902 295 HB2 PHE 39 HB2 PHE 39 11.826 2.241 6.827 296 HB3 PHE 39 HB3 PHE 39 10.264 1.807 6.130 297 HD1 PHE 39 HD1 PHE 39 13.922 1.598 5.540 298 HD2 PHE 39 HD2 PHE 39 10.076 0.005 4.656 299 HE1 PHE 39 HE1 PHE 39 14.973 -0.253 4.305 300 HE2 PHE 39 HE2 PHE 39 11.119 -1.846 3.430 301 HZ PHE 39 HZ PHE 39 13.563 -1.972 3.243 302 H TYR 40 HN TYR 40 8.862 3.508 4.640 303 HA TYR 40 HA TYR 40 8.639 2.109 2.223 304 HB2 TYR 40 HB2 TYR 40 6.848 2.994 3.977 305 HB3 TYR 40 HB3 TYR 40 6.770 4.364 2.854 306 HD1 TYR 40 HD2 TYR 40 7.451 1.090 1.397 307 HD2 TYR 40 HD1 TYR 40 4.382 3.791 2.580 308 HE1 TYR 40 HE2 TYR 40 5.836 -0.150 0.024 309 HE2 TYR 40 HE1 TYR 40 2.757 2.548 1.221 310 HH TYR 40 HH TYR 40 2.957 -0.312 0.269 311 H GLU 41 HN GLU 41 9.317 5.461 2.990 312 HA GLU 41 HA GLU 41 9.005 6.483 0.362 313 HB2 GLU 41 HB2 GLU 41 9.677 8.498 1.202 314 HB3 GLU 41 HB3 GLU 41 9.229 7.702 2.699 315 HG2 GLU 41 HG2 GLU 41 11.257 8.019 3.507 316 HG3 GLU 41 HG3 GLU 41 11.973 7.148 2.157 317 H GLU 42 HN GLU 42 11.684 4.963 2.051 318 HA GLU 42 HA GLU 42 13.673 5.579 0.104 319 HB2 GLU 42 HB2 GLU 42 13.567 3.295 2.089 320 HB3 GLU 42 HB3 GLU 42 14.993 3.813 1.199 321 HG2 GLU 42 HG2 GLU 42 14.624 6.087 2.319 322 HG3 GLU 42 HG3 GLU 42 13.549 5.218 3.413 323 H CYS 43 HN CYS 43 11.497 2.895 0.689 324 HA CYS 43 HA CYS 43 12.334 1.160 -1.349 325 HB2 CYS 43 HB2 CYS 43 9.656 1.548 0.011 326 HB3 CYS 43 HB3 CYS 43 10.080 0.145 -0.940 327 HG CYS 43 HG CYS 43 10.349 0.415 2.182 328 H SER 44 HN SER 44 10.143 3.897 -1.293 329 HA SER 44 HA SER 44 8.957 3.468 -3.819 330 HB2 SER 44 HB2 SER 44 7.970 5.593 -3.541 331 HB3 SER 44 HB3 SER 44 8.105 4.911 -1.918 332 HG SER 44 HG SER 44 10.121 6.143 -1.779 333 H LYS 45 HN LYS 45 12.040 4.915 -3.004 334 HA LYS 45 HA LYS 45 12.155 6.289 -5.559 335 HB2 LYS 45 HB2 LYS 45 14.620 6.732 -4.646 336 HB3 LYS 45 HB3 LYS 45 13.230 7.686 -4.164 337 HG2 LYS 45 HG2 LYS 45 13.072 6.571 -2.081 338 HG3 LYS 45 HG3 LYS 45 14.226 5.336 -2.583 339 HD2 LYS 45 HD2 LYS 45 15.402 7.934 -2.867 340 HD3 LYS 45 HD3 LYS 45 14.752 7.747 -1.237 341 HE2 LYS 45 HE2 LYS 45 15.948 5.378 -1.470 342 HE3 LYS 45 HE3 LYS 45 16.956 6.294 -2.589 343 HZ1 LYS 45 HZ1 LYS 45 16.392 7.376 0.088 344 HZ2 LYS 45 HZ2 LYS 45 17.719 7.659 -0.922 345 HZ3 LYS 45 HZ3 LYS 45 17.582 6.187 -0.099 346 H THR 46 HN THR 46 13.304 3.268 -4.301 347 HA THR 46 HA THR 46 15.128 2.939 -6.579 348 HB THR 46 HB THR 46 14.848 1.625 -3.912 349 HG1 THR 46 HG1 THR 46 16.988 2.523 -5.557 350 HG21 THR 46 HG21 THR 46 15.636 0.197 -6.413 351 HG22 THR 46 HG22 THR 46 16.516 -0.147 -4.923 352 HG23 THR 46 HG23 THR 46 14.772 -0.401 -4.996 353 H TYR 47 HN TYR 47 12.170 1.898 -5.217 354 HA TYR 47 HA TYR 47 11.766 -0.288 -7.037 355 HB2 TYR 47 HB2 TYR 47 9.954 0.818 -4.895 356 HB3 TYR 47 HB3 TYR 47 9.660 -0.641 -5.822 357 HD1 TYR 47 HD1 TYR 47 12.402 -1.827 -5.833 358 HD2 TYR 47 HD2 TYR 47 10.180 0.032 -2.760 359 HE1 TYR 47 HE1 TYR 47 13.669 -3.120 -4.164 360 HE2 TYR 47 HE2 TYR 47 11.428 -1.233 -1.043 361 HH TYR 47 HH TYR 47 12.738 -3.286 -0.885 362 H THR 48 HN THR 48 11.764 2.699 -7.847 363 HA THR 48 HA THR 48 9.268 3.637 -8.426 364 HB THR 48 HB THR 48 10.256 4.989 -10.190 365 HG1 THR 48 HG1 THR 48 12.123 4.457 -11.116 366 HG21 THR 48 HG21 THR 48 12.172 4.658 -7.881 367 HG22 THR 48 HG22 THR 48 11.947 6.100 -8.871 368 HG23 THR 48 HG23 THR 48 10.654 5.552 -7.804 369 H LYS 49 HN LYS 49 10.219 0.692 -9.598 370 HA LYS 49 HA LYS 49 8.901 0.950 -12.178 371 HB2 LYS 49 HB2 LYS 49 9.494 -1.766 -11.219 372 HB3 LYS 49 HB3 LYS 49 9.886 -1.001 -12.745 373 HG2 LYS 49 HG2 LYS 49 11.999 -1.058 -12.084 374 HG3 LYS 49 HG3 LYS 49 11.587 0.250 -10.978 375 HD2 LYS 49 HD2 LYS 49 11.296 -1.230 -9.171 376 HD3 LYS 49 HD3 LYS 49 11.209 -2.637 -10.232 377 HE2 LYS 49 HE2 LYS 49 13.700 -1.071 -10.386 378 HE3 LYS 49 HE3 LYS 49 13.418 -1.904 -8.858 379 HZ1 LYS 49 HZ1 LYS 49 14.450 -3.547 -10.009 380 HZ2 LYS 49 HZ2 LYS 49 13.905 -3.013 -11.518 381 HZ3 LYS 49 HZ3 LYS 49 12.863 -3.870 -10.498 382 H MET 50 HN MET 50 7.959 0.903 -9.124 383 HA MET 50 HA MET 50 5.380 -0.507 -9.553 384 HB2 MET 50 HB2 MET 50 7.141 -1.603 -7.981 385 HB3 MET 50 HB3 MET 50 6.806 -0.265 -6.897 386 HG2 MET 50 HG2 MET 50 4.828 -1.110 -6.273 387 HG3 MET 50 HG3 MET 50 4.480 -1.757 -7.864 388 HE1 MET 50 HE1 MET 50 5.801 -3.689 -8.892 389 HE2 MET 50 HE2 MET 50 6.484 -5.029 -7.977 390 HE3 MET 50 HE3 MET 50 7.407 -3.545 -8.185 391 H VAL 51 HN VAL 51 3.633 0.485 -8.614 392 HA VAL 51 HA VAL 51 4.005 3.341 -8.183 393 HB VAL 51 HB VAL 51 2.061 1.794 -9.504 394 HG11 VAL 51 HG11 VAL 51 0.675 3.427 -7.417 395 HG12 VAL 51 HG12 VAL 51 -0.004 2.257 -8.546 396 HG13 VAL 51 HG13 VAL 51 0.990 1.710 -7.202 397 HG21 VAL 51 HG21 VAL 51 1.158 3.975 -10.138 398 HG22 VAL 51 HG22 VAL 51 2.138 4.733 -8.881 399 HG23 VAL 51 HG23 VAL 51 2.918 3.923 -10.242 400 H PHE 52 HN PHE 52 3.859 4.289 -6.249 401 HA PHE 52 HA PHE 52 3.008 2.615 -3.993 402 HB2 PHE 52 HB2 PHE 52 5.023 4.820 -4.250 403 HB3 PHE 52 HB3 PHE 52 4.386 4.372 -2.677 404 HD1 PHE 52 HD1 PHE 52 5.912 2.895 -5.686 405 HD2 PHE 52 HD2 PHE 52 5.470 2.685 -1.476 406 HE1 PHE 52 HE1 PHE 52 7.560 1.069 -5.625 407 HE2 PHE 52 HE2 PHE 52 7.119 0.854 -1.389 408 HZ PHE 52 HZ PHE 52 8.166 0.043 -3.474 409 H ILE 53 HN ILE 53 1.116 3.051 -3.129 410 HA ILE 53 HA ILE 53 0.359 5.882 -2.757 411 HB ILE 53 HB ILE 53 -1.965 5.471 -3.336 412 HG12 ILE 53 HG12 ILE 53 -1.565 2.994 -4.808 413 HG13 ILE 53 HG13 ILE 53 -1.326 2.781 -3.077 414 HG21 ILE 53 HG21 ILE 53 -0.987 4.550 -5.855 415 HG22 ILE 53 HG22 ILE 53 -1.456 6.179 -5.371 416 HG23 ILE 53 HG23 ILE 53 0.202 5.630 -5.129 417 HD11 ILE 53 HD11 ILE 53 -3.593 2.314 -3.523 418 HD12 ILE 53 HD12 ILE 53 -3.557 3.905 -2.763 419 HD13 ILE 53 HD13 ILE 53 -3.773 3.766 -4.509 420 H LYS 54 HN LYS 54 -1.401 6.164 -1.213 421 HA LYS 54 HA LYS 54 -1.353 4.139 0.926 422 HB2 LYS 54 HB2 LYS 54 -0.319 6.807 0.932 423 HB3 LYS 54 HB3 LYS 54 -1.745 6.793 1.953 424 HG2 LYS 54 HG2 LYS 54 0.388 6.396 3.109 425 HG3 LYS 54 HG3 LYS 54 -0.817 5.139 3.352 426 HD2 LYS 54 HD2 LYS 54 0.314 3.694 1.801 427 HD3 LYS 54 HD3 LYS 54 1.438 4.984 1.362 428 HE2 LYS 54 HE2 LYS 54 1.178 3.704 4.082 429 HE3 LYS 54 HE3 LYS 54 2.466 3.404 2.922 430 HZ1 LYS 54 HZ1 LYS 54 3.556 5.081 3.843 431 HZ2 LYS 54 HZ2 LYS 54 2.239 5.482 4.826 432 HZ3 LYS 54 HZ3 LYS 54 2.368 6.144 3.275 433 H VAL 55 HN VAL 55 -3.348 3.707 1.841 434 HA VAL 55 HA VAL 55 -5.559 5.511 1.192 435 HB VAL 55 HB VAL 55 -5.536 2.545 0.648 436 HG11 VAL 55 HG11 VAL 55 -7.890 4.427 0.677 437 HG12 VAL 55 HG12 VAL 55 -7.909 2.831 -0.078 438 HG13 VAL 55 HG13 VAL 55 -7.661 2.983 1.664 439 HG21 VAL 55 HG21 VAL 55 -5.336 3.045 -1.509 440 HG22 VAL 55 HG22 VAL 55 -6.543 4.326 -1.413 441 HG23 VAL 55 HG23 VAL 55 -4.869 4.656 -0.973 442 H ASP 56 HN ASP 56 -6.472 6.098 2.985 443 HA ASP 56 HA ASP 56 -6.171 4.630 5.438 444 HB2 ASP 56 HB2 ASP 56 -6.046 6.966 5.730 445 HB3 ASP 56 HB3 ASP 56 -7.390 7.259 4.643 446 H VAL 57 HN VAL 57 -7.855 3.797 6.720 447 HA VAL 57 HA VAL 57 -9.981 2.606 5.172 448 HB VAL 57 HB VAL 57 -10.481 1.296 7.139 449 HG11 VAL 57 HG11 VAL 57 -7.878 0.697 7.667 450 HG12 VAL 57 HG12 VAL 57 -8.788 0.105 6.276 451 HG13 VAL 57 HG13 VAL 57 -7.747 1.520 6.112 452 HG21 VAL 57 HG21 VAL 57 -8.481 3.018 8.599 453 HG22 VAL 57 HG22 VAL 57 -10.230 3.061 8.819 454 HG23 VAL 57 HG23 VAL 57 -9.321 1.615 9.258 455 H ASP 58 HN ASP 58 -9.587 5.145 7.509 456 HA ASP 58 HA ASP 58 -12.340 5.370 8.195 457 HB2 ASP 58 HB2 ASP 58 -10.038 7.288 8.570 458 HB3 ASP 58 HB3 ASP 58 -11.648 7.528 9.240 459 H GLU 59 HN GLU 59 -10.239 6.879 5.831 460 HA GLU 59 HA GLU 59 -12.063 8.925 5.069 461 HB2 GLU 59 HB2 GLU 59 -9.450 7.921 4.164 462 HB3 GLU 59 HB3 GLU 59 -10.449 8.596 2.884 463 HG2 GLU 59 HG2 GLU 59 -9.704 10.006 5.437 464 HG3 GLU 59 HG3 GLU 59 -8.937 10.250 3.868 465 H VAL 60 HN VAL 60 -11.269 5.721 3.765 466 HA VAL 60 HA VAL 60 -13.813 5.799 2.300 467 HB VAL 60 HB VAL 60 -12.471 4.334 0.564 468 HG11 VAL 60 HG11 VAL 60 -13.664 6.568 0.280 469 HG12 VAL 60 HG12 VAL 60 -12.076 7.309 0.479 470 HG13 VAL 60 HG13 VAL 60 -12.370 6.198 -0.859 471 HG21 VAL 60 HG21 VAL 60 -10.189 5.323 0.227 472 HG22 VAL 60 HG22 VAL 60 -10.338 6.048 1.828 473 HG23 VAL 60 HG23 VAL 60 -10.346 4.293 1.650 474 H SER 61 HN SER 61 -14.498 4.558 4.196 475 HA SER 61 HA SER 61 -13.440 2.118 5.001 476 HB2 SER 61 HB2 SER 61 -15.719 3.643 5.604 477 HB3 SER 61 HB3 SER 61 -16.333 2.066 5.109 478 HG SER 61 HG SER 61 -15.872 1.619 7.129 479 H GLU 62 HN GLU 62 -15.546 2.892 2.312 480 HA GLU 62 HA GLU 62 -16.421 0.342 1.617 481 HB2 GLU 62 HB2 GLU 62 -16.781 1.242 -0.613 482 HB3 GLU 62 HB3 GLU 62 -17.276 2.393 0.611 483 HG2 GLU 62 HG2 GLU 62 -15.153 3.605 0.284 484 HG3 GLU 62 HG3 GLU 62 -14.767 2.494 -1.032 485 H VAL 63 HN VAL 63 -13.394 1.934 1.083 486 HA VAL 63 HA VAL 63 -12.295 0.189 -0.849 487 HB VAL 63 HB VAL 63 -10.961 1.921 1.241 488 HG11 VAL 63 HG11 VAL 63 -9.812 -0.127 -0.468 489 HG12 VAL 63 HG12 VAL 63 -9.075 1.456 -0.710 490 HG13 VAL 63 HG13 VAL 63 -9.107 0.737 0.899 491 HG21 VAL 63 HG21 VAL 63 -12.279 2.918 -0.725 492 HG22 VAL 63 HG22 VAL 63 -10.648 3.513 -0.428 493 HG23 VAL 63 HG23 VAL 63 -10.939 2.359 -1.730 494 H THR 64 HN THR 64 -12.236 0.237 2.664 495 HA THR 64 HA THR 64 -10.541 -1.919 3.146 496 HB THR 64 HB THR 64 -12.906 -0.901 4.734 497 HG1 THR 64 HG1 THR 64 -10.106 -0.392 4.858 498 HG21 THR 64 HG21 THR 64 -10.631 -2.517 5.858 499 HG22 THR 64 HG22 THR 64 -12.177 -2.124 6.607 500 HG23 THR 64 HG23 THR 64 -12.111 -3.283 5.281 501 H GLU 65 HN GLU 65 -14.054 -1.823 2.682 502 HA GLU 65 HA GLU 65 -14.445 -4.614 3.074 503 HB2 GLU 65 HB2 GLU 65 -16.142 -2.620 3.168 504 HB3 GLU 65 HB3 GLU 65 -16.324 -2.944 1.449 505 HG2 GLU 65 HG2 GLU 65 -17.195 -5.076 1.821 506 HG3 GLU 65 HG3 GLU 65 -16.611 -5.121 3.484 507 H LYS 66 HN LYS 66 -13.874 -2.607 0.239 508 HA LYS 66 HA LYS 66 -14.553 -4.426 -1.756 509 HB2 LYS 66 HB2 LYS 66 -12.442 -2.268 -1.746 510 HB3 LYS 66 HB3 LYS 66 -12.964 -3.129 -3.188 511 HG2 LYS 66 HG2 LYS 66 -15.151 -1.959 -1.639 512 HG3 LYS 66 HG3 LYS 66 -14.008 -0.783 -2.292 513 HD2 LYS 66 HD2 LYS 66 -14.275 -2.068 -4.505 514 HD3 LYS 66 HD3 LYS 66 -15.711 -2.771 -3.759 515 HE2 LYS 66 HE2 LYS 66 -16.608 -0.520 -3.386 516 HE3 LYS 66 HE3 LYS 66 -15.175 0.173 -4.145 517 HZ1 LYS 66 HZ1 LYS 66 -16.512 -1.800 -5.763 518 HZ2 LYS 66 HZ2 LYS 66 -15.962 -0.255 -6.176 519 HZ3 LYS 66 HZ3 LYS 66 -17.467 -0.444 -5.428 520 H GLU 67 HN GLU 67 -11.497 -4.049 -0.001 521 HA GLU 67 HA GLU 67 -10.344 -6.262 -1.519 522 HB2 GLU 67 HB2 GLU 67 -9.214 -4.253 0.408 523 HB3 GLU 67 HB3 GLU 67 -8.301 -5.681 -0.061 524 HG2 GLU 67 HG2 GLU 67 -9.357 -3.573 -1.934 525 HG3 GLU 67 HG3 GLU 67 -7.688 -3.734 -1.391 526 H ASN 68 HN ASN 68 -12.454 -6.340 0.815 527 HA ASN 68 HA ASN 68 -12.942 -7.694 2.588 528 HB2 ASN 68 HB2 ASN 68 -12.373 -9.321 0.633 529 HB3 ASN 68 HB3 ASN 68 -10.904 -9.646 1.550 530 HD21 ASN 68 HD21 ASN 68 -14.390 -9.841 1.560 531 HD22 ASN 68 HD22 ASN 68 -14.515 -11.020 2.817 532 H ILE 69 HN ILE 69 -11.068 -5.751 3.141 533 HA ILE 69 HA ILE 69 -8.731 -6.720 4.411 534 HB ILE 69 HB ILE 69 -10.220 -4.125 4.809 535 HG12 ILE 69 HG12 ILE 69 -9.341 -4.620 2.487 536 HG13 ILE 69 HG13 ILE 69 -8.711 -3.157 3.232 537 HG21 ILE 69 HG21 ILE 69 -8.894 -3.931 6.594 538 HG22 ILE 69 HG22 ILE 69 -7.817 -5.223 6.063 539 HG23 ILE 69 HG23 ILE 69 -7.628 -3.594 5.412 540 HD11 ILE 69 HD11 ILE 69 -7.282 -5.800 3.131 541 HD12 ILE 69 HD12 ILE 69 -6.988 -4.430 2.059 542 HD13 ILE 69 HD13 ILE 69 -6.652 -4.288 3.785 543 H THR 70 HN THR 70 -8.465 -7.672 6.329 544 HA THR 70 HA THR 70 -10.724 -7.616 8.207 545 HB THR 70 HB THR 70 -9.809 -9.720 9.105 546 HG1 THR 70 HG1 THR 70 -7.944 -10.485 8.419 547 HG21 THR 70 HG21 THR 70 -11.144 -10.778 7.668 548 HG22 THR 70 HG22 THR 70 -11.152 -9.321 6.674 549 HG23 THR 70 HG23 THR 70 -9.964 -10.589 6.372 550 H SER 71 HN SER 71 -7.181 -7.338 8.036 551 HA SER 71 HA SER 71 -7.273 -6.025 10.668 552 HB2 SER 71 HB2 SER 71 -6.288 -8.596 10.309 553 HB3 SER 71 HB3 SER 71 -4.842 -7.588 10.356 554 HG SER 71 HG SER 71 -6.910 -7.716 12.294 555 H MET 72 HN MET 72 -5.823 -4.416 11.052 556 HA MET 72 HA MET 72 -4.088 -3.580 8.810 557 HB2 MET 72 HB2 MET 72 -5.078 -1.568 8.851 558 HB3 MET 72 HB3 MET 72 -6.233 -2.210 10.003 559 HG2 MET 72 HG2 MET 72 -3.645 -1.160 11.031 560 HG3 MET 72 HG3 MET 72 -4.885 -0.029 10.503 561 HE1 MET 72 HE1 MET 72 -7.074 0.532 11.917 562 HE2 MET 72 HE2 MET 72 -7.849 -0.743 12.857 563 HE3 MET 72 HE3 MET 72 -7.526 -0.985 11.140 564 HA PRO 73 HA PRO 73 -2.713 -1.609 8.686 565 HB2 PRO 73 HB2 PRO 73 -0.079 -1.489 8.165 566 HB3 PRO 73 HB3 PRO 73 -0.810 -0.467 9.412 567 HG2 PRO 73 HG2 PRO 73 0.672 -3.053 9.715 568 HG3 PRO 73 HG3 PRO 73 0.849 -1.553 10.644 569 HD2 PRO 73 HD2 PRO 73 -0.596 -3.673 11.534 570 HD3 PRO 73 HD3 PRO 73 -1.002 -1.994 11.944 571 H THR 74 HN THR 74 -2.795 -2.318 6.583 572 HA THR 74 HA THR 74 -1.608 -4.959 6.030 573 HB THR 74 HB THR 74 -3.891 -4.286 4.336 574 HG1 THR 74 HG1 THR 74 -5.160 -5.075 6.435 575 HG21 THR 74 HG21 THR 74 -2.862 -6.486 4.349 576 HG22 THR 74 HG22 THR 74 -3.185 -6.654 6.075 577 HG23 THR 74 HG23 THR 74 -4.524 -6.602 4.930 578 H PHE 75 HN PHE 75 -0.240 -5.058 4.393 579 HA PHE 75 HA PHE 75 -0.177 -2.870 2.410 580 HB2 PHE 75 HB2 PHE 75 2.054 -4.660 3.383 581 HB3 PHE 75 HB3 PHE 75 2.199 -3.596 1.999 582 HD1 PHE 75 HD1 PHE 75 0.191 -1.861 4.233 583 HD2 PHE 75 HD2 PHE 75 4.235 -3.088 3.695 584 HE1 PHE 75 HE1 PHE 75 0.943 -0.049 5.718 585 HE2 PHE 75 HE2 PHE 75 4.983 -1.282 5.190 586 HZ PHE 75 HZ PHE 75 3.340 0.239 6.194 587 H LYS 76 HN LYS 76 -1.008 -3.441 0.517 588 HA LYS 76 HA LYS 76 -0.700 -6.243 -0.328 589 HB2 LYS 76 HB2 LYS 76 -3.057 -4.535 -0.223 590 HB3 LYS 76 HB3 LYS 76 -2.826 -5.266 -1.800 591 HG2 LYS 76 HG2 LYS 76 -4.248 -6.643 -0.447 592 HG3 LYS 76 HG3 LYS 76 -2.706 -7.463 -0.712 593 HD2 LYS 76 HD2 LYS 76 -2.786 -7.756 1.524 594 HD3 LYS 76 HD3 LYS 76 -2.144 -6.119 1.539 595 HE2 LYS 76 HE2 LYS 76 -3.933 -5.492 2.735 596 HE3 LYS 76 HE3 LYS 76 -4.924 -5.841 1.319 597 HZ1 LYS 76 HZ1 LYS 76 -5.269 -8.065 2.088 598 HZ2 LYS 76 HZ2 LYS 76 -5.660 -7.005 3.346 599 HZ3 LYS 76 HZ3 LYS 76 -4.196 -7.850 3.378 600 H VAL 77 HN VAL 77 -0.138 -6.694 -2.349 601 HA VAL 77 HA VAL 77 0.663 -4.427 -4.053 602 HB VAL 77 HB VAL 77 1.790 -7.238 -4.006 603 HG11 VAL 77 HG11 VAL 77 1.639 -6.184 -6.286 604 HG12 VAL 77 HG12 VAL 77 2.699 -4.903 -5.689 605 HG13 VAL 77 HG13 VAL 77 3.277 -6.570 -5.758 606 HG21 VAL 77 HG21 VAL 77 3.699 -6.381 -3.015 607 HG22 VAL 77 HG22 VAL 77 3.329 -4.728 -3.506 608 HG23 VAL 77 HG23 VAL 77 2.414 -5.487 -2.203 609 H TYR 78 HN TYR 78 -0.299 -4.260 -5.994 610 HA TYR 78 HA TYR 78 -2.063 -6.473 -6.767 611 HB2 TYR 78 HB2 TYR 78 -2.447 -3.513 -7.131 612 HB3 TYR 78 HB3 TYR 78 -3.522 -4.731 -7.770 613 HD1 TYR 78 HD2 TYR 78 -2.329 -3.052 -4.743 614 HD2 TYR 78 HD1 TYR 78 -5.052 -5.927 -6.294 615 HE1 TYR 78 HE2 TYR 78 -3.560 -3.029 -2.615 616 HE2 TYR 78 HE1 TYR 78 -6.290 -5.910 -4.175 617 HH TYR 78 HH TYR 78 -5.176 -4.906 -1.403 618 H LYS 79 HN LYS 79 -1.802 -7.368 -8.682 619 HA LYS 79 HA LYS 79 -0.153 -5.980 -10.693 620 HB2 LYS 79 HB2 LYS 79 0.421 -8.353 -9.431 621 HB3 LYS 79 HB3 LYS 79 -0.368 -8.906 -10.898 622 HG2 LYS 79 HG2 LYS 79 1.342 -7.045 -11.881 623 HG3 LYS 79 HG3 LYS 79 2.253 -7.677 -10.510 624 HD2 LYS 79 HD2 LYS 79 2.004 -9.941 -11.354 625 HD3 LYS 79 HD3 LYS 79 1.014 -9.353 -12.692 626 HE2 LYS 79 HE2 LYS 79 2.801 -8.708 -13.880 627 HE3 LYS 79 HE3 LYS 79 3.601 -8.012 -12.470 628 HZ1 LYS 79 HZ1 LYS 79 4.995 -9.725 -12.718 629 HZ2 LYS 79 HZ2 LYS 79 3.919 -10.617 -13.669 630 HZ3 LYS 79 HZ3 LYS 79 3.784 -10.651 -11.984 631 H ASN 80 HN ASN 80 -1.021 -5.653 -12.605 632 HA ASN 80 HA ASN 80 -2.541 -5.555 -14.289 633 HB2 ASN 80 HB2 ASN 80 -2.796 -8.423 -13.421 634 HB3 ASN 80 HB3 ASN 80 -3.818 -7.774 -14.699 635 HD21 ASN 80 HD21 ASN 80 -0.750 -9.003 -13.890 636 HD22 ASN 80 HD22 ASN 80 -0.001 -8.790 -15.432 637 H GLY 81 HN GLY 81 -3.318 -4.618 -11.696 638 HA2 GLY 81 HA2 GLY 81 -5.208 -3.663 -10.814 639 HA3 GLY 81 HA3 GLY 81 -6.111 -4.322 -12.165 640 H SER 82 HN SER 82 -4.233 -6.255 -9.849 641 HA SER 82 HA SER 82 -6.602 -6.927 -8.364 642 HB2 SER 82 HB2 SER 82 -6.594 -8.340 -10.545 643 HB3 SER 82 HB3 SER 82 -5.291 -9.242 -9.772 644 HG SER 82 HG SER 82 -7.489 -10.048 -9.422 645 H SER 83 HN SER 83 -6.040 -8.927 -6.868 646 HA SER 83 HA SER 83 -3.860 -8.038 -5.301 647 HB2 SER 83 HB2 SER 83 -4.425 -10.384 -4.146 648 HB3 SER 83 HB3 SER 83 -5.423 -8.950 -3.921 649 HG SER 83 HG SER 83 -6.678 -10.767 -4.497 650 H VAL 84 HN VAL 84 -1.928 -9.068 -4.756 651 HA VAL 84 HA VAL 84 -1.115 -11.373 -6.332 652 HB VAL 84 HB VAL 84 -0.556 -9.040 -7.421 653 HG11 VAL 84 HG11 VAL 84 1.494 -8.078 -6.876 654 HG12 VAL 84 HG12 VAL 84 0.656 -8.297 -5.344 655 HG13 VAL 84 HG13 VAL 84 1.937 -9.413 -5.810 656 HG21 VAL 84 HG21 VAL 84 0.823 -11.629 -7.389 657 HG22 VAL 84 HG22 VAL 84 0.188 -10.696 -8.744 658 HG23 VAL 84 HG23 VAL 84 1.762 -10.294 -8.057 659 H ASP 85 HN ASP 85 -0.293 -9.077 -3.743 660 HA ASP 85 HA ASP 85 0.847 -11.281 -2.222 661 HB2 ASP 85 HB2 ASP 85 2.649 -9.927 -3.564 662 HB3 ASP 85 HB3 ASP 85 2.412 -8.729 -2.299 663 H THR 86 HN THR 86 0.889 -10.896 0.058 664 HA THR 86 HA THR 86 -0.406 -8.421 0.924 665 HB THR 86 HB THR 86 -1.763 -9.825 2.537 666 HG1 THR 86 HG1 THR 86 -1.051 -11.880 0.697 667 HG21 THR 86 HG21 THR 86 -3.505 -9.600 1.132 668 HG22 THR 86 HG22 THR 86 -2.319 -8.936 0.010 669 HG23 THR 86 HG23 THR 86 -2.768 -10.640 -0.087 670 H LEU 87 HN LEU 87 0.373 -7.576 2.782 671 HA LEU 87 HA LEU 87 2.167 -9.257 4.395 672 HB2 LEU 87 HB2 LEU 87 3.857 -8.000 3.679 673 HB3 LEU 87 HB3 LEU 87 2.774 -6.916 2.845 674 HG LEU 87 HG LEU 87 2.497 -5.634 4.956 675 HD11 LEU 87 HD11 LEU 87 4.185 -7.818 5.969 676 HD12 LEU 87 HD12 LEU 87 4.594 -6.192 6.515 677 HD13 LEU 87 HD13 LEU 87 2.975 -6.833 6.790 678 HD21 LEU 87 HD21 LEU 87 4.100 -4.978 3.236 679 HD22 LEU 87 HD22 LEU 87 4.677 -4.574 4.854 680 HD23 LEU 87 HD23 LEU 87 5.331 -5.976 4.008 681 H LEU 88 HN LEU 88 1.625 -9.340 6.466 682 HA LEU 88 HA LEU 88 -0.393 -7.498 7.490 683 HB2 LEU 88 HB2 LEU 88 0.416 -10.237 8.045 684 HB3 LEU 88 HB3 LEU 88 0.237 -9.299 9.515 685 HG LEU 88 HG LEU 88 -1.893 -9.604 7.398 686 HD11 LEU 88 HD11 LEU 88 -2.935 -10.817 9.514 687 HD12 LEU 88 HD12 LEU 88 -1.955 -11.677 8.326 688 HD13 LEU 88 HD13 LEU 88 -1.233 -11.142 9.844 689 HD21 LEU 88 HD21 LEU 88 -3.224 -8.771 9.526 690 HD22 LEU 88 HD22 LEU 88 -1.668 -8.034 9.910 691 HD23 LEU 88 HD23 LEU 88 -2.482 -7.639 8.395 692 H GLY 89 HN GLY 89 -0.077 -6.055 9.126 693 HA2 GLY 89 HA2 GLY 89 1.061 -4.736 10.639 694 HA3 GLY 89 HA3 GLY 89 2.185 -6.075 10.854 695 H ALA 90 HN ALA 90 2.480 -3.021 10.369 696 HA ALA 90 HA ALA 90 3.943 -3.033 7.862 697 HB1 ALA 90 HB1 ALA 90 4.439 -0.601 8.805 698 HB2 ALA 90 HB2 ALA 90 2.936 -1.024 7.985 699 HB3 ALA 90 HB3 ALA 90 2.995 -0.977 9.746 700 H ASN 91 HN ASN 91 5.850 -3.927 7.872 701 HA ASN 91 HA ASN 91 7.765 -3.173 9.972 702 HB2 ASN 91 HB2 ASN 91 7.280 -5.837 8.668 703 HB3 ASN 91 HB3 ASN 91 8.875 -5.438 9.296 704 HD21 ASN 91 HD21 ASN 91 6.825 -7.429 10.111 705 HD22 ASN 91 HD22 ASN 91 6.569 -7.132 11.815 706 H ASP 92 HN ASP 92 9.677 -2.295 9.213 707 HA ASP 92 HA ASP 92 9.774 -1.451 6.513 708 HB2 ASP 92 HB2 ASP 92 12.049 -1.617 8.510 709 HB3 ASP 92 HB3 ASP 92 12.017 -0.635 7.050 710 H SER 93 HN SER 93 11.420 -4.024 8.295 711 HA SER 93 HA SER 93 12.994 -4.961 6.128 712 HB2 SER 93 HB2 SER 93 12.262 -6.688 8.455 713 HB3 SER 93 HB3 SER 93 13.788 -6.560 7.587 714 HG SER 93 HG SER 93 13.173 -5.380 9.821 715 H ALA 94 HN ALA 94 9.852 -5.926 7.413 716 HA ALA 94 HA ALA 94 9.675 -8.323 5.880 717 HB1 ALA 94 HB1 ALA 94 8.330 -7.573 7.997 718 HB2 ALA 94 HB2 ALA 94 7.235 -6.876 6.803 719 HB3 ALA 94 HB3 ALA 94 7.576 -8.605 6.782 720 H LEU 95 HN LEU 95 8.485 -5.051 5.486 721 HA LEU 95 HA LEU 95 7.159 -5.558 3.034 722 HB2 LEU 95 HB2 LEU 95 6.434 -3.601 4.002 723 HB3 LEU 95 HB3 LEU 95 8.043 -3.147 4.535 724 HG LEU 95 HG LEU 95 8.328 -3.051 1.828 725 HD11 LEU 95 HD11 LEU 95 6.381 -1.868 0.950 726 HD12 LEU 95 HD12 LEU 95 6.048 -3.542 1.407 727 HD13 LEU 95 HD13 LEU 95 5.523 -2.216 2.453 728 HD21 LEU 95 HD21 LEU 95 8.821 -0.898 2.177 729 HD22 LEU 95 HD22 LEU 95 7.309 -0.582 3.048 730 HD23 LEU 95 HD23 LEU 95 8.658 -1.366 3.882 731 H LYS 96 HN LYS 96 10.428 -4.711 3.998 732 HA LYS 96 HA LYS 96 11.441 -3.854 1.558 733 HB2 LYS 96 HB2 LYS 96 12.757 -3.757 3.618 734 HB3 LYS 96 HB3 LYS 96 12.793 -5.512 3.705 735 HG2 LYS 96 HG2 LYS 96 14.904 -4.657 2.895 736 HG3 LYS 96 HG3 LYS 96 14.093 -5.587 1.634 737 HD2 LYS 96 HD2 LYS 96 14.260 -3.840 0.271 738 HD3 LYS 96 HD3 LYS 96 13.234 -2.909 1.364 739 HE2 LYS 96 HE2 LYS 96 15.134 -1.597 1.238 740 HE3 LYS 96 HE3 LYS 96 15.427 -2.539 2.699 741 HZ1 LYS 96 HZ1 LYS 96 16.654 -4.129 1.151 742 HZ2 LYS 96 HZ2 LYS 96 17.411 -2.663 1.522 743 HZ3 LYS 96 HZ3 LYS 96 16.644 -2.863 0.028 744 H GLN 97 HN GLN 97 11.003 -7.072 2.896 745 HA GLN 97 HA GLN 97 12.049 -8.460 0.639 746 HB2 GLN 97 HB2 GLN 97 10.561 -9.224 3.112 747 HB3 GLN 97 HB3 GLN 97 10.663 -10.382 1.793 748 HG2 GLN 97 HG2 GLN 97 12.875 -10.747 2.095 749 HG3 GLN 97 HG3 GLN 97 13.187 -9.099 2.638 750 HE21 GLN 97 HE21 GLN 97 13.955 -9.116 4.617 751 HE22 GLN 97 HE22 GLN 97 13.404 -10.109 5.919 752 H LEU 98 HN LEU 98 8.730 -7.575 1.678 753 HA LEU 98 HA LEU 98 7.432 -9.079 -0.329 754 HB2 LEU 98 HB2 LEU 98 6.036 -8.566 1.405 755 HB3 LEU 98 HB3 LEU 98 6.704 -6.960 1.616 756 HG LEU 98 HG LEU 98 5.231 -7.360 -0.883 757 HD11 LEU 98 HD11 LEU 98 3.174 -6.817 0.891 758 HD12 LEU 98 HD12 LEU 98 3.427 -8.319 0.002 759 HD13 LEU 98 HD13 LEU 98 4.056 -8.147 1.641 760 HD21 LEU 98 HD21 LEU 98 6.209 -5.227 0.376 761 HD22 LEU 98 HD22 LEU 98 4.799 -5.146 -0.680 762 HD23 LEU 98 HD23 LEU 98 4.587 -5.237 1.068 763 H ILE 99 HN ILE 99 8.241 -5.639 -0.116 764 HA ILE 99 HA ILE 99 7.206 -4.955 -2.655 765 HB ILE 99 HB ILE 99 7.733 -3.559 -0.477 766 HG12 ILE 99 HG12 ILE 99 6.460 -2.850 -2.455 767 HG13 ILE 99 HG13 ILE 99 7.447 -1.554 -1.782 768 HG21 ILE 99 HG21 ILE 99 10.237 -3.239 -2.088 769 HG22 ILE 99 HG22 ILE 99 9.656 -2.005 -0.967 770 HG23 ILE 99 HG23 ILE 99 10.068 -3.613 -0.371 771 HD11 ILE 99 HD11 ILE 99 8.667 -1.379 -3.640 772 HD12 ILE 99 HD12 ILE 99 8.779 -3.118 -3.834 773 HD13 ILE 99 HD13 ILE 99 7.348 -2.265 -4.402 774 H GLU 100 HN GLU 100 10.313 -6.022 -1.514 775 HA GLU 100 HA GLU 100 11.836 -5.373 -3.791 776 HB2 GLU 100 HB2 GLU 100 12.155 -7.048 -1.397 777 HB3 GLU 100 HB3 GLU 100 13.112 -7.546 -2.784 778 HG2 GLU 100 HG2 GLU 100 13.583 -4.886 -2.781 779 HG3 GLU 100 HG3 GLU 100 13.380 -5.189 -1.060 780 H LYS 101 HN LYS 101 9.786 -8.084 -3.025 781 HA LYS 101 HA LYS 101 10.747 -9.954 -4.833 782 HB2 LYS 101 HB2 LYS 101 8.488 -9.603 -3.122 783 HB3 LYS 101 HB3 LYS 101 7.944 -10.262 -4.654 784 HG2 LYS 101 HG2 LYS 101 9.760 -12.015 -4.375 785 HG3 LYS 101 HG3 LYS 101 9.896 -11.443 -2.710 786 HD2 LYS 101 HD2 LYS 101 7.159 -11.780 -3.145 787 HD3 LYS 101 HD3 LYS 101 7.919 -13.182 -3.899 788 HE2 LYS 101 HE2 LYS 101 9.045 -13.740 -1.853 789 HE3 LYS 101 HE3 LYS 101 8.500 -12.244 -1.095 790 HZ1 LYS 101 HZ1 LYS 101 6.424 -14.002 -2.131 791 HZ2 LYS 101 HZ2 LYS 101 6.453 -13.077 -0.716 792 HZ3 LYS 101 HZ3 LYS 101 7.263 -14.561 -0.772 793 H TYR 102 HN TYR 102 8.139 -7.604 -5.290 794 HA TYR 102 HA TYR 102 8.013 -8.381 -8.103 795 HB2 TYR 102 HB2 TYR 102 6.151 -6.450 -6.744 796 HB3 TYR 102 HB3 TYR 102 5.865 -7.433 -8.179 797 HD1 TYR 102 HD2 TYR 102 5.456 -9.846 -7.969 798 HD2 TYR 102 HD1 TYR 102 5.855 -7.344 -4.554 799 HE1 TYR 102 HE2 TYR 102 4.492 -11.617 -6.571 800 HE2 TYR 102 HE1 TYR 102 4.893 -9.114 -3.141 801 HH TYR 102 HH TYR 102 4.755 -12.166 -3.863 802 H ALA 103 HN ALA 103 8.798 -5.778 -5.970 803 HA ALA 103 HA ALA 103 9.227 -3.970 -8.233 804 HB1 ALA 103 HB1 ALA 103 8.818 -2.319 -6.806 805 HB2 ALA 103 HB2 ALA 103 8.295 -3.578 -5.687 806 HB3 ALA 103 HB3 ALA 103 9.947 -2.958 -5.608 807 H ALA 104 HN ALA 104 11.021 -5.609 -5.686 808 HA ALA 104 HA ALA 104 13.274 -5.901 -5.327 809 HB1 ALA 104 HB1 ALA 104 14.561 -6.104 -7.598 810 HB2 ALA 104 HB2 ALA 104 13.402 -7.329 -7.085 811 HB3 ALA 104 HB3 ALA 104 12.927 -6.104 -8.261 Start of MODEL 10 1 HA SER 1 HA SER 1 6.910 10.564 -1.326 2 HB2 SER 1 HB2 SER 1 7.140 11.147 -4.219 3 HB3 SER 1 HB3 SER 1 5.578 11.530 -3.492 4 HG SER 1 HG SER 1 6.614 12.868 -2.032 5 H VAL 2 HN VAL 2 5.493 9.179 -0.392 6 HA VAL 2 HA VAL 2 3.973 7.261 -1.866 7 HB VAL 2 HB VAL 2 3.448 8.273 0.947 8 HG11 VAL 2 HG11 VAL 2 2.847 5.520 -0.026 9 HG12 VAL 2 HG12 VAL 2 2.069 6.460 1.247 10 HG13 VAL 2 HG13 VAL 2 1.748 6.834 -0.447 11 HG21 VAL 2 HG21 VAL 2 4.881 5.728 0.474 12 HG22 VAL 2 HG22 VAL 2 5.788 7.218 0.212 13 HG23 VAL 2 HG23 VAL 2 5.046 6.901 1.780 14 H LYS 3 HN LYS 3 1.859 7.378 -2.571 15 HA LYS 3 HA LYS 3 0.781 10.094 -2.755 16 HB2 LYS 3 HB2 LYS 3 1.003 7.979 -4.586 17 HB3 LYS 3 HB3 LYS 3 -0.718 8.167 -4.270 18 HG2 LYS 3 HG2 LYS 3 -0.048 10.717 -4.546 19 HG3 LYS 3 HG3 LYS 3 1.185 9.998 -5.564 20 HD2 LYS 3 HD2 LYS 3 -0.354 9.180 -7.083 21 HD3 LYS 3 HD3 LYS 3 -1.660 9.155 -5.897 22 HE2 LYS 3 HE2 LYS 3 -2.368 11.068 -6.780 23 HE3 LYS 3 HE3 LYS 3 -0.941 11.831 -6.080 24 HZ1 LYS 3 HZ1 LYS 3 0.056 10.785 -8.335 25 HZ2 LYS 3 HZ2 LYS 3 -0.516 12.370 -8.198 26 HZ3 LYS 3 HZ3 LYS 3 -1.516 11.164 -8.835 27 H ILE 4 HN ILE 4 -1.172 10.705 -2.068 28 HA ILE 4 HA ILE 4 -2.747 8.686 -0.580 29 HB ILE 4 HB ILE 4 -1.699 10.291 0.961 30 HG12 ILE 4 HG12 ILE 4 -4.343 11.325 1.344 31 HG13 ILE 4 HG13 ILE 4 -4.459 9.663 0.775 32 HG21 ILE 4 HG21 ILE 4 -1.685 12.520 0.707 33 HG22 ILE 4 HG22 ILE 4 -2.034 12.144 -0.981 34 HG23 ILE 4 HG23 ILE 4 -3.347 12.564 0.118 35 HD11 ILE 4 HD11 ILE 4 -3.114 10.698 3.244 36 HD12 ILE 4 HD12 ILE 4 -4.425 9.526 3.108 37 HD13 ILE 4 HD13 ILE 4 -2.794 9.087 2.601 38 H VAL 5 HN VAL 5 -4.539 8.262 -1.750 39 HA VAL 5 HA VAL 5 -5.651 10.383 -3.394 40 HB VAL 5 HB VAL 5 -6.620 8.807 -4.663 41 HG11 VAL 5 HG11 VAL 5 -5.075 7.215 -5.189 42 HG12 VAL 5 HG12 VAL 5 -4.108 8.274 -4.162 43 HG13 VAL 5 HG13 VAL 5 -4.787 6.786 -3.503 44 HG21 VAL 5 HG21 VAL 5 -7.085 6.411 -3.604 45 HG22 VAL 5 HG22 VAL 5 -7.147 7.369 -2.126 46 HG23 VAL 5 HG23 VAL 5 -8.237 7.737 -3.461 47 H THR 6 HN THR 6 -7.718 11.210 -3.189 48 HA THR 6 HA THR 6 -8.908 10.829 -0.536 49 HB THR 6 HB THR 6 -8.336 13.109 -0.927 50 HG1 THR 6 HG1 THR 6 -11.125 12.962 -1.462 51 HG21 THR 6 HG21 THR 6 -8.144 13.755 -3.066 52 HG22 THR 6 HG22 THR 6 -9.285 12.533 -3.626 53 HG23 THR 6 HG23 THR 6 -9.878 14.070 -2.997 54 H SER 7 HN SER 7 -9.405 9.366 -3.328 55 HA SER 7 HA SER 7 -12.323 9.348 -2.942 56 HB2 SER 7 HB2 SER 7 -11.941 8.777 -5.654 57 HB3 SER 7 HB3 SER 7 -12.599 10.263 -4.970 58 HG SER 7 HG SER 7 -10.819 10.676 -6.338 59 H GLN 8 HN GLN 8 -13.390 7.396 -3.485 60 HA GLN 8 HA GLN 8 -11.863 5.060 -2.880 61 HB2 GLN 8 HB2 GLN 8 -13.930 4.631 -2.078 62 HB3 GLN 8 HB3 GLN 8 -14.702 5.747 -3.186 63 HG2 GLN 8 HG2 GLN 8 -15.627 3.701 -3.724 64 HG3 GLN 8 HG3 GLN 8 -14.387 3.919 -4.954 65 HE21 GLN 8 HE21 GLN 8 -12.161 3.268 -3.297 66 HE22 GLN 8 HE22 GLN 8 -12.229 1.595 -2.984 67 H SER 9 HN SER 9 -13.573 6.135 -5.802 68 HA SER 9 HA SER 9 -12.818 3.973 -7.431 69 HB2 SER 9 HB2 SER 9 -13.199 5.748 -9.308 70 HB3 SER 9 HB3 SER 9 -14.569 5.255 -8.313 71 HG SER 9 HG SER 9 -14.200 7.600 -8.643 72 H GLU 10 HN GLU 10 -11.258 6.993 -6.582 73 HA GLU 10 HA GLU 10 -9.212 6.981 -8.501 74 HB2 GLU 10 HB2 GLU 10 -9.786 8.887 -6.969 75 HB3 GLU 10 HB3 GLU 10 -9.009 8.004 -5.662 76 HG2 GLU 10 HG2 GLU 10 -7.400 9.520 -6.400 77 HG3 GLU 10 HG3 GLU 10 -6.931 7.983 -7.124 78 H PHE 11 HN PHE 11 -9.479 5.468 -5.317 79 HA PHE 11 HA PHE 11 -6.838 4.462 -5.178 80 HB2 PHE 11 HB2 PHE 11 -7.922 4.355 -3.124 81 HB3 PHE 11 HB3 PHE 11 -9.445 3.871 -3.837 82 HD1 PHE 11 HD2 PHE 11 -5.979 2.517 -3.499 83 HD2 PHE 11 HD1 PHE 11 -10.161 1.788 -3.341 84 HE1 PHE 11 HE2 PHE 11 -5.547 0.191 -2.819 85 HE2 PHE 11 HE1 PHE 11 -9.744 -0.534 -2.661 86 HZ PHE 11 HZ PHE 11 -7.439 -1.327 -2.390 87 H ASP 12 HN ASP 12 -9.890 3.007 -6.168 88 HA ASP 12 HA ASP 12 -8.799 0.530 -7.012 89 HB2 ASP 12 HB2 ASP 12 -11.364 1.964 -7.665 90 HB3 ASP 12 HB3 ASP 12 -10.989 0.371 -8.299 91 H SER 13 HN SER 13 -9.189 3.623 -8.539 92 HA SER 13 HA SER 13 -8.944 2.801 -11.222 93 HB2 SER 13 HB2 SER 13 -9.769 5.042 -10.504 94 HB3 SER 13 HB3 SER 13 -8.125 5.460 -10.034 95 HG SER 13 HG SER 13 -7.557 4.985 -12.273 96 H ILE 14 HN ILE 14 -6.586 3.894 -8.825 97 HA ILE 14 HA ILE 14 -4.336 3.856 -10.542 98 HB ILE 14 HB ILE 14 -4.539 3.322 -7.567 99 HG12 ILE 14 HG12 ILE 14 -5.181 5.511 -7.638 100 HG13 ILE 14 HG13 ILE 14 -3.444 5.773 -7.718 101 HG21 ILE 14 HG21 ILE 14 -2.300 3.146 -9.369 102 HG22 ILE 14 HG22 ILE 14 -2.021 4.391 -8.149 103 HG23 ILE 14 HG23 ILE 14 -2.404 2.742 -7.656 104 HD11 ILE 14 HD11 ILE 14 -4.665 7.139 -9.327 105 HD12 ILE 14 HD12 ILE 14 -3.569 6.009 -10.123 106 HD13 ILE 14 HD13 ILE 14 -5.301 5.675 -10.080 107 H ILE 15 HN ILE 15 -5.906 1.415 -8.627 108 HA ILE 15 HA ILE 15 -3.991 -0.610 -8.712 109 HB ILE 15 HB ILE 15 -6.963 -1.149 -8.791 110 HG12 ILE 15 HG12 ILE 15 -6.511 0.616 -7.147 111 HG13 ILE 15 HG13 ILE 15 -6.914 -0.884 -6.365 112 HG21 ILE 15 HG21 ILE 15 -5.465 -2.682 -6.894 113 HG22 ILE 15 HG22 ILE 15 -6.376 -3.241 -8.305 114 HG23 ILE 15 HG23 ILE 15 -4.682 -2.786 -8.480 115 HD11 ILE 15 HD11 ILE 15 -4.364 -1.263 -6.306 116 HD12 ILE 15 HD12 ILE 15 -4.296 0.487 -6.536 117 HD13 ILE 15 HD13 ILE 15 -5.123 -0.184 -5.128 118 H SER 16 HN SER 16 -6.596 0.088 -11.007 119 HA SER 16 HA SER 16 -5.862 -2.124 -12.723 120 HB2 SER 16 HB2 SER 16 -8.147 -0.323 -12.444 121 HB3 SER 16 HB3 SER 16 -7.759 -0.727 -14.116 122 HG SER 16 HG SER 16 -7.782 -2.958 -13.433 123 H GLN 17 HN GLN 17 -5.217 1.300 -12.723 124 HA GLN 17 HA GLN 17 -4.669 1.416 -15.549 125 HB2 GLN 17 HB2 GLN 17 -4.953 3.297 -13.384 126 HB3 GLN 17 HB3 GLN 17 -3.614 3.714 -14.429 127 HG2 GLN 17 HG2 GLN 17 -6.061 4.563 -14.860 128 HG3 GLN 17 HG3 GLN 17 -4.951 4.215 -16.170 129 HE21 GLN 17 HE21 GLN 17 -7.866 3.343 -14.572 130 HE22 GLN 17 HE22 GLN 17 -8.375 2.124 -15.685 131 H ASN 18 HN ASN 18 -2.890 -0.141 -13.461 132 HA ASN 18 HA ASN 18 -0.462 0.417 -14.908 133 HB2 ASN 18 HB2 ASN 18 0.620 0.329 -12.381 134 HB3 ASN 18 HB3 ASN 18 0.410 1.777 -13.352 135 HD21 ASN 18 HD21 ASN 18 -1.791 2.880 -13.048 136 HD22 ASN 18 HD22 ASN 18 -2.399 2.932 -11.440 137 H GLU 19 HN GLU 19 1.243 -1.196 -14.518 138 HA GLU 19 HA GLU 19 0.158 -3.820 -14.486 139 HB2 GLU 19 HB2 GLU 19 2.275 -2.924 -15.683 140 HB3 GLU 19 HB3 GLU 19 3.086 -3.237 -14.155 141 HG2 GLU 19 HG2 GLU 19 3.073 -5.459 -14.452 142 HG3 GLU 19 HG3 GLU 19 1.464 -5.460 -15.172 143 H LEU 20 HN LEU 20 2.318 -2.171 -12.147 144 HA LEU 20 HA LEU 20 1.298 -4.099 -10.171 145 HB2 LEU 20 HB2 LEU 20 3.760 -4.373 -10.955 146 HB3 LEU 20 HB3 LEU 20 4.038 -2.938 -9.994 147 HG LEU 20 HG LEU 20 3.416 -4.043 -7.976 148 HD11 LEU 20 HD11 LEU 20 1.638 -5.416 -8.290 149 HD12 LEU 20 HD12 LEU 20 2.242 -6.033 -9.827 150 HD13 LEU 20 HD13 LEU 20 2.916 -6.632 -8.312 151 HD21 LEU 20 HD21 LEU 20 5.388 -5.290 -9.765 152 HD22 LEU 20 HD22 LEU 20 5.577 -4.648 -8.134 153 HD23 LEU 20 HD23 LEU 20 4.904 -6.260 -8.375 154 H VAL 21 HN VAL 21 0.558 -3.234 -8.362 155 HA VAL 21 HA VAL 21 1.100 -0.403 -7.859 156 HB VAL 21 HB VAL 21 -1.610 -1.481 -7.289 157 HG11 VAL 21 HG11 VAL 21 -1.444 1.191 -8.323 158 HG12 VAL 21 HG12 VAL 21 -2.022 0.631 -6.753 159 HG13 VAL 21 HG13 VAL 21 -0.309 0.976 -6.991 160 HG21 VAL 21 HG21 VAL 21 -0.476 -0.817 -9.953 161 HG22 VAL 21 HG22 VAL 21 -1.644 -2.062 -9.507 162 HG23 VAL 21 HG23 VAL 21 -2.148 -0.374 -9.600 163 H ILE 22 HN ILE 22 1.922 -0.083 -5.916 164 HA ILE 22 HA ILE 22 1.154 -2.078 -3.855 165 HB ILE 22 HB ILE 22 3.493 -2.207 -4.032 166 HG12 ILE 22 HG12 ILE 22 4.295 -1.420 -1.896 167 HG13 ILE 22 HG13 ILE 22 3.035 -0.199 -1.817 168 HG21 ILE 22 HG21 ILE 22 3.333 0.709 -4.505 169 HG22 ILE 22 HG22 ILE 22 4.789 0.093 -3.722 170 HG23 ILE 22 HG23 ILE 22 4.312 -0.522 -5.305 171 HD11 ILE 22 HD11 ILE 22 2.955 -2.660 -0.643 172 HD12 ILE 22 HD12 ILE 22 1.557 -1.639 -0.980 173 HD13 ILE 22 HD13 ILE 22 2.014 -2.911 -2.113 174 H VAL 23 HN VAL 23 -0.069 -1.415 -2.314 175 HA VAL 23 HA VAL 23 -0.190 1.441 -1.677 176 HB VAL 23 HB VAL 23 -2.088 0.985 -3.122 177 HG11 VAL 23 HG11 VAL 23 -2.105 -1.490 -2.510 178 HG12 VAL 23 HG12 VAL 23 -3.106 -1.014 -1.138 179 HG13 VAL 23 HG13 VAL 23 -3.659 -0.702 -2.784 180 HG21 VAL 23 HG21 VAL 23 -3.961 1.457 -1.435 181 HG22 VAL 23 HG22 VAL 23 -2.691 1.419 -0.213 182 HG23 VAL 23 HG23 VAL 23 -2.624 2.602 -1.519 183 H ASP 24 HN ASP 24 -0.544 1.931 0.425 184 HA ASP 24 HA ASP 24 -0.504 -0.377 2.230 185 HB2 ASP 24 HB2 ASP 24 1.254 0.556 3.224 186 HB3 ASP 24 HB3 ASP 24 1.231 1.818 2.020 187 H PHE 25 HN PHE 25 -2.421 -0.774 3.018 188 HA PHE 25 HA PHE 25 -4.348 1.361 3.556 189 HB2 PHE 25 HB2 PHE 25 -4.519 -1.626 4.130 190 HB3 PHE 25 HB3 PHE 25 -5.861 -0.485 4.092 191 HD1 PHE 25 HD1 PHE 25 -6.188 0.777 1.815 192 HD2 PHE 25 HD2 PHE 25 -4.068 -2.890 2.234 193 HE1 PHE 25 HE1 PHE 25 -6.491 0.333 -0.583 194 HE2 PHE 25 HE2 PHE 25 -4.372 -3.343 -0.169 195 HZ PHE 25 HZ PHE 25 -5.574 -1.732 -1.606 196 H PHE 26 HN PHE 26 -3.974 2.480 5.370 197 HA PHE 26 HA PHE 26 -2.927 0.939 7.563 198 HB2 PHE 26 HB2 PHE 26 -1.358 2.866 8.132 199 HB3 PHE 26 HB3 PHE 26 -1.096 2.259 6.503 200 HD1 PHE 26 HD1 PHE 26 -2.718 3.536 4.702 201 HD2 PHE 26 HD2 PHE 26 -1.235 5.177 8.352 202 HE1 PHE 26 HE1 PHE 26 -3.033 5.797 3.801 203 HE2 PHE 26 HE2 PHE 26 -1.520 7.437 7.437 204 HZ PHE 26 HZ PHE 26 -2.398 7.754 5.160 205 H ALA 27 HN ALA 27 -3.108 3.149 9.957 206 HA ALA 27 HA ALA 27 -5.475 4.696 9.382 207 HB1 ALA 27 HB1 ALA 27 -5.400 2.516 11.534 208 HB2 ALA 27 HB2 ALA 27 -6.670 3.760 11.434 209 HB3 ALA 27 HB3 ALA 27 -6.458 2.572 10.140 210 H GLU 28 HN GLU 28 -5.357 6.594 10.357 211 HA GLU 28 HA GLU 28 -3.025 7.956 11.037 212 HB2 GLU 28 HB2 GLU 28 -5.367 8.691 10.573 213 HB3 GLU 28 HB3 GLU 28 -5.673 8.617 12.307 214 HG2 GLU 28 HG2 GLU 28 -3.312 9.906 12.234 215 HG3 GLU 28 HG3 GLU 28 -4.062 10.485 10.749 216 H TRP 29 HN TRP 29 -4.160 5.635 14.058 217 HA TRP 29 HA TRP 29 -3.243 7.975 16.193 218 HB2 TRP 29 HB2 TRP 29 -4.989 6.389 17.517 219 HB3 TRP 29 HB3 TRP 29 -5.657 7.512 16.367 220 HD1 TRP 29 HD1 TRP 29 -7.908 6.270 14.583 221 HE1 TRP 29 HE1 TRP 29 -8.451 3.817 14.253 222 HE3 TRP 29 HE3 TRP 29 -4.455 3.899 17.894 223 HZ2 TRP 29 HZ2 TRP 29 -7.763 1.314 15.190 224 HZ3 TRP 29 HZ3 TRP 29 -4.615 1.462 18.064 225 HH2 TRP 29 HH2 TRP 29 -6.261 0.203 16.778 226 H CYS 30 HN CYS 30 -1.897 4.853 14.377 227 HA CYS 30 HA CYS 30 -0.956 3.898 16.991 228 HB2 CYS 30 HB2 CYS 30 -0.122 1.989 15.447 229 HB3 CYS 30 HB3 CYS 30 -1.845 2.117 15.784 230 H GLY 31 HN GLY 31 1.268 3.272 17.225 231 HA2 GLY 31 HA2 GLY 31 3.097 5.267 16.343 232 HA3 GLY 31 HA3 GLY 31 3.500 3.820 17.252 233 HA PRO 32 HA PRO 32 4.995 1.505 13.744 234 HB2 PRO 32 HB2 PRO 32 3.029 -0.199 12.855 235 HB3 PRO 32 HB3 PRO 32 4.097 -0.511 14.223 236 HG2 PRO 32 HG2 PRO 32 1.304 0.588 14.202 237 HG3 PRO 32 HG3 PRO 32 1.998 -0.637 15.273 238 HD2 PRO 32 HD2 PRO 32 1.699 1.847 16.117 239 HD3 PRO 32 HD3 PRO 32 3.174 0.951 16.522 240 H CYS 33 HN CYS 33 1.561 2.281 12.948 241 HA CYS 33 HA CYS 33 1.807 2.228 10.207 242 HB2 CYS 33 HB2 CYS 33 0.108 4.260 10.345 243 HB3 CYS 33 HB3 CYS 33 -0.366 2.632 10.808 244 H LYS 34 HN LYS 34 2.400 5.082 12.268 245 HA LYS 34 HA LYS 34 3.375 6.702 10.144 246 HB2 LYS 34 HB2 LYS 34 3.597 6.897 13.142 247 HB3 LYS 34 HB3 LYS 34 4.326 8.084 12.069 248 HG2 LYS 34 HG2 LYS 34 2.202 8.732 11.213 249 HG3 LYS 34 HG3 LYS 34 1.400 7.388 12.030 250 HD2 LYS 34 HD2 LYS 34 1.139 8.604 13.875 251 HD3 LYS 34 HD3 LYS 34 2.867 8.954 13.938 252 HE2 LYS 34 HE2 LYS 34 0.841 10.452 12.280 253 HE3 LYS 34 HE3 LYS 34 1.491 10.995 13.826 254 HZ1 LYS 34 HZ1 LYS 34 2.528 11.812 11.601 255 HZ2 LYS 34 HZ2 LYS 34 3.351 10.335 11.652 256 HZ3 LYS 34 HZ3 LYS 34 3.528 11.443 12.917 257 H ARG 35 HN ARG 35 4.882 4.504 12.392 258 HA ARG 35 HA ARG 35 7.575 5.261 11.944 259 HB2 ARG 35 HB2 ARG 35 6.208 3.549 13.679 260 HB3 ARG 35 HB3 ARG 35 7.305 2.509 12.783 261 HG2 ARG 35 HG2 ARG 35 8.474 5.013 13.791 262 HG3 ARG 35 HG3 ARG 35 7.976 3.848 15.019 263 HD2 ARG 35 HD2 ARG 35 9.312 2.419 12.968 264 HD3 ARG 35 HD3 ARG 35 10.298 3.825 13.368 265 HE ARG 35 HE ARG 35 9.369 2.390 15.674 266 HH11 ARG 35 HH11 ARG 35 11.852 2.551 13.227 267 HH12 ARG 35 HH12 ARG 35 13.031 1.727 14.191 268 HH21 ARG 35 HH21 ARG 35 10.918 1.306 16.944 269 HH22 ARG 35 HH22 ARG 35 12.501 1.020 16.301 270 H ILE 36 HN ILE 36 5.450 3.112 10.247 271 HA ILE 36 HA ILE 36 7.567 1.722 8.906 272 HB ILE 36 HB ILE 36 5.476 0.562 9.416 273 HG12 ILE 36 HG12 ILE 36 5.244 -0.596 7.343 274 HG13 ILE 36 HG13 ILE 36 5.741 0.818 6.420 275 HG21 ILE 36 HG21 ILE 36 4.292 2.700 7.708 276 HG22 ILE 36 HG22 ILE 36 3.526 1.113 7.812 277 HG23 ILE 36 HG23 ILE 36 3.756 2.079 9.270 278 HD11 ILE 36 HD11 ILE 36 7.372 -1.177 6.827 279 HD12 ILE 36 HD12 ILE 36 7.957 0.486 6.862 280 HD13 ILE 36 HD13 ILE 36 7.643 -0.370 8.372 281 H ALA 37 HN ALA 37 5.921 4.667 8.491 282 HA ALA 37 HA ALA 37 5.837 4.866 5.681 283 HB1 ALA 37 HB1 ALA 37 4.563 6.508 6.557 284 HB2 ALA 37 HB2 ALA 37 5.611 6.726 7.959 285 HB3 ALA 37 HB3 ALA 37 6.055 7.437 6.407 286 HA PRO 38 HA PRO 38 10.124 7.321 6.330 287 HB2 PRO 38 HB2 PRO 38 11.131 5.451 8.426 288 HB3 PRO 38 HB3 PRO 38 11.442 7.178 8.214 289 HG2 PRO 38 HG2 PRO 38 9.761 6.321 10.092 290 HG3 PRO 38 HG3 PRO 38 9.420 7.794 9.165 291 HD2 PRO 38 HD2 PRO 38 8.202 5.088 8.932 292 HD3 PRO 38 HD3 PRO 38 7.467 6.680 8.686 293 H PHE 39 HN PHE 39 10.035 3.807 7.047 294 HA PHE 39 HA PHE 39 12.237 3.247 5.304 295 HB2 PHE 39 HB2 PHE 39 11.762 1.702 7.096 296 HB3 PHE 39 HB3 PHE 39 10.129 1.425 6.488 297 HD1 PHE 39 HD1 PHE 39 13.716 0.903 5.757 298 HD2 PHE 39 HD2 PHE 39 9.712 -0.143 4.779 299 HE1 PHE 39 HE1 PHE 39 14.541 -0.936 4.346 300 HE2 PHE 39 HE2 PHE 39 10.527 -1.983 3.377 301 HZ PHE 39 HZ PHE 39 12.940 -2.375 3.151 302 H TYR 40 HN TYR 40 8.766 3.259 5.102 303 HA TYR 40 HA TYR 40 8.421 2.055 2.595 304 HB2 TYR 40 HB2 TYR 40 6.745 2.978 4.485 305 HB3 TYR 40 HB3 TYR 40 6.671 4.346 3.361 306 HD1 TYR 40 HD2 TYR 40 7.099 0.866 2.192 307 HD2 TYR 40 HD1 TYR 40 4.349 4.037 2.889 308 HE1 TYR 40 HE2 TYR 40 5.397 -0.329 0.881 309 HE2 TYR 40 HE1 TYR 40 2.641 2.850 1.590 310 HH TYR 40 HH TYR 40 2.460 1.153 -0.104 311 H GLU 41 HN GLU 41 9.280 5.302 3.582 312 HA GLU 41 HA GLU 41 8.957 6.578 1.072 313 HB2 GLU 41 HB2 GLU 41 10.944 7.341 3.212 314 HB3 GLU 41 HB3 GLU 41 10.227 8.389 1.994 315 HG2 GLU 41 HG2 GLU 41 8.024 7.434 3.241 316 HG3 GLU 41 HG3 GLU 41 9.181 7.497 4.570 317 H GLU 42 HN GLU 42 11.727 4.995 2.615 318 HA GLU 42 HA GLU 42 13.630 5.605 0.637 319 HB2 GLU 42 HB2 GLU 42 13.598 3.041 2.225 320 HB3 GLU 42 HB3 GLU 42 14.993 3.916 1.608 321 HG2 GLU 42 HG2 GLU 42 13.697 5.733 3.264 322 HG3 GLU 42 HG3 GLU 42 13.602 4.193 4.118 323 H CYS 43 HN CYS 43 11.371 2.949 1.035 324 HA CYS 43 HA CYS 43 12.115 1.355 -1.154 325 HB2 CYS 43 HB2 CYS 43 9.402 1.652 0.140 326 HB3 CYS 43 HB3 CYS 43 9.977 0.259 -0.751 327 HG CYS 43 HG CYS 43 12.123 0.786 1.614 328 H SER 44 HN SER 44 9.965 4.113 -0.895 329 HA SER 44 HA SER 44 8.720 3.795 -3.417 330 HB2 SER 44 HB2 SER 44 7.753 5.946 -3.019 331 HB3 SER 44 HB3 SER 44 7.822 5.093 -1.474 332 HG SER 44 HG SER 44 9.538 6.342 -0.865 333 H LYS 45 HN LYS 45 11.792 5.230 -2.564 334 HA LYS 45 HA LYS 45 11.850 6.705 -5.076 335 HB2 LYS 45 HB2 LYS 45 14.236 7.319 -4.087 336 HB3 LYS 45 HB3 LYS 45 12.762 8.133 -3.594 337 HG2 LYS 45 HG2 LYS 45 12.670 6.956 -1.557 338 HG3 LYS 45 HG3 LYS 45 13.888 5.796 -2.085 339 HD2 LYS 45 HD2 LYS 45 15.304 7.096 -0.923 340 HD3 LYS 45 HD3 LYS 45 15.241 8.133 -2.350 341 HE2 LYS 45 HE2 LYS 45 13.527 8.393 0.119 342 HE3 LYS 45 HE3 LYS 45 14.892 9.423 -0.311 343 HZ1 LYS 45 HZ1 LYS 45 13.466 9.717 -2.487 344 HZ2 LYS 45 HZ2 LYS 45 13.194 10.670 -1.117 345 HZ3 LYS 45 HZ3 LYS 45 12.195 9.343 -1.435 346 H THR 46 HN THR 46 13.139 3.719 -3.889 347 HA THR 46 HA THR 46 15.117 3.625 -6.058 348 HB THR 46 HB THR 46 14.786 2.197 -3.463 349 HG1 THR 46 HG1 THR 46 16.907 3.322 -4.976 350 HG21 THR 46 HG21 THR 46 14.751 0.309 -4.988 351 HG22 THR 46 HG22 THR 46 16.160 0.936 -5.842 352 HG23 THR 46 HG23 THR 46 16.311 0.386 -4.174 353 H TYR 47 HN TYR 47 12.295 2.100 -4.792 354 HA TYR 47 HA TYR 47 12.139 0.074 -6.811 355 HB2 TYR 47 HB2 TYR 47 10.056 0.753 -4.735 356 HB3 TYR 47 HB3 TYR 47 10.242 -0.757 -5.611 357 HD1 TYR 47 HD2 TYR 47 13.281 -0.975 -5.312 358 HD2 TYR 47 HD1 TYR 47 10.180 -0.091 -2.569 359 HE1 TYR 47 HE2 TYR 47 14.677 -1.836 -3.478 360 HE2 TYR 47 HE1 TYR 47 11.558 -0.939 -0.700 361 HH TYR 47 HH TYR 47 14.882 -1.600 -1.054 362 H THR 48 HN THR 48 11.786 3.100 -7.355 363 HA THR 48 HA THR 48 9.222 3.825 -7.877 364 HB THR 48 HB THR 48 10.116 5.396 -9.565 365 HG1 THR 48 HG1 THR 48 12.621 4.164 -8.994 366 HG21 THR 48 HG21 THR 48 11.773 6.483 -7.980 367 HG22 THR 48 HG22 THR 48 10.177 6.137 -7.315 368 HG23 THR 48 HG23 THR 48 11.540 5.086 -6.929 369 H LYS 49 HN LYS 49 10.423 1.115 -9.376 370 HA LYS 49 HA LYS 49 9.222 1.580 -11.970 371 HB2 LYS 49 HB2 LYS 49 9.871 -1.178 -11.066 372 HB3 LYS 49 HB3 LYS 49 10.149 -0.407 -12.615 373 HG2 LYS 49 HG2 LYS 49 12.291 -0.359 -12.030 374 HG3 LYS 49 HG3 LYS 49 11.840 0.981 -10.976 375 HD2 LYS 49 HD2 LYS 49 12.366 -0.216 -9.177 376 HD3 LYS 49 HD3 LYS 49 11.241 -1.486 -9.660 377 HE2 LYS 49 HE2 LYS 49 13.121 -2.732 -9.750 378 HE3 LYS 49 HE3 LYS 49 13.269 -2.000 -11.347 379 HZ1 LYS 49 HZ1 LYS 49 15.322 -1.574 -10.481 380 HZ2 LYS 49 HZ2 LYS 49 14.763 -1.420 -8.892 381 HZ3 LYS 49 HZ3 LYS 49 14.518 -0.165 -9.999 382 H MET 50 HN MET 50 8.026 1.206 -9.017 383 HA MET 50 HA MET 50 5.512 -0.178 -9.799 384 HB2 MET 50 HB2 MET 50 7.448 -0.709 -7.684 385 HB3 MET 50 HB3 MET 50 5.860 -0.448 -7.034 386 HG2 MET 50 HG2 MET 50 6.669 -2.830 -7.655 387 HG3 MET 50 HG3 MET 50 5.018 -2.342 -8.010 388 HE1 MET 50 HE1 MET 50 8.565 -2.311 -9.282 389 HE2 MET 50 HE2 MET 50 8.467 -2.579 -11.019 390 HE3 MET 50 HE3 MET 50 8.279 -3.933 -9.906 391 H VAL 51 HN VAL 51 3.617 0.810 -8.970 392 HA VAL 51 HA VAL 51 4.096 3.583 -8.154 393 HB VAL 51 HB VAL 51 1.327 3.262 -8.283 394 HG11 VAL 51 HG11 VAL 51 3.102 4.249 -10.500 395 HG12 VAL 51 HG12 VAL 51 1.457 4.758 -10.119 396 HG13 VAL 51 HG13 VAL 51 2.780 5.159 -9.024 397 HG21 VAL 51 HG21 VAL 51 1.077 2.358 -10.622 398 HG22 VAL 51 HG22 VAL 51 2.693 1.679 -10.435 399 HG23 VAL 51 HG23 VAL 51 1.396 1.179 -9.357 400 H PHE 52 HN PHE 52 3.887 4.299 -6.227 401 HA PHE 52 HA PHE 52 2.717 2.577 -4.176 402 HB2 PHE 52 HB2 PHE 52 4.766 4.786 -3.999 403 HB3 PHE 52 HB3 PHE 52 3.995 4.109 -2.578 404 HD1 PHE 52 HD2 PHE 52 5.607 2.830 -5.638 405 HD2 PHE 52 HD1 PHE 52 5.297 2.592 -1.426 406 HE1 PHE 52 HE2 PHE 52 7.355 1.092 -5.633 407 HE2 PHE 52 HE1 PHE 52 7.047 0.854 -1.385 408 HZ PHE 52 HZ PHE 52 8.087 0.102 -3.497 409 H ILE 53 HN ILE 53 0.971 3.133 -3.143 410 HA ILE 53 HA ILE 53 0.140 5.957 -2.929 411 HB ILE 53 HB ILE 53 -2.248 5.129 -3.427 412 HG12 ILE 53 HG12 ILE 53 -1.408 2.700 -3.464 413 HG13 ILE 53 HG13 ILE 53 -2.548 3.180 -4.713 414 HG21 ILE 53 HG21 ILE 53 -1.488 5.151 -6.037 415 HG22 ILE 53 HG22 ILE 53 -1.692 6.589 -5.036 416 HG23 ILE 53 HG23 ILE 53 -0.089 5.888 -5.257 417 HD11 ILE 53 HD11 ILE 53 0.221 3.566 -5.503 418 HD12 ILE 53 HD12 ILE 53 -0.163 1.892 -5.110 419 HD13 ILE 53 HD13 ILE 53 -1.094 2.748 -6.337 420 H LYS 54 HN LYS 54 -1.215 6.338 -1.110 421 HA LYS 54 HA LYS 54 -1.582 4.023 0.666 422 HB2 LYS 54 HB2 LYS 54 -0.880 5.168 2.541 423 HB3 LYS 54 HB3 LYS 54 0.230 5.764 1.324 424 HG2 LYS 54 HG2 LYS 54 -2.112 7.443 1.519 425 HG3 LYS 54 HG3 LYS 54 -1.318 7.253 3.077 426 HD2 LYS 54 HD2 LYS 54 0.438 7.760 0.755 427 HD3 LYS 54 HD3 LYS 54 -0.581 9.097 1.281 428 HE2 LYS 54 HE2 LYS 54 0.301 8.487 3.650 429 HE3 LYS 54 HE3 LYS 54 1.590 7.675 2.761 430 HZ1 LYS 54 HZ1 LYS 54 0.861 10.513 2.312 431 HZ2 LYS 54 HZ2 LYS 54 2.242 9.701 1.770 432 HZ3 LYS 54 HZ3 LYS 54 2.048 10.031 3.417 433 H VAL 55 HN VAL 55 -3.531 3.734 1.460 434 HA VAL 55 HA VAL 55 -5.546 5.823 1.154 435 HB VAL 55 HB VAL 55 -5.478 3.131 -0.065 436 HG11 VAL 55 HG11 VAL 55 -7.832 2.689 -0.019 437 HG12 VAL 55 HG12 VAL 55 -7.255 2.807 1.647 438 HG13 VAL 55 HG13 VAL 55 -8.136 4.154 0.923 439 HG21 VAL 55 HG21 VAL 55 -6.390 4.184 -1.874 440 HG22 VAL 55 HG22 VAL 55 -7.295 5.335 -0.891 441 HG23 VAL 55 HG23 VAL 55 -5.554 5.529 -1.099 442 H ASP 56 HN ASP 56 -6.397 6.291 3.027 443 HA ASP 56 HA ASP 56 -6.090 4.530 5.283 444 HB2 ASP 56 HB2 ASP 56 -6.772 6.374 6.614 445 HB3 ASP 56 HB3 ASP 56 -5.822 7.069 5.312 446 H VAL 57 HN VAL 57 -7.824 3.937 6.704 447 HA VAL 57 HA VAL 57 -10.023 2.841 5.205 448 HB VAL 57 HB VAL 57 -10.524 1.524 7.107 449 HG11 VAL 57 HG11 VAL 57 -8.025 0.975 7.933 450 HG12 VAL 57 HG12 VAL 57 -8.684 0.435 6.388 451 HG13 VAL 57 HG13 VAL 57 -7.668 1.875 6.458 452 HG21 VAL 57 HG21 VAL 57 -9.201 2.013 9.295 453 HG22 VAL 57 HG22 VAL 57 -9.069 3.643 8.635 454 HG23 VAL 57 HG23 VAL 57 -10.658 2.937 8.931 455 H ASP 58 HN ASP 58 -9.477 5.560 7.233 456 HA ASP 58 HA ASP 58 -12.133 5.871 8.193 457 HB2 ASP 58 HB2 ASP 58 -9.734 7.682 8.123 458 HB3 ASP 58 HB3 ASP 58 -11.287 8.222 8.752 459 H GLU 59 HN GLU 59 -10.316 7.404 5.555 460 HA GLU 59 HA GLU 59 -12.423 9.175 4.840 461 HB2 GLU 59 HB2 GLU 59 -9.917 8.292 3.437 462 HB3 GLU 59 HB3 GLU 59 -11.068 9.379 2.677 463 HG2 GLU 59 HG2 GLU 59 -10.505 10.355 5.285 464 HG3 GLU 59 HG3 GLU 59 -8.979 9.998 4.478 465 H VAL 60 HN VAL 60 -11.401 6.005 3.610 466 HA VAL 60 HA VAL 60 -13.963 5.890 2.172 467 HB VAL 60 HB VAL 60 -12.502 4.375 0.527 468 HG11 VAL 60 HG11 VAL 60 -13.881 6.648 0.292 469 HG12 VAL 60 HG12 VAL 60 -12.260 7.272 -0.013 470 HG13 VAL 60 HG13 VAL 60 -12.911 5.978 -1.020 471 HG21 VAL 60 HG21 VAL 60 -10.576 6.464 1.542 472 HG22 VAL 60 HG22 VAL 60 -10.390 4.714 1.651 473 HG23 VAL 60 HG23 VAL 60 -10.347 5.509 0.077 474 H SER 61 HN SER 61 -14.727 4.660 3.968 475 HA SER 61 HA SER 61 -13.564 2.257 4.863 476 HB2 SER 61 HB2 SER 61 -15.919 3.751 5.407 477 HB3 SER 61 HB3 SER 61 -16.426 2.104 5.033 478 HG SER 61 HG SER 61 -14.692 1.489 6.578 479 H GLU 62 HN GLU 62 -15.617 3.038 2.158 480 HA GLU 62 HA GLU 62 -16.525 0.509 1.443 481 HB2 GLU 62 HB2 GLU 62 -15.837 2.925 -0.226 482 HB3 GLU 62 HB3 GLU 62 -16.538 1.469 -0.917 483 HG2 GLU 62 HG2 GLU 62 -18.221 1.995 1.174 484 HG3 GLU 62 HG3 GLU 62 -17.786 3.609 0.616 485 H VAL 63 HN VAL 63 -13.388 1.975 1.105 486 HA VAL 63 HA VAL 63 -12.340 0.203 -0.844 487 HB VAL 63 HB VAL 63 -10.952 1.891 1.243 488 HG11 VAL 63 HG11 VAL 63 -9.144 0.647 0.836 489 HG12 VAL 63 HG12 VAL 63 -9.888 -0.138 -0.558 490 HG13 VAL 63 HG13 VAL 63 -9.111 1.434 -0.741 491 HG21 VAL 63 HG21 VAL 63 -12.312 2.858 -0.788 492 HG22 VAL 63 HG22 VAL 63 -10.756 3.547 -0.330 493 HG23 VAL 63 HG23 VAL 63 -10.858 2.428 -1.689 494 H THR 64 HN THR 64 -12.332 0.228 2.677 495 HA THR 64 HA THR 64 -10.685 -1.981 3.116 496 HB THR 64 HB THR 64 -13.005 -0.910 4.729 497 HG1 THR 64 HG1 THR 64 -10.995 0.356 4.388 498 HG21 THR 64 HG21 THR 64 -12.696 -3.209 5.391 499 HG22 THR 64 HG22 THR 64 -10.948 -2.995 5.474 500 HG23 THR 64 HG23 THR 64 -11.993 -2.172 6.633 501 H GLU 65 HN GLU 65 -14.196 -1.778 2.657 502 HA GLU 65 HA GLU 65 -14.649 -4.575 2.958 503 HB2 GLU 65 HB2 GLU 65 -16.895 -4.118 2.141 504 HB3 GLU 65 HB3 GLU 65 -16.417 -2.912 3.327 505 HG2 GLU 65 HG2 GLU 65 -16.023 -1.293 1.626 506 HG3 GLU 65 HG3 GLU 65 -16.244 -2.494 0.356 507 H LYS 66 HN LYS 66 -14.083 -2.478 0.176 508 HA LYS 66 HA LYS 66 -14.757 -4.253 -1.867 509 HB2 LYS 66 HB2 LYS 66 -12.719 -2.034 -1.754 510 HB3 LYS 66 HB3 LYS 66 -13.069 -2.927 -3.228 511 HG2 LYS 66 HG2 LYS 66 -15.329 -1.709 -1.741 512 HG3 LYS 66 HG3 LYS 66 -14.265 -0.656 -2.679 513 HD2 LYS 66 HD2 LYS 66 -15.028 -3.034 -4.159 514 HD3 LYS 66 HD3 LYS 66 -16.435 -2.109 -3.632 515 HE2 LYS 66 HE2 LYS 66 -14.345 -0.394 -4.673 516 HE3 LYS 66 HE3 LYS 66 -14.846 -1.606 -5.852 517 HZ1 LYS 66 HZ1 LYS 66 -17.086 -0.875 -5.698 518 HZ2 LYS 66 HZ2 LYS 66 -16.131 0.503 -5.925 519 HZ3 LYS 66 HZ3 LYS 66 -16.744 0.144 -4.390 520 H GLU 67 HN GLU 67 -11.747 -3.876 -0.078 521 HA GLU 67 HA GLU 67 -10.502 -6.020 -1.606 522 HB2 GLU 67 HB2 GLU 67 -9.515 -4.040 0.418 523 HB3 GLU 67 HB3 GLU 67 -8.566 -5.473 0.047 524 HG2 GLU 67 HG2 GLU 67 -9.399 -3.303 -1.860 525 HG3 GLU 67 HG3 GLU 67 -7.772 -3.647 -1.275 526 H ASN 68 HN ASN 68 -12.608 -5.944 0.890 527 HA ASN 68 HA ASN 68 -13.156 -7.322 2.597 528 HB2 ASN 68 HB2 ASN 68 -12.675 -8.828 0.372 529 HB3 ASN 68 HB3 ASN 68 -11.618 -9.593 1.550 530 HD21 ASN 68 HD21 ASN 68 -12.838 -9.673 3.816 531 HD22 ASN 68 HD22 ASN 68 -14.398 -10.402 3.726 532 H ILE 69 HN ILE 69 -11.028 -5.743 3.230 533 HA ILE 69 HA ILE 69 -8.813 -7.250 4.244 534 HB ILE 69 HB ILE 69 -9.448 -4.544 5.312 535 HG12 ILE 69 HG12 ILE 69 -9.092 -5.160 2.432 536 HG13 ILE 69 HG13 ILE 69 -9.770 -3.736 3.212 537 HG21 ILE 69 HG21 ILE 69 -6.917 -5.896 4.395 538 HG22 ILE 69 HG22 ILE 69 -7.019 -4.312 5.159 539 HG23 ILE 69 HG23 ILE 69 -7.479 -5.758 6.059 540 HD11 ILE 69 HD11 ILE 69 -6.914 -4.349 2.585 541 HD12 ILE 69 HD12 ILE 69 -7.889 -2.960 2.100 542 HD13 ILE 69 HD13 ILE 69 -7.359 -3.125 3.774 543 H THR 70 HN THR 70 -8.488 -8.101 6.266 544 HA THR 70 HA THR 70 -10.726 -7.816 8.145 545 HB THR 70 HB THR 70 -10.313 -9.978 8.947 546 HG1 THR 70 HG1 THR 70 -7.831 -9.854 7.553 547 HG21 THR 70 HG21 THR 70 -9.555 -10.673 6.192 548 HG22 THR 70 HG22 THR 70 -10.960 -11.163 7.139 549 HG23 THR 70 HG23 THR 70 -10.943 -9.594 6.334 550 H SER 71 HN SER 71 -7.229 -7.492 7.856 551 HA SER 71 HA SER 71 -7.228 -6.305 10.538 552 HB2 SER 71 HB2 SER 71 -6.578 -8.773 10.627 553 HB3 SER 71 HB3 SER 71 -5.091 -8.294 9.809 554 HG SER 71 HG SER 71 -5.519 -8.233 12.360 555 H MET 72 HN MET 72 -5.854 -4.684 10.891 556 HA MET 72 HA MET 72 -3.977 -3.901 8.749 557 HB2 MET 72 HB2 MET 72 -4.625 -1.705 8.900 558 HB3 MET 72 HB3 MET 72 -6.144 -2.478 9.318 559 HG2 MET 72 HG2 MET 72 -4.144 -1.395 11.289 560 HG3 MET 72 HG3 MET 72 -5.625 -0.590 10.778 561 HE1 MET 72 HE1 MET 72 -4.098 -2.704 13.537 562 HE2 MET 72 HE2 MET 72 -5.516 -2.453 14.554 563 HE3 MET 72 HE3 MET 72 -4.772 -1.085 13.726 564 HA PRO 73 HA PRO 73 -2.620 -1.835 8.743 565 HB2 PRO 73 HB2 PRO 73 0.047 -1.749 8.364 566 HB3 PRO 73 HB3 PRO 73 -0.743 -0.723 9.570 567 HG2 PRO 73 HG2 PRO 73 0.670 -3.340 9.949 568 HG3 PRO 73 HG3 PRO 73 0.833 -1.842 10.886 569 HD2 PRO 73 HD2 PRO 73 -0.697 -3.908 11.721 570 HD3 PRO 73 HD3 PRO 73 -1.123 -2.218 12.059 571 H THR 74 HN THR 74 -2.503 -2.446 6.613 572 HA THR 74 HA THR 74 -1.308 -5.066 6.015 573 HB THR 74 HB THR 74 -3.612 -4.481 4.344 574 HG1 THR 74 HG1 THR 74 -4.718 -5.249 6.655 575 HG21 THR 74 HG21 THR 74 -4.156 -6.775 4.818 576 HG22 THR 74 HG22 THR 74 -2.411 -6.669 4.581 577 HG23 THR 74 HG23 THR 74 -3.075 -6.797 6.212 578 H PHE 75 HN PHE 75 -0.091 -5.181 4.233 579 HA PHE 75 HA PHE 75 -0.069 -2.908 2.337 580 HB2 PHE 75 HB2 PHE 75 2.212 -4.679 3.238 581 HB3 PHE 75 HB3 PHE 75 2.311 -3.605 1.855 582 HD1 PHE 75 HD2 PHE 75 0.328 -1.808 3.955 583 HD2 PHE 75 HD1 PHE 75 4.352 -3.187 3.695 584 HE1 PHE 75 HE2 PHE 75 1.047 0.012 5.439 585 HE2 PHE 75 HE1 PHE 75 5.069 -1.368 5.194 586 HZ PHE 75 HZ PHE 75 3.419 0.232 6.060 587 H LYS 76 HN LYS 76 -0.943 -3.458 0.456 588 HA LYS 76 HA LYS 76 -0.624 -6.247 -0.435 589 HB2 LYS 76 HB2 LYS 76 -2.986 -4.551 -0.242 590 HB3 LYS 76 HB3 LYS 76 -2.806 -5.289 -1.825 591 HG2 LYS 76 HG2 LYS 76 -4.172 -6.666 -0.395 592 HG3 LYS 76 HG3 LYS 76 -2.646 -7.484 -0.749 593 HD2 LYS 76 HD2 LYS 76 -2.963 -7.782 1.557 594 HD3 LYS 76 HD3 LYS 76 -1.791 -6.470 1.413 595 HE2 LYS 76 HE2 LYS 76 -3.186 -5.412 2.861 596 HE3 LYS 76 HE3 LYS 76 -4.109 -5.074 1.399 597 HZ1 LYS 76 HZ1 LYS 76 -5.331 -6.061 3.382 598 HZ2 LYS 76 HZ2 LYS 76 -4.589 -7.524 2.974 599 HZ3 LYS 76 HZ3 LYS 76 -5.615 -6.759 1.868 600 H VAL 77 HN VAL 77 0.153 -6.640 -2.370 601 HA VAL 77 HA VAL 77 0.754 -4.330 -4.090 602 HB VAL 77 HB VAL 77 2.016 -7.085 -4.090 603 HG11 VAL 77 HG11 VAL 77 3.425 -6.373 -5.846 604 HG12 VAL 77 HG12 VAL 77 1.803 -5.883 -6.335 605 HG13 VAL 77 HG13 VAL 77 2.924 -4.690 -5.675 606 HG21 VAL 77 HG21 VAL 77 2.563 -5.448 -2.207 607 HG22 VAL 77 HG22 VAL 77 3.922 -6.100 -3.121 608 HG23 VAL 77 HG23 VAL 77 3.344 -4.468 -3.448 609 H TYR 78 HN TYR 78 -0.367 -4.125 -5.906 610 HA TYR 78 HA TYR 78 -2.017 -6.402 -6.726 611 HB2 TYR 78 HB2 TYR 78 -2.413 -3.448 -7.107 612 HB3 TYR 78 HB3 TYR 78 -3.455 -4.655 -7.804 613 HD1 TYR 78 HD1 TYR 78 -2.440 -2.954 -4.740 614 HD2 TYR 78 HD2 TYR 78 -4.999 -5.931 -6.377 615 HE1 TYR 78 HE1 TYR 78 -3.764 -2.953 -2.668 616 HE2 TYR 78 HE2 TYR 78 -6.328 -5.936 -4.313 617 HH TYR 78 HH TYR 78 -5.289 -4.569 -1.453 618 H LYS 79 HN LYS 79 -1.624 -7.360 -8.596 619 HA LYS 79 HA LYS 79 0.017 -5.951 -10.599 620 HB2 LYS 79 HB2 LYS 79 1.177 -7.843 -9.537 621 HB3 LYS 79 HB3 LYS 79 -0.147 -8.911 -9.982 622 HG2 LYS 79 HG2 LYS 79 0.941 -9.359 -11.845 623 HG3 LYS 79 HG3 LYS 79 0.630 -7.702 -12.357 624 HD2 LYS 79 HD2 LYS 79 2.716 -6.954 -11.470 625 HD3 LYS 79 HD3 LYS 79 2.994 -8.503 -10.671 626 HE2 LYS 79 HE2 LYS 79 2.746 -8.203 -13.653 627 HE3 LYS 79 HE3 LYS 79 4.286 -8.106 -12.799 628 HZ1 LYS 79 HZ1 LYS 79 4.329 -10.311 -12.451 629 HZ2 LYS 79 HZ2 LYS 79 3.264 -10.370 -13.763 630 HZ3 LYS 79 HZ3 LYS 79 2.663 -10.428 -12.184 631 H ASN 80 HN ASN 80 -0.821 -5.692 -12.528 632 HA ASN 80 HA ASN 80 -2.286 -5.698 -14.258 633 HB2 ASN 80 HB2 ASN 80 -2.254 -8.542 -13.373 634 HB3 ASN 80 HB3 ASN 80 -3.526 -8.051 -14.485 635 HD21 ASN 80 HD21 ASN 80 -0.286 -8.975 -14.177 636 HD22 ASN 80 HD22 ASN 80 0.206 -8.673 -15.804 637 H GLY 81 HN GLY 81 -3.167 -4.746 -11.702 638 HA2 GLY 81 HA2 GLY 81 -5.120 -3.832 -10.916 639 HA3 GLY 81 HA3 GLY 81 -5.960 -4.586 -12.256 640 H SER 82 HN SER 82 -4.058 -6.329 -9.798 641 HA SER 82 HA SER 82 -6.404 -7.002 -8.299 642 HB2 SER 82 HB2 SER 82 -6.746 -8.476 -10.239 643 HB3 SER 82 HB3 SER 82 -5.139 -9.165 -10.006 644 HG SER 82 HG SER 82 -7.441 -9.442 -8.406 645 H SER 83 HN SER 83 -5.841 -8.890 -6.721 646 HA SER 83 HA SER 83 -3.562 -8.016 -5.293 647 HB2 SER 83 HB2 SER 83 -4.136 -10.203 -3.936 648 HB3 SER 83 HB3 SER 83 -5.191 -8.794 -3.860 649 HG SER 83 HG SER 83 -6.056 -11.063 -4.378 650 H VAL 84 HN VAL 84 -1.547 -8.870 -5.068 651 HA VAL 84 HA VAL 84 -0.949 -11.269 -6.661 652 HB VAL 84 HB VAL 84 -0.214 -8.915 -7.536 653 HG11 VAL 84 HG11 VAL 84 2.091 -8.346 -6.888 654 HG12 VAL 84 HG12 VAL 84 0.892 -8.059 -5.635 655 HG13 VAL 84 HG13 VAL 84 1.946 -9.468 -5.535 656 HG21 VAL 84 HG21 VAL 84 1.445 -11.412 -7.496 657 HG22 VAL 84 HG22 VAL 84 0.372 -10.821 -8.764 658 HG23 VAL 84 HG23 VAL 84 1.904 -10.003 -8.452 659 H ASP 85 HN ASP 85 0.124 -9.195 -3.999 660 HA ASP 85 HA ASP 85 0.780 -11.525 -2.424 661 HB2 ASP 85 HB2 ASP 85 2.844 -9.903 -3.715 662 HB3 ASP 85 HB3 ASP 85 3.049 -10.016 -1.968 663 H THR 86 HN THR 86 0.552 -11.128 -0.235 664 HA THR 86 HA THR 86 -0.052 -8.345 0.478 665 HB THR 86 HB THR 86 -1.744 -9.148 2.017 666 HG1 THR 86 HG1 THR 86 -0.916 -11.708 1.108 667 HG21 THR 86 HG21 THR 86 -3.212 -9.056 0.335 668 HG22 THR 86 HG22 THR 86 -1.890 -9.323 -0.800 669 HG23 THR 86 HG23 THR 86 -2.786 -10.696 -0.150 670 H LEU 87 HN LEU 87 0.554 -7.576 2.487 671 HA LEU 87 HA LEU 87 2.284 -9.337 4.088 672 HB2 LEU 87 HB2 LEU 87 3.992 -8.054 3.456 673 HB3 LEU 87 HB3 LEU 87 2.929 -6.919 2.663 674 HG LEU 87 HG LEU 87 2.629 -5.731 4.808 675 HD11 LEU 87 HD11 LEU 87 4.618 -6.404 6.445 676 HD12 LEU 87 HD12 LEU 87 2.982 -7.042 6.600 677 HD13 LEU 87 HD13 LEU 87 4.228 -7.998 5.796 678 HD21 LEU 87 HD21 LEU 87 5.503 -6.105 4.013 679 HD22 LEU 87 HD22 LEU 87 4.338 -5.083 3.171 680 HD23 LEU 87 HD23 LEU 87 4.807 -4.705 4.831 681 H LEU 88 HN LEU 88 1.548 -9.541 6.108 682 HA LEU 88 HA LEU 88 -0.413 -7.633 7.127 683 HB2 LEU 88 HB2 LEU 88 0.505 -10.350 8.052 684 HB3 LEU 88 HB3 LEU 88 -0.523 -9.334 9.042 685 HG LEU 88 HG LEU 88 -1.933 -9.369 6.705 686 HD11 LEU 88 HD11 LEU 88 -0.173 -11.723 6.740 687 HD12 LEU 88 HD12 LEU 88 -1.879 -12.044 6.427 688 HD13 LEU 88 HD13 LEU 88 -0.987 -10.927 5.393 689 HD21 LEU 88 HD21 LEU 88 -2.976 -11.511 8.011 690 HD22 LEU 88 HD22 LEU 88 -2.055 -10.725 9.294 691 HD23 LEU 88 HD23 LEU 88 -3.293 -9.824 8.419 692 H GLY 89 HN GLY 89 -0.111 -6.313 8.861 693 HA2 GLY 89 HA2 GLY 89 1.008 -5.188 10.542 694 HA3 GLY 89 HA3 GLY 89 2.109 -6.559 10.652 695 H ALA 90 HN ALA 90 2.450 -3.468 10.421 696 HA ALA 90 HA ALA 90 3.934 -3.318 7.933 697 HB1 ALA 90 HB1 ALA 90 2.601 -1.466 9.539 698 HB2 ALA 90 HB2 ALA 90 4.307 -1.028 9.618 699 HB3 ALA 90 HB3 ALA 90 3.500 -1.156 8.054 700 H ASN 91 HN ASN 91 5.819 -4.245 7.884 701 HA ASN 91 HA ASN 91 7.746 -3.687 10.034 702 HB2 ASN 91 HB2 ASN 91 7.259 -6.235 8.505 703 HB3 ASN 91 HB3 ASN 91 8.818 -5.908 9.253 704 HD21 ASN 91 HD21 ASN 91 6.844 -7.984 9.811 705 HD22 ASN 91 HD22 ASN 91 6.441 -7.810 11.504 706 H ASP 92 HN ASP 92 9.640 -2.741 9.336 707 HA ASP 92 HA ASP 92 9.764 -1.778 6.675 708 HB2 ASP 92 HB2 ASP 92 12.055 -1.037 7.281 709 HB3 ASP 92 HB3 ASP 92 10.860 -0.591 8.496 710 H SER 93 HN SER 93 11.379 -4.414 8.380 711 HA SER 93 HA SER 93 13.027 -5.265 6.236 712 HB2 SER 93 HB2 SER 93 12.165 -6.626 8.784 713 HB3 SER 93 HB3 SER 93 13.368 -7.275 7.677 714 HG SER 93 HG SER 93 13.516 -4.776 9.011 715 H ALA 94 HN ALA 94 9.836 -6.282 7.366 716 HA ALA 94 HA ALA 94 9.732 -8.628 5.744 717 HB1 ALA 94 HB1 ALA 94 7.617 -8.972 6.577 718 HB2 ALA 94 HB2 ALA 94 8.308 -7.959 7.844 719 HB3 ALA 94 HB3 ALA 94 7.241 -7.250 6.630 720 H LEU 95 HN LEU 95 8.605 -5.341 5.410 721 HA LEU 95 HA LEU 95 7.363 -5.797 2.886 722 HB2 LEU 95 HB2 LEU 95 6.510 -3.921 3.908 723 HB3 LEU 95 HB3 LEU 95 8.069 -3.433 4.545 724 HG LEU 95 HG LEU 95 8.508 -3.155 1.892 725 HD11 LEU 95 HD11 LEU 95 5.611 -2.556 2.330 726 HD12 LEU 95 HD12 LEU 95 6.552 -2.065 0.918 727 HD13 LEU 95 HD13 LEU 95 6.309 -3.784 1.265 728 HD21 LEU 95 HD21 LEU 95 7.215 -0.850 3.182 729 HD22 LEU 95 HD22 LEU 95 8.589 -1.575 4.030 730 HD23 LEU 95 HD23 LEU 95 8.784 -0.983 2.370 731 H LYS 96 HN LYS 96 10.557 -5.046 4.057 732 HA LYS 96 HA LYS 96 11.725 -3.944 1.817 733 HB2 LYS 96 HB2 LYS 96 12.848 -4.145 4.000 734 HB3 LYS 96 HB3 LYS 96 12.897 -5.887 3.822 735 HG2 LYS 96 HG2 LYS 96 15.034 -4.640 3.353 736 HG3 LYS 96 HG3 LYS 96 14.503 -5.791 2.127 737 HD2 LYS 96 HD2 LYS 96 13.375 -3.724 1.036 738 HD3 LYS 96 HD3 LYS 96 14.481 -2.799 2.049 739 HE2 LYS 96 HE2 LYS 96 15.690 -5.031 0.593 740 HE3 LYS 96 HE3 LYS 96 15.059 -3.738 -0.421 741 HZ1 LYS 96 HZ1 LYS 96 17.361 -3.332 0.131 742 HZ2 LYS 96 HZ2 LYS 96 17.019 -3.419 1.785 743 HZ3 LYS 96 HZ3 LYS 96 16.386 -2.155 0.857 744 H GLN 97 HN GLN 97 11.439 -7.338 2.783 745 HA GLN 97 HA GLN 97 12.489 -8.332 0.328 746 HB2 GLN 97 HB2 GLN 97 11.926 -10.533 1.147 747 HB3 GLN 97 HB3 GLN 97 12.672 -9.595 2.430 748 HG2 GLN 97 HG2 GLN 97 10.414 -9.153 3.350 749 HG3 GLN 97 HG3 GLN 97 9.746 -10.223 2.118 750 HE21 GLN 97 HE21 GLN 97 11.066 -9.996 5.198 751 HE22 GLN 97 HE22 GLN 97 11.265 -11.681 5.517 752 H LEU 98 HN LEU 98 9.181 -7.676 1.502 753 HA LEU 98 HA LEU 98 7.884 -9.116 -0.562 754 HB2 LEU 98 HB2 LEU 98 6.626 -8.645 1.364 755 HB3 LEU 98 HB3 LEU 98 7.058 -6.946 1.336 756 HG LEU 98 HG LEU 98 5.669 -7.685 -1.065 757 HD11 LEU 98 HD11 LEU 98 4.747 -9.125 1.109 758 HD12 LEU 98 HD12 LEU 98 3.661 -7.738 1.021 759 HD13 LEU 98 HD13 LEU 98 3.862 -8.791 -0.379 760 HD21 LEU 98 HD21 LEU 98 6.066 -5.411 -0.020 761 HD22 LEU 98 HD22 LEU 98 4.446 -5.728 -0.641 762 HD23 LEU 98 HD23 LEU 98 4.758 -5.814 1.093 763 H ILE 99 HN ILE 99 8.647 -5.698 -0.137 764 HA ILE 99 HA ILE 99 7.630 -4.877 -2.647 765 HB ILE 99 HB ILE 99 8.152 -3.602 -0.364 766 HG12 ILE 99 HG12 ILE 99 6.770 -2.709 -2.100 767 HG13 ILE 99 HG13 ILE 99 7.942 -1.480 -1.630 768 HG21 ILE 99 HG21 ILE 99 10.512 -3.626 -0.372 769 HG22 ILE 99 HG22 ILE 99 10.581 -3.042 -2.038 770 HG23 ILE 99 HG23 ILE 99 9.998 -1.987 -0.750 771 HD11 ILE 99 HD11 ILE 99 9.254 -1.900 -3.575 772 HD12 ILE 99 HD12 ILE 99 8.262 -3.298 -3.982 773 HD13 ILE 99 HD13 ILE 99 7.574 -1.679 -4.076 774 H GLU 100 HN GLU 100 10.748 -5.944 -1.501 775 HA GLU 100 HA GLU 100 12.238 -5.149 -3.755 776 HB2 GLU 100 HB2 GLU 100 12.636 -6.901 -1.423 777 HB3 GLU 100 HB3 GLU 100 13.640 -7.255 -2.824 778 HG2 GLU 100 HG2 GLU 100 13.976 -4.613 -2.722 779 HG3 GLU 100 HG3 GLU 100 13.658 -4.926 -1.021 780 H LYS 101 HN LYS 101 10.383 -8.028 -3.044 781 HA LYS 101 HA LYS 101 11.417 -9.675 -5.063 782 HB2 LYS 101 HB2 LYS 101 9.342 -9.713 -3.088 783 HB3 LYS 101 HB3 LYS 101 8.749 -10.385 -4.589 784 HG2 LYS 101 HG2 LYS 101 11.394 -11.324 -3.656 785 HG3 LYS 101 HG3 LYS 101 9.983 -11.848 -2.738 786 HD2 LYS 101 HD2 LYS 101 10.554 -12.297 -5.663 787 HD3 LYS 101 HD3 LYS 101 10.411 -13.505 -4.389 788 HE2 LYS 101 HE2 LYS 101 8.033 -12.738 -4.094 789 HE3 LYS 101 HE3 LYS 101 8.236 -11.820 -5.586 790 HZ1 LYS 101 HZ1 LYS 101 9.009 -14.094 -6.515 791 HZ2 LYS 101 HZ2 LYS 101 7.355 -13.788 -6.341 792 HZ3 LYS 101 HZ3 LYS 101 8.163 -14.735 -5.197 793 H TYR 102 HN TYR 102 8.537 -7.591 -5.032 794 HA TYR 102 HA TYR 102 8.077 -8.272 -7.825 795 HB2 TYR 102 HB2 TYR 102 6.213 -6.410 -6.508 796 HB3 TYR 102 HB3 TYR 102 5.884 -7.817 -7.511 797 HD1 TYR 102 HD2 TYR 102 7.242 -9.941 -6.060 798 HD2 TYR 102 HD1 TYR 102 4.940 -6.689 -4.601 799 HE1 TYR 102 HE2 TYR 102 6.709 -11.243 -4.065 800 HE2 TYR 102 HE1 TYR 102 4.366 -7.996 -2.585 801 HH TYR 102 HH TYR 102 5.999 -10.887 -1.765 802 H ALA 103 HN ALA 103 9.396 -5.835 -5.902 803 HA ALA 103 HA ALA 103 9.186 -3.947 -8.154 804 HB1 ALA 103 HB1 ALA 103 9.009 -2.177 -6.722 805 HB2 ALA 103 HB2 ALA 103 8.168 -3.440 -5.819 806 HB3 ALA 103 HB3 ALA 103 9.834 -3.016 -5.408 807 H ALA 104 HN ALA 104 11.365 -5.416 -5.826 808 HA ALA 104 HA ALA 104 13.601 -4.036 -7.158 809 HB1 ALA 104 HB1 ALA 104 13.866 -5.721 -4.692 810 HB2 ALA 104 HB2 ALA 104 14.974 -4.499 -5.314 811 HB3 ALA 104 HB3 ALA 104 13.422 -4.014 -4.635
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