NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13573 | 1v5l | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 -22.070 3.890 -4.977 2 HA2 GLY 1 1HA GLY 1 -23.490 1.915 -3.517 3 HA3 GLY 1 2HA GLY 1 -22.226 2.611 -2.515 4 H SER 2 H SER 2 -23.917 3.392 -1.132 5 HA SER 2 HA SER 2 -25.338 5.729 -2.229 6 HB2 SER 2 1HB SER 2 -26.831 3.930 -1.420 7 HB3 SER 2 2HB SER 2 -26.085 4.043 0.174 8 HG SER 2 HG SER 2 -27.365 5.645 0.579 9 H SER 3 H SER 3 -23.854 4.495 0.765 10 HA SER 3 HA SER 3 -23.794 6.862 2.202 11 HB2 SER 3 1HB SER 3 -21.973 4.461 2.209 12 HB3 SER 3 2HB SER 3 -21.713 5.818 3.304 13 HG SER 3 HG SER 3 -23.354 3.802 3.638 14 H GLY 4 H GLY 4 -21.341 5.564 -0.024 15 HA2 GLY 4 1HA GLY 4 -20.554 8.168 -0.873 16 HA3 GLY 4 2HA GLY 4 -19.387 7.498 0.257 17 H SER 5 H SER 5 -18.179 7.934 -1.913 18 HA SER 5 HA SER 5 -18.474 5.738 -3.806 19 HB2 SER 5 1HB SER 5 -16.918 8.305 -3.782 20 HB3 SER 5 2HB SER 5 -16.475 7.017 -4.902 21 HG SER 5 HG SER 5 -18.056 8.639 -5.654 22 H SER 6 H SER 6 -17.852 4.182 -2.087 23 HA SER 6 HA SER 6 -15.051 4.168 -1.323 24 HB2 SER 6 1HB SER 6 -16.538 3.462 0.399 25 HB3 SER 6 2HB SER 6 -17.378 2.352 -0.685 26 HG SER 6 HG SER 6 -16.043 0.984 0.242 27 H GLY 7 H GLY 7 -13.813 3.744 -3.097 28 HA2 GLY 7 1HA GLY 7 -14.518 1.574 -4.895 29 HA3 GLY 7 2HA GLY 7 -13.143 2.656 -5.053 30 H ASN 8 H ASN 8 -14.276 -0.368 -3.871 31 HA ASN 8 HA ASN 8 -12.010 -0.974 -2.235 32 HB2 ASN 8 1HB ASN 8 -12.912 -3.313 -2.327 33 HB3 ASN 8 2HB ASN 8 -14.080 -2.113 -1.780 34 HD21 ASN 8 1HD2 ASN 8 -13.194 -4.315 -4.293 35 HD22 ASN 8 2HD2 ASN 8 -14.668 -4.214 -5.189 36 H VAL 9 H VAL 9 -10.183 -2.112 -2.717 37 HA VAL 9 HA VAL 9 -9.847 -3.239 -5.384 38 HB VAL 9 HB VAL 9 -8.037 -1.077 -4.299 39 HG11 VAL 9 1HG1 VAL 9 -6.919 -3.053 -5.456 40 HG12 VAL 9 2HG1 VAL 9 -7.722 -2.500 -6.927 41 HG13 VAL 9 3HG1 VAL 9 -6.573 -1.448 -6.099 42 HG21 VAL 9 1HG2 VAL 9 -9.498 -1.072 -6.921 43 HG22 VAL 9 2HG2 VAL 9 -10.247 -0.468 -5.443 44 HG23 VAL 9 3HG2 VAL 9 -8.774 0.284 -6.057 45 H VAL 10 H VAL 10 -9.363 -5.267 -4.791 46 HA VAL 10 HA VAL 10 -7.311 -5.663 -2.716 47 HB VAL 10 HB VAL 10 -9.169 -7.803 -3.723 48 HG11 VAL 10 1HG1 VAL 10 -8.635 -8.902 -1.652 49 HG12 VAL 10 2HG1 VAL 10 -7.132 -8.440 -2.453 50 HG13 VAL 10 3HG1 VAL 10 -7.733 -7.495 -1.090 51 HG21 VAL 10 1HG2 VAL 10 -10.909 -6.965 -2.622 52 HG22 VAL 10 2HG2 VAL 10 -9.946 -6.764 -1.158 53 HG23 VAL 10 3HG2 VAL 10 -9.982 -5.486 -2.372 54 H LEU 11 H LEU 11 -5.400 -5.722 -3.764 55 HA LEU 11 HA LEU 11 -5.141 -7.132 -6.290 56 HB2 LEU 11 1HB LEU 11 -2.887 -5.920 -4.730 57 HB3 LEU 11 2HB LEU 11 -3.010 -6.181 -6.469 58 HG LEU 11 HG LEU 11 -4.644 -4.161 -4.937 59 HD11 LEU 11 1HD1 LEU 11 -2.195 -3.696 -4.903 60 HD12 LEU 11 2HD1 LEU 11 -3.154 -2.478 -5.743 61 HD13 LEU 11 3HD1 LEU 11 -2.229 -3.661 -6.666 62 HD21 LEU 11 1HD2 LEU 11 -4.247 -4.711 -7.873 63 HD22 LEU 11 2HD2 LEU 11 -4.994 -3.244 -7.239 64 HD23 LEU 11 3HD2 LEU 11 -5.747 -4.813 -6.950 65 HA PRO 12 HA PRO 12 -3.837 -10.940 -4.488 66 HB2 PRO 12 1HB PRO 12 -2.598 -11.999 -6.659 67 HB3 PRO 12 2HB PRO 12 -4.357 -11.893 -6.513 68 HG2 PRO 12 1HG PRO 12 -2.467 -10.102 -7.990 69 HG3 PRO 12 2HG PRO 12 -4.044 -10.730 -8.502 70 HD2 PRO 12 1HD PRO 12 -3.717 -8.217 -7.549 71 HD3 PRO 12 2HD PRO 12 -5.207 -9.147 -7.296 72 H GLY 13 H GLY 13 -2.186 -11.248 -3.138 73 HA2 GLY 13 1HA GLY 13 0.483 -10.278 -3.957 74 HA3 GLY 13 2HA GLY 13 -0.089 -10.278 -2.295 75 HA PRO 14 HA PRO 14 1.481 -10.511 -1.082 76 HB2 PRO 14 1HB PRO 14 4.121 -11.022 -0.707 77 HB3 PRO 14 2HB PRO 14 2.850 -11.773 0.265 78 HG2 PRO 14 1HG PRO 14 4.350 -12.883 -2.076 79 HG3 PRO 14 2HG PRO 14 3.913 -13.674 -0.550 80 HD2 PRO 14 1HD PRO 14 2.524 -14.062 -2.842 81 HD3 PRO 14 2HD PRO 14 1.756 -14.099 -1.242 82 H ALA 15 H ALA 15 3.685 -9.071 -1.250 83 HA ALA 15 HA ALA 15 3.533 -7.834 -3.791 84 HB1 ALA 15 1HB ALA 15 5.916 -7.078 -2.384 85 HB2 ALA 15 2HB ALA 15 4.452 -6.142 -2.689 86 HB3 ALA 15 3HB ALA 15 4.556 -7.178 -1.265 87 HA PRO 16 HA PRO 16 5.449 -6.217 -4.447 88 HB2 PRO 16 1HB PRO 16 5.910 -5.832 -7.095 89 HB3 PRO 16 2HB PRO 16 7.203 -5.868 -5.890 90 HG2 PRO 16 1HG PRO 16 6.280 -8.031 -7.743 91 HG3 PRO 16 2HG PRO 16 7.934 -7.550 -7.319 92 HD2 PRO 16 1HD PRO 16 6.710 -9.696 -6.209 93 HD3 PRO 16 2HD PRO 16 7.894 -8.710 -5.327 94 H TRP 17 H TRP 17 3.860 -4.917 -5.645 95 HA TRP 17 HA TRP 17 1.577 -6.573 -6.452 96 HB2 TRP 17 1HB TRP 17 1.573 -3.632 -5.755 97 HB3 TRP 17 2HB TRP 17 0.176 -4.694 -5.911 98 HD1 TRP 17 HD TRP 17 2.723 -3.499 -3.427 99 HE1 TRP 17 1HE TRP 17 2.296 -4.611 -1.145 100 HE3 TRP 17 3HE TRP 17 -0.686 -7.026 -4.868 101 HZ2 TRP 17 2HZ TRP 17 0.724 -6.707 -0.095 102 HZ3 TRP 17 3HZ TRP 17 -1.602 -8.546 -3.163 103 HH2 TRP 17 HH TRP 17 -0.910 -8.388 -0.827 104 H GLY 18 H GLY 18 3.294 -3.604 -7.421 105 HA2 GLY 18 1HA GLY 18 3.923 -3.530 -9.829 106 HA3 GLY 18 2HA GLY 18 2.280 -4.057 -10.161 107 H PHE 19 H PHE 19 1.880 -2.083 -7.641 108 HA PHE 19 HA PHE 19 1.360 0.225 -9.382 109 HB2 PHE 19 1HB PHE 19 -0.411 0.820 -7.983 110 HB3 PHE 19 2HB PHE 19 -0.482 -0.939 -7.972 111 HD1 PHE 19 2HD PHE 19 0.197 -2.200 -6.003 112 HD2 PHE 19 1HD PHE 19 0.207 2.056 -6.024 113 HE1 PHE 19 2HE PHE 19 0.346 -2.192 -3.547 114 HE2 PHE 19 1HE PHE 19 0.357 2.071 -3.568 115 HZ PHE 19 HZ PHE 19 0.425 -0.054 -2.326 116 H ARG 20 H ARG 20 1.870 2.342 -8.675 117 HA ARG 20 HA ARG 20 4.112 2.412 -6.772 118 HB2 ARG 20 1HB ARG 20 3.470 4.551 -8.791 119 HB3 ARG 20 2HB ARG 20 4.989 4.260 -7.954 120 HG2 ARG 20 1HG ARG 20 3.777 2.440 -10.024 121 HG3 ARG 20 2HG ARG 20 5.066 3.609 -10.319 122 HD2 ARG 20 1HD ARG 20 5.261 1.385 -8.297 123 HD3 ARG 20 2HD ARG 20 5.818 1.236 -9.963 124 HE ARG 20 HE ARG 20 7.034 3.496 -8.973 125 HH11 ARG 20 2HH1 ARG 20 6.942 0.114 -8.149 126 HH12 ARG 20 1HH1 ARG 20 8.540 0.100 -7.480 127 HH21 ARG 20 2HH2 ARG 20 9.139 3.490 -8.095 128 HH22 ARG 20 1HH2 ARG 20 9.789 2.021 -7.449 129 H LEU 21 H LEU 21 4.352 4.742 -5.807 130 HA LEU 21 HA LEU 21 1.726 5.771 -4.996 131 HB2 LEU 21 1HB LEU 21 2.993 6.078 -2.688 132 HB3 LEU 21 2HB LEU 21 2.080 4.622 -3.079 133 HG LEU 21 HG LEU 21 4.167 3.486 -3.689 134 HD11 LEU 21 1HD1 LEU 21 6.319 4.532 -3.161 135 HD12 LEU 21 2HD1 LEU 21 5.487 6.040 -2.781 136 HD13 LEU 21 3HD1 LEU 21 5.455 5.406 -4.427 137 HD21 LEU 21 1HD2 LEU 21 5.081 3.287 -1.434 138 HD22 LEU 21 2HD2 LEU 21 3.318 3.313 -1.406 139 HD23 LEU 21 3HD2 LEU 21 4.229 4.754 -0.952 140 H SER 22 H SER 22 1.695 7.954 -4.351 141 HA SER 22 HA SER 22 4.151 9.498 -4.533 142 HB2 SER 22 1HB SER 22 3.041 9.232 -6.873 143 HB3 SER 22 2HB SER 22 1.849 10.375 -6.256 144 HG SER 22 HG SER 22 4.626 10.887 -6.129 145 H GLY 23 H GLY 23 4.092 11.377 -3.370 146 HA2 GLY 23 1HA GLY 23 3.069 13.178 -2.244 147 HA3 GLY 23 2HA GLY 23 1.522 12.358 -2.383 148 H GLY 24 H GLY 24 1.057 12.688 -0.186 149 HA2 GLY 24 1HA GLY 24 1.271 10.749 1.600 150 HA3 GLY 24 2HA GLY 24 2.855 11.488 1.779 151 H ILE 25 H ILE 25 0.739 11.266 3.753 152 HA ILE 25 HA ILE 25 -0.657 13.680 4.090 153 HB ILE 25 HB ILE 25 -0.809 13.028 6.495 154 HG12 ILE 25 1HG1 ILE 25 0.650 10.512 5.714 155 HG13 ILE 25 2HG1 ILE 25 1.499 11.888 6.409 156 HG21 ILE 25 1HG2 ILE 25 -1.885 11.759 4.222 157 HG22 ILE 25 2HG2 ILE 25 -1.537 10.493 5.398 158 HG23 ILE 25 3HG2 ILE 25 -2.572 11.850 5.844 159 HD11 ILE 25 1HD1 ILE 25 0.375 11.685 8.451 160 HD12 ILE 25 2HD1 ILE 25 -0.857 10.626 7.764 161 HD13 ILE 25 3HD1 ILE 25 0.790 10.036 7.986 162 H ASP 26 H ASP 26 2.648 12.862 4.601 163 HA ASP 26 HA ASP 26 3.190 15.037 6.419 164 HB2 ASP 26 1HB ASP 26 5.350 14.210 6.562 165 HB3 ASP 26 2HB ASP 26 4.445 12.751 6.168 166 H PHE 27 H PHE 27 3.499 14.392 2.979 167 HA PHE 27 HA PHE 27 4.870 16.894 2.484 168 HB2 PHE 27 1HB PHE 27 3.808 14.767 0.616 169 HB3 PHE 27 2HB PHE 27 4.672 16.206 0.083 170 HD1 PHE 27 2HD PHE 27 7.044 16.548 0.889 171 HD2 PHE 27 1HD PHE 27 4.959 12.862 1.314 172 HE1 PHE 27 2HE PHE 27 9.185 15.377 1.198 173 HE2 PHE 27 1HE PHE 27 7.097 11.684 1.625 174 HZ PHE 27 HZ PHE 27 9.214 12.942 1.566 175 H ASN 28 H ASN 28 1.900 16.417 3.421 176 HA ASN 28 HA ASN 28 -0.066 17.547 3.252 177 HB2 ASN 28 1HB ASN 28 1.724 19.470 1.761 178 HB3 ASN 28 2HB ASN 28 0.030 19.809 2.105 179 HD21 ASN 28 1HD2 ASN 28 2.624 21.018 3.009 180 HD22 ASN 28 2HD2 ASN 28 2.500 21.064 4.732 181 H GLN 29 H GLN 29 0.589 15.498 1.320 182 HA GLN 29 HA GLN 29 -1.346 16.247 -0.738 183 HB2 GLN 29 1HB GLN 29 1.469 15.338 -1.229 184 HB3 GLN 29 2HB GLN 29 0.203 14.949 -2.386 185 HG2 GLN 29 1HG GLN 29 -0.194 17.211 -2.874 186 HG3 GLN 29 2HG GLN 29 0.713 17.757 -1.465 187 HE21 GLN 29 1HE2 GLN 29 1.008 16.190 -4.601 188 HE22 GLN 29 2HE2 GLN 29 2.643 16.668 -4.892 189 HA PRO 30 HA PRO 30 -2.963 12.244 0.092 190 HB2 PRO 30 1HB PRO 30 -4.290 11.794 -2.233 191 HB3 PRO 30 2HB PRO 30 -4.856 12.937 -1.010 192 HG2 PRO 30 1HG PRO 30 -3.348 13.465 -3.541 193 HG3 PRO 30 2HG PRO 30 -4.722 14.349 -2.852 194 HD2 PRO 30 1HD PRO 30 -2.167 15.215 -2.617 195 HD3 PRO 30 2HD PRO 30 -3.394 15.508 -1.368 196 H LEU 31 H LEU 31 -2.453 10.118 -0.205 197 HA LEU 31 HA LEU 31 -0.144 9.514 -1.789 198 HB2 LEU 31 1HB LEU 31 -1.969 7.737 -0.177 199 HB3 LEU 31 2HB LEU 31 -0.461 7.215 -0.924 200 HG LEU 31 HG LEU 31 -0.531 9.428 1.106 201 HD11 LEU 31 1HD1 LEU 31 0.171 7.627 2.735 202 HD12 LEU 31 2HD1 LEU 31 -0.444 6.459 1.567 203 HD13 LEU 31 3HD1 LEU 31 -1.534 7.646 2.283 204 HD21 LEU 31 1HD2 LEU 31 1.811 8.594 1.461 205 HD22 LEU 31 2HD2 LEU 31 1.506 9.324 -0.116 206 HD23 LEU 31 3HD2 LEU 31 1.586 7.568 0.044 207 H VAL 32 H VAL 32 -0.572 9.655 -3.949 208 HA VAL 32 HA VAL 32 -2.742 7.975 -5.014 209 HB VAL 32 HB VAL 32 -2.575 9.293 -7.074 210 HG11 VAL 32 1HG1 VAL 32 -2.771 11.339 -4.917 211 HG12 VAL 32 2HG1 VAL 32 -3.821 11.061 -6.308 212 HG13 VAL 32 3HG1 VAL 32 -3.899 9.983 -4.914 213 HG21 VAL 32 1HG2 VAL 32 -0.672 10.352 -7.521 214 HG22 VAL 32 2HG2 VAL 32 -1.121 11.551 -6.308 215 HG23 VAL 32 3HG2 VAL 32 -0.115 10.174 -5.857 216 H ILE 33 H ILE 33 -2.229 7.094 -7.268 217 HA ILE 33 HA ILE 33 0.224 5.565 -7.057 218 HB ILE 33 HB ILE 33 -2.035 5.439 -9.055 219 HG12 ILE 33 1HG1 ILE 33 -1.273 3.352 -7.026 220 HG13 ILE 33 2HG1 ILE 33 -2.336 4.688 -6.599 221 HG21 ILE 33 1HG2 ILE 33 -0.819 4.111 -10.356 222 HG22 ILE 33 2HG2 ILE 33 0.589 4.542 -9.388 223 HG23 ILE 33 3HG2 ILE 33 -0.352 3.107 -8.984 224 HD11 ILE 33 1HD1 ILE 33 -3.080 2.263 -7.686 225 HD12 ILE 33 2HD1 ILE 33 -4.077 3.713 -7.563 226 HD13 ILE 33 3HD1 ILE 33 -3.173 3.387 -9.041 227 H THR 34 H THR 34 2.003 5.776 -8.293 228 HA THR 34 HA THR 34 2.202 8.133 -9.974 229 HB THR 34 HB THR 34 4.451 8.053 -9.666 230 HG1 THR 34 1HG THR 34 5.618 6.050 -9.580 231 HG21 THR 34 1HG2 THR 34 4.290 6.069 -7.512 232 HG22 THR 34 2HG2 THR 34 3.067 7.336 -7.423 233 HG23 THR 34 3HG2 THR 34 4.777 7.763 -7.459 234 H ARG 35 H ARG 35 2.322 4.628 -10.299 235 HA ARG 35 HA ARG 35 1.681 4.811 -13.092 236 HB2 ARG 35 1HB ARG 35 4.277 5.040 -12.784 237 HB3 ARG 35 2HB ARG 35 4.204 3.302 -12.523 238 HG2 ARG 35 1HG ARG 35 2.839 4.400 -14.917 239 HG3 ARG 35 2HG ARG 35 4.603 4.349 -14.914 240 HD2 ARG 35 1HD ARG 35 4.284 1.900 -14.133 241 HD3 ARG 35 2HD ARG 35 2.643 2.092 -14.749 242 HE ARG 35 HE ARG 35 3.471 2.040 -16.890 243 HH11 ARG 35 2HH1 ARG 35 6.093 2.463 -14.640 244 HH12 ARG 35 1HH1 ARG 35 7.327 2.227 -15.832 245 HH21 ARG 35 2HH2 ARG 35 5.086 1.727 -18.469 246 HH22 ARG 35 1HH2 ARG 35 6.754 1.809 -18.011 247 H ILE 36 H ILE 36 1.049 2.798 -13.997 248 HA ILE 36 HA ILE 36 0.674 0.655 -12.007 249 HB ILE 36 HB ILE 36 -1.233 1.573 -14.157 250 HG12 ILE 36 1HG1 ILE 36 -1.251 2.859 -12.043 251 HG13 ILE 36 2HG1 ILE 36 -2.754 1.979 -12.298 252 HG21 ILE 36 1HG2 ILE 36 -1.529 -0.701 -14.297 253 HG22 ILE 36 2HG2 ILE 36 -1.094 -0.970 -12.610 254 HG23 ILE 36 3HG2 ILE 36 -2.670 -0.292 -13.017 255 HD11 ILE 36 1HD1 ILE 36 -1.885 0.210 -10.776 256 HD12 ILE 36 2HD1 ILE 36 -0.516 1.266 -10.425 257 HD13 ILE 36 3HD1 ILE 36 -2.152 1.775 -10.009 258 H THR 37 H THR 37 1.220 -1.371 -12.589 259 HA THR 37 HA THR 37 2.856 -1.804 -14.840 260 HB THR 37 HB THR 37 1.455 -3.891 -13.158 261 HG1 THR 37 1HG THR 37 3.634 -2.237 -12.696 262 HG21 THR 37 1HG2 THR 37 4.105 -4.364 -14.395 263 HG22 THR 37 2HG2 THR 37 2.713 -4.353 -15.478 264 HG23 THR 37 3HG2 THR 37 2.766 -5.478 -14.122 265 HA PRO 38 HA PRO 38 -0.420 -2.296 -17.839 266 HB2 PRO 38 1HB PRO 38 1.229 -2.699 -19.958 267 HB3 PRO 38 2HB PRO 38 0.915 -1.099 -19.275 268 HG2 PRO 38 1HG PRO 38 3.248 -2.922 -18.834 269 HG3 PRO 38 2HG PRO 38 3.233 -1.169 -19.097 270 HD2 PRO 38 1HD PRO 38 3.498 -2.271 -16.638 271 HD3 PRO 38 2HD PRO 38 2.680 -0.718 -16.905 272 H GLY 39 H GLY 39 -1.498 -4.177 -17.679 273 HA2 GLY 39 1HA GLY 39 -2.034 -6.364 -18.197 274 HA3 GLY 39 2HA GLY 39 -0.487 -6.503 -19.020 275 H SER 40 H SER 40 -1.748 -6.166 -15.701 276 HA SER 40 HA SER 40 -0.486 -8.574 -14.841 277 HB2 SER 40 1HB SER 40 1.339 -7.821 -13.661 278 HB3 SER 40 2HB SER 40 1.336 -6.638 -14.969 279 HG SER 40 HG SER 40 0.072 -5.285 -13.533 280 H LYS 41 H LYS 41 -0.392 -8.370 -12.202 281 HA LYS 41 HA LYS 41 -3.047 -8.392 -11.373 282 HB2 LYS 41 1HB LYS 41 -0.544 -8.009 -9.720 283 HB3 LYS 41 2HB LYS 41 -2.129 -8.393 -9.062 284 HG2 LYS 41 1HG LYS 41 -2.108 -10.546 -9.922 285 HG3 LYS 41 2HG LYS 41 -0.870 -10.159 -11.120 286 HD2 LYS 41 1HD LYS 41 0.779 -9.912 -9.316 287 HD3 LYS 41 2HD LYS 41 -0.463 -10.329 -8.133 288 HE2 LYS 41 1HE LYS 41 -0.751 -12.477 -9.537 289 HE3 LYS 41 2HE LYS 41 0.822 -12.060 -10.217 290 HZ1 LYS 41 1HZ LYS 41 1.881 -12.512 -8.285 291 HZ2 LYS 41 2HZ LYS 41 0.565 -13.551 -8.066 292 HZ3 LYS 41 3HZ LYS 41 0.583 -12.039 -7.309 293 H ALA 42 H ALA 42 -0.860 -5.754 -11.735 294 HA ALA 42 HA ALA 42 -2.196 -3.943 -9.967 295 HB1 ALA 42 1HB ALA 42 -0.587 -2.434 -10.522 296 HB2 ALA 42 2HB ALA 42 0.242 -3.912 -11.014 297 HB3 ALA 42 3HB ALA 42 -0.566 -2.910 -12.220 298 H ALA 43 H ALA 43 -1.795 -3.654 -13.496 299 HA ALA 43 HA ALA 43 -3.959 -1.910 -13.850 300 HB1 ALA 43 1HB ALA 43 -3.691 -2.276 -16.205 301 HB2 ALA 43 2HB ALA 43 -2.093 -2.236 -15.459 302 HB3 ALA 43 3HB ALA 43 -2.813 -3.778 -15.918 303 H ALA 44 H ALA 44 -3.745 -5.431 -14.100 304 HA ALA 44 HA ALA 44 -6.295 -5.922 -15.144 305 HB1 ALA 44 1HB ALA 44 -4.349 -7.545 -14.854 306 HB2 ALA 44 2HB ALA 44 -4.927 -7.758 -13.201 307 HB3 ALA 44 3HB ALA 44 -5.972 -8.169 -14.561 308 H ALA 45 H ALA 45 -5.386 -4.714 -12.109 309 HA ALA 45 HA ALA 45 -7.851 -5.607 -10.809 310 HB1 ALA 45 1HB ALA 45 -6.343 -5.829 -9.158 311 HB2 ALA 45 2HB ALA 45 -5.228 -4.668 -9.879 312 HB3 ALA 45 3HB ALA 45 -6.606 -4.099 -8.937 313 H ASN 46 H ASN 46 -7.462 -3.451 -12.983 314 HA ASN 46 HA ASN 46 -8.513 -1.518 -13.564 315 HB2 ASN 46 1HB ASN 46 -9.972 -1.590 -10.927 316 HB3 ASN 46 2HB ASN 46 -10.509 -0.895 -12.454 317 HD21 ASN 46 1HD2 ASN 46 -10.554 -3.598 -10.448 318 HD22 ASN 46 2HD2 ASN 46 -11.319 -4.702 -11.535 319 H LEU 47 H LEU 47 -6.016 -1.468 -12.149 320 HA LEU 47 HA LEU 47 -6.172 0.831 -10.374 321 HB2 LEU 47 1HB LEU 47 -3.811 -0.797 -11.304 322 HB3 LEU 47 2HB LEU 47 -3.748 0.495 -10.107 323 HG LEU 47 HG LEU 47 -5.282 -2.084 -9.786 324 HD11 LEU 47 1HD1 LEU 47 -3.523 -3.004 -8.696 325 HD12 LEU 47 2HD1 LEU 47 -2.913 -1.448 -8.132 326 HD13 LEU 47 3HD1 LEU 47 -2.620 -1.959 -9.794 327 HD21 LEU 47 1HD2 LEU 47 -6.375 -0.722 -8.336 328 HD22 LEU 47 2HD2 LEU 47 -5.019 0.396 -8.187 329 HD23 LEU 47 3HD2 LEU 47 -5.000 -1.137 -7.312 330 H CYS 48 H CYS 48 -5.259 2.832 -10.781 331 HA CYS 48 HA CYS 48 -3.998 3.340 -13.346 332 HB2 CYS 48 1HB CYS 48 -6.135 3.732 -14.157 333 HB3 CYS 48 2HB CYS 48 -6.726 4.325 -12.609 334 HG CYS 48 HG CYS 48 -6.051 6.101 -15.127 335 HA PRO 49 HA PRO 49 -1.720 6.181 -10.876 336 HB2 PRO 49 1HB PRO 49 -0.703 7.747 -12.847 337 HB3 PRO 49 2HB PRO 49 -0.126 6.106 -12.529 338 HG2 PRO 49 1HG PRO 49 -2.051 7.067 -14.611 339 HG3 PRO 49 2HG PRO 49 -0.726 5.898 -14.766 340 HD2 PRO 49 1HD PRO 49 -3.313 5.142 -14.507 341 HD3 PRO 49 2HD PRO 49 -1.968 4.181 -13.861 342 H GLY 50 H GLY 50 -3.231 7.358 -9.718 343 HA2 GLY 50 1HA GLY 50 -3.481 10.007 -9.891 344 HA3 GLY 50 2HA GLY 50 -4.710 9.491 -11.037 345 H ASP 51 H ASP 51 -5.073 7.032 -9.239 346 HA ASP 51 HA ASP 51 -7.326 7.975 -7.841 347 HB2 ASP 51 1HB ASP 51 -5.814 5.407 -7.946 348 HB3 ASP 51 2HB ASP 51 -6.941 5.646 -6.613 349 H VAL 52 H VAL 52 -7.705 7.991 -5.542 350 HA VAL 52 HA VAL 52 -5.334 8.888 -4.056 351 HB VAL 52 HB VAL 52 -8.268 9.426 -3.596 352 HG11 VAL 52 1HG1 VAL 52 -7.381 9.261 -1.430 353 HG12 VAL 52 2HG1 VAL 52 -5.869 10.044 -1.897 354 HG13 VAL 52 3HG1 VAL 52 -7.357 10.986 -1.796 355 HG21 VAL 52 1HG2 VAL 52 -6.143 10.799 -5.003 356 HG22 VAL 52 2HG2 VAL 52 -7.879 11.110 -5.005 357 HG23 VAL 52 3HG2 VAL 52 -6.858 11.811 -3.749 358 H ILE 53 H ILE 53 -4.507 7.571 -2.584 359 HA ILE 53 HA ILE 53 -5.875 5.176 -1.784 360 HB ILE 53 HB ILE 53 -3.261 6.312 -0.782 361 HG12 ILE 53 1HG1 ILE 53 -3.634 5.636 -3.307 362 HG13 ILE 53 2HG1 ILE 53 -2.159 5.178 -2.462 363 HG21 ILE 53 1HG2 ILE 53 -3.660 4.767 0.823 364 HG22 ILE 53 2HG2 ILE 53 -4.779 3.849 -0.184 365 HG23 ILE 53 3HG2 ILE 53 -3.039 3.670 -0.409 366 HD11 ILE 53 1HD1 ILE 53 -3.666 3.477 -3.888 367 HD12 ILE 53 2HD1 ILE 53 -2.651 2.988 -2.531 368 HD13 ILE 53 3HD1 ILE 53 -4.377 3.255 -2.290 369 H LEU 54 H LEU 54 -7.677 5.787 -0.602 370 HA LEU 54 HA LEU 54 -7.630 7.638 1.536 371 HB2 LEU 54 1HB LEU 54 -9.534 5.416 0.834 372 HB3 LEU 54 2HB LEU 54 -9.800 6.531 2.174 373 HG LEU 54 HG LEU 54 -9.543 7.383 -0.707 374 HD11 LEU 54 1HD1 LEU 54 -11.535 5.889 -0.114 375 HD12 LEU 54 2HD1 LEU 54 -11.869 7.438 -0.886 376 HD13 LEU 54 3HD1 LEU 54 -12.101 7.252 0.852 377 HD21 LEU 54 1HD2 LEU 54 -10.939 9.036 1.286 378 HD22 LEU 54 2HD2 LEU 54 -9.838 9.503 -0.010 379 HD23 LEU 54 3HD2 LEU 54 -9.197 8.885 1.513 380 H ALA 55 H ALA 55 -7.422 4.101 1.425 381 HA ALA 55 HA ALA 55 -6.085 4.132 4.013 382 HB1 ALA 55 1HB ALA 55 -7.540 2.721 5.133 383 HB2 ALA 55 2HB ALA 55 -8.640 3.788 4.258 384 HB3 ALA 55 3HB ALA 55 -8.310 2.167 3.646 385 H ILE 56 H ILE 56 -4.663 2.444 4.315 386 HA ILE 56 HA ILE 56 -4.217 0.751 1.955 387 HB ILE 56 HB ILE 56 -2.322 1.513 4.179 388 HG12 ILE 56 1HG1 ILE 56 -2.262 2.231 1.242 389 HG13 ILE 56 2HG1 ILE 56 -2.877 3.291 2.506 390 HG21 ILE 56 1HG2 ILE 56 -2.262 -0.791 2.668 391 HG22 ILE 56 2HG2 ILE 56 -1.167 0.291 1.809 392 HG23 ILE 56 3HG2 ILE 56 -0.895 -0.067 3.514 393 HD11 ILE 56 1HD1 ILE 56 -0.801 3.764 3.306 394 HD12 ILE 56 2HD1 ILE 56 -0.126 2.218 2.790 395 HD13 ILE 56 3HD1 ILE 56 -0.417 3.492 1.606 396 H ASP 57 H ASP 57 -4.341 -1.411 2.073 397 HA ASP 57 HA ASP 57 -5.038 -3.432 2.895 398 HB2 ASP 57 1HB ASP 57 -2.642 -3.377 3.515 399 HB3 ASP 57 2HB ASP 57 -3.077 -2.685 5.075 400 H GLY 58 H GLY 58 -6.855 -1.448 3.555 401 HA2 GLY 58 1HA GLY 58 -8.735 -1.242 4.870 402 HA3 GLY 58 2HA GLY 58 -8.205 -2.667 5.752 403 H PHE 59 H PHE 59 -6.149 0.126 5.430 404 HA PHE 59 HA PHE 59 -6.819 0.985 8.152 405 HB2 PHE 59 1HB PHE 59 -4.024 0.376 7.167 406 HB3 PHE 59 2HB PHE 59 -4.404 1.148 8.703 407 HD1 PHE 59 2HD PHE 59 -6.397 -0.296 9.972 408 HD2 PHE 59 1HD PHE 59 -3.376 -1.802 7.379 409 HE1 PHE 59 2HE PHE 59 -6.593 -2.507 11.034 410 HE2 PHE 59 1HE PHE 59 -3.567 -4.016 8.436 411 HZ PHE 59 HZ PHE 59 -5.176 -4.370 10.267 412 H GLY 60 H GLY 60 -7.539 2.994 7.780 413 HA2 GLY 60 1HA GLY 60 -7.006 4.688 5.701 414 HA3 GLY 60 2HA GLY 60 -7.409 5.247 7.318 415 H THR 61 H THR 61 -5.641 6.470 5.358 416 HA THR 61 HA THR 61 -3.017 6.182 6.639 417 HB THR 61 HB THR 61 -2.045 7.231 4.741 418 HG1 THR 61 1HG THR 61 -4.550 8.298 4.460 419 HG21 THR 61 1HG2 THR 61 -3.838 5.863 2.991 420 HG22 THR 61 2HG2 THR 61 -3.679 4.933 4.481 421 HG23 THR 61 3HG2 THR 61 -2.244 5.360 3.550 422 H GLU 62 H GLU 62 -4.906 7.448 8.195 423 HA GLU 62 HA GLU 62 -4.913 10.269 7.896 424 HB2 GLU 62 1HB GLU 62 -5.731 10.285 10.240 425 HB3 GLU 62 2HB GLU 62 -6.636 9.195 9.198 426 HG2 GLU 62 1HG GLU 62 -6.371 7.883 11.040 427 HG3 GLU 62 2HG GLU 62 -4.948 7.415 10.111 428 H SER 63 H SER 63 -2.842 8.009 9.622 429 HA SER 63 HA SER 63 -1.014 10.242 10.207 430 HB2 SER 63 1HB SER 63 -2.252 9.227 12.225 431 HB3 SER 63 2HB SER 63 -1.233 7.810 11.973 432 HG SER 63 HG SER 63 -0.228 10.442 12.301 433 H MET 64 H MET 64 -1.167 8.291 7.970 434 HA MET 64 HA MET 64 1.411 6.923 8.368 435 HB2 MET 64 1HB MET 64 0.014 5.188 7.820 436 HB3 MET 64 2HB MET 64 -1.051 6.205 6.858 437 HG2 MET 64 1HG MET 64 0.188 5.961 4.968 438 HG3 MET 64 2HG MET 64 1.697 5.745 5.851 439 HE1 MET 64 1HE MET 64 -1.844 3.706 5.278 440 HE2 MET 64 2HE MET 64 -1.341 2.388 6.336 441 HE3 MET 64 3HE MET 64 -1.421 4.037 6.958 442 H THR 65 H THR 65 2.969 8.221 7.612 443 HA THR 65 HA THR 65 2.553 9.989 5.383 444 HB THR 65 HB THR 65 4.729 10.808 5.763 445 HG1 THR 65 1HG THR 65 5.201 8.317 7.050 446 HG21 THR 65 1HG2 THR 65 2.974 10.960 7.698 447 HG22 THR 65 2HG2 THR 65 4.633 11.493 7.968 448 HG23 THR 65 3HG2 THR 65 4.109 9.911 8.546 449 H HIS 66 H HIS 66 4.252 10.016 3.593 450 HA HIS 66 HA HIS 66 3.967 7.850 1.934 451 HB2 HIS 66 1HB HIS 66 4.934 10.223 1.476 452 HB3 HIS 66 2HB HIS 66 6.488 9.479 1.842 453 HD1 HIS 66 1HD HIS 66 3.535 8.740 -0.451 454 HD2 HIS 66 2HD HIS 66 7.680 8.485 -0.363 455 HE1 HIS 66 1HE HIS 66 4.204 7.891 -2.722 456 HE2 HIS 66 2HE HIS 66 6.710 7.663 -2.616 457 H ALA 67 H ALA 67 6.754 8.554 4.033 458 HA ALA 67 HA ALA 67 8.282 6.309 3.390 459 HB1 ALA 67 1HB ALA 67 8.983 6.730 5.965 460 HB2 ALA 67 2HB ALA 67 9.576 7.690 4.609 461 HB3 ALA 67 3HB ALA 67 8.223 8.274 5.578 462 H ASP 68 H ASP 68 5.689 6.727 5.742 463 HA ASP 68 HA ASP 68 6.000 4.211 7.011 464 HB2 ASP 68 1HB ASP 68 3.823 6.266 6.897 465 HB3 ASP 68 2HB ASP 68 3.487 4.686 7.598 466 H ALA 69 H ALA 69 4.018 5.334 4.308 467 HA ALA 69 HA ALA 69 2.394 3.141 3.910 468 HB1 ALA 69 1HB ALA 69 1.972 5.027 2.586 469 HB2 ALA 69 2HB ALA 69 3.624 5.072 1.968 470 HB3 ALA 69 3HB ALA 69 2.522 3.798 1.447 471 H GLN 70 H GLN 70 5.767 3.583 2.997 472 HA GLN 70 HA GLN 70 6.006 1.292 1.369 473 HB2 GLN 70 1HB GLN 70 8.200 2.545 3.021 474 HB3 GLN 70 2HB GLN 70 8.380 1.595 1.552 475 HG2 GLN 70 1HG GLN 70 6.764 4.080 1.418 476 HG3 GLN 70 2HG GLN 70 8.517 4.226 1.540 477 HE21 GLN 70 1HE2 GLN 70 7.575 5.246 -0.646 478 HE22 GLN 70 2HE2 GLN 70 7.801 4.222 -2.019 479 H ASP 71 H ASP 71 6.211 1.785 4.828 480 HA ASP 71 HA ASP 71 7.115 -0.944 5.283 481 HB2 ASP 71 1HB ASP 71 7.739 1.254 6.625 482 HB3 ASP 71 2HB ASP 71 6.271 0.854 7.513 483 H ARG 72 H ARG 72 4.197 0.725 4.933 484 HA ARG 72 HA ARG 72 2.685 -1.178 6.559 485 HB2 ARG 72 1HB ARG 72 2.126 1.488 5.365 486 HB3 ARG 72 2HB ARG 72 0.767 0.387 5.552 487 HG2 ARG 72 1HG ARG 72 2.557 0.799 7.883 488 HG3 ARG 72 2HG ARG 72 1.448 2.097 7.439 489 HD2 ARG 72 1HD ARG 72 0.628 0.370 9.134 490 HD3 ARG 72 2HD ARG 72 -0.439 0.760 7.785 491 HE ARG 72 HE ARG 72 -0.143 -1.374 6.958 492 HH11 ARG 72 2HH1 ARG 72 2.067 -0.785 9.583 493 HH12 ARG 72 1HH1 ARG 72 2.542 -2.445 9.729 494 HH21 ARG 72 2HH2 ARG 72 0.473 -3.563 7.141 495 HH22 ARG 72 1HH2 ARG 72 1.635 -4.024 8.339 496 H ILE 73 H ILE 73 3.475 -0.453 3.275 497 HA ILE 73 HA ILE 73 1.329 -2.066 2.179 498 HB ILE 73 HB ILE 73 3.654 -0.663 0.864 499 HG12 ILE 73 1HG1 ILE 73 0.755 -0.048 0.424 500 HG13 ILE 73 2HG1 ILE 73 1.555 0.555 1.871 501 HG21 ILE 73 1HG2 ILE 73 2.676 -1.248 -1.269 502 HG22 ILE 73 2HG2 ILE 73 3.032 -2.712 -0.354 503 HG23 ILE 73 3HG2 ILE 73 1.374 -2.122 -0.462 504 HD11 ILE 73 1HD1 ILE 73 1.453 2.085 -0.160 505 HD12 ILE 73 2HD1 ILE 73 3.013 1.897 0.641 506 HD13 ILE 73 3HD1 ILE 73 2.683 1.034 -0.861 507 H LYS 74 H LYS 74 4.833 -2.266 2.602 508 HA LYS 74 HA LYS 74 5.152 -4.743 1.253 509 HB2 LYS 74 1HB LYS 74 7.376 -4.753 2.115 510 HB3 LYS 74 2HB LYS 74 6.978 -3.081 1.739 511 HG2 LYS 74 1HG LYS 74 6.546 -2.636 4.089 512 HG3 LYS 74 2HG LYS 74 6.891 -4.322 4.483 513 HD2 LYS 74 1HD LYS 74 8.922 -2.660 3.042 514 HD3 LYS 74 2HD LYS 74 8.747 -2.530 4.794 515 HE2 LYS 74 1HE LYS 74 9.217 -5.112 3.308 516 HE3 LYS 74 2HE LYS 74 10.487 -4.154 4.069 517 HZ1 LYS 74 1HZ LYS 74 9.921 -4.873 6.095 518 HZ2 LYS 74 2HZ LYS 74 9.140 -6.132 5.281 519 HZ3 LYS 74 3HZ LYS 74 8.259 -4.783 5.795 520 H ALA 75 H ALA 75 4.445 -3.854 4.575 521 HA ALA 75 HA ALA 75 4.671 -6.594 5.504 522 HB1 ALA 75 1HB ALA 75 5.362 -4.660 6.909 523 HB2 ALA 75 2HB ALA 75 3.665 -4.187 7.013 524 HB3 ALA 75 3HB ALA 75 4.194 -5.729 7.686 525 H ALA 76 H ALA 76 2.580 -5.524 3.512 526 HA ALA 76 HA ALA 76 0.048 -5.731 4.770 527 HB1 ALA 76 1HB ALA 76 0.588 -4.660 2.528 528 HB2 ALA 76 2HB ALA 76 0.569 -6.294 1.866 529 HB3 ALA 76 3HB ALA 76 -0.883 -5.630 2.614 530 H SER 77 H SER 77 -1.502 -7.471 3.509 531 HA SER 77 HA SER 77 -0.438 -10.062 4.376 532 HB2 SER 77 1HB SER 77 -3.235 -8.998 4.025 533 HB3 SER 77 2HB SER 77 -2.919 -10.725 4.190 534 HG SER 77 HG SER 77 -1.577 -9.426 6.090 535 H TYR 78 H TYR 78 -1.634 -11.937 3.092 536 HA TYR 78 HA TYR 78 -0.449 -12.293 0.691 537 HB2 TYR 78 1HB TYR 78 -2.467 -13.799 0.129 538 HB3 TYR 78 2HB TYR 78 -1.536 -14.169 1.576 539 HD1 TYR 78 1HD TYR 78 -2.479 -13.813 3.789 540 HD2 TYR 78 2HD TYR 78 -4.731 -12.934 0.287 541 HE1 TYR 78 1HE TYR 78 -4.530 -13.700 5.143 542 HE2 TYR 78 2HE TYR 78 -6.787 -12.817 1.631 543 HH TYR 78 HH TYR 78 -6.805 -13.676 5.040 544 H GLN 79 H GLN 79 -3.189 -10.284 1.336 545 HA GLN 79 HA GLN 79 -3.190 -9.434 -1.467 546 HB2 GLN 79 1HB GLN 79 -5.616 -9.385 -1.554 547 HB3 GLN 79 2HB GLN 79 -5.064 -11.013 -1.183 548 HG2 GLN 79 1HG GLN 79 -5.497 -10.503 1.234 549 HG3 GLN 79 2HG GLN 79 -6.266 -9.007 0.704 550 HE21 GLN 79 1HE2 GLN 79 -8.370 -9.252 0.942 551 HE22 GLN 79 2HE2 GLN 79 -9.299 -10.611 0.418 552 H LEU 80 H LEU 80 -3.187 -7.284 -1.702 553 HA LEU 80 HA LEU 80 -3.340 -5.643 0.696 554 HB2 LEU 80 1HB LEU 80 -1.475 -5.405 -0.922 555 HB3 LEU 80 2HB LEU 80 -2.637 -4.854 -2.127 556 HG LEU 80 HG LEU 80 -3.166 -2.933 -0.599 557 HD11 LEU 80 1HD1 LEU 80 -1.125 -2.491 0.982 558 HD12 LEU 80 2HD1 LEU 80 -1.001 -4.250 0.968 559 HD13 LEU 80 3HD1 LEU 80 -2.486 -3.475 1.522 560 HD21 LEU 80 1HD2 LEU 80 -1.857 -2.253 -2.344 561 HD22 LEU 80 2HD2 LEU 80 -0.555 -3.376 -1.954 562 HD23 LEU 80 3HD2 LEU 80 -0.769 -1.908 -0.999 563 H CYS 81 H CYS 81 -5.132 -4.619 1.266 564 HA CYS 81 HA CYS 81 -7.244 -4.239 -0.732 565 HB2 CYS 81 1HB CYS 81 -7.229 -4.463 2.259 566 HB3 CYS 81 2HB CYS 81 -8.577 -3.676 1.447 567 HG CYS 81 HG CYS 81 -7.568 -6.901 0.900 568 H LEU 82 H LEU 82 -6.570 -2.370 -1.753 569 HA LEU 82 HA LEU 82 -6.113 0.010 -0.114 570 HB2 LEU 82 1HB LEU 82 -5.858 -0.323 -3.098 571 HB3 LEU 82 2HB LEU 82 -5.319 1.057 -2.142 572 HG LEU 82 HG LEU 82 -4.180 -1.712 -1.814 573 HD11 LEU 82 1HD1 LEU 82 -3.305 -1.425 -3.854 574 HD12 LEU 82 2HD1 LEU 82 -2.247 -0.256 -3.065 575 HD13 LEU 82 3HD1 LEU 82 -3.704 0.293 -3.893 576 HD21 LEU 82 1HD2 LEU 82 -3.943 -0.030 0.033 577 HD22 LEU 82 2HD2 LEU 82 -3.023 0.973 -1.089 578 HD23 LEU 82 3HD2 LEU 82 -2.423 -0.623 -0.637 579 H LYS 83 H LYS 83 -7.716 1.368 0.283 580 HA LYS 83 HA LYS 83 -10.156 1.220 -1.314 581 HB2 LYS 83 1HB LYS 83 -10.353 1.112 1.134 582 HB3 LYS 83 2HB LYS 83 -9.586 2.689 1.267 583 HG2 LYS 83 1HG LYS 83 -11.574 3.397 -0.321 584 HG3 LYS 83 2HG LYS 83 -12.334 1.979 0.405 585 HD2 LYS 83 1HD LYS 83 -11.652 2.973 2.653 586 HD3 LYS 83 2HD LYS 83 -11.321 4.462 1.765 587 HE2 LYS 83 1HE LYS 83 -13.489 4.851 2.355 588 HE3 LYS 83 2HE LYS 83 -13.753 4.014 0.826 589 HZ1 LYS 83 1HZ LYS 83 -15.091 2.733 2.063 590 HZ2 LYS 83 2HZ LYS 83 -14.356 3.164 3.525 591 HZ3 LYS 83 3HZ LYS 83 -13.662 1.968 2.549 592 H ILE 84 H ILE 84 -10.128 2.455 -3.084 593 HA ILE 84 HA ILE 84 -8.739 5.012 -3.079 594 HB ILE 84 HB ILE 84 -9.395 5.088 -5.490 595 HG12 ILE 84 1HG1 ILE 84 -10.367 2.268 -4.985 596 HG13 ILE 84 2HG1 ILE 84 -11.421 3.654 -5.243 597 HG21 ILE 84 1HG2 ILE 84 -7.890 2.666 -4.516 598 HG22 ILE 84 2HG2 ILE 84 -7.870 3.252 -6.179 599 HG23 ILE 84 3HG2 ILE 84 -7.225 4.258 -4.882 600 HD11 ILE 84 1HD1 ILE 84 -11.355 2.692 -7.327 601 HD12 ILE 84 2HD1 ILE 84 -10.090 3.915 -7.455 602 HD13 ILE 84 3HD1 ILE 84 -9.660 2.227 -7.177 603 H ASP 85 H ASP 85 -9.815 6.935 -3.982 604 HA ASP 85 HA ASP 85 -12.465 7.230 -2.808 605 HB2 ASP 85 1HB ASP 85 -12.105 9.565 -2.871 606 HB3 ASP 85 2HB ASP 85 -10.545 8.873 -2.433 607 H ARG 86 H ARG 86 -11.161 6.507 -5.795 608 HA ARG 86 HA ARG 86 -11.890 6.665 -7.962 609 HB2 ARG 86 1HB ARG 86 -14.216 5.875 -6.282 610 HB3 ARG 86 2HB ARG 86 -14.530 6.271 -7.967 611 HG2 ARG 86 1HG ARG 86 -12.659 4.618 -8.515 612 HG3 ARG 86 2HG ARG 86 -12.831 4.074 -6.845 613 HD2 ARG 86 1HD ARG 86 -15.104 4.212 -8.818 614 HD3 ARG 86 2HD ARG 86 -14.150 2.760 -8.516 615 HE ARG 86 HE ARG 86 -15.014 3.499 -6.048 616 HH11 ARG 86 2HH1 ARG 86 -16.590 2.866 -9.086 617 HH12 ARG 86 1HH1 ARG 86 -18.057 2.301 -8.357 618 HH21 ARG 86 2HH2 ARG 86 -16.939 2.758 -5.075 619 HH22 ARG 86 1HH2 ARG 86 -18.254 2.241 -6.075 620 H ALA 87 H ALA 87 -11.442 9.182 -7.069 621 HA ALA 87 HA ALA 87 -13.743 10.711 -8.101 622 HB1 ALA 87 1HB ALA 87 -11.709 11.471 -6.015 623 HB2 ALA 87 2HB ALA 87 -12.808 12.627 -6.769 624 HB3 ALA 87 3HB ALA 87 -13.453 11.290 -5.816 625 H GLU 88 H GLU 88 -12.807 10.273 -10.237 626 HA GLU 88 HA GLU 88 -10.327 10.911 -11.168 627 HB2 GLU 88 1HB GLU 88 -11.382 11.402 -13.343 628 HB3 GLU 88 2HB GLU 88 -12.034 9.948 -12.600 629 HG2 GLU 88 1HG GLU 88 -13.943 11.335 -11.769 630 HG3 GLU 88 2HG GLU 88 -13.321 12.660 -12.752 631 H THR 89 H THR 89 -13.039 13.162 -10.735 632 HA THR 89 HA THR 89 -11.441 15.437 -11.509 633 HB THR 89 HB THR 89 -14.096 15.650 -10.121 634 HG1 THR 89 1HG THR 89 -13.717 15.105 -12.895 635 HG21 THR 89 1HG2 THR 89 -13.141 17.232 -12.480 636 HG22 THR 89 2HG2 THR 89 -12.571 17.619 -10.856 637 HG23 THR 89 3HG2 THR 89 -14.294 17.685 -11.226 638 H ARG 90 H ARG 90 -10.296 14.033 -9.358 639 HA ARG 90 HA ARG 90 -10.919 15.360 -6.889 640 HB2 ARG 90 1HB ARG 90 -8.873 14.184 -6.058 641 HB3 ARG 90 2HB ARG 90 -10.081 13.119 -6.763 642 HG2 ARG 90 1HG ARG 90 -8.771 12.574 -8.542 643 HG3 ARG 90 2HG ARG 90 -7.924 14.123 -8.533 644 HD2 ARG 90 1HD ARG 90 -6.978 13.271 -6.258 645 HD3 ARG 90 2HD ARG 90 -7.447 11.686 -6.870 646 HE ARG 90 HE ARG 90 -5.710 11.781 -8.365 647 HH11 ARG 90 2HH1 ARG 90 -6.237 14.940 -7.000 648 HH12 ARG 90 1HH1 ARG 90 -4.800 15.621 -7.688 649 HH21 ARG 90 2HH2 ARG 90 -3.815 12.666 -9.277 650 HH22 ARG 90 1HH2 ARG 90 -3.424 14.326 -8.984 651 H LEU 91 H LEU 91 -10.492 17.330 -8.698 652 HA LEU 91 HA LEU 91 -7.763 18.302 -8.239 653 HB2 LEU 91 1HB LEU 91 -9.055 18.238 -10.536 654 HB3 LEU 91 2HB LEU 91 -9.731 19.753 -9.941 655 HG LEU 91 HG LEU 91 -6.768 19.411 -9.966 656 HD11 LEU 91 1HD1 LEU 91 -7.749 18.661 -12.196 657 HD12 LEU 91 2HD1 LEU 91 -6.547 19.951 -12.234 658 HD13 LEU 91 3HD1 LEU 91 -8.259 20.337 -12.401 659 HD21 LEU 91 1HD2 LEU 91 -8.024 21.889 -10.881 660 HD22 LEU 91 2HD2 LEU 91 -6.757 21.632 -9.681 661 HD23 LEU 91 3HD2 LEU 91 -8.451 21.434 -9.232 662 H TRP 92 H TRP 92 -11.106 19.545 -8.171 663 HA TRP 92 HA TRP 92 -10.314 21.259 -5.911 664 HB2 TRP 92 1HB TRP 92 -10.761 22.340 -8.294 665 HB3 TRP 92 2HB TRP 92 -12.441 22.195 -7.784 666 HD1 TRP 92 HD TRP 92 -12.949 23.397 -5.266 667 HE1 TRP 92 1HE TRP 92 -12.072 25.661 -4.412 668 HE3 TRP 92 3HE TRP 92 -8.958 23.959 -8.411 669 HZ2 TRP 92 2HZ TRP 92 -9.968 27.449 -4.995 670 HZ3 TRP 92 3HZ TRP 92 -7.564 25.975 -8.198 671 HH2 TRP 92 HH TRP 92 -8.060 27.683 -6.525 672 H SER 93 H SER 93 -11.541 18.647 -5.866 673 HA SER 93 HA SER 93 -14.346 18.934 -5.391 674 HB2 SER 93 1HB SER 93 -12.361 16.725 -4.869 675 HB3 SER 93 2HB SER 93 -14.040 16.605 -4.344 676 HG SER 93 HG SER 93 -13.546 15.710 -6.473 677 HA PRO 94 HA PRO 94 -13.912 20.646 -1.305 678 HB2 PRO 94 1HB PRO 94 -16.568 20.711 -0.746 679 HB3 PRO 94 2HB PRO 94 -15.779 21.891 -1.800 680 HG2 PRO 94 1HG PRO 94 -17.366 19.460 -2.532 681 HG3 PRO 94 2HG PRO 94 -17.410 21.082 -3.246 682 HD2 PRO 94 1HD PRO 94 -16.072 19.024 -4.387 683 HD3 PRO 94 2HD PRO 94 -15.528 20.708 -4.523 684 H GLN 95 H GLN 95 -15.591 17.692 -2.133 685 HA GLN 95 HA GLN 95 -15.154 16.730 0.617 686 HB2 GLN 95 1HB GLN 95 -17.156 15.323 0.374 687 HB3 GLN 95 2HB GLN 95 -17.540 17.034 0.236 688 HG2 GLN 95 1HG GLN 95 -17.928 16.891 -2.051 689 HG3 GLN 95 2HG GLN 95 -17.054 15.367 -2.199 690 HE21 GLN 95 1HE2 GLN 95 -20.053 16.883 -1.500 691 HE22 GLN 95 2HE2 GLN 95 -20.993 15.444 -1.321 692 H VAL 96 H VAL 96 -15.480 14.148 0.500 693 HA VAL 96 HA VAL 96 -14.530 12.826 -1.816 694 HB VAL 96 HB VAL 96 -12.429 13.971 -1.211 695 HG11 VAL 96 1HG1 VAL 96 -11.787 14.180 0.902 696 HG12 VAL 96 2HG1 VAL 96 -13.188 13.237 1.415 697 HG13 VAL 96 3HG1 VAL 96 -11.663 12.427 1.054 698 HG21 VAL 96 1HG2 VAL 96 -11.061 11.787 -0.923 699 HG22 VAL 96 2HG2 VAL 96 -12.627 10.989 -1.066 700 HG23 VAL 96 3HG2 VAL 96 -12.034 12.008 -2.378 701 H SER 97 H SER 97 -14.684 10.621 -1.627 702 HA SER 97 HA SER 97 -16.391 9.406 0.025 703 HB2 SER 97 1HB SER 97 -15.222 8.282 -1.856 704 HB3 SER 97 2HB SER 97 -13.788 8.123 -0.842 705 HG SER 97 HG SER 97 -14.809 6.666 0.403 706 H SER 98 H SER 98 -16.569 9.662 2.158 707 HA SER 98 HA SER 98 -14.385 10.067 3.914 708 HB2 SER 98 1HB SER 98 -17.314 9.538 4.277 709 HB3 SER 98 2HB SER 98 -16.239 9.472 5.673 710 HG SER 98 HG SER 98 -17.315 11.596 4.781 711 H GLY 99 H GLY 99 -16.699 7.347 3.925 712 HA2 GLY 99 1HA GLY 99 -16.407 5.119 4.390 713 HA3 GLY 99 2HA GLY 99 -14.750 5.318 3.839 714 HA PRO 100 HA PRO 100 -14.682 6.303 8.573 715 HB2 PRO 100 1HB PRO 100 -16.973 5.834 9.951 716 HB3 PRO 100 2HB PRO 100 -16.599 7.395 9.212 717 HG2 PRO 100 1HG PRO 100 -18.351 5.191 8.196 718 HG3 PRO 100 2HG PRO 100 -18.637 6.941 8.189 719 HD2 PRO 100 1HD PRO 100 -17.791 5.593 5.998 720 HD3 PRO 100 2HD PRO 100 -17.323 7.275 6.325 721 H SER 101 H SER 101 -14.880 4.897 10.622 722 HA SER 101 HA SER 101 -15.675 2.196 10.422 723 HB2 SER 101 1HB SER 101 -13.403 1.159 10.391 724 HB3 SER 101 2HB SER 101 -13.826 1.955 8.875 725 HG SER 101 HG SER 101 -12.499 3.482 10.787 726 H SER 102 H SER 102 -16.238 1.844 12.456 727 HA SER 102 HA SER 102 -15.257 3.307 14.655 728 HB2 SER 102 1HB SER 102 -17.490 2.088 14.466 729 HB3 SER 102 2HB SER 102 -16.604 0.610 14.840 730 HG SER 102 HG SER 102 -16.326 1.264 16.850 731 H GLY 103 H GLY 103 -14.151 2.434 16.557 732 HA2 GLY 103 1HA GLY 103 -12.263 0.268 15.881 733 HA3 GLY 103 2HA GLY 103 -11.700 1.774 16.591 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -24.337 2.455 -6.336 2 HA2 GLY 1 1HA GLY 1 -22.778 4.174 -5.629 3 HA3 GLY 1 2HA GLY 1 -23.974 4.929 -6.671 4 H SER 2 H SER 2 -23.655 3.995 -3.242 5 HA SER 2 HA SER 2 -25.451 5.868 -2.227 6 HB2 SER 2 1HB SER 2 -24.401 5.479 -0.062 7 HB3 SER 2 2HB SER 2 -24.536 3.954 -0.937 8 HG SER 2 HG SER 2 -22.430 4.583 0.133 9 H SER 3 H SER 3 -24.698 7.639 -0.619 10 HA SER 3 HA SER 3 -23.738 9.800 -2.000 11 HB2 SER 3 1HB SER 3 -23.501 9.270 0.971 12 HB3 SER 3 2HB SER 3 -23.293 10.847 0.210 13 HG SER 3 HG SER 3 -25.453 10.699 -0.514 14 H GLY 4 H GLY 4 -21.842 7.834 0.301 15 HA2 GLY 4 1HA GLY 4 -19.376 9.095 -0.450 16 HA3 GLY 4 2HA GLY 4 -19.556 7.705 0.609 17 H SER 5 H SER 5 -17.663 8.260 -1.613 18 HA SER 5 HA SER 5 -18.394 6.136 -3.500 19 HB2 SER 5 1HB SER 5 -17.543 8.512 -4.188 20 HB3 SER 5 2HB SER 5 -15.953 7.858 -3.794 21 HG SER 5 HG SER 5 -16.897 6.016 -5.236 22 H SER 6 H SER 6 -17.994 4.495 -1.864 23 HA SER 6 HA SER 6 -15.272 4.125 -0.950 24 HB2 SER 6 1HB SER 6 -17.124 3.549 0.545 25 HB3 SER 6 2HB SER 6 -17.723 2.374 -0.627 26 HG SER 6 HG SER 6 -15.099 2.217 0.400 27 H GLY 7 H GLY 7 -13.933 3.622 -2.614 28 HA2 GLY 7 1HA GLY 7 -14.729 1.438 -4.419 29 HA3 GLY 7 2HA GLY 7 -13.456 2.608 -4.733 30 H ASN 8 H ASN 8 -14.263 -0.426 -3.328 31 HA ASN 8 HA ASN 8 -11.843 -0.785 -1.850 32 HB2 ASN 8 1HB ASN 8 -12.562 -3.155 -1.707 33 HB3 ASN 8 2HB ASN 8 -13.835 -2.033 -1.236 34 HD21 ASN 8 1HD2 ASN 8 -12.662 -4.076 -3.839 35 HD22 ASN 8 2HD2 ASN 8 -14.197 -4.305 -4.600 36 H VAL 9 H VAL 9 -10.060 -2.082 -2.368 37 HA VAL 9 HA VAL 9 -9.817 -3.081 -5.096 38 HB VAL 9 HB VAL 9 -7.985 -0.981 -3.939 39 HG11 VAL 9 1HG1 VAL 9 -6.518 -1.310 -5.806 40 HG12 VAL 9 2HG1 VAL 9 -6.732 -2.861 -4.992 41 HG13 VAL 9 3HG1 VAL 9 -7.590 -2.527 -6.497 42 HG21 VAL 9 1HG2 VAL 9 -10.128 -0.334 -5.148 43 HG22 VAL 9 2HG2 VAL 9 -8.631 0.373 -5.754 44 HG23 VAL 9 3HG2 VAL 9 -9.374 -0.981 -6.605 45 H VAL 10 H VAL 10 -9.246 -5.127 -4.766 46 HA VAL 10 HA VAL 10 -7.202 -5.701 -2.720 47 HB VAL 10 HB VAL 10 -9.115 -7.766 -3.768 48 HG11 VAL 10 1HG1 VAL 10 -7.632 -7.512 -1.154 49 HG12 VAL 10 2HG1 VAL 10 -8.613 -8.883 -1.675 50 HG13 VAL 10 3HG1 VAL 10 -7.118 -8.493 -2.526 51 HG21 VAL 10 1HG2 VAL 10 -10.401 -7.279 -1.601 52 HG22 VAL 10 2HG2 VAL 10 -9.598 -5.709 -1.637 53 HG23 VAL 10 3HG2 VAL 10 -10.648 -6.193 -2.969 54 H LEU 11 H LEU 11 -5.313 -5.847 -3.771 55 HA LEU 11 HA LEU 11 -5.200 -7.166 -6.375 56 HB2 LEU 11 1HB LEU 11 -2.904 -5.893 -4.919 57 HB3 LEU 11 2HB LEU 11 -3.061 -6.215 -6.645 58 HG LEU 11 HG LEU 11 -4.605 -4.138 -5.092 59 HD11 LEU 11 1HD1 LEU 11 -2.128 -3.746 -5.477 60 HD12 LEU 11 2HD1 LEU 11 -3.230 -2.511 -6.087 61 HD13 LEU 11 3HD1 LEU 11 -2.512 -3.678 -7.197 62 HD21 LEU 11 1HD2 LEU 11 -5.991 -4.835 -6.859 63 HD22 LEU 11 2HD2 LEU 11 -4.635 -4.978 -7.978 64 HD23 LEU 11 3HD2 LEU 11 -5.181 -3.385 -7.451 65 HA PRO 12 HA PRO 12 -3.742 -10.961 -4.668 66 HB2 PRO 12 1HB PRO 12 -2.598 -11.990 -6.905 67 HB3 PRO 12 2HB PRO 12 -4.348 -11.912 -6.670 68 HG2 PRO 12 1HG PRO 12 -2.562 -10.083 -8.229 69 HG3 PRO 12 2HG PRO 12 -4.154 -10.733 -8.665 70 HD2 PRO 12 1HD PRO 12 -3.817 -8.220 -7.715 71 HD3 PRO 12 2HD PRO 12 -5.279 -9.176 -7.393 72 H GLY 13 H GLY 13 -1.977 -11.465 -3.522 73 HA2 GLY 13 1HA GLY 13 0.627 -10.424 -4.454 74 HA3 GLY 13 2HA GLY 13 0.144 -10.349 -2.765 75 HA PRO 14 HA PRO 14 1.767 -10.549 -1.621 76 HB2 PRO 14 1HB PRO 14 4.419 -11.068 -1.357 77 HB3 PRO 14 2HB PRO 14 3.193 -11.768 -0.294 78 HG2 PRO 14 1HG PRO 14 4.567 -12.983 -2.660 79 HG3 PRO 14 2HG PRO 14 4.202 -13.709 -1.084 80 HD2 PRO 14 1HD PRO 14 2.698 -14.177 -3.287 81 HD3 PRO 14 2HD PRO 14 2.010 -14.142 -1.650 82 H ALA 15 H ALA 15 3.842 -9.045 -1.955 83 HA ALA 15 HA ALA 15 3.597 -7.847 -4.449 84 HB1 ALA 15 1HB ALA 15 6.197 -7.318 -3.347 85 HB2 ALA 15 2HB ALA 15 4.792 -6.257 -3.464 86 HB3 ALA 15 3HB ALA 15 4.978 -7.323 -2.072 87 HA PRO 16 HA PRO 16 5.447 -6.380 -5.408 88 HB2 PRO 16 1HB PRO 16 5.520 -6.043 -8.101 89 HB3 PRO 16 2HB PRO 16 6.977 -6.138 -7.105 90 HG2 PRO 16 1HG PRO 16 5.672 -8.263 -8.761 91 HG3 PRO 16 2HG PRO 16 7.394 -7.870 -8.600 92 HD2 PRO 16 1HD PRO 16 6.242 -9.937 -7.283 93 HD3 PRO 16 2HD PRO 16 7.596 -9.010 -6.607 94 H TRP 17 H TRP 17 3.745 -5.016 -6.292 95 HA TRP 17 HA TRP 17 1.293 -6.551 -6.755 96 HB2 TRP 17 1HB TRP 17 1.598 -3.631 -6.026 97 HB3 TRP 17 2HB TRP 17 0.096 -4.550 -6.065 98 HD1 TRP 17 HD TRP 17 2.750 -3.483 -3.741 99 HE1 TRP 17 1HE TRP 17 2.549 -4.729 -1.498 100 HE3 TRP 17 3HE TRP 17 -0.545 -7.136 -5.133 101 HZ2 TRP 17 2HZ TRP 17 1.176 -6.964 -0.456 102 HZ3 TRP 17 3HZ TRP 17 -1.251 -8.789 -3.454 103 HH2 TRP 17 HH TRP 17 -0.407 -8.704 -1.164 104 H GLY 18 H GLY 18 3.074 -3.752 -8.030 105 HA2 GLY 18 1HA GLY 18 3.296 -3.677 -10.489 106 HA3 GLY 18 2HA GLY 18 1.596 -4.114 -10.564 107 H PHE 19 H PHE 19 1.475 -2.177 -8.072 108 HA PHE 19 HA PHE 19 0.998 0.201 -9.726 109 HB2 PHE 19 1HB PHE 19 -0.710 0.806 -8.291 110 HB3 PHE 19 2HB PHE 19 -0.798 -0.950 -8.190 111 HD1 PHE 19 2HD PHE 19 0.211 -2.113 -6.227 112 HD2 PHE 19 1HD PHE 19 -0.212 2.119 -6.403 113 HE1 PHE 19 2HE PHE 19 0.491 -1.986 -3.786 114 HE2 PHE 19 1HE PHE 19 0.069 2.252 -3.962 115 HZ PHE 19 HZ PHE 19 0.420 0.198 -2.650 116 H ARG 20 H ARG 20 1.368 2.324 -8.625 117 HA ARG 20 HA ARG 20 3.760 2.216 -6.908 118 HB2 ARG 20 1HB ARG 20 3.274 4.423 -8.890 119 HB3 ARG 20 2HB ARG 20 4.776 3.969 -8.097 120 HG2 ARG 20 1HG ARG 20 3.348 2.420 -10.247 121 HG3 ARG 20 2HG ARG 20 4.841 3.345 -10.425 122 HD2 ARG 20 1HD ARG 20 4.739 1.214 -8.354 123 HD3 ARG 20 2HD ARG 20 4.859 0.727 -10.044 124 HE ARG 20 HE ARG 20 6.810 2.583 -9.799 125 HH11 ARG 20 2HH1 ARG 20 5.995 -0.281 -7.994 126 HH12 ARG 20 1HH1 ARG 20 7.631 -0.615 -7.534 127 HH21 ARG 20 2HH2 ARG 20 8.969 2.153 -9.200 128 HH22 ARG 20 1HH2 ARG 20 9.322 0.771 -8.220 129 H LEU 21 H LEU 21 4.147 4.521 -5.935 130 HA LEU 21 HA LEU 21 1.587 5.701 -5.113 131 HB2 LEU 21 1HB LEU 21 2.894 5.949 -2.820 132 HB3 LEU 21 2HB LEU 21 1.899 4.544 -3.194 133 HG LEU 21 HG LEU 21 3.915 3.294 -3.823 134 HD11 LEU 21 1HD1 LEU 21 5.303 5.132 -4.580 135 HD12 LEU 21 2HD1 LEU 21 6.126 4.226 -3.311 136 HD13 LEU 21 3HD1 LEU 21 5.377 5.779 -2.940 137 HD21 LEU 21 1HD2 LEU 21 2.999 3.401 -1.459 138 HD22 LEU 21 2HD2 LEU 21 4.319 4.517 -1.106 139 HD23 LEU 21 3HD2 LEU 21 4.672 2.870 -1.633 140 H SER 22 H SER 22 1.654 7.888 -4.556 141 HA SER 22 HA SER 22 4.172 9.318 -4.645 142 HB2 SER 22 1HB SER 22 2.192 9.376 -6.871 143 HB3 SER 22 2HB SER 22 2.949 10.902 -6.415 144 HG SER 22 HG SER 22 4.015 9.445 -8.059 145 H GLY 23 H GLY 23 4.122 11.079 -3.374 146 HA2 GLY 23 1HA GLY 23 2.822 13.095 -2.717 147 HA3 GLY 23 2HA GLY 23 1.467 12.005 -2.460 148 H GLY 24 H GLY 24 1.272 12.719 -0.298 149 HA2 GLY 24 1HA GLY 24 2.008 11.251 1.744 150 HA3 GLY 24 2HA GLY 24 3.515 12.119 1.491 151 H ILE 25 H ILE 25 0.982 12.058 3.443 152 HA ILE 25 HA ILE 25 -0.186 14.527 3.596 153 HB ILE 25 HB ILE 25 -0.406 14.193 6.015 154 HG12 ILE 25 1HG1 ILE 25 1.264 11.703 5.731 155 HG13 ILE 25 2HG1 ILE 25 1.980 13.242 6.197 156 HG21 ILE 25 1HG2 ILE 25 -2.008 12.689 5.649 157 HG22 ILE 25 2HG2 ILE 25 -1.395 12.582 4.000 158 HG23 ILE 25 3HG2 ILE 25 -0.842 11.437 5.222 159 HD11 ILE 25 1HD1 ILE 25 1.440 11.771 8.104 160 HD12 ILE 25 2HD1 ILE 25 0.623 13.333 8.170 161 HD13 ILE 25 3HD1 ILE 25 -0.266 11.892 7.673 162 H ASP 26 H ASP 26 3.118 13.746 4.113 163 HA ASP 26 HA ASP 26 3.729 16.118 5.644 164 HB2 ASP 26 1HB ASP 26 4.988 13.946 5.855 165 HB3 ASP 26 2HB ASP 26 5.663 14.254 4.258 166 H PHE 27 H PHE 27 3.945 15.053 2.301 167 HA PHE 27 HA PHE 27 5.306 17.474 1.474 168 HB2 PHE 27 1HB PHE 27 4.246 15.100 -0.065 169 HB3 PHE 27 2HB PHE 27 5.027 16.481 -0.829 170 HD1 PHE 27 2HD PHE 27 7.413 17.012 -0.204 171 HD2 PHE 27 1HD PHE 27 5.502 13.361 0.860 172 HE1 PHE 27 2HE PHE 27 9.612 15.975 0.170 173 HE2 PHE 27 1HE PHE 27 7.699 12.317 1.237 174 HZ PHE 27 HZ PHE 27 9.757 13.624 0.890 175 H ASN 28 H ASN 28 2.362 17.127 2.522 176 HA ASN 28 HA ASN 28 0.376 18.196 2.233 177 HB2 ASN 28 1HB ASN 28 2.057 19.971 0.449 178 HB3 ASN 28 2HB ASN 28 0.418 20.345 0.975 179 HD21 ASN 28 1HD2 ASN 28 0.440 21.822 2.494 180 HD22 ASN 28 2HD2 ASN 28 1.564 21.927 3.802 181 H GLN 29 H GLN 29 0.833 15.928 0.645 182 HA GLN 29 HA GLN 29 -1.020 16.480 -1.531 183 HB2 GLN 29 1HB GLN 29 1.756 15.396 -1.893 184 HB3 GLN 29 2HB GLN 29 0.471 14.952 -3.009 185 HG2 GLN 29 1HG GLN 29 0.090 17.466 -3.279 186 HG3 GLN 29 2HG GLN 29 1.662 17.652 -2.502 187 HE21 GLN 29 1HE2 GLN 29 0.142 15.761 -5.093 188 HE22 GLN 29 2HE2 GLN 29 1.459 15.903 -6.202 189 HA PRO 30 HA PRO 30 -2.754 12.692 -0.104 190 HB2 PRO 30 1HB PRO 30 -4.292 12.102 -2.262 191 HB3 PRO 30 2HB PRO 30 -4.700 13.382 -1.112 192 HG2 PRO 30 1HG PRO 30 -3.389 13.592 -3.796 193 HG3 PRO 30 2HG PRO 30 -4.658 14.609 -3.087 194 HD2 PRO 30 1HD PRO 30 -2.055 15.354 -3.141 195 HD3 PRO 30 2HD PRO 30 -3.156 15.826 -1.832 196 H LEU 31 H LEU 31 -2.273 10.556 -0.183 197 HA LEU 31 HA LEU 31 -0.145 9.668 -1.833 198 HB2 LEU 31 1HB LEU 31 -2.038 8.144 -0.051 199 HB3 LEU 31 2HB LEU 31 -0.617 7.444 -0.824 200 HG LEU 31 HG LEU 31 -0.343 9.797 1.010 201 HD11 LEU 31 1HD1 LEU 31 0.220 7.333 2.351 202 HD12 LEU 31 2HD1 LEU 31 -1.453 7.338 1.793 203 HD13 LEU 31 3HD1 LEU 31 -0.864 8.641 2.826 204 HD21 LEU 31 1HD2 LEU 31 1.445 8.541 -0.567 205 HD22 LEU 31 2HD2 LEU 31 1.610 7.593 0.911 206 HD23 LEU 31 3HD2 LEU 31 1.863 9.339 0.949 207 H VAL 32 H VAL 32 -0.609 9.687 -3.986 208 HA VAL 32 HA VAL 32 -2.868 8.017 -4.879 209 HB VAL 32 HB VAL 32 -2.805 9.288 -6.997 210 HG11 VAL 32 1HG1 VAL 32 -3.329 11.606 -5.668 211 HG12 VAL 32 2HG1 VAL 32 -4.464 10.267 -5.846 212 HG13 VAL 32 3HG1 VAL 32 -3.493 10.412 -4.380 213 HG21 VAL 32 1HG2 VAL 32 -1.426 11.616 -6.228 214 HG22 VAL 32 2HG2 VAL 32 -0.349 10.261 -5.889 215 HG23 VAL 32 3HG2 VAL 32 -1.003 10.482 -7.511 216 H ILE 33 H ILE 33 -2.456 7.149 -7.186 217 HA ILE 33 HA ILE 33 -0.023 5.593 -7.062 218 HB ILE 33 HB ILE 33 -2.318 5.557 -9.021 219 HG12 ILE 33 1HG1 ILE 33 -1.495 3.578 -6.886 220 HG13 ILE 33 2HG1 ILE 33 -2.799 4.748 -6.721 221 HG21 ILE 33 1HG2 ILE 33 -0.760 3.182 -9.124 222 HG22 ILE 33 2HG2 ILE 33 -1.085 4.345 -10.409 223 HG23 ILE 33 3HG2 ILE 33 0.312 4.562 -9.355 224 HD11 ILE 33 1HD1 ILE 33 -3.334 3.371 -9.086 225 HD12 ILE 33 2HD1 ILE 33 -2.822 2.147 -7.924 226 HD13 ILE 33 3HD1 ILE 33 -4.167 3.220 -7.540 227 H THR 34 H THR 34 1.728 5.756 -8.360 228 HA THR 34 HA THR 34 1.975 8.167 -9.957 229 HB THR 34 HB THR 34 4.224 7.995 -9.706 230 HG1 THR 34 1HG THR 34 5.120 5.674 -9.456 231 HG21 THR 34 1HG2 THR 34 4.793 7.271 -7.561 232 HG22 THR 34 2HG2 THR 34 3.661 5.920 -7.613 233 HG23 THR 34 3HG2 THR 34 3.060 7.569 -7.441 234 H ARG 35 H ARG 35 2.191 4.658 -10.421 235 HA ARG 35 HA ARG 35 1.414 4.971 -13.192 236 HB2 ARG 35 1HB ARG 35 4.159 4.196 -12.355 237 HB3 ARG 35 2HB ARG 35 3.442 3.293 -13.683 238 HG2 ARG 35 1HG ARG 35 3.552 6.292 -13.656 239 HG3 ARG 35 2HG ARG 35 4.862 5.296 -14.293 240 HD2 ARG 35 1HD ARG 35 3.570 4.491 -16.043 241 HD3 ARG 35 2HD ARG 35 2.053 4.871 -15.227 242 HE ARG 35 HE ARG 35 3.245 7.296 -15.652 243 HH11 ARG 35 2HH1 ARG 35 2.284 4.619 -17.660 244 HH12 ARG 35 1HH1 ARG 35 1.971 5.604 -19.050 245 HH21 ARG 35 2HH2 ARG 35 2.837 8.604 -17.476 246 HH22 ARG 35 1HH2 ARG 35 2.287 7.871 -18.945 247 H ILE 36 H ILE 36 0.999 2.860 -14.236 248 HA ILE 36 HA ILE 36 0.419 0.744 -12.270 249 HB ILE 36 HB ILE 36 -1.367 1.703 -14.506 250 HG12 ILE 36 1HG1 ILE 36 -1.500 3.002 -12.425 251 HG13 ILE 36 2HG1 ILE 36 -2.980 2.089 -12.697 252 HG21 ILE 36 1HG2 ILE 36 -2.197 -0.348 -14.666 253 HG22 ILE 36 2HG2 ILE 36 -1.077 -0.925 -13.434 254 HG23 ILE 36 3HG2 ILE 36 -2.649 -0.280 -12.963 255 HD11 ILE 36 1HD1 ILE 36 -2.010 0.341 -11.141 256 HD12 ILE 36 2HD1 ILE 36 -0.798 1.550 -10.715 257 HD13 ILE 36 3HD1 ILE 36 -2.506 1.870 -10.415 258 H THR 37 H THR 37 1.059 -1.250 -12.818 259 HA THR 37 HA THR 37 2.750 -1.686 -15.019 260 HB THR 37 HB THR 37 1.310 -3.754 -13.347 261 HG1 THR 37 1HG THR 37 3.446 -2.090 -12.859 262 HG21 THR 37 1HG2 THR 37 2.527 -4.292 -15.652 263 HG22 THR 37 2HG2 THR 37 2.636 -5.373 -14.263 264 HG23 THR 37 3HG2 THR 37 3.951 -4.251 -14.613 265 HA PRO 38 HA PRO 38 -0.220 -2.342 -18.239 266 HB2 PRO 38 1HB PRO 38 1.504 -3.337 -20.085 267 HB3 PRO 38 2HB PRO 38 1.422 -1.619 -19.675 268 HG2 PRO 38 1HG PRO 38 3.351 -3.702 -18.727 269 HG3 PRO 38 2HG PRO 38 3.667 -2.033 -19.237 270 HD2 PRO 38 1HD PRO 38 3.528 -2.760 -16.632 271 HD3 PRO 38 2HD PRO 38 3.021 -1.158 -17.205 272 H GLY 39 H GLY 39 -1.603 -3.977 -18.492 273 HA2 GLY 39 1HA GLY 39 -2.487 -6.100 -18.279 274 HA3 GLY 39 2HA GLY 39 -1.142 -6.521 -19.328 275 H SER 40 H SER 40 -1.916 -5.966 -15.902 276 HA SER 40 HA SER 40 -0.596 -8.420 -15.168 277 HB2 SER 40 1HB SER 40 1.241 -7.611 -14.050 278 HB3 SER 40 2HB SER 40 1.123 -6.386 -15.312 279 HG SER 40 HG SER 40 -0.099 -5.121 -13.800 280 H LYS 41 H LYS 41 -0.409 -8.268 -12.528 281 HA LYS 41 HA LYS 41 -3.024 -8.441 -11.601 282 HB2 LYS 41 1HB LYS 41 -0.487 -7.952 -10.029 283 HB3 LYS 41 2HB LYS 41 -2.024 -8.445 -9.328 284 HG2 LYS 41 1HG LYS 41 -1.938 -10.555 -10.403 285 HG3 LYS 41 2HG LYS 41 -0.582 -10.057 -11.416 286 HD2 LYS 41 1HD LYS 41 0.816 -9.848 -9.396 287 HD3 LYS 41 2HD LYS 41 -0.541 -10.414 -8.418 288 HE2 LYS 41 1HE LYS 41 -0.545 -12.523 -9.685 289 HE3 LYS 41 2HE LYS 41 0.840 -11.954 -10.616 290 HZ1 LYS 41 1HZ LYS 41 1.333 -11.748 -7.827 291 HZ2 LYS 41 2HZ LYS 41 2.209 -12.583 -9.009 292 HZ3 LYS 41 3HZ LYS 41 0.904 -13.333 -8.237 293 H ALA 42 H ALA 42 -0.937 -5.692 -11.901 294 HA ALA 42 HA ALA 42 -2.355 -3.995 -10.089 295 HB1 ALA 42 1HB ALA 42 -1.056 -2.285 -11.772 296 HB2 ALA 42 2HB ALA 42 -0.352 -3.022 -10.332 297 HB3 ALA 42 3HB ALA 42 -0.084 -3.749 -11.917 298 H ALA 43 H ALA 43 -1.954 -3.559 -13.601 299 HA ALA 43 HA ALA 43 -4.157 -1.884 -13.932 300 HB1 ALA 43 1HB ALA 43 -3.945 -2.318 -16.312 301 HB2 ALA 43 2HB ALA 43 -2.354 -2.112 -15.579 302 HB3 ALA 43 3HB ALA 43 -2.936 -3.727 -15.983 303 H ALA 44 H ALA 44 -3.906 -5.400 -14.159 304 HA ALA 44 HA ALA 44 -6.456 -5.928 -15.189 305 HB1 ALA 44 1HB ALA 44 -4.897 -7.671 -13.287 306 HB2 ALA 44 2HB ALA 44 -6.147 -8.183 -14.422 307 HB3 ALA 44 3HB ALA 44 -4.605 -7.574 -15.024 308 H ALA 45 H ALA 45 -5.515 -4.749 -12.135 309 HA ALA 45 HA ALA 45 -7.983 -5.631 -10.837 310 HB1 ALA 45 1HB ALA 45 -6.745 -4.160 -8.948 311 HB2 ALA 45 2HB ALA 45 -6.442 -5.878 -9.211 312 HB3 ALA 45 3HB ALA 45 -5.357 -4.674 -9.907 313 H ASN 46 H ASN 46 -7.742 -3.540 -13.019 314 HA ASN 46 HA ASN 46 -8.749 -1.579 -13.575 315 HB2 ASN 46 1HB ASN 46 -10.180 -1.637 -10.926 316 HB3 ASN 46 2HB ASN 46 -10.741 -0.979 -12.461 317 HD21 ASN 46 1HD2 ASN 46 -11.627 -3.154 -10.466 318 HD22 ASN 46 2HD2 ASN 46 -12.046 -4.478 -11.495 319 H LEU 47 H LEU 47 -6.235 -1.508 -12.216 320 HA LEU 47 HA LEU 47 -6.369 0.762 -10.407 321 HB2 LEU 47 1HB LEU 47 -4.026 -0.831 -11.436 322 HB3 LEU 47 2HB LEU 47 -3.921 0.463 -10.244 323 HG LEU 47 HG LEU 47 -5.398 -2.142 -9.867 324 HD11 LEU 47 1HD1 LEU 47 -3.585 -3.009 -8.833 325 HD12 LEU 47 2HD1 LEU 47 -3.029 -1.441 -8.248 326 HD13 LEU 47 3HD1 LEU 47 -2.732 -1.914 -9.921 327 HD21 LEU 47 1HD2 LEU 47 -4.900 0.208 -8.051 328 HD22 LEU 47 2HD2 LEU 47 -5.420 -1.377 -7.476 329 HD23 LEU 47 3HD2 LEU 47 -6.452 -0.452 -8.568 330 H CYS 48 H CYS 48 -5.542 2.791 -10.816 331 HA CYS 48 HA CYS 48 -4.342 3.367 -13.396 332 HB2 CYS 48 1HB CYS 48 -6.505 3.702 -14.163 333 HB3 CYS 48 2HB CYS 48 -7.083 4.263 -12.599 334 HG CYS 48 HG CYS 48 -5.965 6.783 -12.782 335 HA PRO 49 HA PRO 49 -2.104 6.215 -10.892 336 HB2 PRO 49 1HB PRO 49 -1.071 7.771 -12.862 337 HB3 PRO 49 2HB PRO 49 -0.487 6.138 -12.522 338 HG2 PRO 49 1HG PRO 49 -2.391 7.067 -14.638 339 HG3 PRO 49 2HG PRO 49 -1.055 5.907 -14.765 340 HD2 PRO 49 1HD PRO 49 -3.640 5.134 -14.534 341 HD3 PRO 49 2HD PRO 49 -2.296 4.188 -13.862 342 H GLY 50 H GLY 50 -3.690 7.361 -9.781 343 HA2 GLY 50 1HA GLY 50 -3.939 10.034 -10.038 344 HA3 GLY 50 2HA GLY 50 -5.200 9.442 -11.110 345 H ASP 51 H ASP 51 -5.346 7.061 -9.124 346 HA ASP 51 HA ASP 51 -7.585 8.035 -7.684 347 HB2 ASP 51 1HB ASP 51 -6.082 5.471 -7.824 348 HB3 ASP 51 2HB ASP 51 -7.093 5.738 -6.407 349 H VAL 52 H VAL 52 -7.853 8.184 -5.394 350 HA VAL 52 HA VAL 52 -5.397 9.060 -4.036 351 HB VAL 52 HB VAL 52 -8.282 9.723 -3.434 352 HG11 VAL 52 1HG1 VAL 52 -5.786 10.783 -2.114 353 HG12 VAL 52 2HG1 VAL 52 -7.453 11.211 -1.726 354 HG13 VAL 52 3HG1 VAL 52 -6.865 9.579 -1.410 355 HG21 VAL 52 1HG2 VAL 52 -7.983 11.234 -5.051 356 HG22 VAL 52 2HG2 VAL 52 -6.907 12.062 -3.926 357 HG23 VAL 52 3HG2 VAL 52 -6.245 10.942 -5.116 358 H ILE 53 H ILE 53 -4.550 7.508 -2.808 359 HA ILE 53 HA ILE 53 -5.982 5.304 -1.778 360 HB ILE 53 HB ILE 53 -3.328 6.373 -0.813 361 HG12 ILE 53 1HG1 ILE 53 -3.718 5.771 -3.351 362 HG13 ILE 53 2HG1 ILE 53 -2.255 5.250 -2.521 363 HG21 ILE 53 1HG2 ILE 53 -3.189 3.699 -0.529 364 HG22 ILE 53 2HG2 ILE 53 -3.715 4.794 0.749 365 HG23 ILE 53 3HG2 ILE 53 -4.910 3.954 -0.240 366 HD11 ILE 53 1HD1 ILE 53 -3.848 3.637 -3.983 367 HD12 ILE 53 2HD1 ILE 53 -2.791 3.083 -2.684 368 HD13 ILE 53 3HD1 ILE 53 -4.501 3.372 -2.367 369 H LEU 54 H LEU 54 -7.555 5.525 -0.321 370 HA LEU 54 HA LEU 54 -7.519 7.607 1.667 371 HB2 LEU 54 1HB LEU 54 -9.399 5.277 1.307 372 HB3 LEU 54 2HB LEU 54 -9.647 6.637 2.400 373 HG LEU 54 HG LEU 54 -9.344 7.115 -0.538 374 HD11 LEU 54 1HD1 LEU 54 -11.050 5.334 -0.225 375 HD12 LEU 54 2HD1 LEU 54 -11.697 6.836 -0.884 376 HD13 LEU 54 3HD1 LEU 54 -11.949 6.439 0.815 377 HD21 LEU 54 1HD2 LEU 54 -10.075 9.183 -0.062 378 HD22 LEU 54 2HD2 LEU 54 -9.589 8.788 1.587 379 HD23 LEU 54 3HD2 LEU 54 -11.273 8.604 1.096 380 H ALA 55 H ALA 55 -7.479 4.044 1.764 381 HA ALA 55 HA ALA 55 -6.002 4.215 4.299 382 HB1 ALA 55 1HB ALA 55 -7.976 3.611 5.247 383 HB2 ALA 55 2HB ALA 55 -8.570 2.828 3.781 384 HB3 ALA 55 3HB ALA 55 -7.391 2.007 4.804 385 H ILE 56 H ILE 56 -4.185 3.069 4.261 386 HA ILE 56 HA ILE 56 -3.719 1.226 2.053 387 HB ILE 56 HB ILE 56 -1.830 2.286 4.157 388 HG12 ILE 56 1HG1 ILE 56 -1.951 2.926 1.207 389 HG13 ILE 56 2HG1 ILE 56 -2.724 3.912 2.443 390 HG21 ILE 56 1HG2 ILE 56 -0.182 1.390 2.285 391 HG22 ILE 56 2HG2 ILE 56 -0.756 0.359 3.595 392 HG23 ILE 56 3HG2 ILE 56 -1.514 0.269 2.005 393 HD11 ILE 56 1HD1 ILE 56 -0.232 4.317 1.486 394 HD12 ILE 56 2HD1 ILE 56 -0.792 4.849 3.072 395 HD13 ILE 56 3HD1 ILE 56 0.111 3.343 2.915 396 H ASP 57 H ASP 57 -3.657 -0.923 2.241 397 HA ASP 57 HA ASP 57 -4.072 -2.976 3.168 398 HB2 ASP 57 1HB ASP 57 -1.883 -1.839 4.902 399 HB3 ASP 57 2HB ASP 57 -2.455 -3.495 5.083 400 H GLY 58 H GLY 58 -5.967 -1.068 3.983 401 HA2 GLY 58 1HA GLY 58 -7.764 -1.086 5.441 402 HA3 GLY 58 2HA GLY 58 -6.969 -2.366 6.345 403 H PHE 59 H PHE 59 -5.447 0.705 5.629 404 HA PHE 59 HA PHE 59 -5.896 1.594 8.387 405 HB2 PHE 59 1HB PHE 59 -3.168 1.651 7.089 406 HB3 PHE 59 2HB PHE 59 -3.571 2.060 8.754 407 HD1 PHE 59 2HD PHE 59 -5.000 -0.012 9.889 408 HD2 PHE 59 1HD PHE 59 -2.010 -0.304 6.873 409 HE1 PHE 59 2HE PHE 59 -4.546 -2.332 10.568 410 HE2 PHE 59 1HE PHE 59 -1.552 -2.625 7.547 411 HZ PHE 59 HZ PHE 59 -2.820 -3.642 9.398 412 H GLY 60 H GLY 60 -6.822 3.525 8.242 413 HA2 GLY 60 1HA GLY 60 -6.914 5.136 5.970 414 HA3 GLY 60 2HA GLY 60 -7.251 5.687 7.605 415 H THR 61 H THR 61 -5.768 6.846 5.214 416 HA THR 61 HA THR 61 -3.094 7.198 6.328 417 HB THR 61 HB THR 61 -2.461 8.187 4.278 418 HG1 THR 61 1HG THR 61 -4.221 8.621 2.679 419 HG21 THR 61 1HG2 THR 61 -3.665 5.672 4.338 420 HG22 THR 61 2HG2 THR 61 -2.551 6.284 3.115 421 HG23 THR 61 3HG2 THR 61 -4.292 6.440 2.879 422 H GLU 62 H GLU 62 -5.172 8.272 7.887 423 HA GLU 62 HA GLU 62 -5.635 11.014 7.410 424 HB2 GLU 62 1HB GLU 62 -6.328 11.107 9.769 425 HB3 GLU 62 2HB GLU 62 -7.032 9.729 8.934 426 HG2 GLU 62 1HG GLU 62 -5.395 8.250 9.939 427 HG3 GLU 62 2HG GLU 62 -4.622 9.621 10.734 428 H SER 63 H SER 63 -3.171 9.308 9.292 429 HA SER 63 HA SER 63 -1.576 11.774 9.298 430 HB2 SER 63 1HB SER 63 -0.894 11.412 11.601 431 HB3 SER 63 2HB SER 63 -2.655 11.488 11.526 432 HG SER 63 HG SER 63 -2.786 9.410 12.005 433 H MET 64 H MET 64 -1.473 9.426 7.605 434 HA MET 64 HA MET 64 1.056 8.193 8.455 435 HB2 MET 64 1HB MET 64 -0.318 6.412 7.975 436 HB3 MET 64 2HB MET 64 -1.205 7.290 6.736 437 HG2 MET 64 1HG MET 64 0.284 6.772 5.098 438 HG3 MET 64 2HG MET 64 1.644 6.667 6.214 439 HE1 MET 64 1HE MET 64 -1.814 5.146 6.633 440 HE2 MET 64 2HE MET 64 -1.650 4.618 4.958 441 HE3 MET 64 3HE MET 64 -1.615 3.432 6.264 442 H THR 65 H THR 65 2.886 8.733 7.466 443 HA THR 65 HA THR 65 2.780 10.526 5.178 444 HB THR 65 HB THR 65 5.214 10.780 5.523 445 HG1 THR 65 1HG THR 65 5.114 8.498 6.661 446 HG21 THR 65 1HG2 THR 65 4.896 12.311 7.145 447 HG22 THR 65 2HG2 THR 65 4.251 11.122 8.277 448 HG23 THR 65 3HG2 THR 65 3.206 11.819 7.039 449 H HIS 66 H HIS 66 4.316 10.197 3.369 450 HA HIS 66 HA HIS 66 3.845 8.023 1.853 451 HB2 HIS 66 1HB HIS 66 5.318 10.173 1.426 452 HB3 HIS 66 2HB HIS 66 6.644 9.072 1.792 453 HD1 HIS 66 1HD HIS 66 3.561 8.938 -0.452 454 HD2 HIS 66 2HD HIS 66 7.600 7.962 -0.466 455 HE1 HIS 66 1HE HIS 66 4.016 7.990 -2.737 456 HE2 HIS 66 2HE HIS 66 6.446 7.328 -2.693 457 H ALA 67 H ALA 67 6.674 8.323 4.001 458 HA ALA 67 HA ALA 67 7.795 5.832 3.581 459 HB1 ALA 67 1HB ALA 67 9.170 6.331 5.300 460 HB2 ALA 67 2HB ALA 67 8.431 7.925 5.138 461 HB3 ALA 67 3HB ALA 67 7.847 6.802 6.366 462 H ASP 68 H ASP 68 5.652 6.686 6.307 463 HA ASP 68 HA ASP 68 5.281 4.293 7.491 464 HB2 ASP 68 1HB ASP 68 3.469 6.603 7.020 465 HB3 ASP 68 2HB ASP 68 2.737 5.119 7.621 466 H ALA 69 H ALA 69 3.344 5.412 4.714 467 HA ALA 69 HA ALA 69 1.740 3.239 4.308 468 HB1 ALA 69 1HB ALA 69 1.462 5.181 2.960 469 HB2 ALA 69 2HB ALA 69 3.072 5.001 2.262 470 HB3 ALA 69 3HB ALA 69 1.808 3.833 1.876 471 H GLN 70 H GLN 70 5.128 3.595 3.397 472 HA GLN 70 HA GLN 70 5.372 1.291 1.821 473 HB2 GLN 70 1HB GLN 70 7.502 2.499 3.591 474 HB3 GLN 70 2HB GLN 70 7.758 1.480 2.181 475 HG2 GLN 70 1HG GLN 70 6.462 4.194 2.104 476 HG3 GLN 70 2HG GLN 70 8.168 3.888 1.779 477 HE21 GLN 70 1HE2 GLN 70 7.070 5.083 -0.195 478 HE22 GLN 70 2HE2 GLN 70 6.641 4.029 -1.495 479 H ASP 71 H ASP 71 5.940 1.765 5.298 480 HA ASP 71 HA ASP 71 6.747 -0.842 5.899 481 HB2 ASP 71 1HB ASP 71 5.636 1.440 7.449 482 HB3 ASP 71 2HB ASP 71 5.594 -0.147 8.212 483 H ARG 72 H ARG 72 3.716 0.316 4.925 484 HA ARG 72 HA ARG 72 2.270 -1.921 6.137 485 HB2 ARG 72 1HB ARG 72 1.405 0.599 4.743 486 HB3 ARG 72 2HB ARG 72 0.283 -0.731 4.996 487 HG2 ARG 72 1HG ARG 72 -0.154 0.516 6.848 488 HG3 ARG 72 2HG ARG 72 1.121 -0.526 7.481 489 HD2 ARG 72 1HD ARG 72 2.712 1.160 7.408 490 HD3 ARG 72 2HD ARG 72 1.809 2.094 6.216 491 HE ARG 72 HE ARG 72 0.168 2.208 8.309 492 HH11 ARG 72 2HH1 ARG 72 3.611 2.675 8.091 493 HH12 ARG 72 1HH1 ARG 72 3.673 3.800 9.407 494 HH21 ARG 72 2HH2 ARG 72 0.237 3.688 10.044 495 HH22 ARG 72 1HH2 ARG 72 1.754 4.375 10.518 496 H ILE 73 H ILE 73 3.201 -0.608 3.004 497 HA ILE 73 HA ILE 73 1.784 -2.577 1.484 498 HB ILE 73 HB ILE 73 3.976 -0.656 0.705 499 HG12 ILE 73 1HG1 ILE 73 1.070 -0.614 -0.099 500 HG13 ILE 73 2HG1 ILE 73 1.645 0.182 1.362 501 HG21 ILE 73 1HG2 ILE 73 3.974 -2.695 -0.702 502 HG22 ILE 73 2HG2 ILE 73 2.293 -2.368 -1.116 503 HG23 ILE 73 3HG2 ILE 73 3.555 -1.233 -1.594 504 HD11 ILE 73 1HD1 ILE 73 2.417 0.793 -1.476 505 HD12 ILE 73 2HD1 ILE 73 1.507 1.811 -0.359 506 HD13 ILE 73 3HD1 ILE 73 3.216 1.488 -0.066 507 H LYS 74 H LYS 74 5.041 -2.243 2.746 508 HA LYS 74 HA LYS 74 6.088 -4.493 1.302 509 HB2 LYS 74 1HB LYS 74 8.111 -4.118 2.478 510 HB3 LYS 74 2HB LYS 74 7.436 -2.525 2.159 511 HG2 LYS 74 1HG LYS 74 6.928 -2.146 4.366 512 HG3 LYS 74 2HG LYS 74 6.833 -3.866 4.751 513 HD2 LYS 74 1HD LYS 74 9.429 -2.595 3.949 514 HD3 LYS 74 2HD LYS 74 8.855 -2.525 5.617 515 HE2 LYS 74 1HE LYS 74 8.551 -5.103 5.306 516 HE3 LYS 74 2HE LYS 74 9.709 -4.884 3.995 517 HZ1 LYS 74 1HZ LYS 74 10.725 -5.465 6.162 518 HZ2 LYS 74 2HZ LYS 74 10.181 -3.990 6.784 519 HZ3 LYS 74 3HZ LYS 74 11.301 -4.011 5.517 520 H ALA 75 H ALA 75 4.607 -3.954 4.421 521 HA ALA 75 HA ALA 75 5.176 -6.699 5.254 522 HB1 ALA 75 1HB ALA 75 5.561 -5.039 6.941 523 HB2 ALA 75 2HB ALA 75 3.938 -4.382 6.730 524 HB3 ALA 75 3HB ALA 75 4.155 -5.995 7.408 525 H ALA 76 H ALA 76 3.070 -5.478 3.229 526 HA ALA 76 HA ALA 76 0.502 -6.025 4.100 527 HB1 ALA 76 1HB ALA 76 0.760 -4.943 2.021 528 HB2 ALA 76 2HB ALA 76 1.744 -6.255 1.372 529 HB3 ALA 76 3HB ALA 76 0.022 -6.504 1.660 530 H SER 77 H SER 77 -0.791 -7.908 2.848 531 HA SER 77 HA SER 77 0.506 -10.417 3.685 532 HB2 SER 77 1HB SER 77 -2.303 -9.424 3.894 533 HB3 SER 77 2HB SER 77 -2.044 -11.156 3.687 534 HG SER 77 HG SER 77 -1.712 -9.633 5.889 535 H TYR 78 H TYR 78 -0.809 -12.344 2.549 536 HA TYR 78 HA TYR 78 0.080 -12.657 0.023 537 HB2 TYR 78 1HB TYR 78 -1.867 -14.241 -0.332 538 HB3 TYR 78 2HB TYR 78 -0.909 -14.524 1.117 539 HD1 TYR 78 1HD TYR 78 -1.813 -13.901 3.338 540 HD2 TYR 78 2HD TYR 78 -4.169 -13.620 -0.194 541 HE1 TYR 78 1HE TYR 78 -3.849 -13.779 4.713 542 HE2 TYR 78 2HE TYR 78 -6.211 -13.496 1.171 543 HH TYR 78 HH TYR 78 -6.099 -13.863 4.682 544 H GLN 79 H GLN 79 -2.586 -10.685 1.002 545 HA GLN 79 HA GLN 79 -2.951 -9.850 -1.785 546 HB2 GLN 79 1HB GLN 79 -5.425 -9.618 -1.280 547 HB3 GLN 79 2HB GLN 79 -4.825 -11.261 -1.464 548 HG2 GLN 79 1HG GLN 79 -6.076 -11.545 0.399 549 HG3 GLN 79 2HG GLN 79 -4.559 -11.068 1.159 550 HE21 GLN 79 1HE2 GLN 79 -7.675 -9.859 0.051 551 HE22 GLN 79 2HE2 GLN 79 -7.774 -8.552 1.176 552 H LEU 80 H LEU 80 -3.006 -7.700 -2.062 553 HA LEU 80 HA LEU 80 -2.721 -6.020 0.293 554 HB2 LEU 80 1HB LEU 80 -1.173 -5.742 -1.572 555 HB3 LEU 80 2HB LEU 80 -2.521 -5.368 -2.644 556 HG LEU 80 HG LEU 80 -2.964 -3.347 -1.218 557 HD11 LEU 80 1HD1 LEU 80 -1.592 -4.344 0.713 558 HD12 LEU 80 2HD1 LEU 80 -1.444 -2.618 0.385 559 HD13 LEU 80 3HD1 LEU 80 -0.188 -3.730 -0.159 560 HD21 LEU 80 1HD2 LEU 80 -0.822 -2.168 -2.073 561 HD22 LEU 80 2HD2 LEU 80 -1.948 -2.862 -3.241 562 HD23 LEU 80 3HD2 LEU 80 -0.467 -3.725 -2.822 563 H CYS 81 H CYS 81 -4.099 -4.393 0.894 564 HA CYS 81 HA CYS 81 -6.625 -4.181 -0.605 565 HB2 CYS 81 1HB CYS 81 -6.158 -4.551 2.331 566 HB3 CYS 81 2HB CYS 81 -7.577 -3.666 1.785 567 HG CYS 81 HG CYS 81 -8.224 -5.968 0.033 568 H LEU 82 H LEU 82 -6.921 -2.203 -1.367 569 HA LEU 82 HA LEU 82 -6.016 0.086 0.240 570 HB2 LEU 82 1HB LEU 82 -5.596 -0.385 -2.699 571 HB3 LEU 82 2HB LEU 82 -5.485 1.214 -1.967 572 HG LEU 82 HG LEU 82 -3.766 -1.112 -1.125 573 HD11 LEU 82 1HD1 LEU 82 -3.367 -0.616 -3.484 574 HD12 LEU 82 2HD1 LEU 82 -1.998 -0.133 -2.482 575 HD13 LEU 82 3HD1 LEU 82 -3.121 1.085 -3.087 576 HD21 LEU 82 1HD2 LEU 82 -3.017 0.261 0.447 577 HD22 LEU 82 2HD2 LEU 82 -4.243 1.437 -0.026 578 HD23 LEU 82 3HD2 LEU 82 -2.640 1.491 -0.760 579 H LYS 83 H LYS 83 -7.655 1.382 0.699 580 HA LYS 83 HA LYS 83 -10.119 1.206 -0.839 581 HB2 LYS 83 1HB LYS 83 -10.201 1.150 1.629 582 HB3 LYS 83 2HB LYS 83 -9.498 2.762 1.679 583 HG2 LYS 83 1HG LYS 83 -11.575 3.330 0.151 584 HG3 LYS 83 2HG LYS 83 -12.245 1.907 0.953 585 HD2 LYS 83 1HD LYS 83 -11.405 3.067 3.125 586 HD3 LYS 83 2HD LYS 83 -11.393 4.524 2.129 587 HE2 LYS 83 1HE LYS 83 -13.734 4.279 1.648 588 HE3 LYS 83 2HE LYS 83 -13.780 2.712 2.454 589 HZ1 LYS 83 1HZ LYS 83 -13.909 5.359 3.579 590 HZ2 LYS 83 2HZ LYS 83 -12.822 4.340 4.380 591 HZ3 LYS 83 3HZ LYS 83 -14.443 3.885 4.217 592 H ILE 84 H ILE 84 -10.309 2.450 -2.578 593 HA ILE 84 HA ILE 84 -9.037 5.099 -2.582 594 HB ILE 84 HB ILE 84 -9.419 5.042 -5.048 595 HG12 ILE 84 1HG1 ILE 84 -9.969 2.102 -4.733 596 HG13 ILE 84 2HG1 ILE 84 -11.285 3.270 -4.763 597 HG21 ILE 84 1HG2 ILE 84 -7.819 2.796 -5.135 598 HG22 ILE 84 2HG2 ILE 84 -7.275 4.454 -4.887 599 HG23 ILE 84 3HG2 ILE 84 -7.584 3.411 -3.499 600 HD11 ILE 84 1HD1 ILE 84 -9.914 4.018 -6.959 601 HD12 ILE 84 2HD1 ILE 84 -9.580 2.286 -6.935 602 HD13 ILE 84 3HD1 ILE 84 -11.246 2.863 -6.963 603 H ASP 85 H ASP 85 -10.214 6.880 -3.581 604 HA ASP 85 HA ASP 85 -13.031 6.815 -2.811 605 HB2 ASP 85 1HB ASP 85 -11.448 8.631 -2.016 606 HB3 ASP 85 2HB ASP 85 -11.429 9.223 -3.675 607 H ARG 86 H ARG 86 -12.245 5.446 -5.197 608 HA ARG 86 HA ARG 86 -12.571 5.395 -7.482 609 HB2 ARG 86 1HB ARG 86 -14.810 5.019 -6.239 610 HB3 ARG 86 2HB ARG 86 -15.229 6.627 -6.815 611 HG2 ARG 86 1HG ARG 86 -14.823 5.855 -9.131 612 HG3 ARG 86 2HG ARG 86 -14.542 4.231 -8.501 613 HD2 ARG 86 1HD ARG 86 -16.755 4.047 -9.006 614 HD3 ARG 86 2HD ARG 86 -16.892 4.669 -7.362 615 HE ARG 86 HE ARG 86 -17.719 6.643 -8.201 616 HH11 ARG 86 2HH1 ARG 86 -16.416 4.718 -10.793 617 HH12 ARG 86 1HH1 ARG 86 -17.065 5.726 -12.043 618 HH21 ARG 86 2HH2 ARG 86 -18.579 7.979 -9.838 619 HH22 ARG 86 1HH2 ARG 86 -18.294 7.581 -11.499 620 H ALA 87 H ALA 87 -11.302 7.847 -6.628 621 HA ALA 87 HA ALA 87 -12.510 10.064 -7.959 622 HB1 ALA 87 1HB ALA 87 -9.942 10.828 -7.729 623 HB2 ALA 87 2HB ALA 87 -11.106 10.906 -6.406 624 HB3 ALA 87 3HB ALA 87 -9.989 9.545 -6.520 625 H GLU 88 H GLU 88 -12.925 9.518 -10.088 626 HA GLU 88 HA GLU 88 -10.755 8.572 -11.773 627 HB2 GLU 88 1HB GLU 88 -12.505 8.580 -13.561 628 HB3 GLU 88 2HB GLU 88 -12.891 7.567 -12.177 629 HG2 GLU 88 1HG GLU 88 -14.466 9.125 -11.355 630 HG3 GLU 88 2HG GLU 88 -13.922 10.370 -12.478 631 H THR 89 H THR 89 -12.790 11.442 -11.412 632 HA THR 89 HA THR 89 -10.876 12.911 -13.106 633 HB THR 89 HB THR 89 -12.938 12.749 -14.340 634 HG1 THR 89 1HG THR 89 -13.296 14.945 -14.620 635 HG21 THR 89 1HG2 THR 89 -14.132 13.240 -11.702 636 HG22 THR 89 2HG2 THR 89 -14.773 12.363 -13.092 637 HG23 THR 89 3HG2 THR 89 -14.892 14.122 -13.026 638 H ARG 90 H ARG 90 -12.563 12.702 -10.132 639 HA ARG 90 HA ARG 90 -12.772 14.101 -8.330 640 HB2 ARG 90 1HB ARG 90 -9.943 14.217 -9.238 641 HB3 ARG 90 2HB ARG 90 -10.440 15.369 -8.007 642 HG2 ARG 90 1HG ARG 90 -11.154 12.517 -7.607 643 HG3 ARG 90 2HG ARG 90 -9.469 12.994 -7.392 644 HD2 ARG 90 1HD ARG 90 -11.799 14.338 -6.033 645 HD3 ARG 90 2HD ARG 90 -10.835 13.054 -5.304 646 HE ARG 90 HE ARG 90 -8.985 14.898 -6.014 647 HH11 ARG 90 2HH1 ARG 90 -11.936 15.044 -4.172 648 HH12 ARG 90 1HH1 ARG 90 -11.393 16.341 -3.159 649 HH21 ARG 90 2HH2 ARG 90 -8.259 16.605 -4.687 650 HH22 ARG 90 1HH2 ARG 90 -9.302 17.229 -3.454 651 H LEU 91 H LEU 91 -14.091 15.273 -10.336 652 HA LEU 91 HA LEU 91 -13.145 18.036 -10.540 653 HB2 LEU 91 1HB LEU 91 -14.339 18.231 -12.450 654 HB3 LEU 91 2HB LEU 91 -14.126 16.482 -12.456 655 HG LEU 91 HG LEU 91 -16.578 17.724 -11.259 656 HD11 LEU 91 1HD1 LEU 91 -16.462 16.847 -14.119 657 HD12 LEU 91 2HD1 LEU 91 -16.101 18.511 -13.663 658 HD13 LEU 91 3HD1 LEU 91 -17.683 17.821 -13.300 659 HD21 LEU 91 1HD2 LEU 91 -17.332 15.622 -11.137 660 HD22 LEU 91 2HD2 LEU 91 -15.647 15.152 -11.358 661 HD23 LEU 91 3HD2 LEU 91 -16.735 15.215 -12.745 662 H TRP 92 H TRP 92 -15.590 16.080 -9.048 663 HA TRP 92 HA TRP 92 -16.357 18.207 -7.305 664 HB2 TRP 92 1HB TRP 92 -17.678 18.472 -9.575 665 HB3 TRP 92 2HB TRP 92 -18.669 17.180 -8.901 666 HD1 TRP 92 HD TRP 92 -19.632 17.786 -6.287 667 HE1 TRP 92 1HE TRP 92 -20.629 20.019 -5.485 668 HE3 TRP 92 3HE TRP 92 -17.702 20.872 -9.877 669 HZ2 TRP 92 2HZ TRP 92 -20.603 22.730 -6.272 670 HZ3 TRP 92 3HZ TRP 92 -18.237 23.272 -9.781 671 HH2 TRP 92 HH TRP 92 -19.658 24.180 -8.015 672 H SER 93 H SER 93 -16.222 17.046 -5.491 673 HA SER 93 HA SER 93 -18.071 14.851 -5.097 674 HB2 SER 93 1HB SER 93 -16.513 13.173 -4.587 675 HB3 SER 93 2HB SER 93 -15.832 13.935 -6.024 676 HG SER 93 HG SER 93 -14.786 15.315 -4.183 677 HA PRO 94 HA PRO 94 -18.268 16.650 -1.088 678 HB2 PRO 94 1HB PRO 94 -19.294 14.551 0.294 679 HB3 PRO 94 2HB PRO 94 -20.250 15.515 -0.837 680 HG2 PRO 94 1HG PRO 94 -18.933 12.859 -1.254 681 HG3 PRO 94 2HG PRO 94 -20.545 13.399 -1.757 682 HD2 PRO 94 1HD PRO 94 -18.442 13.312 -3.460 683 HD3 PRO 94 2HD PRO 94 -19.733 14.523 -3.598 684 H GLN 95 H GLN 95 -17.902 15.635 1.333 685 HA GLN 95 HA GLN 95 -15.106 14.729 1.300 686 HB2 GLN 95 1HB GLN 95 -15.808 16.960 2.387 687 HB3 GLN 95 2HB GLN 95 -16.494 15.965 3.665 688 HG2 GLN 95 1HG GLN 95 -14.407 16.468 4.491 689 HG3 GLN 95 2HG GLN 95 -14.152 14.884 3.760 690 HE21 GLN 95 1HE2 GLN 95 -13.024 18.001 3.977 691 HE22 GLN 95 2HE2 GLN 95 -11.982 18.010 2.600 692 H VAL 96 H VAL 96 -16.810 12.707 0.887 693 HA VAL 96 HA VAL 96 -16.455 11.107 3.269 694 HB VAL 96 HB VAL 96 -19.227 11.446 2.114 695 HG11 VAL 96 1HG1 VAL 96 -19.654 9.461 3.012 696 HG12 VAL 96 2HG1 VAL 96 -18.014 9.356 3.657 697 HG13 VAL 96 3HG1 VAL 96 -19.285 10.137 4.599 698 HG21 VAL 96 1HG2 VAL 96 -18.032 12.393 4.714 699 HG22 VAL 96 2HG2 VAL 96 -18.682 13.387 3.411 700 HG23 VAL 96 3HG2 VAL 96 -19.761 12.372 4.368 701 H SER 97 H SER 97 -15.894 9.096 2.723 702 HA SER 97 HA SER 97 -16.576 8.149 0.016 703 HB2 SER 97 1HB SER 97 -14.054 7.316 1.425 704 HB3 SER 97 2HB SER 97 -14.426 7.273 -0.298 705 HG SER 97 HG SER 97 -13.213 9.037 -0.169 706 H SER 98 H SER 98 -17.992 7.697 2.517 707 HA SER 98 HA SER 98 -18.082 4.800 2.394 708 HB2 SER 98 1HB SER 98 -16.424 5.178 4.157 709 HB3 SER 98 2HB SER 98 -17.547 6.245 5.002 710 HG SER 98 HG SER 98 -17.337 3.615 5.203 711 H GLY 99 H GLY 99 -19.939 3.934 3.690 712 HA2 GLY 99 1HA GLY 99 -21.993 5.809 4.469 713 HA3 GLY 99 2HA GLY 99 -22.340 4.961 2.969 714 HA PRO 100 HA PRO 100 -24.167 2.338 6.229 715 HB2 PRO 100 1HB PRO 100 -26.162 1.402 4.644 716 HB3 PRO 100 2HB PRO 100 -26.259 2.946 5.499 717 HG2 PRO 100 1HG PRO 100 -25.561 2.406 2.638 718 HG3 PRO 100 2HG PRO 100 -26.604 3.669 3.316 719 HD2 PRO 100 1HD PRO 100 -24.050 4.143 2.551 720 HD3 PRO 100 2HD PRO 100 -24.819 5.006 3.899 721 H SER 101 H SER 101 -23.341 1.615 2.880 722 HA SER 101 HA SER 101 -23.547 -1.106 2.770 723 HB2 SER 101 1HB SER 101 -21.560 -1.036 1.221 724 HB3 SER 101 2HB SER 101 -22.834 0.119 0.830 725 HG SER 101 HG SER 101 -21.504 1.700 1.221 726 H SER 102 H SER 102 -20.769 0.725 4.032 727 HA SER 102 HA SER 102 -19.739 -1.756 5.220 728 HB2 SER 102 1HB SER 102 -18.299 -0.215 3.719 729 HB3 SER 102 2HB SER 102 -18.241 0.853 5.121 730 HG SER 102 HG SER 102 -16.666 -1.136 4.679 731 H GLY 103 H GLY 103 -19.882 -2.089 7.341 732 HA2 GLY 103 1HA GLY 103 -19.380 -0.616 9.479 733 HA3 GLY 103 2HA GLY 103 -20.936 0.057 9.019 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -22.640 -6.149 1.479 2 HA2 GLY 1 1HA GLY 1 -22.999 -7.033 -0.622 3 HA3 GLY 1 2HA GLY 1 -23.573 -5.454 -1.138 4 H SER 2 H SER 2 -22.414 -4.571 -2.700 5 HA SER 2 HA SER 2 -19.566 -5.293 -2.909 6 HB2 SER 2 1HB SER 2 -21.295 -5.868 -4.789 7 HB3 SER 2 2HB SER 2 -21.136 -4.161 -5.203 8 HG SER 2 HG SER 2 -18.963 -5.970 -4.962 9 H SER 3 H SER 3 -21.829 -2.623 -3.573 10 HA SER 3 HA SER 3 -19.601 -0.735 -3.258 11 HB2 SER 3 1HB SER 3 -20.893 -0.572 -5.359 12 HB3 SER 3 2HB SER 3 -22.357 -0.269 -4.424 13 HG SER 3 HG SER 3 -20.758 1.533 -5.298 14 H GLY 4 H GLY 4 -19.438 -0.453 -1.074 15 HA2 GLY 4 1HA GLY 4 -21.879 0.381 0.357 16 HA3 GLY 4 2HA GLY 4 -20.458 -0.316 1.120 17 H SER 5 H SER 5 -20.802 2.332 -1.229 18 HA SER 5 HA SER 5 -20.125 4.504 -1.179 19 HB2 SER 5 1HB SER 5 -20.365 4.159 1.820 20 HB3 SER 5 2HB SER 5 -20.219 5.701 0.976 21 HG SER 5 HG SER 5 -22.255 3.979 0.166 22 H SER 6 H SER 6 -18.137 2.636 -1.499 23 HA SER 6 HA SER 6 -15.824 4.117 -0.846 24 HB2 SER 6 1HB SER 6 -14.729 2.568 0.697 25 HB3 SER 6 2HB SER 6 -16.234 3.161 1.398 26 HG SER 6 HG SER 6 -16.821 0.983 0.033 27 H GLY 7 H GLY 7 -14.329 3.681 -2.342 28 HA2 GLY 7 1HA GLY 7 -14.804 1.602 -4.259 29 HA3 GLY 7 2HA GLY 7 -13.455 2.729 -4.255 30 H ASN 8 H ASN 8 -14.649 -0.326 -3.006 31 HA ASN 8 HA ASN 8 -12.257 -1.005 -1.608 32 HB2 ASN 8 1HB ASN 8 -13.242 -3.222 -1.387 33 HB3 ASN 8 2HB ASN 8 -14.458 -1.992 -1.056 34 HD21 ASN 8 1HD2 ASN 8 -13.331 -4.364 -3.352 35 HD22 ASN 8 2HD2 ASN 8 -14.800 -4.475 -4.255 36 H VAL 9 H VAL 9 -10.448 -1.960 -2.319 37 HA VAL 9 HA VAL 9 -10.433 -3.320 -4.902 38 HB VAL 9 HB VAL 9 -8.674 -0.960 -4.243 39 HG11 VAL 9 1HG1 VAL 9 -7.353 -2.854 -5.153 40 HG12 VAL 9 2HG1 VAL 9 -8.390 -2.843 -6.581 41 HG13 VAL 9 3HG1 VAL 9 -7.380 -1.444 -6.211 42 HG21 VAL 9 1HG2 VAL 9 -11.026 -0.788 -5.355 43 HG22 VAL 9 2HG2 VAL 9 -9.673 0.132 -6.015 44 HG23 VAL 9 3HG2 VAL 9 -10.181 -1.369 -6.790 45 H VAL 10 H VAL 10 -9.671 -5.264 -4.387 46 HA VAL 10 HA VAL 10 -7.379 -5.428 -2.539 47 HB VAL 10 HB VAL 10 -9.231 -7.726 -3.105 48 HG11 VAL 10 1HG1 VAL 10 -7.600 -7.115 -0.650 49 HG12 VAL 10 2HG1 VAL 10 -8.358 -8.644 -1.101 50 HG13 VAL 10 3HG1 VAL 10 -6.977 -8.039 -2.017 51 HG21 VAL 10 1HG2 VAL 10 -9.852 -6.619 -0.583 52 HG22 VAL 10 2HG2 VAL 10 -9.924 -5.305 -1.758 53 HG23 VAL 10 3HG2 VAL 10 -10.896 -6.757 -1.998 54 H LEU 11 H LEU 11 -5.543 -5.826 -3.571 55 HA LEU 11 HA LEU 11 -5.576 -7.174 -6.154 56 HB2 LEU 11 1HB LEU 11 -3.161 -6.106 -4.722 57 HB3 LEU 11 2HB LEU 11 -3.365 -6.407 -6.446 58 HG LEU 11 HG LEU 11 -4.859 -4.263 -4.946 59 HD11 LEU 11 1HD1 LEU 11 -2.481 -3.799 -6.713 60 HD12 LEU 11 2HD1 LEU 11 -2.311 -4.043 -4.975 61 HD13 LEU 11 3HD1 LEU 11 -3.259 -2.687 -5.586 62 HD21 LEU 11 1HD2 LEU 11 -5.959 -4.900 -6.972 63 HD22 LEU 11 2HD2 LEU 11 -4.442 -4.860 -7.871 64 HD23 LEU 11 3HD2 LEU 11 -5.141 -3.362 -7.255 65 HA PRO 12 HA PRO 12 -4.455 -11.087 -4.443 66 HB2 PRO 12 1HB PRO 12 -3.574 -12.255 -6.729 67 HB3 PRO 12 2HB PRO 12 -5.287 -11.992 -6.383 68 HG2 PRO 12 1HG PRO 12 -3.430 -10.377 -8.087 69 HG3 PRO 12 2HG PRO 12 -5.105 -10.863 -8.408 70 HD2 PRO 12 1HD PRO 12 -4.449 -8.388 -7.527 71 HD3 PRO 12 2HD PRO 12 -5.977 -9.182 -7.094 72 H GLY 13 H GLY 13 -2.698 -11.434 -3.244 73 HA2 GLY 13 1HA GLY 13 -0.062 -10.792 -4.415 74 HA3 GLY 13 2HA GLY 13 -0.434 -10.641 -2.704 75 HA PRO 14 HA PRO 14 0.999 -11.015 -1.450 76 HB2 PRO 14 1HB PRO 14 3.588 -11.735 -1.066 77 HB3 PRO 14 2HB PRO 14 2.261 -12.361 -0.081 78 HG2 PRO 14 1HG PRO 14 3.660 -13.632 -2.402 79 HG3 PRO 14 2HG PRO 14 3.163 -14.357 -0.862 80 HD2 PRO 14 1HD PRO 14 1.743 -14.671 -3.147 81 HD3 PRO 14 2HD PRO 14 0.977 -14.615 -1.546 82 H ALA 15 H ALA 15 3.076 -9.577 -1.658 83 HA ALA 15 HA ALA 15 3.082 -8.349 -4.125 84 HB1 ALA 15 1HB ALA 15 4.525 -8.088 -1.673 85 HB2 ALA 15 2HB ALA 15 5.639 -7.908 -3.029 86 HB3 ALA 15 3HB ALA 15 4.214 -6.875 -2.915 87 HA PRO 16 HA PRO 16 5.193 -6.994 -4.844 88 HB2 PRO 16 1HB PRO 16 5.523 -6.511 -7.496 89 HB3 PRO 16 2HB PRO 16 6.875 -6.826 -6.401 90 HG2 PRO 16 1HG PRO 16 5.491 -8.693 -8.289 91 HG3 PRO 16 2HG PRO 16 7.226 -8.504 -7.973 92 HD2 PRO 16 1HD PRO 16 5.756 -10.502 -6.887 93 HD3 PRO 16 2HD PRO 16 7.142 -9.773 -6.050 94 H TRP 17 H TRP 17 3.902 -5.383 -6.307 95 HA TRP 17 HA TRP 17 1.280 -6.608 -6.866 96 HB2 TRP 17 1HB TRP 17 1.821 -3.764 -5.988 97 HB3 TRP 17 2HB TRP 17 0.244 -4.522 -6.190 98 HD1 TRP 17 HD TRP 17 2.624 -3.675 -3.568 99 HE1 TRP 17 1HE TRP 17 2.159 -5.005 -1.414 100 HE3 TRP 17 3HE TRP 17 -0.522 -7.227 -5.471 101 HZ2 TRP 17 2HZ TRP 17 0.658 -7.262 -0.626 102 HZ3 TRP 17 3HZ TRP 17 -1.429 -8.936 -3.950 103 HH2 TRP 17 HH TRP 17 -0.849 -8.952 -1.578 104 H GLY 18 H GLY 18 3.309 -3.807 -7.753 105 HA2 GLY 18 1HA GLY 18 3.917 -3.421 -10.054 106 HA3 GLY 18 2HA GLY 18 2.402 -4.171 -10.533 107 H PHE 19 H PHE 19 2.815 -1.750 -8.003 108 HA PHE 19 HA PHE 19 1.683 0.318 -9.714 109 HB2 PHE 19 1HB PHE 19 -0.274 0.656 -8.541 110 HB3 PHE 19 2HB PHE 19 -0.127 -1.093 -8.415 111 HD1 PHE 19 1HD PHE 19 0.243 2.090 -6.622 112 HD2 PHE 19 2HD PHE 19 0.291 -2.156 -6.320 113 HE1 PHE 19 1HE PHE 19 0.170 2.267 -4.169 114 HE2 PHE 19 2HE PHE 19 0.217 -1.985 -3.867 115 HZ PHE 19 HZ PHE 19 0.156 0.228 -2.788 116 H ARG 20 H ARG 20 2.337 2.341 -9.178 117 HA ARG 20 HA ARG 20 4.194 2.552 -6.921 118 HB2 ARG 20 1HB ARG 20 3.801 4.549 -9.147 119 HB3 ARG 20 2HB ARG 20 5.155 4.435 -8.031 120 HG2 ARG 20 1HG ARG 20 4.456 2.494 -10.223 121 HG3 ARG 20 2HG ARG 20 5.820 3.613 -10.186 122 HD2 ARG 20 1HD ARG 20 5.440 1.526 -8.064 123 HD3 ARG 20 2HD ARG 20 6.252 1.155 -9.584 124 HE ARG 20 HE ARG 20 7.283 2.723 -7.399 125 HH11 ARG 20 2HH1 ARG 20 7.513 2.021 -10.802 126 HH12 ARG 20 1HH1 ARG 20 9.153 2.564 -10.936 127 HH21 ARG 20 2HH2 ARG 20 9.442 3.441 -7.564 128 HH22 ARG 20 1HH2 ARG 20 10.249 3.370 -9.093 129 H LEU 21 H LEU 21 4.263 4.910 -6.011 130 HA LEU 21 HA LEU 21 1.612 6.086 -5.751 131 HB2 LEU 21 1HB LEU 21 1.883 6.108 -3.240 132 HB3 LEU 21 2HB LEU 21 1.471 4.560 -3.975 133 HG LEU 21 HG LEU 21 3.587 3.662 -3.549 134 HD11 LEU 21 1HD1 LEU 21 4.485 6.506 -3.195 135 HD12 LEU 21 2HD1 LEU 21 5.056 5.308 -4.356 136 HD13 LEU 21 3HD1 LEU 21 5.449 5.134 -2.646 137 HD21 LEU 21 1HD2 LEU 21 2.154 4.043 -1.529 138 HD22 LEU 21 2HD2 LEU 21 3.126 5.476 -1.188 139 HD23 LEU 21 3HD2 LEU 21 3.879 3.880 -1.195 140 H SER 22 H SER 22 1.654 8.172 -4.636 141 HA SER 22 HA SER 22 4.236 9.411 -4.207 142 HB2 SER 22 1HB SER 22 4.111 9.759 -6.568 143 HB3 SER 22 2HB SER 22 2.416 10.238 -6.474 144 HG SER 22 HG SER 22 3.004 12.143 -5.541 145 H GLY 23 H GLY 23 4.129 11.303 -2.991 146 HA2 GLY 23 1HA GLY 23 2.821 13.166 -2.120 147 HA3 GLY 23 2HA GLY 23 1.428 12.095 -2.100 148 H GLY 24 H GLY 24 1.038 12.510 0.098 149 HA2 GLY 24 1HA GLY 24 1.564 10.829 2.016 150 HA3 GLY 24 2HA GLY 24 3.118 11.649 1.982 151 H ILE 25 H ILE 25 0.690 11.460 3.899 152 HA ILE 25 HA ILE 25 -0.570 13.880 4.222 153 HB ILE 25 HB ILE 25 -0.662 13.375 6.656 154 HG12 ILE 25 1HG1 ILE 25 1.017 10.969 5.918 155 HG13 ILE 25 2HG1 ILE 25 1.615 12.371 6.798 156 HG21 ILE 25 1HG2 ILE 25 -1.892 12.102 4.582 157 HG22 ILE 25 2HG2 ILE 25 -1.246 10.748 5.508 158 HG23 ILE 25 3HG2 ILE 25 -2.319 11.914 6.282 159 HD11 ILE 25 1HD1 ILE 25 -0.727 10.829 7.823 160 HD12 ILE 25 2HD1 ILE 25 0.920 10.265 8.104 161 HD13 ILE 25 3HD1 ILE 25 0.415 11.846 8.701 162 H ASP 26 H ASP 26 2.721 13.009 5.065 163 HA ASP 26 HA ASP 26 3.280 15.343 6.597 164 HB2 ASP 26 1HB ASP 26 4.817 13.715 7.089 165 HB3 ASP 26 2HB ASP 26 4.865 13.110 5.435 166 H PHE 27 H PHE 27 3.367 14.568 3.201 167 HA PHE 27 HA PHE 27 4.742 17.064 2.564 168 HB2 PHE 27 1HB PHE 27 3.789 14.837 0.749 169 HB3 PHE 27 2HB PHE 27 4.748 16.227 0.249 170 HD1 PHE 27 1HD PHE 27 4.772 13.042 2.044 171 HD2 PHE 27 2HD PHE 27 7.095 16.377 0.780 172 HE1 PHE 27 1HE PHE 27 6.831 11.798 2.558 173 HE2 PHE 27 2HE PHE 27 9.158 15.139 1.291 174 HZ PHE 27 HZ PHE 27 9.028 12.846 2.181 175 H ASN 28 H ASN 28 1.889 16.733 3.605 176 HA ASN 28 HA ASN 28 -0.207 17.559 3.214 177 HB2 ASN 28 1HB ASN 28 -0.224 19.869 2.322 178 HB3 ASN 28 2HB ASN 28 1.018 19.636 3.548 179 HD21 ASN 28 1HD2 ASN 28 2.969 20.343 3.083 180 HD22 ASN 28 2HD2 ASN 28 3.580 20.673 1.501 181 H GLN 29 H GLN 29 0.488 15.575 1.372 182 HA GLN 29 HA GLN 29 -1.164 16.396 -0.893 183 HB2 GLN 29 1HB GLN 29 1.619 15.277 -1.079 184 HB3 GLN 29 2HB GLN 29 0.459 15.042 -2.379 185 HG2 GLN 29 1HG GLN 29 0.180 17.567 -2.375 186 HG3 GLN 29 2HG GLN 29 1.623 17.611 -1.364 187 HE21 GLN 29 1HE2 GLN 29 0.350 17.021 -4.523 188 HE22 GLN 29 2HE2 GLN 29 1.866 16.912 -5.344 189 HA PRO 30 HA PRO 30 -3.072 12.502 -0.134 190 HB2 PRO 30 1HB PRO 30 -4.315 12.166 -2.524 191 HB3 PRO 30 2HB PRO 30 -4.867 13.325 -1.309 192 HG2 PRO 30 1HG PRO 30 -3.215 13.794 -3.761 193 HG3 PRO 30 2HG PRO 30 -4.564 14.751 -3.121 194 HD2 PRO 30 1HD PRO 30 -1.975 15.455 -2.756 195 HD3 PRO 30 2HD PRO 30 -3.238 15.806 -1.558 196 H LEU 31 H LEU 31 -2.595 10.378 -0.378 197 HA LEU 31 HA LEU 31 -0.318 9.673 -1.984 198 HB2 LEU 31 1HB LEU 31 -2.115 8.082 -0.168 199 HB3 LEU 31 2HB LEU 31 -0.752 7.380 -1.038 200 HG LEU 31 HG LEU 31 -0.307 9.711 0.781 201 HD11 LEU 31 1HD1 LEU 31 -1.404 8.406 2.332 202 HD12 LEU 31 2HD1 LEU 31 0.258 7.842 2.499 203 HD13 LEU 31 3HD1 LEU 31 -0.906 6.894 1.573 204 HD21 LEU 31 1HD2 LEU 31 1.276 7.658 -0.599 205 HD22 LEU 31 2HD2 LEU 31 1.763 7.981 1.066 206 HD23 LEU 31 3HD2 LEU 31 1.713 9.295 -0.110 207 H VAL 32 H VAL 32 -0.792 9.711 -4.133 208 HA VAL 32 HA VAL 32 -2.969 7.946 -5.049 209 HB VAL 32 HB VAL 32 -2.979 9.276 -7.143 210 HG11 VAL 32 1HG1 VAL 32 -3.829 10.176 -4.514 211 HG12 VAL 32 2HG1 VAL 32 -3.637 11.506 -5.658 212 HG13 VAL 32 3HG1 VAL 32 -4.708 10.158 -6.042 213 HG21 VAL 32 1HG2 VAL 32 -1.256 10.604 -7.594 214 HG22 VAL 32 2HG2 VAL 32 -1.791 11.675 -6.299 215 HG23 VAL 32 3HG2 VAL 32 -0.618 10.402 -5.962 216 H ILE 33 H ILE 33 -2.588 6.882 -7.147 217 HA ILE 33 HA ILE 33 -0.072 5.547 -7.155 218 HB ILE 33 HB ILE 33 -2.288 5.486 -9.207 219 HG12 ILE 33 1HG1 ILE 33 -1.673 3.358 -7.173 220 HG13 ILE 33 2HG1 ILE 33 -2.710 4.720 -6.766 221 HG21 ILE 33 1HG2 ILE 33 -1.183 3.884 -10.359 222 HG22 ILE 33 2HG2 ILE 33 0.227 4.690 -9.672 223 HG23 ILE 33 3HG2 ILE 33 -0.407 3.227 -8.917 224 HD11 ILE 33 1HD1 ILE 33 -3.223 2.919 -9.112 225 HD12 ILE 33 2HD1 ILE 33 -3.880 2.628 -7.501 226 HD13 ILE 33 3HD1 ILE 33 -4.315 4.094 -8.380 227 H THR 34 H THR 34 1.677 5.795 -8.446 228 HA THR 34 HA THR 34 1.724 8.183 -10.147 229 HB THR 34 HB THR 34 4.317 7.371 -10.069 230 HG1 THR 34 1HG THR 34 3.419 6.893 -7.430 231 HG21 THR 34 1HG2 THR 34 2.916 9.067 -7.998 232 HG22 THR 34 2HG2 THR 34 3.484 9.620 -9.574 233 HG23 THR 34 3HG2 THR 34 4.642 9.089 -8.355 234 H ARG 35 H ARG 35 2.223 4.716 -10.199 235 HA ARG 35 HA ARG 35 2.032 4.727 -13.090 236 HB2 ARG 35 1HB ARG 35 4.538 4.090 -11.627 237 HB3 ARG 35 2HB ARG 35 4.107 3.037 -12.967 238 HG2 ARG 35 1HG ARG 35 4.177 6.016 -13.281 239 HG3 ARG 35 2HG ARG 35 5.632 5.030 -13.442 240 HD2 ARG 35 1HD ARG 35 4.612 3.755 -15.228 241 HD3 ARG 35 2HD ARG 35 3.096 4.632 -15.023 242 HE ARG 35 HE ARG 35 5.237 6.414 -15.559 243 HH11 ARG 35 2HH1 ARG 35 3.113 4.111 -17.075 244 HH12 ARG 35 1HH1 ARG 35 3.198 4.862 -18.634 245 HH21 ARG 35 2HH2 ARG 35 5.357 7.413 -17.606 246 HH22 ARG 35 1HH2 ARG 35 4.476 6.740 -18.935 247 H ILE 36 H ILE 36 1.662 2.597 -13.979 248 HA ILE 36 HA ILE 36 0.990 0.521 -12.022 249 HB ILE 36 HB ILE 36 -0.896 1.529 -14.154 250 HG12 ILE 36 1HG1 ILE 36 -0.787 2.844 -12.031 251 HG13 ILE 36 2HG1 ILE 36 -2.359 2.109 -12.324 252 HG21 ILE 36 1HG2 ILE 36 -2.435 -0.219 -13.122 253 HG22 ILE 36 2HG2 ILE 36 -1.147 -0.804 -14.173 254 HG23 ILE 36 3HG2 ILE 36 -0.977 -0.922 -12.422 255 HD11 ILE 36 1HD1 ILE 36 -0.258 0.944 -10.516 256 HD12 ILE 36 2HD1 ILE 36 -1.593 1.962 -9.976 257 HD13 ILE 36 3HD1 ILE 36 -1.922 0.395 -10.715 258 H THR 37 H THR 37 1.684 -1.422 -12.632 259 HA THR 37 HA THR 37 3.141 -1.814 -15.008 260 HB THR 37 HB THR 37 1.972 -4.110 -13.466 261 HG1 THR 37 1HG THR 37 4.357 -2.918 -12.594 262 HG21 THR 37 1HG2 THR 37 4.564 -3.588 -14.912 263 HG22 THR 37 2HG2 THR 37 3.315 -4.766 -15.315 264 HG23 THR 37 3HG2 THR 37 4.306 -4.989 -13.874 265 HA PRO 38 HA PRO 38 -0.394 -2.449 -17.685 266 HB2 PRO 38 1HB PRO 38 1.063 -2.664 -19.966 267 HB3 PRO 38 2HB PRO 38 0.693 -1.112 -19.205 268 HG2 PRO 38 1HG PRO 38 3.195 -2.748 -19.052 269 HG3 PRO 38 2HG PRO 38 3.015 -0.996 -19.255 270 HD2 PRO 38 1HD PRO 38 3.610 -2.132 -16.870 271 HD3 PRO 38 2HD PRO 38 2.649 -0.645 -17.007 272 H GLY 39 H GLY 39 -0.952 -4.520 -16.864 273 HA2 GLY 39 1HA GLY 39 -1.474 -6.690 -17.765 274 HA3 GLY 39 2HA GLY 39 0.123 -6.722 -18.498 275 H SER 40 H SER 40 -1.203 -6.270 -15.216 276 HA SER 40 HA SER 40 0.125 -8.627 -14.253 277 HB2 SER 40 1HB SER 40 1.851 -7.727 -13.035 278 HB3 SER 40 2HB SER 40 1.811 -6.560 -14.356 279 HG SER 40 HG SER 40 0.327 -5.343 -12.944 280 H LYS 41 H LYS 41 0.094 -8.346 -11.617 281 HA LYS 41 HA LYS 41 -2.577 -8.548 -10.889 282 HB2 LYS 41 1HB LYS 41 -0.307 -7.778 -9.050 283 HB3 LYS 41 2HB LYS 41 -1.818 -8.552 -8.593 284 HG2 LYS 41 1HG LYS 41 -0.093 -9.924 -10.581 285 HG3 LYS 41 2HG LYS 41 0.415 -9.921 -8.891 286 HD2 LYS 41 1HD LYS 41 -1.546 -11.034 -8.196 287 HD3 LYS 41 2HD LYS 41 -2.357 -10.730 -9.734 288 HE2 LYS 41 1HE LYS 41 -1.691 -13.023 -9.697 289 HE3 LYS 41 2HE LYS 41 -0.644 -12.176 -10.834 290 HZ1 LYS 41 1HZ LYS 41 0.047 -13.597 -8.468 291 HZ2 LYS 41 2HZ LYS 41 0.641 -12.015 -8.414 292 HZ3 LYS 41 3HZ LYS 41 1.049 -13.028 -9.707 293 H ALA 42 H ALA 42 -0.552 -5.747 -11.168 294 HA ALA 42 HA ALA 42 -2.190 -4.006 -9.594 295 HB1 ALA 42 1HB ALA 42 0.223 -3.615 -10.008 296 HB2 ALA 42 2HB ALA 42 -0.160 -3.262 -11.694 297 HB3 ALA 42 3HB ALA 42 -0.791 -2.229 -10.412 298 H ALA 43 H ALA 43 -1.439 -3.701 -13.060 299 HA ALA 43 HA ALA 43 -3.613 -2.116 -13.721 300 HB1 ALA 43 1HB ALA 43 -1.984 -2.179 -15.350 301 HB2 ALA 43 2HB ALA 43 -1.850 -3.937 -15.300 302 HB3 ALA 43 3HB ALA 43 -3.245 -3.181 -16.069 303 H ALA 44 H ALA 44 -3.322 -5.653 -13.857 304 HA ALA 44 HA ALA 44 -5.792 -6.243 -14.989 305 HB1 ALA 44 1HB ALA 44 -4.527 -7.935 -12.854 306 HB2 ALA 44 2HB ALA 44 -5.488 -8.449 -14.241 307 HB3 ALA 44 3HB ALA 44 -3.859 -7.819 -14.482 308 H ALA 45 H ALA 45 -5.126 -4.828 -11.988 309 HA ALA 45 HA ALA 45 -7.674 -5.685 -10.822 310 HB1 ALA 45 1HB ALA 45 -5.134 -4.651 -9.738 311 HB2 ALA 45 2HB ALA 45 -6.602 -4.122 -8.915 312 HB3 ALA 45 3HB ALA 45 -6.253 -5.843 -9.076 313 H ASN 46 H ASN 46 -7.232 -3.696 -13.082 314 HA ASN 46 HA ASN 46 -8.196 -1.774 -13.822 315 HB2 ASN 46 1HB ASN 46 -9.844 -1.757 -11.296 316 HB3 ASN 46 2HB ASN 46 -10.265 -1.093 -12.872 317 HD21 ASN 46 1HD2 ASN 46 -11.828 -2.896 -11.340 318 HD22 ASN 46 2HD2 ASN 46 -11.989 -4.353 -12.254 319 H LEU 47 H LEU 47 -5.844 -1.709 -12.073 320 HA LEU 47 HA LEU 47 -6.140 0.716 -10.510 321 HB2 LEU 47 1HB LEU 47 -3.715 -0.980 -11.085 322 HB3 LEU 47 2HB LEU 47 -3.768 0.377 -9.961 323 HG LEU 47 HG LEU 47 -5.385 -2.152 -9.660 324 HD11 LEU 47 1HD1 LEU 47 -3.288 -1.663 -7.712 325 HD12 LEU 47 2HD1 LEU 47 -2.659 -1.902 -9.342 326 HD13 LEU 47 3HD1 LEU 47 -3.686 -3.131 -8.605 327 HD21 LEU 47 1HD2 LEU 47 -4.866 0.153 -7.785 328 HD22 LEU 47 2HD2 LEU 47 -5.741 -1.323 -7.378 329 HD23 LEU 47 3HD2 LEU 47 -6.392 -0.216 -8.589 330 H CYS 48 H CYS 48 -5.370 2.706 -11.028 331 HA CYS 48 HA CYS 48 -3.784 3.031 -13.460 332 HB2 CYS 48 1HB CYS 48 -6.558 4.046 -13.033 333 HB3 CYS 48 2HB CYS 48 -5.423 5.068 -13.907 334 HG CYS 48 HG CYS 48 -5.412 1.945 -15.044 335 HA PRO 49 HA PRO 49 -1.671 6.019 -11.024 336 HB2 PRO 49 1HB PRO 49 -0.576 7.526 -12.999 337 HB3 PRO 49 2HB PRO 49 0.001 5.905 -12.595 338 HG2 PRO 49 1HG PRO 49 -1.831 6.769 -14.799 339 HG3 PRO 49 2HG PRO 49 -0.488 5.611 -14.849 340 HD2 PRO 49 1HD PRO 49 -3.077 4.833 -14.687 341 HD3 PRO 49 2HD PRO 49 -1.754 3.911 -13.944 342 H GLY 50 H GLY 50 -3.241 7.222 -9.980 343 HA2 GLY 50 1HA GLY 50 -3.510 9.864 -10.286 344 HA3 GLY 50 2HA GLY 50 -4.700 9.272 -11.436 345 H ASP 51 H ASP 51 -5.151 6.903 -9.597 346 HA ASP 51 HA ASP 51 -7.423 7.886 -8.280 347 HB2 ASP 51 1HB ASP 51 -5.857 5.329 -8.074 348 HB3 ASP 51 2HB ASP 51 -7.212 5.641 -6.992 349 H VAL 52 H VAL 52 -7.870 8.048 -6.015 350 HA VAL 52 HA VAL 52 -5.556 9.031 -4.502 351 HB VAL 52 HB VAL 52 -8.509 9.477 -4.048 352 HG11 VAL 52 1HG1 VAL 52 -6.381 9.639 -2.213 353 HG12 VAL 52 2HG1 VAL 52 -6.818 11.297 -2.631 354 HG13 VAL 52 3HG1 VAL 52 -8.041 10.193 -2.000 355 HG21 VAL 52 1HG2 VAL 52 -7.648 11.904 -4.512 356 HG22 VAL 52 2HG2 VAL 52 -6.344 11.065 -5.351 357 HG23 VAL 52 3HG2 VAL 52 -8.017 10.819 -5.852 358 H ILE 53 H ILE 53 -4.699 7.719 -3.043 359 HA ILE 53 HA ILE 53 -6.132 5.401 -2.092 360 HB ILE 53 HB ILE 53 -3.405 6.379 -1.245 361 HG12 ILE 53 1HG1 ILE 53 -3.927 5.843 -3.781 362 HG13 ILE 53 2HG1 ILE 53 -2.435 5.290 -3.028 363 HG21 ILE 53 1HG2 ILE 53 -3.262 3.744 -0.974 364 HG22 ILE 53 2HG2 ILE 53 -3.878 4.784 0.309 365 HG23 ILE 53 3HG2 ILE 53 -5.001 3.929 -0.747 366 HD11 ILE 53 1HD1 ILE 53 -4.067 3.714 -4.456 367 HD12 ILE 53 2HD1 ILE 53 -3.019 3.126 -3.164 368 HD13 ILE 53 3HD1 ILE 53 -4.722 3.450 -2.840 369 H LEU 54 H LEU 54 -7.561 5.594 -0.501 370 HA LEU 54 HA LEU 54 -7.330 7.707 1.468 371 HB2 LEU 54 1HB LEU 54 -9.388 5.560 1.005 372 HB3 LEU 54 2HB LEU 54 -9.476 6.724 2.326 373 HG LEU 54 HG LEU 54 -9.371 7.582 -0.554 374 HD11 LEU 54 1HD1 LEU 54 -11.559 7.220 -0.875 375 HD12 LEU 54 2HD1 LEU 54 -11.976 7.622 0.790 376 HD13 LEU 54 3HD1 LEU 54 -11.373 6.013 0.396 377 HD21 LEU 54 1HD2 LEU 54 -9.375 8.915 1.962 378 HD22 LEU 54 2HD2 LEU 54 -10.888 9.277 1.129 379 HD23 LEU 54 3HD2 LEU 54 -9.345 9.610 0.341 380 H ALA 55 H ALA 55 -7.399 4.153 1.449 381 HA ALA 55 HA ALA 55 -5.896 4.192 3.972 382 HB1 ALA 55 1HB ALA 55 -7.320 2.029 4.468 383 HB2 ALA 55 2HB ALA 55 -7.908 3.635 4.901 384 HB3 ALA 55 3HB ALA 55 -8.493 2.846 3.436 385 H ILE 56 H ILE 56 -4.335 2.641 4.167 386 HA ILE 56 HA ILE 56 -3.933 0.913 1.816 387 HB ILE 56 HB ILE 56 -1.932 2.119 3.721 388 HG12 ILE 56 1HG1 ILE 56 -2.069 2.303 0.711 389 HG13 ILE 56 2HG1 ILE 56 -2.864 3.462 1.771 390 HG21 ILE 56 1HG2 ILE 56 -1.507 0.029 1.592 391 HG22 ILE 56 2HG2 ILE 56 -0.213 0.934 2.377 392 HG23 ILE 56 3HG2 ILE 56 -1.235 -0.145 3.325 393 HD11 ILE 56 1HD1 ILE 56 -0.329 3.680 0.794 394 HD12 ILE 56 2HD1 ILE 56 -0.960 4.532 2.204 395 HD13 ILE 56 3HD1 ILE 56 -0.053 3.034 2.412 396 H ASP 57 H ASP 57 -3.758 -1.240 2.063 397 HA ASP 57 HA ASP 57 -4.163 -3.258 3.077 398 HB2 ASP 57 1HB ASP 57 -1.802 -2.023 4.402 399 HB3 ASP 57 2HB ASP 57 -2.460 -3.488 5.125 400 H GLY 58 H GLY 58 -5.940 -1.186 3.965 401 HA2 GLY 58 1HA GLY 58 -7.691 -1.166 5.487 402 HA3 GLY 58 2HA GLY 58 -6.894 -2.458 6.373 403 H PHE 59 H PHE 59 -5.582 0.714 5.516 404 HA PHE 59 HA PHE 59 -5.837 1.640 8.257 405 HB2 PHE 59 1HB PHE 59 -3.240 0.867 6.992 406 HB3 PHE 59 2HB PHE 59 -3.274 2.244 8.090 407 HD1 PHE 59 2HD PHE 59 -4.038 1.909 10.443 408 HD2 PHE 59 1HD PHE 59 -3.309 -1.342 7.794 409 HE1 PHE 59 2HE PHE 59 -3.900 0.380 12.365 410 HE2 PHE 59 1HE PHE 59 -3.171 -2.877 9.712 411 HZ PHE 59 HZ PHE 59 -3.465 -2.017 12.001 412 H GLY 60 H GLY 60 -6.816 3.528 7.867 413 HA2 GLY 60 1HA GLY 60 -6.694 5.069 5.574 414 HA3 GLY 60 2HA GLY 60 -7.098 5.696 7.164 415 H THR 61 H THR 61 -5.597 6.944 4.974 416 HA THR 61 HA THR 61 -2.862 7.067 5.942 417 HB THR 61 HB THR 61 -2.414 8.523 4.066 418 HG1 THR 61 1HG THR 61 -4.528 9.613 4.215 419 HG21 THR 61 1HG2 THR 61 -3.752 5.947 3.737 420 HG22 THR 61 2HG2 THR 61 -2.257 6.546 3.016 421 HG23 THR 61 3HG2 THR 61 -3.812 6.956 2.293 422 H GLU 62 H GLU 62 -4.799 7.934 7.812 423 HA GLU 62 HA GLU 62 -4.966 10.791 7.809 424 HB2 GLU 62 1HB GLU 62 -5.911 10.543 10.043 425 HB3 GLU 62 2HB GLU 62 -6.651 9.402 8.930 426 HG2 GLU 62 1HG GLU 62 -4.894 7.740 9.822 427 HG3 GLU 62 2HG GLU 62 -4.724 8.883 11.153 428 H SER 63 H SER 63 -3.007 8.407 9.560 429 HA SER 63 HA SER 63 -1.151 10.584 10.264 430 HB2 SER 63 1HB SER 63 -2.288 8.402 11.946 431 HB3 SER 63 2HB SER 63 -0.611 8.866 12.232 432 HG SER 63 HG SER 63 -2.742 10.730 12.131 433 H MET 64 H MET 64 -1.312 8.522 8.039 434 HA MET 64 HA MET 64 1.212 7.104 8.532 435 HB2 MET 64 1HB MET 64 -0.206 5.466 7.790 436 HB3 MET 64 2HB MET 64 -1.160 6.580 6.819 437 HG2 MET 64 1HG MET 64 0.706 6.679 5.192 438 HG3 MET 64 2HG MET 64 1.542 5.450 6.138 439 HE1 MET 64 1HE MET 64 -1.632 4.308 6.930 440 HE2 MET 64 2HE MET 64 -1.684 2.855 5.931 441 HE3 MET 64 3HE MET 64 -0.263 3.196 6.920 442 H THR 65 H THR 65 2.964 8.122 7.831 443 HA THR 65 HA THR 65 2.792 10.077 5.693 444 HB THR 65 HB THR 65 5.056 10.672 6.228 445 HG1 THR 65 1HG THR 65 6.133 8.819 6.620 446 HG21 THR 65 1HG2 THR 65 4.466 11.742 8.102 447 HG22 THR 65 2HG2 THR 65 4.317 10.233 9.004 448 HG23 THR 65 3HG2 THR 65 2.964 10.821 8.039 449 H HIS 66 H HIS 66 4.329 10.059 3.897 450 HA HIS 66 HA HIS 66 4.168 7.952 2.223 451 HB2 HIS 66 1HB HIS 66 5.332 10.320 1.983 452 HB3 HIS 66 2HB HIS 66 6.793 9.375 2.256 453 HD1 HIS 66 1HD HIS 66 3.727 8.991 0.018 454 HD2 HIS 66 2HD HIS 66 7.864 8.625 -0.096 455 HE1 HIS 66 1HE HIS 66 4.277 8.311 -2.340 456 HE2 HIS 66 2HE HIS 66 6.778 8.012 -2.363 457 H ALA 67 H ALA 67 6.916 8.499 4.427 458 HA ALA 67 HA ALA 67 8.332 6.173 3.833 459 HB1 ALA 67 1HB ALA 67 8.215 7.557 6.509 460 HB2 ALA 67 2HB ALA 67 9.506 6.517 5.907 461 HB3 ALA 67 3HB ALA 67 9.207 8.081 5.148 462 H ASP 68 H ASP 68 5.690 6.723 6.102 463 HA ASP 68 HA ASP 68 5.823 4.173 7.346 464 HB2 ASP 68 1HB ASP 68 4.573 6.419 8.022 465 HB3 ASP 68 2HB ASP 68 3.234 5.645 7.178 466 H ALA 69 H ALA 69 3.633 5.494 4.864 467 HA ALA 69 HA ALA 69 2.061 3.310 4.369 468 HB1 ALA 69 1HB ALA 69 2.941 4.639 1.913 469 HB2 ALA 69 2HB ALA 69 1.325 4.472 2.600 470 HB3 ALA 69 3HB ALA 69 2.403 5.740 3.182 471 H GLN 70 H GLN 70 5.340 3.904 3.204 472 HA GLN 70 HA GLN 70 5.545 1.821 1.366 473 HB2 GLN 70 1HB GLN 70 7.699 2.943 3.166 474 HB3 GLN 70 2HB GLN 70 7.978 1.968 1.729 475 HG2 GLN 70 1HG GLN 70 6.403 4.485 1.500 476 HG3 GLN 70 2HG GLN 70 8.159 4.567 1.633 477 HE21 GLN 70 1HE2 GLN 70 5.584 4.264 -0.454 478 HE22 GLN 70 2HE2 GLN 70 6.435 3.718 -1.854 479 H ASP 71 H ASP 71 6.028 1.835 4.864 480 HA ASP 71 HA ASP 71 6.969 -0.839 5.039 481 HB2 ASP 71 1HB ASP 71 7.034 1.164 6.768 482 HB3 ASP 71 2HB ASP 71 5.526 0.441 7.320 483 H ARG 72 H ARG 72 3.930 0.431 4.363 484 HA ARG 72 HA ARG 72 2.479 -1.848 5.476 485 HB2 ARG 72 1HB ARG 72 1.652 0.772 4.266 486 HB3 ARG 72 2HB ARG 72 0.498 -0.547 4.407 487 HG2 ARG 72 1HG ARG 72 2.050 0.248 6.816 488 HG3 ARG 72 2HG ARG 72 0.721 1.277 6.278 489 HD2 ARG 72 1HD ARG 72 -0.774 -0.687 6.327 490 HD3 ARG 72 2HD ARG 72 0.560 -1.660 6.946 491 HE ARG 72 HE ARG 72 -1.068 0.176 8.423 492 HH11 ARG 72 2HH1 ARG 72 2.069 -1.323 8.244 493 HH12 ARG 72 1HH1 ARG 72 2.392 -1.152 9.937 494 HH21 ARG 72 2HH2 ARG 72 -0.655 0.407 10.655 495 HH22 ARG 72 1HH2 ARG 72 0.841 -0.169 11.308 496 H ILE 73 H ILE 73 3.578 -0.538 2.438 497 HA ILE 73 HA ILE 73 2.007 -2.362 0.841 498 HB ILE 73 HB ILE 73 4.235 -0.471 0.082 499 HG12 ILE 73 1HG1 ILE 73 1.390 -0.182 -0.780 500 HG13 ILE 73 2HG1 ILE 73 1.817 0.273 0.866 501 HG21 ILE 73 1HG2 ILE 73 4.005 -2.499 -1.393 502 HG22 ILE 73 2HG2 ILE 73 2.386 -1.926 -1.792 503 HG23 ILE 73 3HG2 ILE 73 3.794 -0.945 -2.200 504 HD11 ILE 73 1HD1 ILE 73 1.835 2.141 -0.776 505 HD12 ILE 73 2HD1 ILE 73 3.357 1.911 0.085 506 HD13 ILE 73 3HD1 ILE 73 3.191 1.352 -1.580 507 H LYS 74 H LYS 74 5.394 -2.018 1.814 508 HA LYS 74 HA LYS 74 6.307 -4.285 0.347 509 HB2 LYS 74 1HB LYS 74 8.397 -3.956 1.433 510 HB3 LYS 74 2HB LYS 74 7.732 -2.355 1.136 511 HG2 LYS 74 1HG LYS 74 6.959 -2.268 3.471 512 HG3 LYS 74 2HG LYS 74 7.702 -3.844 3.754 513 HD2 LYS 74 1HD LYS 74 9.308 -1.557 2.667 514 HD3 LYS 74 2HD LYS 74 9.015 -1.715 4.401 515 HE2 LYS 74 1HE LYS 74 10.091 -4.004 2.790 516 HE3 LYS 74 2HE LYS 74 11.159 -2.746 3.410 517 HZ1 LYS 74 1HZ LYS 74 9.526 -4.684 4.923 518 HZ2 LYS 74 2HZ LYS 74 10.060 -3.250 5.644 519 HZ3 LYS 74 3HZ LYS 74 11.183 -4.367 5.051 520 H ALA 75 H ALA 75 5.160 -3.760 3.630 521 HA ALA 75 HA ALA 75 5.677 -6.547 4.331 522 HB1 ALA 75 1HB ALA 75 6.199 -4.684 5.918 523 HB2 ALA 75 2HB ALA 75 4.463 -4.406 6.066 524 HB3 ALA 75 3HB ALA 75 5.156 -5.945 6.577 525 H ALA 76 H ALA 76 3.572 -5.558 2.380 526 HA ALA 76 HA ALA 76 1.006 -5.826 3.427 527 HB1 ALA 76 1HB ALA 76 0.310 -6.378 1.133 528 HB2 ALA 76 2HB ALA 76 1.404 -4.994 1.185 529 HB3 ALA 76 3HB ALA 76 2.004 -6.574 0.681 530 H SER 77 H SER 77 -0.407 -7.779 2.366 531 HA SER 77 HA SER 77 0.844 -10.272 3.317 532 HB2 SER 77 1HB SER 77 -2.050 -9.443 3.639 533 HB3 SER 77 2HB SER 77 -1.349 -10.969 4.176 534 HG SER 77 HG SER 77 -0.469 -9.992 5.836 535 H TYR 78 H TYR 78 -0.672 -12.204 2.574 536 HA TYR 78 HA TYR 78 -0.292 -12.728 -0.037 537 HB2 TYR 78 1HB TYR 78 -2.411 -14.188 0.119 538 HB3 TYR 78 2HB TYR 78 -1.104 -14.509 1.253 539 HD1 TYR 78 1HD TYR 78 -1.308 -13.735 3.615 540 HD2 TYR 78 2HD TYR 78 -4.553 -13.487 0.875 541 HE1 TYR 78 1HE TYR 78 -2.869 -13.467 5.497 542 HE2 TYR 78 2HE TYR 78 -6.123 -13.218 2.749 543 HH TYR 78 HH TYR 78 -5.044 -12.674 5.987 544 H GLN 79 H GLN 79 -2.769 -10.670 1.281 545 HA GLN 79 HA GLN 79 -3.526 -9.905 -1.444 546 HB2 GLN 79 1HB GLN 79 -5.911 -9.762 -0.725 547 HB3 GLN 79 2HB GLN 79 -5.282 -11.403 -0.779 548 HG2 GLN 79 1HG GLN 79 -6.355 -11.494 1.212 549 HG3 GLN 79 2HG GLN 79 -4.787 -10.912 1.769 550 HE21 GLN 79 1HE2 GLN 79 -7.831 -9.610 0.487 551 HE22 GLN 79 2HE2 GLN 79 -7.933 -8.291 1.598 552 H LEU 80 H LEU 80 -3.300 -7.791 -1.698 553 HA LEU 80 HA LEU 80 -3.053 -6.078 0.639 554 HB2 LEU 80 1HB LEU 80 -1.373 -5.841 -1.059 555 HB3 LEU 80 2HB LEU 80 -2.601 -5.591 -2.299 556 HG LEU 80 HG LEU 80 -3.222 -3.468 -1.062 557 HD11 LEU 80 1HD1 LEU 80 -2.285 -3.083 0.909 558 HD12 LEU 80 2HD1 LEU 80 -0.723 -2.936 0.106 559 HD13 LEU 80 3HD1 LEU 80 -1.247 -4.498 0.734 560 HD21 LEU 80 1HD2 LEU 80 -2.127 -3.018 -3.015 561 HD22 LEU 80 2HD2 LEU 80 -0.707 -3.964 -2.569 562 HD23 LEU 80 3HD2 LEU 80 -0.962 -2.368 -1.861 563 H CYS 81 H CYS 81 -4.382 -4.373 1.130 564 HA CYS 81 HA CYS 81 -6.860 -4.165 -0.451 565 HB2 CYS 81 1HB CYS 81 -6.402 -4.197 2.510 566 HB3 CYS 81 2HB CYS 81 -7.781 -3.320 1.857 567 HG CYS 81 HG CYS 81 -9.295 -5.382 1.893 568 H LEU 82 H LEU 82 -7.210 -2.254 -1.357 569 HA LEU 82 HA LEU 82 -6.112 0.153 -0.082 570 HB2 LEU 82 1HB LEU 82 -5.999 -0.430 -3.037 571 HB3 LEU 82 2HB LEU 82 -5.423 1.031 -2.237 572 HG LEU 82 HG LEU 82 -4.264 -1.707 -1.743 573 HD11 LEU 82 1HD1 LEU 82 -2.352 -0.431 -3.121 574 HD12 LEU 82 2HD1 LEU 82 -3.781 0.251 -3.897 575 HD13 LEU 82 3HD1 LEU 82 -3.541 -1.496 -3.871 576 HD21 LEU 82 1HD2 LEU 82 -4.048 0.293 -0.090 577 HD22 LEU 82 2HD2 LEU 82 -2.900 0.910 -1.278 578 HD23 LEU 82 3HD2 LEU 82 -2.622 -0.655 -0.512 579 H LYS 83 H LYS 83 -7.751 1.447 0.385 580 HA LYS 83 HA LYS 83 -10.219 1.295 -1.163 581 HB2 LYS 83 1HB LYS 83 -10.474 1.230 1.236 582 HB3 LYS 83 2HB LYS 83 -9.529 2.702 1.421 583 HG2 LYS 83 1HG LYS 83 -11.249 4.016 0.414 584 HG3 LYS 83 2HG LYS 83 -12.158 2.572 -0.036 585 HD2 LYS 83 1HD LYS 83 -12.899 2.206 2.102 586 HD3 LYS 83 2HD LYS 83 -11.500 2.993 2.836 587 HE2 LYS 83 1HE LYS 83 -12.351 5.154 2.343 588 HE3 LYS 83 2HE LYS 83 -13.606 4.493 1.296 589 HZ1 LYS 83 1HZ LYS 83 -14.192 3.269 3.573 590 HZ2 LYS 83 2HZ LYS 83 -14.846 4.767 3.138 591 HZ3 LYS 83 3HZ LYS 83 -13.526 4.696 4.194 592 H ILE 84 H ILE 84 -10.798 2.759 -2.632 593 HA ILE 84 HA ILE 84 -9.276 5.280 -2.751 594 HB ILE 84 HB ILE 84 -9.819 5.298 -5.190 595 HG12 ILE 84 1HG1 ILE 84 -10.481 2.378 -4.883 596 HG13 ILE 84 2HG1 ILE 84 -11.739 3.608 -4.834 597 HG21 ILE 84 1HG2 ILE 84 -8.356 2.820 -5.095 598 HG22 ILE 84 2HG2 ILE 84 -7.792 4.442 -5.492 599 HG23 ILE 84 3HG2 ILE 84 -7.831 3.909 -3.811 600 HD11 ILE 84 1HD1 ILE 84 -11.842 3.321 -7.037 601 HD12 ILE 84 2HD1 ILE 84 -10.357 4.271 -7.096 602 HD13 ILE 84 3HD1 ILE 84 -10.278 2.509 -7.096 603 H ASP 85 H ASP 85 -10.401 7.167 -3.471 604 HA ASP 85 HA ASP 85 -13.075 7.321 -2.430 605 HB2 ASP 85 1HB ASP 85 -11.486 9.158 -2.086 606 HB3 ASP 85 2HB ASP 85 -11.390 9.411 -3.826 607 H ARG 86 H ARG 86 -11.591 7.092 -5.569 608 HA ARG 86 HA ARG 86 -12.465 6.744 -7.643 609 HB2 ARG 86 1HB ARG 86 -14.094 5.326 -6.145 610 HB3 ARG 86 2HB ARG 86 -15.242 6.598 -6.539 611 HG2 ARG 86 1HG ARG 86 -15.059 6.136 -8.876 612 HG3 ARG 86 2HG ARG 86 -13.727 5.012 -8.598 613 HD2 ARG 86 1HD ARG 86 -16.510 4.646 -7.500 614 HD3 ARG 86 2HD ARG 86 -15.938 3.922 -9.003 615 HE ARG 86 HE ARG 86 -14.228 3.304 -6.808 616 HH11 ARG 86 2HH1 ARG 86 -17.241 2.456 -8.332 617 HH12 ARG 86 1HH1 ARG 86 -17.237 0.831 -7.734 618 HH21 ARG 86 2HH2 ARG 86 -14.211 1.166 -6.014 619 HH22 ARG 86 1HH2 ARG 86 -15.513 0.098 -6.414 620 H ALA 87 H ALA 87 -11.981 9.318 -7.005 621 HA ALA 87 HA ALA 87 -14.246 11.022 -7.382 622 HB1 ALA 87 1HB ALA 87 -11.347 11.362 -7.018 623 HB2 ALA 87 2HB ALA 87 -12.148 12.625 -7.953 624 HB3 ALA 87 3HB ALA 87 -12.695 12.258 -6.318 625 H GLU 88 H GLU 88 -15.310 11.129 -9.246 626 HA GLU 88 HA GLU 88 -14.343 10.265 -11.728 627 HB2 GLU 88 1HB GLU 88 -16.324 11.335 -12.685 628 HB3 GLU 88 2HB GLU 88 -16.732 10.448 -11.223 629 HG2 GLU 88 1HG GLU 88 -16.422 12.746 -10.056 630 HG3 GLU 88 2HG GLU 88 -16.635 13.393 -11.682 631 H THR 89 H THR 89 -14.515 13.500 -10.307 632 HA THR 89 HA THR 89 -12.813 14.474 -12.509 633 HB THR 89 HB THR 89 -14.787 16.077 -10.871 634 HG1 THR 89 1HG THR 89 -14.869 15.392 -13.636 635 HG21 THR 89 1HG2 THR 89 -14.109 17.541 -13.104 636 HG22 THR 89 2HG2 THR 89 -12.572 16.826 -12.615 637 HG23 THR 89 3HG2 THR 89 -13.493 17.805 -11.473 638 H ARG 90 H ARG 90 -13.196 14.090 -9.116 639 HA ARG 90 HA ARG 90 -11.820 14.493 -7.350 640 HB2 ARG 90 1HB ARG 90 -9.956 14.634 -9.672 641 HB3 ARG 90 2HB ARG 90 -9.377 15.206 -8.113 642 HG2 ARG 90 1HG ARG 90 -10.063 12.990 -7.156 643 HG3 ARG 90 2HG ARG 90 -10.356 12.452 -8.811 644 HD2 ARG 90 1HD ARG 90 -8.140 11.777 -8.046 645 HD3 ARG 90 2HD ARG 90 -8.030 12.923 -9.382 646 HE ARG 90 HE ARG 90 -7.225 13.362 -6.630 647 HH11 ARG 90 2HH1 ARG 90 -7.899 14.753 -9.750 648 HH12 ARG 90 1HH1 ARG 90 -6.989 16.196 -9.448 649 HH21 ARG 90 2HH2 ARG 90 -6.023 15.257 -6.221 650 HH22 ARG 90 1HH2 ARG 90 -5.922 16.481 -7.441 651 H LEU 91 H LEU 91 -13.505 16.556 -8.122 652 HA LEU 91 HA LEU 91 -11.864 18.960 -7.673 653 HB2 LEU 91 1HB LEU 91 -13.094 19.007 -9.771 654 HB3 LEU 91 2HB LEU 91 -14.601 18.702 -8.910 655 HG LEU 91 HG LEU 91 -13.986 20.944 -7.685 656 HD11 LEU 91 1HD1 LEU 91 -11.762 20.939 -9.008 657 HD12 LEU 91 2HD1 LEU 91 -12.655 22.449 -8.832 658 HD13 LEU 91 3HD1 LEU 91 -12.747 21.540 -10.341 659 HD21 LEU 91 1HD2 LEU 91 -15.043 20.850 -10.509 660 HD22 LEU 91 2HD2 LEU 91 -15.290 22.160 -9.354 661 HD23 LEU 91 3HD2 LEU 91 -15.980 20.566 -9.042 662 H TRP 92 H TRP 92 -15.291 18.144 -7.150 663 HA TRP 92 HA TRP 92 -14.958 18.886 -4.323 664 HB2 TRP 92 1HB TRP 92 -16.095 20.631 -5.921 665 HB3 TRP 92 2HB TRP 92 -17.490 19.566 -5.772 666 HD1 TRP 92 HD TRP 92 -17.198 18.850 -2.676 667 HE1 TRP 92 1HE TRP 92 -17.725 20.652 -0.915 668 HE3 TRP 92 3HE TRP 92 -16.639 23.017 -5.585 669 HZ2 TRP 92 2HZ TRP 92 -17.884 23.467 -0.777 670 HZ3 TRP 92 3HZ TRP 92 -16.997 25.226 -4.562 671 HH2 TRP 92 HH TRP 92 -17.607 25.444 -2.208 672 H SER 93 H SER 93 -15.318 17.091 -3.197 673 HA SER 93 HA SER 93 -17.818 15.791 -3.191 674 HB2 SER 93 1HB SER 93 -17.111 14.772 -5.271 675 HB3 SER 93 2HB SER 93 -15.568 14.299 -4.560 676 HG SER 93 HG SER 93 -16.690 12.505 -4.279 677 HA PRO 94 HA PRO 94 -16.228 14.750 0.780 678 HB2 PRO 94 1HB PRO 94 -18.066 12.884 1.494 679 HB3 PRO 94 2HB PRO 94 -18.421 14.615 1.452 680 HG2 PRO 94 1HG PRO 94 -19.049 12.503 -0.574 681 HG3 PRO 94 2HG PRO 94 -20.070 13.828 0.014 682 HD2 PRO 94 1HD PRO 94 -18.751 13.944 -2.348 683 HD3 PRO 94 2HD PRO 94 -19.059 15.383 -1.354 684 H GLN 95 H GLN 95 -16.289 12.366 2.059 685 HA GLN 95 HA GLN 95 -14.267 10.870 0.630 686 HB2 GLN 95 1HB GLN 95 -14.079 9.581 2.736 687 HB3 GLN 95 2HB GLN 95 -13.902 11.314 2.979 688 HG2 GLN 95 1HG GLN 95 -16.586 10.073 3.322 689 HG3 GLN 95 2HG GLN 95 -15.373 9.870 4.585 690 HE21 GLN 95 1HE2 GLN 95 -14.198 12.047 5.058 691 HE22 GLN 95 2HE2 GLN 95 -15.251 13.392 5.321 692 H VAL 96 H VAL 96 -17.251 10.862 -0.054 693 HA VAL 96 HA VAL 96 -17.876 8.029 0.283 694 HB VAL 96 HB VAL 96 -19.528 10.232 -0.962 695 HG11 VAL 96 1HG1 VAL 96 -19.842 7.670 -1.541 696 HG12 VAL 96 2HG1 VAL 96 -20.695 7.676 0.004 697 HG13 VAL 96 3HG1 VAL 96 -21.222 8.741 -1.300 698 HG21 VAL 96 1HG2 VAL 96 -19.248 9.214 1.811 699 HG22 VAL 96 2HG2 VAL 96 -19.592 10.844 1.232 700 HG23 VAL 96 3HG2 VAL 96 -20.868 9.627 1.251 701 H SER 97 H SER 97 -17.911 6.564 -1.345 702 HA SER 97 HA SER 97 -16.735 7.408 -3.886 703 HB2 SER 97 1HB SER 97 -15.567 5.574 -2.915 704 HB3 SER 97 2HB SER 97 -17.065 4.709 -2.573 705 HG SER 97 HG SER 97 -15.553 4.581 -4.753 706 H SER 98 H SER 98 -17.872 7.528 -5.708 707 HA SER 98 HA SER 98 -20.672 7.227 -5.737 708 HB2 SER 98 1HB SER 98 -20.546 7.753 -8.091 709 HB3 SER 98 2HB SER 98 -19.363 8.746 -7.239 710 HG SER 98 HG SER 98 -18.346 7.883 -9.009 711 H GLY 99 H GLY 99 -22.001 5.714 -6.778 712 HA2 GLY 99 1HA GLY 99 -21.082 3.013 -6.606 713 HA3 GLY 99 2HA GLY 99 -22.668 3.540 -7.150 714 HA PRO 100 HA PRO 100 -20.489 1.758 -10.807 715 HB2 PRO 100 1HB PRO 100 -22.670 0.440 -11.742 716 HB3 PRO 100 2HB PRO 100 -21.580 -0.245 -10.531 717 HG2 PRO 100 1HG PRO 100 -24.228 1.100 -10.152 718 HG3 PRO 100 2HG PRO 100 -23.596 -0.364 -9.377 719 HD2 PRO 100 1HD PRO 100 -23.596 2.050 -8.150 720 HD3 PRO 100 2HD PRO 100 -22.339 0.831 -7.859 721 H SER 101 H SER 101 -20.588 2.469 -12.912 722 HA SER 101 HA SER 101 -21.911 4.901 -13.427 723 HB2 SER 101 1HB SER 101 -19.840 4.340 -14.569 724 HB3 SER 101 2HB SER 101 -20.603 2.948 -15.337 725 HG SER 101 HG SER 101 -20.447 4.928 -16.633 726 H SER 102 H SER 102 -22.440 1.691 -14.895 727 HA SER 102 HA SER 102 -24.817 2.455 -16.235 728 HB2 SER 102 1HB SER 102 -23.620 -0.229 -15.549 729 HB3 SER 102 2HB SER 102 -25.142 -0.074 -16.426 730 HG SER 102 HG SER 102 -22.552 0.421 -17.261 731 H GLY 103 H GLY 103 -24.363 0.309 -13.415 732 HA2 GLY 103 1HA GLY 103 -25.643 0.305 -11.449 733 HA3 GLY 103 2HA GLY 103 -26.785 1.398 -12.216 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -22.669 0.928 8.567 2 HA2 GLY 1 1HA GLY 1 -21.054 2.535 7.969 3 HA3 GLY 1 2HA GLY 1 -21.274 2.096 6.281 4 H SER 2 H SER 2 -21.366 4.367 5.822 5 HA SER 2 HA SER 2 -23.949 5.588 6.548 6 HB2 SER 2 1HB SER 2 -21.724 6.683 7.331 7 HB3 SER 2 2HB SER 2 -21.570 7.191 5.649 8 HG SER 2 HG SER 2 -23.501 7.915 7.560 9 H SER 3 H SER 3 -24.619 7.300 4.875 10 HA SER 3 HA SER 3 -24.779 5.965 2.325 11 HB2 SER 3 1HB SER 3 -26.084 8.354 3.569 12 HB3 SER 3 2HB SER 3 -26.128 8.177 1.815 13 HG SER 3 HG SER 3 -27.215 6.491 3.796 14 H GLY 4 H GLY 4 -23.364 6.231 0.739 15 HA2 GLY 4 1HA GLY 4 -22.541 8.686 -0.296 16 HA3 GLY 4 2HA GLY 4 -21.286 8.148 0.811 17 H SER 5 H SER 5 -19.680 7.661 -0.593 18 HA SER 5 HA SER 5 -20.178 5.403 -2.399 19 HB2 SER 5 1HB SER 5 -19.047 8.082 -3.120 20 HB3 SER 5 2HB SER 5 -18.467 6.646 -3.964 21 HG SER 5 HG SER 5 -20.826 7.971 -4.223 22 H SER 6 H SER 6 -18.508 3.960 -2.589 23 HA SER 6 HA SER 6 -15.953 4.587 -1.317 24 HB2 SER 6 1HB SER 6 -17.762 2.306 -0.512 25 HB3 SER 6 2HB SER 6 -16.041 2.346 -0.129 26 HG SER 6 HG SER 6 -17.529 4.605 0.518 27 H GLY 7 H GLY 7 -14.363 2.738 -1.662 28 HA2 GLY 7 1HA GLY 7 -14.926 1.135 -4.038 29 HA3 GLY 7 2HA GLY 7 -13.638 2.324 -4.171 30 H ASN 8 H ASN 8 -14.134 -0.834 -3.759 31 HA ASN 8 HA ASN 8 -11.971 -1.213 -1.811 32 HB2 ASN 8 1HB ASN 8 -13.569 -2.676 -1.093 33 HB3 ASN 8 2HB ASN 8 -14.283 -2.848 -2.693 34 HD21 ASN 8 1HD2 ASN 8 -13.092 -4.153 -4.255 35 HD22 ASN 8 2HD2 ASN 8 -12.184 -5.508 -3.683 36 H VAL 9 H VAL 9 -10.106 -2.318 -2.316 37 HA VAL 9 HA VAL 9 -9.756 -3.278 -5.059 38 HB VAL 9 HB VAL 9 -7.900 -1.290 -3.742 39 HG11 VAL 9 1HG1 VAL 9 -7.613 -2.299 -6.543 40 HG12 VAL 9 2HG1 VAL 9 -6.406 -1.556 -5.491 41 HG13 VAL 9 3HG1 VAL 9 -6.935 -3.213 -5.195 42 HG21 VAL 9 1HG2 VAL 9 -9.336 -0.917 -6.346 43 HG22 VAL 9 2HG2 VAL 9 -10.110 -0.509 -4.815 44 HG23 VAL 9 3HG2 VAL 9 -8.615 0.298 -5.290 45 H VAL 10 H VAL 10 -9.324 -5.362 -4.647 46 HA VAL 10 HA VAL 10 -7.341 -5.995 -2.565 47 HB VAL 10 HB VAL 10 -9.116 -8.054 -3.829 48 HG11 VAL 10 1HG1 VAL 10 -7.540 -9.095 -2.502 49 HG12 VAL 10 2HG1 VAL 10 -7.516 -7.785 -1.320 50 HG13 VAL 10 3HG1 VAL 10 -8.884 -8.897 -1.377 51 HG21 VAL 10 1HG2 VAL 10 -9.893 -6.448 -1.403 52 HG22 VAL 10 2HG2 VAL 10 -10.508 -6.120 -3.023 53 HG23 VAL 10 3HG2 VAL 10 -10.850 -7.666 -2.247 54 H LEU 11 H LEU 11 -5.390 -6.018 -3.527 55 HA LEU 11 HA LEU 11 -5.083 -7.230 -6.163 56 HB2 LEU 11 1HB LEU 11 -2.938 -5.969 -4.476 57 HB3 LEU 11 2HB LEU 11 -2.914 -6.270 -6.213 58 HG LEU 11 HG LEU 11 -4.683 -4.261 -4.818 59 HD11 LEU 11 1HD1 LEU 11 -3.223 -2.578 -5.514 60 HD12 LEU 11 2HD1 LEU 11 -2.367 -3.649 -6.622 61 HD13 LEU 11 3HD1 LEU 11 -2.159 -3.834 -4.881 62 HD21 LEU 11 1HD2 LEU 11 -4.229 -4.897 -7.729 63 HD22 LEU 11 2HD2 LEU 11 -5.065 -3.459 -7.144 64 HD23 LEU 11 3HD2 LEU 11 -5.732 -5.059 -6.820 65 HA PRO 12 HA PRO 12 -3.721 -11.088 -4.508 66 HB2 PRO 12 1HB PRO 12 -2.516 -12.053 -6.741 67 HB3 PRO 12 2HB PRO 12 -4.272 -11.977 -6.554 68 HG2 PRO 12 1HG PRO 12 -2.440 -10.108 -8.007 69 HG3 PRO 12 2HG PRO 12 -4.019 -10.741 -8.507 70 HD2 PRO 12 1HD PRO 12 -3.705 -8.258 -7.472 71 HD3 PRO 12 2HD PRO 12 -5.177 -9.218 -7.220 72 H GLY 13 H GLY 13 -2.074 -11.207 -3.115 73 HA2 GLY 13 1HA GLY 13 0.569 -10.222 -3.975 74 HA3 GLY 13 2HA GLY 13 0.030 -10.329 -2.305 75 HA PRO 14 HA PRO 14 1.667 -10.567 -1.165 76 HB2 PRO 14 1HB PRO 14 4.331 -11.020 -0.909 77 HB3 PRO 14 2HB PRO 14 3.117 -11.851 0.071 78 HG2 PRO 14 1HG PRO 14 4.558 -12.808 -2.372 79 HG3 PRO 14 2HG PRO 14 4.199 -13.681 -0.870 80 HD2 PRO 14 1HD PRO 14 2.738 -14.002 -3.127 81 HD3 PRO 14 2HD PRO 14 2.030 -14.134 -1.504 82 H ALA 15 H ALA 15 3.780 -9.029 -1.339 83 HA ALA 15 HA ALA 15 3.518 -7.700 -3.821 84 HB1 ALA 15 1HB ALA 15 5.848 -6.733 -2.660 85 HB2 ALA 15 2HB ALA 15 4.221 -6.081 -2.467 86 HB3 ALA 15 3HB ALA 15 4.851 -7.240 -1.297 87 HA PRO 16 HA PRO 16 5.336 -5.992 -4.483 88 HB2 PRO 16 1HB PRO 16 5.687 -5.498 -7.129 89 HB3 PRO 16 2HB PRO 16 7.022 -5.519 -5.970 90 HG2 PRO 16 1HG PRO 16 6.125 -7.655 -7.867 91 HG3 PRO 16 2HG PRO 16 7.771 -7.120 -7.482 92 HD2 PRO 16 1HD PRO 16 6.677 -9.352 -6.409 93 HD3 PRO 16 2HD PRO 16 7.850 -8.347 -5.533 94 H TRP 17 H TRP 17 3.767 -4.690 -5.891 95 HA TRP 17 HA TRP 17 1.458 -6.406 -6.497 96 HB2 TRP 17 1HB TRP 17 1.478 -3.441 -5.898 97 HB3 TRP 17 2HB TRP 17 0.061 -4.477 -6.048 98 HD1 TRP 17 HD TRP 17 2.354 -3.090 -3.514 99 HE1 TRP 17 1HE TRP 17 1.984 -4.227 -1.235 100 HE3 TRP 17 3HE TRP 17 -0.505 -7.045 -5.037 101 HZ2 TRP 17 2HZ TRP 17 0.656 -6.501 -0.218 102 HZ3 TRP 17 3HZ TRP 17 -1.284 -8.656 -3.348 103 HH2 TRP 17 HH TRP 17 -0.714 -8.388 -0.989 104 H GLY 18 H GLY 18 2.938 -3.351 -7.612 105 HA2 GLY 18 1HA GLY 18 3.542 -3.520 -10.092 106 HA3 GLY 18 2HA GLY 18 1.841 -3.916 -10.290 107 H PHE 19 H PHE 19 1.499 -1.899 -7.917 108 HA PHE 19 HA PHE 19 1.292 0.440 -9.681 109 HB2 PHE 19 1HB PHE 19 -0.475 1.224 -8.308 110 HB3 PHE 19 2HB PHE 19 -0.765 -0.501 -8.511 111 HD1 PHE 19 1HD PHE 19 0.936 1.863 -6.184 112 HD2 PHE 19 2HD PHE 19 -1.247 -1.760 -6.650 113 HE1 PHE 19 1HE PHE 19 0.868 1.594 -3.740 114 HE2 PHE 19 2HE PHE 19 -1.320 -2.035 -4.207 115 HZ PHE 19 HZ PHE 19 -0.262 -0.356 -2.748 116 H ARG 20 H ARG 20 1.936 2.504 -8.953 117 HA ARG 20 HA ARG 20 4.070 2.403 -6.941 118 HB2 ARG 20 1HB ARG 20 3.619 4.719 -8.791 119 HB3 ARG 20 2HB ARG 20 5.113 4.172 -8.043 120 HG2 ARG 20 1HG ARG 20 3.656 2.646 -10.186 121 HG3 ARG 20 2HG ARG 20 4.972 3.780 -10.497 122 HD2 ARG 20 1HD ARG 20 5.148 1.312 -8.771 123 HD3 ARG 20 2HD ARG 20 5.752 1.452 -10.421 124 HE ARG 20 HE ARG 20 6.809 3.399 -8.567 125 HH11 ARG 20 2HH1 ARG 20 7.206 0.263 -10.027 126 HH12 ARG 20 1HH1 ARG 20 8.911 0.195 -9.726 127 HH21 ARG 20 2HH2 ARG 20 9.052 3.321 -8.165 128 HH22 ARG 20 1HH2 ARG 20 9.960 1.934 -8.666 129 H LEU 21 H LEU 21 4.386 4.670 -5.859 130 HA LEU 21 HA LEU 21 1.769 5.711 -5.013 131 HB2 LEU 21 1HB LEU 21 3.002 5.998 -2.728 132 HB3 LEU 21 2HB LEU 21 2.242 4.467 -3.156 133 HG LEU 21 HG LEU 21 4.400 3.521 -3.730 134 HD11 LEU 21 1HD1 LEU 21 6.467 4.810 -3.250 135 HD12 LEU 21 2HD1 LEU 21 5.473 6.250 -3.038 136 HD13 LEU 21 3HD1 LEU 21 5.533 5.444 -4.605 137 HD21 LEU 21 1HD2 LEU 21 4.809 2.994 -1.600 138 HD22 LEU 21 2HD2 LEU 21 3.510 4.116 -1.195 139 HD23 LEU 21 3HD2 LEU 21 5.188 4.662 -1.170 140 H SER 22 H SER 22 1.774 7.881 -4.231 141 HA SER 22 HA SER 22 4.195 9.451 -4.530 142 HB2 SER 22 1HB SER 22 2.842 9.207 -6.798 143 HB3 SER 22 2HB SER 22 1.842 10.463 -6.069 144 HG SER 22 HG SER 22 3.354 11.657 -6.989 145 H GLY 23 H GLY 23 4.038 11.556 -3.618 146 HA2 GLY 23 1HA GLY 23 3.173 13.203 -2.245 147 HA3 GLY 23 2HA GLY 23 1.589 12.464 -2.425 148 H GLY 24 H GLY 24 1.418 13.030 -0.115 149 HA2 GLY 24 1HA GLY 24 1.375 10.942 1.586 150 HA3 GLY 24 2HA GLY 24 3.034 11.500 1.740 151 H ILE 25 H ILE 25 0.853 11.455 3.714 152 HA ILE 25 HA ILE 25 -0.215 14.003 4.161 153 HB ILE 25 HB ILE 25 -0.609 13.313 6.444 154 HG12 ILE 25 1HG1 ILE 25 0.855 10.740 6.057 155 HG13 ILE 25 2HG1 ILE 25 1.787 12.175 6.466 156 HG21 ILE 25 1HG2 ILE 25 -1.549 12.024 4.207 157 HG22 ILE 25 2HG2 ILE 25 -1.055 10.694 5.253 158 HG23 ILE 25 3HG2 ILE 25 -2.216 11.887 5.833 159 HD11 ILE 25 1HD1 ILE 25 0.503 10.466 8.221 160 HD12 ILE 25 2HD1 ILE 25 1.179 12.053 8.592 161 HD13 ILE 25 3HD1 ILE 25 -0.526 11.897 8.169 162 H ASP 26 H ASP 26 2.986 13.022 4.236 163 HA ASP 26 HA ASP 26 3.806 14.972 6.246 164 HB2 ASP 26 1HB ASP 26 4.855 12.695 6.139 165 HB3 ASP 26 2HB ASP 26 5.548 13.145 4.583 166 H PHE 27 H PHE 27 3.827 14.467 2.786 167 HA PHE 27 HA PHE 27 5.425 16.867 2.347 168 HB2 PHE 27 1HB PHE 27 4.304 14.799 0.450 169 HB3 PHE 27 2HB PHE 27 5.191 16.226 -0.078 170 HD1 PHE 27 1HD PHE 27 5.486 13.200 2.053 171 HD2 PHE 27 2HD PHE 27 7.510 16.187 -0.204 172 HE1 PHE 27 1HE PHE 27 7.604 11.982 2.346 173 HE2 PHE 27 2HE PHE 27 9.631 14.974 0.085 174 HZ PHE 27 HZ PHE 27 9.680 12.869 1.361 175 H ASN 28 H ASN 28 2.429 16.520 3.249 176 HA ASN 28 HA ASN 28 0.513 17.731 3.069 177 HB2 ASN 28 1HB ASN 28 2.282 19.646 1.530 178 HB3 ASN 28 2HB ASN 28 0.684 20.021 2.167 179 HD21 ASN 28 1HD2 ASN 28 3.951 19.085 3.069 180 HD22 ASN 28 2HD2 ASN 28 3.912 19.784 4.649 181 H GLN 29 H GLN 29 0.962 15.676 1.175 182 HA GLN 29 HA GLN 29 -0.781 16.630 -0.969 183 HB2 GLN 29 1HB GLN 29 1.921 15.390 -1.314 184 HB3 GLN 29 2HB GLN 29 0.668 15.070 -2.506 185 HG2 GLN 29 1HG GLN 29 0.403 17.577 -2.703 186 HG3 GLN 29 2HG GLN 29 1.889 17.708 -1.764 187 HE21 GLN 29 1HE2 GLN 29 0.609 15.996 -4.596 188 HE22 GLN 29 2HE2 GLN 29 2.038 16.156 -5.553 189 HA PRO 30 HA PRO 30 -2.951 12.886 -0.215 190 HB2 PRO 30 1HB PRO 30 -4.111 12.499 -2.638 191 HB3 PRO 30 2HB PRO 30 -4.634 13.758 -1.513 192 HG2 PRO 30 1HG PRO 30 -2.851 13.979 -3.907 193 HG3 PRO 30 2HG PRO 30 -4.157 15.057 -3.382 194 HD2 PRO 30 1HD PRO 30 -1.544 15.610 -2.936 195 HD3 PRO 30 2HD PRO 30 -2.831 16.109 -1.818 196 H LEU 31 H LEU 31 -2.696 10.701 -0.394 197 HA LEU 31 HA LEU 31 -0.347 9.743 -1.722 198 HB2 LEU 31 1HB LEU 31 -2.502 8.454 -0.082 199 HB3 LEU 31 2HB LEU 31 -1.271 7.490 -0.896 200 HG LEU 31 HG LEU 31 -0.719 9.616 1.173 201 HD11 LEU 31 1HD1 LEU 31 -0.279 7.832 2.706 202 HD12 LEU 31 2HD1 LEU 31 -0.568 6.621 1.457 203 HD13 LEU 31 3HD1 LEU 31 -1.901 7.611 2.049 204 HD21 LEU 31 1HD2 LEU 31 1.154 9.436 -0.268 205 HD22 LEU 31 2HD2 LEU 31 1.041 7.677 -0.311 206 HD23 LEU 31 3HD2 LEU 31 1.538 8.493 1.172 207 H VAL 32 H VAL 32 -0.475 9.744 -3.904 208 HA VAL 32 HA VAL 32 -2.657 8.169 -5.111 209 HB VAL 32 HB VAL 32 -1.220 10.449 -6.468 210 HG11 VAL 32 1HG1 VAL 32 -3.482 10.213 -7.821 211 HG12 VAL 32 2HG1 VAL 32 -2.070 9.223 -8.195 212 HG13 VAL 32 3HG1 VAL 32 -3.383 8.558 -7.223 213 HG21 VAL 32 1HG2 VAL 32 -3.345 10.508 -4.513 214 HG22 VAL 32 2HG2 VAL 32 -2.454 11.843 -5.246 215 HG23 VAL 32 3HG2 VAL 32 -3.875 11.182 -6.055 216 H ILE 33 H ILE 33 -2.080 7.164 -7.201 217 HA ILE 33 HA ILE 33 0.489 5.868 -6.989 218 HB ILE 33 HB ILE 33 -1.782 5.530 -8.945 219 HG12 ILE 33 1HG1 ILE 33 -0.786 3.436 -7.055 220 HG13 ILE 33 2HG1 ILE 33 -1.797 4.734 -6.430 221 HG21 ILE 33 1HG2 ILE 33 0.972 4.707 -9.165 222 HG22 ILE 33 2HG2 ILE 33 -0.106 3.313 -9.123 223 HG23 ILE 33 3HG2 ILE 33 -0.339 4.571 -10.337 224 HD11 ILE 33 1HD1 ILE 33 -3.416 3.240 -6.923 225 HD12 ILE 33 2HD1 ILE 33 -3.298 4.016 -8.502 226 HD13 ILE 33 3HD1 ILE 33 -2.481 2.481 -8.210 227 H THR 34 H THR 34 2.222 6.074 -8.327 228 HA THR 34 HA THR 34 2.326 8.467 -9.959 229 HB THR 34 HB THR 34 4.634 8.300 -9.910 230 HG1 THR 34 1HG THR 34 5.646 6.183 -9.422 231 HG21 THR 34 1HG2 THR 34 3.311 7.369 -7.470 232 HG22 THR 34 2HG2 THR 34 4.521 8.633 -7.691 233 HG23 THR 34 3HG2 THR 34 5.021 6.947 -7.558 234 H ARG 35 H ARG 35 2.457 4.973 -10.391 235 HA ARG 35 HA ARG 35 1.695 5.237 -13.150 236 HB2 ARG 35 1HB ARG 35 4.309 5.444 -12.921 237 HB3 ARG 35 2HB ARG 35 4.226 3.697 -12.740 238 HG2 ARG 35 1HG ARG 35 3.430 3.383 -14.898 239 HG3 ARG 35 2HG ARG 35 2.889 5.057 -15.044 240 HD2 ARG 35 1HD ARG 35 5.044 5.853 -15.396 241 HD3 ARG 35 2HD ARG 35 5.792 4.423 -14.686 242 HE ARG 35 HE ARG 35 4.308 3.874 -17.083 243 HH11 ARG 35 2HH1 ARG 35 7.374 4.895 -15.790 244 HH12 ARG 35 1HH1 ARG 35 8.277 4.387 -17.179 245 HH21 ARG 35 2HH2 ARG 35 5.485 3.202 -18.918 246 HH22 ARG 35 1HH2 ARG 35 7.201 3.425 -18.958 247 H ILE 36 H ILE 36 1.478 3.037 -14.189 248 HA ILE 36 HA ILE 36 1.002 0.927 -12.200 249 HB ILE 36 HB ILE 36 -0.949 1.968 -14.236 250 HG12 ILE 36 1HG1 ILE 36 -1.157 2.931 -12.038 251 HG13 ILE 36 2HG1 ILE 36 -2.490 1.804 -12.268 252 HG21 ILE 36 1HG2 ILE 36 -0.863 -0.767 -12.986 253 HG22 ILE 36 2HG2 ILE 36 -2.330 -0.065 -13.665 254 HG23 ILE 36 3HG2 ILE 36 -0.932 -0.354 -14.699 255 HD11 ILE 36 1HD1 ILE 36 -1.827 1.284 -10.145 256 HD12 ILE 36 2HD1 ILE 36 -0.872 0.131 -11.078 257 HD13 ILE 36 3HD1 ILE 36 -0.126 1.611 -10.476 258 H THR 37 H THR 37 1.284 -1.170 -12.918 259 HA THR 37 HA THR 37 2.994 -1.486 -15.197 260 HB THR 37 HB THR 37 1.767 -3.604 -13.421 261 HG1 THR 37 1HG THR 37 3.376 -3.207 -12.086 262 HG21 THR 37 1HG2 THR 37 4.295 -3.939 -14.980 263 HG22 THR 37 2HG2 THR 37 2.743 -4.173 -15.783 264 HG23 THR 37 3HG2 THR 37 3.172 -5.162 -14.388 265 HA PRO 38 HA PRO 38 -0.189 -2.259 -18.175 266 HB2 PRO 38 1HB PRO 38 1.413 -3.231 -20.140 267 HB3 PRO 38 2HB PRO 38 1.319 -1.512 -19.739 268 HG2 PRO 38 1HG PRO 38 3.367 -3.539 -18.925 269 HG3 PRO 38 2HG PRO 38 3.602 -1.868 -19.470 270 HD2 PRO 38 1HD PRO 38 3.679 -2.571 -16.857 271 HD3 PRO 38 2HD PRO 38 3.091 -0.988 -17.402 272 H GLY 39 H GLY 39 -1.555 -3.926 -18.201 273 HA2 GLY 39 1HA GLY 39 -2.371 -6.066 -17.981 274 HA3 GLY 39 2HA GLY 39 -1.056 -6.483 -19.071 275 H SER 40 H SER 40 -1.684 -5.830 -15.629 276 HA SER 40 HA SER 40 -0.254 -8.233 -14.897 277 HB2 SER 40 1HB SER 40 1.563 -7.314 -13.833 278 HB3 SER 40 2HB SER 40 1.353 -6.114 -15.108 279 HG SER 40 HG SER 40 -0.044 -5.014 -13.487 280 H LYS 41 H LYS 41 -0.022 -8.052 -12.270 281 HA LYS 41 HA LYS 41 -2.591 -8.357 -11.273 282 HB2 LYS 41 1HB LYS 41 -0.129 -7.596 -9.692 283 HB3 LYS 41 2HB LYS 41 -1.582 -8.354 -9.054 284 HG2 LYS 41 1HG LYS 41 -1.123 -10.305 -10.544 285 HG3 LYS 41 2HG LYS 41 0.420 -9.553 -10.952 286 HD2 LYS 41 1HD LYS 41 1.275 -9.848 -8.818 287 HD3 LYS 41 2HD LYS 41 -0.326 -9.981 -8.087 288 HE2 LYS 41 1HE LYS 41 -0.568 -12.185 -8.695 289 HE3 LYS 41 2HE LYS 41 0.532 -12.038 -10.066 290 HZ1 LYS 41 1HZ LYS 41 1.111 -13.035 -7.555 291 HZ2 LYS 41 2HZ LYS 41 1.908 -11.545 -7.643 292 HZ3 LYS 41 3HZ LYS 41 2.203 -12.732 -8.812 293 H ALA 42 H ALA 42 -0.709 -5.482 -11.694 294 HA ALA 42 HA ALA 42 -2.330 -3.869 -9.929 295 HB1 ALA 42 1HB ALA 42 0.144 -3.546 -11.412 296 HB2 ALA 42 2HB ALA 42 -0.900 -2.129 -11.527 297 HB3 ALA 42 3HB ALA 42 -0.411 -2.737 -9.946 298 H ALA 43 H ALA 43 -1.558 -3.348 -13.365 299 HA ALA 43 HA ALA 43 -3.729 -1.744 -13.959 300 HB1 ALA 43 1HB ALA 43 -3.369 -2.600 -16.349 301 HB2 ALA 43 2HB ALA 43 -2.021 -1.792 -15.548 302 HB3 ALA 43 3HB ALA 43 -2.050 -3.551 -15.664 303 H ALA 44 H ALA 44 -3.477 -5.268 -14.065 304 HA ALA 44 HA ALA 44 -5.977 -5.770 -15.263 305 HB1 ALA 44 1HB ALA 44 -4.049 -7.387 -14.971 306 HB2 ALA 44 2HB ALA 44 -4.614 -7.609 -13.314 307 HB3 ALA 44 3HB ALA 44 -5.663 -8.029 -14.668 308 H ALA 45 H ALA 45 -5.070 -4.917 -12.034 309 HA ALA 45 HA ALA 45 -7.616 -5.743 -10.901 310 HB1 ALA 45 1HB ALA 45 -6.477 -4.395 -8.893 311 HB2 ALA 45 2HB ALA 45 -6.085 -6.074 -9.265 312 HB3 ALA 45 3HB ALA 45 -5.034 -4.777 -9.833 313 H ASN 46 H ASN 46 -7.216 -3.524 -12.973 314 HA ASN 46 HA ASN 46 -8.251 -1.565 -13.491 315 HB2 ASN 46 1HB ASN 46 -9.712 -1.664 -10.862 316 HB3 ASN 46 2HB ASN 46 -10.252 -0.986 -12.395 317 HD21 ASN 46 1HD2 ASN 46 -10.172 -3.723 -10.391 318 HD22 ASN 46 2HD2 ASN 46 -10.972 -4.822 -11.457 319 H LEU 47 H LEU 47 -5.748 -1.545 -12.134 320 HA LEU 47 HA LEU 47 -5.913 0.751 -10.330 321 HB2 LEU 47 1HB LEU 47 -3.547 -0.955 -11.091 322 HB3 LEU 47 2HB LEU 47 -3.557 0.310 -9.865 323 HG LEU 47 HG LEU 47 -5.004 -2.333 -9.762 324 HD11 LEU 47 1HD1 LEU 47 -2.419 -1.867 -9.210 325 HD12 LEU 47 2HD1 LEU 47 -3.398 -3.057 -8.354 326 HD13 LEU 47 3HD1 LEU 47 -3.138 -1.460 -7.652 327 HD21 LEU 47 1HD2 LEU 47 -5.180 -1.137 -7.278 328 HD22 LEU 47 2HD2 LEU 47 -6.486 -1.308 -8.451 329 HD23 LEU 47 3HD2 LEU 47 -5.532 0.176 -8.402 330 H CYS 48 H CYS 48 -5.153 2.742 -10.821 331 HA CYS 48 HA CYS 48 -3.594 3.135 -13.253 332 HB2 CYS 48 1HB CYS 48 -5.078 4.735 -14.214 333 HB3 CYS 48 2HB CYS 48 -6.046 3.315 -13.836 334 HG CYS 48 HG CYS 48 -7.838 4.648 -12.592 335 HA PRO 49 HA PRO 49 -1.539 6.160 -10.823 336 HB2 PRO 49 1HB PRO 49 -0.626 7.821 -12.767 337 HB3 PRO 49 2HB PRO 49 0.054 6.215 -12.477 338 HG2 PRO 49 1HG PRO 49 -1.931 7.087 -14.541 339 HG3 PRO 49 2HG PRO 49 -0.535 6.008 -14.717 340 HD2 PRO 49 1HD PRO 49 -3.068 5.084 -14.470 341 HD3 PRO 49 2HD PRO 49 -1.663 4.199 -13.841 342 H GLY 50 H GLY 50 -3.206 7.162 -9.674 343 HA2 GLY 50 1HA GLY 50 -3.600 9.812 -9.782 344 HA3 GLY 50 2HA GLY 50 -4.784 9.240 -10.948 345 H ASP 51 H ASP 51 -4.948 6.725 -9.165 346 HA ASP 51 HA ASP 51 -7.293 7.459 -7.793 347 HB2 ASP 51 1HB ASP 51 -5.567 5.040 -7.918 348 HB3 ASP 51 2HB ASP 51 -6.673 5.170 -6.553 349 H VAL 52 H VAL 52 -7.670 8.176 -5.779 350 HA VAL 52 HA VAL 52 -5.376 8.925 -4.156 351 HB VAL 52 HB VAL 52 -8.316 9.515 -3.785 352 HG11 VAL 52 1HG1 VAL 52 -7.870 10.560 -1.847 353 HG12 VAL 52 2HG1 VAL 52 -6.442 9.523 -1.820 354 HG13 VAL 52 3HG1 VAL 52 -6.321 11.178 -2.419 355 HG21 VAL 52 1HG2 VAL 52 -7.852 11.693 -4.627 356 HG22 VAL 52 2HG2 VAL 52 -6.116 11.382 -4.654 357 HG23 VAL 52 3HG2 VAL 52 -7.181 10.538 -5.779 358 H ILE 53 H ILE 53 -4.594 7.445 -2.806 359 HA ILE 53 HA ILE 53 -6.072 5.228 -1.839 360 HB ILE 53 HB ILE 53 -3.515 6.307 -0.657 361 HG12 ILE 53 1HG1 ILE 53 -3.640 5.876 -3.246 362 HG13 ILE 53 2HG1 ILE 53 -2.263 5.291 -2.318 363 HG21 ILE 53 1HG2 ILE 53 -4.009 4.626 0.764 364 HG22 ILE 53 2HG2 ILE 53 -5.083 3.828 -0.384 365 HG23 ILE 53 3HG2 ILE 53 -3.337 3.625 -0.523 366 HD11 ILE 53 1HD1 ILE 53 -2.985 3.087 -2.413 367 HD12 ILE 53 2HD1 ILE 53 -4.637 3.545 -2.825 368 HD13 ILE 53 3HD1 ILE 53 -3.350 3.720 -4.018 369 H LEU 54 H LEU 54 -7.804 5.624 -0.581 370 HA LEU 54 HA LEU 54 -7.865 7.700 1.385 371 HB2 LEU 54 1HB LEU 54 -9.703 5.444 0.661 372 HB3 LEU 54 2HB LEU 54 -10.004 6.450 2.077 373 HG LEU 54 HG LEU 54 -9.773 7.533 -0.727 374 HD11 LEU 54 1HD1 LEU 54 -12.146 6.553 0.821 375 HD12 LEU 54 2HD1 LEU 54 -11.678 6.192 -0.840 376 HD13 LEU 54 3HD1 LEU 54 -12.304 7.789 -0.428 377 HD21 LEU 54 1HD2 LEU 54 -11.267 8.940 1.384 378 HD22 LEU 54 2HD2 LEU 54 -10.193 9.571 0.136 379 HD23 LEU 54 3HD2 LEU 54 -9.519 8.864 1.605 380 H ALA 55 H ALA 55 -7.616 4.163 1.503 381 HA ALA 55 HA ALA 55 -6.293 4.375 4.090 382 HB1 ALA 55 1HB ALA 55 -7.868 2.281 4.680 383 HB2 ALA 55 2HB ALA 55 -8.255 3.944 5.121 384 HB3 ALA 55 3HB ALA 55 -8.978 3.222 3.684 385 H ILE 56 H ILE 56 -5.287 2.320 4.753 386 HA ILE 56 HA ILE 56 -4.722 0.566 2.454 387 HB ILE 56 HB ILE 56 -2.758 1.603 4.498 388 HG12 ILE 56 1HG1 ILE 56 -2.697 1.826 1.486 389 HG13 ILE 56 2HG1 ILE 56 -3.381 3.066 2.530 390 HG21 ILE 56 1HG2 ILE 56 -1.453 -0.156 4.140 391 HG22 ILE 56 2HG2 ILE 56 -2.767 -0.900 3.230 392 HG23 ILE 56 3HG2 ILE 56 -1.555 0.072 2.395 393 HD11 ILE 56 1HD1 ILE 56 -0.539 2.101 2.700 394 HD12 ILE 56 2HD1 ILE 56 -1.060 3.518 1.787 395 HD13 ILE 56 3HD1 ILE 56 -1.257 3.476 3.539 396 H ASP 57 H ASP 57 -4.976 -1.544 2.812 397 HA ASP 57 HA ASP 57 -5.753 -3.408 3.915 398 HB2 ASP 57 1HB ASP 57 -3.154 -3.152 4.264 399 HB3 ASP 57 2HB ASP 57 -3.613 -2.913 5.948 400 H GLY 58 H GLY 58 -7.050 -0.961 4.772 401 HA2 GLY 58 1HA GLY 58 -8.778 -0.641 6.310 402 HA3 GLY 58 2HA GLY 58 -8.131 -1.959 7.276 403 H PHE 59 H PHE 59 -6.324 0.844 6.140 404 HA PHE 59 HA PHE 59 -6.341 1.982 8.832 405 HB2 PHE 59 1HB PHE 59 -3.977 0.828 7.432 406 HB3 PHE 59 2HB PHE 59 -3.739 2.303 8.365 407 HD1 PHE 59 2HD PHE 59 -4.138 2.312 10.791 408 HD2 PHE 59 1HD PHE 59 -4.361 -1.265 8.494 409 HE1 PHE 59 2HE PHE 59 -3.975 0.981 12.854 410 HE2 PHE 59 1HE PHE 59 -4.199 -2.602 10.553 411 HZ PHE 59 HZ PHE 59 -4.004 -1.479 12.737 412 H GLY 60 H GLY 60 -7.180 3.931 8.396 413 HA2 GLY 60 1HA GLY 60 -7.093 5.348 6.030 414 HA3 GLY 60 2HA GLY 60 -7.285 6.089 7.612 415 H THR 61 H THR 61 -5.801 6.900 5.127 416 HA THR 61 HA THR 61 -3.028 6.887 6.004 417 HB THR 61 HB THR 61 -2.520 7.999 3.904 418 HG1 THR 61 1HG THR 61 -4.429 9.298 3.783 419 HG21 THR 61 1HG2 THR 61 -4.123 6.231 2.486 420 HG22 THR 61 2HG2 THR 61 -3.954 5.483 4.074 421 HG23 THR 61 3HG2 THR 61 -2.519 5.899 3.139 422 H GLU 62 H GLU 62 -4.908 8.261 7.682 423 HA GLU 62 HA GLU 62 -4.600 11.089 7.205 424 HB2 GLU 62 1HB GLU 62 -5.809 11.378 9.295 425 HB3 GLU 62 2HB GLU 62 -6.623 10.192 8.285 426 HG2 GLU 62 1HG GLU 62 -5.235 8.475 9.664 427 HG3 GLU 62 2HG GLU 62 -5.110 9.799 10.822 428 H SER 63 H SER 63 -3.133 8.634 9.246 429 HA SER 63 HA SER 63 -1.176 10.644 10.152 430 HB2 SER 63 1HB SER 63 -0.894 9.329 12.204 431 HB3 SER 63 2HB SER 63 -2.576 9.821 12.008 432 HG SER 63 HG SER 63 -1.524 7.335 12.149 433 H MET 64 H MET 64 -1.361 8.589 7.853 434 HA MET 64 HA MET 64 1.156 7.171 8.414 435 HB2 MET 64 1HB MET 64 -0.228 5.464 7.791 436 HB3 MET 64 2HB MET 64 -1.250 6.506 6.810 437 HG2 MET 64 1HG MET 64 0.034 6.255 4.948 438 HG3 MET 64 2HG MET 64 1.513 5.989 5.869 439 HE1 MET 64 1HE MET 64 -2.078 4.089 5.264 440 HE2 MET 64 2HE MET 64 -1.616 2.698 6.246 441 HE3 MET 64 3HE MET 64 -1.633 4.313 6.957 442 H THR 65 H THR 65 2.852 8.264 7.672 443 HA THR 65 HA THR 65 2.638 10.082 5.446 444 HB THR 65 HB THR 65 4.875 10.719 5.894 445 HG1 THR 65 1HG THR 65 5.871 8.704 6.049 446 HG21 THR 65 1HG2 THR 65 2.959 10.588 7.965 447 HG22 THR 65 2HG2 THR 65 4.296 11.726 7.794 448 HG23 THR 65 3HG2 THR 65 4.524 10.224 8.690 449 H HIS 66 H HIS 66 4.331 9.993 3.687 450 HA HIS 66 HA HIS 66 3.981 7.835 2.039 451 HB2 HIS 66 1HB HIS 66 5.156 10.180 1.679 452 HB3 HIS 66 2HB HIS 66 6.619 9.233 1.935 453 HD1 HIS 66 1HD HIS 66 3.484 8.425 -0.071 454 HD2 HIS 66 2HD HIS 66 7.598 8.771 -0.540 455 HE1 HIS 66 1HE HIS 66 3.948 7.757 -2.451 456 HE2 HIS 66 2HE HIS 66 6.452 7.893 -2.686 457 H ALA 67 H ALA 67 6.840 8.423 4.089 458 HA ALA 67 HA ALA 67 8.251 6.118 3.533 459 HB1 ALA 67 1HB ALA 67 9.128 7.979 4.868 460 HB2 ALA 67 2HB ALA 67 8.074 7.510 6.203 461 HB3 ALA 67 3HB ALA 67 9.360 6.427 5.672 462 H ASP 68 H ASP 68 5.655 6.598 5.891 463 HA ASP 68 HA ASP 68 5.791 4.048 7.079 464 HB2 ASP 68 1HB ASP 68 4.450 6.255 7.713 465 HB3 ASP 68 2HB ASP 68 3.160 5.432 6.841 466 H ALA 69 H ALA 69 3.610 5.291 4.548 467 HA ALA 69 HA ALA 69 2.127 3.058 4.016 468 HB1 ALA 69 1HB ALA 69 1.375 4.238 2.279 469 HB2 ALA 69 2HB ALA 69 2.489 5.502 2.802 470 HB3 ALA 69 3HB ALA 69 2.979 4.355 1.555 471 H GLN 70 H GLN 70 5.464 3.665 3.155 472 HA GLN 70 HA GLN 70 5.748 1.569 1.274 473 HB2 GLN 70 1HB GLN 70 7.833 2.883 3.025 474 HB3 GLN 70 2HB GLN 70 8.172 1.853 1.640 475 HG2 GLN 70 1HG GLN 70 6.447 4.234 1.232 476 HG3 GLN 70 2HG GLN 70 8.178 4.478 1.455 477 HE21 GLN 70 1HE2 GLN 70 7.620 5.342 -0.813 478 HE22 GLN 70 2HE2 GLN 70 7.876 4.232 -2.112 479 H ASP 71 H ASP 71 6.079 1.737 4.769 480 HA ASP 71 HA ASP 71 7.125 -0.936 4.999 481 HB2 ASP 71 1HB ASP 71 6.397 1.254 6.875 482 HB3 ASP 71 2HB ASP 71 6.379 -0.389 7.511 483 H ARG 72 H ARG 72 4.070 0.385 4.510 484 HA ARG 72 HA ARG 72 2.662 -1.796 5.850 485 HB2 ARG 72 1HB ARG 72 1.889 0.849 4.729 486 HB3 ARG 72 2HB ARG 72 0.672 -0.421 4.714 487 HG2 ARG 72 1HG ARG 72 2.143 0.057 7.245 488 HG3 ARG 72 2HG ARG 72 0.938 1.245 6.744 489 HD2 ARG 72 1HD ARG 72 -0.777 -0.422 6.682 490 HD3 ARG 72 2HD ARG 72 0.398 -1.712 6.934 491 HE ARG 72 HE ARG 72 -0.734 0.031 8.938 492 HH11 ARG 72 2HH1 ARG 72 1.847 -2.157 8.121 493 HH12 ARG 72 1HH1 ARG 72 2.237 -2.520 9.769 494 HH21 ARG 72 2HH2 ARG 72 -0.231 -0.439 11.113 495 HH22 ARG 72 1HH2 ARG 72 1.053 -1.544 11.470 496 H ILE 73 H ILE 73 3.429 -0.596 2.647 497 HA ILE 73 HA ILE 73 1.722 -2.465 1.285 498 HB ILE 73 HB ILE 73 3.933 -0.678 0.271 499 HG12 ILE 73 1HG1 ILE 73 1.031 -0.391 -0.398 500 HG13 ILE 73 2HG1 ILE 73 1.601 0.168 1.171 501 HG21 ILE 73 1HG2 ILE 73 3.307 -1.250 -1.955 502 HG22 ILE 73 2HG2 ILE 73 3.600 -2.756 -1.088 503 HG23 ILE 73 3HG2 ILE 73 1.947 -2.219 -1.388 504 HD11 ILE 73 1HD1 ILE 73 1.665 1.537 -1.263 505 HD12 ILE 73 2HD1 ILE 73 2.382 2.029 0.271 506 HD13 ILE 73 3HD1 ILE 73 3.339 1.119 -0.898 507 H LYS 74 H LYS 74 5.181 -2.215 1.986 508 HA LYS 74 HA LYS 74 5.884 -4.588 0.560 509 HB2 LYS 74 1HB LYS 74 8.074 -4.278 1.425 510 HB3 LYS 74 2HB LYS 74 7.437 -2.670 1.108 511 HG2 LYS 74 1HG LYS 74 6.824 -2.543 3.539 512 HG3 LYS 74 2HG LYS 74 7.736 -4.038 3.768 513 HD2 LYS 74 1HD LYS 74 9.062 -1.782 2.352 514 HD3 LYS 74 2HD LYS 74 8.853 -1.662 4.101 515 HE2 LYS 74 1HE LYS 74 9.968 -4.171 2.935 516 HE3 LYS 74 2HE LYS 74 11.007 -2.753 3.069 517 HZ1 LYS 74 1HZ LYS 74 10.675 -4.537 5.018 518 HZ2 LYS 74 2HZ LYS 74 9.482 -3.417 5.445 519 HZ3 LYS 74 3HZ LYS 74 11.092 -2.921 5.295 520 H ALA 75 H ALA 75 5.074 -3.834 3.900 521 HA ALA 75 HA ALA 75 5.603 -6.565 4.753 522 HB1 ALA 75 1HB ALA 75 4.431 -4.326 6.391 523 HB2 ALA 75 2HB ALA 75 5.194 -5.808 6.971 524 HB3 ALA 75 3HB ALA 75 6.164 -4.571 6.170 525 H ALA 76 H ALA 76 3.240 -5.317 3.011 526 HA ALA 76 HA ALA 76 0.825 -5.809 4.277 527 HB1 ALA 76 1HB ALA 76 0.647 -4.755 2.221 528 HB2 ALA 76 2HB ALA 76 1.680 -5.934 1.412 529 HB3 ALA 76 3HB ALA 76 0.037 -6.375 1.879 530 H SER 77 H SER 77 -0.650 -7.680 3.105 531 HA SER 77 HA SER 77 0.675 -10.199 3.864 532 HB2 SER 77 1HB SER 77 -2.152 -9.232 4.169 533 HB3 SER 77 2HB SER 77 -1.805 -10.960 4.128 534 HG SER 77 HG SER 77 -0.633 -10.780 5.965 535 H TYR 78 H TYR 78 -0.602 -12.142 2.825 536 HA TYR 78 HA TYR 78 0.061 -12.447 0.241 537 HB2 TYR 78 1HB TYR 78 -2.009 -14.005 0.082 538 HB3 TYR 78 2HB TYR 78 -0.761 -14.372 1.268 539 HD1 TYR 78 1HD TYR 78 -1.162 -13.946 3.663 540 HD2 TYR 78 2HD TYR 78 -4.217 -13.359 0.760 541 HE1 TYR 78 1HE TYR 78 -2.850 -13.924 5.452 542 HE2 TYR 78 2HE TYR 78 -5.913 -13.334 2.541 543 HH TYR 78 HH TYR 78 -5.388 -12.780 5.574 544 H GLN 79 H GLN 79 -2.633 -10.602 1.427 545 HA GLN 79 HA GLN 79 -3.158 -9.684 -1.304 546 HB2 GLN 79 1HB GLN 79 -5.593 -9.752 -0.900 547 HB3 GLN 79 2HB GLN 79 -4.867 -11.354 -0.882 548 HG2 GLN 79 1HG GLN 79 -4.911 -11.370 1.544 549 HG3 GLN 79 2HG GLN 79 -5.584 -9.741 1.555 550 HE21 GLN 79 1HE2 GLN 79 -7.721 -9.424 0.903 551 HE22 GLN 79 2HE2 GLN 79 -8.854 -10.727 0.828 552 H LEU 80 H LEU 80 -3.226 -7.536 -1.431 553 HA LEU 80 HA LEU 80 -3.340 -6.004 1.063 554 HB2 LEU 80 1HB LEU 80 -1.407 -5.535 -0.242 555 HB3 LEU 80 2HB LEU 80 -2.369 -5.332 -1.704 556 HG LEU 80 HG LEU 80 -3.426 -3.339 -0.368 557 HD11 LEU 80 1HD1 LEU 80 -0.845 -3.867 1.069 558 HD12 LEU 80 2HD1 LEU 80 -2.447 -3.575 1.744 559 HD13 LEU 80 3HD1 LEU 80 -1.556 -2.255 0.987 560 HD21 LEU 80 1HD2 LEU 80 -2.420 -2.624 -2.264 561 HD22 LEU 80 2HD2 LEU 80 -0.951 -3.555 -1.969 562 HD23 LEU 80 3HD2 LEU 80 -1.215 -2.030 -1.122 563 H CYS 81 H CYS 81 -4.983 -4.679 1.544 564 HA CYS 81 HA CYS 81 -7.068 -4.297 -0.502 565 HB2 CYS 81 1HB CYS 81 -7.230 -4.636 2.483 566 HB3 CYS 81 2HB CYS 81 -8.543 -3.888 1.582 567 HG CYS 81 HG CYS 81 -8.329 -6.382 -0.173 568 H LEU 82 H LEU 82 -6.973 -2.321 -1.336 569 HA LEU 82 HA LEU 82 -6.448 -0.061 0.481 570 HB2 LEU 82 1HB LEU 82 -5.785 -0.213 -2.454 571 HB3 LEU 82 2HB LEU 82 -5.418 1.119 -1.360 572 HG LEU 82 HG LEU 82 -4.258 -1.643 -1.040 573 HD11 LEU 82 1HD1 LEU 82 -2.174 -0.458 -1.968 574 HD12 LEU 82 2HD1 LEU 82 -3.315 0.694 -2.660 575 HD13 LEU 82 3HD1 LEU 82 -3.401 -1.010 -3.107 576 HD21 LEU 82 1HD2 LEU 82 -2.597 0.393 -0.037 577 HD22 LEU 82 2HD2 LEU 82 -3.501 -0.817 0.874 578 HD23 LEU 82 3HD2 LEU 82 -4.229 0.752 0.527 579 H LYS 83 H LYS 83 -7.834 1.631 0.442 580 HA LYS 83 HA LYS 83 -10.231 1.326 -1.212 581 HB2 LYS 83 1HB LYS 83 -10.165 1.693 1.390 582 HB3 LYS 83 2HB LYS 83 -9.964 3.383 0.947 583 HG2 LYS 83 1HG LYS 83 -12.054 2.848 -0.587 584 HG3 LYS 83 2HG LYS 83 -12.314 1.603 0.637 585 HD2 LYS 83 1HD LYS 83 -11.874 3.611 2.286 586 HD3 LYS 83 2HD LYS 83 -12.378 4.571 0.894 587 HE2 LYS 83 1HE LYS 83 -14.344 2.805 0.844 588 HE3 LYS 83 2HE LYS 83 -13.933 2.649 2.551 589 HZ1 LYS 83 1HZ LYS 83 -14.078 5.379 1.802 590 HZ2 LYS 83 2HZ LYS 83 -14.953 4.550 2.989 591 HZ3 LYS 83 3HZ LYS 83 -15.516 4.586 1.394 592 H ILE 84 H ILE 84 -10.902 2.837 -2.664 593 HA ILE 84 HA ILE 84 -9.081 5.108 -3.131 594 HB ILE 84 HB ILE 84 -9.875 5.016 -5.508 595 HG12 ILE 84 1HG1 ILE 84 -10.733 2.195 -5.034 596 HG13 ILE 84 2HG1 ILE 84 -11.879 3.486 -4.690 597 HG21 ILE 84 1HG2 ILE 84 -8.553 2.858 -6.002 598 HG22 ILE 84 2HG2 ILE 84 -7.731 4.184 -5.182 599 HG23 ILE 84 3HG2 ILE 84 -8.304 2.796 -4.258 600 HD11 ILE 84 1HD1 ILE 84 -11.500 4.308 -7.024 601 HD12 ILE 84 2HD1 ILE 84 -10.582 2.830 -7.317 602 HD13 ILE 84 3HD1 ILE 84 -12.292 2.738 -6.895 603 H ASP 85 H ASP 85 -10.070 7.025 -4.107 604 HA ASP 85 HA ASP 85 -12.614 7.608 -2.832 605 HB2 ASP 85 1HB ASP 85 -12.057 9.837 -2.998 606 HB3 ASP 85 2HB ASP 85 -10.450 9.115 -2.978 607 H ARG 86 H ARG 86 -12.369 5.848 -5.248 608 HA ARG 86 HA ARG 86 -13.321 5.538 -7.308 609 HB2 ARG 86 1HB ARG 86 -15.402 6.905 -5.641 610 HB3 ARG 86 2HB ARG 86 -15.748 6.520 -7.322 611 HG2 ARG 86 1HG ARG 86 -15.151 4.146 -6.815 612 HG3 ARG 86 2HG ARG 86 -15.055 4.602 -5.113 613 HD2 ARG 86 1HD ARG 86 -17.229 3.637 -5.631 614 HD3 ARG 86 2HD ARG 86 -17.387 5.334 -5.178 615 HE ARG 86 HE ARG 86 -17.894 4.164 -7.782 616 HH11 ARG 86 2HH1 ARG 86 -17.410 7.060 -5.912 617 HH12 ARG 86 1HH1 ARG 86 -18.177 8.094 -7.071 618 HH21 ARG 86 2HH2 ARG 86 -18.907 5.514 -9.316 619 HH22 ARG 86 1HH2 ARG 86 -19.030 7.213 -9.007 620 H ALA 87 H ALA 87 -11.547 7.696 -7.337 621 HA ALA 87 HA ALA 87 -12.398 10.130 -8.261 622 HB1 ALA 87 1HB ALA 87 -10.036 9.454 -7.829 623 HB2 ALA 87 2HB ALA 87 -10.037 8.641 -9.395 624 HB3 ALA 87 3HB ALA 87 -10.264 10.388 -9.308 625 H GLU 88 H GLU 88 -14.008 10.398 -9.687 626 HA GLU 88 HA GLU 88 -14.508 8.654 -11.872 627 HB2 GLU 88 1HB GLU 88 -16.110 10.442 -12.595 628 HB3 GLU 88 2HB GLU 88 -16.346 9.873 -10.948 629 HG2 GLU 88 1HG GLU 88 -15.254 11.831 -10.067 630 HG3 GLU 88 2HG GLU 88 -14.868 12.385 -11.695 631 H THR 89 H THR 89 -13.029 11.866 -11.618 632 HA THR 89 HA THR 89 -12.000 11.517 -14.359 633 HB THR 89 HB THR 89 -12.577 14.149 -12.987 634 HG1 THR 89 1HG THR 89 -14.472 12.899 -13.609 635 HG21 THR 89 1HG2 THR 89 -11.428 13.374 -15.633 636 HG22 THR 89 2HG2 THR 89 -10.949 14.668 -14.534 637 HG23 THR 89 3HG2 THR 89 -12.404 14.838 -15.515 638 H ARG 90 H ARG 90 -11.237 11.882 -11.079 639 HA ARG 90 HA ARG 90 -9.297 12.168 -9.925 640 HB2 ARG 90 1HB ARG 90 -8.232 11.139 -12.553 641 HB3 ARG 90 2HB ARG 90 -7.205 11.415 -11.153 642 HG2 ARG 90 1HG ARG 90 -8.344 9.754 -9.888 643 HG3 ARG 90 2HG ARG 90 -9.603 9.603 -11.115 644 HD2 ARG 90 1HD ARG 90 -6.692 8.927 -11.517 645 HD3 ARG 90 2HD ARG 90 -7.968 7.756 -11.187 646 HE ARG 90 HE ARG 90 -7.409 9.054 -13.690 647 HH11 ARG 90 2HH1 ARG 90 -9.838 7.469 -11.765 648 HH12 ARG 90 1HH1 ARG 90 -10.797 6.997 -13.128 649 HH21 ARG 90 2HH2 ARG 90 -8.662 8.439 -15.493 650 HH22 ARG 90 1HH2 ARG 90 -10.127 7.548 -15.249 651 H LEU 91 H LEU 91 -10.202 14.540 -10.583 652 HA LEU 91 HA LEU 91 -7.784 16.062 -11.135 653 HB2 LEU 91 1HB LEU 91 -10.202 16.032 -12.853 654 HB3 LEU 91 2HB LEU 91 -9.436 17.591 -12.556 655 HG LEU 91 HG LEU 91 -8.195 15.177 -13.869 656 HD11 LEU 91 1HD1 LEU 91 -8.058 16.623 -15.818 657 HD12 LEU 91 2HD1 LEU 91 -8.827 17.931 -14.920 658 HD13 LEU 91 3HD1 LEU 91 -9.730 16.459 -15.279 659 HD21 LEU 91 1HD2 LEU 91 -6.973 17.380 -12.464 660 HD22 LEU 91 2HD2 LEU 91 -6.520 17.384 -14.169 661 HD23 LEU 91 3HD2 LEU 91 -6.228 15.951 -13.181 662 H TRP 92 H TRP 92 -7.636 17.148 -9.276 663 HA TRP 92 HA TRP 92 -8.108 18.608 -7.598 664 HB2 TRP 92 1HB TRP 92 -9.107 19.823 -9.730 665 HB3 TRP 92 2HB TRP 92 -10.636 19.497 -8.918 666 HD1 TRP 92 HD TRP 92 -9.854 20.094 -5.937 667 HE1 TRP 92 1HE TRP 92 -9.314 22.498 -5.193 668 HE3 TRP 92 3HE TRP 92 -8.668 22.103 -10.486 669 HZ2 TRP 92 2HZ TRP 92 -8.495 24.926 -6.379 670 HZ3 TRP 92 3HZ TRP 92 -8.017 24.473 -10.594 671 HH2 TRP 92 HH TRP 92 -7.934 25.854 -8.582 672 H SER 93 H SER 93 -8.927 16.007 -7.224 673 HA SER 93 HA SER 93 -11.650 16.018 -6.227 674 HB2 SER 93 1HB SER 93 -9.533 13.965 -6.642 675 HB3 SER 93 2HB SER 93 -10.740 13.644 -5.396 676 HG SER 93 HG SER 93 -11.771 14.569 -7.773 677 HA PRO 94 HA PRO 94 -10.629 17.234 -2.116 678 HB2 PRO 94 1HB PRO 94 -12.832 16.273 -0.855 679 HB3 PRO 94 2HB PRO 94 -12.862 17.717 -1.874 680 HG2 PRO 94 1HG PRO 94 -13.675 14.913 -2.537 681 HG3 PRO 94 2HG PRO 94 -14.488 16.438 -2.935 682 HD2 PRO 94 1HD PRO 94 -12.960 15.093 -4.720 683 HD3 PRO 94 2HD PRO 94 -13.091 16.863 -4.719 684 H GLN 95 H GLN 95 -11.137 16.027 0.207 685 HA GLN 95 HA GLN 95 -9.527 13.589 0.044 686 HB2 GLN 95 1HB GLN 95 -8.932 15.582 1.546 687 HB3 GLN 95 2HB GLN 95 -10.266 15.060 2.565 688 HG2 GLN 95 1HG GLN 95 -9.209 12.959 2.987 689 HG3 GLN 95 2HG GLN 95 -7.944 13.306 1.809 690 HE21 GLN 95 1HE2 GLN 95 -8.813 13.423 5.031 691 HE22 GLN 95 2HE2 GLN 95 -7.548 14.448 5.609 692 H VAL 96 H VAL 96 -12.495 13.834 -0.470 693 HA VAL 96 HA VAL 96 -13.358 11.794 1.476 694 HB VAL 96 HB VAL 96 -15.717 12.629 0.957 695 HG11 VAL 96 1HG1 VAL 96 -14.918 14.861 2.414 696 HG12 VAL 96 2HG1 VAL 96 -15.412 13.294 3.059 697 HG13 VAL 96 3HG1 VAL 96 -13.705 13.632 2.770 698 HG21 VAL 96 1HG2 VAL 96 -14.163 15.045 0.033 699 HG22 VAL 96 2HG2 VAL 96 -15.130 13.987 -0.995 700 HG23 VAL 96 3HG2 VAL 96 -15.911 14.958 0.253 701 H SER 97 H SER 97 -14.685 10.117 0.698 702 HA SER 97 HA SER 97 -14.093 9.294 -1.968 703 HB2 SER 97 1HB SER 97 -15.483 7.322 -1.427 704 HB3 SER 97 2HB SER 97 -14.299 7.656 -0.164 705 HG SER 97 HG SER 97 -16.365 9.007 0.566 706 H SER 98 H SER 98 -15.084 11.339 -2.875 707 HA SER 98 HA SER 98 -16.855 12.540 -3.756 708 HB2 SER 98 1HB SER 98 -18.075 11.124 -5.452 709 HB3 SER 98 2HB SER 98 -16.316 11.039 -5.550 710 HG SER 98 HG SER 98 -17.503 9.175 -3.892 711 H GLY 99 H GLY 99 -17.583 12.254 -1.230 712 HA2 GLY 99 1HA GLY 99 -20.051 10.816 -0.906 713 HA3 GLY 99 2HA GLY 99 -19.331 11.927 0.250 714 HA PRO 100 HA PRO 100 -22.523 14.790 -0.697 715 HB2 PRO 100 1HB PRO 100 -21.314 17.087 0.099 716 HB3 PRO 100 2HB PRO 100 -21.922 15.877 1.235 717 HG2 PRO 100 1HG PRO 100 -19.126 16.330 0.266 718 HG3 PRO 100 2HG PRO 100 -19.699 15.986 1.909 719 HD2 PRO 100 1HD PRO 100 -18.615 14.084 0.315 720 HD3 PRO 100 2HD PRO 100 -19.881 13.724 1.506 721 H SER 101 H SER 101 -19.424 14.911 -2.175 722 HA SER 101 HA SER 101 -19.466 17.173 -3.727 723 HB2 SER 101 1HB SER 101 -18.522 14.404 -4.507 724 HB3 SER 101 2HB SER 101 -18.129 15.880 -5.389 725 HG SER 101 HG SER 101 -17.348 15.115 -2.785 726 H SER 102 H SER 102 -20.107 17.596 -5.904 727 HA SER 102 HA SER 102 -22.618 16.247 -6.601 728 HB2 SER 102 1HB SER 102 -22.514 18.773 -6.256 729 HB3 SER 102 2HB SER 102 -21.594 18.841 -7.759 730 HG SER 102 HG SER 102 -24.226 18.708 -7.452 731 H GLY 103 H GLY 103 -19.701 17.557 -8.181 732 HA2 GLY 103 1HA GLY 103 -18.420 16.381 -9.786 733 HA3 GLY 103 2HA GLY 103 -19.788 15.313 -10.059 Start of MODEL 5 1 H1 GLY 1 H GLY 1 -28.897 0.216 3.248 2 HA2 GLY 1 1HA GLY 1 -28.717 2.529 4.088 3 HA3 GLY 1 2HA GLY 1 -28.225 1.837 5.626 4 H SER 2 H SER 2 -27.245 2.613 2.378 5 HA SER 2 HA SER 2 -24.463 2.546 3.219 6 HB2 SER 2 1HB SER 2 -23.702 1.162 1.399 7 HB3 SER 2 2HB SER 2 -24.962 0.278 2.261 8 HG SER 2 HG SER 2 -26.327 0.575 0.610 9 H SER 3 H SER 3 -23.811 4.536 2.762 10 HA SER 3 HA SER 3 -24.406 5.627 0.098 11 HB2 SER 3 1HB SER 3 -25.767 6.592 2.143 12 HB3 SER 3 2HB SER 3 -24.276 7.486 2.440 13 HG SER 3 HG SER 3 -24.436 8.300 0.308 14 H GLY 4 H GLY 4 -22.786 6.839 -0.846 15 HA2 GLY 4 1HA GLY 4 -20.727 8.178 -0.467 16 HA3 GLY 4 2HA GLY 4 -20.234 6.911 0.645 17 H SER 5 H SER 5 -18.637 7.757 -1.478 18 HA SER 5 HA SER 5 -18.912 5.718 -3.550 19 HB2 SER 5 1HB SER 5 -17.329 8.243 -3.274 20 HB3 SER 5 2HB SER 5 -16.766 7.000 -4.391 21 HG SER 5 HG SER 5 -18.210 8.578 -5.329 22 H SER 6 H SER 6 -18.436 3.966 -2.060 23 HA SER 6 HA SER 6 -15.705 3.816 -1.057 24 HB2 SER 6 1HB SER 6 -16.415 1.819 0.106 25 HB3 SER 6 2HB SER 6 -17.640 3.065 0.343 26 HG SER 6 HG SER 6 -18.361 0.858 -0.279 27 H GLY 7 H GLY 7 -14.187 3.215 -2.458 28 HA2 GLY 7 1HA GLY 7 -14.875 1.189 -4.488 29 HA3 GLY 7 2HA GLY 7 -13.588 2.375 -4.648 30 H ASN 8 H ASN 8 -14.517 -0.696 -3.338 31 HA ASN 8 HA ASN 8 -12.146 -1.128 -1.805 32 HB2 ASN 8 1HB ASN 8 -12.921 -3.441 -1.629 33 HB3 ASN 8 2HB ASN 8 -14.249 -2.323 -1.331 34 HD21 ASN 8 1HD2 ASN 8 -12.758 -4.323 -3.824 35 HD22 ASN 8 2HD2 ASN 8 -14.219 -4.651 -4.686 36 H VAL 9 H VAL 9 -10.340 -2.359 -2.303 37 HA VAL 9 HA VAL 9 -10.050 -3.403 -5.010 38 HB VAL 9 HB VAL 9 -8.217 -1.293 -3.865 39 HG11 VAL 9 1HG1 VAL 9 -7.892 -2.738 -6.486 40 HG12 VAL 9 2HG1 VAL 9 -6.767 -1.618 -5.716 41 HG13 VAL 9 3HG1 VAL 9 -7.050 -3.210 -5.010 42 HG21 VAL 9 1HG2 VAL 9 -8.958 0.128 -5.541 43 HG22 VAL 9 2HG2 VAL 9 -9.579 -1.193 -6.530 44 HG23 VAL 9 3HG2 VAL 9 -10.438 -0.707 -5.068 45 H VAL 10 H VAL 10 -9.529 -5.449 -4.567 46 HA VAL 10 HA VAL 10 -7.479 -5.956 -2.510 47 HB VAL 10 HB VAL 10 -9.381 -8.039 -3.551 48 HG11 VAL 10 1HG1 VAL 10 -7.380 -8.778 -2.330 49 HG12 VAL 10 2HG1 VAL 10 -7.870 -7.792 -0.951 50 HG13 VAL 10 3HG1 VAL 10 -8.866 -9.157 -1.460 51 HG21 VAL 10 1HG2 VAL 10 -10.323 -7.302 -1.057 52 HG22 VAL 10 2HG2 VAL 10 -9.994 -5.764 -1.855 53 HG23 VAL 10 3HG2 VAL 10 -11.076 -6.934 -2.609 54 H LEU 11 H LEU 11 -5.587 -6.026 -3.587 55 HA LEU 11 HA LEU 11 -5.413 -7.396 -6.151 56 HB2 LEU 11 1HB LEU 11 -3.157 -6.108 -4.642 57 HB3 LEU 11 2HB LEU 11 -3.256 -6.457 -6.367 58 HG LEU 11 HG LEU 11 -4.866 -4.365 -4.904 59 HD11 LEU 11 1HD1 LEU 11 -3.478 -2.756 -6.070 60 HD12 LEU 11 2HD1 LEU 11 -2.554 -4.061 -6.814 61 HD13 LEU 11 3HD1 LEU 11 -2.481 -3.813 -5.070 62 HD21 LEU 11 1HD2 LEU 11 -4.640 -4.920 -7.859 63 HD22 LEU 11 2HD2 LEU 11 -5.619 -3.672 -7.087 64 HD23 LEU 11 3HD2 LEU 11 -6.012 -5.375 -6.849 65 HA PRO 12 HA PRO 12 -3.990 -11.189 -4.411 66 HB2 PRO 12 1HB PRO 12 -2.792 -12.217 -6.620 67 HB3 PRO 12 2HB PRO 12 -4.548 -12.140 -6.427 68 HG2 PRO 12 1HG PRO 12 -2.726 -10.311 -7.943 69 HG3 PRO 12 2HG PRO 12 -4.306 -10.962 -8.417 70 HD2 PRO 12 1HD PRO 12 -3.994 -8.448 -7.459 71 HD3 PRO 12 2HD PRO 12 -5.462 -9.404 -7.172 72 H GLY 13 H GLY 13 -2.304 -11.456 -3.097 73 HA2 GLY 13 1HA GLY 13 0.331 -10.458 -3.990 74 HA3 GLY 13 2HA GLY 13 -0.200 -10.451 -2.314 75 HA PRO 14 HA PRO 14 1.372 -10.665 -1.113 76 HB2 PRO 14 1HB PRO 14 4.023 -11.136 -0.765 77 HB3 PRO 14 2HB PRO 14 2.773 -11.904 0.221 78 HG2 PRO 14 1HG PRO 14 4.264 -12.996 -2.133 79 HG3 PRO 14 2HG PRO 14 3.856 -13.790 -0.601 80 HD2 PRO 14 1HD PRO 14 2.448 -14.204 -2.877 81 HD3 PRO 14 2HD PRO 14 1.698 -14.248 -1.269 82 H ALA 15 H ALA 15 3.519 -9.169 -1.306 83 HA ALA 15 HA ALA 15 3.329 -7.935 -3.836 84 HB1 ALA 15 1HB ALA 15 5.716 -7.079 -2.603 85 HB2 ALA 15 2HB ALA 15 4.153 -6.264 -2.634 86 HB3 ALA 15 3HB ALA 15 4.544 -7.369 -1.317 87 HA PRO 16 HA PRO 16 5.220 -6.304 -4.527 88 HB2 PRO 16 1HB PRO 16 5.616 -5.900 -7.182 89 HB3 PRO 16 2HB PRO 16 6.937 -5.936 -6.008 90 HG2 PRO 16 1HG PRO 16 5.983 -8.092 -7.853 91 HG3 PRO 16 2HG PRO 16 7.643 -7.606 -7.465 92 HD2 PRO 16 1HD PRO 16 6.457 -9.765 -6.340 93 HD3 PRO 16 2HD PRO 16 7.657 -8.778 -5.480 94 H TRP 17 H TRP 17 3.632 -4.994 -5.775 95 HA TRP 17 HA TRP 17 1.314 -6.653 -6.471 96 HB2 TRP 17 1HB TRP 17 1.348 -3.692 -5.866 97 HB3 TRP 17 2HB TRP 17 -0.059 -4.748 -5.954 98 HD1 TRP 17 HD TRP 17 2.344 -3.327 -3.526 99 HE1 TRP 17 1HE TRP 17 2.049 -4.427 -1.218 100 HE3 TRP 17 3HE TRP 17 -0.617 -7.269 -4.879 101 HZ2 TRP 17 2HZ TRP 17 0.735 -6.669 -0.116 102 HZ3 TRP 17 3HZ TRP 17 -1.349 -8.845 -3.137 103 HH2 TRP 17 HH TRP 17 -0.686 -8.551 -0.806 104 H GLY 18 H GLY 18 3.060 -3.751 -7.573 105 HA2 GLY 18 1HA GLY 18 3.608 -3.824 -10.021 106 HA3 GLY 18 2HA GLY 18 1.911 -4.216 -10.256 107 H PHE 19 H PHE 19 1.772 -2.164 -7.787 108 HA PHE 19 HA PHE 19 1.515 0.175 -9.556 109 HB2 PHE 19 1HB PHE 19 -0.268 0.957 -8.213 110 HB3 PHE 19 2HB PHE 19 -0.564 -0.768 -8.411 111 HD1 PHE 19 2HD PHE 19 -0.281 -2.301 -6.549 112 HD2 PHE 19 1HD PHE 19 0.333 1.884 -6.078 113 HE1 PHE 19 2HE PHE 19 -0.381 -2.565 -4.104 114 HE2 PHE 19 1HE PHE 19 0.236 1.627 -3.633 115 HZ PHE 19 HZ PHE 19 -0.123 -0.599 -2.643 116 H ARG 20 H ARG 20 2.004 2.273 -8.637 117 HA ARG 20 HA ARG 20 4.143 2.107 -6.620 118 HB2 ARG 20 1HB ARG 20 3.760 4.300 -8.659 119 HB3 ARG 20 2HB ARG 20 5.166 4.017 -7.641 120 HG2 ARG 20 1HG ARG 20 4.236 2.455 -10.024 121 HG3 ARG 20 2HG ARG 20 5.787 3.255 -9.760 122 HD2 ARG 20 1HD ARG 20 6.137 1.622 -7.849 123 HD3 ARG 20 2HD ARG 20 4.749 0.738 -8.484 124 HE ARG 20 HE ARG 20 6.741 1.245 -10.474 125 HH11 ARG 20 2HH1 ARG 20 5.827 -0.862 -7.857 126 HH12 ARG 20 1HH1 ARG 20 6.718 -2.218 -8.465 127 HH21 ARG 20 2HH2 ARG 20 7.917 -0.533 -11.285 128 HH22 ARG 20 1HH2 ARG 20 7.907 -2.030 -10.415 129 H LEU 21 H LEU 21 4.466 4.385 -5.551 130 HA LEU 21 HA LEU 21 1.834 5.466 -4.800 131 HB2 LEU 21 1HB LEU 21 2.953 5.783 -2.488 132 HB3 LEU 21 2HB LEU 21 2.293 4.209 -2.930 133 HG LEU 21 HG LEU 21 4.495 3.343 -3.354 134 HD11 LEU 21 1HD1 LEU 21 5.621 5.181 -4.329 135 HD12 LEU 21 2HD1 LEU 21 6.490 4.792 -2.845 136 HD13 LEU 21 3HD1 LEU 21 5.396 6.175 -2.890 137 HD21 LEU 21 1HD2 LEU 21 5.507 4.205 -0.975 138 HD22 LEU 21 2HD2 LEU 21 4.313 2.921 -1.160 139 HD23 LEU 21 3HD2 LEU 21 3.790 4.564 -0.787 140 H SER 22 H SER 22 1.839 7.649 -4.041 141 HA SER 22 HA SER 22 4.278 9.197 -4.366 142 HB2 SER 22 1HB SER 22 2.854 8.954 -6.600 143 HB3 SER 22 2HB SER 22 1.912 10.244 -5.853 144 HG SER 22 HG SER 22 3.470 11.588 -6.268 145 H GLY 23 H GLY 23 3.843 11.566 -3.851 146 HA2 GLY 23 1HA GLY 23 3.107 13.146 -2.357 147 HA3 GLY 23 2HA GLY 23 1.530 12.379 -2.477 148 H GLY 24 H GLY 24 1.328 12.942 -0.200 149 HA2 GLY 24 1HA GLY 24 1.357 10.951 1.574 150 HA3 GLY 24 2HA GLY 24 3.029 11.485 1.660 151 H ILE 25 H ILE 25 0.670 11.563 3.570 152 HA ILE 25 HA ILE 25 -0.252 14.132 4.006 153 HB ILE 25 HB ILE 25 -0.608 13.518 6.325 154 HG12 ILE 25 1HG1 ILE 25 0.752 10.886 5.961 155 HG13 ILE 25 2HG1 ILE 25 1.749 12.294 6.309 156 HG21 ILE 25 1HG2 ILE 25 -2.273 12.126 5.792 157 HG22 ILE 25 2HG2 ILE 25 -1.656 12.230 4.144 158 HG23 ILE 25 3HG2 ILE 25 -1.168 10.893 5.185 159 HD11 ILE 25 1HD1 ILE 25 -0.609 11.558 8.004 160 HD12 ILE 25 2HD1 ILE 25 1.000 10.888 8.276 161 HD13 ILE 25 3HD1 ILE 25 0.737 12.628 8.393 162 H ASP 26 H ASP 26 2.934 12.981 4.236 163 HA ASP 26 HA ASP 26 3.815 15.003 6.123 164 HB2 ASP 26 1HB ASP 26 4.895 12.834 6.224 165 HB3 ASP 26 2HB ASP 26 5.344 12.940 4.524 166 H PHE 27 H PHE 27 3.730 14.461 2.680 167 HA PHE 27 HA PHE 27 5.395 16.806 2.173 168 HB2 PHE 27 1HB PHE 27 4.191 14.752 0.311 169 HB3 PHE 27 2HB PHE 27 5.144 16.130 -0.227 170 HD1 PHE 27 1HD PHE 27 5.278 13.068 1.854 171 HD2 PHE 27 2HD PHE 27 7.476 16.028 -0.274 172 HE1 PHE 27 1HE PHE 27 7.337 11.756 2.163 173 HE2 PHE 27 2HE PHE 27 9.538 14.720 0.030 174 HZ PHE 27 HZ PHE 27 9.470 12.581 1.249 175 H ASN 28 H ASN 28 2.452 16.616 3.176 176 HA ASN 28 HA ASN 28 0.538 17.828 2.975 177 HB2 ASN 28 1HB ASN 28 2.173 19.745 1.308 178 HB3 ASN 28 2HB ASN 28 0.744 20.109 2.271 179 HD21 ASN 28 1HD2 ASN 28 1.048 19.367 4.655 180 HD22 ASN 28 2HD2 ASN 28 2.526 19.881 5.386 181 H GLN 29 H GLN 29 0.842 15.749 1.131 182 HA GLN 29 HA GLN 29 -0.901 16.715 -0.992 183 HB2 GLN 29 1HB GLN 29 1.808 15.516 -1.429 184 HB3 GLN 29 2HB GLN 29 0.528 15.217 -2.597 185 HG2 GLN 29 1HG GLN 29 1.554 17.918 -1.755 186 HG3 GLN 29 2HG GLN 29 1.927 17.088 -3.265 187 HE21 GLN 29 1HE2 GLN 29 0.465 17.103 -4.910 188 HE22 GLN 29 2HE2 GLN 29 -0.997 18.023 -4.882 189 HA PRO 30 HA PRO 30 -2.987 12.918 -0.284 190 HB2 PRO 30 1HB PRO 30 -4.124 12.505 -2.715 191 HB3 PRO 30 2HB PRO 30 -4.681 13.752 -1.593 192 HG2 PRO 30 1HG PRO 30 -2.889 14.012 -3.976 193 HG3 PRO 30 2HG PRO 30 -4.222 15.061 -3.459 194 HD2 PRO 30 1HD PRO 30 -1.624 15.671 -2.997 195 HD3 PRO 30 2HD PRO 30 -2.928 16.142 -1.887 196 H LEU 31 H LEU 31 -2.710 10.731 -0.485 197 HA LEU 31 HA LEU 31 -0.324 9.826 -1.791 198 HB2 LEU 31 1HB LEU 31 -2.448 8.525 -0.132 199 HB3 LEU 31 2HB LEU 31 -1.256 7.547 -0.983 200 HG LEU 31 HG LEU 31 -0.578 9.673 1.046 201 HD11 LEU 31 1HD1 LEU 31 0.014 6.981 1.849 202 HD12 LEU 31 2HD1 LEU 31 -1.706 7.154 1.502 203 HD13 LEU 31 3HD1 LEU 31 -0.934 8.216 2.678 204 HD21 LEU 31 1HD2 LEU 31 1.507 7.911 0.891 205 HD22 LEU 31 2HD2 LEU 31 1.428 9.473 0.075 206 HD23 LEU 31 3HD2 LEU 31 0.970 8.004 -0.787 207 H VAL 32 H VAL 32 -0.312 9.598 -3.934 208 HA VAL 32 HA VAL 32 -2.517 8.086 -5.171 209 HB VAL 32 HB VAL 32 -2.113 9.432 -7.256 210 HG11 VAL 32 1HG1 VAL 32 -3.023 11.587 -5.665 211 HG12 VAL 32 2HG1 VAL 32 -3.980 10.432 -6.595 212 HG13 VAL 32 3HG1 VAL 32 -3.584 10.095 -4.909 213 HG21 VAL 32 1HG2 VAL 32 -0.203 10.740 -5.432 214 HG22 VAL 32 2HG2 VAL 32 -0.170 10.582 -7.189 215 HG23 VAL 32 3HG2 VAL 32 -1.172 11.822 -6.433 216 H ILE 33 H ILE 33 -1.929 6.926 -7.124 217 HA ILE 33 HA ILE 33 0.625 5.645 -6.856 218 HB ILE 33 HB ILE 33 -1.546 5.299 -8.926 219 HG12 ILE 33 1HG1 ILE 33 -0.772 3.429 -6.688 220 HG13 ILE 33 2HG1 ILE 33 -1.999 4.676 -6.491 221 HG21 ILE 33 1HG2 ILE 33 -0.176 4.014 -10.107 222 HG22 ILE 33 2HG2 ILE 33 1.144 4.477 -9.035 223 HG23 ILE 33 3HG2 ILE 33 0.186 3.039 -8.683 224 HD11 ILE 33 1HD1 ILE 33 -2.442 3.054 -8.852 225 HD12 ILE 33 2HD1 ILE 33 -2.413 2.105 -7.366 226 HD13 ILE 33 3HD1 ILE 33 -3.535 3.456 -7.527 227 H THR 34 H THR 34 2.411 5.839 -8.105 228 HA THR 34 HA THR 34 2.588 8.173 -9.808 229 HB THR 34 HB THR 34 4.906 7.956 -9.714 230 HG1 THR 34 1HG THR 34 5.948 5.980 -9.310 231 HG21 THR 34 1HG2 THR 34 3.536 7.090 -7.232 232 HG22 THR 34 2HG2 THR 34 4.551 8.500 -7.533 233 HG23 THR 34 3HG2 THR 34 5.290 6.920 -7.279 234 H ARG 35 H ARG 35 2.659 4.672 -10.141 235 HA ARG 35 HA ARG 35 2.014 4.867 -12.931 236 HB2 ARG 35 1HB ARG 35 4.653 5.003 -12.529 237 HB3 ARG 35 2HB ARG 35 4.470 3.255 -12.471 238 HG2 ARG 35 1HG ARG 35 3.084 3.737 -14.696 239 HG3 ARG 35 2HG ARG 35 4.178 5.121 -14.742 240 HD2 ARG 35 1HD ARG 35 5.330 2.442 -14.167 241 HD3 ARG 35 2HD ARG 35 4.820 2.787 -15.819 242 HE ARG 35 HE ARG 35 7.060 3.943 -14.406 243 HH11 ARG 35 2HH1 ARG 35 4.870 4.213 -17.099 244 HH12 ARG 35 1HH1 ARG 35 5.931 5.219 -18.029 245 HH21 ARG 35 2HH2 ARG 35 8.466 5.267 -15.621 246 HH22 ARG 35 1HH2 ARG 35 7.976 5.817 -17.188 247 H ILE 36 H ILE 36 1.727 2.679 -13.913 248 HA ILE 36 HA ILE 36 1.202 0.607 -11.894 249 HB ILE 36 HB ILE 36 -0.688 1.414 -14.108 250 HG12 ILE 36 1HG1 ILE 36 -0.631 2.866 -12.049 251 HG13 ILE 36 2HG1 ILE 36 -2.188 2.112 -12.376 252 HG21 ILE 36 1HG2 ILE 36 -1.256 -0.660 -12.024 253 HG22 ILE 36 2HG2 ILE 36 -2.043 -0.397 -13.579 254 HG23 ILE 36 3HG2 ILE 36 -0.420 -1.084 -13.518 255 HD11 ILE 36 1HD1 ILE 36 -2.114 0.846 -10.513 256 HD12 ILE 36 2HD1 ILE 36 -0.363 0.643 -10.584 257 HD13 ILE 36 3HD1 ILE 36 -1.053 2.144 -9.966 258 H THR 37 H THR 37 1.653 -1.454 -12.501 259 HA THR 37 HA THR 37 3.389 -1.893 -14.673 260 HB THR 37 HB THR 37 1.834 -3.926 -13.062 261 HG1 THR 37 1HG THR 37 4.569 -3.410 -12.707 262 HG21 THR 37 1HG2 THR 37 4.347 -4.332 -14.682 263 HG22 THR 37 2HG2 THR 37 2.731 -4.751 -15.250 264 HG23 THR 37 3HG2 THR 37 3.407 -5.560 -13.837 265 HA PRO 38 HA PRO 38 0.514 -2.380 -17.996 266 HB2 PRO 38 1HB PRO 38 2.211 -3.536 -19.772 267 HB3 PRO 38 2HB PRO 38 2.261 -1.814 -19.376 268 HG2 PRO 38 1HG PRO 38 3.970 -4.045 -18.344 269 HG3 PRO 38 2HG PRO 38 4.446 -2.414 -18.852 270 HD2 PRO 38 1HD PRO 38 4.151 -3.102 -16.250 271 HD3 PRO 38 2HD PRO 38 3.804 -1.467 -16.851 272 H GLY 39 H GLY 39 -1.036 -3.882 -17.972 273 HA2 GLY 39 1HA GLY 39 -2.091 -5.921 -17.874 274 HA3 GLY 39 2HA GLY 39 -0.764 -6.476 -18.884 275 H SER 40 H SER 40 -1.478 -5.730 -15.475 276 HA SER 40 HA SER 40 -0.278 -8.273 -14.709 277 HB2 SER 40 1HB SER 40 1.429 -7.445 -13.420 278 HB3 SER 40 2HB SER 40 1.371 -6.169 -14.636 279 HG SER 40 HG SER 40 -0.094 -5.067 -13.157 280 H LYS 41 H LYS 41 -0.346 -8.209 -12.067 281 HA LYS 41 HA LYS 41 -3.050 -8.437 -11.408 282 HB2 LYS 41 1HB LYS 41 -0.765 -7.990 -9.482 283 HB3 LYS 41 2HB LYS 41 -2.317 -8.733 -9.117 284 HG2 LYS 41 1HG LYS 41 -1.803 -10.650 -10.415 285 HG3 LYS 41 2HG LYS 41 -0.375 -9.877 -11.106 286 HD2 LYS 41 1HD LYS 41 0.655 -9.824 -8.873 287 HD3 LYS 41 2HD LYS 41 -0.765 -10.636 -8.211 288 HE2 LYS 41 1HE LYS 41 -0.332 -12.535 -9.744 289 HE3 LYS 41 2HE LYS 41 1.144 -11.730 -10.274 290 HZ1 LYS 41 1HZ LYS 41 1.275 -11.779 -7.526 291 HZ2 LYS 41 2HZ LYS 41 2.158 -12.742 -8.600 292 HZ3 LYS 41 3HZ LYS 41 0.701 -13.311 -7.958 293 H ALA 42 H ALA 42 -0.950 -5.694 -11.399 294 HA ALA 42 HA ALA 42 -2.587 -4.100 -9.642 295 HB1 ALA 42 1HB ALA 42 -0.690 -2.963 -9.487 296 HB2 ALA 42 2HB ALA 42 0.013 -3.897 -10.809 297 HB3 ALA 42 3HB ALA 42 -0.899 -2.427 -11.154 298 H ALA 43 H ALA 43 -1.574 -3.380 -12.977 299 HA ALA 43 HA ALA 43 -3.626 -1.615 -13.563 300 HB1 ALA 43 1HB ALA 43 -1.625 -1.825 -14.935 301 HB2 ALA 43 2HB ALA 43 -2.149 -3.420 -15.476 302 HB3 ALA 43 3HB ALA 43 -3.079 -1.990 -15.920 303 H ALA 44 H ALA 44 -3.493 -5.122 -14.062 304 HA ALA 44 HA ALA 44 -5.936 -5.388 -15.423 305 HB1 ALA 44 1HB ALA 44 -5.762 -7.714 -15.018 306 HB2 ALA 44 2HB ALA 44 -4.114 -7.117 -15.215 307 HB3 ALA 44 3HB ALA 44 -4.740 -7.463 -13.603 308 H ALA 45 H ALA 45 -5.250 -4.709 -12.141 309 HA ALA 45 HA ALA 45 -7.838 -5.640 -11.185 310 HB1 ALA 45 1HB ALA 45 -6.462 -6.026 -9.448 311 HB2 ALA 45 2HB ALA 45 -5.313 -4.783 -9.945 312 HB3 ALA 45 3HB ALA 45 -6.777 -4.331 -9.072 313 H ASN 46 H ASN 46 -7.398 -3.341 -13.130 314 HA ASN 46 HA ASN 46 -8.471 -1.390 -13.610 315 HB2 ASN 46 1HB ASN 46 -9.912 -1.618 -10.970 316 HB3 ASN 46 2HB ASN 46 -10.448 -0.799 -12.434 317 HD21 ASN 46 1HD2 ASN 46 -10.496 -2.360 -14.392 318 HD22 ASN 46 2HD2 ASN 46 -11.295 -3.864 -14.103 319 H LEU 47 H LEU 47 -5.970 -1.454 -12.160 320 HA LEU 47 HA LEU 47 -6.149 0.883 -10.407 321 HB2 LEU 47 1HB LEU 47 -3.767 -0.865 -10.995 322 HB3 LEU 47 2HB LEU 47 -3.891 0.362 -9.735 323 HG LEU 47 HG LEU 47 -5.419 -2.239 -9.842 324 HD11 LEU 47 1HD1 LEU 47 -3.511 -1.541 -7.680 325 HD12 LEU 47 2HD1 LEU 47 -2.849 -2.049 -9.233 326 HD13 LEU 47 3HD1 LEU 47 -3.942 -3.115 -8.350 327 HD21 LEU 47 1HD2 LEU 47 -6.881 -1.162 -8.543 328 HD22 LEU 47 2HD2 LEU 47 -5.805 0.218 -8.323 329 HD23 LEU 47 3HD2 LEU 47 -5.628 -1.210 -7.303 330 H CYS 48 H CYS 48 -5.318 2.835 -10.920 331 HA CYS 48 HA CYS 48 -3.650 3.090 -13.310 332 HB2 CYS 48 1HB CYS 48 -6.346 4.319 -12.886 333 HB3 CYS 48 2HB CYS 48 -5.129 5.215 -13.788 334 HG CYS 48 HG CYS 48 -5.531 2.047 -14.802 335 HA PRO 49 HA PRO 49 -1.385 5.907 -10.812 336 HB2 PRO 49 1HB PRO 49 -0.193 7.389 -12.750 337 HB3 PRO 49 2HB PRO 49 0.288 5.729 -12.377 338 HG2 PRO 49 1HG PRO 49 -1.479 6.742 -14.571 339 HG3 PRO 49 2HG PRO 49 -0.205 5.510 -14.639 340 HD2 PRO 49 1HD PRO 49 -2.836 4.881 -14.505 341 HD3 PRO 49 2HD PRO 49 -1.573 3.869 -13.775 342 H GLY 50 H GLY 50 -2.920 7.161 -9.761 343 HA2 GLY 50 1HA GLY 50 -3.024 9.826 -10.004 344 HA3 GLY 50 2HA GLY 50 -4.234 9.330 -11.178 345 H ASP 51 H ASP 51 -4.709 6.937 -9.280 346 HA ASP 51 HA ASP 51 -7.003 7.972 -8.028 347 HB2 ASP 51 1HB ASP 51 -5.486 5.397 -7.838 348 HB3 ASP 51 2HB ASP 51 -6.759 5.734 -6.668 349 H VAL 52 H VAL 52 -7.438 7.836 -5.652 350 HA VAL 52 HA VAL 52 -5.125 8.874 -4.145 351 HB VAL 52 HB VAL 52 -8.054 9.539 -3.825 352 HG11 VAL 52 1HG1 VAL 52 -6.724 9.351 -1.681 353 HG12 VAL 52 2HG1 VAL 52 -5.767 10.714 -2.264 354 HG13 VAL 52 3HG1 VAL 52 -7.497 10.907 -1.981 355 HG21 VAL 52 1HG2 VAL 52 -7.657 11.214 -5.226 356 HG22 VAL 52 2HG2 VAL 52 -6.391 11.816 -4.156 357 HG23 VAL 52 3HG2 VAL 52 -5.995 10.661 -5.429 358 H ILE 53 H ILE 53 -4.380 7.272 -2.901 359 HA ILE 53 HA ILE 53 -5.939 5.122 -1.931 360 HB ILE 53 HB ILE 53 -3.309 6.068 -0.796 361 HG12 ILE 53 1HG1 ILE 53 -3.556 5.623 -3.391 362 HG13 ILE 53 2HG1 ILE 53 -2.153 5.040 -2.502 363 HG21 ILE 53 1HG2 ILE 53 -3.835 4.407 0.634 364 HG22 ILE 53 2HG2 ILE 53 -4.992 3.674 -0.476 365 HG23 ILE 53 3HG2 ILE 53 -3.266 3.375 -0.678 366 HD11 ILE 53 1HD1 ILE 53 -3.516 3.498 -4.154 367 HD12 ILE 53 2HD1 ILE 53 -2.772 2.865 -2.685 368 HD13 ILE 53 3HD1 ILE 53 -4.496 3.240 -2.711 369 H LEU 54 H LEU 54 -7.472 5.261 -0.439 370 HA LEU 54 HA LEU 54 -7.453 7.398 1.520 371 HB2 LEU 54 1HB LEU 54 -9.413 5.242 0.800 372 HB3 LEU 54 2HB LEU 54 -9.631 6.257 2.224 373 HG LEU 54 HG LEU 54 -9.439 7.305 -0.598 374 HD11 LEU 54 1HD1 LEU 54 -11.720 6.296 0.995 375 HD12 LEU 54 2HD1 LEU 54 -11.467 6.305 -0.750 376 HD13 LEU 54 3HD1 LEU 54 -11.970 7.780 0.076 377 HD21 LEU 54 1HD2 LEU 54 -8.814 9.026 0.862 378 HD22 LEU 54 2HD2 LEU 54 -10.005 8.553 2.074 379 HD23 LEU 54 3HD2 LEU 54 -10.530 9.301 0.565 380 H ALA 55 H ALA 55 -7.339 3.854 1.490 381 HA ALA 55 HA ALA 55 -5.975 3.916 4.068 382 HB1 ALA 55 1HB ALA 55 -8.040 3.556 4.998 383 HB2 ALA 55 2HB ALA 55 -8.644 2.680 3.591 384 HB3 ALA 55 3HB ALA 55 -7.522 1.896 4.703 385 H ILE 56 H ILE 56 -4.450 2.359 4.275 386 HA ILE 56 HA ILE 56 -4.187 0.467 2.037 387 HB ILE 56 HB ILE 56 -2.082 1.539 3.918 388 HG12 ILE 56 1HG1 ILE 56 -2.302 1.898 0.929 389 HG13 ILE 56 2HG1 ILE 56 -2.985 3.045 2.077 390 HG21 ILE 56 1HG2 ILE 56 -1.680 -0.283 1.555 391 HG22 ILE 56 2HG2 ILE 56 -0.469 0.257 2.717 392 HG23 ILE 56 3HG2 ILE 56 -1.751 -0.842 3.226 393 HD11 ILE 56 1HD1 ILE 56 -1.022 4.024 2.350 394 HD12 ILE 56 2HD1 ILE 56 -0.241 2.485 2.717 395 HD13 ILE 56 3HD1 ILE 56 -0.403 3.015 1.043 396 H ASP 57 H ASP 57 -4.615 -1.590 2.440 397 HA ASP 57 HA ASP 57 -5.056 -3.531 3.550 398 HB2 ASP 57 1HB ASP 57 -2.493 -2.531 4.677 399 HB3 ASP 57 2HB ASP 57 -3.277 -3.861 5.526 400 H GLY 58 H GLY 58 -6.526 -1.224 4.425 401 HA2 GLY 58 1HA GLY 58 -8.206 -1.009 6.028 402 HA3 GLY 58 2HA GLY 58 -7.421 -2.258 6.983 403 H PHE 59 H PHE 59 -5.656 0.501 5.791 404 HA PHE 59 HA PHE 59 -5.735 1.723 8.461 405 HB2 PHE 59 1HB PHE 59 -3.278 1.014 6.858 406 HB3 PHE 59 2HB PHE 59 -3.250 2.187 8.171 407 HD1 PHE 59 2HD PHE 59 -3.838 1.440 10.484 408 HD2 PHE 59 1HD PHE 59 -3.231 -1.296 7.281 409 HE1 PHE 59 2HE PHE 59 -3.524 -0.383 12.106 410 HE2 PHE 59 1HE PHE 59 -2.917 -3.124 8.898 411 HZ PHE 59 HZ PHE 59 -3.063 -2.669 11.314 412 H GLY 60 H GLY 60 -6.802 3.564 7.996 413 HA2 GLY 60 1HA GLY 60 -6.740 4.972 5.586 414 HA3 GLY 60 2HA GLY 60 -7.206 5.653 7.138 415 H THR 61 H THR 61 -5.616 6.731 4.837 416 HA THR 61 HA THR 61 -2.949 7.058 5.907 417 HB THR 61 HB THR 61 -2.477 8.383 3.952 418 HG1 THR 61 1HG THR 61 -4.468 8.549 2.453 419 HG21 THR 61 1HG2 THR 61 -3.578 6.765 2.161 420 HG22 THR 61 2HG2 THR 61 -3.982 5.840 3.608 421 HG23 THR 61 3HG2 THR 61 -2.298 6.215 3.242 422 H GLU 62 H GLU 62 -5.077 7.991 7.594 423 HA GLU 62 HA GLU 62 -5.306 10.825 7.416 424 HB2 GLU 62 1HB GLU 62 -6.413 10.712 9.535 425 HB3 GLU 62 2HB GLU 62 -6.934 9.326 8.588 426 HG2 GLU 62 1HG GLU 62 -5.371 7.901 9.808 427 HG3 GLU 62 2HG GLU 62 -4.850 9.291 10.760 428 H SER 63 H SER 63 -3.251 8.626 9.272 429 HA SER 63 HA SER 63 -1.506 10.911 9.894 430 HB2 SER 63 1HB SER 63 -2.986 9.878 11.834 431 HB3 SER 63 2HB SER 63 -1.708 8.662 11.852 432 HG SER 63 HG SER 63 -0.473 10.049 12.815 433 H MET 64 H MET 64 -1.473 8.774 7.820 434 HA MET 64 HA MET 64 1.042 7.435 8.561 435 HB2 MET 64 1HB MET 64 -0.352 5.691 7.993 436 HB3 MET 64 2HB MET 64 -1.249 6.648 6.822 437 HG2 MET 64 1HG MET 64 0.749 6.569 5.336 438 HG3 MET 64 2HG MET 64 1.486 5.449 6.480 439 HE1 MET 64 1HE MET 64 -1.788 4.525 7.126 440 HE2 MET 64 2HE MET 64 -1.871 2.971 6.298 441 HE3 MET 64 3HE MET 64 -0.516 3.328 7.370 442 H THR 65 H THR 65 2.744 8.525 7.829 443 HA THR 65 HA THR 65 2.596 10.265 5.551 444 HB THR 65 HB THR 65 4.863 10.845 5.997 445 HG1 THR 65 1HG THR 65 5.791 8.814 6.273 446 HG21 THR 65 1HG2 THR 65 4.736 11.629 8.205 447 HG22 THR 65 2HG2 THR 65 3.793 10.237 8.739 448 HG23 THR 65 3HG2 THR 65 3.053 11.462 7.708 449 H HIS 66 H HIS 66 4.092 10.116 3.716 450 HA HIS 66 HA HIS 66 3.789 7.913 2.161 451 HB2 HIS 66 1HB HIS 66 4.940 10.254 1.714 452 HB3 HIS 66 2HB HIS 66 6.415 9.326 1.972 453 HD1 HIS 66 1HD HIS 66 3.266 8.355 0.071 454 HD2 HIS 66 2HD HIS 66 7.342 8.883 -0.533 455 HE1 HIS 66 1HE HIS 66 3.692 7.643 -2.304 456 HE2 HIS 66 2HE HIS 66 6.178 7.891 -2.619 457 H ALA 67 H ALA 67 6.716 8.582 4.090 458 HA ALA 67 HA ALA 67 8.100 6.250 3.584 459 HB1 ALA 67 1HB ALA 67 8.233 7.240 6.363 460 HB2 ALA 67 2HB ALA 67 9.526 6.920 5.206 461 HB3 ALA 67 3HB ALA 67 8.591 8.411 5.093 462 H ASP 68 H ASP 68 5.565 6.834 5.977 463 HA ASP 68 HA ASP 68 5.751 4.350 7.296 464 HB2 ASP 68 1HB ASP 68 3.727 6.524 7.121 465 HB3 ASP 68 2HB ASP 68 3.182 4.958 7.714 466 H ALA 69 H ALA 69 3.724 5.443 4.596 467 HA ALA 69 HA ALA 69 2.185 3.149 4.267 468 HB1 ALA 69 1HB ALA 69 2.047 3.905 1.843 469 HB2 ALA 69 2HB ALA 69 1.531 5.062 3.070 470 HB3 ALA 69 3HB ALA 69 3.113 5.230 2.310 471 H GLN 70 H GLN 70 5.464 3.846 3.250 472 HA GLN 70 HA GLN 70 5.797 1.754 1.408 473 HB2 GLN 70 1HB GLN 70 7.939 2.877 3.215 474 HB3 GLN 70 2HB GLN 70 8.160 2.110 1.647 475 HG2 GLN 70 1HG GLN 70 6.448 4.524 1.759 476 HG3 GLN 70 2HG GLN 70 8.185 4.739 1.966 477 HE21 GLN 70 1HE2 GLN 70 7.661 5.997 -0.073 478 HE22 GLN 70 2HE2 GLN 70 7.834 5.143 -1.565 479 H ASP 71 H ASP 71 6.084 1.864 4.910 480 HA ASP 71 HA ASP 71 7.158 -0.791 5.127 481 HB2 ASP 71 1HB ASP 71 7.268 1.279 6.790 482 HB3 ASP 71 2HB ASP 71 5.809 0.532 7.435 483 H ARG 72 H ARG 72 4.093 0.460 4.539 484 HA ARG 72 HA ARG 72 2.683 -1.769 5.790 485 HB2 ARG 72 1HB ARG 72 1.872 0.841 4.589 486 HB3 ARG 72 2HB ARG 72 0.697 -0.467 4.614 487 HG2 ARG 72 1HG ARG 72 2.134 0.181 7.132 488 HG3 ARG 72 2HG ARG 72 0.865 1.275 6.576 489 HD2 ARG 72 1HD ARG 72 -0.672 -0.668 6.432 490 HD3 ARG 72 2HD ARG 72 0.597 -1.678 7.122 491 HE ARG 72 HE ARG 72 -1.064 0.225 8.514 492 HH11 ARG 72 2HH1 ARG 72 1.892 -1.613 8.559 493 HH12 ARG 72 1HH1 ARG 72 2.052 -1.560 10.283 494 HH21 ARG 72 2HH2 ARG 72 -0.864 0.303 10.785 495 HH22 ARG 72 1HH2 ARG 72 0.484 -0.471 11.548 496 H ILE 73 H ILE 73 3.412 -0.448 2.601 497 HA ILE 73 HA ILE 73 1.869 -2.366 1.160 498 HB ILE 73 HB ILE 73 4.094 -0.527 0.284 499 HG12 ILE 73 1HG1 ILE 73 1.142 -0.424 -0.347 500 HG13 ILE 73 2HG1 ILE 73 1.865 0.432 1.011 501 HG21 ILE 73 1HG2 ILE 73 2.296 -2.182 -1.480 502 HG22 ILE 73 2HG2 ILE 73 3.590 -1.100 -1.993 503 HG23 ILE 73 3HG2 ILE 73 3.974 -2.578 -1.111 504 HD11 ILE 73 1HD1 ILE 73 3.414 1.131 -1.192 505 HD12 ILE 73 2HD1 ILE 73 1.745 1.165 -1.762 506 HD13 ILE 73 3HD1 ILE 73 2.218 2.127 -0.362 507 H LYS 74 H LYS 74 5.210 -2.171 2.228 508 HA LYS 74 HA LYS 74 6.019 -4.521 0.766 509 HB2 LYS 74 1HB LYS 74 8.171 -4.174 1.676 510 HB3 LYS 74 2HB LYS 74 7.524 -2.564 1.383 511 HG2 LYS 74 1HG LYS 74 7.155 -2.175 3.663 512 HG3 LYS 74 2HG LYS 74 7.318 -3.885 4.068 513 HD2 LYS 74 1HD LYS 74 9.339 -2.934 4.765 514 HD3 LYS 74 2HD LYS 74 9.722 -3.665 3.205 515 HE2 LYS 74 1HE LYS 74 9.316 -1.417 2.165 516 HE3 LYS 74 2HE LYS 74 9.199 -0.756 3.795 517 HZ1 LYS 74 1HZ LYS 74 11.416 -0.470 2.909 518 HZ2 LYS 74 2HZ LYS 74 11.564 -2.134 2.643 519 HZ3 LYS 74 3HZ LYS 74 11.455 -1.537 4.222 520 H ALA 75 H ALA 75 5.046 -3.729 4.049 521 HA ALA 75 HA ALA 75 5.524 -6.468 4.934 522 HB1 ALA 75 1HB ALA 75 6.161 -4.549 6.375 523 HB2 ALA 75 2HB ALA 75 4.451 -4.144 6.525 524 HB3 ALA 75 3HB ALA 75 5.052 -5.679 7.152 525 H ALA 76 H ALA 76 3.231 -5.173 3.149 526 HA ALA 76 HA ALA 76 0.779 -5.544 4.371 527 HB1 ALA 76 1HB ALA 76 1.631 -5.927 1.514 528 HB2 ALA 76 2HB ALA 76 -0.048 -6.071 2.034 529 HB3 ALA 76 3HB ALA 76 0.809 -4.544 2.237 530 H SER 77 H SER 77 -0.776 -7.381 3.385 531 HA SER 77 HA SER 77 0.423 -9.909 4.275 532 HB2 SER 77 1HB SER 77 -1.741 -8.808 5.303 533 HB3 SER 77 2HB SER 77 -2.528 -9.557 3.913 534 HG SER 77 HG SER 77 -2.183 -11.486 4.738 535 H TYR 78 H TYR 78 -0.906 -11.856 3.247 536 HA TYR 78 HA TYR 78 -0.033 -12.270 0.703 537 HB2 TYR 78 1HB TYR 78 -2.074 -13.884 0.540 538 HB3 TYR 78 2HB TYR 78 -0.835 -14.180 1.755 539 HD1 TYR 78 2HD TYR 78 -4.264 -12.951 1.200 540 HD2 TYR 78 1HD TYR 78 -1.327 -14.006 4.092 541 HE1 TYR 78 2HE TYR 78 -5.986 -12.909 2.955 542 HE2 TYR 78 1HE TYR 78 -3.042 -13.969 5.855 543 HH TYR 78 HH TYR 78 -5.252 -12.923 6.252 544 H GLN 79 H GLN 79 -2.813 -10.444 1.692 545 HA GLN 79 HA GLN 79 -3.325 -9.777 -1.123 546 HB2 GLN 79 1HB GLN 79 -5.746 -9.697 -0.647 547 HB3 GLN 79 2HB GLN 79 -5.078 -11.312 -0.449 548 HG2 GLN 79 1HG GLN 79 -5.061 -11.051 1.952 549 HG3 GLN 79 2HG GLN 79 -5.627 -9.388 1.798 550 HE21 GLN 79 1HE2 GLN 79 -7.583 -9.448 2.699 551 HE22 GLN 79 2HE2 GLN 79 -8.869 -10.496 2.217 552 H LEU 80 H LEU 80 -3.497 -7.655 -1.540 553 HA LEU 80 HA LEU 80 -3.311 -5.818 0.733 554 HB2 LEU 80 1HB LEU 80 -1.572 -5.628 -0.941 555 HB3 LEU 80 2HB LEU 80 -2.780 -5.415 -2.207 556 HG LEU 80 HG LEU 80 -3.454 -3.306 -0.830 557 HD11 LEU 80 1HD1 LEU 80 -1.123 -4.239 0.587 558 HD12 LEU 80 2HD1 LEU 80 -2.247 -2.943 0.997 559 HD13 LEU 80 3HD1 LEU 80 -0.870 -2.616 -0.056 560 HD21 LEU 80 1HD2 LEU 80 -1.281 -2.199 -1.964 561 HD22 LEU 80 2HD2 LEU 80 -2.705 -2.707 -2.873 562 HD23 LEU 80 3HD2 LEU 80 -1.292 -3.760 -2.785 563 H CYS 81 H CYS 81 -4.989 -4.626 1.337 564 HA CYS 81 HA CYS 81 -7.230 -4.313 -0.549 565 HB2 CYS 81 1HB CYS 81 -7.122 -4.818 2.386 566 HB3 CYS 81 2HB CYS 81 -8.437 -3.821 1.775 567 HG CYS 81 HG CYS 81 -9.868 -5.716 0.741 568 H LEU 82 H LEU 82 -6.948 -2.362 -1.466 569 HA LEU 82 HA LEU 82 -6.436 -0.069 0.310 570 HB2 LEU 82 1HB LEU 82 -6.002 -0.180 -2.667 571 HB3 LEU 82 2HB LEU 82 -5.482 1.084 -1.554 572 HG LEU 82 HG LEU 82 -4.406 -1.735 -1.617 573 HD11 LEU 82 1HD1 LEU 82 -3.336 0.858 -2.704 574 HD12 LEU 82 2HD1 LEU 82 -3.663 -0.637 -3.581 575 HD13 LEU 82 3HD1 LEU 82 -2.333 -0.566 -2.425 576 HD21 LEU 82 1HD2 LEU 82 -3.770 0.679 0.054 577 HD22 LEU 82 2HD2 LEU 82 -2.620 -0.638 -0.173 578 HD23 LEU 82 3HD2 LEU 82 -4.181 -0.951 0.587 579 H LYS 83 H LYS 83 -7.882 1.550 0.412 580 HA LYS 83 HA LYS 83 -10.332 1.261 -1.171 581 HB2 LYS 83 1HB LYS 83 -10.299 1.412 1.404 582 HB3 LYS 83 2HB LYS 83 -9.970 3.123 1.164 583 HG2 LYS 83 1HG LYS 83 -12.047 3.452 0.058 584 HG3 LYS 83 2HG LYS 83 -12.345 1.714 -0.026 585 HD2 LYS 83 1HD LYS 83 -13.635 2.226 1.786 586 HD3 LYS 83 2HD LYS 83 -12.101 1.920 2.605 587 HE2 LYS 83 1HE LYS 83 -12.628 3.928 3.545 588 HE3 LYS 83 2HE LYS 83 -11.754 4.501 2.125 589 HZ1 LYS 83 1HZ LYS 83 -14.233 5.281 2.823 590 HZ2 LYS 83 2HZ LYS 83 -14.572 4.074 1.688 591 HZ3 LYS 83 3HZ LYS 83 -13.597 5.388 1.259 592 H ILE 84 H ILE 84 -10.689 2.564 -2.834 593 HA ILE 84 HA ILE 84 -9.132 5.048 -3.038 594 HB ILE 84 HB ILE 84 -9.772 4.979 -5.461 595 HG12 ILE 84 1HG1 ILE 84 -10.498 2.098 -5.038 596 HG13 ILE 84 2HG1 ILE 84 -11.730 3.346 -4.887 597 HG21 ILE 84 1HG2 ILE 84 -7.990 3.117 -4.055 598 HG22 ILE 84 2HG2 ILE 84 -8.356 2.684 -5.724 599 HG23 ILE 84 3HG2 ILE 84 -7.646 4.256 -5.357 600 HD11 ILE 84 1HD1 ILE 84 -11.848 2.516 -7.092 601 HD12 ILE 84 2HD1 ILE 84 -11.085 4.103 -7.192 602 HD13 ILE 84 3HD1 ILE 84 -10.103 2.644 -7.309 603 H ASP 85 H ASP 85 -10.138 6.985 -3.705 604 HA ASP 85 HA ASP 85 -12.772 7.349 -2.642 605 HB2 ASP 85 1HB ASP 85 -11.335 9.176 -2.301 606 HB3 ASP 85 2HB ASP 85 -10.776 9.164 -3.971 607 H ARG 86 H ARG 86 -11.443 6.734 -5.765 608 HA ARG 86 HA ARG 86 -12.412 6.343 -7.788 609 HB2 ARG 86 1HB ARG 86 -14.189 5.319 -6.111 610 HB3 ARG 86 2HB ARG 86 -15.164 6.667 -6.682 611 HG2 ARG 86 1HG ARG 86 -15.262 5.853 -8.843 612 HG3 ARG 86 2HG ARG 86 -13.822 4.853 -8.639 613 HD2 ARG 86 1HD ARG 86 -15.224 3.570 -6.903 614 HD3 ARG 86 2HD ARG 86 -16.609 4.373 -7.641 615 HE ARG 86 HE ARG 86 -14.872 3.016 -9.502 616 HH11 ARG 86 2HH1 ARG 86 -17.652 2.760 -7.423 617 HH12 ARG 86 1HH1 ARG 86 -18.334 1.418 -8.281 618 HH21 ARG 86 2HH2 ARG 86 -15.759 1.250 -10.641 619 HH22 ARG 86 1HH2 ARG 86 -17.255 0.559 -10.111 620 H ALA 87 H ALA 87 -11.631 8.928 -7.218 621 HA ALA 87 HA ALA 87 -13.716 10.790 -7.895 622 HB1 ALA 87 1HB ALA 87 -12.205 11.911 -6.638 623 HB2 ALA 87 2HB ALA 87 -10.844 10.950 -7.216 624 HB3 ALA 87 3HB ALA 87 -11.495 12.248 -8.217 625 H GLU 88 H GLU 88 -14.506 10.933 -9.885 626 HA GLU 88 HA GLU 88 -13.150 9.943 -12.182 627 HB2 GLU 88 1HB GLU 88 -15.052 10.841 -13.442 628 HB3 GLU 88 2HB GLU 88 -15.587 9.931 -12.037 629 HG2 GLU 88 1HG GLU 88 -16.030 11.968 -10.829 630 HG3 GLU 88 2HG GLU 88 -15.378 12.930 -12.155 631 H THR 89 H THR 89 -13.573 13.122 -10.761 632 HA THR 89 HA THR 89 -11.709 14.198 -12.773 633 HB THR 89 HB THR 89 -14.035 15.046 -13.117 634 HG1 THR 89 1HG THR 89 -13.218 17.393 -12.791 635 HG21 THR 89 1HG2 THR 89 -13.580 16.162 -10.354 636 HG22 THR 89 2HG2 THR 89 -14.903 15.135 -10.905 637 HG23 THR 89 3HG2 THR 89 -14.790 16.803 -11.465 638 H ARG 90 H ARG 90 -12.371 13.626 -9.526 639 HA ARG 90 HA ARG 90 -11.284 14.138 -7.595 640 HB2 ARG 90 1HB ARG 90 -9.204 15.269 -9.477 641 HB3 ARG 90 2HB ARG 90 -8.970 14.995 -7.756 642 HG2 ARG 90 1HG ARG 90 -7.967 13.163 -8.800 643 HG3 ARG 90 2HG ARG 90 -9.524 12.558 -8.233 644 HD2 ARG 90 1HD ARG 90 -10.445 12.589 -10.392 645 HD3 ARG 90 2HD ARG 90 -9.163 13.626 -11.014 646 HE ARG 90 HE ARG 90 -9.118 10.773 -10.796 647 HH11 ARG 90 2HH1 ARG 90 -7.146 13.643 -10.815 648 HH12 ARG 90 1HH1 ARG 90 -5.723 12.819 -11.361 649 HH21 ARG 90 2HH2 ARG 90 -7.251 9.678 -11.515 650 HH22 ARG 90 1HH2 ARG 90 -5.784 10.564 -11.760 651 H LEU 91 H LEU 91 -13.280 15.871 -8.362 652 HA LEU 91 HA LEU 91 -12.680 18.572 -8.512 653 HB2 LEU 91 1HB LEU 91 -14.894 18.965 -8.098 654 HB3 LEU 91 2HB LEU 91 -14.945 17.276 -8.599 655 HG LEU 91 HG LEU 91 -14.831 18.049 -5.700 656 HD11 LEU 91 1HD1 LEU 91 -16.980 18.552 -7.534 657 HD12 LEU 91 2HD1 LEU 91 -16.868 18.916 -5.813 658 HD13 LEU 91 3HD1 LEU 91 -17.462 17.343 -6.344 659 HD21 LEU 91 1HD2 LEU 91 -16.188 15.659 -6.863 660 HD22 LEU 91 2HD2 LEU 91 -15.449 15.873 -5.276 661 HD23 LEU 91 3HD2 LEU 91 -14.431 15.672 -6.702 662 H TRP 92 H TRP 92 -13.131 20.213 -6.756 663 HA TRP 92 HA TRP 92 -11.234 20.045 -4.747 664 HB2 TRP 92 1HB TRP 92 -12.668 22.064 -5.682 665 HB3 TRP 92 2HB TRP 92 -13.673 21.706 -4.280 666 HD1 TRP 92 HD TRP 92 -11.462 21.090 -2.131 667 HE1 TRP 92 1HE TRP 92 -9.936 22.974 -1.268 668 HE3 TRP 92 3HE TRP 92 -11.959 24.379 -6.013 669 HZ2 TRP 92 2HZ TRP 92 -9.059 25.518 -2.120 670 HZ3 TRP 92 3HZ TRP 92 -10.744 26.516 -5.911 671 HH2 TRP 92 HH TRP 92 -9.324 27.072 -4.004 672 H SER 93 H SER 93 -11.443 18.033 -3.703 673 HA SER 93 HA SER 93 -13.438 18.044 -1.564 674 HB2 SER 93 1HB SER 93 -13.034 15.843 -3.577 675 HB3 SER 93 2HB SER 93 -13.659 15.496 -1.966 676 HG SER 93 HG SER 93 -15.451 16.648 -2.394 677 HA PRO 94 HA PRO 94 -10.061 16.842 0.972 678 HB2 PRO 94 1HB PRO 94 -11.361 15.470 2.922 679 HB3 PRO 94 2HB PRO 94 -11.441 17.230 2.768 680 HG2 PRO 94 1HG PRO 94 -13.408 15.158 1.872 681 HG3 PRO 94 2HG PRO 94 -13.706 16.711 2.676 682 HD2 PRO 94 1HD PRO 94 -14.017 16.368 0.008 683 HD3 PRO 94 2HD PRO 94 -13.492 17.908 0.718 684 H GLN 95 H GLN 95 -9.447 14.718 2.359 685 HA GLN 95 HA GLN 95 -9.204 12.612 0.360 686 HB2 GLN 95 1HB GLN 95 -7.503 11.673 1.887 687 HB3 GLN 95 2HB GLN 95 -7.157 13.338 1.440 688 HG2 GLN 95 1HG GLN 95 -6.772 13.530 3.647 689 HG3 GLN 95 2HG GLN 95 -8.516 13.783 3.692 690 HE21 GLN 95 1HE2 GLN 95 -6.372 10.959 3.473 691 HE22 GLN 95 2HE2 GLN 95 -7.109 10.086 4.769 692 H VAL 96 H VAL 96 -11.738 12.604 1.104 693 HA VAL 96 HA VAL 96 -12.004 10.079 2.496 694 HB VAL 96 HB VAL 96 -12.116 11.605 4.377 695 HG11 VAL 96 1HG1 VAL 96 -13.503 13.267 2.517 696 HG12 VAL 96 2HG1 VAL 96 -14.524 13.008 3.934 697 HG13 VAL 96 3HG1 VAL 96 -12.898 13.666 4.125 698 HG21 VAL 96 1HG2 VAL 96 -14.585 11.163 5.025 699 HG22 VAL 96 2HG2 VAL 96 -14.654 10.284 3.497 700 HG23 VAL 96 3HG2 VAL 96 -13.512 9.790 4.748 701 H SER 97 H SER 97 -13.366 8.904 1.336 702 HA SER 97 HA SER 97 -14.977 10.021 -0.721 703 HB2 SER 97 1HB SER 97 -15.836 7.674 -0.960 704 HB3 SER 97 2HB SER 97 -14.078 7.803 -1.013 705 HG SER 97 HG SER 97 -15.152 6.126 0.406 706 H SER 98 H SER 98 -15.753 8.509 2.401 707 HA SER 98 HA SER 98 -18.495 9.542 2.152 708 HB2 SER 98 1HB SER 98 -18.441 7.150 2.501 709 HB3 SER 98 2HB SER 98 -17.364 7.333 3.885 710 HG SER 98 HG SER 98 -19.791 8.700 3.957 711 H GLY 99 H GLY 99 -19.239 11.062 3.512 712 HA2 GLY 99 1HA GLY 99 -18.682 11.536 6.129 713 HA3 GLY 99 2HA GLY 99 -17.368 12.347 5.290 714 HA PRO 100 HA PRO 100 -20.787 15.409 5.713 715 HB2 PRO 100 1HB PRO 100 -19.144 17.488 6.305 716 HB3 PRO 100 2HB PRO 100 -19.749 16.364 7.527 717 HG2 PRO 100 1HG PRO 100 -17.093 16.413 6.147 718 HG3 PRO 100 2HG PRO 100 -17.459 16.130 7.859 719 HD2 PRO 100 1HD PRO 100 -16.921 14.115 6.132 720 HD3 PRO 100 2HD PRO 100 -18.035 13.927 7.502 721 H SER 101 H SER 101 -21.535 16.227 3.870 722 HA SER 101 HA SER 101 -19.602 17.224 1.881 723 HB2 SER 101 1HB SER 101 -22.216 15.776 1.577 724 HB3 SER 101 2HB SER 101 -21.613 16.805 0.278 725 HG SER 101 HG SER 101 -20.957 14.581 0.112 726 H SER 102 H SER 102 -19.587 19.324 2.774 727 HA SER 102 HA SER 102 -21.675 20.923 3.501 728 HB2 SER 102 1HB SER 102 -20.282 22.856 2.767 729 HB3 SER 102 2HB SER 102 -19.375 21.671 3.706 730 HG SER 102 HG SER 102 -18.101 21.486 2.061 731 H GLY 103 H GLY 103 -20.406 20.534 0.196 732 HA2 GLY 103 1HA GLY 103 -22.577 22.113 -0.901 733 HA3 GLY 103 2HA GLY 103 -21.274 21.356 -1.805 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -30.743 6.634 -0.860 2 HA2 GLY 1 1HA GLY 1 -29.773 8.744 0.491 3 HA3 GLY 1 2HA GLY 1 -30.366 7.730 1.799 4 H SER 2 H SER 2 -27.995 8.058 -0.738 5 HA SER 2 HA SER 2 -26.675 5.574 0.000 6 HB2 SER 2 1HB SER 2 -26.255 7.623 -2.156 7 HB3 SER 2 2HB SER 2 -24.987 6.457 -1.779 8 HG SER 2 HG SER 2 -27.012 4.955 -1.961 9 H SER 3 H SER 3 -24.551 5.452 0.803 10 HA SER 3 HA SER 3 -23.901 7.506 2.692 11 HB2 SER 3 1HB SER 3 -22.297 5.056 1.925 12 HB3 SER 3 2HB SER 3 -22.084 6.036 3.375 13 HG SER 3 HG SER 3 -23.852 5.186 4.236 14 H GLY 4 H GLY 4 -22.122 6.093 -0.064 15 HA2 GLY 4 1HA GLY 4 -21.258 8.573 -1.081 16 HA3 GLY 4 2HA GLY 4 -20.000 7.923 -0.040 17 H SER 5 H SER 5 -18.546 7.646 -1.736 18 HA SER 5 HA SER 5 -19.181 5.382 -3.505 19 HB2 SER 5 1HB SER 5 -17.728 7.924 -4.278 20 HB3 SER 5 2HB SER 5 -17.853 6.490 -5.298 21 HG SER 5 HG SER 5 -19.902 6.925 -5.691 22 H SER 6 H SER 6 -18.055 3.976 -2.143 23 HA SER 6 HA SER 6 -15.205 4.505 -1.723 24 HB2 SER 6 1HB SER 6 -15.317 2.530 -0.195 25 HB3 SER 6 2HB SER 6 -16.410 3.834 0.268 26 HG SER 6 HG SER 6 -17.039 1.336 -0.159 27 H GLY 7 H GLY 7 -13.761 3.671 -3.068 28 HA2 GLY 7 1HA GLY 7 -14.572 1.451 -4.811 29 HA3 GLY 7 2HA GLY 7 -13.227 2.545 -5.099 30 H ASN 8 H ASN 8 -14.232 -0.424 -3.716 31 HA ASN 8 HA ASN 8 -11.907 -0.858 -2.099 32 HB2 ASN 8 1HB ASN 8 -12.871 -2.866 -1.500 33 HB3 ASN 8 2HB ASN 8 -14.302 -1.963 -1.990 34 HD21 ASN 8 1HD2 ASN 8 -14.250 -2.077 -4.670 35 HD22 ASN 8 2HD2 ASN 8 -14.365 -3.713 -5.215 36 H VAL 9 H VAL 9 -10.083 -2.026 -2.553 37 HA VAL 9 HA VAL 9 -9.803 -3.215 -5.213 38 HB VAL 9 HB VAL 9 -7.867 -1.185 -4.089 39 HG11 VAL 9 1HG1 VAL 9 -7.206 -3.343 -5.598 40 HG12 VAL 9 2HG1 VAL 9 -7.536 -2.139 -6.845 41 HG13 VAL 9 3HG1 VAL 9 -6.328 -1.814 -5.601 42 HG21 VAL 9 1HG2 VAL 9 -9.393 -0.995 -6.668 43 HG22 VAL 9 2HG2 VAL 9 -10.046 -0.379 -5.150 44 HG23 VAL 9 3HG2 VAL 9 -8.542 0.279 -5.794 45 H VAL 10 H VAL 10 -9.273 -5.253 -4.787 46 HA VAL 10 HA VAL 10 -7.316 -5.777 -2.644 47 HB VAL 10 HB VAL 10 -9.189 -7.873 -3.693 48 HG11 VAL 10 1HG1 VAL 10 -8.833 -8.855 -1.489 49 HG12 VAL 10 2HG1 VAL 10 -7.295 -8.564 -2.304 50 HG13 VAL 10 3HG1 VAL 10 -7.836 -7.476 -1.025 51 HG21 VAL 10 1HG2 VAL 10 -9.830 -6.103 -1.345 52 HG22 VAL 10 2HG2 VAL 10 -10.472 -5.821 -2.964 53 HG23 VAL 10 3HG2 VAL 10 -10.860 -7.314 -2.110 54 H LEU 11 H LEU 11 -5.414 -5.835 -3.732 55 HA LEU 11 HA LEU 11 -5.193 -7.234 -6.261 56 HB2 LEU 11 1HB LEU 11 -2.897 -6.132 -4.681 57 HB3 LEU 11 2HB LEU 11 -3.035 -6.350 -6.425 58 HG LEU 11 HG LEU 11 -4.527 -4.286 -4.806 59 HD11 LEU 11 1HD1 LEU 11 -3.000 -2.686 -5.535 60 HD12 LEU 11 2HD1 LEU 11 -2.331 -3.749 -6.774 61 HD13 LEU 11 3HD1 LEU 11 -1.985 -4.052 -5.071 62 HD21 LEU 11 1HD2 LEU 11 -4.812 -3.370 -7.218 63 HD22 LEU 11 2HD2 LEU 11 -5.869 -4.662 -6.649 64 HD23 LEU 11 3HD2 LEU 11 -4.502 -5.039 -7.699 65 HA PRO 12 HA PRO 12 -4.073 -11.109 -4.463 66 HB2 PRO 12 1HB PRO 12 -3.011 -12.252 -6.685 67 HB3 PRO 12 2HB PRO 12 -4.750 -12.043 -6.449 68 HG2 PRO 12 1HG PRO 12 -2.840 -10.373 -8.037 69 HG3 PRO 12 2HG PRO 12 -4.475 -10.912 -8.462 70 HD2 PRO 12 1HD PRO 12 -3.955 -8.416 -7.550 71 HD3 PRO 12 2HD PRO 12 -5.481 -9.257 -7.212 72 H GLY 13 H GLY 13 -2.376 -11.494 -3.192 73 HA2 GLY 13 1HA GLY 13 0.306 -10.745 -4.185 74 HA3 GLY 13 2HA GLY 13 -0.175 -10.591 -2.502 75 HA PRO 14 HA PRO 14 1.329 -10.887 -1.263 76 HB2 PRO 14 1HB PRO 14 3.929 -11.556 -0.863 77 HB3 PRO 14 2HB PRO 14 2.613 -12.172 0.143 78 HG2 PRO 14 1HG PRO 14 4.027 -13.492 -2.141 79 HG3 PRO 14 2HG PRO 14 3.543 -14.177 -0.579 80 HD2 PRO 14 1HD PRO 14 2.125 -14.581 -2.850 81 HD3 PRO 14 2HD PRO 14 1.360 -14.488 -1.250 82 H ALA 15 H ALA 15 3.285 -9.362 -1.535 83 HA ALA 15 HA ALA 15 3.297 -8.221 -4.019 84 HB1 ALA 15 1HB ALA 15 5.841 -7.664 -3.040 85 HB2 ALA 15 2HB ALA 15 4.372 -6.724 -2.776 86 HB3 ALA 15 3HB ALA 15 4.856 -7.950 -1.605 87 HA PRO 16 HA PRO 16 5.367 -6.861 -4.814 88 HB2 PRO 16 1HB PRO 16 5.638 -6.445 -7.483 89 HB3 PRO 16 2HB PRO 16 7.015 -6.710 -6.408 90 HG2 PRO 16 1HG PRO 16 5.625 -8.647 -8.218 91 HG3 PRO 16 2HG PRO 16 7.362 -8.424 -7.941 92 HD2 PRO 16 1HD PRO 16 5.944 -10.414 -6.774 93 HD3 PRO 16 2HD PRO 16 7.334 -9.642 -5.984 94 H TRP 17 H TRP 17 3.971 -5.293 -6.113 95 HA TRP 17 HA TRP 17 1.372 -6.573 -6.631 96 HB2 TRP 17 1HB TRP 17 1.931 -3.703 -5.853 97 HB3 TRP 17 2HB TRP 17 0.345 -4.448 -6.026 98 HD1 TRP 17 HD TRP 17 2.714 -3.537 -3.432 99 HE1 TRP 17 1HE TRP 17 2.264 -4.821 -1.247 100 HE3 TRP 17 3HE TRP 17 -0.396 -7.165 -5.249 101 HZ2 TRP 17 2HZ TRP 17 0.786 -7.074 -0.405 102 HZ3 TRP 17 3HZ TRP 17 -1.285 -8.847 -3.688 103 HH2 TRP 17 HH TRP 17 -0.704 -8.801 -1.317 104 H GLY 18 H GLY 18 3.315 -3.766 -7.679 105 HA2 GLY 18 1HA GLY 18 3.854 -3.495 -10.026 106 HA3 GLY 18 2HA GLY 18 2.310 -4.240 -10.411 107 H PHE 19 H PHE 19 2.902 -1.721 -8.009 108 HA PHE 19 HA PHE 19 1.746 0.310 -9.734 109 HB2 PHE 19 1HB PHE 19 -0.196 0.703 -8.557 110 HB3 PHE 19 2HB PHE 19 -0.073 -1.045 -8.382 111 HD1 PHE 19 2HD PHE 19 0.524 -2.046 -6.259 112 HD2 PHE 19 1HD PHE 19 0.186 2.176 -6.687 113 HE1 PHE 19 2HE PHE 19 0.476 -1.804 -3.811 114 HE2 PHE 19 1HE PHE 19 0.138 2.424 -4.240 115 HZ PHE 19 HZ PHE 19 0.281 0.432 -2.798 116 H ARG 20 H ARG 20 2.357 2.364 -9.196 117 HA ARG 20 HA ARG 20 4.302 2.579 -7.014 118 HB2 ARG 20 1HB ARG 20 3.796 4.576 -9.220 119 HB3 ARG 20 2HB ARG 20 5.188 4.492 -8.148 120 HG2 ARG 20 1HG ARG 20 4.459 2.573 -10.346 121 HG3 ARG 20 2HG ARG 20 5.838 3.673 -10.289 122 HD2 ARG 20 1HD ARG 20 6.875 2.430 -8.561 123 HD3 ARG 20 2HD ARG 20 5.412 1.493 -8.262 124 HE ARG 20 HE ARG 20 6.458 1.180 -10.920 125 HH11 ARG 20 2HH1 ARG 20 6.630 0.065 -7.626 126 HH12 ARG 20 1HH1 ARG 20 7.255 -1.495 -8.050 127 HH21 ARG 20 2HH2 ARG 20 7.280 -0.870 -11.490 128 HH22 ARG 20 1HH2 ARG 20 7.625 -2.025 -10.248 129 H LEU 21 H LEU 21 4.382 4.933 -6.093 130 HA LEU 21 HA LEU 21 1.744 6.101 -5.732 131 HB2 LEU 21 1HB LEU 21 2.269 6.089 -3.180 132 HB3 LEU 21 2HB LEU 21 1.506 4.696 -3.942 133 HG LEU 21 HG LEU 21 3.566 3.470 -3.908 134 HD11 LEU 21 1HD1 LEU 21 5.120 5.248 -4.410 135 HD12 LEU 21 2HD1 LEU 21 5.613 4.429 -2.929 136 HD13 LEU 21 3HD1 LEU 21 4.814 5.999 -2.843 137 HD21 LEU 21 1HD2 LEU 21 3.203 4.842 -1.248 138 HD22 LEU 21 2HD2 LEU 21 3.921 3.256 -1.531 139 HD23 LEU 21 3HD2 LEU 21 2.204 3.517 -1.846 140 H SER 22 H SER 22 1.815 8.170 -4.612 141 HA SER 22 HA SER 22 4.406 9.387 -4.180 142 HB2 SER 22 1HB SER 22 4.307 9.782 -6.521 143 HB3 SER 22 2HB SER 22 2.599 10.214 -6.452 144 HG SER 22 HG SER 22 4.045 12.032 -6.615 145 H GLY 23 H GLY 23 4.223 11.592 -3.309 146 HA2 GLY 23 1HA GLY 23 3.053 13.319 -2.227 147 HA3 GLY 23 2HA GLY 23 1.577 12.376 -2.365 148 H GLY 24 H GLY 24 1.155 12.898 -0.145 149 HA2 GLY 24 1HA GLY 24 1.342 11.045 1.719 150 HA3 GLY 24 2HA GLY 24 2.961 11.718 1.831 151 H ILE 25 H ILE 25 0.593 11.667 3.701 152 HA ILE 25 HA ILE 25 -0.575 14.157 4.008 153 HB ILE 25 HB ILE 25 -0.935 13.605 6.334 154 HG12 ILE 25 1HG1 ILE 25 0.925 11.254 5.974 155 HG13 ILE 25 2HG1 ILE 25 1.435 12.778 6.693 156 HG21 ILE 25 1HG2 ILE 25 -1.106 10.923 5.069 157 HG22 ILE 25 2HG2 ILE 25 -2.318 11.826 5.976 158 HG23 ILE 25 3HG2 ILE 25 -1.963 12.262 4.305 159 HD11 ILE 25 1HD1 ILE 25 0.916 11.211 8.428 160 HD12 ILE 25 2HD1 ILE 25 -0.305 12.485 8.424 161 HD13 ILE 25 3HD1 ILE 25 -0.675 10.905 7.734 162 H ASP 26 H ASP 26 2.650 13.095 4.831 163 HA ASP 26 HA ASP 26 3.321 15.301 6.496 164 HB2 ASP 26 1HB ASP 26 4.576 13.206 6.597 165 HB3 ASP 26 2HB ASP 26 5.100 13.421 4.929 166 H PHE 27 H PHE 27 3.455 14.706 3.049 167 HA PHE 27 HA PHE 27 4.833 17.242 2.593 168 HB2 PHE 27 1HB PHE 27 3.993 15.093 0.636 169 HB3 PHE 27 2HB PHE 27 4.942 16.521 0.239 170 HD1 PHE 27 2HD PHE 27 7.160 16.815 1.559 171 HD2 PHE 27 1HD PHE 27 5.064 13.129 1.192 172 HE1 PHE 27 2HE PHE 27 9.226 15.591 2.094 173 HE2 PHE 27 1HE PHE 27 7.126 11.899 1.728 174 HZ PHE 27 HZ PHE 27 9.211 13.130 2.178 175 H ASN 28 H ASN 28 1.942 16.818 3.491 176 HA ASN 28 HA ASN 28 -0.122 17.703 3.106 177 HB2 ASN 28 1HB ASN 28 1.545 19.780 1.667 178 HB3 ASN 28 2HB ASN 28 -0.132 19.992 2.161 179 HD21 ASN 28 1HD2 ASN 28 -0.162 21.366 3.785 180 HD22 ASN 28 2HD2 ASN 28 0.865 21.319 5.173 181 H GLN 29 H GLN 29 0.558 15.672 1.319 182 HA GLN 29 HA GLN 29 -1.091 16.438 -0.965 183 HB2 GLN 29 1HB GLN 29 1.708 15.367 -1.125 184 HB3 GLN 29 2HB GLN 29 0.552 15.034 -2.408 185 HG2 GLN 29 1HG GLN 29 1.409 17.762 -1.467 186 HG3 GLN 29 2HG GLN 29 1.950 16.952 -2.937 187 HE21 GLN 29 1HE2 GLN 29 0.016 16.157 -4.311 188 HE22 GLN 29 2HE2 GLN 29 -1.225 17.328 -4.575 189 HA PRO 30 HA PRO 30 -2.974 12.550 -0.123 190 HB2 PRO 30 1HB PRO 30 -4.218 12.155 -2.503 191 HB3 PRO 30 2HB PRO 30 -4.776 13.336 -1.312 192 HG2 PRO 30 1HG PRO 30 -3.129 13.763 -3.776 193 HG3 PRO 30 2HG PRO 30 -4.483 14.725 -3.154 194 HD2 PRO 30 1HD PRO 30 -1.898 15.453 -2.808 195 HD3 PRO 30 2HD PRO 30 -3.161 15.822 -1.617 196 H LEU 31 H LEU 31 -2.472 10.428 -0.313 197 HA LEU 31 HA LEU 31 -0.191 9.699 -1.892 198 HB2 LEU 31 1HB LEU 31 -2.019 8.048 -0.156 199 HB3 LEU 31 2HB LEU 31 -0.535 7.456 -0.899 200 HG LEU 31 HG LEU 31 -0.540 9.767 1.023 201 HD11 LEU 31 1HD1 LEU 31 0.391 7.655 2.465 202 HD12 LEU 31 2HD1 LEU 31 -0.935 6.918 1.567 203 HD13 LEU 31 3HD1 LEU 31 -1.236 8.325 2.587 204 HD21 LEU 31 1HD2 LEU 31 1.464 8.123 -0.378 205 HD22 LEU 31 2HD2 LEU 31 1.806 8.474 1.316 206 HD23 LEU 31 3HD2 LEU 31 1.549 9.796 0.175 207 H VAL 32 H VAL 32 -0.677 9.758 -4.049 208 HA VAL 32 HA VAL 32 -2.833 7.973 -4.972 209 HB VAL 32 HB VAL 32 -2.805 9.273 -7.082 210 HG11 VAL 32 1HG1 VAL 32 -3.585 10.341 -4.455 211 HG12 VAL 32 2HG1 VAL 32 -3.531 11.521 -5.766 212 HG13 VAL 32 3HG1 VAL 32 -4.547 10.086 -5.910 213 HG21 VAL 32 1HG2 VAL 32 -1.638 11.677 -6.377 214 HG22 VAL 32 2HG2 VAL 32 -0.486 10.470 -5.808 215 HG23 VAL 32 3HG2 VAL 32 -0.980 10.488 -7.501 216 H ILE 33 H ILE 33 -2.399 7.042 -7.198 217 HA ILE 33 HA ILE 33 0.093 5.620 -7.104 218 HB ILE 33 HB ILE 33 -2.092 5.580 -9.189 219 HG12 ILE 33 1HG1 ILE 33 -1.473 3.611 -6.978 220 HG13 ILE 33 2HG1 ILE 33 -2.752 4.818 -6.907 221 HG21 ILE 33 1HG2 ILE 33 0.296 4.849 -9.837 222 HG22 ILE 33 2HG2 ILE 33 -0.023 3.450 -8.813 223 HG23 ILE 33 3HG2 ILE 33 -1.050 3.773 -10.210 224 HD11 ILE 33 1HD1 ILE 33 -2.774 2.209 -8.083 225 HD12 ILE 33 2HD1 ILE 33 -4.107 3.336 -7.827 226 HD13 ILE 33 3HD1 ILE 33 -3.146 3.428 -9.302 227 H THR 34 H THR 34 1.842 5.793 -8.434 228 HA THR 34 HA THR 34 1.965 8.215 -10.086 229 HB THR 34 HB THR 34 4.534 7.317 -10.017 230 HG1 THR 34 1HG THR 34 4.935 6.533 -7.943 231 HG21 THR 34 1HG2 THR 34 3.154 9.057 -7.968 232 HG22 THR 34 2HG2 THR 34 3.819 9.587 -9.514 233 HG23 THR 34 3HG2 THR 34 4.894 8.997 -8.247 234 H ARG 35 H ARG 35 2.169 4.750 -10.223 235 HA ARG 35 HA ARG 35 1.974 4.774 -13.079 236 HB2 ARG 35 1HB ARG 35 4.565 4.122 -11.750 237 HB3 ARG 35 2HB ARG 35 4.085 3.175 -13.152 238 HG2 ARG 35 1HG ARG 35 3.757 5.409 -14.337 239 HG3 ARG 35 2HG ARG 35 4.648 6.114 -12.986 240 HD2 ARG 35 1HD ARG 35 6.449 4.389 -13.472 241 HD3 ARG 35 2HD ARG 35 5.594 4.073 -14.981 242 HE ARG 35 HE ARG 35 7.215 6.364 -14.351 243 HH11 ARG 35 2HH1 ARG 35 4.639 5.133 -16.343 244 HH12 ARG 35 1HH1 ARG 35 4.887 6.292 -17.607 245 HH21 ARG 35 2HH2 ARG 35 7.551 7.895 -16.007 246 HH22 ARG 35 1HH2 ARG 35 6.544 7.862 -17.415 247 H ILE 36 H ILE 36 1.637 2.633 -13.971 248 HA ILE 36 HA ILE 36 1.037 0.569 -11.967 249 HB ILE 36 HB ILE 36 -0.805 1.459 -14.186 250 HG12 ILE 36 1HG1 ILE 36 -0.910 2.830 -12.152 251 HG13 ILE 36 2HG1 ILE 36 -2.384 1.890 -12.355 252 HG21 ILE 36 1HG2 ILE 36 -0.636 -1.067 -12.661 253 HG22 ILE 36 2HG2 ILE 36 -2.244 -0.381 -12.887 254 HG23 ILE 36 3HG2 ILE 36 -1.243 -0.761 -14.288 255 HD11 ILE 36 1HD1 ILE 36 -0.161 1.486 -10.392 256 HD12 ILE 36 2HD1 ILE 36 -1.881 1.729 -10.088 257 HD13 ILE 36 3HD1 ILE 36 -1.313 0.205 -10.770 258 H THR 37 H THR 37 1.190 -1.566 -12.685 259 HA THR 37 HA THR 37 3.028 -1.976 -14.848 260 HB THR 37 HB THR 37 1.563 -4.162 -13.382 261 HG1 THR 37 1HG THR 37 4.019 -3.040 -12.515 262 HG21 THR 37 1HG2 THR 37 3.608 -4.093 -15.346 263 HG22 THR 37 2HG2 THR 37 2.943 -5.496 -14.511 264 HG23 THR 37 3HG2 THR 37 4.334 -4.647 -13.839 265 HA PRO 38 HA PRO 38 -0.298 -2.350 -17.841 266 HB2 PRO 38 1HB PRO 38 1.345 -2.507 -19.997 267 HB3 PRO 38 2HB PRO 38 0.948 -0.979 -19.201 268 HG2 PRO 38 1HG PRO 38 3.388 -2.689 -18.910 269 HG3 PRO 38 2HG PRO 38 3.268 -0.925 -19.048 270 HD2 PRO 38 1HD PRO 38 3.628 -2.180 -16.675 271 HD3 PRO 38 2HD PRO 38 2.717 -0.663 -16.825 272 H GLY 39 H GLY 39 -0.998 -4.431 -17.202 273 HA2 GLY 39 1HA GLY 39 -1.482 -6.545 -18.235 274 HA3 GLY 39 2HA GLY 39 0.174 -6.592 -18.822 275 H SER 40 H SER 40 -1.461 -6.275 -15.666 276 HA SER 40 HA SER 40 -0.423 -8.718 -14.671 277 HB2 SER 40 1HB SER 40 1.391 -8.099 -13.410 278 HB3 SER 40 2HB SER 40 1.551 -6.918 -14.709 279 HG SER 40 HG SER 40 0.115 -5.597 -13.231 280 H LYS 41 H LYS 41 -0.757 -8.856 -12.225 281 HA LYS 41 HA LYS 41 -3.372 -8.448 -11.559 282 HB2 LYS 41 1HB LYS 41 -1.064 -8.379 -9.607 283 HB3 LYS 41 2HB LYS 41 -2.735 -8.775 -9.230 284 HG2 LYS 41 1HG LYS 41 -2.590 -10.864 -10.117 285 HG3 LYS 41 2HG LYS 41 -1.370 -10.397 -11.304 286 HD2 LYS 41 1HD LYS 41 0.144 -10.072 -9.205 287 HD3 LYS 41 2HD LYS 41 -1.035 -11.126 -8.423 288 HE2 LYS 41 1HE LYS 41 -0.626 -12.570 -10.611 289 HE3 LYS 41 2HE LYS 41 0.917 -11.719 -10.583 290 HZ1 LYS 41 1HZ LYS 41 1.372 -13.561 -9.322 291 HZ2 LYS 41 2HZ LYS 41 -0.177 -13.639 -8.646 292 HZ3 LYS 41 3HZ LYS 41 0.921 -12.467 -8.113 293 H ALA 42 H ALA 42 -0.802 -6.127 -11.520 294 HA ALA 42 HA ALA 42 -1.898 -4.228 -9.759 295 HB1 ALA 42 1HB ALA 42 0.162 -3.475 -10.151 296 HB2 ALA 42 2HB ALA 42 0.273 -4.338 -11.685 297 HB3 ALA 42 3HB ALA 42 -0.494 -2.751 -11.619 298 H ALA 43 H ALA 43 -1.764 -3.947 -13.313 299 HA ALA 43 HA ALA 43 -3.782 -1.966 -13.421 300 HB1 ALA 43 1HB ALA 43 -2.078 -3.368 -15.292 301 HB2 ALA 43 2HB ALA 43 -3.702 -3.128 -15.938 302 HB3 ALA 43 3HB ALA 43 -2.760 -1.744 -15.384 303 H ALA 44 H ALA 44 -3.817 -5.469 -13.844 304 HA ALA 44 HA ALA 44 -6.395 -5.788 -14.846 305 HB1 ALA 44 1HB ALA 44 -5.744 -7.906 -14.815 306 HB2 ALA 44 2HB ALA 44 -4.346 -7.465 -13.834 307 HB3 ALA 44 3HB ALA 44 -5.860 -7.926 -13.055 308 H ALA 45 H ALA 45 -5.396 -4.679 -11.790 309 HA ALA 45 HA ALA 45 -7.912 -5.398 -10.490 310 HB1 ALA 45 1HB ALA 45 -6.592 -3.943 -8.633 311 HB2 ALA 45 2HB ALA 45 -6.401 -5.684 -8.847 312 HB3 ALA 45 3HB ALA 45 -5.241 -4.574 -9.576 313 H ASN 46 H ASN 46 -7.302 -3.233 -12.664 314 HA ASN 46 HA ASN 46 -8.337 -1.292 -13.273 315 HB2 ASN 46 1HB ASN 46 -9.671 -1.225 -10.567 316 HB3 ASN 46 2HB ASN 46 -10.221 -0.483 -12.067 317 HD21 ASN 46 1HD2 ASN 46 -10.501 -2.146 -13.892 318 HD22 ASN 46 2HD2 ASN 46 -11.357 -3.583 -13.458 319 H LEU 47 H LEU 47 -5.816 -1.484 -11.714 320 HA LEU 47 HA LEU 47 -5.730 0.906 -10.099 321 HB2 LEU 47 1HB LEU 47 -3.505 -0.882 -11.069 322 HB3 LEU 47 2HB LEU 47 -3.345 0.399 -9.870 323 HG LEU 47 HG LEU 47 -5.029 -2.080 -9.524 324 HD11 LEU 47 1HD1 LEU 47 -2.323 -2.037 -9.554 325 HD12 LEU 47 2HD1 LEU 47 -3.291 -3.145 -8.583 326 HD13 LEU 47 3HD1 LEU 47 -2.646 -1.673 -7.858 327 HD21 LEU 47 1HD2 LEU 47 -4.269 -0.770 -7.105 328 HD22 LEU 47 2HD2 LEU 47 -5.886 -1.085 -7.738 329 HD23 LEU 47 3HD2 LEU 47 -5.039 0.399 -8.179 330 H CYS 48 H CYS 48 -4.915 2.870 -10.643 331 HA CYS 48 HA CYS 48 -3.602 3.222 -13.221 332 HB2 CYS 48 1HB CYS 48 -6.292 4.301 -12.505 333 HB3 CYS 48 2HB CYS 48 -5.217 5.311 -13.464 334 HG CYS 48 HG CYS 48 -5.448 4.047 -15.723 335 HA PRO 49 HA PRO 49 -1.182 6.065 -10.895 336 HB2 PRO 49 1HB PRO 49 -0.157 7.538 -12.932 337 HB3 PRO 49 2HB PRO 49 0.372 5.889 -12.578 338 HG2 PRO 49 1HG PRO 49 -1.566 6.853 -14.646 339 HG3 PRO 49 2HG PRO 49 -0.284 5.637 -14.795 340 HD2 PRO 49 1HD PRO 49 -2.888 4.976 -14.459 341 HD3 PRO 49 2HD PRO 49 -1.561 3.989 -13.813 342 H GLY 50 H GLY 50 -2.980 7.142 -9.872 343 HA2 GLY 50 1HA GLY 50 -3.041 9.853 -10.015 344 HA3 GLY 50 2HA GLY 50 -4.248 9.368 -11.197 345 H ASP 51 H ASP 51 -4.972 6.973 -9.616 346 HA ASP 51 HA ASP 51 -7.161 7.957 -8.241 347 HB2 ASP 51 1HB ASP 51 -6.436 5.503 -8.950 348 HB3 ASP 51 2HB ASP 51 -5.910 5.428 -7.270 349 H VAL 52 H VAL 52 -7.652 8.146 -6.008 350 HA VAL 52 HA VAL 52 -5.356 9.029 -4.421 351 HB VAL 52 HB VAL 52 -8.308 9.436 -3.916 352 HG11 VAL 52 1HG1 VAL 52 -7.802 10.352 -1.945 353 HG12 VAL 52 2HG1 VAL 52 -6.226 9.576 -2.112 354 HG13 VAL 52 3HG1 VAL 52 -6.444 11.251 -2.621 355 HG21 VAL 52 1HG2 VAL 52 -7.298 11.896 -4.413 356 HG22 VAL 52 2HG2 VAL 52 -6.315 10.913 -5.499 357 HG23 VAL 52 3HG2 VAL 52 -8.073 10.881 -5.630 358 H ILE 53 H ILE 53 -4.598 7.870 -2.779 359 HA ILE 53 HA ILE 53 -5.954 5.424 -2.014 360 HB ILE 53 HB ILE 53 -3.336 6.522 -0.987 361 HG12 ILE 53 1HG1 ILE 53 -3.572 6.048 -3.522 362 HG13 ILE 53 2HG1 ILE 53 -2.205 5.345 -2.664 363 HG21 ILE 53 1HG2 ILE 53 -4.398 3.702 -0.944 364 HG22 ILE 53 2HG2 ILE 53 -2.901 4.288 -0.220 365 HG23 ILE 53 3HG2 ILE 53 -4.457 4.813 0.424 366 HD11 ILE 53 1HD1 ILE 53 -3.572 3.903 -4.321 367 HD12 ILE 53 2HD1 ILE 53 -3.066 3.213 -2.778 368 HD13 ILE 53 3HD1 ILE 53 -4.723 3.780 -2.991 369 H LEU 54 H LEU 54 -7.553 5.607 -0.578 370 HA LEU 54 HA LEU 54 -7.526 7.653 1.462 371 HB2 LEU 54 1HB LEU 54 -9.465 5.448 0.802 372 HB3 LEU 54 2HB LEU 54 -9.694 6.575 2.137 373 HG LEU 54 HG LEU 54 -9.468 7.422 -0.747 374 HD11 LEU 54 1HD1 LEU 54 -11.882 6.762 0.919 375 HD12 LEU 54 2HD1 LEU 54 -11.426 6.105 -0.652 376 HD13 LEU 54 3HD1 LEU 54 -11.956 7.781 -0.519 377 HD21 LEU 54 1HD2 LEU 54 -8.954 9.026 1.186 378 HD22 LEU 54 2HD2 LEU 54 -10.681 8.943 1.538 379 HD23 LEU 54 3HD2 LEU 54 -10.126 9.543 -0.026 380 H ALA 55 H ALA 55 -7.254 4.132 1.297 381 HA ALA 55 HA ALA 55 -5.949 4.148 3.905 382 HB1 ALA 55 1HB ALA 55 -8.570 2.890 3.341 383 HB2 ALA 55 2HB ALA 55 -7.429 1.976 4.328 384 HB3 ALA 55 3HB ALA 55 -7.942 3.586 4.835 385 H ILE 56 H ILE 56 -4.399 2.595 4.129 386 HA ILE 56 HA ILE 56 -3.976 0.844 1.799 387 HB ILE 56 HB ILE 56 -1.954 1.928 3.763 388 HG12 ILE 56 1HG1 ILE 56 -2.117 2.446 0.797 389 HG13 ILE 56 2HG1 ILE 56 -2.941 3.469 1.969 390 HG21 ILE 56 1HG2 ILE 56 -1.514 -0.397 2.917 391 HG22 ILE 56 2HG2 ILE 56 -1.418 0.289 1.296 392 HG23 ILE 56 3HG2 ILE 56 -0.267 0.790 2.535 393 HD11 ILE 56 1HD1 ILE 56 -1.062 4.525 2.523 394 HD12 ILE 56 2HD1 ILE 56 -0.131 3.028 2.593 395 HD13 ILE 56 3HD1 ILE 56 -0.400 3.829 1.044 396 H ASP 57 H ASP 57 -4.114 -1.279 2.082 397 HA ASP 57 HA ASP 57 -4.598 -3.254 3.147 398 HB2 ASP 57 1HB ASP 57 -2.128 -3.169 3.166 399 HB3 ASP 57 2HB ASP 57 -2.178 -2.389 4.745 400 H GLY 58 H GLY 58 -6.265 -1.298 4.119 401 HA2 GLY 58 1HA GLY 58 -7.784 -1.067 5.838 402 HA3 GLY 58 2HA GLY 58 -6.973 -2.389 6.663 403 H PHE 59 H PHE 59 -5.208 0.429 5.639 404 HA PHE 59 HA PHE 59 -5.129 1.372 8.427 405 HB2 PHE 59 1HB PHE 59 -2.782 1.301 6.520 406 HB3 PHE 59 2HB PHE 59 -2.755 1.855 8.191 407 HD1 PHE 59 2HD PHE 59 -3.955 -0.068 9.792 408 HD2 PHE 59 1HD PHE 59 -1.730 -0.702 6.219 409 HE1 PHE 59 2HE PHE 59 -3.411 -2.348 10.539 410 HE2 PHE 59 1HE PHE 59 -1.183 -2.984 6.960 411 HZ PHE 59 HZ PHE 59 -2.023 -3.809 9.123 412 H GLY 60 H GLY 60 -6.535 3.072 8.106 413 HA2 GLY 60 1HA GLY 60 -6.868 4.783 6.045 414 HA3 GLY 60 2HA GLY 60 -6.934 5.319 7.717 415 H THR 61 H THR 61 -5.928 6.574 5.163 416 HA THR 61 HA THR 61 -3.106 6.974 5.829 417 HB THR 61 HB THR 61 -2.894 8.095 3.690 418 HG1 THR 61 1HG THR 61 -5.534 8.441 3.963 419 HG21 THR 61 1HG2 THR 61 -2.797 6.163 2.556 420 HG22 THR 61 2HG2 THR 61 -4.530 5.880 2.719 421 HG23 THR 61 3HG2 THR 61 -3.434 5.418 4.021 422 H GLU 62 H GLU 62 -5.103 8.038 7.588 423 HA GLU 62 HA GLU 62 -5.275 10.876 7.051 424 HB2 GLU 62 1HB GLU 62 -6.485 11.003 9.163 425 HB3 GLU 62 2HB GLU 62 -7.129 9.708 8.163 426 HG2 GLU 62 1HG GLU 62 -5.042 9.068 10.186 427 HG3 GLU 62 2HG GLU 62 -6.699 9.352 10.716 428 H SER 63 H SER 63 -3.314 8.695 8.933 429 HA SER 63 HA SER 63 -1.645 10.974 9.743 430 HB2 SER 63 1HB SER 63 -1.232 9.869 11.924 431 HB3 SER 63 2HB SER 63 -2.927 10.307 11.710 432 HG SER 63 HG SER 63 -2.027 7.967 12.339 433 H MET 64 H MET 64 -1.590 8.780 7.640 434 HA MET 64 HA MET 64 0.963 7.524 8.383 435 HB2 MET 64 1HB MET 64 -0.319 5.738 7.755 436 HB3 MET 64 2HB MET 64 -1.311 6.694 6.662 437 HG2 MET 64 1HG MET 64 0.609 6.766 5.085 438 HG3 MET 64 2HG MET 64 1.467 5.661 6.156 439 HE1 MET 64 1HE MET 64 -1.554 4.344 7.020 440 HE2 MET 64 2HE MET 64 -1.536 2.846 6.089 441 HE3 MET 64 3HE MET 64 -0.115 3.323 7.021 442 H THR 65 H THR 65 2.748 8.335 7.524 443 HA THR 65 HA THR 65 2.569 10.205 5.305 444 HB THR 65 HB THR 65 4.901 10.721 5.753 445 HG1 THR 65 1HG THR 65 5.760 9.553 7.739 446 HG21 THR 65 1HG2 THR 65 3.506 10.476 8.414 447 HG22 THR 65 2HG2 THR 65 3.054 11.672 7.199 448 HG23 THR 65 3HG2 THR 65 4.670 11.699 7.906 449 H HIS 66 H HIS 66 4.164 10.075 3.527 450 HA HIS 66 HA HIS 66 3.911 7.941 1.909 451 HB2 HIS 66 1HB HIS 66 5.229 10.216 1.626 452 HB3 HIS 66 2HB HIS 66 6.622 9.197 1.974 453 HD1 HIS 66 1HD HIS 66 3.584 8.689 -0.274 454 HD2 HIS 66 2HD HIS 66 7.734 8.536 -0.389 455 HE1 HIS 66 1HE HIS 66 4.166 7.957 -2.609 456 HE2 HIS 66 2HE HIS 66 6.679 7.789 -2.629 457 H ALA 67 H ALA 67 6.691 8.368 4.103 458 HA ALA 67 HA ALA 67 7.941 5.938 3.616 459 HB1 ALA 67 1HB ALA 67 7.860 7.545 6.166 460 HB2 ALA 67 2HB ALA 67 8.984 6.226 5.838 461 HB3 ALA 67 3HB ALA 67 9.035 7.692 4.859 462 H ASP 68 H ASP 68 5.439 6.728 6.004 463 HA ASP 68 HA ASP 68 5.332 4.274 7.318 464 HB2 ASP 68 1HB ASP 68 3.422 6.527 6.915 465 HB3 ASP 68 2HB ASP 68 2.784 5.011 7.546 466 H ALA 69 H ALA 69 3.345 5.404 4.583 467 HA ALA 69 HA ALA 69 1.808 3.161 4.171 468 HB1 ALA 69 1HB ALA 69 2.914 5.181 2.247 469 HB2 ALA 69 2HB ALA 69 1.860 3.870 1.714 470 HB3 ALA 69 3HB ALA 69 1.277 5.046 2.891 471 H GLN 70 H GLN 70 5.138 3.744 3.182 472 HA GLN 70 HA GLN 70 5.443 1.534 1.478 473 HB2 GLN 70 1HB GLN 70 7.491 2.949 3.191 474 HB3 GLN 70 2HB GLN 70 7.875 1.799 1.917 475 HG2 GLN 70 1HG GLN 70 6.177 4.130 1.223 476 HG3 GLN 70 2HG GLN 70 7.895 4.404 1.508 477 HE21 GLN 70 1HE2 GLN 70 6.338 4.637 -0.950 478 HE22 GLN 70 2HE2 GLN 70 7.090 3.581 -2.093 479 H ASP 71 H ASP 71 5.857 1.878 4.967 480 HA ASP 71 HA ASP 71 6.935 -0.693 5.429 481 HB2 ASP 71 1HB ASP 71 5.728 1.451 7.099 482 HB3 ASP 71 2HB ASP 71 5.785 -0.168 7.792 483 H ARG 72 H ARG 72 3.815 0.324 4.576 484 HA ARG 72 HA ARG 72 2.529 -2.041 5.717 485 HB2 ARG 72 1HB ARG 72 1.490 0.461 4.409 486 HB3 ARG 72 2HB ARG 72 0.455 -0.941 4.650 487 HG2 ARG 72 1HG ARG 72 -0.013 0.262 6.532 488 HG3 ARG 72 2HG ARG 72 1.302 -0.756 7.121 489 HD2 ARG 72 1HD ARG 72 2.871 1.001 6.942 490 HD3 ARG 72 2HD ARG 72 1.768 1.986 5.982 491 HE ARG 72 HE ARG 72 0.412 1.756 8.267 492 HH11 ARG 72 2HH1 ARG 72 3.752 2.525 7.656 493 HH12 ARG 72 1HH1 ARG 72 3.917 3.519 9.066 494 HH21 ARG 72 2HH2 ARG 72 0.617 3.062 10.126 495 HH22 ARG 72 1HH2 ARG 72 2.133 3.823 10.471 496 H ILE 73 H ILE 73 3.415 -0.612 2.636 497 HA ILE 73 HA ILE 73 2.055 -2.565 1.044 498 HB ILE 73 HB ILE 73 4.252 -0.630 0.301 499 HG12 ILE 73 1HG1 ILE 73 1.375 -0.393 -0.506 500 HG13 ILE 73 2HG1 ILE 73 1.876 0.148 1.092 501 HG21 ILE 73 1HG2 ILE 73 2.404 -2.011 -1.616 502 HG22 ILE 73 2HG2 ILE 73 3.906 -1.152 -1.952 503 HG23 ILE 73 3HG2 ILE 73 3.948 -2.719 -1.144 504 HD11 ILE 73 1HD1 ILE 73 1.946 1.606 -1.255 505 HD12 ILE 73 2HD1 ILE 73 2.721 2.024 0.274 506 HD13 ILE 73 3HD1 ILE 73 3.628 1.160 -0.967 507 H LYS 74 H LYS 74 5.356 -2.128 2.212 508 HA LYS 74 HA LYS 74 6.440 -4.331 0.755 509 HB2 LYS 74 1HB LYS 74 8.446 -3.960 1.993 510 HB3 LYS 74 2HB LYS 74 7.759 -2.380 1.641 511 HG2 LYS 74 1HG LYS 74 6.742 -2.443 3.948 512 HG3 LYS 74 2HG LYS 74 7.748 -3.860 4.255 513 HD2 LYS 74 1HD LYS 74 9.667 -2.296 3.381 514 HD3 LYS 74 2HD LYS 74 8.544 -1.014 3.840 515 HE2 LYS 74 1HE LYS 74 9.662 -1.251 5.812 516 HE3 LYS 74 2HE LYS 74 8.390 -2.446 6.060 517 HZ1 LYS 74 1HZ LYS 74 11.066 -2.903 6.235 518 HZ2 LYS 74 2HZ LYS 74 10.674 -3.527 4.713 519 HZ3 LYS 74 3HZ LYS 74 9.869 -4.090 6.089 520 H ALA 75 H ALA 75 5.209 -3.885 4.037 521 HA ALA 75 HA ALA 75 5.670 -6.711 4.630 522 HB1 ALA 75 1HB ALA 75 4.668 -4.496 6.416 523 HB2 ALA 75 2HB ALA 75 5.058 -6.141 6.921 524 HB3 ALA 75 3HB ALA 75 6.331 -5.077 6.322 525 H ALA 76 H ALA 76 3.548 -5.526 2.781 526 HA ALA 76 HA ALA 76 0.999 -5.717 3.818 527 HB1 ALA 76 1HB ALA 76 0.284 -6.328 1.523 528 HB2 ALA 76 2HB ALA 76 1.374 -4.941 1.573 529 HB3 ALA 76 3HB ALA 76 1.982 -6.523 1.084 530 H SER 77 H SER 77 -0.499 -7.629 2.763 531 HA SER 77 HA SER 77 0.600 -10.135 3.859 532 HB2 SER 77 1HB SER 77 -2.117 -8.887 4.122 533 HB3 SER 77 2HB SER 77 -1.941 -10.639 4.229 534 HG SER 77 HG SER 77 -1.572 -10.123 6.258 535 H TYR 78 H TYR 78 -0.891 -12.052 3.058 536 HA TYR 78 HA TYR 78 -0.315 -12.729 0.538 537 HB2 TYR 78 1HB TYR 78 -1.371 -14.434 1.673 538 HB3 TYR 78 2HB TYR 78 -2.665 -13.392 2.254 539 HD1 TYR 78 2HD TYR 78 -1.423 -15.280 -0.667 540 HD2 TYR 78 1HD TYR 78 -4.690 -13.144 1.026 541 HE1 TYR 78 2HE TYR 78 -2.889 -16.118 -2.455 542 HE2 TYR 78 1HE TYR 78 -6.166 -13.977 -0.756 543 HH TYR 78 HH TYR 78 -5.802 -14.824 -3.201 544 H GLN 79 H GLN 79 -2.933 -10.591 1.486 545 HA GLN 79 HA GLN 79 -3.258 -9.841 -1.333 546 HB2 GLN 79 1HB GLN 79 -5.693 -9.662 -1.019 547 HB3 GLN 79 2HB GLN 79 -5.122 -11.311 -0.802 548 HG2 GLN 79 1HG GLN 79 -5.270 -11.094 1.593 549 HG3 GLN 79 2HG GLN 79 -5.713 -9.394 1.441 550 HE21 GLN 79 1HE2 GLN 79 -7.738 -9.277 2.129 551 HE22 GLN 79 2HE2 GLN 79 -9.049 -10.250 1.566 552 H LEU 80 H LEU 80 -3.178 -7.711 -1.667 553 HA LEU 80 HA LEU 80 -3.010 -5.952 0.647 554 HB2 LEU 80 1HB LEU 80 -1.270 -5.673 -0.941 555 HB3 LEU 80 2HB LEU 80 -2.415 -5.585 -2.278 556 HG LEU 80 HG LEU 80 -3.224 -3.413 -1.329 557 HD11 LEU 80 1HD1 LEU 80 -2.576 -3.534 0.936 558 HD12 LEU 80 2HD1 LEU 80 -1.570 -2.280 0.211 559 HD13 LEU 80 3HD1 LEU 80 -0.898 -3.881 0.518 560 HD21 LEU 80 1HD2 LEU 80 -1.002 -2.210 -1.928 561 HD22 LEU 80 2HD2 LEU 80 -1.843 -3.147 -3.163 562 HD23 LEU 80 3HD2 LEU 80 -0.441 -3.831 -2.339 563 H CYS 81 H CYS 81 -4.491 -4.461 1.198 564 HA CYS 81 HA CYS 81 -6.843 -4.179 -0.554 565 HB2 CYS 81 1HB CYS 81 -6.590 -4.303 2.437 566 HB3 CYS 81 2HB CYS 81 -7.973 -3.511 1.690 567 HG CYS 81 HG CYS 81 -8.523 -5.944 0.158 568 H LEU 82 H LEU 82 -6.770 -2.289 -1.573 569 HA LEU 82 HA LEU 82 -5.902 0.083 -0.054 570 HB2 LEU 82 1HB LEU 82 -5.649 -0.493 -3.001 571 HB3 LEU 82 2HB LEU 82 -5.282 1.060 -2.254 572 HG LEU 82 HG LEU 82 -3.861 -1.434 -1.387 573 HD11 LEU 82 1HD1 LEU 82 -3.340 0.238 -3.822 574 HD12 LEU 82 2HD1 LEU 82 -3.428 -1.517 -3.682 575 HD13 LEU 82 3HD1 LEU 82 -2.050 -0.647 -3.007 576 HD21 LEU 82 1HD2 LEU 82 -3.599 1.480 -1.017 577 HD22 LEU 82 2HD2 LEU 82 -2.095 0.592 -1.261 578 HD23 LEU 82 3HD2 LEU 82 -3.174 0.152 0.064 579 H LYS 83 H LYS 83 -7.570 1.321 0.461 580 HA LYS 83 HA LYS 83 -10.019 1.234 -1.095 581 HB2 LYS 83 1HB LYS 83 -9.963 1.234 1.433 582 HB3 LYS 83 2HB LYS 83 -9.437 2.910 1.348 583 HG2 LYS 83 1HG LYS 83 -11.584 3.178 -0.135 584 HG3 LYS 83 2HG LYS 83 -12.088 1.718 0.719 585 HD2 LYS 83 1HD LYS 83 -11.291 3.091 2.826 586 HD3 LYS 83 2HD LYS 83 -11.601 4.465 1.763 587 HE2 LYS 83 1HE LYS 83 -13.883 3.682 1.404 588 HE3 LYS 83 2HE LYS 83 -13.575 2.282 2.431 589 HZ1 LYS 83 1HZ LYS 83 -13.358 5.086 3.374 590 HZ2 LYS 83 2HZ LYS 83 -13.325 3.682 4.316 591 HZ3 LYS 83 3HZ LYS 83 -14.756 4.149 3.543 592 H ILE 84 H ILE 84 -10.189 2.476 -2.837 593 HA ILE 84 HA ILE 84 -8.693 4.972 -3.008 594 HB ILE 84 HB ILE 84 -9.594 5.017 -5.365 595 HG12 ILE 84 1HG1 ILE 84 -10.257 2.121 -5.038 596 HG13 ILE 84 2HG1 ILE 84 -11.466 3.318 -4.586 597 HG21 ILE 84 1HG2 ILE 84 -8.239 2.626 -5.712 598 HG22 ILE 84 2HG2 ILE 84 -7.529 4.238 -5.651 599 HG23 ILE 84 3HG2 ILE 84 -7.619 3.259 -4.187 600 HD11 ILE 84 1HD1 ILE 84 -12.081 3.106 -6.730 601 HD12 ILE 84 2HD1 ILE 84 -10.759 4.239 -7.015 602 HD13 ILE 84 3HD1 ILE 84 -10.501 2.508 -7.236 603 H ASP 85 H ASP 85 -9.832 6.870 -4.013 604 HA ASP 85 HA ASP 85 -12.294 7.352 -2.536 605 HB2 ASP 85 1HB ASP 85 -11.931 9.674 -2.961 606 HB3 ASP 85 2HB ASP 85 -10.367 8.982 -2.539 607 H ARG 86 H ARG 86 -11.187 6.906 -5.803 608 HA ARG 86 HA ARG 86 -12.286 6.678 -7.781 609 HB2 ARG 86 1HB ARG 86 -13.719 5.171 -6.356 610 HB3 ARG 86 2HB ARG 86 -14.814 6.529 -6.138 611 HG2 ARG 86 1HG ARG 86 -15.827 5.455 -7.875 612 HG3 ARG 86 2HG ARG 86 -14.781 6.566 -8.762 613 HD2 ARG 86 1HD ARG 86 -13.696 3.897 -8.032 614 HD3 ARG 86 2HD ARG 86 -14.885 3.981 -9.331 615 HE ARG 86 HE ARG 86 -12.802 5.894 -9.674 616 HH11 ARG 86 2HH1 ARG 86 -13.601 2.528 -10.065 617 HH12 ARG 86 1HH1 ARG 86 -12.458 2.271 -11.342 618 HH21 ARG 86 2HH2 ARG 86 -11.294 5.568 -11.354 619 HH22 ARG 86 1HH2 ARG 86 -11.146 4.001 -12.073 620 H ALA 87 H ALA 87 -11.680 9.256 -7.025 621 HA ALA 87 HA ALA 87 -13.947 10.990 -7.269 622 HB1 ALA 87 1HB ALA 87 -12.414 12.236 -6.222 623 HB2 ALA 87 2HB ALA 87 -11.071 11.280 -6.851 624 HB3 ALA 87 3HB ALA 87 -11.780 12.559 -7.836 625 H GLU 88 H GLU 88 -15.036 11.209 -9.107 626 HA GLU 88 HA GLU 88 -14.092 10.457 -11.644 627 HB2 GLU 88 1HB GLU 88 -16.104 11.540 -12.520 628 HB3 GLU 88 2HB GLU 88 -16.475 10.568 -11.104 629 HG2 GLU 88 1HG GLU 88 -16.704 12.482 -9.734 630 HG3 GLU 88 2HG GLU 88 -16.014 13.532 -10.970 631 H THR 89 H THR 89 -14.251 13.595 -10.031 632 HA THR 89 HA THR 89 -12.636 14.724 -12.226 633 HB THR 89 HB THR 89 -14.446 16.308 -10.400 634 HG1 THR 89 1HG THR 89 -14.920 15.235 -12.995 635 HG21 THR 89 1HG2 THR 89 -12.502 17.447 -11.540 636 HG22 THR 89 2HG2 THR 89 -14.093 18.112 -11.911 637 HG23 THR 89 3HG2 THR 89 -13.281 17.065 -13.075 638 H ARG 90 H ARG 90 -12.866 14.075 -8.871 639 HA ARG 90 HA ARG 90 -11.442 14.391 -7.126 640 HB2 ARG 90 1HB ARG 90 -9.626 14.830 -9.472 641 HB3 ARG 90 2HB ARG 90 -9.035 15.105 -7.839 642 HG2 ARG 90 1HG ARG 90 -9.684 12.783 -7.265 643 HG3 ARG 90 2HG ARG 90 -10.123 12.531 -8.955 644 HD2 ARG 90 1HD ARG 90 -7.832 11.728 -8.309 645 HD3 ARG 90 2HD ARG 90 -7.883 12.844 -9.673 646 HE ARG 90 HE ARG 90 -6.738 13.331 -7.056 647 HH11 ARG 90 2HH1 ARG 90 -7.831 14.686 -10.071 648 HH12 ARG 90 1HH1 ARG 90 -6.901 16.139 -9.906 649 HH21 ARG 90 2HH2 ARG 90 -5.509 15.239 -6.827 650 HH22 ARG 90 1HH2 ARG 90 -5.580 16.452 -8.060 651 H LEU 91 H LEU 91 -13.179 16.440 -7.543 652 HA LEU 91 HA LEU 91 -11.576 18.764 -6.737 653 HB2 LEU 91 1HB LEU 91 -12.130 19.308 -8.952 654 HB3 LEU 91 2HB LEU 91 -13.762 18.661 -8.790 655 HG LEU 91 HG LEU 91 -14.229 20.569 -7.201 656 HD11 LEU 91 1HD1 LEU 91 -12.683 22.563 -7.655 657 HD12 LEU 91 2HD1 LEU 91 -11.505 21.357 -8.173 658 HD13 LEU 91 3HD1 LEU 91 -12.131 21.327 -6.525 659 HD21 LEU 91 1HD2 LEU 91 -13.682 20.866 -10.121 660 HD22 LEU 91 2HD2 LEU 91 -14.192 22.269 -9.181 661 HD23 LEU 91 3HD2 LEU 91 -15.222 20.839 -9.261 662 H TRP 92 H TRP 92 -14.799 17.290 -6.840 663 HA TRP 92 HA TRP 92 -15.759 18.947 -4.677 664 HB2 TRP 92 1HB TRP 92 -17.292 18.250 -6.457 665 HB3 TRP 92 2HB TRP 92 -17.020 16.559 -6.043 666 HD1 TRP 92 HD TRP 92 -17.859 15.867 -3.452 667 HE1 TRP 92 1HE TRP 92 -19.969 16.654 -2.206 668 HE3 TRP 92 3HE TRP 92 -18.887 20.071 -6.173 669 HZ2 TRP 92 2HZ TRP 92 -21.825 18.776 -2.357 670 HZ3 TRP 92 3HZ TRP 92 -20.849 21.424 -5.558 671 HH2 TRP 92 HH TRP 92 -22.286 20.787 -3.690 672 H SER 93 H SER 93 -14.988 18.565 -2.700 673 HA SER 93 HA SER 93 -14.025 17.393 -0.952 674 HB2 SER 93 1HB SER 93 -15.693 16.096 0.217 675 HB3 SER 93 2HB SER 93 -16.501 17.455 -0.565 676 HG SER 93 HG SER 93 -16.318 14.878 -1.730 677 HA PRO 94 HA PRO 94 -12.840 13.692 -3.648 678 HB2 PRO 94 1HB PRO 94 -10.296 14.476 -4.177 679 HB3 PRO 94 2HB PRO 94 -11.667 14.908 -5.205 680 HG2 PRO 94 1HG PRO 94 -10.295 16.531 -3.096 681 HG3 PRO 94 2HG PRO 94 -10.852 17.028 -4.705 682 HD2 PRO 94 1HD PRO 94 -12.249 17.566 -2.448 683 HD3 PRO 94 2HD PRO 94 -13.037 17.270 -4.012 684 H GLN 95 H GLN 95 -11.738 15.343 -0.864 685 HA GLN 95 HA GLN 95 -9.812 13.299 -0.122 686 HB2 GLN 95 1HB GLN 95 -10.767 15.786 1.303 687 HB3 GLN 95 2HB GLN 95 -9.556 14.685 1.947 688 HG2 GLN 95 1HG GLN 95 -8.193 15.127 -0.104 689 HG3 GLN 95 2HG GLN 95 -9.356 16.383 -0.524 690 HE21 GLN 95 1HE2 GLN 95 -6.820 15.426 1.641 691 HE22 GLN 95 2HE2 GLN 95 -6.573 16.975 2.365 692 H VAL 96 H VAL 96 -12.506 12.425 -0.471 693 HA VAL 96 HA VAL 96 -12.841 10.895 1.870 694 HB VAL 96 HB VAL 96 -13.685 12.955 2.855 695 HG11 VAL 96 1HG1 VAL 96 -14.705 14.443 1.557 696 HG12 VAL 96 2HG1 VAL 96 -14.932 13.249 0.277 697 HG13 VAL 96 3HG1 VAL 96 -16.125 13.397 1.568 698 HG21 VAL 96 1HG2 VAL 96 -14.723 10.713 3.362 699 HG22 VAL 96 2HG2 VAL 96 -15.727 12.117 3.725 700 HG23 VAL 96 3HG2 VAL 96 -16.034 11.165 2.273 701 H SER 97 H SER 97 -14.207 9.187 1.532 702 HA SER 97 HA SER 97 -15.356 9.001 -1.154 703 HB2 SER 97 1HB SER 97 -15.573 6.523 -0.474 704 HB3 SER 97 2HB SER 97 -13.949 7.156 -0.742 705 HG SER 97 HG SER 97 -14.448 5.874 1.273 706 H SER 98 H SER 98 -16.222 8.528 2.247 707 HA SER 98 HA SER 98 -19.044 8.855 1.492 708 HB2 SER 98 1HB SER 98 -17.892 6.777 3.360 709 HB3 SER 98 2HB SER 98 -19.605 7.193 3.317 710 HG SER 98 HG SER 98 -18.090 5.733 1.532 711 H GLY 99 H GLY 99 -20.170 10.250 2.726 712 HA2 GLY 99 1HA GLY 99 -19.078 11.024 5.340 713 HA3 GLY 99 2HA GLY 99 -19.351 12.275 4.137 714 HA PRO 100 HA PRO 100 -23.184 12.057 6.664 715 HB2 PRO 100 1HB PRO 100 -23.610 14.738 6.633 716 HB3 PRO 100 2HB PRO 100 -22.551 13.948 7.807 717 HG2 PRO 100 1HG PRO 100 -21.838 15.393 5.284 718 HG3 PRO 100 2HG PRO 100 -21.060 15.469 6.876 719 HD2 PRO 100 1HD PRO 100 -20.065 13.990 4.837 720 HD3 PRO 100 2HD PRO 100 -19.891 13.511 6.538 721 H SER 101 H SER 101 -25.186 11.873 5.836 722 HA SER 101 HA SER 101 -25.771 13.190 3.271 723 HB2 SER 101 1HB SER 101 -26.798 11.208 2.399 724 HB3 SER 101 2HB SER 101 -25.205 10.742 2.995 725 HG SER 101 HG SER 101 -26.300 10.073 4.951 726 H SER 102 H SER 102 -27.663 14.230 3.200 727 HA SER 102 HA SER 102 -29.710 15.030 3.788 728 HB2 SER 102 1HB SER 102 -30.138 12.435 3.754 729 HB3 SER 102 2HB SER 102 -30.251 12.633 5.503 730 HG SER 102 HG SER 102 -32.155 13.033 3.804 731 H GLY 103 H GLY 103 -27.518 15.853 5.288 732 HA2 GLY 103 1HA GLY 103 -28.859 16.697 7.710 733 HA3 GLY 103 2HA GLY 103 -27.451 15.682 7.980 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -31.795 8.584 1.597 2 HA2 GLY 1 1HA GLY 1 -31.950 7.597 -0.748 3 HA3 GLY 1 2HA GLY 1 -31.125 9.071 -1.234 4 H SER 2 H SER 2 -29.013 8.874 -1.503 5 HA SER 2 HA SER 2 -27.277 7.674 0.362 6 HB2 SER 2 1HB SER 2 -28.277 5.591 -0.560 7 HB3 SER 2 2HB SER 2 -27.698 6.052 -2.161 8 HG SER 2 HG SER 2 -25.563 6.197 -0.901 9 H SER 3 H SER 3 -25.284 8.476 0.074 10 HA SER 3 HA SER 3 -24.492 9.398 -2.595 11 HB2 SER 3 1HB SER 3 -23.702 11.528 -1.713 12 HB3 SER 3 2HB SER 3 -25.418 11.339 -1.354 13 HG SER 3 HG SER 3 -23.419 11.752 0.345 14 H GLY 4 H GLY 4 -22.438 8.926 -3.103 15 HA2 GLY 4 1HA GLY 4 -20.153 9.008 -1.688 16 HA3 GLY 4 2HA GLY 4 -20.847 7.485 -1.153 17 H SER 5 H SER 5 -18.420 8.234 -2.803 18 HA SER 5 HA SER 5 -19.022 6.512 -5.119 19 HB2 SER 5 1HB SER 5 -17.212 8.908 -4.880 20 HB3 SER 5 2HB SER 5 -16.988 7.713 -6.157 21 HG SER 5 HG SER 5 -19.138 9.472 -5.720 22 H SER 6 H SER 6 -18.350 5.391 -2.682 23 HA SER 6 HA SER 6 -15.687 4.949 -2.116 24 HB2 SER 6 1HB SER 6 -17.917 2.906 -1.950 25 HB3 SER 6 2HB SER 6 -16.389 2.850 -1.071 26 HG SER 6 HG SER 6 -17.925 5.155 -0.804 27 H GLY 7 H GLY 7 -14.418 2.925 -2.494 28 HA2 GLY 7 1HA GLY 7 -14.947 1.446 -4.912 29 HA3 GLY 7 2HA GLY 7 -13.632 2.600 -5.073 30 H ASN 8 H ASN 8 -14.681 -0.380 -3.622 31 HA ASN 8 HA ASN 8 -12.318 -0.792 -2.060 32 HB2 ASN 8 1HB ASN 8 -13.256 -2.836 -1.434 33 HB3 ASN 8 2HB ASN 8 -14.675 -1.845 -1.759 34 HD21 ASN 8 1HD2 ASN 8 -12.641 -4.417 -2.947 35 HD22 ASN 8 2HD2 ASN 8 -13.772 -5.048 -4.090 36 H VAL 9 H VAL 9 -10.485 -1.891 -2.552 37 HA VAL 9 HA VAL 9 -10.297 -3.310 -5.097 38 HB VAL 9 HB VAL 9 -8.492 -1.011 -4.341 39 HG11 VAL 9 1HG1 VAL 9 -8.213 -2.819 -6.733 40 HG12 VAL 9 2HG1 VAL 9 -7.108 -1.550 -6.199 41 HG13 VAL 9 3HG1 VAL 9 -7.289 -3.024 -5.246 42 HG21 VAL 9 1HG2 VAL 9 -10.794 -0.724 -5.547 43 HG22 VAL 9 2HG2 VAL 9 -9.377 0.155 -6.119 44 HG23 VAL 9 3HG2 VAL 9 -9.904 -1.306 -6.954 45 H VAL 10 H VAL 10 -9.584 -5.253 -4.528 46 HA VAL 10 HA VAL 10 -7.455 -5.427 -2.495 47 HB VAL 10 HB VAL 10 -9.326 -7.692 -3.128 48 HG11 VAL 10 1HG1 VAL 10 -8.660 -8.507 -0.962 49 HG12 VAL 10 2HG1 VAL 10 -7.216 -8.130 -1.903 50 HG13 VAL 10 3HG1 VAL 10 -7.760 -7.026 -0.639 51 HG21 VAL 10 1HG2 VAL 10 -11.002 -6.424 -2.339 52 HG22 VAL 10 2HG2 VAL 10 -10.263 -6.716 -0.765 53 HG23 VAL 10 3HG2 VAL 10 -9.905 -5.230 -1.645 54 H LEU 11 H LEU 11 -5.602 -5.670 -3.590 55 HA LEU 11 HA LEU 11 -5.484 -7.149 -6.065 56 HB2 LEU 11 1HB LEU 11 -3.146 -6.122 -4.484 57 HB3 LEU 11 2HB LEU 11 -3.234 -6.448 -6.213 58 HG LEU 11 HG LEU 11 -4.720 -4.224 -4.820 59 HD11 LEU 11 1HD1 LEU 11 -2.430 -3.731 -6.645 60 HD12 LEU 11 2HD1 LEU 11 -2.085 -4.224 -4.988 61 HD13 LEU 11 3HD1 LEU 11 -3.032 -2.769 -5.295 62 HD21 LEU 11 1HD2 LEU 11 -4.238 -4.781 -7.745 63 HD22 LEU 11 2HD2 LEU 11 -5.103 -3.398 -7.075 64 HD23 LEU 11 3HD2 LEU 11 -5.761 -5.024 -6.890 65 HA PRO 12 HA PRO 12 -4.617 -11.064 -4.201 66 HB2 PRO 12 1HB PRO 12 -3.742 -12.331 -6.437 67 HB3 PRO 12 2HB PRO 12 -5.448 -11.985 -6.135 68 HG2 PRO 12 1HG PRO 12 -3.487 -10.500 -7.841 69 HG3 PRO 12 2HG PRO 12 -5.175 -10.921 -8.184 70 HD2 PRO 12 1HD PRO 12 -4.429 -8.453 -7.355 71 HD3 PRO 12 2HD PRO 12 -5.999 -9.168 -6.934 72 H GLY 13 H GLY 13 -2.901 -11.370 -2.928 73 HA2 GLY 13 1HA GLY 13 -0.217 -10.864 -4.050 74 HA3 GLY 13 2HA GLY 13 -0.627 -10.725 -2.347 75 HA PRO 14 HA PRO 14 0.655 -11.179 -0.990 76 HB2 PRO 14 1HB PRO 14 3.193 -11.973 -0.443 77 HB3 PRO 14 2HB PRO 14 1.784 -12.594 0.426 78 HG2 PRO 14 1HG PRO 14 3.319 -13.833 -1.826 79 HG3 PRO 14 2HG PRO 14 2.696 -14.589 -0.348 80 HD2 PRO 14 1HD PRO 14 1.438 -14.803 -2.736 81 HD3 PRO 14 2HD PRO 14 0.560 -14.774 -1.194 82 H ALA 15 H ALA 15 2.708 -9.739 -1.019 83 HA ALA 15 HA ALA 15 2.941 -8.486 -3.459 84 HB1 ALA 15 1HB ALA 15 4.200 -8.286 -0.886 85 HB2 ALA 15 2HB ALA 15 5.382 -8.025 -2.169 86 HB3 ALA 15 3HB ALA 15 3.924 -7.035 -2.097 87 HA PRO 16 HA PRO 16 5.115 -7.124 -3.961 88 HB2 PRO 16 1HB PRO 16 5.688 -6.604 -6.563 89 HB3 PRO 16 2HB PRO 16 6.933 -6.941 -5.354 90 HG2 PRO 16 1HG PRO 16 5.724 -8.773 -7.389 91 HG3 PRO 16 2HG PRO 16 7.423 -8.596 -6.912 92 HD2 PRO 16 1HD PRO 16 5.854 -10.604 -5.996 93 HD3 PRO 16 2HD PRO 16 7.159 -9.893 -5.024 94 H TRP 17 H TRP 17 3.972 -5.488 -5.520 95 HA TRP 17 HA TRP 17 1.410 -6.694 -6.338 96 HB2 TRP 17 1HB TRP 17 1.858 -3.864 -5.371 97 HB3 TRP 17 2HB TRP 17 0.311 -4.633 -5.711 98 HD1 TRP 17 HD TRP 17 2.509 -3.837 -2.901 99 HE1 TRP 17 1HE TRP 17 1.861 -5.183 -0.805 100 HE3 TRP 17 3HE TRP 17 -0.558 -7.300 -5.077 101 HZ2 TRP 17 2HZ TRP 17 0.262 -7.418 -0.160 102 HZ3 TRP 17 3HZ TRP 17 -1.607 -9.009 -3.650 103 HH2 TRP 17 HH TRP 17 -1.204 -9.065 -1.243 104 H GLY 18 H GLY 18 3.519 -3.886 -6.977 105 HA2 GLY 18 1HA GLY 18 4.339 -3.477 -9.214 106 HA3 GLY 18 2HA GLY 18 2.853 -4.181 -9.834 107 H PHE 19 H PHE 19 3.075 -1.838 -7.214 108 HA PHE 19 HA PHE 19 2.120 0.287 -8.973 109 HB2 PHE 19 1HB PHE 19 0.098 0.637 -7.933 110 HB3 PHE 19 2HB PHE 19 0.217 -1.113 -7.778 111 HD1 PHE 19 1HD PHE 19 0.533 2.088 -6.003 112 HD2 PHE 19 2HD PHE 19 0.480 -2.153 -5.651 113 HE1 PHE 19 1HE PHE 19 0.315 2.297 -3.561 114 HE2 PHE 19 2HE PHE 19 0.261 -1.951 -3.209 115 HZ PHE 19 HZ PHE 19 0.178 0.276 -2.160 116 H ARG 20 H ARG 20 2.768 2.295 -8.367 117 HA ARG 20 HA ARG 20 4.496 2.441 -6.004 118 HB2 ARG 20 1HB ARG 20 4.271 4.420 -8.274 119 HB3 ARG 20 2HB ARG 20 5.514 4.370 -7.032 120 HG2 ARG 20 1HG ARG 20 5.071 2.380 -9.245 121 HG3 ARG 20 2HG ARG 20 6.423 3.500 -9.061 122 HD2 ARG 20 1HD ARG 20 5.765 1.338 -7.071 123 HD3 ARG 20 2HD ARG 20 6.896 1.120 -8.405 124 HE ARG 20 HE ARG 20 7.440 3.377 -6.679 125 HH11 ARG 20 2HH1 ARG 20 8.041 0.016 -7.359 126 HH12 ARG 20 1HH1 ARG 20 9.540 -0.026 -6.492 127 HH21 ARG 20 2HH2 ARG 20 9.413 3.335 -5.535 128 HH22 ARG 20 1HH2 ARG 20 10.319 1.862 -5.454 129 H LEU 21 H LEU 21 4.555 4.776 -5.051 130 HA LEU 21 HA LEU 21 1.783 5.710 -4.698 131 HB2 LEU 21 1HB LEU 21 2.846 6.392 -2.349 132 HB3 LEU 21 2HB LEU 21 2.049 4.846 -2.633 133 HG LEU 21 HG LEU 21 4.254 3.801 -2.983 134 HD11 LEU 21 1HD1 LEU 21 5.398 5.869 -3.751 135 HD12 LEU 21 2HD1 LEU 21 6.285 4.981 -2.513 136 HD13 LEU 21 3HD1 LEU 21 5.394 6.441 -2.083 137 HD21 LEU 21 1HD2 LEU 21 3.044 4.212 -0.683 138 HD22 LEU 21 2HD2 LEU 21 4.462 5.212 -0.369 139 HD23 LEU 21 3HD2 LEU 21 4.656 3.500 -0.750 140 H SER 22 H SER 22 1.578 7.957 -4.017 141 HA SER 22 HA SER 22 3.901 9.649 -4.560 142 HB2 SER 22 1HB SER 22 2.178 9.217 -6.585 143 HB3 SER 22 2HB SER 22 1.356 10.560 -5.789 144 HG SER 22 HG SER 22 3.245 11.780 -6.006 145 H GLY 23 H GLY 23 3.806 11.712 -3.620 146 HA2 GLY 23 1HA GLY 23 3.005 13.388 -2.231 147 HA3 GLY 23 2HA GLY 23 1.459 12.554 -2.169 148 H GLY 24 H GLY 24 1.173 12.699 0.033 149 HA2 GLY 24 1HA GLY 24 1.665 10.822 1.775 150 HA3 GLY 24 2HA GLY 24 3.260 11.559 1.754 151 H ILE 25 H ILE 25 0.706 11.365 3.620 152 HA ILE 25 HA ILE 25 -0.312 13.824 4.218 153 HB ILE 25 HB ILE 25 -0.523 13.094 6.556 154 HG12 ILE 25 1HG1 ILE 25 0.823 10.507 5.924 155 HG13 ILE 25 2HG1 ILE 25 1.836 11.891 6.321 156 HG21 ILE 25 1HG2 ILE 25 -1.144 10.556 5.291 157 HG22 ILE 25 2HG2 ILE 25 -2.221 11.773 5.974 158 HG23 ILE 25 3HG2 ILE 25 -1.645 11.937 4.316 159 HD11 ILE 25 1HD1 ILE 25 1.511 10.763 8.339 160 HD12 ILE 25 2HD1 ILE 25 0.401 12.132 8.405 161 HD13 ILE 25 3HD1 ILE 25 -0.208 10.521 8.029 162 H ASP 26 H ASP 26 2.949 12.805 4.545 163 HA ASP 26 HA ASP 26 3.697 14.828 6.461 164 HB2 ASP 26 1HB ASP 26 4.994 12.836 6.527 165 HB3 ASP 26 2HB ASP 26 5.272 12.874 4.788 166 H PHE 27 H PHE 27 3.792 14.406 2.974 167 HA PHE 27 HA PHE 27 5.181 16.944 2.621 168 HB2 PHE 27 1HB PHE 27 4.234 14.889 0.614 169 HB3 PHE 27 2HB PHE 27 5.112 16.358 0.202 170 HD1 PHE 27 2HD PHE 27 7.457 16.643 0.970 171 HD2 PHE 27 1HD PHE 27 5.349 12.973 1.425 172 HE1 PHE 27 2HE PHE 27 9.589 15.465 1.314 173 HE2 PHE 27 1HE PHE 27 7.478 11.789 1.770 174 HZ PHE 27 HZ PHE 27 9.602 13.035 1.714 175 H ASN 28 H ASN 28 2.307 16.529 3.597 176 HA ASN 28 HA ASN 28 0.269 17.520 3.368 177 HB2 ASN 28 1HB ASN 28 2.013 19.492 3.374 178 HB3 ASN 28 2HB ASN 28 1.502 19.678 1.699 179 HD21 ASN 28 1HD2 ASN 28 0.048 19.168 4.897 180 HD22 ASN 28 2HD2 ASN 28 -1.229 20.311 4.684 181 H GLN 29 H GLN 29 0.727 15.522 1.510 182 HA GLN 29 HA GLN 29 -0.963 16.446 -0.686 183 HB2 GLN 29 1HB GLN 29 1.713 15.104 -1.005 184 HB3 GLN 29 2HB GLN 29 0.484 15.031 -2.260 185 HG2 GLN 29 1HG GLN 29 0.474 17.480 -2.376 186 HG3 GLN 29 2HG GLN 29 1.737 17.531 -1.147 187 HE21 GLN 29 1HE2 GLN 29 1.155 15.702 -4.137 188 HE22 GLN 29 2HE2 GLN 29 2.712 16.001 -4.823 189 HA PRO 30 HA PRO 30 -3.090 12.667 -0.005 190 HB2 PRO 30 1HB PRO 30 -4.121 12.218 -2.476 191 HB3 PRO 30 2HB PRO 30 -4.723 13.484 -1.400 192 HG2 PRO 30 1HG PRO 30 -2.827 13.702 -3.707 193 HG3 PRO 30 2HG PRO 30 -4.178 14.762 -3.265 194 HD2 PRO 30 1HD PRO 30 -1.602 15.373 -2.699 195 HD3 PRO 30 2HD PRO 30 -2.951 15.865 -1.655 196 H LEU 31 H LEU 31 -2.746 10.497 -0.097 197 HA LEU 31 HA LEU 31 -0.357 9.582 -1.425 198 HB2 LEU 31 1HB LEU 31 -2.358 8.293 0.404 199 HB3 LEU 31 2HB LEU 31 -1.083 7.361 -0.378 200 HG LEU 31 HG LEU 31 -0.627 9.681 1.497 201 HD11 LEU 31 1HD1 LEU 31 0.353 7.255 2.541 202 HD12 LEU 31 2HD1 LEU 31 -1.309 6.962 2.031 203 HD13 LEU 31 3HD1 LEU 31 -0.952 8.263 3.167 204 HD21 LEU 31 1HD2 LEU 31 1.251 7.711 0.200 205 HD22 LEU 31 2HD2 LEU 31 1.701 8.819 1.497 206 HD23 LEU 31 3HD2 LEU 31 1.184 9.453 -0.066 207 H VAL 32 H VAL 32 -0.692 9.533 -3.612 208 HA VAL 32 HA VAL 32 -2.825 7.737 -4.573 209 HB VAL 32 HB VAL 32 -2.712 8.961 -6.724 210 HG11 VAL 32 1HG1 VAL 32 -3.689 10.014 -4.193 211 HG12 VAL 32 2HG1 VAL 32 -3.441 11.268 -5.409 212 HG13 VAL 32 3HG1 VAL 32 -4.494 9.897 -5.757 213 HG21 VAL 32 1HG2 VAL 32 -1.625 11.375 -6.264 214 HG22 VAL 32 2HG2 VAL 32 -0.551 10.371 -5.290 215 HG23 VAL 32 3HG2 VAL 32 -0.746 10.041 -7.011 216 H ILE 33 H ILE 33 -2.193 6.990 -6.942 217 HA ILE 33 HA ILE 33 0.257 5.479 -6.621 218 HB ILE 33 HB ILE 33 -1.798 5.435 -8.834 219 HG12 ILE 33 1HG1 ILE 33 -1.325 3.289 -6.781 220 HG13 ILE 33 2HG1 ILE 33 -2.387 4.649 -6.434 221 HG21 ILE 33 1HG2 ILE 33 0.186 3.258 -8.368 222 HG22 ILE 33 2HG2 ILE 33 -0.671 3.703 -9.843 223 HG23 ILE 33 3HG2 ILE 33 0.672 4.693 -9.271 224 HD11 ILE 33 1HD1 ILE 33 -3.996 3.931 -7.859 225 HD12 ILE 33 2HD1 ILE 33 -2.845 3.162 -8.952 226 HD13 ILE 33 3HD1 ILE 33 -3.281 2.375 -7.435 227 H THR 34 H THR 34 2.121 5.756 -7.711 228 HA THR 34 HA THR 34 2.331 8.131 -9.410 229 HB THR 34 HB THR 34 4.895 7.301 -9.148 230 HG1 THR 34 1HG THR 34 5.025 6.680 -6.853 231 HG21 THR 34 1HG2 THR 34 4.102 8.750 -6.766 232 HG22 THR 34 2HG2 THR 34 3.315 9.388 -8.210 233 HG23 THR 34 3HG2 THR 34 5.074 9.285 -8.136 234 H ARG 35 H ARG 35 2.819 4.656 -9.452 235 HA ARG 35 HA ARG 35 2.840 4.700 -12.353 236 HB2 ARG 35 1HB ARG 35 5.169 3.759 -10.700 237 HB3 ARG 35 2HB ARG 35 4.860 3.090 -12.297 238 HG2 ARG 35 1HG ARG 35 5.184 6.033 -11.779 239 HG3 ARG 35 2HG ARG 35 6.522 4.964 -12.206 240 HD2 ARG 35 1HD ARG 35 5.635 4.522 -14.331 241 HD3 ARG 35 2HD ARG 35 4.041 5.131 -13.886 242 HE ARG 35 HE ARG 35 6.113 7.120 -13.776 243 HH11 ARG 35 2HH1 ARG 35 3.793 5.509 -15.811 244 HH12 ARG 35 1HH1 ARG 35 3.700 6.807 -16.955 245 HH21 ARG 35 2HH2 ARG 35 5.999 8.836 -15.275 246 HH22 ARG 35 1HH2 ARG 35 4.956 8.698 -16.650 247 H ILE 36 H ILE 36 2.580 2.545 -13.286 248 HA ILE 36 HA ILE 36 1.707 0.470 -11.421 249 HB ILE 36 HB ILE 36 -0.023 1.546 -13.649 250 HG12 ILE 36 1HG1 ILE 36 -0.033 2.822 -11.502 251 HG13 ILE 36 2HG1 ILE 36 -1.593 2.112 -11.904 252 HG21 ILE 36 1HG2 ILE 36 -0.414 -0.727 -13.779 253 HG22 ILE 36 2HG2 ILE 36 -0.153 -0.976 -12.054 254 HG23 ILE 36 3HG2 ILE 36 -1.638 -0.212 -12.619 255 HD11 ILE 36 1HD1 ILE 36 -1.033 0.230 -10.361 256 HD12 ILE 36 2HD1 ILE 36 0.386 1.151 -9.860 257 HD13 ILE 36 3HD1 ILE 36 -1.231 1.800 -9.584 258 H THR 37 H THR 37 1.972 -1.599 -12.162 259 HA THR 37 HA THR 37 3.697 -1.930 -14.443 260 HB THR 37 HB THR 37 2.462 -4.094 -12.733 261 HG1 THR 37 1HG THR 37 3.636 -2.881 -11.325 262 HG21 THR 37 1HG2 THR 37 4.543 -4.009 -14.848 263 HG22 THR 37 2HG2 THR 37 3.385 -5.278 -14.449 264 HG23 THR 37 3HG2 THR 37 4.834 -5.067 -13.468 265 HA PRO 38 HA PRO 38 0.219 -2.524 -17.203 266 HB2 PRO 38 1HB PRO 38 1.727 -2.754 -19.450 267 HB3 PRO 38 2HB PRO 38 1.357 -1.198 -18.696 268 HG2 PRO 38 1HG PRO 38 3.836 -2.864 -18.486 269 HG3 PRO 38 2HG PRO 38 3.681 -1.109 -18.691 270 HD2 PRO 38 1HD PRO 38 4.207 -2.255 -16.295 271 HD3 PRO 38 2HD PRO 38 3.266 -0.757 -16.451 272 H GLY 39 H GLY 39 -0.662 -4.505 -16.883 273 HA2 GLY 39 1HA GLY 39 -1.092 -6.681 -17.641 274 HA3 GLY 39 2HA GLY 39 0.524 -6.737 -18.329 275 H SER 40 H SER 40 -0.856 -6.289 -15.069 276 HA SER 40 HA SER 40 0.291 -8.719 -14.099 277 HB2 SER 40 1HB SER 40 2.100 -7.977 -12.883 278 HB3 SER 40 2HB SER 40 2.180 -6.856 -14.242 279 HG SER 40 HG SER 40 0.710 -5.538 -12.771 280 H LYS 41 H LYS 41 0.274 -8.515 -11.494 281 HA LYS 41 HA LYS 41 -2.372 -8.428 -10.721 282 HB2 LYS 41 1HB LYS 41 -0.008 -7.864 -8.925 283 HB3 LYS 41 2HB LYS 41 -1.583 -8.467 -8.428 284 HG2 LYS 41 1HG LYS 41 -0.056 -10.044 -10.426 285 HG3 LYS 41 2HG LYS 41 0.488 -10.068 -8.747 286 HD2 LYS 41 1HD LYS 41 -1.548 -10.971 -7.989 287 HD3 LYS 41 2HD LYS 41 -2.376 -10.582 -9.499 288 HE2 LYS 41 1HE LYS 41 -2.025 -12.843 -9.745 289 HE3 LYS 41 2HE LYS 41 -0.600 -12.183 -10.547 290 HZ1 LYS 41 1HZ LYS 41 -0.762 -13.835 -8.233 291 HZ2 LYS 41 2HZ LYS 41 0.118 -12.427 -7.913 292 HZ3 LYS 41 3HZ LYS 41 0.584 -13.446 -9.180 293 H ALA 42 H ALA 42 -0.124 -5.820 -11.075 294 HA ALA 42 HA ALA 42 -1.565 -3.927 -9.480 295 HB1 ALA 42 1HB ALA 42 -0.043 -2.280 -10.380 296 HB2 ALA 42 2HB ALA 42 0.853 -3.731 -9.927 297 HB3 ALA 42 3HB ALA 42 0.492 -3.411 -11.623 298 H ALA 43 H ALA 43 -0.867 -3.724 -12.965 299 HA ALA 43 HA ALA 43 -3.001 -2.001 -13.539 300 HB1 ALA 43 1HB ALA 43 -2.610 -2.832 -15.937 301 HB2 ALA 43 2HB ALA 43 -1.279 -2.022 -15.110 302 HB3 ALA 43 3HB ALA 43 -1.294 -3.781 -15.244 303 H ALA 44 H ALA 44 -2.718 -5.523 -13.925 304 HA ALA 44 HA ALA 44 -5.129 -6.079 -15.133 305 HB1 ALA 44 1HB ALA 44 -3.889 -7.761 -12.963 306 HB2 ALA 44 2HB ALA 44 -4.939 -8.302 -14.273 307 HB3 ALA 44 3HB ALA 44 -3.315 -7.716 -14.630 308 H ALA 45 H ALA 45 -4.538 -4.993 -11.907 309 HA ALA 45 HA ALA 45 -7.192 -5.739 -10.976 310 HB1 ALA 45 1HB ALA 45 -5.888 -5.964 -9.153 311 HB2 ALA 45 2HB ALA 45 -4.701 -4.791 -9.725 312 HB3 ALA 45 3HB ALA 45 -6.196 -4.237 -8.971 313 H ASN 46 H ASN 46 -6.596 -3.681 -13.142 314 HA ASN 46 HA ASN 46 -7.503 -1.727 -13.872 315 HB2 ASN 46 1HB ASN 46 -9.283 -1.731 -11.440 316 HB3 ASN 46 2HB ASN 46 -9.616 -1.069 -13.038 317 HD21 ASN 46 1HD2 ASN 46 -9.963 -3.712 -10.991 318 HD22 ASN 46 2HD2 ASN 46 -10.588 -4.840 -12.141 319 H LEU 47 H LEU 47 -5.226 -1.717 -12.066 320 HA LEU 47 HA LEU 47 -5.576 0.639 -10.407 321 HB2 LEU 47 1HB LEU 47 -3.152 -1.064 -10.961 322 HB3 LEU 47 2HB LEU 47 -3.207 0.272 -9.814 323 HG LEU 47 HG LEU 47 -4.883 -2.226 -9.594 324 HD11 LEU 47 1HD1 LEU 47 -2.826 -1.855 -7.590 325 HD12 LEU 47 2HD1 LEU 47 -2.148 -2.024 -9.209 326 HD13 LEU 47 3HD1 LEU 47 -3.214 -3.273 -8.564 327 HD21 LEU 47 1HD2 LEU 47 -4.271 -0.182 -7.476 328 HD22 LEU 47 2HD2 LEU 47 -5.495 -1.452 -7.456 329 HD23 LEU 47 3HD2 LEU 47 -5.682 -0.064 -8.529 330 H CYS 48 H CYS 48 -4.773 2.644 -10.812 331 HA CYS 48 HA CYS 48 -3.149 3.052 -13.213 332 HB2 CYS 48 1HB CYS 48 -5.190 3.560 -14.189 333 HB3 CYS 48 2HB CYS 48 -5.870 4.180 -12.690 334 HG CYS 48 HG CYS 48 -5.107 5.986 -15.070 335 HA PRO 49 HA PRO 49 -0.918 5.775 -10.573 336 HB2 PRO 49 1HB PRO 49 0.326 7.282 -12.458 337 HB3 PRO 49 2HB PRO 49 0.790 5.614 -12.102 338 HG2 PRO 49 1HG PRO 49 -0.920 6.672 -14.320 339 HG3 PRO 49 2HG PRO 49 0.350 5.435 -14.378 340 HD2 PRO 49 1HD PRO 49 -2.286 4.816 -14.316 341 HD3 PRO 49 2HD PRO 49 -1.045 3.786 -13.573 342 H GLY 50 H GLY 50 -2.701 6.903 -9.646 343 HA2 GLY 50 1HA GLY 50 -2.720 9.616 -9.795 344 HA3 GLY 50 2HA GLY 50 -3.879 9.143 -11.028 345 H ASP 51 H ASP 51 -4.676 6.752 -9.452 346 HA ASP 51 HA ASP 51 -6.908 7.797 -8.164 347 HB2 ASP 51 1HB ASP 51 -5.549 5.151 -8.205 348 HB3 ASP 51 2HB ASP 51 -6.724 5.435 -6.924 349 H VAL 52 H VAL 52 -7.474 7.920 -5.935 350 HA VAL 52 HA VAL 52 -5.224 8.743 -4.261 351 HB VAL 52 HB VAL 52 -8.177 9.063 -3.717 352 HG11 VAL 52 1HG1 VAL 52 -5.949 9.377 -2.055 353 HG12 VAL 52 2HG1 VAL 52 -6.440 11.010 -2.507 354 HG13 VAL 52 3HG1 VAL 52 -7.599 9.918 -1.749 355 HG21 VAL 52 1HG2 VAL 52 -8.086 10.501 -5.443 356 HG22 VAL 52 2HG2 VAL 52 -7.273 11.556 -4.287 357 HG23 VAL 52 3HG2 VAL 52 -6.324 10.586 -5.414 358 H ILE 53 H ILE 53 -4.769 7.863 -2.273 359 HA ILE 53 HA ILE 53 -6.024 5.262 -1.733 360 HB ILE 53 HB ILE 53 -3.390 6.359 -0.742 361 HG12 ILE 53 1HG1 ILE 53 -3.623 5.730 -3.215 362 HG13 ILE 53 2HG1 ILE 53 -2.319 4.963 -2.315 363 HG21 ILE 53 1HG2 ILE 53 -3.321 3.660 -0.358 364 HG22 ILE 53 2HG2 ILE 53 -3.693 4.852 0.887 365 HG23 ILE 53 3HG2 ILE 53 -5.000 4.040 0.026 366 HD11 ILE 53 1HD1 ILE 53 -4.596 3.308 -2.088 367 HD12 ILE 53 2HD1 ILE 53 -4.416 3.753 -3.785 368 HD13 ILE 53 3HD1 ILE 53 -3.079 2.986 -2.928 369 H LEU 54 H LEU 54 -7.725 5.597 -0.413 370 HA LEU 54 HA LEU 54 -7.692 7.561 1.680 371 HB2 LEU 54 1HB LEU 54 -9.644 5.343 1.082 372 HB3 LEU 54 2HB LEU 54 -9.893 6.618 2.272 373 HG LEU 54 HG LEU 54 -9.576 7.100 -0.688 374 HD11 LEU 54 1HD1 LEU 54 -12.060 6.872 1.002 375 HD12 LEU 54 2HD1 LEU 54 -11.593 5.846 -0.354 376 HD13 LEU 54 3HD1 LEU 54 -12.019 7.535 -0.632 377 HD21 LEU 54 1HD2 LEU 54 -10.148 9.323 -0.258 378 HD22 LEU 54 2HD2 LEU 54 -9.006 8.919 1.024 379 HD23 LEU 54 3HD2 LEU 54 -10.737 8.955 1.364 380 H ALA 55 H ALA 55 -7.591 4.015 1.542 381 HA ALA 55 HA ALA 55 -6.259 3.999 4.140 382 HB1 ALA 55 1HB ALA 55 -8.905 2.752 3.563 383 HB2 ALA 55 2HB ALA 55 -7.798 1.948 4.677 384 HB3 ALA 55 3HB ALA 55 -8.345 3.591 5.010 385 H ILE 56 H ILE 56 -4.817 2.337 4.407 386 HA ILE 56 HA ILE 56 -4.387 0.640 2.045 387 HB ILE 56 HB ILE 56 -2.453 1.426 4.229 388 HG12 ILE 56 1HG1 ILE 56 -2.412 2.160 1.298 389 HG13 ILE 56 2HG1 ILE 56 -3.114 3.190 2.541 390 HG21 ILE 56 1HG2 ILE 56 -2.418 -0.805 2.492 391 HG22 ILE 56 2HG2 ILE 56 -1.184 0.323 1.931 392 HG23 ILE 56 3HG2 ILE 56 -1.156 -0.258 3.596 393 HD11 ILE 56 1HD1 ILE 56 -0.429 2.363 3.222 394 HD12 ILE 56 2HD1 ILE 56 -0.496 3.200 1.671 395 HD13 ILE 56 3HD1 ILE 56 -1.127 3.980 3.121 396 H ASP 57 H ASP 57 -4.307 -1.545 2.200 397 HA ASP 57 HA ASP 57 -5.108 -3.535 3.073 398 HB2 ASP 57 1HB ASP 57 -3.480 -4.528 4.489 399 HB3 ASP 57 2HB ASP 57 -2.606 -3.377 3.482 400 H GLY 58 H GLY 58 -6.804 -1.523 3.935 401 HA2 GLY 58 1HA GLY 58 -8.539 -1.320 5.441 402 HA3 GLY 58 2HA GLY 58 -7.908 -2.729 6.282 403 H PHE 59 H PHE 59 -6.333 0.380 5.628 404 HA PHE 59 HA PHE 59 -6.566 1.178 8.402 405 HB2 PHE 59 1HB PHE 59 -3.919 0.433 7.159 406 HB3 PHE 59 2HB PHE 59 -4.048 1.459 8.584 407 HD1 PHE 59 2HD PHE 59 -6.031 0.258 10.229 408 HD2 PHE 59 1HD PHE 59 -3.131 -1.634 7.754 409 HE1 PHE 59 2HE PHE 59 -6.119 -1.741 11.660 410 HE2 PHE 59 1HE PHE 59 -3.215 -3.637 9.181 411 HZ PHE 59 HZ PHE 59 -4.709 -3.692 11.138 412 H GLY 60 H GLY 60 -7.370 3.157 8.024 413 HA2 GLY 60 1HA GLY 60 -6.977 4.780 5.829 414 HA3 GLY 60 2HA GLY 60 -7.394 5.376 7.429 415 H THR 61 H THR 61 -5.626 6.471 5.297 416 HA THR 61 HA THR 61 -2.991 6.366 6.542 417 HB THR 61 HB THR 61 -2.182 7.597 4.631 418 HG1 THR 61 1HG THR 61 -4.933 8.029 4.182 419 HG21 THR 61 1HG2 THR 61 -3.578 5.106 4.423 420 HG22 THR 61 2HG2 THR 61 -2.136 5.644 3.562 421 HG23 THR 61 3HG2 THR 61 -3.736 5.991 2.906 422 H GLU 62 H GLU 62 -4.988 7.554 8.124 423 HA GLU 62 HA GLU 62 -5.024 10.377 7.899 424 HB2 GLU 62 1HB GLU 62 -5.927 10.353 10.178 425 HB3 GLU 62 2HB GLU 62 -6.727 9.163 9.160 426 HG2 GLU 62 1HG GLU 62 -4.421 8.363 10.879 427 HG3 GLU 62 2HG GLU 62 -6.034 8.531 11.568 428 H SER 63 H SER 63 -2.865 8.108 9.452 429 HA SER 63 HA SER 63 -1.070 10.340 10.096 430 HB2 SER 63 1HB SER 63 -2.277 9.549 12.157 431 HB3 SER 63 2HB SER 63 -1.507 7.978 11.935 432 HG SER 63 HG SER 63 0.469 9.588 11.814 433 H MET 64 H MET 64 -1.151 8.426 7.886 434 HA MET 64 HA MET 64 1.341 6.943 8.400 435 HB2 MET 64 1HB MET 64 -0.139 5.293 7.766 436 HB3 MET 64 2HB MET 64 -1.048 6.365 6.708 437 HG2 MET 64 1HG MET 64 0.354 6.045 4.941 438 HG3 MET 64 2HG MET 64 1.748 5.711 5.966 439 HE1 MET 64 1HE MET 64 -1.861 4.030 5.033 440 HE2 MET 64 2HE MET 64 -1.596 2.597 6.027 441 HE3 MET 64 3HE MET 64 -1.590 4.198 6.768 442 H THR 65 H THR 65 2.942 8.297 7.804 443 HA THR 65 HA THR 65 2.759 10.119 5.629 444 HB THR 65 HB THR 65 5.088 10.600 6.009 445 HG1 THR 65 1HG THR 65 6.392 9.082 6.678 446 HG21 THR 65 1HG2 THR 65 3.864 9.995 8.699 447 HG22 THR 65 2HG2 THR 65 3.396 11.368 7.697 448 HG23 THR 65 3HG2 THR 65 5.044 11.246 8.312 449 H HIS 66 H HIS 66 4.389 10.107 3.818 450 HA HIS 66 HA HIS 66 3.959 8.098 2.034 451 HB2 HIS 66 1HB HIS 66 5.277 10.400 1.863 452 HB3 HIS 66 2HB HIS 66 6.673 9.335 2.000 453 HD1 HIS 66 1HD HIS 66 3.462 8.826 0.026 454 HD2 HIS 66 2HD HIS 66 7.565 9.133 -0.550 455 HE1 HIS 66 1HE HIS 66 3.834 8.369 -2.418 456 HE2 HIS 66 2HE HIS 66 6.331 8.477 -2.726 457 H ALA 67 H ALA 67 6.889 8.385 4.050 458 HA ALA 67 HA ALA 67 8.112 6.012 3.319 459 HB1 ALA 67 1HB ALA 67 8.182 7.192 6.090 460 HB2 ALA 67 2HB ALA 67 9.410 6.191 5.315 461 HB3 ALA 67 3HB ALA 67 9.103 7.824 4.725 462 H ASP 68 H ASP 68 5.742 6.579 5.899 463 HA ASP 68 HA ASP 68 5.722 4.024 7.009 464 HB2 ASP 68 1HB ASP 68 3.724 6.247 6.866 465 HB3 ASP 68 2HB ASP 68 3.220 4.682 7.500 466 H ALA 69 H ALA 69 3.903 5.331 4.272 467 HA ALA 69 HA ALA 69 2.235 3.127 3.818 468 HB1 ALA 69 1HB ALA 69 3.322 5.120 1.832 469 HB2 ALA 69 2HB ALA 69 1.968 4.024 1.549 470 HB3 ALA 69 3HB ALA 69 1.841 5.285 2.776 471 H GLN 70 H GLN 70 5.385 3.941 2.369 472 HA GLN 70 HA GLN 70 5.628 1.756 0.675 473 HB2 GLN 70 1HB GLN 70 8.027 2.804 2.128 474 HB3 GLN 70 2HB GLN 70 7.866 2.332 0.441 475 HG2 GLN 70 1HG GLN 70 6.204 4.391 0.408 476 HG3 GLN 70 2HG GLN 70 7.205 4.896 1.769 477 HE21 GLN 70 1HE2 GLN 70 6.906 6.005 -0.946 478 HE22 GLN 70 2HE2 GLN 70 8.502 6.051 -1.604 479 H ASP 71 H ASP 71 6.271 2.025 4.117 480 HA ASP 71 HA ASP 71 7.440 -0.605 4.297 481 HB2 ASP 71 1HB ASP 71 6.835 1.608 6.194 482 HB3 ASP 71 2HB ASP 71 6.961 -0.018 6.859 483 H ARG 72 H ARG 72 4.310 0.611 4.106 484 HA ARG 72 HA ARG 72 3.129 -1.585 5.632 485 HB2 ARG 72 1HB ARG 72 2.157 1.023 4.586 486 HB3 ARG 72 2HB ARG 72 0.983 -0.280 4.713 487 HG2 ARG 72 1HG ARG 72 2.711 0.268 7.062 488 HG3 ARG 72 2HG ARG 72 1.416 1.408 6.692 489 HD2 ARG 72 1HD ARG 72 -0.177 -0.498 6.662 490 HD3 ARG 72 2HD ARG 72 1.138 -1.555 7.176 491 HE ARG 72 HE ARG 72 -0.289 0.372 8.796 492 HH11 ARG 72 2HH1 ARG 72 2.525 -1.652 8.470 493 HH12 ARG 72 1HH1 ARG 72 2.859 -1.684 10.170 494 HH21 ARG 72 2HH2 ARG 72 0.140 0.337 11.036 495 HH22 ARG 72 1HH2 ARG 72 1.501 -0.554 11.628 496 H ILE 73 H ILE 73 3.520 -0.423 2.353 497 HA ILE 73 HA ILE 73 1.691 -2.291 1.183 498 HB ILE 73 HB ILE 73 3.890 -0.663 -0.096 499 HG12 ILE 73 1HG1 ILE 73 0.958 -0.113 -0.363 500 HG13 ILE 73 2HG1 ILE 73 1.807 0.425 1.082 501 HG21 ILE 73 1HG2 ILE 73 3.083 -1.269 -2.193 502 HG22 ILE 73 2HG2 ILE 73 3.043 -2.781 -1.288 503 HG23 ILE 73 3HG2 ILE 73 1.557 -1.865 -1.539 504 HD11 ILE 73 1HD1 ILE 73 3.451 1.307 -0.905 505 HD12 ILE 73 2HD1 ILE 73 1.853 1.489 -1.629 506 HD13 ILE 73 3HD1 ILE 73 2.219 2.270 -0.091 507 H LYS 74 H LYS 74 5.210 -2.121 1.558 508 HA LYS 74 HA LYS 74 5.769 -4.503 0.125 509 HB2 LYS 74 1HB LYS 74 7.997 -4.309 0.976 510 HB3 LYS 74 2HB LYS 74 7.420 -2.684 0.628 511 HG2 LYS 74 1HG LYS 74 7.153 -2.172 2.900 512 HG3 LYS 74 2HG LYS 74 7.258 -3.867 3.380 513 HD2 LYS 74 1HD LYS 74 9.623 -3.860 2.539 514 HD3 LYS 74 2HD LYS 74 9.474 -2.113 2.332 515 HE2 LYS 74 1HE LYS 74 8.946 -1.902 4.730 516 HE3 LYS 74 2HE LYS 74 9.168 -3.641 4.915 517 HZ1 LYS 74 1HZ LYS 74 11.408 -3.471 4.734 518 HZ2 LYS 74 2HZ LYS 74 11.102 -1.937 5.379 519 HZ3 LYS 74 3HZ LYS 74 11.356 -2.120 3.716 520 H ALA 75 H ALA 75 4.982 -3.816 3.469 521 HA ALA 75 HA ALA 75 5.441 -6.602 4.225 522 HB1 ALA 75 1HB ALA 75 6.267 -4.815 5.707 523 HB2 ALA 75 2HB ALA 75 4.606 -4.275 5.950 524 HB3 ALA 75 3HB ALA 75 5.103 -5.873 6.506 525 H ALA 76 H ALA 76 3.165 -5.439 2.512 526 HA ALA 76 HA ALA 76 0.733 -5.571 3.838 527 HB1 ALA 76 1HB ALA 76 -0.214 -6.217 1.609 528 HB2 ALA 76 2HB ALA 76 0.802 -4.775 1.596 529 HB3 ALA 76 3HB ALA 76 1.441 -6.310 1.006 530 H SER 77 H SER 77 -0.905 -7.446 2.981 531 HA SER 77 HA SER 77 0.264 -9.963 3.973 532 HB2 SER 77 1HB SER 77 -2.449 -8.727 4.357 533 HB3 SER 77 2HB SER 77 -2.229 -10.469 4.520 534 HG SER 77 HG SER 77 -0.867 -8.448 5.977 535 H TYR 78 H TYR 78 -1.310 -11.873 3.283 536 HA TYR 78 HA TYR 78 -0.871 -12.576 0.736 537 HB2 TYR 78 1HB TYR 78 -1.862 -14.224 2.066 538 HB3 TYR 78 2HB TYR 78 -3.211 -13.187 2.516 539 HD1 TYR 78 1HD TYR 78 -4.955 -12.648 0.757 540 HD2 TYR 78 2HD TYR 78 -2.025 -15.689 0.233 541 HE1 TYR 78 1HE TYR 78 -6.328 -13.657 -1.016 542 HE2 TYR 78 2HE TYR 78 -3.390 -16.705 -1.543 543 HH TYR 78 HH TYR 78 -6.604 -15.936 -2.058 544 H GLN 79 H GLN 79 -3.441 -10.440 1.822 545 HA GLN 79 HA GLN 79 -3.963 -9.753 -0.989 546 HB2 GLN 79 1HB GLN 79 -6.353 -9.462 -0.442 547 HB3 GLN 79 2HB GLN 79 -5.818 -11.125 -0.239 548 HG2 GLN 79 1HG GLN 79 -5.564 -10.639 2.209 549 HG3 GLN 79 2HG GLN 79 -6.362 -9.096 1.908 550 HE21 GLN 79 1HE2 GLN 79 -8.532 -9.131 1.104 551 HE22 GLN 79 2HE2 GLN 79 -9.565 -10.470 1.457 552 H LEU 80 H LEU 80 -3.696 -7.663 -1.397 553 HA LEU 80 HA LEU 80 -3.433 -5.811 0.844 554 HB2 LEU 80 1HB LEU 80 -1.650 -5.864 -0.812 555 HB3 LEU 80 2HB LEU 80 -2.805 -5.485 -2.087 556 HG LEU 80 HG LEU 80 -3.196 -3.283 -1.007 557 HD11 LEU 80 1HD1 LEU 80 -0.848 -4.042 0.722 558 HD12 LEU 80 2HD1 LEU 80 -2.522 -3.953 1.269 559 HD13 LEU 80 3HD1 LEU 80 -1.698 -2.497 0.711 560 HD21 LEU 80 1HD2 LEU 80 -0.422 -4.032 -1.896 561 HD22 LEU 80 2HD2 LEU 80 -0.904 -2.365 -1.577 562 HD23 LEU 80 3HD2 LEU 80 -1.713 -3.291 -2.842 563 H CYS 81 H CYS 81 -5.153 -4.696 1.462 564 HA CYS 81 HA CYS 81 -7.285 -4.154 -0.473 565 HB2 CYS 81 1HB CYS 81 -7.162 -4.435 2.487 566 HB3 CYS 81 2HB CYS 81 -8.366 -3.332 1.832 567 HG CYS 81 HG CYS 81 -9.509 -5.859 2.416 568 H LEU 82 H LEU 82 -7.141 -2.273 -1.493 569 HA LEU 82 HA LEU 82 -6.297 0.092 0.049 570 HB2 LEU 82 1HB LEU 82 -5.734 -0.565 -2.837 571 HB3 LEU 82 2HB LEU 82 -5.417 1.002 -2.095 572 HG LEU 82 HG LEU 82 -4.154 -1.524 -1.066 573 HD11 LEU 82 1HD1 LEU 82 -3.641 -0.167 -3.571 574 HD12 LEU 82 2HD1 LEU 82 -2.996 -1.689 -2.956 575 HD13 LEU 82 3HD1 LEU 82 -2.226 -0.164 -2.517 576 HD21 LEU 82 1HD2 LEU 82 -3.083 -0.180 0.350 577 HD22 LEU 82 2HD2 LEU 82 -4.235 1.073 -0.114 578 HD23 LEU 82 3HD2 LEU 82 -2.673 0.965 -0.926 579 H LYS 83 H LYS 83 -7.946 1.425 0.333 580 HA LYS 83 HA LYS 83 -10.234 1.352 -1.450 581 HB2 LYS 83 1HB LYS 83 -10.525 1.451 1.013 582 HB3 LYS 83 2HB LYS 83 -9.761 3.035 1.018 583 HG2 LYS 83 1HG LYS 83 -11.644 3.631 -0.687 584 HG3 LYS 83 2HG LYS 83 -12.452 2.232 0.023 585 HD2 LYS 83 1HD LYS 83 -11.286 4.366 1.772 586 HD3 LYS 83 2HD LYS 83 -12.873 4.583 1.030 587 HE2 LYS 83 1HE LYS 83 -13.835 2.933 2.285 588 HE3 LYS 83 2HE LYS 83 -12.332 2.024 2.440 589 HZ1 LYS 83 1HZ LYS 83 -11.884 3.020 4.357 590 HZ2 LYS 83 2HZ LYS 83 -13.455 3.645 4.337 591 HZ3 LYS 83 3HZ LYS 83 -12.173 4.564 3.727 592 H ILE 84 H ILE 84 -10.833 2.916 -2.862 593 HA ILE 84 HA ILE 84 -9.101 5.293 -3.056 594 HB ILE 84 HB ILE 84 -9.468 5.228 -5.520 595 HG12 ILE 84 1HG1 ILE 84 -10.020 2.696 -6.211 596 HG13 ILE 84 2HG1 ILE 84 -10.971 2.786 -4.733 597 HG21 ILE 84 1HG2 ILE 84 -7.836 3.451 -5.953 598 HG22 ILE 84 2HG2 ILE 84 -7.394 4.416 -4.545 599 HG23 ILE 84 3HG2 ILE 84 -8.104 2.817 -4.329 600 HD11 ILE 84 1HD1 ILE 84 -12.337 4.478 -5.585 601 HD12 ILE 84 2HD1 ILE 84 -11.214 4.844 -6.896 602 HD13 ILE 84 3HD1 ILE 84 -12.137 3.341 -6.919 603 H ASP 85 H ASP 85 -10.072 7.220 -3.759 604 HA ASP 85 HA ASP 85 -12.907 7.387 -3.148 605 HB2 ASP 85 1HB ASP 85 -11.198 9.020 -2.254 606 HB3 ASP 85 2HB ASP 85 -11.042 9.644 -3.894 607 H ARG 86 H ARG 86 -11.624 6.289 -5.734 608 HA ARG 86 HA ARG 86 -11.868 6.508 -8.020 609 HB2 ARG 86 1HB ARG 86 -14.079 5.604 -6.849 610 HB3 ARG 86 2HB ARG 86 -14.748 7.084 -7.525 611 HG2 ARG 86 1HG ARG 86 -13.156 5.333 -9.315 612 HG3 ARG 86 2HG ARG 86 -14.775 4.806 -8.852 613 HD2 ARG 86 1HD ARG 86 -15.664 6.976 -9.631 614 HD3 ARG 86 2HD ARG 86 -14.043 7.420 -10.165 615 HE ARG 86 HE ARG 86 -15.860 5.570 -11.447 616 HH11 ARG 86 2HH1 ARG 86 -12.583 6.712 -11.166 617 HH12 ARG 86 1HH1 ARG 86 -12.106 6.125 -12.725 618 HH21 ARG 86 2HH2 ARG 86 -15.244 4.792 -13.501 619 HH22 ARG 86 1HH2 ARG 86 -13.621 5.034 -14.053 620 H ALA 87 H ALA 87 -10.874 8.871 -7.232 621 HA ALA 87 HA ALA 87 -12.582 10.920 -8.475 622 HB1 ALA 87 1HB ALA 87 -11.189 12.568 -7.330 623 HB2 ALA 87 2HB ALA 87 -11.893 11.422 -6.189 624 HB3 ALA 87 3HB ALA 87 -10.200 11.271 -6.658 625 H GLU 88 H GLU 88 -12.153 10.921 -10.609 626 HA GLU 88 HA GLU 88 -9.441 10.571 -11.578 627 HB2 GLU 88 1HB GLU 88 -10.463 10.674 -13.815 628 HB3 GLU 88 2HB GLU 88 -11.247 9.481 -12.789 629 HG2 GLU 88 1HG GLU 88 -13.133 10.868 -12.457 630 HG3 GLU 88 2HG GLU 88 -12.318 12.261 -13.165 631 H THR 89 H THR 89 -11.916 13.098 -11.493 632 HA THR 89 HA THR 89 -10.084 15.021 -12.690 633 HB THR 89 HB THR 89 -12.201 16.546 -12.110 634 HG1 THR 89 1HG THR 89 -13.140 14.498 -11.128 635 HG21 THR 89 1HG2 THR 89 -12.503 16.545 -14.337 636 HG22 THR 89 2HG2 THR 89 -12.808 14.808 -14.388 637 HG23 THR 89 3HG2 THR 89 -11.152 15.414 -14.371 638 H ARG 90 H ARG 90 -11.171 14.023 -9.592 639 HA ARG 90 HA ARG 90 -11.105 15.059 -7.514 640 HB2 ARG 90 1HB ARG 90 -8.267 15.418 -8.491 641 HB3 ARG 90 2HB ARG 90 -8.788 15.345 -6.814 642 HG2 ARG 90 1HG ARG 90 -9.294 13.060 -6.954 643 HG3 ARG 90 2HG ARG 90 -9.255 13.077 -8.719 644 HD2 ARG 90 1HD ARG 90 -6.762 13.873 -8.271 645 HD3 ARG 90 2HD ARG 90 -7.022 13.001 -6.761 646 HE ARG 90 HE ARG 90 -7.058 11.015 -7.935 647 HH11 ARG 90 2HH1 ARG 90 -7.088 13.712 -10.136 648 HH12 ARG 90 1HH1 ARG 90 -6.776 12.740 -11.537 649 HH21 ARG 90 2HH2 ARG 90 -6.647 9.725 -9.771 650 HH22 ARG 90 1HH2 ARG 90 -6.527 10.472 -11.328 651 H LEU 91 H LEU 91 -12.275 16.902 -9.075 652 HA LEU 91 HA LEU 91 -10.820 19.388 -9.066 653 HB2 LEU 91 1HB LEU 91 -12.786 20.355 -10.015 654 HB3 LEU 91 2HB LEU 91 -12.492 18.803 -10.797 655 HG LEU 91 HG LEU 91 -14.418 18.937 -8.522 656 HD11 LEU 91 1HD1 LEU 91 -16.040 20.016 -9.628 657 HD12 LEU 91 2HD1 LEU 91 -15.593 19.309 -11.180 658 HD13 LEU 91 3HD1 LEU 91 -14.714 20.707 -10.563 659 HD21 LEU 91 1HD2 LEU 91 -14.250 16.765 -9.178 660 HD22 LEU 91 2HD2 LEU 91 -13.823 17.181 -10.838 661 HD23 LEU 91 3HD2 LEU 91 -15.501 17.294 -10.303 662 H TRP 92 H TRP 92 -13.299 17.844 -7.112 663 HA TRP 92 HA TRP 92 -13.490 20.201 -5.394 664 HB2 TRP 92 1HB TRP 92 -15.451 18.603 -6.229 665 HB3 TRP 92 2HB TRP 92 -14.988 17.695 -4.791 666 HD1 TRP 92 HD TRP 92 -14.985 19.257 -2.431 667 HE1 TRP 92 1HE TRP 92 -16.721 21.017 -1.716 668 HE3 TRP 92 3HE TRP 92 -17.063 20.249 -6.996 669 HZ2 TRP 92 2HZ TRP 92 -18.709 22.615 -2.926 670 HZ3 TRP 92 3HZ TRP 92 -18.877 21.905 -7.131 671 HH2 TRP 92 HH TRP 92 -19.682 23.062 -5.137 672 H SER 93 H SER 93 -11.163 18.232 -5.606 673 HA SER 93 HA SER 93 -9.870 16.893 -4.218 674 HB2 SER 93 1HB SER 93 -10.304 19.323 -2.465 675 HB3 SER 93 2HB SER 93 -8.914 18.238 -2.436 676 HG SER 93 HG SER 93 -8.118 19.613 -3.814 677 HA PRO 94 HA PRO 94 -13.490 15.665 -1.433 678 HB2 PRO 94 1HB PRO 94 -14.060 13.312 -2.662 679 HB3 PRO 94 2HB PRO 94 -14.810 14.844 -3.125 680 HG2 PRO 94 1HG PRO 94 -12.516 13.400 -4.393 681 HG3 PRO 94 2HG PRO 94 -13.891 14.211 -5.165 682 HD2 PRO 94 1HD PRO 94 -11.445 15.357 -4.972 683 HD3 PRO 94 2HD PRO 94 -12.947 16.302 -4.936 684 H GLN 95 H GLN 95 -11.222 13.402 -3.015 685 HA GLN 95 HA GLN 95 -10.191 11.531 -2.118 686 HB2 GLN 95 1HB GLN 95 -9.232 13.813 -0.384 687 HB3 GLN 95 2HB GLN 95 -8.449 12.241 -0.477 688 HG2 GLN 95 1HG GLN 95 -7.631 12.614 -2.581 689 HG3 GLN 95 2HG GLN 95 -8.906 13.760 -2.992 690 HE21 GLN 95 1HE2 GLN 95 -7.854 15.557 -3.519 691 HE22 GLN 95 2HE2 GLN 95 -6.691 16.363 -2.528 692 H VAL 96 H VAL 96 -12.833 11.833 -1.044 693 HA VAL 96 HA VAL 96 -12.431 10.426 1.490 694 HB VAL 96 HB VAL 96 -14.223 12.821 1.121 695 HG11 VAL 96 1HG1 VAL 96 -15.738 11.696 2.336 696 HG12 VAL 96 2HG1 VAL 96 -14.571 10.471 2.837 697 HG13 VAL 96 3HG1 VAL 96 -14.651 12.015 3.687 698 HG21 VAL 96 1HG2 VAL 96 -12.631 13.894 2.234 699 HG22 VAL 96 2HG2 VAL 96 -12.804 12.771 3.583 700 HG23 VAL 96 3HG2 VAL 96 -11.666 12.418 2.283 701 H SER 97 H SER 97 -13.810 8.756 1.810 702 HA SER 97 HA SER 97 -16.369 8.526 0.621 703 HB2 SER 97 1HB SER 97 -14.048 7.366 -0.839 704 HB3 SER 97 2HB SER 97 -15.511 6.386 -0.737 705 HG SER 97 HG SER 97 -15.771 7.618 -2.527 706 H SER 98 H SER 98 -17.417 7.456 2.146 707 HA SER 98 HA SER 98 -16.038 5.683 3.953 708 HB2 SER 98 1HB SER 98 -18.061 7.339 4.393 709 HB3 SER 98 2HB SER 98 -19.016 5.925 3.947 710 HG SER 98 HG SER 98 -17.697 4.789 5.570 711 H GLY 99 H GLY 99 -15.385 4.026 2.482 712 HA2 GLY 99 1HA GLY 99 -17.167 2.551 0.872 713 HA3 GLY 99 2HA GLY 99 -15.595 1.998 1.429 714 HA PRO 100 HA PRO 100 -19.342 0.019 3.731 715 HB2 PRO 100 1HB PRO 100 -19.941 -2.067 2.100 716 HB3 PRO 100 2HB PRO 100 -20.742 -0.496 1.983 717 HG2 PRO 100 1HG PRO 100 -18.499 -1.605 0.340 718 HG3 PRO 100 2HG PRO 100 -19.929 -0.698 -0.186 719 HD2 PRO 100 1HD PRO 100 -17.496 0.456 0.098 720 HD3 PRO 100 2HD PRO 100 -19.010 1.334 0.395 721 H SER 101 H SER 101 -17.854 -0.659 5.248 722 HA SER 101 HA SER 101 -16.154 -1.913 6.181 723 HB2 SER 101 1HB SER 101 -16.801 -4.338 6.257 724 HB3 SER 101 2HB SER 101 -18.105 -3.234 6.692 725 HG SER 101 HG SER 101 -19.006 -4.623 5.270 726 H SER 102 H SER 102 -15.238 -1.031 3.761 727 HA SER 102 HA SER 102 -14.465 -2.643 1.761 728 HB2 SER 102 1HB SER 102 -13.701 -0.205 2.424 729 HB3 SER 102 2HB SER 102 -12.281 -1.048 3.042 730 HG SER 102 HG SER 102 -12.396 -2.094 0.808 731 H GLY 103 H GLY 103 -12.853 -2.527 4.930 732 HA2 GLY 103 1HA GLY 103 -12.285 -4.776 5.850 733 HA3 GLY 103 2HA GLY 103 -11.609 -5.125 4.266 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -21.612 -1.934 6.141 2 HA2 GLY 1 1HA GLY 1 -21.241 -1.690 3.525 3 HA3 GLY 1 2HA GLY 1 -22.856 -1.012 3.669 4 H SER 2 H SER 2 -21.311 0.736 2.651 5 HA SER 2 HA SER 2 -20.673 2.577 4.840 6 HB2 SER 2 1HB SER 2 -18.579 3.242 3.834 7 HB3 SER 2 2HB SER 2 -18.558 1.492 4.050 8 HG SER 2 HG SER 2 -19.594 2.185 1.644 9 H SER 3 H SER 3 -21.171 4.686 4.447 10 HA SER 3 HA SER 3 -22.733 5.207 2.046 11 HB2 SER 3 1HB SER 3 -22.305 6.901 4.519 12 HB3 SER 3 2HB SER 3 -23.424 7.270 3.208 13 HG SER 3 HG SER 3 -23.514 5.042 4.962 14 H GLY 4 H GLY 4 -21.815 6.066 0.312 15 HA2 GLY 4 1HA GLY 4 -20.709 8.281 -0.329 16 HA3 GLY 4 2HA GLY 4 -19.387 7.701 0.674 17 H SER 5 H SER 5 -18.308 8.140 -1.491 18 HA SER 5 HA SER 5 -18.660 5.929 -3.379 19 HB2 SER 5 1HB SER 5 -16.963 8.421 -3.655 20 HB3 SER 5 2HB SER 5 -17.314 7.247 -4.923 21 HG SER 5 HG SER 5 -19.643 7.929 -4.102 22 H SER 6 H SER 6 -17.711 4.450 -1.768 23 HA SER 6 HA SER 6 -14.843 4.724 -1.334 24 HB2 SER 6 1HB SER 6 -16.689 2.511 -0.410 25 HB3 SER 6 2HB SER 6 -15.057 2.840 0.170 26 HG SER 6 HG SER 6 -15.780 4.468 1.338 27 H GLY 7 H GLY 7 -13.380 3.825 -2.620 28 HA2 GLY 7 1HA GLY 7 -14.280 1.773 -4.530 29 HA3 GLY 7 2HA GLY 7 -12.891 2.828 -4.751 30 H ASN 8 H ASN 8 -14.005 -0.182 -3.587 31 HA ASN 8 HA ASN 8 -11.747 -0.789 -1.931 32 HB2 ASN 8 1HB ASN 8 -12.653 -3.086 -1.931 33 HB3 ASN 8 2HB ASN 8 -13.889 -1.892 -1.546 34 HD21 ASN 8 1HD2 ASN 8 -12.648 -4.030 -4.019 35 HD22 ASN 8 2HD2 ASN 8 -14.097 -4.098 -4.957 36 H VAL 9 H VAL 9 -9.938 -1.973 -2.408 37 HA VAL 9 HA VAL 9 -9.599 -3.039 -5.104 38 HB VAL 9 HB VAL 9 -7.740 -0.976 -3.915 39 HG11 VAL 9 1HG1 VAL 9 -7.038 -3.137 -5.488 40 HG12 VAL 9 2HG1 VAL 9 -7.199 -1.811 -6.641 41 HG13 VAL 9 3HG1 VAL 9 -6.104 -1.658 -5.267 42 HG21 VAL 9 1HG2 VAL 9 -9.200 -0.859 -6.541 43 HG22 VAL 9 2HG2 VAL 9 -9.881 -0.213 -5.048 44 HG23 VAL 9 3HG2 VAL 9 -8.376 0.446 -5.688 45 H VAL 10 H VAL 10 -9.121 -5.092 -4.645 46 HA VAL 10 HA VAL 10 -7.099 -5.620 -2.564 47 HB VAL 10 HB VAL 10 -9.070 -7.673 -3.531 48 HG11 VAL 10 1HG1 VAL 10 -7.055 -8.372 -2.259 49 HG12 VAL 10 2HG1 VAL 10 -7.614 -7.387 -0.906 50 HG13 VAL 10 3HG1 VAL 10 -8.571 -8.766 -1.449 51 HG21 VAL 10 1HG2 VAL 10 -10.757 -6.601 -2.563 52 HG22 VAL 10 2HG2 VAL 10 -9.912 -6.724 -1.020 53 HG23 VAL 10 3HG2 VAL 10 -9.682 -5.304 -2.041 54 H LEU 11 H LEU 11 -5.227 -5.757 -3.680 55 HA LEU 11 HA LEU 11 -5.124 -7.202 -6.202 56 HB2 LEU 11 1HB LEU 11 -2.790 -5.996 -4.752 57 HB3 LEU 11 2HB LEU 11 -2.955 -6.333 -6.473 58 HG LEU 11 HG LEU 11 -4.403 -4.169 -4.947 59 HD11 LEU 11 1HD1 LEU 11 -1.973 -3.790 -5.283 60 HD12 LEU 11 2HD1 LEU 11 -2.994 -2.625 -6.124 61 HD13 LEU 11 3HD1 LEU 11 -2.229 -3.937 -7.021 62 HD21 LEU 11 1HD2 LEU 11 -5.872 -4.299 -6.621 63 HD22 LEU 11 2HD2 LEU 11 -4.842 -5.383 -7.556 64 HD23 LEU 11 3HD2 LEU 11 -4.593 -3.639 -7.641 65 HA PRO 12 HA PRO 12 -3.855 -11.008 -4.369 66 HB2 PRO 12 1HB PRO 12 -2.781 -12.163 -6.579 67 HB3 PRO 12 2HB PRO 12 -4.523 -11.993 -6.334 68 HG2 PRO 12 1HG PRO 12 -2.666 -10.304 -7.965 69 HG3 PRO 12 2HG PRO 12 -4.290 -10.891 -8.368 70 HD2 PRO 12 1HD PRO 12 -3.826 -8.367 -7.504 71 HD3 PRO 12 2HD PRO 12 -5.328 -9.240 -7.139 72 H GLY 13 H GLY 13 -2.167 -11.083 -3.020 73 HA2 GLY 13 1HA GLY 13 0.489 -10.317 -4.051 74 HA3 GLY 13 2HA GLY 13 0.008 -10.242 -2.362 75 HA PRO 14 HA PRO 14 1.445 -10.528 -1.073 76 HB2 PRO 14 1HB PRO 14 4.064 -11.072 -0.611 77 HB3 PRO 14 2HB PRO 14 2.752 -11.807 0.318 78 HG2 PRO 14 1HG PRO 14 4.315 -12.935 -1.973 79 HG3 PRO 14 2HG PRO 14 3.818 -13.721 -0.462 80 HD2 PRO 14 1HD PRO 14 2.502 -14.092 -2.800 81 HD3 PRO 14 2HD PRO 14 1.680 -14.119 -1.226 82 H ALA 15 H ALA 15 3.700 -9.138 -1.166 83 HA ALA 15 HA ALA 15 3.622 -7.810 -3.639 84 HB1 ALA 15 1HB ALA 15 4.838 -6.258 -2.591 85 HB2 ALA 15 2HB ALA 15 4.652 -7.264 -1.153 86 HB3 ALA 15 3HB ALA 15 6.097 -7.414 -2.153 87 HA PRO 16 HA PRO 16 5.448 -6.339 -4.484 88 HB2 PRO 16 1HB PRO 16 5.691 -6.020 -7.169 89 HB3 PRO 16 2HB PRO 16 7.080 -6.058 -6.077 90 HG2 PRO 16 1HG PRO 16 5.962 -8.239 -7.795 91 HG3 PRO 16 2HG PRO 16 7.654 -7.786 -7.523 92 HD2 PRO 16 1HD PRO 16 6.487 -9.881 -6.266 93 HD3 PRO 16 2HD PRO 16 7.761 -8.903 -5.509 94 H TRP 17 H TRP 17 3.887 -5.025 -5.888 95 HA TRP 17 HA TRP 17 1.464 -6.637 -6.315 96 HB2 TRP 17 1HB TRP 17 1.665 -3.667 -5.777 97 HB3 TRP 17 2HB TRP 17 0.186 -4.620 -5.861 98 HD1 TRP 17 HD TRP 17 2.649 -3.338 -3.431 99 HE1 TRP 17 1HE TRP 17 2.294 -4.421 -1.123 100 HE3 TRP 17 3HE TRP 17 -0.496 -7.134 -4.790 101 HZ2 TRP 17 2HZ TRP 17 0.870 -6.596 -0.024 102 HZ3 TRP 17 3HZ TRP 17 -1.308 -8.671 -3.049 103 HH2 TRP 17 HH TRP 17 -0.638 -8.407 -0.717 104 H GLY 18 H GLY 18 3.253 -3.853 -7.626 105 HA2 GLY 18 1HA GLY 18 3.677 -3.993 -10.078 106 HA3 GLY 18 2HA GLY 18 1.977 -4.411 -10.234 107 H PHE 19 H PHE 19 1.777 -2.292 -7.880 108 HA PHE 19 HA PHE 19 1.470 -0.022 -9.724 109 HB2 PHE 19 1HB PHE 19 -0.374 0.670 -8.534 110 HB3 PHE 19 2HB PHE 19 -0.479 -1.067 -8.273 111 HD1 PHE 19 2HD PHE 19 0.457 -2.016 -6.125 112 HD2 PHE 19 1HD PHE 19 -0.174 2.148 -6.739 113 HE1 PHE 19 2HE PHE 19 0.506 -1.654 -3.692 114 HE2 PHE 19 1HE PHE 19 -0.124 2.518 -4.307 115 HZ PHE 19 HZ PHE 19 0.215 0.616 -2.780 116 H ARG 20 H ARG 20 1.735 2.161 -8.666 117 HA ARG 20 HA ARG 20 4.005 2.108 -6.786 118 HB2 ARG 20 1HB ARG 20 3.613 4.294 -8.809 119 HB3 ARG 20 2HB ARG 20 5.074 3.845 -7.940 120 HG2 ARG 20 1HG ARG 20 3.757 2.263 -10.138 121 HG3 ARG 20 2HG ARG 20 5.233 3.221 -10.274 122 HD2 ARG 20 1HD ARG 20 5.974 1.673 -8.253 123 HD3 ARG 20 2HD ARG 20 4.779 0.591 -8.968 124 HE ARG 20 HE ARG 20 6.172 0.279 -10.776 125 HH11 ARG 20 2HH1 ARG 20 7.367 2.873 -8.787 126 HH12 ARG 20 1HH1 ARG 20 8.894 2.968 -9.601 127 HH21 ARG 20 2HH2 ARG 20 8.178 0.394 -11.856 128 HH22 ARG 20 1HH2 ARG 20 9.353 1.558 -11.347 129 H LEU 21 H LEU 21 4.305 4.432 -5.825 130 HA LEU 21 HA LEU 21 1.678 5.565 -5.149 131 HB2 LEU 21 1HB LEU 21 2.856 5.906 -2.811 132 HB3 LEU 21 2HB LEU 21 1.963 4.438 -3.201 133 HG LEU 21 HG LEU 21 4.063 3.285 -3.687 134 HD11 LEU 21 1HD1 LEU 21 5.381 5.159 -4.472 135 HD12 LEU 21 2HD1 LEU 21 6.203 4.357 -3.134 136 HD13 LEU 21 3HD1 LEU 21 5.357 5.880 -2.863 137 HD21 LEU 21 1HD2 LEU 21 4.219 2.717 -1.542 138 HD22 LEU 21 2HD2 LEU 21 3.086 4.025 -1.198 139 HD23 LEU 21 3HD2 LEU 21 4.823 4.312 -1.091 140 H SER 22 H SER 22 1.685 7.765 -4.539 141 HA SER 22 HA SER 22 4.181 9.245 -4.714 142 HB2 SER 22 1HB SER 22 3.326 9.043 -7.064 143 HB3 SER 22 2HB SER 22 1.878 9.913 -6.559 144 HG SER 22 HG SER 22 3.627 11.492 -5.745 145 H GLY 23 H GLY 23 4.170 11.079 -3.511 146 HA2 GLY 23 1HA GLY 23 3.184 12.945 -2.444 147 HA3 GLY 23 2HA GLY 23 1.610 12.181 -2.616 148 H GLY 24 H GLY 24 1.441 12.902 -0.328 149 HA2 GLY 24 1HA GLY 24 1.358 10.894 1.475 150 HA3 GLY 24 2HA GLY 24 3.017 11.455 1.620 151 H ILE 25 H ILE 25 0.723 11.523 3.517 152 HA ILE 25 HA ILE 25 -0.361 14.046 3.851 153 HB ILE 25 HB ILE 25 -0.535 13.517 6.258 154 HG12 ILE 25 1HG1 ILE 25 0.735 10.857 5.757 155 HG13 ILE 25 2HG1 ILE 25 1.771 12.238 6.097 156 HG21 ILE 25 1HG2 ILE 25 -1.317 10.926 5.314 157 HG22 ILE 25 2HG2 ILE 25 -2.322 12.317 5.719 158 HG23 ILE 25 3HG2 ILE 25 -1.670 12.145 4.090 159 HD11 ILE 25 1HD1 ILE 25 0.368 10.594 7.914 160 HD12 ILE 25 2HD1 ILE 25 1.405 11.979 8.257 161 HD13 ILE 25 3HD1 ILE 25 -0.325 12.213 8.007 162 H ASP 26 H ASP 26 2.870 12.926 4.492 163 HA ASP 26 HA ASP 26 3.651 15.115 6.150 164 HB2 ASP 26 1HB ASP 26 4.827 12.947 6.187 165 HB3 ASP 26 2HB ASP 26 5.365 13.218 4.531 166 H PHE 27 H PHE 27 3.837 14.415 2.700 167 HA PHE 27 HA PHE 27 5.247 16.894 2.161 168 HB2 PHE 27 1HB PHE 27 4.209 14.708 0.349 169 HB3 PHE 27 2HB PHE 27 5.039 16.148 -0.233 170 HD1 PHE 27 1HD PHE 27 5.421 13.085 1.784 171 HD2 PHE 27 2HD PHE 27 7.392 16.331 -0.139 172 HE1 PHE 27 1HE PHE 27 7.586 11.964 2.119 173 HE2 PHE 27 2HE PHE 27 9.559 15.215 0.192 174 HZ PHE 27 HZ PHE 27 9.659 13.029 1.321 175 H ASN 28 H ASN 28 2.379 16.656 3.213 176 HA ASN 28 HA ASN 28 0.369 17.695 2.948 177 HB2 ASN 28 1HB ASN 28 1.932 19.669 1.274 178 HB3 ASN 28 2HB ASN 28 0.444 19.971 2.166 179 HD21 ASN 28 1HD2 ASN 28 2.619 21.569 2.526 180 HD22 ASN 28 2HD2 ASN 28 3.284 21.312 4.100 181 H GLN 29 H GLN 29 0.796 15.604 1.150 182 HA GLN 29 HA GLN 29 -0.994 16.416 -0.991 183 HB2 GLN 29 1HB GLN 29 1.815 15.503 -1.405 184 HB3 GLN 29 2HB GLN 29 0.589 14.961 -2.543 185 HG2 GLN 29 1HG GLN 29 -0.012 17.310 -2.971 186 HG3 GLN 29 2HG GLN 29 1.285 17.814 -1.890 187 HE21 GLN 29 1HE2 GLN 29 0.602 16.045 -4.858 188 HE22 GLN 29 2HE2 GLN 29 2.131 16.347 -5.605 189 HA PRO 30 HA PRO 30 -2.768 12.494 -0.074 190 HB2 PRO 30 1HB PRO 30 -4.207 12.132 -2.348 191 HB3 PRO 30 2HB PRO 30 -4.670 13.286 -1.091 192 HG2 PRO 30 1HG PRO 30 -3.242 13.773 -3.677 193 HG3 PRO 30 2HG PRO 30 -4.545 14.711 -2.924 194 HD2 PRO 30 1HD PRO 30 -1.946 15.456 -2.785 195 HD3 PRO 30 2HD PRO 30 -3.106 15.791 -1.484 196 H LEU 31 H LEU 31 -2.259 10.383 -0.341 197 HA LEU 31 HA LEU 31 -0.091 9.690 -2.063 198 HB2 LEU 31 1HB LEU 31 -1.886 7.873 -0.464 199 HB3 LEU 31 2HB LEU 31 -0.309 7.465 -1.135 200 HG LEU 31 HG LEU 31 -0.537 9.690 0.848 201 HD11 LEU 31 1HD1 LEU 31 -1.754 7.615 1.684 202 HD12 LEU 31 2HD1 LEU 31 -0.456 8.249 2.695 203 HD13 LEU 31 3HD1 LEU 31 -0.174 6.830 1.687 204 HD21 LEU 31 1HD2 LEU 31 1.566 7.804 -0.132 205 HD22 LEU 31 2HD2 LEU 31 1.725 8.564 1.452 206 HD23 LEU 31 3HD2 LEU 31 1.610 9.562 0.001 207 H VAL 32 H VAL 32 -0.459 9.624 -4.197 208 HA VAL 32 HA VAL 32 -2.748 8.022 -5.141 209 HB VAL 32 HB VAL 32 -2.694 9.386 -7.218 210 HG11 VAL 32 1HG1 VAL 32 -4.390 10.359 -6.157 211 HG12 VAL 32 2HG1 VAL 32 -3.580 10.213 -4.596 212 HG13 VAL 32 3HG1 VAL 32 -3.256 11.603 -5.633 213 HG21 VAL 32 1HG2 VAL 32 -0.753 10.475 -7.546 214 HG22 VAL 32 2HG2 VAL 32 -1.508 11.738 -6.573 215 HG23 VAL 32 3HG2 VAL 32 -0.404 10.586 -5.821 216 H ILE 33 H ILE 33 -2.422 6.681 -6.942 217 HA ILE 33 HA ILE 33 0.067 5.388 -7.072 218 HB ILE 33 HB ILE 33 -2.141 5.308 -9.130 219 HG12 ILE 33 1HG1 ILE 33 -1.677 3.454 -6.788 220 HG13 ILE 33 2HG1 ILE 33 -2.849 4.767 -6.782 221 HG21 ILE 33 1HG2 ILE 33 0.438 4.095 -9.034 222 HG22 ILE 33 2HG2 ILE 33 -0.793 2.842 -8.887 223 HG23 ILE 33 3HG2 ILE 33 -0.814 3.941 -10.266 224 HD11 ILE 33 1HD1 ILE 33 -4.330 3.601 -7.976 225 HD12 ILE 33 2HD1 ILE 33 -3.097 2.951 -9.058 226 HD13 ILE 33 3HD1 ILE 33 -3.376 2.201 -7.486 227 H THR 34 H THR 34 1.824 5.650 -8.319 228 HA THR 34 HA THR 34 1.988 8.030 -9.962 229 HB THR 34 HB THR 34 4.237 7.936 -9.698 230 HG1 THR 34 1HG THR 34 5.421 6.147 -10.098 231 HG21 THR 34 1HG2 THR 34 2.928 7.138 -7.452 232 HG22 THR 34 2HG2 THR 34 4.651 7.509 -7.522 233 HG23 THR 34 3HG2 THR 34 4.103 5.838 -7.642 234 H ARG 35 H ARG 35 2.691 4.563 -10.436 235 HA ARG 35 HA ARG 35 1.799 4.822 -13.211 236 HB2 ARG 35 1HB ARG 35 4.471 3.727 -12.334 237 HB3 ARG 35 2HB ARG 35 3.772 3.401 -13.914 238 HG2 ARG 35 1HG ARG 35 4.131 6.213 -12.965 239 HG3 ARG 35 2HG ARG 35 5.480 5.314 -13.663 240 HD2 ARG 35 1HD ARG 35 4.025 4.854 -15.650 241 HD3 ARG 35 2HD ARG 35 2.841 5.964 -14.961 242 HE ARG 35 HE ARG 35 5.115 7.433 -15.029 243 HH11 ARG 35 2HH1 ARG 35 3.386 5.566 -17.405 244 HH12 ARG 35 1HH1 ARG 35 3.880 6.560 -18.736 245 HH21 ARG 35 2HH2 ARG 35 5.772 8.749 -16.773 246 HH22 ARG 35 1HH2 ARG 35 5.237 8.370 -18.375 247 H ILE 36 H ILE 36 1.214 2.808 -14.200 248 HA ILE 36 HA ILE 36 0.769 0.622 -12.275 249 HB ILE 36 HB ILE 36 -1.143 1.641 -14.377 250 HG12 ILE 36 1HG1 ILE 36 -1.236 2.935 -12.341 251 HG13 ILE 36 2HG1 ILE 36 -2.654 1.894 -12.403 252 HG21 ILE 36 1HG2 ILE 36 -1.137 -0.790 -14.384 253 HG22 ILE 36 2HG2 ILE 36 -1.360 -0.811 -12.635 254 HG23 ILE 36 3HG2 ILE 36 -2.633 -0.177 -13.679 255 HD11 ILE 36 1HD1 ILE 36 -0.223 1.643 -10.675 256 HD12 ILE 36 2HD1 ILE 36 -1.916 1.769 -10.198 257 HD13 ILE 36 3HD1 ILE 36 -1.317 0.287 -10.944 258 H THR 37 H THR 37 1.501 -1.303 -12.895 259 HA THR 37 HA THR 37 2.975 -1.665 -15.257 260 HB THR 37 HB THR 37 1.780 -3.892 -13.606 261 HG1 THR 37 1HG THR 37 4.041 -2.238 -13.130 262 HG21 THR 37 1HG2 THR 37 4.456 -4.348 -14.462 263 HG22 THR 37 2HG2 THR 37 3.510 -3.827 -15.857 264 HG23 THR 37 3HG2 THR 37 2.994 -5.224 -14.912 265 HA PRO 38 HA PRO 38 -0.503 -2.285 -18.007 266 HB2 PRO 38 1HB PRO 38 0.998 -2.507 -20.258 267 HB3 PRO 38 2HB PRO 38 0.624 -0.953 -19.502 268 HG2 PRO 38 1HG PRO 38 3.111 -2.608 -19.302 269 HG3 PRO 38 2HG PRO 38 2.947 -0.854 -19.506 270 HD2 PRO 38 1HD PRO 38 3.486 -1.998 -17.112 271 HD3 PRO 38 2HD PRO 38 2.539 -0.505 -17.264 272 H GLY 39 H GLY 39 -1.344 -4.281 -17.614 273 HA2 GLY 39 1HA GLY 39 -1.784 -6.464 -18.336 274 HA3 GLY 39 2HA GLY 39 -0.213 -6.497 -19.123 275 H SER 40 H SER 40 -1.529 -6.225 -15.818 276 HA SER 40 HA SER 40 -0.212 -8.584 -14.934 277 HB2 SER 40 1HB SER 40 1.611 -7.791 -13.771 278 HB3 SER 40 2HB SER 40 1.591 -6.639 -15.107 279 HG SER 40 HG SER 40 0.327 -5.261 -13.699 280 H LYS 41 H LYS 41 -0.143 -8.444 -12.331 281 HA LYS 41 HA LYS 41 -2.778 -8.442 -11.475 282 HB2 LYS 41 1HB LYS 41 -0.278 -8.037 -9.821 283 HB3 LYS 41 2HB LYS 41 -1.857 -8.465 -9.176 284 HG2 LYS 41 1HG LYS 41 -1.810 -10.567 -10.390 285 HG3 LYS 41 2HG LYS 41 -0.254 -10.135 -11.103 286 HD2 LYS 41 1HD LYS 41 0.848 -10.266 -9.018 287 HD3 LYS 41 2HD LYS 41 -0.676 -10.292 -8.128 288 HE2 LYS 41 1HE LYS 41 -1.114 -12.498 -8.694 289 HE3 LYS 41 2HE LYS 41 -0.045 -12.456 -10.096 290 HZ1 LYS 41 1HZ LYS 41 0.963 -12.247 -7.319 291 HZ2 LYS 41 2HZ LYS 41 1.845 -12.572 -8.725 292 HZ3 LYS 41 3HZ LYS 41 0.778 -13.732 -8.109 293 H ALA 42 H ALA 42 -0.595 -5.800 -11.843 294 HA ALA 42 HA ALA 42 -1.932 -3.993 -10.070 295 HB1 ALA 42 1HB ALA 42 0.254 -3.365 -10.405 296 HB2 ALA 42 2HB ALA 42 0.213 -3.742 -12.128 297 HB3 ALA 42 3HB ALA 42 -0.585 -2.289 -11.524 298 H ALA 43 H ALA 43 -1.511 -3.642 -13.588 299 HA ALA 43 HA ALA 43 -3.672 -1.913 -13.947 300 HB1 ALA 43 1HB ALA 43 -2.036 -3.613 -15.760 301 HB2 ALA 43 2HB ALA 43 -3.510 -2.876 -16.389 302 HB3 ALA 43 3HB ALA 43 -2.231 -1.861 -15.724 303 H ALA 44 H ALA 44 -3.487 -5.437 -14.241 304 HA ALA 44 HA ALA 44 -6.037 -5.915 -15.262 305 HB1 ALA 44 1HB ALA 44 -4.756 -7.765 -13.284 306 HB2 ALA 44 2HB ALA 44 -5.714 -8.152 -14.714 307 HB3 ALA 44 3HB ALA 44 -4.071 -7.538 -14.894 308 H ALA 45 H ALA 45 -5.021 -5.011 -12.076 309 HA ALA 45 HA ALA 45 -7.544 -5.757 -10.849 310 HB1 ALA 45 1HB ALA 45 -6.319 -4.340 -8.929 311 HB2 ALA 45 2HB ALA 45 -5.987 -6.045 -9.237 312 HB3 ALA 45 3HB ALA 45 -4.918 -4.806 -9.893 313 H ASN 46 H ASN 46 -7.245 -3.642 -13.012 314 HA ASN 46 HA ASN 46 -8.238 -1.671 -13.560 315 HB2 ASN 46 1HB ASN 46 -9.664 -1.741 -10.906 316 HB3 ASN 46 2HB ASN 46 -10.211 -1.031 -12.422 317 HD21 ASN 46 1HD2 ASN 46 -10.299 -3.726 -10.421 318 HD22 ASN 46 2HD2 ASN 46 -11.077 -4.823 -11.506 319 H LEU 47 H LEU 47 -5.721 -1.653 -12.189 320 HA LEU 47 HA LEU 47 -5.813 0.607 -10.368 321 HB2 LEU 47 1HB LEU 47 -3.517 -1.032 -11.427 322 HB3 LEU 47 2HB LEU 47 -3.352 0.281 -10.263 323 HG LEU 47 HG LEU 47 -4.802 -2.330 -9.830 324 HD11 LEU 47 1HD1 LEU 47 -3.001 -3.066 -8.670 325 HD12 LEU 47 2HD1 LEU 47 -2.524 -1.447 -8.161 326 HD13 LEU 47 3HD1 LEU 47 -2.158 -2.001 -9.795 327 HD21 LEU 47 1HD2 LEU 47 -5.940 -1.295 -8.231 328 HD22 LEU 47 2HD2 LEU 47 -5.084 0.216 -8.535 329 HD23 LEU 47 3HD2 LEU 47 -4.414 -0.967 -7.411 330 H CYS 48 H CYS 48 -5.122 2.650 -10.799 331 HA CYS 48 HA CYS 48 -3.867 3.242 -13.359 332 HB2 CYS 48 1HB CYS 48 -6.030 3.562 -14.135 333 HB3 CYS 48 2HB CYS 48 -6.620 4.112 -12.571 334 HG CYS 48 HG CYS 48 -6.740 6.199 -14.478 335 HA PRO 49 HA PRO 49 -1.668 6.127 -10.869 336 HB2 PRO 49 1HB PRO 49 -0.734 7.761 -12.826 337 HB3 PRO 49 2HB PRO 49 -0.092 6.139 -12.541 338 HG2 PRO 49 1HG PRO 49 -2.076 7.058 -14.585 339 HG3 PRO 49 2HG PRO 49 -0.711 5.943 -14.774 340 HD2 PRO 49 1HD PRO 49 -3.264 5.086 -14.498 341 HD3 PRO 49 2HD PRO 49 -1.876 4.166 -13.883 342 H GLY 50 H GLY 50 -3.329 7.155 -9.716 343 HA2 GLY 50 1HA GLY 50 -3.643 9.835 -9.866 344 HA3 GLY 50 2HA GLY 50 -4.889 9.249 -10.958 345 H ASP 51 H ASP 51 -5.232 6.800 -9.274 346 HA ASP 51 HA ASP 51 -7.400 7.655 -7.738 347 HB2 ASP 51 1HB ASP 51 -5.757 5.128 -7.672 348 HB3 ASP 51 2HB ASP 51 -7.152 5.366 -6.624 349 H VAL 52 H VAL 52 -7.653 8.298 -5.668 350 HA VAL 52 HA VAL 52 -5.237 8.925 -4.168 351 HB VAL 52 HB VAL 52 -8.114 9.640 -3.583 352 HG11 VAL 52 1HG1 VAL 52 -6.690 11.467 -2.249 353 HG12 VAL 52 2HG1 VAL 52 -7.203 9.940 -1.528 354 HG13 VAL 52 3HG1 VAL 52 -5.565 10.112 -2.158 355 HG21 VAL 52 1HG2 VAL 52 -6.234 10.704 -5.462 356 HG22 VAL 52 2HG2 VAL 52 -7.902 11.190 -5.160 357 HG23 VAL 52 3HG2 VAL 52 -6.590 11.914 -4.229 358 H ILE 53 H ILE 53 -4.556 7.835 -2.438 359 HA ILE 53 HA ILE 53 -6.012 5.491 -1.580 360 HB ILE 53 HB ILE 53 -3.413 6.582 -0.500 361 HG12 ILE 53 1HG1 ILE 53 -3.495 6.037 -3.001 362 HG13 ILE 53 2HG1 ILE 53 -2.249 5.233 -2.052 363 HG21 ILE 53 1HG2 ILE 53 -3.370 3.865 -0.211 364 HG22 ILE 53 2HG2 ILE 53 -3.791 5.018 1.055 365 HG23 ILE 53 3HG2 ILE 53 -5.062 4.247 0.107 366 HD11 ILE 53 1HD1 ILE 53 -4.887 3.944 -2.666 367 HD12 ILE 53 2HD1 ILE 53 -3.487 3.818 -3.732 368 HD13 ILE 53 3HD1 ILE 53 -3.403 3.187 -2.088 369 H LEU 54 H LEU 54 -7.391 5.424 0.059 370 HA LEU 54 HA LEU 54 -7.463 7.672 1.939 371 HB2 LEU 54 1HB LEU 54 -9.492 5.506 1.405 372 HB3 LEU 54 2HB LEU 54 -9.702 6.854 2.521 373 HG LEU 54 HG LEU 54 -9.144 7.451 -0.345 374 HD11 LEU 54 1HD1 LEU 54 -11.972 7.317 0.161 375 HD12 LEU 54 2HD1 LEU 54 -11.224 5.735 0.376 376 HD13 LEU 54 3HD1 LEU 54 -11.029 6.602 -1.147 377 HD21 LEU 54 1HD2 LEU 54 -10.425 8.752 2.001 378 HD22 LEU 54 2HD2 LEU 54 -10.996 9.186 0.390 379 HD23 LEU 54 3HD2 LEU 54 -9.299 9.412 0.815 380 H ALA 55 H ALA 55 -7.718 4.117 1.962 381 HA ALA 55 HA ALA 55 -6.335 4.109 4.549 382 HB1 ALA 55 1HB ALA 55 -8.155 3.469 5.642 383 HB2 ALA 55 2HB ALA 55 -9.088 3.436 4.145 384 HB3 ALA 55 3HB ALA 55 -8.196 2.004 4.660 385 H ILE 56 H ILE 56 -4.891 2.478 4.813 386 HA ILE 56 HA ILE 56 -4.548 0.657 2.533 387 HB ILE 56 HB ILE 56 -2.572 1.514 4.651 388 HG12 ILE 56 1HG1 ILE 56 -2.494 2.029 1.677 389 HG13 ILE 56 2HG1 ILE 56 -3.220 3.156 2.818 390 HG21 ILE 56 1HG2 ILE 56 -1.363 0.212 2.418 391 HG22 ILE 56 2HG2 ILE 56 -1.309 -0.230 4.124 392 HG23 ILE 56 3HG2 ILE 56 -2.607 -0.839 3.097 393 HD11 ILE 56 1HD1 ILE 56 -1.218 3.821 3.644 394 HD12 ILE 56 2HD1 ILE 56 -0.453 2.257 3.358 395 HD13 ILE 56 3HD1 ILE 56 -0.713 3.371 2.015 396 H ASP 57 H ASP 57 -4.949 -1.438 2.768 397 HA ASP 57 HA ASP 57 -5.638 -3.391 3.733 398 HB2 ASP 57 1HB ASP 57 -3.249 -2.578 5.370 399 HB3 ASP 57 2HB ASP 57 -4.105 -4.082 5.699 400 H GLY 58 H GLY 58 -7.192 -1.186 4.527 401 HA2 GLY 58 1HA GLY 58 -8.956 -0.890 5.995 402 HA3 GLY 58 2HA GLY 58 -8.372 -2.269 6.915 403 H PHE 59 H PHE 59 -6.524 0.624 6.111 404 HA PHE 59 HA PHE 59 -6.785 1.620 8.836 405 HB2 PHE 59 1HB PHE 59 -4.075 1.019 7.636 406 HB3 PHE 59 2HB PHE 59 -4.394 1.687 9.234 407 HD1 PHE 59 2HD PHE 59 -5.994 0.178 10.723 408 HD2 PHE 59 1HD PHE 59 -3.617 -1.219 7.480 409 HE1 PHE 59 2HE PHE 59 -6.057 -2.095 11.661 410 HE2 PHE 59 1HE PHE 59 -3.677 -3.496 8.412 411 HZ PHE 59 HZ PHE 59 -4.898 -3.936 10.506 412 H GLY 60 H GLY 60 -7.525 3.603 8.365 413 HA2 GLY 60 1HA GLY 60 -7.122 5.108 6.099 414 HA3 GLY 60 2HA GLY 60 -7.456 5.798 7.680 415 H THR 61 H THR 61 -5.750 6.782 5.491 416 HA THR 61 HA THR 61 -3.088 6.643 6.712 417 HB THR 61 HB THR 61 -2.203 7.541 4.676 418 HG1 THR 61 1HG THR 61 -3.401 8.836 3.523 419 HG21 THR 61 1HG2 THR 61 -3.851 5.904 3.097 420 HG22 THR 61 2HG2 THR 61 -3.849 5.183 4.707 421 HG23 THR 61 3HG2 THR 61 -2.326 5.468 3.866 422 H GLU 62 H GLU 62 -5.081 8.104 8.084 423 HA GLU 62 HA GLU 62 -4.935 10.882 7.501 424 HB2 GLU 62 1HB GLU 62 -5.857 11.136 9.831 425 HB3 GLU 62 2HB GLU 62 -6.806 10.116 8.758 426 HG2 GLU 62 1HG GLU 62 -4.778 8.815 10.489 427 HG3 GLU 62 2HG GLU 62 -6.260 9.407 11.236 428 H SER 63 H SER 63 -3.006 8.688 9.409 429 HA SER 63 HA SER 63 -1.156 10.901 9.986 430 HB2 SER 63 1HB SER 63 -2.161 8.781 11.877 431 HB3 SER 63 2HB SER 63 -0.630 9.611 12.154 432 HG SER 63 HG SER 63 -2.025 11.593 11.842 433 H MET 64 H MET 64 -1.234 8.825 7.887 434 HA MET 64 HA MET 64 1.260 7.403 8.549 435 HB2 MET 64 1HB MET 64 -0.184 5.668 8.108 436 HB3 MET 64 2HB MET 64 -1.142 6.610 6.974 437 HG2 MET 64 1HG MET 64 0.209 6.131 5.209 438 HG3 MET 64 2HG MET 64 1.645 5.953 6.214 439 HE1 MET 64 1HE MET 64 -1.605 2.755 6.645 440 HE2 MET 64 2HE MET 64 -1.624 4.399 7.281 441 HE3 MET 64 3HE MET 64 -1.921 4.113 5.566 442 H THR 65 H THR 65 2.857 8.660 7.778 443 HA THR 65 HA THR 65 2.627 10.250 5.426 444 HB THR 65 HB THR 65 4.963 10.777 5.720 445 HG1 THR 65 1HG THR 65 5.594 8.562 6.247 446 HG21 THR 65 1HG2 THR 65 4.889 11.778 7.845 447 HG22 THR 65 2HG2 THR 65 3.884 10.491 8.511 448 HG23 THR 65 3HG2 THR 65 3.199 11.640 7.363 449 H HIS 66 H HIS 66 4.302 10.052 3.636 450 HA HIS 66 HA HIS 66 3.848 7.903 2.039 451 HB2 HIS 66 1HB HIS 66 5.180 10.112 1.606 452 HB3 HIS 66 2HB HIS 66 6.585 9.130 2.011 453 HD1 HIS 66 1HD HIS 66 3.553 8.359 -0.165 454 HD2 HIS 66 2HD HIS 66 7.703 8.446 -0.348 455 HE1 HIS 66 1HE HIS 66 4.143 7.524 -2.463 456 HE2 HIS 66 2HE HIS 66 6.661 7.506 -2.520 457 H ALA 67 H ALA 67 6.724 8.272 4.116 458 HA ALA 67 HA ALA 67 7.911 5.825 3.621 459 HB1 ALA 67 1HB ALA 67 8.999 7.601 4.885 460 HB2 ALA 67 2HB ALA 67 7.878 7.349 6.223 461 HB3 ALA 67 3HB ALA 67 9.024 6.083 5.784 462 H ASP 68 H ASP 68 5.404 6.630 5.992 463 HA ASP 68 HA ASP 68 5.286 4.139 7.273 464 HB2 ASP 68 1HB ASP 68 3.434 6.461 6.992 465 HB3 ASP 68 2HB ASP 68 2.777 4.948 7.612 466 H ALA 69 H ALA 69 3.547 5.386 4.450 467 HA ALA 69 HA ALA 69 1.820 3.220 4.061 468 HB1 ALA 69 1HB ALA 69 2.991 4.859 1.830 469 HB2 ALA 69 2HB ALA 69 1.405 4.091 1.910 470 HB3 ALA 69 3HB ALA 69 1.762 5.487 2.927 471 H GLN 70 H GLN 70 5.109 3.791 2.881 472 HA GLN 70 HA GLN 70 5.301 1.564 1.192 473 HB2 GLN 70 1HB GLN 70 7.579 2.747 2.777 474 HB3 GLN 70 2HB GLN 70 7.669 1.902 1.237 475 HG2 GLN 70 1HG GLN 70 6.075 3.880 0.487 476 HG3 GLN 70 2HG GLN 70 6.873 4.692 1.833 477 HE21 GLN 70 1HE2 GLN 70 6.979 4.964 -1.174 478 HE22 GLN 70 2HE2 GLN 70 8.667 4.949 -1.540 479 H ASP 71 H ASP 71 5.990 1.933 4.640 480 HA ASP 71 HA ASP 71 7.019 -0.687 5.008 481 HB2 ASP 71 1HB ASP 71 7.134 1.474 6.530 482 HB3 ASP 71 2HB ASP 71 5.684 0.773 7.246 483 H ARG 72 H ARG 72 3.904 0.439 4.421 484 HA ARG 72 HA ARG 72 2.607 -1.775 5.823 485 HB2 ARG 72 1HB ARG 72 1.584 0.698 4.448 486 HB3 ARG 72 2HB ARG 72 0.505 -0.625 4.870 487 HG2 ARG 72 1HG ARG 72 2.283 0.511 6.971 488 HG3 ARG 72 2HG ARG 72 0.839 1.403 6.484 489 HD2 ARG 72 1HD ARG 72 -0.523 -0.592 6.953 490 HD3 ARG 72 2HD ARG 72 0.927 -1.440 7.487 491 HE ARG 72 HE ARG 72 0.372 1.041 8.866 492 HH11 ARG 72 2HH1 ARG 72 -0.044 -2.415 8.807 493 HH12 ARG 72 1HH1 ARG 72 -0.365 -2.537 10.505 494 HH21 ARG 72 2HH2 ARG 72 -0.050 0.894 11.103 495 HH22 ARG 72 1HH2 ARG 72 -0.369 -0.654 11.810 496 H ILE 73 H ILE 73 3.353 -0.625 2.602 497 HA ILE 73 HA ILE 73 1.722 -2.544 1.240 498 HB ILE 73 HB ILE 73 4.007 -0.839 0.246 499 HG12 ILE 73 1HG1 ILE 73 1.152 -0.453 -0.532 500 HG13 ILE 73 2HG1 ILE 73 1.655 0.082 1.067 501 HG21 ILE 73 1HG2 ILE 73 3.592 -2.965 -1.049 502 HG22 ILE 73 2HG2 ILE 73 1.999 -2.316 -1.437 503 HG23 ILE 73 3HG2 ILE 73 3.451 -1.466 -1.968 504 HD11 ILE 73 1HD1 ILE 73 2.678 1.012 -1.597 505 HD12 ILE 73 2HD1 ILE 73 1.826 1.945 -0.366 506 HD13 ILE 73 3HD1 ILE 73 3.474 1.391 -0.069 507 H LYS 74 H LYS 74 5.115 -2.343 2.180 508 HA LYS 74 HA LYS 74 5.874 -4.748 0.821 509 HB2 LYS 74 1HB LYS 74 8.012 -4.476 1.893 510 HB3 LYS 74 2HB LYS 74 7.459 -2.898 1.348 511 HG2 LYS 74 1HG LYS 74 7.061 -2.147 3.494 512 HG3 LYS 74 2HG LYS 74 6.920 -3.780 4.149 513 HD2 LYS 74 1HD LYS 74 9.524 -2.933 2.977 514 HD3 LYS 74 2HD LYS 74 9.074 -2.314 4.567 515 HE2 LYS 74 1HE LYS 74 10.161 -4.226 5.185 516 HE3 LYS 74 2HE LYS 74 8.522 -4.854 5.017 517 HZ1 LYS 74 1HZ LYS 74 10.493 -4.934 2.807 518 HZ2 LYS 74 2HZ LYS 74 9.034 -5.780 2.932 519 HZ3 LYS 74 3HZ LYS 74 10.335 -6.189 3.932 520 H ALA 75 H ALA 75 4.789 -3.916 4.048 521 HA ALA 75 HA ALA 75 5.173 -6.684 4.935 522 HB1 ALA 75 1HB ALA 75 6.030 -5.034 6.456 523 HB2 ALA 75 2HB ALA 75 4.482 -4.187 6.476 524 HB3 ALA 75 3HB ALA 75 4.617 -5.797 7.184 525 H ALA 76 H ALA 76 3.014 -5.513 3.090 526 HA ALA 76 HA ALA 76 0.532 -5.586 4.390 527 HB1 ALA 76 1HB ALA 76 1.493 -5.486 1.673 528 HB2 ALA 76 2HB ALA 76 0.077 -6.529 1.808 529 HB3 ALA 76 3HB ALA 76 -0.005 -4.857 2.361 530 H SER 77 H SER 77 -1.121 -7.370 3.337 531 HA SER 77 HA SER 77 -0.129 -9.917 4.406 532 HB2 SER 77 1HB SER 77 -2.911 -8.795 4.070 533 HB3 SER 77 2HB SER 77 -2.617 -10.490 4.459 534 HG SER 77 HG SER 77 -2.626 -8.382 6.097 535 H TYR 78 H TYR 78 -1.625 -11.795 3.350 536 HA TYR 78 HA TYR 78 -0.552 -12.511 0.980 537 HB2 TYR 78 1HB TYR 78 -2.281 -14.109 0.727 538 HB3 TYR 78 2HB TYR 78 -2.132 -13.853 2.462 539 HD1 TYR 78 1HD TYR 78 -3.623 -11.312 2.781 540 HD2 TYR 78 2HD TYR 78 -4.508 -14.758 0.448 541 HE1 TYR 78 1HE TYR 78 -6.021 -10.778 2.911 542 HE2 TYR 78 2HE TYR 78 -6.907 -14.233 0.570 543 HH TYR 78 HH TYR 78 -8.324 -12.576 2.610 544 H GLN 79 H GLN 79 -2.982 -10.106 1.463 545 HA GLN 79 HA GLN 79 -2.930 -9.509 -1.400 546 HB2 GLN 79 1HB GLN 79 -5.497 -9.595 0.189 547 HB3 GLN 79 2HB GLN 79 -5.328 -9.221 -1.521 548 HG2 GLN 79 1HG GLN 79 -4.258 -11.608 -1.621 549 HG3 GLN 79 2HG GLN 79 -5.163 -11.843 -0.127 550 HE21 GLN 79 1HE2 GLN 79 -7.494 -10.859 -0.361 551 HE22 GLN 79 2HE2 GLN 79 -8.348 -11.394 -1.763 552 H LEU 80 H LEU 80 -3.359 -7.329 -1.919 553 HA LEU 80 HA LEU 80 -2.951 -5.506 0.340 554 HB2 LEU 80 1HB LEU 80 -1.279 -5.291 -1.337 555 HB3 LEU 80 2HB LEU 80 -2.487 -5.221 -2.619 556 HG LEU 80 HG LEU 80 -3.209 -3.019 -1.793 557 HD11 LEU 80 1HD1 LEU 80 -1.842 -3.770 0.522 558 HD12 LEU 80 2HD1 LEU 80 -2.620 -2.223 0.192 559 HD13 LEU 80 3HD1 LEU 80 -0.907 -2.442 -0.167 560 HD21 LEU 80 1HD2 LEU 80 -0.652 -2.071 -2.112 561 HD22 LEU 80 2HD2 LEU 80 -1.780 -2.452 -3.413 562 HD23 LEU 80 3HD2 LEU 80 -0.588 -3.647 -2.900 563 H CYS 81 H CYS 81 -4.795 -4.737 1.143 564 HA CYS 81 HA CYS 81 -7.013 -4.141 -0.678 565 HB2 CYS 81 1HB CYS 81 -7.272 -5.572 1.453 566 HB3 CYS 81 2HB CYS 81 -7.152 -4.050 2.327 567 HG CYS 81 HG CYS 81 -9.589 -4.955 0.109 568 H LEU 82 H LEU 82 -6.714 -2.153 -1.517 569 HA LEU 82 HA LEU 82 -6.157 0.051 0.357 570 HB2 LEU 82 1HB LEU 82 -5.634 -0.109 -2.608 571 HB3 LEU 82 2HB LEU 82 -5.324 1.298 -1.593 572 HG LEU 82 HG LEU 82 -3.989 -1.326 -1.028 573 HD11 LEU 82 1HD1 LEU 82 -3.015 0.790 -2.941 574 HD12 LEU 82 2HD1 LEU 82 -3.556 -0.830 -3.380 575 HD13 LEU 82 3HD1 LEU 82 -2.105 -0.621 -2.400 576 HD21 LEU 82 1HD2 LEU 82 -2.264 0.184 -0.098 577 HD22 LEU 82 2HD2 LEU 82 -3.832 0.355 0.692 578 HD23 LEU 82 3HD2 LEU 82 -3.301 1.559 -0.483 579 H LYS 83 H LYS 83 -7.788 1.380 0.746 580 HA LYS 83 HA LYS 83 -10.142 1.314 -0.970 581 HB2 LYS 83 1HB LYS 83 -10.515 1.119 1.419 582 HB3 LYS 83 2HB LYS 83 -9.643 2.619 1.711 583 HG2 LYS 83 1HG LYS 83 -11.485 3.591 0.088 584 HG3 LYS 83 2HG LYS 83 -12.385 2.186 0.663 585 HD2 LYS 83 1HD LYS 83 -11.600 3.020 3.016 586 HD3 LYS 83 2HD LYS 83 -11.394 4.561 2.180 587 HE2 LYS 83 1HE LYS 83 -13.563 4.737 2.926 588 HE3 LYS 83 2HE LYS 83 -13.808 4.081 1.309 589 HZ1 LYS 83 1HZ LYS 83 -13.868 2.590 3.873 590 HZ2 LYS 83 2HZ LYS 83 -13.892 1.845 2.354 591 HZ3 LYS 83 3HZ LYS 83 -15.161 2.863 2.816 592 H ILE 84 H ILE 84 -9.979 2.588 -2.713 593 HA ILE 84 HA ILE 84 -8.792 5.255 -2.419 594 HB ILE 84 HB ILE 84 -8.890 5.296 -4.933 595 HG12 ILE 84 1HG1 ILE 84 -9.327 2.323 -4.734 596 HG13 ILE 84 2HG1 ILE 84 -10.672 3.437 -4.956 597 HG21 ILE 84 1HG2 ILE 84 -7.147 3.186 -4.921 598 HG22 ILE 84 2HG2 ILE 84 -6.752 4.842 -4.462 599 HG23 ILE 84 3HG2 ILE 84 -7.180 3.662 -3.223 600 HD11 ILE 84 1HD1 ILE 84 -9.833 2.419 -7.052 601 HD12 ILE 84 2HD1 ILE 84 -9.787 4.182 -7.046 602 HD13 ILE 84 3HD1 ILE 84 -8.304 3.259 -6.800 603 H ASP 85 H ASP 85 -9.848 7.052 -3.579 604 HA ASP 85 HA ASP 85 -12.722 6.988 -3.089 605 HB2 ASP 85 1HB ASP 85 -11.427 8.844 -2.142 606 HB3 ASP 85 2HB ASP 85 -10.891 9.303 -3.755 607 H ARG 86 H ARG 86 -10.577 6.665 -5.673 608 HA ARG 86 HA ARG 86 -10.767 6.961 -7.955 609 HB2 ARG 86 1HB ARG 86 -12.584 5.608 -8.870 610 HB3 ARG 86 2HB ARG 86 -11.836 4.802 -7.498 611 HG2 ARG 86 1HG ARG 86 -13.681 5.536 -6.066 612 HG3 ARG 86 2HG ARG 86 -14.433 6.325 -7.454 613 HD2 ARG 86 1HD ARG 86 -13.871 3.376 -7.159 614 HD3 ARG 86 2HD ARG 86 -15.449 4.154 -7.042 615 HE ARG 86 HE ARG 86 -14.052 4.580 -9.537 616 HH11 ARG 86 2HH1 ARG 86 -16.324 2.619 -7.772 617 HH12 ARG 86 1HH1 ARG 86 -17.081 1.985 -9.195 618 HH21 ARG 86 2HH2 ARG 86 -15.041 3.752 -11.418 619 HH22 ARG 86 1HH2 ARG 86 -16.350 2.629 -11.268 620 H ALA 87 H ALA 87 -11.562 9.318 -6.589 621 HA ALA 87 HA ALA 87 -14.014 10.253 -7.809 622 HB1 ALA 87 1HB ALA 87 -13.849 11.263 -5.782 623 HB2 ALA 87 2HB ALA 87 -12.086 11.310 -5.823 624 HB3 ALA 87 3HB ALA 87 -13.021 12.483 -6.752 625 H GLU 88 H GLU 88 -13.948 10.647 -9.934 626 HA GLU 88 HA GLU 88 -11.811 11.136 -11.556 627 HB2 GLU 88 1HB GLU 88 -13.433 12.364 -13.054 628 HB3 GLU 88 2HB GLU 88 -13.931 10.753 -12.555 629 HG2 GLU 88 1HG GLU 88 -15.122 12.116 -10.628 630 HG3 GLU 88 2HG GLU 88 -15.056 13.398 -11.835 631 H THR 89 H THR 89 -13.813 13.624 -9.979 632 HA THR 89 HA THR 89 -11.947 15.704 -10.766 633 HB THR 89 HB THR 89 -14.375 15.986 -8.990 634 HG1 THR 89 1HG THR 89 -14.267 15.362 -11.586 635 HG21 THR 89 1HG2 THR 89 -12.370 17.783 -9.549 636 HG22 THR 89 2HG2 THR 89 -14.003 18.198 -9.027 637 HG23 THR 89 3HG2 THR 89 -13.601 18.189 -10.744 638 H ARG 90 H ARG 90 -10.895 13.692 -9.031 639 HA ARG 90 HA ARG 90 -10.861 14.432 -6.328 640 HB2 ARG 90 1HB ARG 90 -8.688 13.160 -6.260 641 HB3 ARG 90 2HB ARG 90 -10.051 12.274 -6.932 642 HG2 ARG 90 1HG ARG 90 -9.236 12.469 -9.126 643 HG3 ARG 90 2HG ARG 90 -8.078 13.720 -8.668 644 HD2 ARG 90 1HD ARG 90 -6.671 11.931 -8.754 645 HD3 ARG 90 2HD ARG 90 -7.194 11.801 -7.075 646 HE ARG 90 HE ARG 90 -8.363 9.886 -7.606 647 HH11 ARG 90 2HH1 ARG 90 -7.236 11.443 -10.509 648 HH12 ARG 90 1HH1 ARG 90 -7.620 10.100 -11.534 649 HH21 ARG 90 2HH2 ARG 90 -8.872 8.111 -8.945 650 HH22 ARG 90 1HH2 ARG 90 -8.552 8.206 -10.644 651 H LEU 91 H LEU 91 -10.766 16.793 -6.602 652 HA LEU 91 HA LEU 91 -8.130 17.858 -7.275 653 HB2 LEU 91 1HB LEU 91 -10.554 18.792 -7.895 654 HB3 LEU 91 2HB LEU 91 -10.322 19.632 -6.363 655 HG LEU 91 HG LEU 91 -8.004 20.259 -7.538 656 HD11 LEU 91 1HD1 LEU 91 -8.561 18.980 -9.574 657 HD12 LEU 91 2HD1 LEU 91 -8.305 20.696 -9.889 658 HD13 LEU 91 3HD1 LEU 91 -9.943 20.044 -9.836 659 HD21 LEU 91 1HD2 LEU 91 -9.853 21.726 -6.611 660 HD22 LEU 91 2HD2 LEU 91 -10.525 21.738 -8.242 661 HD23 LEU 91 3HD2 LEU 91 -8.914 22.393 -7.947 662 H TRP 92 H TRP 92 -7.469 19.788 -5.802 663 HA TRP 92 HA TRP 92 -6.434 18.998 -3.480 664 HB2 TRP 92 1HB TRP 92 -6.357 21.331 -4.571 665 HB3 TRP 92 2HB TRP 92 -7.761 21.700 -3.573 666 HD1 TRP 92 HD TRP 92 -6.818 20.241 -0.894 667 HE1 TRP 92 1HE TRP 92 -4.909 21.272 0.491 668 HE3 TRP 92 3HE TRP 92 -4.633 23.101 -4.526 669 HZ2 TRP 92 2HZ TRP 92 -2.762 23.062 0.096 670 HZ3 TRP 92 3HZ TRP 92 -2.656 24.443 -3.939 671 HH2 TRP 92 HH TRP 92 -1.742 24.423 -1.676 672 H SER 93 H SER 93 -7.618 17.528 -2.298 673 HA SER 93 HA SER 93 -9.564 18.674 -0.482 674 HB2 SER 93 1HB SER 93 -10.277 16.336 -2.269 675 HB3 SER 93 2HB SER 93 -11.250 16.911 -0.915 676 HG SER 93 HG SER 93 -11.765 17.700 -3.136 677 HA PRO 94 HA PRO 94 -7.689 15.910 2.365 678 HB2 PRO 94 1HB PRO 94 -9.728 15.499 4.109 679 HB3 PRO 94 2HB PRO 94 -8.839 17.023 4.013 680 HG2 PRO 94 1HG PRO 94 -11.493 16.302 2.832 681 HG3 PRO 94 2HG PRO 94 -11.003 17.794 3.655 682 HD2 PRO 94 1HD PRO 94 -11.148 17.599 0.958 683 HD3 PRO 94 2HD PRO 94 -9.965 18.638 1.778 684 H GLN 95 H GLN 95 -8.580 13.846 3.776 685 HA GLN 95 HA GLN 95 -8.881 11.782 1.822 686 HB2 GLN 95 1HB GLN 95 -8.914 10.266 3.801 687 HB3 GLN 95 2HB GLN 95 -7.526 11.346 3.760 688 HG2 GLN 95 1HG GLN 95 -8.072 11.646 5.920 689 HG3 GLN 95 2HG GLN 95 -9.181 12.834 5.237 690 HE21 GLN 95 1HE2 GLN 95 -9.107 9.325 5.786 691 HE22 GLN 95 2HE2 GLN 95 -10.696 9.225 6.456 692 H VAL 96 H VAL 96 -10.996 13.006 1.160 693 HA VAL 96 HA VAL 96 -13.242 11.685 2.540 694 HB VAL 96 HB VAL 96 -14.681 13.553 1.773 695 HG11 VAL 96 1HG1 VAL 96 -13.819 15.230 3.393 696 HG12 VAL 96 2HG1 VAL 96 -13.876 13.588 4.036 697 HG13 VAL 96 3HG1 VAL 96 -12.338 14.283 3.524 698 HG21 VAL 96 1HG2 VAL 96 -12.438 15.380 1.327 699 HG22 VAL 96 2HG2 VAL 96 -12.627 14.152 0.075 700 HG23 VAL 96 3HG2 VAL 96 -13.969 15.230 0.464 701 H SER 97 H SER 97 -14.738 10.632 1.309 702 HA SER 97 HA SER 97 -14.268 10.594 -1.600 703 HB2 SER 97 1HB SER 97 -14.894 8.221 -1.601 704 HB3 SER 97 2HB SER 97 -13.514 8.501 -0.539 705 HG SER 97 HG SER 97 -15.525 8.793 1.025 706 H SER 98 H SER 98 -16.044 12.385 -0.458 707 HA SER 98 HA SER 98 -18.679 11.213 -1.053 708 HB2 SER 98 1HB SER 98 -18.522 12.125 1.210 709 HB3 SER 98 2HB SER 98 -17.988 13.677 0.567 710 HG SER 98 HG SER 98 -20.142 13.898 0.878 711 H GLY 99 H GLY 99 -20.031 12.181 -2.532 712 HA2 GLY 99 1HA GLY 99 -18.921 14.485 -4.009 713 HA3 GLY 99 2HA GLY 99 -19.558 13.082 -4.854 714 HA PRO 100 HA PRO 100 -22.964 16.192 -4.532 715 HB2 PRO 100 1HB PRO 100 -23.811 15.865 -7.090 716 HB3 PRO 100 2HB PRO 100 -22.516 16.981 -6.642 717 HG2 PRO 100 1HG PRO 100 -22.326 14.218 -7.778 718 HG3 PRO 100 2HG PRO 100 -21.397 15.667 -8.202 719 HD2 PRO 100 1HD PRO 100 -20.415 13.728 -6.587 720 HD3 PRO 100 2HD PRO 100 -19.978 15.439 -6.399 721 H SER 101 H SER 101 -23.977 14.672 -3.094 722 HA SER 101 HA SER 101 -25.915 12.938 -4.472 723 HB2 SER 101 1HB SER 101 -23.983 11.704 -3.306 724 HB3 SER 101 2HB SER 101 -24.728 12.223 -1.794 725 HG SER 101 HG SER 101 -26.446 11.070 -3.623 726 H SER 102 H SER 102 -27.586 14.400 -4.287 727 HA SER 102 HA SER 102 -28.213 15.780 -1.883 728 HB2 SER 102 1HB SER 102 -28.899 16.455 -4.232 729 HB3 SER 102 2HB SER 102 -30.124 15.190 -4.148 730 HG SER 102 HG SER 102 -31.049 16.257 -2.394 731 H GLY 103 H GLY 103 -28.295 14.216 -0.241 732 HA2 GLY 103 1HA GLY 103 -30.693 12.490 -0.345 733 HA3 GLY 103 2HA GLY 103 -29.190 11.975 0.405 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -22.384 -3.454 0.057 2 HA2 GLY 1 1HA GLY 1 -23.724 -2.851 -2.453 3 HA3 GLY 1 2HA GLY 1 -24.495 -4.076 -1.455 4 H SER 2 H SER 2 -23.525 -0.701 -1.613 5 HA SER 2 HA SER 2 -25.821 0.079 -0.074 6 HB2 SER 2 1HB SER 2 -24.665 1.144 1.758 7 HB3 SER 2 2HB SER 2 -24.155 -0.543 1.693 8 HG SER 2 HG SER 2 -22.719 1.777 1.160 9 H SER 3 H SER 3 -26.118 2.400 -0.021 10 HA SER 3 HA SER 3 -25.321 3.631 -2.456 11 HB2 SER 3 1HB SER 3 -27.457 3.985 -0.928 12 HB3 SER 3 2HB SER 3 -26.456 5.249 -0.214 13 HG SER 3 HG SER 3 -26.835 5.035 -3.007 14 H GLY 4 H GLY 4 -23.120 3.902 -2.563 15 HA2 GLY 4 1HA GLY 4 -22.050 6.209 -1.265 16 HA3 GLY 4 2HA GLY 4 -21.383 4.730 -0.589 17 H SER 5 H SER 5 -19.583 6.331 -1.642 18 HA SER 5 HA SER 5 -19.059 5.300 -4.352 19 HB2 SER 5 1HB SER 5 -19.252 7.855 -3.871 20 HB3 SER 5 2HB SER 5 -17.639 7.676 -3.182 21 HG SER 5 HG SER 5 -18.420 6.978 -5.822 22 H SER 6 H SER 6 -18.518 3.779 -2.005 23 HA SER 6 HA SER 6 -15.723 3.995 -1.377 24 HB2 SER 6 1HB SER 6 -16.066 2.001 -0.029 25 HB3 SER 6 2HB SER 6 -17.400 3.123 0.242 26 HG SER 6 HG SER 6 -17.467 0.925 -1.553 27 H GLY 7 H GLY 7 -14.332 3.604 -2.998 28 HA2 GLY 7 1HA GLY 7 -14.846 1.409 -4.856 29 HA3 GLY 7 2HA GLY 7 -13.588 2.626 -5.008 30 H ASN 8 H ASN 8 -14.499 -0.398 -3.511 31 HA ASN 8 HA ASN 8 -12.085 -0.756 -2.042 32 HB2 ASN 8 1HB ASN 8 -12.854 -3.020 -1.668 33 HB3 ASN 8 2HB ASN 8 -14.222 -1.921 -1.509 34 HD21 ASN 8 1HD2 ASN 8 -12.805 -4.485 -3.319 35 HD22 ASN 8 2HD2 ASN 8 -14.151 -4.781 -4.362 36 H VAL 9 H VAL 9 -10.287 -2.007 -2.520 37 HA VAL 9 HA VAL 9 -10.059 -3.194 -5.172 38 HB VAL 9 HB VAL 9 -8.218 -1.006 -4.200 39 HG11 VAL 9 1HG1 VAL 9 -6.812 -1.426 -6.065 40 HG12 VAL 9 2HG1 VAL 9 -7.058 -2.976 -5.259 41 HG13 VAL 9 3HG1 VAL 9 -7.942 -2.600 -6.738 42 HG21 VAL 9 1HG2 VAL 9 -9.002 0.298 -5.958 43 HG22 VAL 9 2HG2 VAL 9 -9.667 -1.088 -6.822 44 HG23 VAL 9 3HG2 VAL 9 -10.463 -0.492 -5.366 45 H VAL 10 H VAL 10 -9.403 -5.191 -4.737 46 HA VAL 10 HA VAL 10 -7.343 -5.574 -2.662 47 HB VAL 10 HB VAL 10 -9.199 -7.751 -3.582 48 HG11 VAL 10 1HG1 VAL 10 -8.638 -8.760 -1.462 49 HG12 VAL 10 2HG1 VAL 10 -7.154 -8.331 -2.316 50 HG13 VAL 10 3HG1 VAL 10 -7.728 -7.328 -0.983 51 HG21 VAL 10 1HG2 VAL 10 -10.091 -6.820 -1.089 52 HG22 VAL 10 2HG2 VAL 10 -9.932 -5.395 -2.115 53 HG23 VAL 10 3HG2 VAL 10 -10.940 -6.746 -2.632 54 H LEU 11 H LEU 11 -5.421 -5.952 -3.535 55 HA LEU 11 HA LEU 11 -5.255 -7.271 -6.145 56 HB2 LEU 11 1HB LEU 11 -2.973 -6.050 -4.624 57 HB3 LEU 11 2HB LEU 11 -3.084 -6.383 -6.351 58 HG LEU 11 HG LEU 11 -4.673 -4.269 -4.898 59 HD11 LEU 11 1HD1 LEU 11 -2.185 -3.892 -5.003 60 HD12 LEU 11 2HD1 LEU 11 -3.179 -2.658 -5.777 61 HD13 LEU 11 3HD1 LEU 11 -2.345 -3.862 -6.759 62 HD21 LEU 11 1HD2 LEU 11 -5.182 -3.481 -7.169 63 HD22 LEU 11 2HD2 LEU 11 -5.801 -5.107 -6.876 64 HD23 LEU 11 3HD2 LEU 11 -4.336 -4.879 -7.833 65 HA PRO 12 HA PRO 12 -3.967 -11.083 -4.345 66 HB2 PRO 12 1HB PRO 12 -2.745 -12.161 -6.516 67 HB3 PRO 12 2HB PRO 12 -4.502 -12.037 -6.366 68 HG2 PRO 12 1HG PRO 12 -2.598 -10.269 -7.853 69 HG3 PRO 12 2HG PRO 12 -4.183 -10.883 -8.359 70 HD2 PRO 12 1HD PRO 12 -3.827 -8.370 -7.415 71 HD3 PRO 12 2HD PRO 12 -5.326 -9.285 -7.154 72 H GLY 13 H GLY 13 -2.323 -11.363 -2.981 73 HA2 GLY 13 1HA GLY 13 0.356 -10.435 -3.815 74 HA3 GLY 13 2HA GLY 13 -0.213 -10.426 -2.152 75 HA PRO 14 HA PRO 14 1.316 -10.682 -0.910 76 HB2 PRO 14 1HB PRO 14 3.947 -11.210 -0.493 77 HB3 PRO 14 2HB PRO 14 2.655 -11.959 0.453 78 HG2 PRO 14 1HG PRO 14 4.188 -13.064 -1.869 79 HG3 PRO 14 2HG PRO 14 3.722 -13.861 -0.355 80 HD2 PRO 14 1HD PRO 14 2.369 -14.230 -2.671 81 HD3 PRO 14 2HD PRO 14 1.574 -14.270 -1.084 82 H ALA 15 H ALA 15 3.552 -9.269 -1.033 83 HA ALA 15 HA ALA 15 3.435 -7.980 -3.543 84 HB1 ALA 15 1HB ALA 15 4.206 -6.394 -2.184 85 HB2 ALA 15 2HB ALA 15 4.777 -7.577 -1.005 86 HB3 ALA 15 3HB ALA 15 5.796 -7.133 -2.375 87 HA PRO 16 HA PRO 16 5.385 -6.412 -4.192 88 HB2 PRO 16 1HB PRO 16 5.821 -5.986 -6.837 89 HB3 PRO 16 2HB PRO 16 7.129 -6.083 -5.651 90 HG2 PRO 16 1HG PRO 16 6.119 -8.180 -7.535 91 HG3 PRO 16 2HG PRO 16 7.791 -7.757 -7.124 92 HD2 PRO 16 1HD PRO 16 6.520 -9.888 -6.041 93 HD3 PRO 16 2HD PRO 16 7.744 -8.956 -5.156 94 H TRP 17 H TRP 17 3.853 -5.031 -5.428 95 HA TRP 17 HA TRP 17 1.471 -6.586 -6.126 96 HB2 TRP 17 1HB TRP 17 1.679 -3.617 -5.591 97 HB3 TRP 17 2HB TRP 17 0.204 -4.574 -5.701 98 HD1 TRP 17 HD TRP 17 2.497 -3.183 -3.209 99 HE1 TRP 17 1HE TRP 17 2.120 -4.260 -0.902 100 HE3 TRP 17 3HE TRP 17 -0.364 -7.173 -4.635 101 HZ2 TRP 17 2HZ TRP 17 0.787 -6.505 0.171 102 HZ3 TRP 17 3HZ TRP 17 -1.149 -8.738 -2.906 103 HH2 TRP 17 HH TRP 17 -0.584 -8.410 -0.554 104 H GLY 18 H GLY 18 3.161 -3.654 -7.271 105 HA2 GLY 18 1HA GLY 18 3.799 -3.839 -9.718 106 HA3 GLY 18 2HA GLY 18 2.105 -4.236 -9.965 107 H PHE 19 H PHE 19 1.743 -2.162 -7.620 108 HA PHE 19 HA PHE 19 1.554 0.134 -9.442 109 HB2 PHE 19 1HB PHE 19 -0.218 0.960 -8.094 110 HB3 PHE 19 2HB PHE 19 -0.517 -0.766 -8.274 111 HD1 PHE 19 2HD PHE 19 -0.119 -2.295 -6.393 112 HD2 PHE 19 1HD PHE 19 0.272 1.923 -5.973 113 HE1 PHE 19 2HE PHE 19 -0.215 -2.533 -3.947 114 HE2 PHE 19 1HE PHE 19 0.177 1.691 -3.526 115 HZ PHE 19 HZ PHE 19 -0.067 -0.539 -2.509 116 H ARG 20 H ARG 20 1.885 2.299 -8.453 117 HA ARG 20 HA ARG 20 4.094 2.215 -6.504 118 HB2 ARG 20 1HB ARG 20 3.637 4.343 -8.598 119 HB3 ARG 20 2HB ARG 20 5.052 4.141 -7.572 120 HG2 ARG 20 1HG ARG 20 4.158 2.337 -9.808 121 HG3 ARG 20 2HG ARG 20 5.579 3.382 -9.777 122 HD2 ARG 20 1HD ARG 20 5.143 1.140 -7.818 123 HD3 ARG 20 2HD ARG 20 5.994 0.927 -9.347 124 HE ARG 20 HE ARG 20 6.977 2.233 -6.978 125 HH11 ARG 20 2HH1 ARG 20 7.286 1.930 -10.433 126 HH12 ARG 20 1HH1 ARG 20 8.930 2.477 -10.464 127 HH21 ARG 20 2HH2 ARG 20 9.140 2.954 -7.007 128 HH22 ARG 20 1HH2 ARG 20 9.984 3.058 -8.515 129 H LEU 21 H LEU 21 4.373 4.515 -5.478 130 HA LEU 21 HA LEU 21 1.726 5.567 -4.742 131 HB2 LEU 21 1HB LEU 21 2.827 5.921 -2.429 132 HB3 LEU 21 2HB LEU 21 2.192 4.333 -2.856 133 HG LEU 21 HG LEU 21 4.391 3.474 -3.224 134 HD11 LEU 21 1HD1 LEU 21 5.161 6.348 -3.155 135 HD12 LEU 21 2HD1 LEU 21 5.674 5.066 -4.251 136 HD13 LEU 21 3HD1 LEU 21 6.327 5.140 -2.615 137 HD21 LEU 21 1HD2 LEU 21 5.101 3.372 -1.046 138 HD22 LEU 21 2HD2 LEU 21 3.455 3.966 -0.824 139 HD23 LEU 21 3HD2 LEU 21 4.815 5.088 -0.755 140 H SER 22 H SER 22 1.695 7.760 -4.032 141 HA SER 22 HA SER 22 4.130 9.320 -4.428 142 HB2 SER 22 1HB SER 22 2.452 9.081 -6.539 143 HB3 SER 22 2HB SER 22 1.732 10.472 -5.729 144 HG SER 22 HG SER 22 4.505 10.314 -6.251 145 H GLY 23 H GLY 23 3.800 11.635 -3.786 146 HA2 GLY 23 1HA GLY 23 3.210 13.164 -2.179 147 HA3 GLY 23 2HA GLY 23 1.577 12.540 -2.356 148 H GLY 24 H GLY 24 1.257 12.875 -0.098 149 HA2 GLY 24 1HA GLY 24 1.223 10.766 1.543 150 HA3 GLY 24 2HA GLY 24 2.877 11.323 1.753 151 H ILE 25 H ILE 25 0.782 11.199 3.742 152 HA ILE 25 HA ILE 25 -0.380 13.705 4.244 153 HB ILE 25 HB ILE 25 -0.576 12.944 6.597 154 HG12 ILE 25 1HG1 ILE 25 0.582 10.301 5.828 155 HG13 ILE 25 2HG1 ILE 25 1.685 11.597 6.277 156 HG21 ILE 25 1HG2 ILE 25 -1.365 10.527 5.134 157 HG22 ILE 25 2HG2 ILE 25 -2.341 11.662 6.065 158 HG23 ILE 25 3HG2 ILE 25 -1.892 12.042 4.402 159 HD11 ILE 25 1HD1 ILE 25 1.090 11.529 8.451 160 HD12 ILE 25 2HD1 ILE 25 -0.585 11.103 8.096 161 HD13 ILE 25 3HD1 ILE 25 0.673 9.869 8.030 162 H ASP 26 H ASP 26 2.857 12.695 4.434 163 HA ASP 26 HA ASP 26 3.623 14.690 6.407 164 HB2 ASP 26 1HB ASP 26 4.779 12.564 6.494 165 HB3 ASP 26 2HB ASP 26 5.255 12.712 4.805 166 H PHE 27 H PHE 27 3.682 14.195 2.948 167 HA PHE 27 HA PHE 27 5.296 16.574 2.507 168 HB2 PHE 27 1HB PHE 27 4.086 14.536 0.637 169 HB3 PHE 27 2HB PHE 27 4.927 15.974 0.068 170 HD1 PHE 27 1HD PHE 27 5.330 12.850 1.997 171 HD2 PHE 27 2HD PHE 27 7.276 16.063 -0.004 172 HE1 PHE 27 1HE PHE 27 7.475 11.658 2.176 173 HE2 PHE 27 2HE PHE 27 9.424 14.876 0.171 174 HZ PHE 27 HZ PHE 27 9.526 12.671 1.262 175 H ASN 28 H ASN 28 2.321 16.306 3.491 176 HA ASN 28 HA ASN 28 0.408 17.528 3.344 177 HB2 ASN 28 1HB ASN 28 2.422 19.430 2.164 178 HB3 ASN 28 2HB ASN 28 0.725 19.874 2.325 179 HD21 ASN 28 1HD2 ASN 28 -0.153 19.282 4.605 180 HD22 ASN 28 2HD2 ASN 28 0.832 19.820 5.919 181 H GLN 29 H GLN 29 0.778 15.589 1.346 182 HA GLN 29 HA GLN 29 -0.908 16.726 -0.749 183 HB2 GLN 29 1HB GLN 29 1.796 15.538 -1.146 184 HB3 GLN 29 2HB GLN 29 0.557 15.183 -2.343 185 HG2 GLN 29 1HG GLN 29 1.419 17.942 -1.505 186 HG3 GLN 29 2HG GLN 29 1.954 17.102 -2.959 187 HE21 GLN 29 1HE2 GLN 29 0.325 16.548 -4.542 188 HE22 GLN 29 2HE2 GLN 29 -1.068 17.556 -4.715 189 HA PRO 30 HA PRO 30 -3.154 12.978 -0.340 190 HB2 PRO 30 1HB PRO 30 -4.163 12.698 -2.845 191 HB3 PRO 30 2HB PRO 30 -4.741 13.922 -1.708 192 HG2 PRO 30 1HG PRO 30 -2.807 14.206 -3.975 193 HG3 PRO 30 2HG PRO 30 -4.130 15.283 -3.492 194 HD2 PRO 30 1HD PRO 30 -1.544 15.780 -2.862 195 HD3 PRO 30 2HD PRO 30 -2.892 16.256 -1.809 196 H LEU 31 H LEU 31 -2.813 10.823 -0.491 197 HA LEU 31 HA LEU 31 -0.441 9.889 -1.785 198 HB2 LEU 31 1HB LEU 31 -2.602 8.626 -0.152 199 HB3 LEU 31 2HB LEU 31 -1.448 7.615 -1.019 200 HG LEU 31 HG LEU 31 -0.641 9.712 0.989 201 HD11 LEU 31 1HD1 LEU 31 -1.743 8.270 2.383 202 HD12 LEU 31 2HD1 LEU 31 -0.155 7.507 2.328 203 HD13 LEU 31 3HD1 LEU 31 -1.472 6.875 1.340 204 HD21 LEU 31 1HD2 LEU 31 0.771 8.011 -0.857 205 HD22 LEU 31 2HD2 LEU 31 1.234 7.651 0.806 206 HD23 LEU 31 3HD2 LEU 31 1.387 9.294 0.184 207 H VAL 32 H VAL 32 -0.418 9.724 -3.939 208 HA VAL 32 HA VAL 32 -2.590 8.202 -5.218 209 HB VAL 32 HB VAL 32 -1.908 9.684 -7.293 210 HG11 VAL 32 1HG1 VAL 32 -4.015 10.358 -7.081 211 HG12 VAL 32 2HG1 VAL 32 -4.022 9.650 -5.465 212 HG13 VAL 32 3HG1 VAL 32 -3.612 11.352 -5.682 213 HG21 VAL 32 1HG2 VAL 32 -1.026 11.752 -6.892 214 HG22 VAL 32 2HG2 VAL 32 -1.640 11.818 -5.241 215 HG23 VAL 32 3HG2 VAL 32 -0.219 10.842 -5.615 216 H ILE 33 H ILE 33 -1.998 6.866 -6.939 217 HA ILE 33 HA ILE 33 0.567 5.702 -6.770 218 HB ILE 33 HB ILE 33 -1.560 5.417 -8.893 219 HG12 ILE 33 1HG1 ILE 33 -0.836 3.311 -6.899 220 HG13 ILE 33 2HG1 ILE 33 -1.830 4.665 -6.372 221 HG21 ILE 33 1HG2 ILE 33 -0.162 3.159 -9.131 222 HG22 ILE 33 2HG2 ILE 33 0.195 4.603 -10.077 223 HG23 ILE 33 3HG2 ILE 33 1.142 4.238 -8.635 224 HD11 ILE 33 1HD1 ILE 33 -2.916 2.461 -7.254 225 HD12 ILE 33 2HD1 ILE 33 -3.611 4.031 -7.657 226 HD13 ILE 33 3HD1 ILE 33 -2.605 3.184 -8.832 227 H THR 34 H THR 34 2.369 5.877 -8.026 228 HA THR 34 HA THR 34 2.510 8.236 -9.747 229 HB THR 34 HB THR 34 5.019 7.666 -9.711 230 HG1 THR 34 1HG THR 34 4.434 6.279 -7.333 231 HG21 THR 34 1HG2 THR 34 5.273 9.128 -7.992 232 HG22 THR 34 2HG2 THR 34 4.182 8.237 -6.931 233 HG23 THR 34 3HG2 THR 34 3.529 9.296 -8.181 234 H ARG 35 H ARG 35 2.389 4.817 -9.940 235 HA ARG 35 HA ARG 35 2.288 4.847 -12.777 236 HB2 ARG 35 1HB ARG 35 4.832 4.954 -12.045 237 HB3 ARG 35 2HB ARG 35 4.603 3.225 -11.820 238 HG2 ARG 35 1HG ARG 35 5.454 3.493 -13.994 239 HG3 ARG 35 2HG ARG 35 3.732 3.161 -14.189 240 HD2 ARG 35 1HD ARG 35 4.268 4.937 -15.671 241 HD3 ARG 35 2HD ARG 35 3.371 5.641 -14.326 242 HE ARG 35 HE ARG 35 5.256 6.805 -13.705 243 HH11 ARG 35 2HH1 ARG 35 6.076 4.426 -16.112 244 HH12 ARG 35 1HH1 ARG 35 7.674 5.045 -16.367 245 HH21 ARG 35 2HH2 ARG 35 7.358 7.629 -14.033 246 HH22 ARG 35 1HH2 ARG 35 8.402 6.866 -15.184 247 H ILE 36 H ILE 36 1.968 2.667 -13.680 248 HA ILE 36 HA ILE 36 1.230 0.645 -11.689 249 HB ILE 36 HB ILE 36 -0.575 1.767 -13.818 250 HG12 ILE 36 1HG1 ILE 36 -0.726 2.813 -11.626 251 HG13 ILE 36 2HG1 ILE 36 -2.176 1.863 -11.929 252 HG21 ILE 36 1HG2 ILE 36 -0.957 -0.441 -14.273 253 HG22 ILE 36 2HG2 ILE 36 -0.520 -0.966 -12.648 254 HG23 ILE 36 3HG2 ILE 36 -2.085 -0.206 -12.938 255 HD11 ILE 36 1HD1 ILE 36 -0.940 0.010 -10.622 256 HD12 ILE 36 2HD1 ILE 36 0.066 1.334 -10.035 257 HD13 ILE 36 3HD1 ILE 36 -1.672 1.351 -9.741 258 H THR 37 H THR 37 1.798 -1.369 -12.245 259 HA THR 37 HA THR 37 3.458 -1.874 -14.439 260 HB THR 37 HB THR 37 1.872 -3.905 -12.856 261 HG1 THR 37 1HG THR 37 4.170 -3.983 -11.875 262 HG21 THR 37 1HG2 THR 37 3.423 -5.528 -13.597 263 HG22 THR 37 2HG2 THR 37 4.505 -4.303 -14.261 264 HG23 THR 37 3HG2 THR 37 2.958 -4.629 -15.041 265 HA PRO 38 HA PRO 38 0.321 -2.158 -17.606 266 HB2 PRO 38 1HB PRO 38 2.048 -2.657 -19.640 267 HB3 PRO 38 2HB PRO 38 1.802 -1.043 -18.963 268 HG2 PRO 38 1HG PRO 38 3.989 -3.012 -18.417 269 HG3 PRO 38 2HG PRO 38 4.098 -1.260 -18.667 270 HD2 PRO 38 1HD PRO 38 4.166 -2.387 -16.206 271 HD3 PRO 38 2HD PRO 38 3.463 -0.785 -16.503 272 H GLY 39 H GLY 39 -0.870 -3.979 -17.452 273 HA2 GLY 39 1HA GLY 39 -1.523 -6.126 -17.995 274 HA3 GLY 39 2HA GLY 39 0.023 -6.346 -18.799 275 H SER 40 H SER 40 -1.253 -5.966 -15.491 276 HA SER 40 HA SER 40 -0.037 -8.437 -14.667 277 HB2 SER 40 1HB SER 40 1.693 -7.685 -13.362 278 HB3 SER 40 2HB SER 40 1.712 -6.417 -14.588 279 HG SER 40 HG SER 40 0.333 -5.203 -13.151 280 H LYS 41 H LYS 41 -0.124 -8.337 -12.020 281 HA LYS 41 HA LYS 41 -2.839 -8.451 -11.385 282 HB2 LYS 41 1HB LYS 41 -0.477 -8.122 -9.526 283 HB3 LYS 41 2HB LYS 41 -2.094 -8.606 -9.031 284 HG2 LYS 41 1HG LYS 41 -1.929 -10.674 -10.135 285 HG3 LYS 41 2HG LYS 41 -0.509 -10.161 -11.051 286 HD2 LYS 41 1HD LYS 41 0.630 -9.916 -8.762 287 HD3 LYS 41 2HD LYS 41 -0.716 -10.875 -8.141 288 HE2 LYS 41 1HE LYS 41 -0.107 -12.751 -9.379 289 HE3 LYS 41 2HE LYS 41 0.868 -11.810 -10.506 290 HZ1 LYS 41 1HZ LYS 41 2.451 -12.814 -9.199 291 HZ2 LYS 41 2HZ LYS 41 1.532 -12.706 -7.784 292 HZ3 LYS 41 3HZ LYS 41 2.280 -11.325 -8.414 293 H ALA 42 H ALA 42 -0.603 -5.796 -11.313 294 HA ALA 42 HA ALA 42 -2.082 -4.099 -9.579 295 HB1 ALA 42 1HB ALA 42 -0.244 -2.870 -9.736 296 HB2 ALA 42 2HB ALA 42 0.380 -3.992 -10.945 297 HB3 ALA 42 3HB ALA 42 -0.548 -2.580 -11.449 298 H ALA 43 H ALA 43 -1.489 -3.537 -13.044 299 HA ALA 43 HA ALA 43 -3.663 -1.816 -13.402 300 HB1 ALA 43 1HB ALA 43 -1.722 -3.172 -15.116 301 HB2 ALA 43 2HB ALA 43 -3.272 -2.859 -15.898 302 HB3 ALA 43 3HB ALA 43 -2.354 -1.527 -15.195 303 H ALA 44 H ALA 44 -3.371 -5.302 -13.988 304 HA ALA 44 HA ALA 44 -5.819 -5.784 -15.187 305 HB1 ALA 44 1HB ALA 44 -4.476 -7.612 -13.203 306 HB2 ALA 44 2HB ALA 44 -5.581 -8.065 -14.502 307 HB3 ALA 44 3HB ALA 44 -3.979 -7.437 -14.886 308 H ALA 45 H ALA 45 -5.202 -4.682 -12.036 309 HA ALA 45 HA ALA 45 -7.817 -5.580 -11.053 310 HB1 ALA 45 1HB ALA 45 -6.748 -4.334 -8.926 311 HB2 ALA 45 2HB ALA 45 -6.464 -6.034 -9.303 312 HB3 ALA 45 3HB ALA 45 -5.274 -4.818 -9.766 313 H ASN 46 H ASN 46 -7.358 -3.413 -13.053 314 HA ASN 46 HA ASN 46 -8.269 -1.395 -13.572 315 HB2 ASN 46 1HB ASN 46 -9.721 -1.414 -10.934 316 HB3 ASN 46 2HB ASN 46 -10.229 -0.701 -12.462 317 HD21 ASN 46 1HD2 ASN 46 -10.947 -3.060 -10.422 318 HD22 ASN 46 2HD2 ASN 46 -11.560 -4.257 -11.507 319 H LEU 47 H LEU 47 -5.771 -1.544 -12.152 320 HA LEU 47 HA LEU 47 -5.804 0.780 -10.386 321 HB2 LEU 47 1HB LEU 47 -3.586 -1.120 -11.129 322 HB3 LEU 47 2HB LEU 47 -3.433 0.213 -9.987 323 HG LEU 47 HG LEU 47 -5.166 -2.236 -9.657 324 HD11 LEU 47 1HD1 LEU 47 -3.515 -3.163 -8.476 325 HD12 LEU 47 2HD1 LEU 47 -3.115 -1.647 -7.669 326 HD13 LEU 47 3HD1 LEU 47 -2.464 -1.991 -9.271 327 HD21 LEU 47 1HD2 LEU 47 -5.096 -1.063 -7.231 328 HD22 LEU 47 2HD2 LEU 47 -6.390 -0.818 -8.404 329 HD23 LEU 47 3HD2 LEU 47 -5.085 0.362 -8.270 330 H CYS 48 H CYS 48 -4.758 2.689 -10.816 331 HA CYS 48 HA CYS 48 -3.181 3.010 -13.215 332 HB2 CYS 48 1HB CYS 48 -4.581 4.643 -14.283 333 HB3 CYS 48 2HB CYS 48 -5.555 3.206 -13.994 334 HG CYS 48 HG CYS 48 -6.015 4.984 -11.369 335 HA PRO 49 HA PRO 49 -1.232 6.071 -10.743 336 HB2 PRO 49 1HB PRO 49 -0.152 7.645 -12.673 337 HB3 PRO 49 2HB PRO 49 0.473 6.038 -12.283 338 HG2 PRO 49 1HG PRO 49 -1.346 6.875 -14.508 339 HG3 PRO 49 2HG PRO 49 0.035 5.764 -14.550 340 HD2 PRO 49 1HD PRO 49 -2.528 4.898 -14.449 341 HD3 PRO 49 2HD PRO 49 -1.189 4.009 -13.695 342 H GLY 50 H GLY 50 -2.984 7.125 -9.761 343 HA2 GLY 50 1HA GLY 50 -3.300 9.791 -10.004 344 HA3 GLY 50 2HA GLY 50 -4.432 9.178 -11.200 345 H ASP 51 H ASP 51 -4.703 6.757 -9.286 346 HA ASP 51 HA ASP 51 -7.079 7.676 -8.022 347 HB2 ASP 51 1HB ASP 51 -5.578 5.112 -8.160 348 HB3 ASP 51 2HB ASP 51 -6.700 5.317 -6.818 349 H VAL 52 H VAL 52 -7.536 7.928 -5.826 350 HA VAL 52 HA VAL 52 -5.215 8.684 -4.211 351 HB VAL 52 HB VAL 52 -8.147 9.218 -3.708 352 HG11 VAL 52 1HG1 VAL 52 -5.675 10.308 -2.365 353 HG12 VAL 52 2HG1 VAL 52 -7.330 10.838 -2.054 354 HG13 VAL 52 3HG1 VAL 52 -6.841 9.190 -1.657 355 HG21 VAL 52 1HG2 VAL 52 -6.771 11.604 -4.219 356 HG22 VAL 52 2HG2 VAL 52 -6.258 10.475 -5.473 357 HG23 VAL 52 3HG2 VAL 52 -7.972 10.818 -5.243 358 H ILE 53 H ILE 53 -4.508 7.440 -2.613 359 HA ILE 53 HA ILE 53 -5.973 5.057 -1.879 360 HB ILE 53 HB ILE 53 -3.356 6.036 -0.739 361 HG12 ILE 53 1HG1 ILE 53 -3.621 5.632 -3.343 362 HG13 ILE 53 2HG1 ILE 53 -2.193 5.076 -2.478 363 HG21 ILE 53 1HG2 ILE 53 -3.916 4.345 0.668 364 HG22 ILE 53 2HG2 ILE 53 -4.953 3.553 -0.517 365 HG23 ILE 53 3HG2 ILE 53 -3.202 3.378 -0.622 366 HD11 ILE 53 1HD1 ILE 53 -3.554 3.527 -4.141 367 HD12 ILE 53 2HD1 ILE 53 -2.736 2.892 -2.713 368 HD13 ILE 53 3HD1 ILE 53 -4.472 3.202 -2.671 369 H LEU 54 H LEU 54 -7.690 5.500 -0.597 370 HA LEU 54 HA LEU 54 -7.610 7.449 1.497 371 HB2 LEU 54 1HB LEU 54 -9.591 5.330 0.714 372 HB3 LEU 54 2HB LEU 54 -9.819 6.355 2.129 373 HG LEU 54 HG LEU 54 -9.507 7.435 -0.666 374 HD11 LEU 54 1HD1 LEU 54 -11.486 5.975 -0.509 375 HD12 LEU 54 2HD1 LEU 54 -11.908 7.671 -0.740 376 HD13 LEU 54 3HD1 LEU 54 -12.061 6.935 0.855 377 HD21 LEU 54 1HD2 LEU 54 -10.985 9.180 0.874 378 HD22 LEU 54 2HD2 LEU 54 -9.276 9.341 0.470 379 HD23 LEU 54 3HD2 LEU 54 -9.756 8.587 1.991 380 H ALA 55 H ALA 55 -7.614 3.898 1.398 381 HA ALA 55 HA ALA 55 -6.368 3.897 4.054 382 HB1 ALA 55 1HB ALA 55 -8.992 2.824 3.370 383 HB2 ALA 55 2HB ALA 55 -7.934 1.647 4.151 384 HB3 ALA 55 3HB ALA 55 -8.287 3.181 4.947 385 H ILE 56 H ILE 56 -4.995 2.149 4.468 386 HA ILE 56 HA ILE 56 -4.291 0.563 2.086 387 HB ILE 56 HB ILE 56 -2.548 1.579 4.325 388 HG12 ILE 56 1HG1 ILE 56 -2.332 1.934 1.330 389 HG13 ILE 56 2HG1 ILE 56 -3.079 3.105 2.411 390 HG21 ILE 56 1HG2 ILE 56 -0.917 0.318 2.462 391 HG22 ILE 56 2HG2 ILE 56 -1.299 -0.245 4.088 392 HG23 ILE 56 3HG2 ILE 56 -2.255 -0.802 2.716 393 HD11 ILE 56 1HD1 ILE 56 -1.113 3.943 3.020 394 HD12 ILE 56 2HD1 ILE 56 -0.401 2.344 3.242 395 HD13 ILE 56 3HD1 ILE 56 -0.454 3.070 1.636 396 H ASP 57 H ASP 57 -4.710 -1.530 2.218 397 HA ASP 57 HA ASP 57 -5.249 -3.580 3.056 398 HB2 ASP 57 1HB ASP 57 -2.752 -3.191 3.716 399 HB3 ASP 57 2HB ASP 57 -3.389 -3.060 5.353 400 H GLY 58 H GLY 58 -7.002 -1.532 3.838 401 HA2 GLY 58 1HA GLY 58 -8.854 -1.395 5.212 402 HA3 GLY 58 2HA GLY 58 -8.255 -2.796 6.088 403 H PHE 59 H PHE 59 -6.484 0.204 5.578 404 HA PHE 59 HA PHE 59 -6.998 1.061 8.312 405 HB2 PHE 59 1HB PHE 59 -4.179 0.570 7.335 406 HB3 PHE 59 2HB PHE 59 -4.653 1.164 8.923 407 HD1 PHE 59 2HD PHE 59 -6.394 -0.452 10.161 408 HD2 PHE 59 1HD PHE 59 -3.603 -1.637 7.174 409 HE1 PHE 59 2HE PHE 59 -6.485 -2.763 10.998 410 HE2 PHE 59 1HE PHE 59 -3.690 -3.951 8.006 411 HZ PHE 59 HZ PHE 59 -5.131 -4.516 9.921 412 H GLY 60 H GLY 60 -7.745 3.047 7.862 413 HA2 GLY 60 1HA GLY 60 -7.196 4.663 5.712 414 HA3 GLY 60 2HA GLY 60 -7.659 5.275 7.293 415 H THR 61 H THR 61 -5.764 6.287 5.215 416 HA THR 61 HA THR 61 -3.194 6.126 6.582 417 HB THR 61 HB THR 61 -2.211 7.108 4.690 418 HG1 THR 61 1HG THR 61 -4.830 8.031 4.076 419 HG21 THR 61 1HG2 THR 61 -2.554 5.209 3.570 420 HG22 THR 61 2HG2 THR 61 -3.959 5.970 2.822 421 HG23 THR 61 3HG2 THR 61 -4.151 5.012 4.290 422 H GLU 62 H GLU 62 -5.168 7.379 8.095 423 HA GLU 62 HA GLU 62 -5.179 10.195 7.825 424 HB2 GLU 62 1HB GLU 62 -6.131 10.234 10.057 425 HB3 GLU 62 2HB GLU 62 -6.869 8.944 9.119 426 HG2 GLU 62 1HG GLU 62 -5.592 7.284 10.256 427 HG3 GLU 62 2HG GLU 62 -4.612 8.511 11.056 428 H SER 63 H SER 63 -3.028 7.945 9.417 429 HA SER 63 HA SER 63 -1.233 10.187 10.037 430 HB2 SER 63 1HB SER 63 -1.845 7.857 11.872 431 HB3 SER 63 2HB SER 63 -0.596 9.068 12.156 432 HG SER 63 HG SER 63 -2.255 10.646 12.201 433 H MET 64 H MET 64 -1.337 8.236 7.839 434 HA MET 64 HA MET 64 1.168 6.773 8.337 435 HB2 MET 64 1HB MET 64 -0.300 5.119 7.700 436 HB3 MET 64 2HB MET 64 -1.229 6.192 6.662 437 HG2 MET 64 1HG MET 64 0.162 5.903 4.877 438 HG3 MET 64 2HG MET 64 1.563 5.550 5.885 439 HE1 MET 64 1HE MET 64 -1.787 4.111 6.643 440 HE2 MET 64 2HE MET 64 -2.060 3.811 4.926 441 HE3 MET 64 3HE MET 64 -1.777 2.459 6.024 442 H THR 65 H THR 65 2.730 8.206 7.772 443 HA THR 65 HA THR 65 2.517 9.934 5.504 444 HB THR 65 HB THR 65 4.763 10.632 5.992 445 HG1 THR 65 1HG THR 65 5.901 9.441 7.729 446 HG21 THR 65 1HG2 THR 65 3.019 10.134 8.382 447 HG22 THR 65 2HG2 THR 65 3.325 11.644 7.524 448 HG23 THR 65 3HG2 THR 65 4.575 10.944 8.551 449 H HIS 66 H HIS 66 3.819 9.888 3.606 450 HA HIS 66 HA HIS 66 3.786 7.744 2.030 451 HB2 HIS 66 1HB HIS 66 4.845 10.150 1.693 452 HB3 HIS 66 2HB HIS 66 6.349 9.271 1.947 453 HD1 HIS 66 1HD HIS 66 3.266 8.311 -0.069 454 HD2 HIS 66 2HD HIS 66 7.353 8.893 -0.533 455 HE1 HIS 66 1HE HIS 66 3.767 7.687 -2.453 456 HE2 HIS 66 2HE HIS 66 6.259 7.965 -2.686 457 H ALA 67 H ALA 67 6.597 8.479 4.098 458 HA ALA 67 HA ALA 67 8.137 6.259 3.555 459 HB1 ALA 67 1HB ALA 67 8.802 8.213 4.955 460 HB2 ALA 67 2HB ALA 67 7.866 7.517 6.279 461 HB3 ALA 67 3HB ALA 67 9.258 6.649 5.631 462 H ASP 68 H ASP 68 5.495 6.573 5.893 463 HA ASP 68 HA ASP 68 5.747 4.046 7.084 464 HB2 ASP 68 1HB ASP 68 3.361 5.861 6.724 465 HB3 ASP 68 2HB ASP 68 3.296 4.366 7.653 466 H ALA 69 H ALA 69 3.673 5.114 4.395 467 HA ALA 69 HA ALA 69 2.335 2.783 3.844 468 HB1 ALA 69 1HB ALA 69 1.562 4.367 2.447 469 HB2 ALA 69 2HB ALA 69 3.139 5.140 2.279 470 HB3 ALA 69 3HB ALA 69 2.757 3.700 1.335 471 H GLN 70 H GLN 70 5.645 3.638 3.005 472 HA GLN 70 HA GLN 70 6.169 1.533 1.223 473 HB2 GLN 70 1HB GLN 70 8.112 2.894 3.096 474 HB3 GLN 70 2HB GLN 70 8.527 1.979 1.652 475 HG2 GLN 70 1HG GLN 70 6.682 4.276 1.340 476 HG3 GLN 70 2HG GLN 70 8.379 4.621 1.668 477 HE21 GLN 70 1HE2 GLN 70 7.453 5.510 -0.640 478 HE22 GLN 70 2HE2 GLN 70 8.009 4.552 -1.966 479 H ASP 71 H ASP 71 6.268 1.715 4.729 480 HA ASP 71 HA ASP 71 7.360 -0.966 4.958 481 HB2 ASP 71 1HB ASP 71 6.795 1.276 6.824 482 HB3 ASP 71 2HB ASP 71 6.730 -0.353 7.493 483 H ARG 72 H ARG 72 4.331 0.441 4.575 484 HA ARG 72 HA ARG 72 2.912 -1.666 6.015 485 HB2 ARG 72 1HB ARG 72 2.177 0.975 4.862 486 HB3 ARG 72 2HB ARG 72 0.922 -0.256 4.923 487 HG2 ARG 72 1HG ARG 72 2.512 0.264 7.379 488 HG3 ARG 72 2HG ARG 72 1.284 1.436 6.899 489 HD2 ARG 72 1HD ARG 72 -0.375 -0.396 6.816 490 HD3 ARG 72 2HD ARG 72 0.864 -1.508 7.398 491 HE ARG 72 HE ARG 72 -0.573 0.465 8.942 492 HH11 ARG 72 2HH1 ARG 72 2.222 -1.603 8.756 493 HH12 ARG 72 1HH1 ARG 72 2.481 -1.625 10.469 494 HH21 ARG 72 2HH2 ARG 72 -0.241 0.444 11.199 495 HH22 ARG 72 1HH2 ARG 72 1.079 -0.461 11.857 496 H ILE 73 H ILE 73 3.634 -0.593 2.765 497 HA ILE 73 HA ILE 73 1.795 -2.401 1.496 498 HB ILE 73 HB ILE 73 4.083 -0.779 0.380 499 HG12 ILE 73 1HG1 ILE 73 1.128 -0.382 -0.063 500 HG13 ILE 73 2HG1 ILE 73 1.968 0.353 1.299 501 HG21 ILE 73 1HG2 ILE 73 3.363 -1.371 -1.813 502 HG22 ILE 73 2HG2 ILE 73 3.591 -2.868 -0.910 503 HG23 ILE 73 3HG2 ILE 73 1.965 -2.241 -1.183 504 HD11 ILE 73 1HD1 ILE 73 3.144 1.797 -0.034 505 HD12 ILE 73 2HD1 ILE 73 3.027 0.757 -1.453 506 HD13 ILE 73 3HD1 ILE 73 1.621 1.675 -0.914 507 H LYS 74 H LYS 74 5.268 -2.342 2.152 508 HA LYS 74 HA LYS 74 5.825 -4.771 0.761 509 HB2 LYS 74 1HB LYS 74 8.031 -4.608 1.699 510 HB3 LYS 74 2HB LYS 74 7.517 -2.995 1.224 511 HG2 LYS 74 1HG LYS 74 6.939 -2.507 3.560 512 HG3 LYS 74 2HG LYS 74 7.508 -4.113 4.021 513 HD2 LYS 74 1HD LYS 74 9.323 -2.284 2.509 514 HD3 LYS 74 2HD LYS 74 9.086 -2.037 4.241 515 HE2 LYS 74 1HE LYS 74 10.884 -3.455 4.268 516 HE3 LYS 74 2HE LYS 74 9.562 -4.619 4.343 517 HZ1 LYS 74 1HZ LYS 74 10.421 -5.547 2.541 518 HZ2 LYS 74 2HZ LYS 74 11.551 -4.304 2.348 519 HZ3 LYS 74 3HZ LYS 74 10.011 -4.160 1.663 520 H ALA 75 H ALA 75 5.094 -3.929 4.101 521 HA ALA 75 HA ALA 75 5.438 -6.684 4.972 522 HB1 ALA 75 1HB ALA 75 6.182 -4.763 6.376 523 HB2 ALA 75 2HB ALA 75 4.486 -4.327 6.589 524 HB3 ALA 75 3HB ALA 75 5.081 -5.873 7.193 525 H ALA 76 H ALA 76 3.100 -5.113 3.355 526 HA ALA 76 HA ALA 76 0.699 -5.474 4.635 527 HB1 ALA 76 1HB ALA 76 0.464 -4.428 2.611 528 HB2 ALA 76 2HB ALA 76 1.517 -5.569 1.773 529 HB3 ALA 76 3HB ALA 76 -0.127 -6.040 2.207 530 H SER 77 H SER 77 -0.988 -7.190 3.745 531 HA SER 77 HA SER 77 0.091 -9.786 4.542 532 HB2 SER 77 1HB SER 77 -2.648 -8.576 4.472 533 HB3 SER 77 2HB SER 77 -2.483 -10.332 4.453 534 HG SER 77 HG SER 77 -2.499 -8.886 6.558 535 H TYR 78 H TYR 78 -1.083 -11.706 3.424 536 HA TYR 78 HA TYR 78 -0.145 -12.097 0.924 537 HB2 TYR 78 1HB TYR 78 -1.022 -14.025 1.820 538 HB3 TYR 78 2HB TYR 78 -2.486 -13.227 2.383 539 HD1 TYR 78 1HD TYR 78 -4.206 -12.533 0.607 540 HD2 TYR 78 2HD TYR 78 -1.044 -15.276 -0.153 541 HE1 TYR 78 1HE TYR 78 -5.432 -13.397 -1.342 542 HE2 TYR 78 2HE TYR 78 -2.261 -16.147 -2.105 543 HH TYR 78 HH TYR 78 -4.578 -14.663 -3.641 544 H GLN 79 H GLN 79 -2.932 -10.223 1.790 545 HA GLN 79 HA GLN 79 -3.282 -9.510 -1.038 546 HB2 GLN 79 1HB GLN 79 -5.732 -9.388 -0.673 547 HB3 GLN 79 2HB GLN 79 -5.095 -11.020 -0.522 548 HG2 GLN 79 1HG GLN 79 -6.498 -10.942 1.274 549 HG3 GLN 79 2HG GLN 79 -4.986 -10.425 2.018 550 HE21 GLN 79 1HE2 GLN 79 -7.670 -8.953 0.216 551 HE22 GLN 79 2HE2 GLN 79 -7.866 -7.604 1.277 552 H LEU 80 H LEU 80 -3.397 -7.379 -1.424 553 HA LEU 80 HA LEU 80 -3.351 -5.586 0.893 554 HB2 LEU 80 1HB LEU 80 -1.486 -5.477 -0.713 555 HB3 LEU 80 2HB LEU 80 -2.628 -5.045 -1.984 556 HG LEU 80 HG LEU 80 -3.185 -3.009 -0.524 557 HD11 LEU 80 1HD1 LEU 80 -0.448 -3.251 0.580 558 HD12 LEU 80 2HD1 LEU 80 -1.724 -4.181 1.364 559 HD13 LEU 80 3HD1 LEU 80 -1.867 -2.428 1.228 560 HD21 LEU 80 1HD2 LEU 80 -1.094 -1.828 -1.352 561 HD22 LEU 80 2HD2 LEU 80 -2.068 -2.658 -2.565 562 HD23 LEU 80 3HD2 LEU 80 -0.580 -3.397 -1.973 563 H CYS 81 H CYS 81 -5.136 -4.527 1.415 564 HA CYS 81 HA CYS 81 -7.193 -4.122 -0.645 565 HB2 CYS 81 1HB CYS 81 -7.572 -5.365 1.657 566 HB3 CYS 81 2HB CYS 81 -7.740 -3.723 2.267 567 HG CYS 81 HG CYS 81 -10.285 -3.910 1.863 568 H LEU 82 H LEU 82 -6.849 -2.191 -1.575 569 HA LEU 82 HA LEU 82 -6.371 0.124 0.180 570 HB2 LEU 82 1HB LEU 82 -5.782 -0.201 -2.759 571 HB3 LEU 82 2HB LEU 82 -5.473 1.249 -1.807 572 HG LEU 82 HG LEU 82 -4.187 -1.364 -1.091 573 HD11 LEU 82 1HD1 LEU 82 -3.407 0.551 -3.260 574 HD12 LEU 82 2HD1 LEU 82 -3.495 -1.209 -3.310 575 HD13 LEU 82 3HD1 LEU 82 -2.202 -0.417 -2.410 576 HD21 LEU 82 1HD2 LEU 82 -4.175 1.255 -0.037 577 HD22 LEU 82 2HD2 LEU 82 -2.584 0.971 -0.744 578 HD23 LEU 82 3HD2 LEU 82 -3.218 -0.133 0.478 579 H LYS 83 H LYS 83 -8.006 1.479 0.447 580 HA LYS 83 HA LYS 83 -10.340 1.291 -1.271 581 HB2 LYS 83 1HB LYS 83 -10.653 1.372 1.156 582 HB3 LYS 83 2HB LYS 83 -9.840 2.931 1.220 583 HG2 LYS 83 1HG LYS 83 -11.694 3.696 -0.412 584 HG3 LYS 83 2HG LYS 83 -12.547 2.256 0.151 585 HD2 LYS 83 1HD LYS 83 -11.973 3.166 2.519 586 HD3 LYS 83 2HD LYS 83 -11.737 4.700 1.678 587 HE2 LYS 83 1HE LYS 83 -14.242 3.018 1.625 588 HE3 LYS 83 2HE LYS 83 -14.010 4.494 2.561 589 HZ1 LYS 83 1HZ LYS 83 -13.732 5.722 0.507 590 HZ2 LYS 83 2HZ LYS 83 -15.216 4.910 0.504 591 HZ3 LYS 83 3HZ LYS 83 -13.921 4.308 -0.402 592 H ILE 84 H ILE 84 -10.663 2.574 -2.956 593 HA ILE 84 HA ILE 84 -9.099 5.051 -3.164 594 HB ILE 84 HB ILE 84 -9.759 4.967 -5.591 595 HG12 ILE 84 1HG1 ILE 84 -10.422 2.077 -5.174 596 HG13 ILE 84 2HG1 ILE 84 -11.681 3.288 -4.955 597 HG21 ILE 84 1HG2 ILE 84 -7.595 4.304 -5.337 598 HG22 ILE 84 2HG2 ILE 84 -8.007 3.009 -4.215 599 HG23 ILE 84 3HG2 ILE 84 -8.280 2.796 -5.944 600 HD11 ILE 84 1HD1 ILE 84 -10.524 2.223 -7.388 601 HD12 ILE 84 2HD1 ILE 84 -12.042 3.084 -7.134 602 HD13 ILE 84 3HD1 ILE 84 -10.544 3.986 -7.360 603 H ASP 85 H ASP 85 -10.069 7.007 -3.717 604 HA ASP 85 HA ASP 85 -12.724 7.372 -2.726 605 HB2 ASP 85 1HB ASP 85 -11.172 9.140 -2.336 606 HB3 ASP 85 2HB ASP 85 -10.749 9.235 -4.044 607 H ARG 86 H ARG 86 -11.243 7.242 -5.913 608 HA ARG 86 HA ARG 86 -12.168 6.873 -7.968 609 HB2 ARG 86 1HB ARG 86 -13.892 5.579 -6.434 610 HB3 ARG 86 2HB ARG 86 -14.951 6.907 -6.890 611 HG2 ARG 86 1HG ARG 86 -14.204 6.318 -9.310 612 HG3 ARG 86 2HG ARG 86 -13.758 4.769 -8.591 613 HD2 ARG 86 1HD ARG 86 -16.000 4.630 -9.469 614 HD3 ARG 86 2HD ARG 86 -16.054 4.557 -7.708 615 HE ARG 86 HE ARG 86 -16.408 7.198 -8.289 616 HH11 ARG 86 2HH1 ARG 86 -17.996 4.243 -9.219 617 HH12 ARG 86 1HH1 ARG 86 -19.548 4.986 -9.417 618 HH21 ARG 86 2HH2 ARG 86 -18.446 8.188 -8.546 619 HH22 ARG 86 1HH2 ARG 86 -19.803 7.231 -9.035 620 H ALA 87 H ALA 87 -11.616 9.460 -7.066 621 HA ALA 87 HA ALA 87 -13.838 11.167 -7.807 622 HB1 ALA 87 1HB ALA 87 -11.842 11.526 -6.054 623 HB2 ALA 87 2HB ALA 87 -11.148 12.334 -7.460 624 HB3 ALA 87 3HB ALA 87 -12.707 12.857 -6.822 625 H GLU 88 H GLU 88 -14.296 11.495 -9.878 626 HA GLU 88 HA GLU 88 -12.764 10.824 -12.066 627 HB2 GLU 88 1HB GLU 88 -14.226 12.288 -13.381 628 HB3 GLU 88 2HB GLU 88 -15.147 11.344 -12.218 629 HG2 GLU 88 1HG GLU 88 -14.953 13.415 -10.706 630 HG3 GLU 88 2HG GLU 88 -14.511 14.265 -12.186 631 H THR 89 H THR 89 -13.116 14.072 -10.643 632 HA THR 89 HA THR 89 -10.527 14.779 -11.865 633 HB THR 89 HB THR 89 -12.674 16.811 -11.299 634 HG1 THR 89 1HG THR 89 -13.705 16.177 -13.028 635 HG21 THR 89 1HG2 THR 89 -10.031 17.070 -11.984 636 HG22 THR 89 2HG2 THR 89 -11.277 18.288 -12.254 637 HG23 THR 89 3HG2 THR 89 -10.838 17.173 -13.548 638 H ARG 90 H ARG 90 -11.402 13.766 -9.131 639 HA ARG 90 HA ARG 90 -11.105 14.255 -6.905 640 HB2 ARG 90 1HB ARG 90 -8.590 15.352 -8.170 641 HB3 ARG 90 2HB ARG 90 -8.788 15.092 -6.442 642 HG2 ARG 90 1HG ARG 90 -8.789 12.788 -6.656 643 HG3 ARG 90 2HG ARG 90 -9.228 12.847 -8.364 644 HD2 ARG 90 1HD ARG 90 -6.602 13.861 -7.298 645 HD3 ARG 90 2HD ARG 90 -6.840 12.205 -7.856 646 HE ARG 90 HE ARG 90 -7.608 14.228 -9.761 647 HH11 ARG 90 2HH1 ARG 90 -5.026 12.226 -8.558 648 HH12 ARG 90 1HH1 ARG 90 -4.109 12.300 -10.027 649 HH21 ARG 90 2HH2 ARG 90 -6.410 14.332 -11.700 650 HH22 ARG 90 1HH2 ARG 90 -4.897 13.499 -11.813 651 H LEU 91 H LEU 91 -12.863 16.062 -7.786 652 HA LEU 91 HA LEU 91 -12.332 18.740 -7.790 653 HB2 LEU 91 1HB LEU 91 -14.636 17.097 -6.920 654 HB3 LEU 91 2HB LEU 91 -14.626 18.786 -6.417 655 HG LEU 91 HG LEU 91 -15.877 18.141 -8.571 656 HD11 LEU 91 1HD1 LEU 91 -14.833 20.263 -9.703 657 HD12 LEU 91 2HD1 LEU 91 -14.002 20.418 -8.155 658 HD13 LEU 91 3HD1 LEU 91 -15.765 20.401 -8.212 659 HD21 LEU 91 1HD2 LEU 91 -14.739 17.618 -10.461 660 HD22 LEU 91 2HD2 LEU 91 -13.607 16.935 -9.292 661 HD23 LEU 91 3HD2 LEU 91 -13.306 18.529 -9.985 662 H TRP 92 H TRP 92 -12.345 20.396 -6.206 663 HA TRP 92 HA TRP 92 -10.978 19.648 -3.782 664 HB2 TRP 92 1HB TRP 92 -10.533 21.723 -5.249 665 HB3 TRP 92 2HB TRP 92 -11.936 22.423 -4.448 666 HD1 TRP 92 HD TRP 92 -11.346 21.351 -1.493 667 HE1 TRP 92 1HE TRP 92 -9.412 22.389 -0.149 668 HE3 TRP 92 3HE TRP 92 -8.613 23.280 -5.360 669 HZ2 TRP 92 2HZ TRP 92 -7.042 23.835 -0.660 670 HZ3 TRP 92 3HZ TRP 92 -6.525 24.477 -4.847 671 HH2 TRP 92 HH TRP 92 -5.758 24.748 -2.545 672 H SER 93 H SER 93 -12.588 18.460 -2.673 673 HA SER 93 HA SER 93 -14.453 20.166 -1.210 674 HB2 SER 93 1HB SER 93 -15.216 17.848 -2.946 675 HB3 SER 93 2HB SER 93 -16.140 18.164 -1.478 676 HG SER 93 HG SER 93 -16.584 20.236 -2.260 677 HA PRO 94 HA PRO 94 -13.082 17.812 2.237 678 HB2 PRO 94 1HB PRO 94 -15.211 18.110 3.895 679 HB3 PRO 94 2HB PRO 94 -14.071 19.417 3.550 680 HG2 PRO 94 1HG PRO 94 -16.775 18.901 2.373 681 HG3 PRO 94 2HG PRO 94 -16.061 20.434 2.907 682 HD2 PRO 94 1HD PRO 94 -16.161 19.704 0.302 683 HD3 PRO 94 2HD PRO 94 -14.841 20.687 0.968 684 H GLN 95 H GLN 95 -15.933 16.983 0.495 685 HA GLN 95 HA GLN 95 -16.860 14.774 1.921 686 HB2 GLN 95 1HB GLN 95 -18.157 15.679 0.111 687 HB3 GLN 95 2HB GLN 95 -16.876 15.340 -1.044 688 HG2 GLN 95 1HG GLN 95 -17.268 12.866 -0.194 689 HG3 GLN 95 2HG GLN 95 -18.863 13.516 0.180 690 HE21 GLN 95 1HE2 GLN 95 -17.685 11.619 -1.909 691 HE22 GLN 95 2HE2 GLN 95 -18.371 12.177 -3.393 692 H VAL 96 H VAL 96 -15.357 13.373 2.696 693 HA VAL 96 HA VAL 96 -13.293 12.310 0.954 694 HB VAL 96 HB VAL 96 -12.561 11.042 2.945 695 HG11 VAL 96 1HG1 VAL 96 -11.392 12.982 2.948 696 HG12 VAL 96 2HG1 VAL 96 -12.842 13.985 2.891 697 HG13 VAL 96 3HG1 VAL 96 -12.326 13.266 4.416 698 HG21 VAL 96 1HG2 VAL 96 -14.175 10.541 4.416 699 HG22 VAL 96 2HG2 VAL 96 -13.877 12.150 5.073 700 HG23 VAL 96 3HG2 VAL 96 -15.184 11.898 3.916 701 H SER 97 H SER 97 -14.861 11.321 -0.530 702 HA SER 97 HA SER 97 -16.139 9.601 -1.331 703 HB2 SER 97 1HB SER 97 -15.157 7.442 -1.056 704 HB3 SER 97 2HB SER 97 -13.829 8.601 -1.005 705 HG SER 97 HG SER 97 -15.097 7.381 1.224 706 H SER 98 H SER 98 -17.256 10.912 0.954 707 HA SER 98 HA SER 98 -18.386 8.825 2.623 708 HB2 SER 98 1HB SER 98 -19.348 10.584 3.918 709 HB3 SER 98 2HB SER 98 -17.727 11.124 3.479 710 HG SER 98 HG SER 98 -19.325 11.914 1.550 711 H GLY 99 H GLY 99 -19.151 10.457 -0.277 712 HA2 GLY 99 1HA GLY 99 -20.886 9.673 -1.710 713 HA3 GLY 99 2HA GLY 99 -21.785 9.158 -0.290 714 HA PRO 100 HA PRO 100 -24.157 12.817 -1.219 715 HB2 PRO 100 1HB PRO 100 -26.016 12.423 0.719 716 HB3 PRO 100 2HB PRO 100 -26.019 11.536 -0.810 717 HG2 PRO 100 1HG PRO 100 -25.003 10.682 1.873 718 HG3 PRO 100 2HG PRO 100 -25.947 9.759 0.689 719 HD2 PRO 100 1HD PRO 100 -23.270 9.465 0.966 720 HD3 PRO 100 2HD PRO 100 -24.096 9.271 -0.594 721 H SER 101 H SER 101 -24.482 14.838 -0.274 722 HA SER 101 HA SER 101 -22.985 15.282 2.222 723 HB2 SER 101 1HB SER 101 -22.835 17.670 1.401 724 HB3 SER 101 2HB SER 101 -21.972 16.487 0.418 725 HG SER 101 HG SER 101 -23.249 17.977 -0.817 726 H SER 102 H SER 102 -25.810 16.497 0.422 727 HA SER 102 HA SER 102 -26.926 18.054 2.427 728 HB2 SER 102 1HB SER 102 -27.682 17.944 0.031 729 HB3 SER 102 2HB SER 102 -28.493 16.426 0.414 730 HG SER 102 HG SER 102 -29.226 19.005 0.991 731 H GLY 103 H GLY 103 -27.392 14.600 1.758 732 HA2 GLY 103 1HA GLY 103 -27.491 13.403 4.059 733 HA3 GLY 103 2HA GLY 103 -28.952 14.363 4.238 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -25.181 -1.328 -2.364 2 HA2 GLY 1 1HA GLY 1 -22.847 -0.258 -2.229 3 HA3 GLY 1 2HA GLY 1 -24.137 0.768 -2.839 4 H SER 2 H SER 2 -21.585 0.851 -0.902 5 HA SER 2 HA SER 2 -22.318 1.824 1.562 6 HB2 SER 2 1HB SER 2 -19.955 1.487 0.408 7 HB3 SER 2 2HB SER 2 -20.102 3.220 0.122 8 HG SER 2 HG SER 2 -20.743 3.073 2.556 9 H SER 3 H SER 3 -22.628 3.921 2.421 10 HA SER 3 HA SER 3 -24.528 5.498 1.352 11 HB2 SER 3 1HB SER 3 -23.677 7.361 2.750 12 HB3 SER 3 2HB SER 3 -23.694 5.828 3.622 13 HG SER 3 HG SER 3 -21.505 7.275 2.608 14 H GLY 4 H GLY 4 -21.044 5.881 0.791 15 HA2 GLY 4 1HA GLY 4 -21.623 7.930 -1.234 16 HA3 GLY 4 2HA GLY 4 -20.048 7.603 -0.526 17 H SER 5 H SER 5 -18.814 7.141 -2.253 18 HA SER 5 HA SER 5 -19.671 4.881 -3.936 19 HB2 SER 5 1HB SER 5 -19.692 7.277 -4.994 20 HB3 SER 5 2HB SER 5 -17.943 7.065 -5.054 21 HG SER 5 HG SER 5 -18.787 4.863 -6.013 22 H SER 6 H SER 6 -18.142 4.575 -1.643 23 HA SER 6 HA SER 6 -15.405 4.701 -1.824 24 HB2 SER 6 1HB SER 6 -17.076 2.492 -0.603 25 HB3 SER 6 2HB SER 6 -15.357 2.737 -0.298 26 HG SER 6 HG SER 6 -17.527 4.407 0.404 27 H GLY 7 H GLY 7 -13.816 3.621 -2.862 28 HA2 GLY 7 1HA GLY 7 -14.674 1.611 -4.836 29 HA3 GLY 7 2HA GLY 7 -13.234 2.610 -4.965 30 H ASN 8 H ASN 8 -14.558 -0.339 -3.830 31 HA ASN 8 HA ASN 8 -12.371 -1.027 -2.098 32 HB2 ASN 8 1HB ASN 8 -13.430 -3.246 -2.007 33 HB3 ASN 8 2HB ASN 8 -14.602 -1.964 -1.716 34 HD21 ASN 8 1HD2 ASN 8 -13.372 -4.197 -4.134 35 HD22 ASN 8 2HD2 ASN 8 -14.819 -4.265 -5.075 36 H VAL 9 H VAL 9 -10.523 -2.041 -2.594 37 HA VAL 9 HA VAL 9 -10.270 -3.405 -5.171 38 HB VAL 9 HB VAL 9 -8.362 -1.260 -4.228 39 HG11 VAL 9 1HG1 VAL 9 -7.219 -3.180 -5.265 40 HG12 VAL 9 2HG1 VAL 9 -8.228 -2.984 -6.700 41 HG13 VAL 9 3HG1 VAL 9 -7.091 -1.716 -6.239 42 HG21 VAL 9 1HG2 VAL 9 -9.234 0.147 -5.780 43 HG22 VAL 9 2HG2 VAL 9 -9.673 -1.159 -6.881 44 HG23 VAL 9 3HG2 VAL 9 -10.682 -0.814 -5.476 45 H VAL 10 H VAL 10 -9.681 -5.398 -4.627 46 HA VAL 10 HA VAL 10 -7.683 -5.737 -2.485 47 HB VAL 10 HB VAL 10 -9.520 -7.938 -3.372 48 HG11 VAL 10 1HG1 VAL 10 -9.081 -8.822 -1.172 49 HG12 VAL 10 2HG1 VAL 10 -7.549 -8.437 -1.959 50 HG13 VAL 10 3HG1 VAL 10 -8.201 -7.361 -0.722 51 HG21 VAL 10 1HG2 VAL 10 -10.140 -5.904 -1.231 52 HG22 VAL 10 2HG2 VAL 10 -10.936 -6.007 -2.802 53 HG23 VAL 10 3HG2 VAL 10 -11.106 -7.322 -1.640 54 H LEU 11 H LEU 11 -5.787 -5.844 -3.571 55 HA LEU 11 HA LEU 11 -5.541 -7.295 -6.051 56 HB2 LEU 11 1HB LEU 11 -3.276 -6.246 -4.383 57 HB3 LEU 11 2HB LEU 11 -3.317 -6.525 -6.123 58 HG LEU 11 HG LEU 11 -4.924 -4.388 -4.732 59 HD11 LEU 11 1HD1 LEU 11 -2.659 -3.566 -6.385 60 HD12 LEU 11 2HD1 LEU 11 -2.201 -4.405 -4.903 61 HD13 LEU 11 3HD1 LEU 11 -3.207 -2.959 -4.822 62 HD21 LEU 11 1HD2 LEU 11 -4.252 -4.891 -7.629 63 HD22 LEU 11 2HD2 LEU 11 -5.098 -3.472 -7.012 64 HD23 LEU 11 3HD2 LEU 11 -5.834 -5.070 -6.870 65 HA PRO 12 HA PRO 12 -4.656 -11.208 -4.185 66 HB2 PRO 12 1HB PRO 12 -3.714 -12.445 -6.410 67 HB3 PRO 12 2HB PRO 12 -5.432 -12.132 -6.140 68 HG2 PRO 12 1HG PRO 12 -3.466 -10.600 -7.798 69 HG3 PRO 12 2HG PRO 12 -5.139 -11.050 -8.177 70 HD2 PRO 12 1HD PRO 12 -4.454 -8.575 -7.319 71 HD3 PRO 12 2HD PRO 12 -6.019 -9.321 -6.933 72 H GLY 13 H GLY 13 -2.960 -11.467 -2.873 73 HA2 GLY 13 1HA GLY 13 -0.264 -10.924 -3.947 74 HA3 GLY 13 2HA GLY 13 -0.708 -10.781 -2.253 75 HA PRO 14 HA PRO 14 0.583 -11.201 -0.887 76 HB2 PRO 14 1HB PRO 14 3.128 -11.953 -0.316 77 HB3 PRO 14 2HB PRO 14 1.723 -12.585 0.550 78 HG2 PRO 14 1HG PRO 14 3.290 -13.826 -1.679 79 HG3 PRO 14 2HG PRO 14 2.667 -14.575 -0.197 80 HD2 PRO 14 1HD PRO 14 1.429 -14.831 -2.591 81 HD3 PRO 14 2HD PRO 14 0.539 -14.799 -1.055 82 H ALA 15 H ALA 15 2.598 -9.721 -0.921 83 HA ALA 15 HA ALA 15 2.837 -8.503 -3.380 84 HB1 ALA 15 1HB ALA 15 3.752 -7.011 -2.015 85 HB2 ALA 15 2HB ALA 15 4.074 -8.243 -0.794 86 HB3 ALA 15 3HB ALA 15 5.244 -7.949 -2.080 87 HA PRO 16 HA PRO 16 4.979 -7.102 -3.886 88 HB2 PRO 16 1HB PRO 16 5.569 -6.622 -6.492 89 HB3 PRO 16 2HB PRO 16 6.807 -6.901 -5.263 90 HG2 PRO 16 1HG PRO 16 5.669 -8.806 -7.271 91 HG3 PRO 16 2HG PRO 16 7.357 -8.576 -6.779 92 HD2 PRO 16 1HD PRO 16 5.829 -10.604 -5.839 93 HD3 PRO 16 2HD PRO 16 7.104 -9.839 -4.868 94 H TRP 17 H TRP 17 3.784 -5.521 -5.425 95 HA TRP 17 HA TRP 17 1.272 -6.811 -6.265 96 HB2 TRP 17 1HB TRP 17 1.634 -3.946 -5.370 97 HB3 TRP 17 2HB TRP 17 0.112 -4.777 -5.684 98 HD1 TRP 17 HD TRP 17 2.351 -3.873 -2.914 99 HE1 TRP 17 1HE TRP 17 1.728 -5.161 -0.774 100 HE3 TRP 17 3HE TRP 17 -0.753 -7.386 -4.955 101 HZ2 TRP 17 2HZ TRP 17 0.133 -7.373 -0.048 102 HZ3 TRP 17 3HZ TRP 17 -1.786 -9.053 -3.469 103 HH2 TRP 17 HH TRP 17 -1.351 -9.045 -1.066 104 H GLY 18 H GLY 18 3.307 -3.959 -6.948 105 HA2 GLY 18 1HA GLY 18 4.137 -3.637 -9.215 106 HA3 GLY 18 2HA GLY 18 2.620 -4.305 -9.799 107 H PHE 19 H PHE 19 2.949 -1.943 -7.209 108 HA PHE 19 HA PHE 19 2.068 0.206 -8.969 109 HB2 PHE 19 1HB PHE 19 0.059 0.664 -7.896 110 HB3 PHE 19 2HB PHE 19 0.072 -1.097 -7.905 111 HD1 PHE 19 2HD PHE 19 0.530 -2.345 -5.848 112 HD2 PHE 19 1HD PHE 19 0.228 1.901 -5.862 113 HE1 PHE 19 2HE PHE 19 0.268 -2.359 -3.402 114 HE2 PHE 19 1HE PHE 19 -0.033 1.894 -3.416 115 HZ PHE 19 HZ PHE 19 -0.015 -0.238 -2.182 116 H ARG 20 H ARG 20 2.705 2.212 -8.308 117 HA ARG 20 HA ARG 20 4.439 2.285 -5.947 118 HB2 ARG 20 1HB ARG 20 4.204 4.335 -8.153 119 HB3 ARG 20 2HB ARG 20 5.457 4.241 -6.922 120 HG2 ARG 20 1HG ARG 20 4.985 2.171 -9.057 121 HG3 ARG 20 2HG ARG 20 6.204 3.446 -9.129 122 HD2 ARG 20 1HD ARG 20 6.131 1.636 -6.761 123 HD3 ARG 20 2HD ARG 20 6.813 1.039 -8.273 124 HE ARG 20 HE ARG 20 8.593 2.498 -8.029 125 HH11 ARG 20 2HH1 ARG 20 6.177 3.094 -5.594 126 HH12 ARG 20 1HH1 ARG 20 7.203 4.112 -4.640 127 HH21 ARG 20 2HH2 ARG 20 9.953 3.838 -6.781 128 HH22 ARG 20 1HH2 ARG 20 9.350 4.536 -5.316 129 H LEU 21 H LEU 21 4.512 4.610 -4.944 130 HA LEU 21 HA LEU 21 1.770 5.619 -4.617 131 HB2 LEU 21 1HB LEU 21 2.646 6.016 -2.151 132 HB3 LEU 21 2HB LEU 21 1.855 4.518 -2.640 133 HG LEU 21 HG LEU 21 4.049 3.447 -2.881 134 HD11 LEU 21 1HD1 LEU 21 6.056 4.581 -2.060 135 HD12 LEU 21 2HD1 LEU 21 5.127 6.064 -1.842 136 HD13 LEU 21 3HD1 LEU 21 5.368 5.405 -3.460 137 HD21 LEU 21 1HD2 LEU 21 4.165 2.921 -0.689 138 HD22 LEU 21 2HD2 LEU 21 2.688 3.881 -0.604 139 HD23 LEU 21 3HD2 LEU 21 4.238 4.607 -0.174 140 H SER 22 H SER 22 1.608 7.815 -3.932 141 HA SER 22 HA SER 22 4.085 9.382 -4.134 142 HB2 SER 22 1HB SER 22 2.501 9.263 -6.267 143 HB3 SER 22 2HB SER 22 1.609 10.496 -5.375 144 HG SER 22 HG SER 22 4.351 10.585 -6.110 145 H GLY 23 H GLY 23 3.415 11.829 -3.651 146 HA2 GLY 23 1HA GLY 23 2.891 13.266 -1.935 147 HA3 GLY 23 2HA GLY 23 1.306 12.510 -2.014 148 H GLY 24 H GLY 24 1.157 12.871 0.280 149 HA2 GLY 24 1HA GLY 24 1.301 10.801 1.932 150 HA3 GLY 24 2HA GLY 24 2.974 11.337 1.971 151 H ILE 25 H ILE 25 0.599 11.314 3.930 152 HA ILE 25 HA ILE 25 -0.278 13.826 4.586 153 HB ILE 25 HB ILE 25 -0.412 13.074 6.926 154 HG12 ILE 25 1HG1 ILE 25 0.748 10.426 6.177 155 HG13 ILE 25 2HG1 ILE 25 1.851 11.741 6.567 156 HG21 ILE 25 1HG2 ILE 25 -2.165 11.726 6.492 157 HG22 ILE 25 2HG2 ILE 25 -1.811 12.145 4.817 158 HG23 ILE 25 3HG2 ILE 25 -1.212 10.630 5.492 159 HD11 ILE 25 1HD1 ILE 25 -0.158 10.389 8.318 160 HD12 ILE 25 2HD1 ILE 25 1.569 10.637 8.582 161 HD13 ILE 25 3HD1 ILE 25 0.453 11.997 8.704 162 H ASP 26 H ASP 26 2.933 12.655 4.684 163 HA ASP 26 HA ASP 26 3.885 14.597 6.603 164 HB2 ASP 26 1HB ASP 26 5.047 12.507 6.565 165 HB3 ASP 26 2HB ASP 26 5.292 12.604 4.824 166 H PHE 27 H PHE 27 3.729 14.231 3.121 167 HA PHE 27 HA PHE 27 5.242 16.700 2.727 168 HB2 PHE 27 1HB PHE 27 4.133 14.731 0.715 169 HB3 PHE 27 2HB PHE 27 5.124 16.133 0.325 170 HD1 PHE 27 1HD PHE 27 5.116 12.872 2.058 171 HD2 PHE 27 2HD PHE 27 7.471 16.052 0.491 172 HE1 PHE 27 1HE PHE 27 7.145 11.513 2.358 173 HE2 PHE 27 2HE PHE 27 9.503 14.698 0.787 174 HZ PHE 27 HZ PHE 27 9.342 12.425 1.721 175 H ASN 28 H ASN 28 2.376 16.364 3.783 176 HA ASN 28 HA ASN 28 0.331 17.355 3.559 177 HB2 ASN 28 1HB ASN 28 2.300 19.427 2.663 178 HB3 ASN 28 2HB ASN 28 0.576 19.775 2.568 179 HD21 ASN 28 1HD2 ASN 28 2.351 21.200 4.169 180 HD22 ASN 28 2HD2 ASN 28 1.945 20.923 5.826 181 H GLN 29 H GLN 29 0.682 15.525 1.576 182 HA GLN 29 HA GLN 29 -0.870 16.718 -0.585 183 HB2 GLN 29 1HB GLN 29 1.835 15.506 -0.877 184 HB3 GLN 29 2HB GLN 29 0.647 15.172 -2.130 185 HG2 GLN 29 1HG GLN 29 1.061 17.990 -1.282 186 HG3 GLN 29 2HG GLN 29 2.281 17.220 -2.295 187 HE21 GLN 29 1HE2 GLN 29 1.603 16.358 -4.343 188 HE22 GLN 29 2HE2 GLN 29 0.258 17.059 -5.169 189 HA PRO 30 HA PRO 30 -3.172 12.988 -0.419 190 HB2 PRO 30 1HB PRO 30 -3.902 12.660 -3.014 191 HB3 PRO 30 2HB PRO 30 -4.587 13.915 -1.974 192 HG2 PRO 30 1HG PRO 30 -2.412 14.129 -4.019 193 HG3 PRO 30 2HG PRO 30 -3.768 15.229 -3.709 194 HD2 PRO 30 1HD PRO 30 -1.262 15.717 -2.807 195 HD3 PRO 30 2HD PRO 30 -2.712 16.229 -1.921 196 H LEU 31 H LEU 31 -2.868 10.818 -0.514 197 HA LEU 31 HA LEU 31 -0.386 9.857 -1.634 198 HB2 LEU 31 1HB LEU 31 -2.533 8.685 0.085 199 HB3 LEU 31 2HB LEU 31 -1.347 7.634 -0.687 200 HG LEU 31 HG LEU 31 -0.691 9.878 1.222 201 HD11 LEU 31 1HD1 LEU 31 -0.229 8.156 2.846 202 HD12 LEU 31 2HD1 LEU 31 -0.663 6.900 1.687 203 HD13 LEU 31 3HD1 LEU 31 -1.896 8.007 2.290 204 HD21 LEU 31 1HD2 LEU 31 0.901 8.157 -0.532 205 HD22 LEU 31 2HD2 LEU 31 1.445 8.186 1.145 206 HD23 LEU 31 3HD2 LEU 31 1.312 9.691 0.235 207 H VAL 32 H VAL 32 -0.542 9.824 -3.840 208 HA VAL 32 HA VAL 32 -2.597 8.036 -4.972 209 HB VAL 32 HB VAL 32 -2.403 9.321 -7.082 210 HG11 VAL 32 1HG1 VAL 32 -4.237 10.288 -6.286 211 HG12 VAL 32 2HG1 VAL 32 -3.638 10.162 -4.630 212 HG13 VAL 32 3HG1 VAL 32 -3.223 11.566 -5.615 213 HG21 VAL 32 1HG2 VAL 32 -0.329 10.350 -7.072 214 HG22 VAL 32 2HG2 VAL 32 -1.415 11.696 -6.728 215 HG23 VAL 32 3HG2 VAL 32 -0.511 10.935 -5.418 216 H ILE 33 H ILE 33 -1.969 6.766 -6.799 217 HA ILE 33 HA ILE 33 0.534 5.529 -6.534 218 HB ILE 33 HB ILE 33 -1.452 5.461 -8.803 219 HG12 ILE 33 1HG1 ILE 33 -0.787 3.411 -6.680 220 HG13 ILE 33 2HG1 ILE 33 -2.152 4.520 -6.600 221 HG21 ILE 33 1HG2 ILE 33 0.904 3.626 -8.403 222 HG22 ILE 33 2HG2 ILE 33 -0.251 3.611 -9.735 223 HG23 ILE 33 3HG2 ILE 33 0.870 4.960 -9.555 224 HD11 ILE 33 1HD1 ILE 33 -3.380 3.287 -7.996 225 HD12 ILE 33 2HD1 ILE 33 -2.018 2.960 -9.067 226 HD13 ILE 33 3HD1 ILE 33 -2.239 2.002 -7.604 227 H THR 34 H THR 34 2.411 5.621 -7.736 228 HA THR 34 HA THR 34 2.743 8.063 -9.341 229 HB THR 34 HB THR 34 5.280 7.322 -8.945 230 HG1 THR 34 1HG THR 34 5.536 6.296 -6.995 231 HG21 THR 34 1HG2 THR 34 5.328 9.242 -7.803 232 HG22 THR 34 2HG2 THR 34 4.333 8.573 -6.510 233 HG23 THR 34 3HG2 THR 34 3.570 9.271 -7.938 234 H ARG 35 H ARG 35 2.854 4.619 -9.445 235 HA ARG 35 HA ARG 35 3.140 4.628 -12.291 236 HB2 ARG 35 1HB ARG 35 5.530 4.778 -11.214 237 HB3 ARG 35 2HB ARG 35 5.283 3.065 -10.905 238 HG2 ARG 35 1HG ARG 35 6.472 3.249 -12.944 239 HG3 ARG 35 2HG ARG 35 4.818 2.783 -13.349 240 HD2 ARG 35 1HD ARG 35 4.277 5.006 -14.020 241 HD3 ARG 35 2HD ARG 35 5.798 5.630 -13.380 242 HE ARG 35 HE ARG 35 5.385 4.298 -15.908 243 HH11 ARG 35 2HH1 ARG 35 7.686 5.249 -13.475 244 HH12 ARG 35 1HH1 ARG 35 9.043 5.195 -14.551 245 HH21 ARG 35 2HH2 ARG 35 7.164 4.223 -17.334 246 HH22 ARG 35 1HH2 ARG 35 8.744 4.613 -16.746 247 H ILE 36 H ILE 36 2.894 2.477 -13.219 248 HA ILE 36 HA ILE 36 1.977 0.407 -11.367 249 HB ILE 36 HB ILE 36 0.309 1.514 -13.625 250 HG12 ILE 36 1HG1 ILE 36 0.134 2.743 -11.510 251 HG13 ILE 36 2HG1 ILE 36 -1.359 1.877 -11.855 252 HG21 ILE 36 1HG2 ILE 36 -0.014 -0.773 -13.854 253 HG22 ILE 36 2HG2 ILE 36 0.128 -1.067 -12.122 254 HG23 ILE 36 3HG2 ILE 36 -1.321 -0.299 -12.769 255 HD11 ILE 36 1HD1 ILE 36 0.189 0.124 -10.331 256 HD12 ILE 36 2HD1 ILE 36 0.362 1.706 -9.572 257 HD13 ILE 36 3HD1 ILE 36 -1.242 1.019 -9.823 258 H THR 37 H THR 37 2.169 -1.683 -12.134 259 HA THR 37 HA THR 37 4.014 -2.034 -14.318 260 HB THR 37 HB THR 37 2.639 -4.260 -12.825 261 HG1 THR 37 1HG THR 37 4.751 -4.008 -11.538 262 HG21 THR 37 1HG2 THR 37 4.577 -5.534 -13.372 263 HG22 THR 37 2HG2 THR 37 5.436 -4.101 -13.938 264 HG23 THR 37 3HG2 THR 37 4.064 -4.726 -14.852 265 HA PRO 38 HA PRO 38 0.875 -2.633 -17.397 266 HB2 PRO 38 1HB PRO 38 2.534 -3.471 -19.376 267 HB3 PRO 38 2HB PRO 38 2.402 -1.778 -18.886 268 HG2 PRO 38 1HG PRO 38 4.468 -3.811 -18.137 269 HG3 PRO 38 2HG PRO 38 4.684 -2.109 -18.588 270 HD2 PRO 38 1HD PRO 38 4.721 -2.951 -16.014 271 HD3 PRO 38 2HD PRO 38 4.115 -1.350 -16.487 272 H GLY 39 H GLY 39 -0.367 -4.362 -16.795 273 HA2 GLY 39 1HA GLY 39 -1.188 -6.506 -17.098 274 HA3 GLY 39 2HA GLY 39 0.280 -6.907 -17.977 275 H SER 40 H SER 40 -0.664 -6.045 -14.646 276 HA SER 40 HA SER 40 0.613 -8.472 -13.676 277 HB2 SER 40 1HB SER 40 2.295 -7.510 -12.467 278 HB3 SER 40 2HB SER 40 2.175 -6.279 -13.724 279 HG SER 40 HG SER 40 0.733 -5.144 -12.306 280 H LYS 41 H LYS 41 0.501 -8.205 -11.043 281 HA LYS 41 HA LYS 41 -2.193 -8.499 -10.399 282 HB2 LYS 41 1HB LYS 41 0.003 -7.729 -8.472 283 HB3 LYS 41 2HB LYS 41 -1.496 -8.567 -8.091 284 HG2 LYS 41 1HG LYS 41 0.311 -9.827 -10.073 285 HG3 LYS 41 2HG LYS 41 0.807 -9.840 -8.380 286 HD2 LYS 41 1HD LYS 41 -0.401 -11.846 -8.735 287 HD3 LYS 41 2HD LYS 41 -1.480 -10.770 -7.845 288 HE2 LYS 41 1HE LYS 41 -2.764 -10.304 -9.757 289 HE3 LYS 41 2HE LYS 41 -1.530 -10.942 -10.843 290 HZ1 LYS 41 1HZ LYS 41 -3.631 -12.320 -9.441 291 HZ2 LYS 41 2HZ LYS 41 -2.122 -13.070 -9.289 292 HZ3 LYS 41 3HZ LYS 41 -2.771 -12.780 -10.824 293 H ALA 42 H ALA 42 -0.184 -5.659 -10.485 294 HA ALA 42 HA ALA 42 -1.966 -4.003 -8.963 295 HB1 ALA 42 1HB ALA 42 0.630 -3.730 -10.223 296 HB2 ALA 42 2HB ALA 42 -0.382 -2.306 -10.468 297 HB3 ALA 42 3HB ALA 42 -0.048 -2.880 -8.834 298 H ALA 43 H ALA 43 -0.931 -3.671 -12.360 299 HA ALA 43 HA ALA 43 -3.011 -2.007 -13.156 300 HB1 ALA 43 1HB ALA 43 -1.309 -2.035 -14.683 301 HB2 ALA 43 2HB ALA 43 -1.106 -3.785 -14.591 302 HB3 ALA 43 3HB ALA 43 -2.462 -3.101 -15.486 303 H ALA 44 H ALA 44 -2.749 -5.544 -13.450 304 HA ALA 44 HA ALA 44 -5.080 -6.115 -14.779 305 HB1 ALA 44 1HB ALA 44 -3.427 -7.807 -14.195 306 HB2 ALA 44 2HB ALA 44 -3.883 -7.681 -12.496 307 HB3 ALA 44 3HB ALA 44 -5.040 -8.297 -13.675 308 H ALA 45 H ALA 45 -4.727 -4.813 -11.621 309 HA ALA 45 HA ALA 45 -7.466 -5.497 -10.863 310 HB1 ALA 45 1HB ALA 45 -6.633 -4.048 -8.787 311 HB2 ALA 45 2HB ALA 45 -6.256 -5.763 -8.962 312 HB3 ALA 45 3HB ALA 45 -5.063 -4.547 -9.418 313 H ASN 46 H ASN 46 -6.668 -3.541 -13.025 314 HA ASN 46 HA ASN 46 -7.455 -1.581 -13.868 315 HB2 ASN 46 1HB ASN 46 -9.315 -1.414 -11.500 316 HB3 ASN 46 2HB ASN 46 -9.552 -0.762 -13.119 317 HD21 ASN 46 1HD2 ASN 46 -11.470 -2.296 -11.911 318 HD22 ASN 46 2HD2 ASN 46 -11.598 -3.814 -12.728 319 H LEU 47 H LEU 47 -5.304 -1.678 -11.825 320 HA LEU 47 HA LEU 47 -5.575 0.826 -10.387 321 HB2 LEU 47 1HB LEU 47 -3.308 -1.150 -10.577 322 HB3 LEU 47 2HB LEU 47 -3.286 0.299 -9.575 323 HG LEU 47 HG LEU 47 -5.276 -1.942 -9.245 324 HD11 LEU 47 1HD1 LEU 47 -3.546 -1.903 -7.066 325 HD12 LEU 47 2HD1 LEU 47 -2.499 -1.789 -8.480 326 HD13 LEU 47 3HD1 LEU 47 -3.636 -3.128 -8.332 327 HD21 LEU 47 1HD2 LEU 47 -4.664 0.589 -7.777 328 HD22 LEU 47 2HD2 LEU 47 -5.323 -0.799 -6.911 329 HD23 LEU 47 3HD2 LEU 47 -6.224 -0.086 -8.250 330 H CYS 48 H CYS 48 -4.574 2.719 -10.865 331 HA CYS 48 HA CYS 48 -2.650 2.807 -13.059 332 HB2 CYS 48 1HB CYS 48 -3.833 4.495 -14.284 333 HB3 CYS 48 2HB CYS 48 -4.944 3.156 -14.019 334 HG CYS 48 HG CYS 48 -5.107 6.320 -12.921 335 HA PRO 49 HA PRO 49 -0.658 5.821 -10.568 336 HB2 PRO 49 1HB PRO 49 0.585 7.315 -12.463 337 HB3 PRO 49 2HB PRO 49 1.107 5.683 -12.031 338 HG2 PRO 49 1HG PRO 49 -0.567 6.586 -14.342 339 HG3 PRO 49 2HG PRO 49 0.755 5.405 -14.313 340 HD2 PRO 49 1HD PRO 49 -1.852 4.674 -14.317 341 HD3 PRO 49 2HD PRO 49 -0.595 3.725 -13.496 342 H GLY 50 H GLY 50 -2.376 6.986 -9.665 343 HA2 GLY 50 1HA GLY 50 -2.550 9.653 -9.933 344 HA3 GLY 50 2HA GLY 50 -3.644 9.102 -11.193 345 H ASP 51 H ASP 51 -4.366 6.720 -9.523 346 HA ASP 51 HA ASP 51 -6.666 7.802 -8.305 347 HB2 ASP 51 1HB ASP 51 -5.364 5.104 -8.319 348 HB3 ASP 51 2HB ASP 51 -6.690 5.419 -7.204 349 H VAL 52 H VAL 52 -7.210 8.142 -6.168 350 HA VAL 52 HA VAL 52 -4.968 8.685 -4.399 351 HB VAL 52 HB VAL 52 -7.899 9.183 -3.878 352 HG11 VAL 52 1HG1 VAL 52 -6.029 9.191 -2.035 353 HG12 VAL 52 2HG1 VAL 52 -5.665 10.778 -2.717 354 HG13 VAL 52 3HG1 VAL 52 -7.271 10.443 -2.067 355 HG21 VAL 52 1HG2 VAL 52 -7.712 11.317 -4.814 356 HG22 VAL 52 2HG2 VAL 52 -5.951 11.246 -4.857 357 HG23 VAL 52 3HG2 VAL 52 -6.900 10.268 -5.976 358 H ILE 53 H ILE 53 -4.668 7.781 -2.376 359 HA ILE 53 HA ILE 53 -6.093 5.247 -1.932 360 HB ILE 53 HB ILE 53 -3.434 6.119 -0.795 361 HG12 ILE 53 1HG1 ILE 53 -3.751 5.596 -3.370 362 HG13 ILE 53 2HG1 ILE 53 -2.348 5.001 -2.490 363 HG21 ILE 53 1HG2 ILE 53 -5.196 3.808 -0.351 364 HG22 ILE 53 2HG2 ILE 53 -3.494 3.423 -0.603 365 HG23 ILE 53 3HG2 ILE 53 -3.967 4.519 0.695 366 HD11 ILE 53 1HD1 ILE 53 -3.841 3.458 -4.058 367 HD12 ILE 53 2HD1 ILE 53 -3.009 2.847 -2.627 368 HD13 ILE 53 3HD1 ILE 53 -4.724 3.250 -2.546 369 H LEU 54 H LEU 54 -7.718 5.483 -0.539 370 HA LEU 54 HA LEU 54 -7.704 7.498 1.510 371 HB2 LEU 54 1HB LEU 54 -9.622 5.256 0.900 372 HB3 LEU 54 2HB LEU 54 -9.878 6.465 2.157 373 HG LEU 54 HG LEU 54 -9.548 7.200 -0.741 374 HD11 LEU 54 1HD1 LEU 54 -11.635 5.676 0.270 375 HD12 LEU 54 2HD1 LEU 54 -11.631 6.604 -1.230 376 HD13 LEU 54 3HD1 LEU 54 -12.258 7.326 0.251 377 HD21 LEU 54 1HD2 LEU 54 -9.997 9.305 -0.103 378 HD22 LEU 54 2HD2 LEU 54 -9.481 8.747 1.489 379 HD23 LEU 54 3HD2 LEU 54 -11.198 8.798 1.086 380 H ALA 55 H ALA 55 -7.538 3.955 1.432 381 HA ALA 55 HA ALA 55 -6.189 4.006 4.021 382 HB1 ALA 55 1HB ALA 55 -8.039 3.379 5.099 383 HB2 ALA 55 2HB ALA 55 -8.896 3.027 3.598 384 HB3 ALA 55 3HB ALA 55 -7.830 1.816 4.311 385 H ILE 56 H ILE 56 -4.628 2.485 4.218 386 HA ILE 56 HA ILE 56 -4.209 0.728 1.909 387 HB ILE 56 HB ILE 56 -2.273 1.508 4.093 388 HG12 ILE 56 1HG1 ILE 56 -2.306 2.394 1.204 389 HG13 ILE 56 2HG1 ILE 56 -3.002 3.342 2.514 390 HG21 ILE 56 1HG2 ILE 56 -0.840 0.004 3.292 391 HG22 ILE 56 2HG2 ILE 56 -2.196 -0.683 2.399 392 HG23 ILE 56 3HG2 ILE 56 -1.140 0.499 1.627 393 HD11 ILE 56 1HD1 ILE 56 -0.988 4.307 2.565 394 HD12 ILE 56 2HD1 ILE 56 -0.513 2.871 3.473 395 HD13 ILE 56 3HD1 ILE 56 -0.208 2.958 1.738 396 H ASP 57 H ASP 57 -4.092 -1.454 2.077 397 HA ASP 57 HA ASP 57 -4.854 -3.451 2.967 398 HB2 ASP 57 1HB ASP 57 -3.240 -4.339 4.577 399 HB3 ASP 57 2HB ASP 57 -2.417 -3.442 3.303 400 H GLY 58 H GLY 58 -6.571 -1.450 3.832 401 HA2 GLY 58 1HA GLY 58 -8.304 -1.273 5.344 402 HA3 GLY 58 2HA GLY 58 -7.645 -2.666 6.189 403 H PHE 59 H PHE 59 -6.117 0.459 5.508 404 HA PHE 59 HA PHE 59 -6.357 1.281 8.274 405 HB2 PHE 59 1HB PHE 59 -3.736 0.448 7.052 406 HB3 PHE 59 2HB PHE 59 -3.801 1.616 8.368 407 HD1 PHE 59 2HD PHE 59 -5.606 0.711 10.274 408 HD2 PHE 59 1HD PHE 59 -3.127 -1.642 7.738 409 HE1 PHE 59 2HE PHE 59 -5.693 -1.130 11.903 410 HE2 PHE 59 1HE PHE 59 -3.211 -3.488 9.363 411 HZ PHE 59 HZ PHE 59 -4.494 -3.233 11.450 412 H GLY 60 H GLY 60 -7.154 3.259 7.901 413 HA2 GLY 60 1HA GLY 60 -6.849 4.870 5.703 414 HA3 GLY 60 2HA GLY 60 -7.147 5.486 7.321 415 H THR 61 H THR 61 -5.577 6.683 5.191 416 HA THR 61 HA THR 61 -2.835 6.478 6.190 417 HB THR 61 HB THR 61 -2.175 7.781 4.252 418 HG1 THR 61 1HG THR 61 -4.931 8.231 4.091 419 HG21 THR 61 1HG2 THR 61 -2.141 5.788 3.247 420 HG22 THR 61 2HG2 THR 61 -3.722 6.181 2.572 421 HG23 THR 61 3HG2 THR 61 -3.608 5.276 4.081 422 H GLU 62 H GLU 62 -4.885 7.717 7.819 423 HA GLU 62 HA GLU 62 -4.597 10.560 7.661 424 HB2 GLU 62 1HB GLU 62 -5.901 10.647 9.660 425 HB3 GLU 62 2HB GLU 62 -6.573 9.371 8.654 426 HG2 GLU 62 1HG GLU 62 -5.188 7.752 10.015 427 HG3 GLU 62 2HG GLU 62 -4.888 9.091 11.121 428 H SER 63 H SER 63 -3.133 7.991 9.589 429 HA SER 63 HA SER 63 -1.201 9.965 10.620 430 HB2 SER 63 1HB SER 63 -2.753 8.871 12.322 431 HB3 SER 63 2HB SER 63 -1.903 7.363 11.983 432 HG SER 63 HG SER 63 -1.182 9.013 13.750 433 H MET 64 H MET 64 -1.213 8.232 8.158 434 HA MET 64 HA MET 64 1.290 6.773 8.696 435 HB2 MET 64 1HB MET 64 -0.059 5.051 8.021 436 HB3 MET 64 2HB MET 64 -1.087 6.093 7.047 437 HG2 MET 64 1HG MET 64 0.264 5.948 5.210 438 HG3 MET 64 2HG MET 64 1.712 5.632 6.164 439 HE1 MET 64 1HE MET 64 -1.730 4.093 6.526 440 HE2 MET 64 2HE MET 64 -1.693 3.817 4.785 441 HE3 MET 64 3HE MET 64 -1.582 2.452 5.897 442 H THR 65 H THR 65 2.911 8.041 8.044 443 HA THR 65 HA THR 65 2.654 9.926 5.906 444 HB THR 65 HB THR 65 4.996 10.435 6.277 445 HG1 THR 65 1HG THR 65 5.727 8.268 6.610 446 HG21 THR 65 1HG2 THR 65 4.934 10.911 8.733 447 HG22 THR 65 2HG2 THR 65 3.449 9.964 8.825 448 HG23 THR 65 3HG2 THR 65 3.497 11.438 7.859 449 H HIS 66 H HIS 66 4.008 9.960 3.988 450 HA HIS 66 HA HIS 66 3.726 7.919 2.262 451 HB2 HIS 66 1HB HIS 66 4.878 10.283 2.008 452 HB3 HIS 66 2HB HIS 66 6.356 9.338 2.166 453 HD1 HIS 66 1HD HIS 66 3.251 8.278 0.280 454 HD2 HIS 66 2HD HIS 66 7.192 9.379 -0.438 455 HE1 HIS 66 1HE HIS 66 3.634 7.846 -2.168 456 HE2 HIS 66 2HE HIS 66 6.050 8.440 -2.560 457 H ALA 67 H ALA 67 6.750 8.404 4.097 458 HA ALA 67 HA ALA 67 8.073 6.107 3.374 459 HB1 ALA 67 1HB ALA 67 9.542 6.562 5.055 460 HB2 ALA 67 2HB ALA 67 8.703 8.112 4.983 461 HB3 ALA 67 3HB ALA 67 8.270 6.931 6.219 462 H ASP 68 H ASP 68 5.659 6.509 5.931 463 HA ASP 68 HA ASP 68 5.855 3.899 6.986 464 HB2 ASP 68 1HB ASP 68 3.732 6.025 7.073 465 HB3 ASP 68 2HB ASP 68 3.441 4.434 7.770 466 H ALA 69 H ALA 69 3.946 5.279 4.372 467 HA ALA 69 HA ALA 69 2.251 3.056 3.955 468 HB1 ALA 69 1HB ALA 69 2.286 5.564 2.999 469 HB2 ALA 69 2HB ALA 69 2.962 4.706 1.614 470 HB3 ALA 69 3HB ALA 69 1.380 4.251 2.247 471 H GLN 70 H GLN 70 5.383 3.969 2.586 472 HA GLN 70 HA GLN 70 5.555 1.960 0.640 473 HB2 GLN 70 1HB GLN 70 7.976 2.939 2.113 474 HB3 GLN 70 2HB GLN 70 7.799 2.550 0.407 475 HG2 GLN 70 1HG GLN 70 6.113 4.578 0.482 476 HG3 GLN 70 2HG GLN 70 7.095 5.030 1.874 477 HE21 GLN 70 1HE2 GLN 70 6.767 6.206 -0.846 478 HE22 GLN 70 2HE2 GLN 70 8.374 6.347 -1.465 479 H ASP 71 H ASP 71 6.288 1.947 4.073 480 HA ASP 71 HA ASP 71 7.469 -0.689 3.988 481 HB2 ASP 71 1HB ASP 71 6.983 1.377 6.073 482 HB3 ASP 71 2HB ASP 71 7.113 -0.296 6.610 483 H ARG 72 H ARG 72 4.345 0.548 4.034 484 HA ARG 72 HA ARG 72 3.200 -1.700 5.494 485 HB2 ARG 72 1HB ARG 72 2.203 0.920 4.504 486 HB3 ARG 72 2HB ARG 72 1.036 -0.389 4.626 487 HG2 ARG 72 1HG ARG 72 2.794 0.124 6.960 488 HG3 ARG 72 2HG ARG 72 1.494 1.270 6.626 489 HD2 ARG 72 1HD ARG 72 -0.082 -0.674 6.555 490 HD3 ARG 72 2HD ARG 72 1.245 -1.693 7.113 491 HE ARG 72 HE ARG 72 -0.262 0.218 8.671 492 HH11 ARG 72 2HH1 ARG 72 2.632 -1.702 8.430 493 HH12 ARG 72 1HH1 ARG 72 2.941 -1.685 10.135 494 HH21 ARG 72 2HH2 ARG 72 0.134 0.247 10.917 495 HH22 ARG 72 1HH2 ARG 72 1.519 -0.577 11.549 496 H ILE 73 H ILE 73 3.591 -0.520 2.232 497 HA ILE 73 HA ILE 73 1.743 -2.393 1.070 498 HB ILE 73 HB ILE 73 3.845 -0.642 -0.207 499 HG12 ILE 73 1HG1 ILE 73 0.843 -0.338 -0.273 500 HG13 ILE 73 2HG1 ILE 73 1.846 0.432 0.952 501 HG21 ILE 73 1HG2 ILE 73 1.601 -2.049 -1.625 502 HG22 ILE 73 2HG2 ILE 73 2.993 -1.224 -2.324 503 HG23 ILE 73 3HG2 ILE 73 3.211 -2.751 -1.469 504 HD11 ILE 73 1HD1 ILE 73 1.536 1.057 -1.919 505 HD12 ILE 73 2HD1 ILE 73 1.733 2.131 -0.534 506 HD13 ILE 73 3HD1 ILE 73 3.131 1.291 -1.205 507 H LYS 74 H LYS 74 5.280 -2.086 1.222 508 HA LYS 74 HA LYS 74 5.866 -4.426 -0.231 509 HB2 LYS 74 1HB LYS 74 8.111 -4.197 0.596 510 HB3 LYS 74 2HB LYS 74 7.483 -2.589 0.258 511 HG2 LYS 74 1HG LYS 74 7.003 -2.302 2.657 512 HG3 LYS 74 2HG LYS 74 7.720 -3.885 2.966 513 HD2 LYS 74 1HD LYS 74 9.780 -2.903 1.721 514 HD3 LYS 74 2HD LYS 74 9.037 -1.344 2.089 515 HE2 LYS 74 1HE LYS 74 10.334 -1.591 3.949 516 HE3 LYS 74 2HE LYS 74 8.871 -2.402 4.507 517 HZ1 LYS 74 1HZ LYS 74 10.471 -4.269 3.163 518 HZ2 LYS 74 2HZ LYS 74 10.040 -4.241 4.798 519 HZ3 LYS 74 3HZ LYS 74 11.447 -3.457 4.281 520 H ALA 75 H ALA 75 5.238 -3.848 3.180 521 HA ALA 75 HA ALA 75 5.727 -6.664 3.800 522 HB1 ALA 75 1HB ALA 75 5.004 -4.436 5.696 523 HB2 ALA 75 2HB ALA 75 5.617 -6.037 6.111 524 HB3 ALA 75 3HB ALA 75 6.656 -4.885 5.271 525 H ALA 76 H ALA 76 3.342 -5.378 2.315 526 HA ALA 76 HA ALA 76 1.012 -5.545 3.795 527 HB1 ALA 76 1HB ALA 76 -0.112 -6.064 1.635 528 HB2 ALA 76 2HB ALA 76 0.976 -4.677 1.562 529 HB3 ALA 76 3HB ALA 76 1.482 -6.231 0.898 530 H SER 77 H SER 77 -0.709 -7.370 2.994 531 HA SER 77 HA SER 77 0.459 -9.904 3.927 532 HB2 SER 77 1HB SER 77 -2.371 -8.848 4.085 533 HB3 SER 77 2HB SER 77 -1.912 -10.489 4.537 534 HG SER 77 HG SER 77 -1.975 -8.717 6.219 535 H TYR 78 H TYR 78 -0.955 -11.851 3.152 536 HA TYR 78 HA TYR 78 -0.452 -12.443 0.574 537 HB2 TYR 78 1HB TYR 78 -2.555 -13.941 0.694 538 HB3 TYR 78 2HB TYR 78 -1.274 -14.210 1.869 539 HD1 TYR 78 1HD TYR 78 -1.556 -13.383 4.206 540 HD2 TYR 78 2HD TYR 78 -4.731 -13.270 1.376 541 HE1 TYR 78 1HE TYR 78 -3.172 -13.103 6.039 542 HE2 TYR 78 2HE TYR 78 -6.355 -12.989 3.201 543 HH TYR 78 HH TYR 78 -5.728 -13.635 6.336 544 H GLN 79 H GLN 79 -2.972 -10.354 1.719 545 HA GLN 79 HA GLN 79 -3.686 -9.752 -1.060 546 HB2 GLN 79 1HB GLN 79 -6.071 -9.564 -0.407 547 HB3 GLN 79 2HB GLN 79 -5.452 -11.205 -0.283 548 HG2 GLN 79 1HG GLN 79 -5.513 -11.201 2.018 549 HG3 GLN 79 2HG GLN 79 -5.447 -9.442 2.121 550 HE21 GLN 79 1HE2 GLN 79 -7.323 -8.252 1.892 551 HE22 GLN 79 2HE2 GLN 79 -8.893 -8.969 1.953 552 H LEU 80 H LEU 80 -3.767 -7.633 -1.494 553 HA LEU 80 HA LEU 80 -3.440 -5.776 0.750 554 HB2 LEU 80 1HB LEU 80 -1.726 -5.724 -0.983 555 HB3 LEU 80 2HB LEU 80 -2.957 -5.399 -2.202 556 HG LEU 80 HG LEU 80 -3.428 -3.238 -1.033 557 HD11 LEU 80 1HD1 LEU 80 -0.818 -3.281 0.308 558 HD12 LEU 80 2HD1 LEU 80 -2.053 -4.300 1.047 559 HD13 LEU 80 3HD1 LEU 80 -2.352 -2.576 0.821 560 HD21 LEU 80 1HD2 LEU 80 -0.970 -2.369 -1.657 561 HD22 LEU 80 2HD2 LEU 80 -2.188 -2.777 -2.866 562 HD23 LEU 80 3HD2 LEU 80 -0.934 -3.946 -2.448 563 H CYS 81 H CYS 81 -5.006 -4.415 1.322 564 HA CYS 81 HA CYS 81 -7.302 -4.106 -0.495 565 HB2 CYS 81 1HB CYS 81 -7.087 -4.418 2.455 566 HB3 CYS 81 2HB CYS 81 -8.356 -3.362 1.848 567 HG CYS 81 HG CYS 81 -8.776 -6.370 2.395 568 H LEU 82 H LEU 82 -6.916 -2.256 -1.581 569 HA LEU 82 HA LEU 82 -6.289 0.145 0.008 570 HB2 LEU 82 1HB LEU 82 -5.597 -0.577 -2.827 571 HB3 LEU 82 2HB LEU 82 -5.483 1.071 -2.212 572 HG LEU 82 HG LEU 82 -4.011 -1.169 -0.870 573 HD11 LEU 82 1HD1 LEU 82 -3.493 -1.179 -3.316 574 HD12 LEU 82 2HD1 LEU 82 -2.115 -0.832 -2.272 575 HD13 LEU 82 3HD1 LEU 82 -2.915 0.478 -3.140 576 HD21 LEU 82 1HD2 LEU 82 -4.357 1.459 -0.231 577 HD22 LEU 82 2HD2 LEU 82 -2.837 1.502 -1.125 578 HD23 LEU 82 3HD2 LEU 82 -3.000 0.460 0.290 579 H LYS 83 H LYS 83 -8.062 1.309 0.329 580 HA LYS 83 HA LYS 83 -10.249 1.245 -1.582 581 HB2 LYS 83 1HB LYS 83 -10.743 1.109 0.818 582 HB3 LYS 83 2HB LYS 83 -9.985 2.676 1.070 583 HG2 LYS 83 1HG LYS 83 -11.688 3.751 -0.272 584 HG3 LYS 83 2HG LYS 83 -12.424 2.187 -0.629 585 HD2 LYS 83 1HD LYS 83 -13.320 1.978 1.465 586 HD3 LYS 83 2HD LYS 83 -12.047 2.935 2.224 587 HE2 LYS 83 1HE LYS 83 -13.026 4.957 1.582 588 HE3 LYS 83 2HE LYS 83 -14.025 4.188 0.351 589 HZ1 LYS 83 1HZ LYS 83 -14.357 3.745 3.266 590 HZ2 LYS 83 2HZ LYS 83 -15.384 3.215 2.032 591 HZ3 LYS 83 3HZ LYS 83 -15.255 4.867 2.373 592 H ILE 84 H ILE 84 -10.472 2.672 -3.164 593 HA ILE 84 HA ILE 84 -8.915 5.157 -3.056 594 HB ILE 84 HB ILE 84 -9.363 5.313 -5.488 595 HG12 ILE 84 1HG1 ILE 84 -10.299 2.479 -5.500 596 HG13 ILE 84 2HG1 ILE 84 -11.470 3.739 -5.127 597 HG21 ILE 84 1HG2 ILE 84 -7.418 4.270 -5.709 598 HG22 ILE 84 2HG2 ILE 84 -7.652 3.528 -4.127 599 HG23 ILE 84 3HG2 ILE 84 -8.218 2.704 -5.580 600 HD11 ILE 84 1HD1 ILE 84 -10.295 4.757 -7.344 601 HD12 ILE 84 2HD1 ILE 84 -10.211 3.026 -7.668 602 HD13 ILE 84 3HD1 ILE 84 -11.768 3.787 -7.339 603 H ASP 85 H ASP 85 -9.907 7.126 -3.915 604 HA ASP 85 HA ASP 85 -12.650 7.381 -2.955 605 HB2 ASP 85 1HB ASP 85 -10.642 8.962 -2.393 606 HB3 ASP 85 2HB ASP 85 -11.009 9.681 -3.958 607 H ARG 86 H ARG 86 -12.106 6.024 -5.469 608 HA ARG 86 HA ARG 86 -12.573 6.131 -7.734 609 HB2 ARG 86 1HB ARG 86 -14.984 6.854 -6.149 610 HB3 ARG 86 2HB ARG 86 -15.084 7.023 -7.896 611 HG2 ARG 86 1HG ARG 86 -14.216 4.490 -6.530 612 HG3 ARG 86 2HG ARG 86 -15.888 4.838 -6.976 613 HD2 ARG 86 1HD ARG 86 -13.579 4.825 -8.913 614 HD3 ARG 86 2HD ARG 86 -14.647 3.450 -8.636 615 HE ARG 86 HE ARG 86 -15.232 5.828 -10.145 616 HH11 ARG 86 2HH1 ARG 86 -16.576 3.159 -8.359 617 HH12 ARG 86 1HH1 ARG 86 -18.107 3.218 -9.169 618 HH21 ARG 86 2HH2 ARG 86 -17.243 5.916 -11.219 619 HH22 ARG 86 1HH2 ARG 86 -18.485 4.786 -10.796 620 H ALA 87 H ALA 87 -10.948 8.200 -7.383 621 HA ALA 87 HA ALA 87 -11.892 10.779 -7.821 622 HB1 ALA 87 1HB ALA 87 -9.577 10.276 -7.220 623 HB2 ALA 87 2HB ALA 87 -9.312 9.573 -8.815 624 HB3 ALA 87 3HB ALA 87 -9.661 11.294 -8.657 625 H GLU 88 H GLU 88 -13.427 11.124 -9.339 626 HA GLU 88 HA GLU 88 -13.434 9.873 -11.895 627 HB2 GLU 88 1HB GLU 88 -15.271 11.432 -12.413 628 HB3 GLU 88 2HB GLU 88 -15.509 10.618 -10.873 629 HG2 GLU 88 1HG GLU 88 -14.726 12.605 -9.695 630 HG3 GLU 88 2HG GLU 88 -14.479 13.422 -11.237 631 H THR 89 H THR 89 -12.378 13.015 -10.693 632 HA THR 89 HA THR 89 -11.141 13.522 -13.321 633 HB THR 89 HB THR 89 -12.050 15.689 -11.427 634 HG1 THR 89 1HG THR 89 -13.740 15.877 -13.186 635 HG21 THR 89 1HG2 THR 89 -10.350 16.415 -12.967 636 HG22 THR 89 2HG2 THR 89 -11.899 17.068 -13.501 637 HG23 THR 89 3HG2 THR 89 -11.200 15.674 -14.323 638 H ARG 90 H ARG 90 -10.674 13.074 -10.005 639 HA ARG 90 HA ARG 90 -8.877 13.240 -8.619 640 HB2 ARG 90 1HB ARG 90 -7.601 13.006 -11.324 641 HB3 ARG 90 2HB ARG 90 -6.605 13.244 -9.895 642 HG2 ARG 90 1HG ARG 90 -7.576 11.218 -8.900 643 HG3 ARG 90 2HG ARG 90 -8.521 10.972 -10.370 644 HD2 ARG 90 1HD ARG 90 -5.510 11.079 -10.232 645 HD3 ARG 90 2HD ARG 90 -6.471 9.602 -10.312 646 HE ARG 90 HE ARG 90 -5.848 11.388 -12.478 647 HH11 ARG 90 2HH1 ARG 90 -8.067 8.979 -11.297 648 HH12 ARG 90 1HH1 ARG 90 -8.616 8.523 -12.876 649 HH21 ARG 90 2HH2 ARG 90 -6.563 10.796 -14.561 650 HH22 ARG 90 1HH2 ARG 90 -7.759 9.556 -14.732 651 H LEU 91 H LEU 91 -10.165 15.645 -9.090 652 HA LEU 91 HA LEU 91 -8.153 17.665 -9.627 653 HB2 LEU 91 1HB LEU 91 -10.594 17.792 -10.328 654 HB3 LEU 91 2HB LEU 91 -10.953 18.122 -8.634 655 HG LEU 91 HG LEU 91 -9.332 20.095 -8.872 656 HD11 LEU 91 1HD1 LEU 91 -8.630 20.796 -10.916 657 HD12 LEU 91 2HD1 LEU 91 -10.001 20.079 -11.761 658 HD13 LEU 91 3HD1 LEU 91 -8.667 19.060 -11.222 659 HD21 LEU 91 1HD2 LEU 91 -11.692 20.542 -10.611 660 HD22 LEU 91 2HD2 LEU 91 -11.111 21.466 -9.225 661 HD23 LEU 91 3HD2 LEU 91 -11.984 19.953 -8.974 662 H TRP 92 H TRP 92 -10.134 16.579 -6.891 663 HA TRP 92 HA TRP 92 -8.083 17.504 -5.057 664 HB2 TRP 92 1HB TRP 92 -9.651 19.442 -5.396 665 HB3 TRP 92 2HB TRP 92 -10.936 18.445 -4.720 666 HD1 TRP 92 HD TRP 92 -11.123 18.338 -2.132 667 HE1 TRP 92 1HE TRP 92 -9.791 19.368 -0.185 668 HE3 TRP 92 3HE TRP 92 -7.118 20.138 -4.750 669 HZ2 TRP 92 2HZ TRP 92 -7.364 20.760 0.191 670 HZ3 TRP 92 3HZ TRP 92 -5.335 21.307 -3.522 671 HH2 TRP 92 HH TRP 92 -5.458 21.611 -1.103 672 H SER 93 H SER 93 -8.792 16.951 -2.721 673 HA SER 93 HA SER 93 -10.013 14.275 -2.799 674 HB2 SER 93 1HB SER 93 -7.891 15.491 -1.046 675 HB3 SER 93 2HB SER 93 -8.783 14.060 -0.529 676 HG SER 93 HG SER 93 -7.292 13.069 -1.644 677 HA PRO 94 HA PRO 94 -13.057 16.905 -0.517 678 HB2 PRO 94 1HB PRO 94 -15.237 15.724 -1.621 679 HB3 PRO 94 2HB PRO 94 -14.382 17.068 -2.387 680 HG2 PRO 94 1HG PRO 94 -14.184 14.134 -2.944 681 HG3 PRO 94 2HG PRO 94 -14.256 15.487 -4.087 682 HD2 PRO 94 1HD PRO 94 -11.935 14.254 -3.435 683 HD3 PRO 94 2HD PRO 94 -12.019 15.981 -3.839 684 H GLN 95 H GLN 95 -15.334 15.784 0.356 685 HA GLN 95 HA GLN 95 -14.798 14.420 2.598 686 HB2 GLN 95 1HB GLN 95 -17.167 14.210 0.765 687 HB3 GLN 95 2HB GLN 95 -17.097 13.274 2.252 688 HG2 GLN 95 1HG GLN 95 -17.243 15.134 3.594 689 HG3 GLN 95 2HG GLN 95 -16.617 16.213 2.347 690 HE21 GLN 95 1HE2 GLN 95 -18.444 17.549 2.971 691 HE22 GLN 95 2HE2 GLN 95 -19.991 17.242 2.266 692 H VAL 96 H VAL 96 -14.377 12.369 3.280 693 HA VAL 96 HA VAL 96 -13.142 10.581 1.471 694 HB VAL 96 HB VAL 96 -14.074 10.106 4.306 695 HG11 VAL 96 1HG1 VAL 96 -12.767 8.367 2.327 696 HG12 VAL 96 2HG1 VAL 96 -12.016 8.391 3.923 697 HG13 VAL 96 3HG1 VAL 96 -13.716 7.953 3.754 698 HG21 VAL 96 1HG2 VAL 96 -11.240 10.540 3.451 699 HG22 VAL 96 2HG2 VAL 96 -12.306 11.918 3.730 700 HG23 VAL 96 3HG2 VAL 96 -11.980 10.777 5.035 701 H SER 97 H SER 97 -14.726 10.163 -0.133 702 HA SER 97 HA SER 97 -16.645 9.235 -1.029 703 HB2 SER 97 1HB SER 97 -16.573 6.834 -0.903 704 HB3 SER 97 2HB SER 97 -14.910 7.418 -0.864 705 HG SER 97 HG SER 97 -16.269 5.984 0.985 706 H SER 98 H SER 98 -17.630 10.776 0.853 707 HA SER 98 HA SER 98 -19.493 9.078 2.383 708 HB2 SER 98 1HB SER 98 -18.153 11.671 3.055 709 HB3 SER 98 2HB SER 98 -19.734 11.315 3.751 710 HG SER 98 HG SER 98 -17.561 10.571 4.781 711 H GLY 99 H GLY 99 -21.595 9.242 1.926 712 HA2 GLY 99 1HA GLY 99 -22.720 10.323 -0.253 713 HA3 GLY 99 2HA GLY 99 -23.601 10.209 1.263 714 HA PRO 100 HA PRO 100 -22.185 14.718 0.098 715 HB2 PRO 100 1HB PRO 100 -23.577 15.363 -2.143 716 HB3 PRO 100 2HB PRO 100 -21.934 14.712 -2.186 717 HG2 PRO 100 1HG PRO 100 -24.542 13.302 -2.601 718 HG3 PRO 100 2HG PRO 100 -23.027 13.143 -3.509 719 HD2 PRO 100 1HD PRO 100 -23.787 11.358 -1.619 720 HD3 PRO 100 2HD PRO 100 -22.084 11.747 -1.936 721 H SER 101 H SER 101 -23.347 15.517 1.773 722 HA SER 101 HA SER 101 -26.073 16.343 1.247 723 HB2 SER 101 1HB SER 101 -27.070 15.288 3.155 724 HB3 SER 101 2HB SER 101 -26.231 14.029 2.249 725 HG SER 101 HG SER 101 -25.819 13.933 4.514 726 H SER 102 H SER 102 -26.926 17.533 3.312 727 HA SER 102 HA SER 102 -25.055 19.618 3.855 728 HB2 SER 102 1HB SER 102 -27.475 20.046 3.629 729 HB3 SER 102 2HB SER 102 -27.773 19.104 5.089 730 HG SER 102 HG SER 102 -26.170 20.705 6.031 731 H GLY 103 H GLY 103 -23.334 18.518 4.908 732 HA2 GLY 103 1HA GLY 103 -22.302 18.519 7.071 733 HA3 GLY 103 2HA GLY 103 -23.861 18.110 7.774 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -27.267 11.648 6.842 2 HA2 GLY 1 1HA GLY 1 -27.633 10.712 4.641 3 HA3 GLY 1 2HA GLY 1 -26.430 11.833 4.020 4 H SER 2 H SER 2 -25.626 9.774 3.055 5 HA SER 2 HA SER 2 -23.991 8.254 4.975 6 HB2 SER 2 1HB SER 2 -25.355 7.501 2.425 7 HB3 SER 2 2HB SER 2 -23.867 6.661 2.861 8 HG SER 2 HG SER 2 -26.283 6.174 3.752 9 H SER 3 H SER 3 -23.943 9.570 1.669 10 HA SER 3 HA SER 3 -22.181 10.063 0.279 11 HB2 SER 3 1HB SER 3 -20.662 11.752 1.244 12 HB3 SER 3 2HB SER 3 -22.342 12.071 1.676 13 HG SER 3 HG SER 3 -20.209 11.264 3.273 14 H GLY 4 H GLY 4 -21.929 7.466 1.323 15 HA2 GLY 4 1HA GLY 4 -19.087 7.217 2.016 16 HA3 GLY 4 2HA GLY 4 -20.298 5.952 2.168 17 H SER 5 H SER 5 -19.104 8.029 -0.477 18 HA SER 5 HA SER 5 -19.318 5.831 -2.340 19 HB2 SER 5 1HB SER 5 -18.671 8.744 -2.540 20 HB3 SER 5 2HB SER 5 -18.178 7.676 -3.855 21 HG SER 5 HG SER 5 -20.158 7.821 -4.512 22 H SER 6 H SER 6 -17.769 4.452 -1.212 23 HA SER 6 HA SER 6 -14.968 5.220 -1.693 24 HB2 SER 6 1HB SER 6 -15.964 3.013 0.120 25 HB3 SER 6 2HB SER 6 -14.331 3.674 0.035 26 HG SER 6 HG SER 6 -16.066 5.657 0.495 27 H GLY 7 H GLY 7 -13.497 3.459 -2.348 28 HA2 GLY 7 1HA GLY 7 -14.868 1.407 -3.967 29 HA3 GLY 7 2HA GLY 7 -13.561 2.370 -4.639 30 H ASN 8 H ASN 8 -14.326 -0.517 -3.187 31 HA ASN 8 HA ASN 8 -11.861 -0.925 -1.752 32 HB2 ASN 8 1HB ASN 8 -12.750 -2.942 -1.064 33 HB3 ASN 8 2HB ASN 8 -14.223 -2.032 -1.388 34 HD21 ASN 8 1HD2 ASN 8 -14.542 -2.137 -4.020 35 HD22 ASN 8 2HD2 ASN 8 -14.695 -3.767 -4.572 36 H VAL 9 H VAL 9 -10.082 -2.066 -2.394 37 HA VAL 9 HA VAL 9 -10.071 -3.323 -5.031 38 HB VAL 9 HB VAL 9 -8.206 -1.089 -4.234 39 HG11 VAL 9 1HG1 VAL 9 -6.967 -2.983 -5.228 40 HG12 VAL 9 2HG1 VAL 9 -8.006 -2.881 -6.651 41 HG13 VAL 9 3HG1 VAL 9 -6.939 -1.539 -6.239 42 HG21 VAL 9 1HG2 VAL 9 -10.535 -0.730 -5.351 43 HG22 VAL 9 2HG2 VAL 9 -9.128 0.149 -5.950 44 HG23 VAL 9 3HG2 VAL 9 -9.708 -1.278 -6.809 45 H VAL 10 H VAL 10 -9.457 -5.326 -4.524 46 HA VAL 10 HA VAL 10 -7.300 -5.697 -2.559 47 HB VAL 10 HB VAL 10 -8.930 -7.978 -3.591 48 HG11 VAL 10 1HG1 VAL 10 -7.035 -8.424 -2.130 49 HG12 VAL 10 2HG1 VAL 10 -7.703 -7.339 -0.910 50 HG13 VAL 10 3HG1 VAL 10 -8.550 -8.830 -1.324 51 HG21 VAL 10 1HG2 VAL 10 -10.531 -7.542 -1.686 52 HG22 VAL 10 2HG2 VAL 10 -9.859 -5.913 -1.607 53 HG23 VAL 10 3HG2 VAL 10 -10.673 -6.460 -3.072 54 H LEU 11 H LEU 11 -5.355 -5.924 -3.436 55 HA LEU 11 HA LEU 11 -5.110 -7.169 -6.082 56 HB2 LEU 11 1HB LEU 11 -2.948 -5.733 -4.567 57 HB3 LEU 11 2HB LEU 11 -3.007 -6.106 -6.289 58 HG LEU 11 HG LEU 11 -4.750 -4.098 -4.860 59 HD11 LEU 11 1HD1 LEU 11 -2.355 -3.466 -5.074 60 HD12 LEU 11 2HD1 LEU 11 -3.455 -2.414 -5.964 61 HD13 LEU 11 3HD1 LEU 11 -2.512 -3.632 -6.823 62 HD21 LEU 11 1HD2 LEU 11 -5.816 -5.221 -6.802 63 HD22 LEU 11 2HD2 LEU 11 -4.485 -4.656 -7.812 64 HD23 LEU 11 3HD2 LEU 11 -5.561 -3.492 -7.038 65 HA PRO 12 HA PRO 12 -3.515 -10.859 -4.257 66 HB2 PRO 12 1HB PRO 12 -2.386 -11.918 -6.488 67 HB3 PRO 12 2HB PRO 12 -4.132 -11.899 -6.211 68 HG2 PRO 12 1HG PRO 12 -2.457 -10.057 -7.874 69 HG3 PRO 12 2HG PRO 12 -4.032 -10.782 -8.248 70 HD2 PRO 12 1HD PRO 12 -3.771 -8.227 -7.389 71 HD3 PRO 12 2HD PRO 12 -5.186 -9.226 -6.998 72 H GLY 13 H GLY 13 -1.650 -11.470 -3.288 73 HA2 GLY 13 1HA GLY 13 0.856 -10.233 -4.240 74 HA3 GLY 13 2HA GLY 13 0.431 -10.233 -2.535 75 HA PRO 14 HA PRO 14 1.943 -10.451 -1.315 76 HB2 PRO 14 1HB PRO 14 4.608 -10.834 -0.972 77 HB3 PRO 14 2HB PRO 14 3.385 -11.673 -0.010 78 HG2 PRO 14 1HG PRO 14 4.920 -12.647 -2.389 79 HG3 PRO 14 2HG PRO 14 4.538 -13.496 -0.880 80 HD2 PRO 14 1HD PRO 14 3.151 -13.900 -3.170 81 HD3 PRO 14 2HD PRO 14 2.399 -14.014 -1.566 82 H ALA 15 H ALA 15 4.166 -8.963 -1.471 83 HA ALA 15 HA ALA 15 3.881 -7.575 -3.909 84 HB1 ALA 15 1HB ALA 15 5.656 -7.354 -1.540 85 HB2 ALA 15 2HB ALA 15 6.140 -6.517 -3.016 86 HB3 ALA 15 3HB ALA 15 4.583 -6.158 -2.270 87 HA PRO 16 HA PRO 16 5.532 -5.986 -4.831 88 HB2 PRO 16 1HB PRO 16 5.621 -5.646 -7.523 89 HB3 PRO 16 2HB PRO 16 7.059 -5.577 -6.497 90 HG2 PRO 16 1HG PRO 16 6.034 -7.836 -8.172 91 HG3 PRO 16 2HG PRO 16 7.697 -7.253 -7.978 92 HD2 PRO 16 1HD PRO 16 6.757 -9.434 -6.678 93 HD3 PRO 16 2HD PRO 16 7.985 -8.360 -5.977 94 H TRP 17 H TRP 17 3.758 -4.797 -5.961 95 HA TRP 17 HA TRP 17 1.481 -6.604 -6.394 96 HB2 TRP 17 1HB TRP 17 1.443 -3.661 -5.695 97 HB3 TRP 17 2HB TRP 17 0.053 -4.741 -5.762 98 HD1 TRP 17 HD TRP 17 2.716 -3.507 -3.445 99 HE1 TRP 17 1HE TRP 17 2.509 -4.687 -1.166 100 HE3 TRP 17 3HE TRP 17 -0.613 -7.170 -4.725 101 HZ2 TRP 17 2HZ TRP 17 1.120 -6.880 -0.059 102 HZ3 TRP 17 3HZ TRP 17 -1.330 -8.769 -2.998 103 HH2 TRP 17 HH TRP 17 -0.480 -8.625 -0.713 104 H GLY 18 H GLY 18 3.247 -3.893 -7.766 105 HA2 GLY 18 1HA GLY 18 3.434 -3.799 -10.192 106 HA3 GLY 18 2HA GLY 18 1.756 -4.315 -10.279 107 H PHE 19 H PHE 19 1.887 -2.204 -7.779 108 HA PHE 19 HA PHE 19 1.262 0.090 -9.521 109 HB2 PHE 19 1HB PHE 19 -0.554 0.663 -8.210 110 HB3 PHE 19 2HB PHE 19 -0.608 -1.093 -8.101 111 HD1 PHE 19 2HD PHE 19 0.099 -2.233 -6.055 112 HD2 PHE 19 1HD PHE 19 -0.021 2.014 -6.313 113 HE1 PHE 19 2HE PHE 19 0.210 -2.085 -3.602 114 HE2 PHE 19 1HE PHE 19 0.092 2.169 -3.860 115 HZ PHE 19 HZ PHE 19 0.206 0.118 -2.501 116 H ARG 20 H ARG 20 1.826 2.175 -8.772 117 HA ARG 20 HA ARG 20 4.013 2.148 -6.803 118 HB2 ARG 20 1HB ARG 20 3.530 4.321 -8.828 119 HB3 ARG 20 2HB ARG 20 5.008 3.954 -7.949 120 HG2 ARG 20 1HG ARG 20 3.771 2.293 -10.134 121 HG3 ARG 20 2HG ARG 20 5.217 3.296 -10.263 122 HD2 ARG 20 1HD ARG 20 5.117 1.188 -8.162 123 HD3 ARG 20 2HD ARG 20 5.381 0.701 -9.836 124 HE ARG 20 HE ARG 20 7.178 2.710 -9.424 125 HH11 ARG 20 2HH1 ARG 20 6.473 -0.317 -7.856 126 HH12 ARG 20 1HH1 ARG 20 8.104 -0.576 -7.333 127 HH21 ARG 20 2HH2 ARG 20 9.329 2.381 -8.741 128 HH22 ARG 20 1HH2 ARG 20 9.728 0.960 -7.837 129 H LEU 21 H LEU 21 4.312 4.461 -5.819 130 HA LEU 21 HA LEU 21 1.712 5.623 -5.122 131 HB2 LEU 21 1HB LEU 21 2.815 5.806 -2.734 132 HB3 LEU 21 2HB LEU 21 1.887 4.390 -3.224 133 HG LEU 21 HG LEU 21 3.955 3.180 -3.684 134 HD11 LEU 21 1HD1 LEU 21 5.372 5.013 -4.365 135 HD12 LEU 21 2HD1 LEU 21 6.116 4.154 -3.018 136 HD13 LEU 21 3HD1 LEU 21 5.314 5.700 -2.742 137 HD21 LEU 21 1HD2 LEU 21 2.934 3.154 -1.421 138 HD22 LEU 21 2HD2 LEU 21 4.033 4.450 -0.951 139 HD23 LEU 21 3HD2 LEU 21 4.675 2.873 -1.413 140 H SER 22 H SER 22 1.791 7.790 -4.398 141 HA SER 22 HA SER 22 4.341 9.173 -4.394 142 HB2 SER 22 1HB SER 22 3.464 9.028 -6.813 143 HB3 SER 22 2HB SER 22 2.219 10.162 -6.291 144 HG SER 22 HG SER 22 4.988 10.537 -6.535 145 H GLY 23 H GLY 23 4.195 11.352 -3.596 146 HA2 GLY 23 1HA GLY 23 3.141 13.138 -2.512 147 HA3 GLY 23 2HA GLY 23 1.628 12.246 -2.562 148 H GLY 24 H GLY 24 1.265 12.818 -0.361 149 HA2 GLY 24 1HA GLY 24 1.496 11.026 1.561 150 HA3 GLY 24 2HA GLY 24 3.116 11.706 1.612 151 H ILE 25 H ILE 25 0.966 11.718 3.631 152 HA ILE 25 HA ILE 25 -0.239 14.241 3.843 153 HB ILE 25 HB ILE 25 -0.570 13.748 6.195 154 HG12 ILE 25 1HG1 ILE 25 0.995 11.209 5.969 155 HG13 ILE 25 2HG1 ILE 25 1.853 12.710 6.298 156 HG21 ILE 25 1HG2 ILE 25 -2.167 12.292 5.670 157 HG22 ILE 25 2HG2 ILE 25 -1.444 12.190 4.066 158 HG23 ILE 25 3HG2 ILE 25 -0.988 11.030 5.313 159 HD11 ILE 25 1HD1 ILE 25 1.345 12.519 8.437 160 HD12 ILE 25 2HD1 ILE 25 -0.373 12.579 8.042 161 HD13 ILE 25 3HD1 ILE 25 0.465 11.028 8.100 162 H ASP 26 H ASP 26 3.014 13.280 4.250 163 HA ASP 26 HA ASP 26 3.742 15.475 5.988 164 HB2 ASP 26 1HB ASP 26 5.050 13.538 6.315 165 HB3 ASP 26 2HB ASP 26 5.298 13.312 4.586 166 H PHE 27 H PHE 27 3.846 14.702 2.569 167 HA PHE 27 HA PHE 27 5.326 17.123 1.944 168 HB2 PHE 27 1HB PHE 27 4.229 14.890 0.234 169 HB3 PHE 27 2HB PHE 27 5.013 16.316 -0.438 170 HD1 PHE 27 1HD PHE 27 5.508 13.280 1.570 171 HD2 PHE 27 2HD PHE 27 7.380 16.591 -0.342 172 HE1 PHE 27 1HE PHE 27 7.701 12.201 1.856 173 HE2 PHE 27 2HE PHE 27 9.575 15.517 -0.060 174 HZ PHE 27 HZ PHE 27 9.738 13.319 1.040 175 H ASN 28 H ASN 28 2.379 16.811 2.959 176 HA ASN 28 HA ASN 28 0.422 17.947 2.733 177 HB2 ASN 28 1HB ASN 28 1.878 19.867 0.921 178 HB3 ASN 28 2HB ASN 28 0.528 20.198 2.003 179 HD21 ASN 28 1HD2 ASN 28 1.007 21.125 3.852 180 HD22 ASN 28 2HD2 ASN 28 2.550 21.111 4.629 181 H GLN 29 H GLN 29 0.840 15.800 0.966 182 HA GLN 29 HA GLN 29 -0.980 16.578 -1.171 183 HB2 GLN 29 1HB GLN 29 1.781 15.495 -1.586 184 HB3 GLN 29 2HB GLN 29 0.506 15.086 -2.726 185 HG2 GLN 29 1HG GLN 29 1.396 17.870 -2.007 186 HG3 GLN 29 2HG GLN 29 1.818 16.996 -3.478 187 HE21 GLN 29 1HE2 GLN 29 0.153 16.525 -4.988 188 HE22 GLN 29 2HE2 GLN 29 -1.275 17.494 -5.054 189 HA PRO 30 HA PRO 30 -2.855 12.732 -0.159 190 HB2 PRO 30 1HB PRO 30 -4.208 12.265 -2.466 191 HB3 PRO 30 2HB PRO 30 -4.699 13.496 -1.297 192 HG2 PRO 30 1HG PRO 30 -3.159 13.810 -3.845 193 HG3 PRO 30 2HG PRO 30 -4.473 14.812 -3.202 194 HD2 PRO 30 1HD PRO 30 -1.868 15.519 -2.997 195 HD3 PRO 30 2HD PRO 30 -3.073 15.948 -1.766 196 H LEU 31 H LEU 31 -2.409 10.590 -0.306 197 HA LEU 31 HA LEU 31 -0.169 9.761 -1.866 198 HB2 LEU 31 1HB LEU 31 -2.110 8.168 -0.199 199 HB3 LEU 31 2HB LEU 31 -0.622 7.532 -0.898 200 HG LEU 31 HG LEU 31 -0.583 9.842 1.019 201 HD11 LEU 31 1HD1 LEU 31 -0.331 6.950 1.810 202 HD12 LEU 31 2HD1 LEU 31 -1.814 7.885 2.001 203 HD13 LEU 31 3HD1 LEU 31 -0.351 8.366 2.861 204 HD21 LEU 31 1HD2 LEU 31 1.470 9.551 -0.113 205 HD22 LEU 31 2HD2 LEU 31 1.407 7.797 0.065 206 HD23 LEU 31 3HD2 LEU 31 1.684 8.819 1.477 207 H VAL 32 H VAL 32 -0.467 9.683 -4.023 208 HA VAL 32 HA VAL 32 -2.706 8.041 -5.019 209 HB VAL 32 HB VAL 32 -2.580 9.348 -7.123 210 HG11 VAL 32 1HG1 VAL 32 -3.696 10.107 -4.649 211 HG12 VAL 32 2HG1 VAL 32 -3.097 11.580 -5.414 212 HG13 VAL 32 3HG1 VAL 32 -4.242 10.545 -6.268 213 HG21 VAL 32 1HG2 VAL 32 -1.388 11.718 -6.428 214 HG22 VAL 32 2HG2 VAL 32 -0.294 10.520 -5.737 215 HG23 VAL 32 3HG2 VAL 32 -0.676 10.476 -7.458 216 H ILE 33 H ILE 33 -2.285 6.892 -7.039 217 HA ILE 33 HA ILE 33 0.202 5.508 -6.945 218 HB ILE 33 HB ILE 33 -1.994 5.428 -9.016 219 HG12 ILE 33 1HG1 ILE 33 -1.407 3.243 -7.061 220 HG13 ILE 33 2HG1 ILE 33 -2.297 4.658 -6.508 221 HG21 ILE 33 1HG2 ILE 33 0.652 4.349 -9.077 222 HG22 ILE 33 2HG2 ILE 33 -0.518 3.033 -9.001 223 HG23 ILE 33 3HG2 ILE 33 -0.624 4.233 -10.288 224 HD11 ILE 33 1HD1 ILE 33 -3.616 4.017 -8.806 225 HD12 ILE 33 2HD1 ILE 33 -3.157 2.433 -8.180 226 HD13 ILE 33 3HD1 ILE 33 -4.099 3.538 -7.180 227 H THR 34 H THR 34 1.947 5.586 -8.302 228 HA THR 34 HA THR 34 2.222 8.027 -9.874 229 HB THR 34 HB THR 34 4.456 7.912 -9.526 230 HG1 THR 34 1HG THR 34 5.610 5.903 -9.550 231 HG21 THR 34 1HG2 THR 34 4.202 5.800 -7.484 232 HG22 THR 34 2HG2 THR 34 3.077 7.149 -7.327 233 HG23 THR 34 3HG2 THR 34 4.815 7.447 -7.343 234 H ARG 35 H ARG 35 2.326 4.523 -10.274 235 HA ARG 35 HA ARG 35 1.683 4.777 -13.065 236 HB2 ARG 35 1HB ARG 35 4.265 4.982 -12.782 237 HB3 ARG 35 2HB ARG 35 4.199 3.250 -12.486 238 HG2 ARG 35 1HG ARG 35 4.580 3.254 -14.728 239 HG3 ARG 35 2HG ARG 35 2.815 3.259 -14.725 240 HD2 ARG 35 1HD ARG 35 2.786 5.654 -15.053 241 HD3 ARG 35 2HD ARG 35 4.543 5.722 -14.930 242 HE ARG 35 HE ARG 35 4.660 5.126 -17.126 243 HH11 ARG 35 2HH1 ARG 35 1.539 4.201 -15.891 244 HH12 ARG 35 1HH1 ARG 35 0.937 3.688 -17.432 245 HH21 ARG 35 2HH2 ARG 35 3.878 4.452 -19.160 246 HH22 ARG 35 1HH2 ARG 35 2.268 3.830 -19.291 247 H ILE 36 H ILE 36 1.050 2.781 -14.023 248 HA ILE 36 HA ILE 36 0.690 0.574 -12.105 249 HB ILE 36 HB ILE 36 -1.323 1.600 -14.107 250 HG12 ILE 36 1HG1 ILE 36 -1.147 2.838 -11.950 251 HG13 ILE 36 2HG1 ILE 36 -2.708 2.057 -12.177 252 HG21 ILE 36 1HG2 ILE 36 -2.526 -0.354 -12.541 253 HG22 ILE 36 2HG2 ILE 36 -2.071 -0.490 -14.238 254 HG23 ILE 36 3HG2 ILE 36 -0.961 -1.036 -12.982 255 HD11 ILE 36 1HD1 ILE 36 -1.883 1.827 -9.892 256 HD12 ILE 36 2HD1 ILE 36 -2.047 0.262 -10.689 257 HD13 ILE 36 3HD1 ILE 36 -0.453 0.990 -10.496 258 H THR 37 H THR 37 1.051 -1.459 -12.846 259 HA THR 37 HA THR 37 2.454 -1.731 -15.338 260 HB THR 37 HB THR 37 1.583 -3.998 -13.551 261 HG1 THR 37 1HG THR 37 3.930 -3.523 -12.794 262 HG21 THR 37 1HG2 THR 37 3.212 -5.254 -14.583 263 HG22 THR 37 2HG2 THR 37 4.176 -3.843 -15.019 264 HG23 THR 37 3HG2 THR 37 2.708 -4.221 -15.920 265 HA PRO 38 HA PRO 38 -1.339 -2.569 -17.580 266 HB2 PRO 38 1HB PRO 38 -0.155 -2.672 -20.021 267 HB3 PRO 38 2HB PRO 38 -0.535 -1.153 -19.201 268 HG2 PRO 38 1HG PRO 38 2.072 -2.615 -19.369 269 HG3 PRO 38 2HG PRO 38 1.752 -0.878 -19.526 270 HD2 PRO 38 1HD PRO 38 2.704 -1.983 -17.245 271 HD3 PRO 38 2HD PRO 38 1.635 -0.565 -17.246 272 H GLY 39 H GLY 39 -2.171 -4.559 -17.517 273 HA2 GLY 39 1HA GLY 39 -2.472 -6.757 -18.231 274 HA3 GLY 39 2HA GLY 39 -0.878 -6.707 -18.971 275 H SER 40 H SER 40 -1.884 -6.108 -15.616 276 HA SER 40 HA SER 40 -0.678 -8.580 -14.721 277 HB2 SER 40 1HB SER 40 1.159 -7.747 -13.613 278 HB3 SER 40 2HB SER 40 1.103 -6.620 -14.968 279 HG SER 40 HG SER 40 -0.093 -5.199 -13.588 280 H LYS 41 H LYS 41 -0.537 -8.315 -12.105 281 HA LYS 41 HA LYS 41 -3.185 -8.300 -11.224 282 HB2 LYS 41 1HB LYS 41 -0.675 -7.921 -9.581 283 HB3 LYS 41 2HB LYS 41 -2.251 -8.383 -8.952 284 HG2 LYS 41 1HG LYS 41 -2.125 -10.511 -9.821 285 HG3 LYS 41 2HG LYS 41 -0.962 -10.048 -11.065 286 HD2 LYS 41 1HD LYS 41 0.615 -9.575 -9.061 287 HD3 LYS 41 2HD LYS 41 -0.508 -10.592 -8.155 288 HE2 LYS 41 1HE LYS 41 -0.166 -12.209 -10.206 289 HE3 LYS 41 2HE LYS 41 1.336 -11.303 -10.384 290 HZ1 LYS 41 1HZ LYS 41 0.478 -12.670 -7.892 291 HZ2 LYS 41 2HZ LYS 41 1.959 -11.897 -8.157 292 HZ3 LYS 41 3HZ LYS 41 1.577 -13.308 -9.009 293 H ALA 42 H ALA 42 -1.051 -5.702 -11.792 294 HA ALA 42 HA ALA 42 -2.359 -3.863 -9.977 295 HB1 ALA 42 1HB ALA 42 -0.170 -3.544 -12.013 296 HB2 ALA 42 2HB ALA 42 -0.864 -2.177 -11.139 297 HB3 ALA 42 3HB ALA 42 -0.052 -3.469 -10.254 298 H ALA 43 H ALA 43 -1.727 -3.585 -13.473 299 HA ALA 43 HA ALA 43 -3.780 -1.757 -13.973 300 HB1 ALA 43 1HB ALA 43 -1.995 -2.003 -15.543 301 HB2 ALA 43 2HB ALA 43 -2.405 -3.696 -15.823 302 HB3 ALA 43 3HB ALA 43 -3.500 -2.422 -16.361 303 H ALA 44 H ALA 44 -3.754 -5.286 -14.105 304 HA ALA 44 HA ALA 44 -6.296 -5.629 -15.268 305 HB1 ALA 44 1HB ALA 44 -6.116 -7.901 -14.685 306 HB2 ALA 44 2HB ALA 44 -4.462 -7.363 -14.981 307 HB3 ALA 44 3HB ALA 44 -5.046 -7.552 -13.327 308 H ALA 45 H ALA 45 -5.322 -4.734 -12.090 309 HA ALA 45 HA ALA 45 -7.842 -5.476 -10.861 310 HB1 ALA 45 1HB ALA 45 -6.194 -5.725 -9.299 311 HB2 ALA 45 2HB ALA 45 -5.263 -4.351 -9.898 312 HB3 ALA 45 3HB ALA 45 -6.712 -4.080 -8.930 313 H ASN 46 H ASN 46 -7.432 -3.338 -13.054 314 HA ASN 46 HA ASN 46 -8.456 -1.399 -13.658 315 HB2 ASN 46 1HB ASN 46 -9.993 -1.527 -11.064 316 HB3 ASN 46 2HB ASN 46 -10.477 -0.762 -12.574 317 HD21 ASN 46 1HD2 ASN 46 -10.196 -2.534 -14.464 318 HD22 ASN 46 2HD2 ASN 46 -11.096 -3.975 -14.157 319 H LEU 47 H LEU 47 -6.013 -1.375 -12.101 320 HA LEU 47 HA LEU 47 -6.255 0.983 -10.406 321 HB2 LEU 47 1HB LEU 47 -3.831 -0.683 -11.067 322 HB3 LEU 47 2HB LEU 47 -3.923 0.582 -9.843 323 HG LEU 47 HG LEU 47 -5.403 -2.048 -9.783 324 HD11 LEU 47 1HD1 LEU 47 -3.239 -1.148 -7.912 325 HD12 LEU 47 2HD1 LEU 47 -2.875 -2.021 -9.400 326 HD13 LEU 47 3HD1 LEU 47 -3.884 -2.770 -8.163 327 HD21 LEU 47 1HD2 LEU 47 -5.316 -0.711 -7.276 328 HD22 LEU 47 2HD2 LEU 47 -6.724 -1.155 -8.242 329 HD23 LEU 47 3HD2 LEU 47 -5.946 0.411 -8.482 330 H CYS 48 H CYS 48 -5.261 2.941 -10.813 331 HA CYS 48 HA CYS 48 -3.799 3.294 -13.307 332 HB2 CYS 48 1HB CYS 48 -6.501 4.432 -12.739 333 HB3 CYS 48 2HB CYS 48 -5.347 5.418 -13.628 334 HG CYS 48 HG CYS 48 -5.030 3.593 -15.712 335 HA PRO 49 HA PRO 49 -1.463 6.072 -10.825 336 HB2 PRO 49 1HB PRO 49 -0.332 7.579 -12.780 337 HB3 PRO 49 2HB PRO 49 0.164 5.916 -12.441 338 HG2 PRO 49 1HG PRO 49 -1.669 6.949 -14.571 339 HG3 PRO 49 2HG PRO 49 -0.395 5.722 -14.690 340 HD2 PRO 49 1HD PRO 49 -3.018 5.083 -14.486 341 HD3 PRO 49 2HD PRO 49 -1.732 4.066 -13.805 342 H GLY 50 H GLY 50 -3.111 7.237 -9.769 343 HA2 GLY 50 1HA GLY 50 -3.187 9.931 -9.946 344 HA3 GLY 50 2HA GLY 50 -4.412 9.446 -11.109 345 H ASP 51 H ASP 51 -5.020 7.039 -9.403 346 HA ASP 51 HA ASP 51 -7.197 8.118 -7.994 347 HB2 ASP 51 1HB ASP 51 -5.891 5.441 -8.149 348 HB3 ASP 51 2HB ASP 51 -7.018 5.734 -6.827 349 H VAL 52 H VAL 52 -7.603 8.223 -5.736 350 HA VAL 52 HA VAL 52 -5.196 8.857 -4.186 351 HB VAL 52 HB VAL 52 -8.082 9.540 -3.608 352 HG11 VAL 52 1HG1 VAL 52 -6.621 9.310 -1.608 353 HG12 VAL 52 2HG1 VAL 52 -5.583 10.572 -2.274 354 HG13 VAL 52 3HG1 VAL 52 -7.254 10.938 -1.843 355 HG21 VAL 52 1HG2 VAL 52 -7.039 10.651 -5.611 356 HG22 VAL 52 2HG2 VAL 52 -7.603 11.747 -4.350 357 HG23 VAL 52 3HG2 VAL 52 -5.883 11.392 -4.505 358 H ILE 53 H ILE 53 -4.579 7.682 -2.480 359 HA ILE 53 HA ILE 53 -6.097 5.293 -1.826 360 HB ILE 53 HB ILE 53 -3.464 6.161 -0.640 361 HG12 ILE 53 1HG1 ILE 53 -3.683 5.896 -3.256 362 HG13 ILE 53 2HG1 ILE 53 -2.299 5.226 -2.399 363 HG21 ILE 53 1HG2 ILE 53 -5.132 3.720 -0.541 364 HG22 ILE 53 2HG2 ILE 53 -3.388 3.492 -0.653 365 HG23 ILE 53 3HG2 ILE 53 -4.072 4.421 0.681 366 HD11 ILE 53 1HD1 ILE 53 -4.567 3.399 -2.603 367 HD12 ILE 53 2HD1 ILE 53 -3.868 3.870 -4.153 368 HD13 ILE 53 3HD1 ILE 53 -2.852 3.129 -2.916 369 H LEU 54 H LEU 54 -7.696 5.511 -0.400 370 HA LEU 54 HA LEU 54 -7.684 7.543 1.629 371 HB2 LEU 54 1HB LEU 54 -9.553 5.244 1.085 372 HB3 LEU 54 2HB LEU 54 -9.813 6.453 2.342 373 HG LEU 54 HG LEU 54 -9.482 7.350 -0.485 374 HD11 LEU 54 1HD1 LEU 54 -12.182 6.592 0.548 375 HD12 LEU 54 2HD1 LEU 54 -11.171 5.396 -0.262 376 HD13 LEU 54 3HD1 LEU 54 -11.652 6.865 -1.112 377 HD21 LEU 54 1HD2 LEU 54 -9.917 8.631 1.895 378 HD22 LEU 54 2HD2 LEU 54 -11.545 8.503 1.230 379 HD23 LEU 54 3HD2 LEU 54 -10.271 9.290 0.298 380 H ALA 55 H ALA 55 -7.515 3.991 1.625 381 HA ALA 55 HA ALA 55 -6.087 4.117 4.177 382 HB1 ALA 55 1HB ALA 55 -8.578 2.509 3.671 383 HB2 ALA 55 2HB ALA 55 -7.453 2.151 4.982 384 HB3 ALA 55 3HB ALA 55 -8.288 3.704 4.936 385 H ILE 56 H ILE 56 -4.829 2.228 4.643 386 HA ILE 56 HA ILE 56 -4.294 0.567 2.267 387 HB ILE 56 HB ILE 56 -2.301 1.526 4.324 388 HG12 ILE 56 1HG1 ILE 56 -2.299 2.147 1.378 389 HG13 ILE 56 2HG1 ILE 56 -3.189 3.146 2.521 390 HG21 ILE 56 1HG2 ILE 56 -2.182 -0.822 2.984 391 HG22 ILE 56 2HG2 ILE 56 -1.363 0.250 1.849 392 HG23 ILE 56 3HG2 ILE 56 -0.770 0.097 3.503 393 HD11 ILE 56 1HD1 ILE 56 -0.443 3.242 1.842 394 HD12 ILE 56 2HD1 ILE 56 -1.340 4.266 2.964 395 HD13 ILE 56 3HD1 ILE 56 -0.574 2.786 3.541 396 H ASP 57 H ASP 57 -4.296 -1.585 2.526 397 HA ASP 57 HA ASP 57 -4.897 -3.561 3.534 398 HB2 ASP 57 1HB ASP 57 -2.563 -2.549 5.150 399 HB3 ASP 57 2HB ASP 57 -3.262 -4.143 5.420 400 H GLY 58 H GLY 58 -6.487 -1.320 4.418 401 HA2 GLY 58 1HA GLY 58 -8.272 -1.207 5.909 402 HA3 GLY 58 2HA GLY 58 -7.548 -2.515 6.833 403 H PHE 59 H PHE 59 -6.016 0.529 5.908 404 HA PHE 59 HA PHE 59 -6.232 1.525 8.638 405 HB2 PHE 59 1HB PHE 59 -3.679 0.671 7.326 406 HB3 PHE 59 2HB PHE 59 -3.662 2.034 8.441 407 HD1 PHE 59 1HD PHE 59 -4.516 -1.553 8.142 408 HD2 PHE 59 2HD PHE 59 -3.686 1.699 10.760 409 HE1 PHE 59 1HE PHE 59 -4.397 -3.115 10.040 410 HE2 PHE 59 2HE PHE 59 -3.565 0.142 12.661 411 HZ PHE 59 HZ PHE 59 -3.919 -2.268 12.303 412 H GLY 60 H GLY 60 -7.195 3.418 8.195 413 HA2 GLY 60 1HA GLY 60 -7.032 4.928 5.890 414 HA3 GLY 60 2HA GLY 60 -7.414 5.588 7.473 415 H THR 61 H THR 61 -5.825 6.656 5.182 416 HA THR 61 HA THR 61 -3.140 6.825 6.307 417 HB THR 61 HB THR 61 -2.507 7.979 4.281 418 HG1 THR 61 1HG THR 61 -5.304 7.984 3.736 419 HG21 THR 61 1HG2 THR 61 -3.957 6.141 2.726 420 HG22 THR 61 2HG2 THR 61 -3.734 5.380 4.301 421 HG23 THR 61 3HG2 THR 61 -2.335 5.945 3.388 422 H GLU 62 H GLU 62 -5.069 7.968 7.944 423 HA GLU 62 HA GLU 62 -5.367 10.759 7.519 424 HB2 GLU 62 1HB GLU 62 -6.173 10.841 9.810 425 HB3 GLU 62 2HB GLU 62 -6.867 9.457 8.977 426 HG2 GLU 62 1HG GLU 62 -5.032 8.073 10.030 427 HG3 GLU 62 2HG GLU 62 -4.687 9.476 11.039 428 H SER 63 H SER 63 -3.035 8.793 9.287 429 HA SER 63 HA SER 63 -1.305 11.157 9.495 430 HB2 SER 63 1HB SER 63 -0.623 10.507 11.757 431 HB3 SER 63 2HB SER 63 -2.362 10.794 11.696 432 HG SER 63 HG SER 63 -2.678 8.557 11.617 433 H MET 64 H MET 64 -1.399 8.844 7.670 434 HA MET 64 HA MET 64 1.116 7.495 8.371 435 HB2 MET 64 1HB MET 64 -0.374 5.797 7.899 436 HB3 MET 64 2HB MET 64 -1.231 6.740 6.687 437 HG2 MET 64 1HG MET 64 0.223 6.190 5.023 438 HG3 MET 64 2HG MET 64 1.580 5.978 6.127 439 HE1 MET 64 1HE MET 64 -1.959 4.074 5.105 440 HE2 MET 64 2HE MET 64 -1.818 2.961 6.465 441 HE3 MET 64 3HE MET 64 -1.873 4.701 6.751 442 H THR 65 H THR 65 2.767 8.702 7.641 443 HA THR 65 HA THR 65 2.655 10.314 5.304 444 HB THR 65 HB THR 65 4.913 10.861 5.698 445 HG1 THR 65 1HG THR 65 5.334 8.778 7.537 446 HG21 THR 65 1HG2 THR 65 4.888 11.610 7.893 447 HG22 THR 65 2HG2 THR 65 4.106 10.147 8.491 448 HG23 THR 65 3HG2 THR 65 3.175 11.334 7.578 449 H HIS 66 H HIS 66 4.300 10.071 3.514 450 HA HIS 66 HA HIS 66 3.788 7.879 1.951 451 HB2 HIS 66 1HB HIS 66 5.032 10.132 1.435 452 HB3 HIS 66 2HB HIS 66 6.479 9.182 1.760 453 HD1 HIS 66 1HD HIS 66 3.335 8.557 -0.309 454 HD2 HIS 66 2HD HIS 66 7.472 8.285 -0.575 455 HE1 HIS 66 1HE HIS 66 3.804 7.665 -2.614 456 HE2 HIS 66 2HE HIS 66 6.309 7.429 -2.721 457 H ALA 67 H ALA 67 6.684 8.383 3.965 458 HA ALA 67 HA ALA 67 7.939 5.953 3.433 459 HB1 ALA 67 1HB ALA 67 8.021 7.592 5.963 460 HB2 ALA 67 2HB ALA 67 9.158 6.314 5.533 461 HB3 ALA 67 3HB ALA 67 9.071 7.781 4.558 462 H ASP 68 H ASP 68 5.477 6.774 5.827 463 HA ASP 68 HA ASP 68 5.521 4.360 7.264 464 HB2 ASP 68 1HB ASP 68 3.471 6.514 6.868 465 HB3 ASP 68 2HB ASP 68 3.045 5.042 7.735 466 H ALA 69 H ALA 69 3.645 5.366 4.433 467 HA ALA 69 HA ALA 69 2.003 3.113 4.220 468 HB1 ALA 69 1HB ALA 69 1.698 5.229 2.965 469 HB2 ALA 69 2HB ALA 69 3.063 4.778 1.942 470 HB3 ALA 69 3HB ALA 69 1.602 3.790 1.948 471 H GLN 70 H GLN 70 5.309 3.666 3.185 472 HA GLN 70 HA GLN 70 5.578 1.441 1.484 473 HB2 GLN 70 1HB GLN 70 7.769 2.651 3.169 474 HB3 GLN 70 2HB GLN 70 7.944 1.781 1.650 475 HG2 GLN 70 1HG GLN 70 6.288 4.243 1.664 476 HG3 GLN 70 2HG GLN 70 8.039 4.413 1.775 477 HE21 GLN 70 1HE2 GLN 70 7.355 5.553 -0.325 478 HE22 GLN 70 2HE2 GLN 70 7.467 4.597 -1.759 479 H ASP 71 H ASP 71 5.908 1.811 4.963 480 HA ASP 71 HA ASP 71 6.986 -0.804 5.396 481 HB2 ASP 71 1HB ASP 71 7.027 1.371 6.909 482 HB3 ASP 71 2HB ASP 71 5.547 0.669 7.558 483 H ARG 72 H ARG 72 3.910 0.342 4.651 484 HA ARG 72 HA ARG 72 2.519 -1.837 6.009 485 HB2 ARG 72 1HB ARG 72 1.631 0.631 4.551 486 HB3 ARG 72 2HB ARG 72 0.502 -0.688 4.830 487 HG2 ARG 72 1HG ARG 72 2.049 0.331 7.149 488 HG3 ARG 72 2HG ARG 72 0.740 1.329 6.513 489 HD2 ARG 72 1HD ARG 72 -0.865 -0.365 6.902 490 HD3 ARG 72 2HD ARG 72 0.381 -1.578 7.192 491 HE ARG 72 HE ARG 72 -0.624 0.374 9.068 492 HH11 ARG 72 2HH1 ARG 72 1.953 -1.828 8.274 493 HH12 ARG 72 1HH1 ARG 72 2.513 -1.967 9.907 494 HH21 ARG 72 2HH2 ARG 72 0.104 0.199 11.223 495 HH22 ARG 72 1HH2 ARG 72 1.460 -0.815 11.584 496 H ILE 73 H ILE 73 3.369 -0.728 2.782 497 HA ILE 73 HA ILE 73 1.857 -2.720 1.403 498 HB ILE 73 HB ILE 73 4.108 -0.924 0.511 499 HG12 ILE 73 1HG1 ILE 73 1.303 -0.847 -0.525 500 HG13 ILE 73 2HG1 ILE 73 1.640 -0.164 1.062 501 HG21 ILE 73 1HG2 ILE 73 4.151 -3.015 -0.773 502 HG22 ILE 73 2HG2 ILE 73 2.452 -2.789 -1.184 503 HG23 ILE 73 3HG2 ILE 73 3.660 -1.644 -1.767 504 HD11 ILE 73 1HD1 ILE 73 2.867 0.656 -1.557 505 HD12 ILE 73 2HD1 ILE 73 1.726 1.575 -0.574 506 HD13 ILE 73 3HD1 ILE 73 3.360 1.276 0.018 507 H LYS 74 H LYS 74 5.186 -2.446 2.519 508 HA LYS 74 HA LYS 74 6.066 -4.852 1.236 509 HB2 LYS 74 1HB LYS 74 8.136 -4.517 2.386 510 HB3 LYS 74 2HB LYS 74 7.565 -2.939 1.859 511 HG2 LYS 74 1HG LYS 74 6.868 -2.367 4.058 512 HG3 LYS 74 2HG LYS 74 7.132 -4.014 4.634 513 HD2 LYS 74 1HD LYS 74 9.014 -2.870 5.391 514 HD3 LYS 74 2HD LYS 74 9.577 -3.643 3.907 515 HE2 LYS 74 1HE LYS 74 9.325 -1.590 2.682 516 HE3 LYS 74 2HE LYS 74 8.572 -0.805 4.069 517 HZ1 LYS 74 1HZ LYS 74 11.259 -1.929 4.390 518 HZ2 LYS 74 2HZ LYS 74 10.556 -0.588 5.143 519 HZ3 LYS 74 3HZ LYS 74 11.096 -0.474 3.544 520 H ALA 75 H ALA 75 4.800 -3.999 4.394 521 HA ALA 75 HA ALA 75 5.214 -6.724 5.371 522 HB1 ALA 75 1HB ALA 75 4.063 -4.358 6.841 523 HB2 ALA 75 2HB ALA 75 4.593 -5.890 7.537 524 HB3 ALA 75 3HB ALA 75 5.773 -4.790 6.823 525 H ALA 76 H ALA 76 3.133 -5.625 3.331 526 HA ALA 76 HA ALA 76 0.572 -5.940 4.447 527 HB1 ALA 76 1HB ALA 76 0.324 -4.973 2.429 528 HB2 ALA 76 2HB ALA 76 1.711 -5.815 1.735 529 HB3 ALA 76 3HB ALA 76 0.159 -6.640 1.876 530 H SER 77 H SER 77 -0.904 -7.747 3.298 531 HA SER 77 HA SER 77 0.279 -10.304 4.132 532 HB2 SER 77 1HB SER 77 -2.615 -9.447 3.910 533 HB3 SER 77 2HB SER 77 -2.088 -11.072 4.347 534 HG SER 77 HG SER 77 -0.780 -9.674 5.991 535 H TYR 78 H TYR 78 -1.021 -12.205 2.970 536 HA TYR 78 HA TYR 78 -0.049 -12.546 0.467 537 HB2 TYR 78 1HB TYR 78 -2.039 -14.119 0.098 538 HB3 TYR 78 2HB TYR 78 -1.016 -14.431 1.495 539 HD1 TYR 78 2HD TYR 78 -4.281 -13.119 0.400 540 HD2 TYR 78 1HD TYR 78 -1.870 -14.239 3.722 541 HE1 TYR 78 2HE TYR 78 -6.258 -13.025 1.860 542 HE2 TYR 78 1HE TYR 78 -3.840 -14.150 5.191 543 HH TYR 78 HH TYR 78 -6.981 -14.053 4.047 544 H GLN 79 H GLN 79 -2.717 -10.556 1.368 545 HA GLN 79 HA GLN 79 -3.033 -9.751 -1.430 546 HB2 GLN 79 1HB GLN 79 -5.462 -9.698 -1.230 547 HB3 GLN 79 2HB GLN 79 -4.856 -11.324 -0.947 548 HG2 GLN 79 1HG GLN 79 -5.164 -11.100 1.412 549 HG3 GLN 79 2HG GLN 79 -5.565 -9.392 1.245 550 HE21 GLN 79 1HE2 GLN 79 -7.637 -8.962 1.371 551 HE22 GLN 79 2HE2 GLN 79 -8.931 -10.014 0.923 552 H LEU 80 H LEU 80 -3.105 -7.603 -1.702 553 HA LEU 80 HA LEU 80 -3.007 -5.928 0.681 554 HB2 LEU 80 1HB LEU 80 -1.268 -5.533 -0.895 555 HB3 LEU 80 2HB LEU 80 -2.419 -5.410 -2.224 556 HG LEU 80 HG LEU 80 -3.263 -3.302 -1.271 557 HD11 LEU 80 1HD1 LEU 80 -2.087 -4.160 1.060 558 HD12 LEU 80 2HD1 LEU 80 -2.719 -2.543 0.753 559 HD13 LEU 80 3HD1 LEU 80 -1.005 -2.879 0.514 560 HD21 LEU 80 1HD2 LEU 80 -0.563 -3.749 -2.286 561 HD22 LEU 80 2HD2 LEU 80 -0.747 -2.229 -1.410 562 HD23 LEU 80 3HD2 LEU 80 -1.788 -2.585 -2.790 563 H CYS 81 H CYS 81 -4.537 -4.489 1.258 564 HA CYS 81 HA CYS 81 -6.886 -4.241 -0.504 565 HB2 CYS 81 1HB CYS 81 -7.158 -5.504 1.706 566 HB3 CYS 81 2HB CYS 81 -6.949 -3.945 2.495 567 HG CYS 81 HG CYS 81 -9.592 -5.150 0.799 568 H LEU 82 H LEU 82 -7.034 -2.291 -1.375 569 HA LEU 82 HA LEU 82 -6.345 0.044 0.276 570 HB2 LEU 82 1HB LEU 82 -5.778 -0.245 -2.670 571 HB3 LEU 82 2HB LEU 82 -5.404 1.152 -1.663 572 HG LEU 82 HG LEU 82 -4.198 -1.490 -0.978 573 HD11 LEU 82 1HD1 LEU 82 -2.243 -0.654 -2.466 574 HD12 LEU 82 2HD1 LEU 82 -3.510 0.216 -3.332 575 HD13 LEU 82 3HD1 LEU 82 -3.579 -1.542 -3.200 576 HD21 LEU 82 1HD2 LEU 82 -4.057 0.836 0.265 577 HD22 LEU 82 2HD2 LEU 82 -2.790 1.128 -0.927 578 HD23 LEU 82 3HD2 LEU 82 -2.668 -0.247 0.172 579 H LYS 83 H LYS 83 -7.924 1.493 0.426 580 HA LYS 83 HA LYS 83 -10.236 1.228 -1.352 581 HB2 LYS 83 1HB LYS 83 -10.716 1.135 1.031 582 HB3 LYS 83 2HB LYS 83 -9.905 2.675 1.282 583 HG2 LYS 83 1HG LYS 83 -11.699 3.482 -0.494 584 HG3 LYS 83 2HG LYS 83 -12.583 2.098 0.152 585 HD2 LYS 83 1HD LYS 83 -11.320 4.010 2.057 586 HD3 LYS 83 2HD LYS 83 -12.808 4.488 1.237 587 HE2 LYS 83 1HE LYS 83 -13.532 3.497 3.229 588 HE3 LYS 83 2HE LYS 83 -13.744 2.240 2.012 589 HZ1 LYS 83 1HZ LYS 83 -11.153 2.096 3.146 590 HZ2 LYS 83 2HZ LYS 83 -12.369 0.921 3.116 591 HZ3 LYS 83 3HZ LYS 83 -12.321 2.056 4.369 592 H ILE 84 H ILE 84 -10.700 2.697 -2.858 593 HA ILE 84 HA ILE 84 -9.215 5.243 -2.808 594 HB ILE 84 HB ILE 84 -9.676 5.246 -5.320 595 HG12 ILE 84 1HG1 ILE 84 -9.860 2.268 -5.064 596 HG13 ILE 84 2HG1 ILE 84 -11.325 3.235 -4.935 597 HG21 ILE 84 1HG2 ILE 84 -7.725 3.611 -3.819 598 HG22 ILE 84 2HG2 ILE 84 -7.825 3.326 -5.556 599 HG23 ILE 84 3HG2 ILE 84 -7.464 4.941 -4.948 600 HD11 ILE 84 1HD1 ILE 84 -9.634 2.651 -7.275 601 HD12 ILE 84 2HD1 ILE 84 -11.379 2.878 -7.156 602 HD13 ILE 84 3HD1 ILE 84 -10.307 4.278 -7.176 603 H ASP 85 H ASP 85 -10.294 7.124 -3.617 604 HA ASP 85 HA ASP 85 -13.039 7.258 -2.792 605 HB2 ASP 85 1HB ASP 85 -11.714 9.162 -2.284 606 HB3 ASP 85 2HB ASP 85 -11.118 9.280 -3.937 607 H ARG 86 H ARG 86 -11.341 6.953 -5.803 608 HA ARG 86 HA ARG 86 -12.048 6.621 -7.939 609 HB2 ARG 86 1HB ARG 86 -13.733 5.154 -6.522 610 HB3 ARG 86 2HB ARG 86 -14.892 6.358 -7.069 611 HG2 ARG 86 1HG ARG 86 -14.085 5.870 -9.418 612 HG3 ARG 86 2HG ARG 86 -13.248 4.476 -8.731 613 HD2 ARG 86 1HD ARG 86 -16.169 4.929 -8.232 614 HD3 ARG 86 2HD ARG 86 -15.612 4.148 -9.712 615 HE ARG 86 HE ARG 86 -14.372 2.787 -7.687 616 HH11 ARG 86 2HH1 ARG 86 -17.668 3.528 -8.528 617 HH12 ARG 86 1HH1 ARG 86 -18.311 2.084 -7.818 618 HH21 ARG 86 2HH2 ARG 86 -15.207 0.882 -6.749 619 HH22 ARG 86 1HH2 ARG 86 -16.910 0.580 -6.806 620 H ALA 87 H ALA 87 -11.762 9.230 -7.194 621 HA ALA 87 HA ALA 87 -14.114 10.642 -8.232 622 HB1 ALA 87 1HB ALA 87 -12.597 12.665 -7.500 623 HB2 ALA 87 2HB ALA 87 -13.534 11.751 -6.317 624 HB3 ALA 87 3HB ALA 87 -11.812 11.428 -6.518 625 H GLU 88 H GLU 88 -14.097 10.766 -10.390 626 HA GLU 88 HA GLU 88 -11.855 10.616 -12.045 627 HB2 GLU 88 1HB GLU 88 -13.350 11.546 -13.811 628 HB3 GLU 88 2HB GLU 88 -14.042 10.186 -12.939 629 HG2 GLU 88 1HG GLU 88 -15.332 11.769 -11.557 630 HG3 GLU 88 2HG GLU 88 -14.689 13.095 -12.524 631 H THR 89 H THR 89 -13.456 13.385 -10.586 632 HA THR 89 HA THR 89 -11.589 15.215 -11.904 633 HB THR 89 HB THR 89 -13.085 16.887 -10.448 634 HG1 THR 89 1HG THR 89 -15.307 15.891 -10.687 635 HG21 THR 89 1HG2 THR 89 -13.433 17.499 -12.566 636 HG22 THR 89 2HG2 THR 89 -14.765 16.344 -12.611 637 HG23 THR 89 3HG2 THR 89 -13.157 15.857 -13.146 638 H ARG 90 H ARG 90 -11.119 13.286 -9.529 639 HA ARG 90 HA ARG 90 -10.723 14.443 -7.129 640 HB2 ARG 90 1HB ARG 90 -8.670 13.051 -6.887 641 HB3 ARG 90 2HB ARG 90 -10.053 12.165 -7.514 642 HG2 ARG 90 1HG ARG 90 -9.165 12.175 -9.718 643 HG3 ARG 90 2HG ARG 90 -7.892 13.310 -9.262 644 HD2 ARG 90 1HD ARG 90 -6.661 11.708 -8.184 645 HD3 ARG 90 2HD ARG 90 -8.076 10.730 -7.794 646 HE ARG 90 HE ARG 90 -6.438 10.538 -10.135 647 HH11 ARG 90 2HH1 ARG 90 -9.639 10.025 -8.866 648 HH12 ARG 90 1HH1 ARG 90 -10.048 8.810 -10.031 649 HH21 ARG 90 2HH2 ARG 90 -6.964 8.939 -11.674 650 HH22 ARG 90 1HH2 ARG 90 -8.525 8.192 -11.627 651 H LEU 91 H LEU 91 -9.116 15.294 -10.071 652 HA LEU 91 HA LEU 91 -6.777 16.430 -9.485 653 HB2 LEU 91 1HB LEU 91 -8.304 16.630 -11.594 654 HB3 LEU 91 2HB LEU 91 -8.764 18.173 -10.878 655 HG LEU 91 HG LEU 91 -5.873 17.540 -11.304 656 HD11 LEU 91 1HD1 LEU 91 -7.335 18.967 -13.449 657 HD12 LEU 91 2HD1 LEU 91 -7.469 17.210 -13.402 658 HD13 LEU 91 3HD1 LEU 91 -5.883 17.969 -13.533 659 HD21 LEU 91 1HD2 LEU 91 -6.011 20.082 -11.796 660 HD22 LEU 91 2HD2 LEU 91 -6.116 19.517 -10.129 661 HD23 LEU 91 3HD2 LEU 91 -7.580 19.976 -10.998 662 H TRP 92 H TRP 92 -9.908 17.866 -8.650 663 HA TRP 92 HA TRP 92 -8.520 19.520 -6.656 664 HB2 TRP 92 1HB TRP 92 -9.391 20.689 -8.870 665 HB3 TRP 92 2HB TRP 92 -10.933 20.632 -8.019 666 HD1 TRP 92 HD TRP 92 -9.968 21.326 -5.095 667 HE1 TRP 92 1HE TRP 92 -9.122 23.695 -4.551 668 HE3 TRP 92 3HE TRP 92 -8.740 22.853 -9.817 669 HZ2 TRP 92 2HZ TRP 92 -8.073 25.918 -5.940 670 HZ3 TRP 92 3HZ TRP 92 -7.822 25.115 -10.123 671 HH2 TRP 92 HH TRP 92 -7.496 26.614 -8.224 672 H SER 93 H SER 93 -9.245 17.603 -5.371 673 HA SER 93 HA SER 93 -11.982 18.061 -4.390 674 HB2 SER 93 1HB SER 93 -10.626 15.377 -4.744 675 HB3 SER 93 2HB SER 93 -12.196 15.630 -3.982 676 HG SER 93 HG SER 93 -12.397 15.044 -6.185 677 HA PRO 94 HA PRO 94 -9.253 18.650 -0.805 678 HB2 PRO 94 1HB PRO 94 -11.030 20.193 0.549 679 HB3 PRO 94 2HB PRO 94 -9.968 20.831 -0.712 680 HG2 PRO 94 1HG PRO 94 -12.848 20.033 -0.885 681 HG3 PRO 94 2HG PRO 94 -12.038 21.454 -1.570 682 HD2 PRO 94 1HD PRO 94 -12.630 19.262 -3.046 683 HD3 PRO 94 2HD PRO 94 -11.204 20.270 -3.364 684 H GLN 95 H GLN 95 -12.458 17.370 -1.127 685 HA GLN 95 HA GLN 95 -12.408 16.298 1.598 686 HB2 GLN 95 1HB GLN 95 -14.730 15.805 1.324 687 HB3 GLN 95 2HB GLN 95 -14.466 17.437 0.725 688 HG2 GLN 95 1HG GLN 95 -14.651 16.757 -1.518 689 HG3 GLN 95 2HG GLN 95 -14.513 15.052 -1.092 690 HE21 GLN 95 1HE2 GLN 95 -16.456 14.752 -2.312 691 HE22 GLN 95 2HE2 GLN 95 -17.990 15.098 -1.598 692 H VAL 96 H VAL 96 -12.519 14.098 2.034 693 HA VAL 96 HA VAL 96 -11.870 12.342 -0.245 694 HB VAL 96 HB VAL 96 -10.703 10.890 1.420 695 HG11 VAL 96 1HG1 VAL 96 -9.114 12.026 0.279 696 HG12 VAL 96 2HG1 VAL 96 -9.839 13.599 0.618 697 HG13 VAL 96 3HG1 VAL 96 -8.864 12.793 1.848 698 HG21 VAL 96 1HG2 VAL 96 -12.019 12.297 3.308 699 HG22 VAL 96 2HG2 VAL 96 -10.550 11.374 3.619 700 HG23 VAL 96 3HG2 VAL 96 -10.456 13.112 3.339 701 H SER 97 H SER 97 -12.621 10.147 -0.131 702 HA SER 97 HA SER 97 -15.316 9.963 0.789 703 HB2 SER 97 1HB SER 97 -13.436 7.998 -0.516 704 HB3 SER 97 2HB SER 97 -15.064 7.543 -0.012 705 HG SER 97 HG SER 97 -15.813 9.305 -1.349 706 H SER 98 H SER 98 -14.986 10.325 3.069 707 HA SER 98 HA SER 98 -13.434 8.737 4.751 708 HB2 SER 98 1HB SER 98 -16.056 10.142 5.309 709 HB3 SER 98 2HB SER 98 -15.010 9.457 6.553 710 HG SER 98 HG SER 98 -14.316 11.491 6.450 711 H GLY 99 H GLY 99 -13.733 6.818 5.792 712 HA2 GLY 99 1HA GLY 99 -16.175 5.312 5.080 713 HA3 GLY 99 2HA GLY 99 -14.580 4.573 5.120 714 HA PRO 100 HA PRO 100 -16.349 3.479 9.159 715 HB2 PRO 100 1HB PRO 100 -14.831 1.248 9.450 716 HB3 PRO 100 2HB PRO 100 -16.324 1.277 8.504 717 HG2 PRO 100 1HG PRO 100 -13.485 1.452 7.569 718 HG3 PRO 100 2HG PRO 100 -14.833 0.524 6.886 719 HD2 PRO 100 1HD PRO 100 -14.014 2.885 5.844 720 HD3 PRO 100 2HD PRO 100 -15.708 2.358 5.797 721 H SER 101 H SER 101 -15.509 5.038 10.483 722 HA SER 101 HA SER 101 -12.640 5.099 10.998 723 HB2 SER 101 1HB SER 101 -13.024 7.180 12.112 724 HB3 SER 101 2HB SER 101 -14.008 7.202 10.649 725 HG SER 101 HG SER 101 -14.806 7.518 13.149 726 H SER 102 H SER 102 -11.742 4.058 12.640 727 HA SER 102 HA SER 102 -13.422 2.792 14.637 728 HB2 SER 102 1HB SER 102 -11.262 1.750 15.382 729 HB3 SER 102 2HB SER 102 -11.669 1.432 13.695 730 HG SER 102 HG SER 102 -9.487 2.608 14.692 731 H GLY 103 H GLY 103 -14.135 4.330 16.053 732 HA2 GLY 103 1HA GLY 103 -12.300 6.269 17.182 733 HA3 GLY 103 2HA GLY 103 -14.011 6.110 17.550 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -25.940 8.819 -13.389 2 HA2 GLY 1 1HA GLY 1 -25.128 6.756 -13.984 3 HA3 GLY 1 2HA GLY 1 -23.578 7.324 -13.381 4 H SER 2 H SER 2 -22.774 6.447 -11.567 5 HA SER 2 HA SER 2 -24.565 4.720 -9.986 6 HB2 SER 2 1HB SER 2 -22.648 3.217 -9.612 7 HB3 SER 2 2HB SER 2 -23.017 3.371 -11.330 8 HG SER 2 HG SER 2 -20.842 4.371 -9.873 9 H SER 3 H SER 3 -24.684 5.164 -7.887 10 HA SER 3 HA SER 3 -23.516 7.397 -6.721 11 HB2 SER 3 1HB SER 3 -24.786 4.931 -5.549 12 HB3 SER 3 2HB SER 3 -24.143 6.207 -4.515 13 HG SER 3 HG SER 3 -26.289 6.654 -4.888 14 H GLY 4 H GLY 4 -21.593 7.816 -5.832 15 HA2 GLY 4 1HA GLY 4 -19.620 5.664 -5.753 16 HA3 GLY 4 2HA GLY 4 -19.286 7.386 -5.641 17 H SER 5 H SER 5 -19.994 4.490 -3.909 18 HA SER 5 HA SER 5 -20.168 5.906 -1.360 19 HB2 SER 5 1HB SER 5 -20.571 3.017 -2.139 20 HB3 SER 5 2HB SER 5 -20.532 3.549 -0.458 21 HG SER 5 HG SER 5 -22.453 4.396 -0.681 22 H SER 6 H SER 6 -18.267 3.252 -2.792 23 HA SER 6 HA SER 6 -15.817 4.238 -1.732 24 HB2 SER 6 1HB SER 6 -15.337 2.413 -0.163 25 HB3 SER 6 2HB SER 6 -16.763 3.315 0.349 26 HG SER 6 HG SER 6 -17.962 1.609 -0.841 27 H GLY 7 H GLY 7 -14.161 3.482 -2.917 28 HA2 GLY 7 1HA GLY 7 -14.769 1.404 -4.888 29 HA3 GLY 7 2HA GLY 7 -13.425 2.534 -4.956 30 H ASN 8 H ASN 8 -14.571 -0.499 -3.704 31 HA ASN 8 HA ASN 8 -12.275 -1.060 -2.099 32 HB2 ASN 8 1HB ASN 8 -13.189 -3.308 -1.912 33 HB3 ASN 8 2HB ASN 8 -14.478 -2.125 -1.709 34 HD21 ASN 8 1HD2 ASN 8 -12.964 -4.280 -4.049 35 HD22 ASN 8 2HD2 ASN 8 -14.386 -4.548 -4.992 36 H VAL 9 H VAL 9 -10.429 -2.129 -2.598 37 HA VAL 9 HA VAL 9 -10.152 -3.345 -5.244 38 HB VAL 9 HB VAL 9 -8.284 -1.221 -4.184 39 HG11 VAL 9 1HG1 VAL 9 -6.864 -1.621 -6.019 40 HG12 VAL 9 2HG1 VAL 9 -7.222 -3.215 -5.352 41 HG13 VAL 9 3HG1 VAL 9 -8.047 -2.662 -6.811 42 HG21 VAL 9 1HG2 VAL 9 -9.572 -1.056 -6.850 43 HG22 VAL 9 2HG2 VAL 9 -10.581 -0.744 -5.437 44 HG23 VAL 9 3HG2 VAL 9 -9.136 0.227 -5.721 45 H VAL 10 H VAL 10 -9.662 -5.374 -4.688 46 HA VAL 10 HA VAL 10 -7.605 -5.796 -2.619 47 HB VAL 10 HB VAL 10 -9.509 -7.927 -3.545 48 HG11 VAL 10 1HG1 VAL 10 -7.491 -8.537 -2.239 49 HG12 VAL 10 2HG1 VAL 10 -8.081 -7.524 -0.920 50 HG13 VAL 10 3HG1 VAL 10 -9.001 -8.942 -1.424 51 HG21 VAL 10 1HG2 VAL 10 -11.230 -6.837 -2.654 52 HG22 VAL 10 2HG2 VAL 10 -10.435 -6.974 -1.086 53 HG23 VAL 10 3HG2 VAL 10 -10.181 -5.540 -2.080 54 H LEU 11 H LEU 11 -5.728 -5.891 -3.738 55 HA LEU 11 HA LEU 11 -5.561 -7.346 -6.240 56 HB2 LEU 11 1HB LEU 11 -3.194 -6.263 -4.774 57 HB3 LEU 11 2HB LEU 11 -3.457 -6.418 -6.510 58 HG LEU 11 HG LEU 11 -4.978 -4.449 -4.819 59 HD11 LEU 11 1HD1 LEU 11 -3.177 -3.178 -4.618 60 HD12 LEU 11 2HD1 LEU 11 -3.002 -3.152 -6.372 61 HD13 LEU 11 3HD1 LEU 11 -2.200 -4.405 -5.425 62 HD21 LEU 11 1HD2 LEU 11 -6.035 -4.807 -6.898 63 HD22 LEU 11 2HD2 LEU 11 -4.499 -4.816 -7.766 64 HD23 LEU 11 3HD2 LEU 11 -5.116 -3.313 -7.078 65 HA PRO 12 HA PRO 12 -4.382 -11.181 -4.400 66 HB2 PRO 12 1HB PRO 12 -3.320 -12.347 -6.610 67 HB3 PRO 12 2HB PRO 12 -5.060 -12.150 -6.370 68 HG2 PRO 12 1HG PRO 12 -3.171 -10.487 -7.991 69 HG3 PRO 12 2HG PRO 12 -4.803 -11.046 -8.400 70 HD2 PRO 12 1HD PRO 12 -4.301 -8.533 -7.527 71 HD3 PRO 12 2HD PRO 12 -5.818 -9.382 -7.170 72 H GLY 13 H GLY 13 -2.673 -11.560 -3.143 73 HA2 GLY 13 1HA GLY 13 -0.002 -10.801 -4.159 74 HA3 GLY 13 2HA GLY 13 -0.476 -10.613 -2.477 75 HA PRO 14 HA PRO 14 0.932 -10.894 -1.161 76 HB2 PRO 14 1HB PRO 14 3.523 -11.523 -0.650 77 HB3 PRO 14 2HB PRO 14 2.175 -12.153 0.305 78 HG2 PRO 14 1HG PRO 14 3.703 -13.463 -1.912 79 HG3 PRO 14 2HG PRO 14 3.164 -14.148 -0.367 80 HD2 PRO 14 1HD PRO 14 1.847 -14.584 -2.692 81 HD3 PRO 14 2HD PRO 14 1.016 -14.495 -1.126 82 H ALA 15 H ALA 15 2.949 -9.387 -1.344 83 HA ALA 15 HA ALA 15 3.023 -8.217 -3.818 84 HB1 ALA 15 1HB ALA 15 5.574 -7.782 -2.681 85 HB2 ALA 15 2HB ALA 15 4.161 -6.726 -2.636 86 HB3 ALA 15 3HB ALA 15 4.419 -7.910 -1.354 87 HA PRO 16 HA PRO 16 5.132 -6.869 -4.541 88 HB2 PRO 16 1HB PRO 16 5.480 -6.424 -7.196 89 HB3 PRO 16 2HB PRO 16 6.824 -6.718 -6.087 90 HG2 PRO 16 1HG PRO 16 5.462 -8.617 -7.958 91 HG3 PRO 16 2HG PRO 16 7.193 -8.417 -7.631 92 HD2 PRO 16 1HD PRO 16 5.723 -10.404 -6.528 93 HD3 PRO 16 2HD PRO 16 7.099 -9.657 -5.691 94 H TRP 17 H TRP 17 3.830 -5.278 -5.986 95 HA TRP 17 HA TRP 17 1.232 -6.529 -6.595 96 HB2 TRP 17 1HB TRP 17 1.714 -3.690 -5.669 97 HB3 TRP 17 2HB TRP 17 0.154 -4.478 -5.892 98 HD1 TRP 17 HD TRP 17 2.514 -3.628 -3.246 99 HE1 TRP 17 1HE TRP 17 2.055 -4.991 -1.112 100 HE3 TRP 17 3HE TRP 17 -0.584 -7.191 -5.208 101 HZ2 TRP 17 2HZ TRP 17 0.577 -7.275 -0.359 102 HZ3 TRP 17 3HZ TRP 17 -1.477 -8.930 -3.713 103 HH2 TRP 17 HH TRP 17 -0.907 -8.970 -1.340 104 H GLY 18 H GLY 18 3.283 -3.731 -7.424 105 HA2 GLY 18 1HA GLY 18 3.898 -3.330 -9.726 106 HA3 GLY 18 2HA GLY 18 2.355 -4.019 -10.207 107 H PHE 19 H PHE 19 2.704 -1.734 -7.575 108 HA PHE 19 HA PHE 19 1.712 0.442 -9.253 109 HB2 PHE 19 1HB PHE 19 -0.259 0.797 -8.105 110 HB3 PHE 19 2HB PHE 19 -0.166 -0.960 -8.047 111 HD1 PHE 19 1HD PHE 19 0.178 2.137 -6.124 112 HD2 PHE 19 2HD PHE 19 0.257 -2.116 -5.984 113 HE1 PHE 19 1HE PHE 19 0.058 2.219 -3.668 114 HE2 PHE 19 2HE PHE 19 0.135 -2.041 -3.528 115 HZ PHE 19 HZ PHE 19 0.035 0.128 -2.366 116 H ARG 20 H ARG 20 2.398 2.430 -8.628 117 HA ARG 20 HA ARG 20 4.205 2.513 -6.320 118 HB2 ARG 20 1HB ARG 20 3.931 4.495 -8.586 119 HB3 ARG 20 2HB ARG 20 5.180 4.486 -7.348 120 HG2 ARG 20 1HG ARG 20 4.763 2.314 -9.391 121 HG3 ARG 20 2HG ARG 20 5.959 3.607 -9.508 122 HD2 ARG 20 1HD ARG 20 5.908 1.912 -7.059 123 HD3 ARG 20 2HD ARG 20 6.594 1.243 -8.539 124 HE ARG 20 HE ARG 20 7.697 3.359 -6.903 125 HH11 ARG 20 2HH1 ARG 20 7.738 1.727 -9.978 126 HH12 ARG 20 1HH1 ARG 20 9.339 2.251 -10.382 127 HH21 ARG 20 2HH2 ARG 20 9.806 4.056 -7.424 128 HH22 ARG 20 1HH2 ARG 20 10.514 3.575 -8.928 129 H LEU 21 H LEU 21 4.325 4.869 -5.374 130 HA LEU 21 HA LEU 21 1.625 5.962 -5.037 131 HB2 LEU 21 1HB LEU 21 2.140 6.201 -2.578 132 HB3 LEU 21 2HB LEU 21 1.792 4.572 -3.152 133 HG LEU 21 HG LEU 21 4.244 4.126 -3.172 134 HD11 LEU 21 1HD1 LEU 21 5.233 6.002 -1.407 135 HD12 LEU 21 2HD1 LEU 21 4.302 6.961 -2.557 136 HD13 LEU 21 3HD1 LEU 21 5.588 5.899 -3.132 137 HD21 LEU 21 1HD2 LEU 21 3.173 5.009 -0.496 138 HD22 LEU 21 2HD2 LEU 21 4.427 3.805 -0.794 139 HD23 LEU 21 3HD2 LEU 21 2.763 3.488 -1.290 140 H SER 22 H SER 22 1.527 8.152 -4.598 141 HA SER 22 HA SER 22 4.052 9.614 -4.347 142 HB2 SER 22 1HB SER 22 3.844 9.868 -6.643 143 HB3 SER 22 2HB SER 22 2.081 9.838 -6.592 144 HG SER 22 HG SER 22 3.392 11.946 -6.884 145 H GLY 23 H GLY 23 3.938 11.305 -2.986 146 HA2 GLY 23 1HA GLY 23 2.506 13.265 -2.320 147 HA3 GLY 23 2HA GLY 23 1.250 12.071 -2.028 148 H GLY 24 H GLY 24 0.969 12.351 0.137 149 HA2 GLY 24 1HA GLY 24 1.845 11.106 2.149 150 HA3 GLY 24 2HA GLY 24 3.352 11.953 1.837 151 H ILE 25 H ILE 25 1.002 11.917 3.954 152 HA ILE 25 HA ILE 25 -0.167 14.399 4.148 153 HB ILE 25 HB ILE 25 -0.223 14.067 6.592 154 HG12 ILE 25 1HG1 ILE 25 1.453 11.608 6.050 155 HG13 ILE 25 2HG1 ILE 25 2.070 13.091 6.769 156 HG21 ILE 25 1HG2 ILE 25 -0.777 11.355 5.550 157 HG22 ILE 25 2HG2 ILE 25 -1.811 12.456 6.461 158 HG23 ILE 25 3HG2 ILE 25 -1.568 12.702 4.731 159 HD11 ILE 25 1HD1 ILE 25 1.560 11.309 8.406 160 HD12 ILE 25 2HD1 ILE 25 0.672 12.807 8.690 161 HD13 ILE 25 3HD1 ILE 25 -0.139 11.428 7.949 162 H ASP 26 H ASP 26 3.133 13.477 4.866 163 HA ASP 26 HA ASP 26 3.860 15.840 6.260 164 HB2 ASP 26 1HB ASP 26 5.098 13.608 6.235 165 HB3 ASP 26 2HB ASP 26 5.743 14.101 4.672 166 H PHE 27 H PHE 27 4.000 14.875 2.867 167 HA PHE 27 HA PHE 27 5.245 17.365 2.078 168 HB2 PHE 27 1HB PHE 27 4.170 15.053 0.451 169 HB3 PHE 27 2HB PHE 27 4.993 16.452 -0.232 170 HD1 PHE 27 1HD PHE 27 5.383 13.390 1.731 171 HD2 PHE 27 2HD PHE 27 7.373 16.734 0.007 172 HE1 PHE 27 1HE PHE 27 7.548 12.273 2.073 173 HE2 PHE 27 2HE PHE 27 9.542 15.622 0.346 174 HZ PHE 27 HZ PHE 27 9.631 13.389 1.380 175 H ASN 28 H ASN 28 2.417 17.048 3.274 176 HA ASN 28 HA ASN 28 0.331 17.934 3.001 177 HB2 ASN 28 1HB ASN 28 1.642 20.034 1.288 178 HB3 ASN 28 2HB ASN 28 0.294 20.215 2.407 179 HD21 ASN 28 1HD2 ASN 28 0.718 20.956 4.364 180 HD22 ASN 28 2HD2 ASN 28 2.284 21.058 5.087 181 H GLN 29 H GLN 29 0.869 15.893 1.175 182 HA GLN 29 HA GLN 29 -0.906 16.687 -1.002 183 HB2 GLN 29 1HB GLN 29 1.890 15.689 -1.313 184 HB3 GLN 29 2HB GLN 29 0.682 15.173 -2.482 185 HG2 GLN 29 1HG GLN 29 0.168 17.751 -2.584 186 HG3 GLN 29 2HG GLN 29 1.825 17.870 -1.995 187 HE21 GLN 29 1HE2 GLN 29 -0.223 16.950 -4.634 188 HE22 GLN 29 2HE2 GLN 29 1.027 16.770 -5.813 189 HA PRO 30 HA PRO 30 -2.790 12.828 -0.029 190 HB2 PRO 30 1HB PRO 30 -4.216 12.472 -2.311 191 HB3 PRO 30 2HB PRO 30 -4.662 13.654 -1.074 192 HG2 PRO 30 1HG PRO 30 -3.199 14.071 -3.652 193 HG3 PRO 30 2HG PRO 30 -4.485 15.051 -2.924 194 HD2 PRO 30 1HD PRO 30 -1.869 15.733 -2.770 195 HD3 PRO 30 2HD PRO 30 -3.032 16.114 -1.484 196 H LEU 31 H LEU 31 -2.339 10.700 -0.268 197 HA LEU 31 HA LEU 31 -0.187 9.940 -1.998 198 HB2 LEU 31 1HB LEU 31 -1.958 8.209 -0.280 199 HB3 LEU 31 2HB LEU 31 -0.418 7.739 -0.996 200 HG LEU 31 HG LEU 31 -0.521 10.037 0.914 201 HD11 LEU 31 1HD1 LEU 31 -0.306 8.609 2.799 202 HD12 LEU 31 2HD1 LEU 31 -0.253 7.168 1.785 203 HD13 LEU 31 3HD1 LEU 31 -1.747 8.094 1.923 204 HD21 LEU 31 1HD2 LEU 31 1.483 8.294 -0.325 205 HD22 LEU 31 2HD2 LEU 31 1.722 8.573 1.400 206 HD23 LEU 31 3HD2 LEU 31 1.630 9.941 0.289 207 H VAL 32 H VAL 32 -0.562 9.731 -4.113 208 HA VAL 32 HA VAL 32 -2.796 8.008 -4.945 209 HB VAL 32 HB VAL 32 -3.151 9.415 -6.932 210 HG11 VAL 32 1HG1 VAL 32 -3.708 11.559 -5.240 211 HG12 VAL 32 2HG1 VAL 32 -4.783 10.221 -5.653 212 HG13 VAL 32 3HG1 VAL 32 -3.774 10.130 -4.208 213 HG21 VAL 32 1HG2 VAL 32 -0.817 10.811 -5.836 214 HG22 VAL 32 2HG2 VAL 32 -1.401 10.706 -7.497 215 HG23 VAL 32 3HG2 VAL 32 -2.117 11.871 -6.383 216 H ILE 33 H ILE 33 -2.323 6.530 -6.488 217 HA ILE 33 HA ILE 33 0.146 5.545 -6.937 218 HB ILE 33 HB ILE 33 -2.066 5.620 -8.993 219 HG12 ILE 33 1HG1 ILE 33 -1.408 3.379 -7.089 220 HG13 ILE 33 2HG1 ILE 33 -2.537 4.660 -6.660 221 HG21 ILE 33 1HG2 ILE 33 -1.007 3.871 -10.129 222 HG22 ILE 33 2HG2 ILE 33 0.295 5.000 -9.757 223 HG23 ILE 33 3HG2 ILE 33 0.088 3.543 -8.786 224 HD11 ILE 33 1HD1 ILE 33 -2.813 2.820 -9.024 225 HD12 ILE 33 2HD1 ILE 33 -3.666 2.657 -7.489 226 HD13 ILE 33 3HD1 ILE 33 -3.963 4.058 -8.519 227 H THR 34 H THR 34 1.829 5.806 -8.370 228 HA THR 34 HA THR 34 1.749 8.233 -10.042 229 HB THR 34 HB THR 34 3.222 8.868 -8.357 230 HG1 THR 34 1HG THR 34 5.128 7.602 -10.006 231 HG21 THR 34 1HG2 THR 34 4.667 7.494 -7.148 232 HG22 THR 34 2HG2 THR 34 4.729 6.275 -8.421 233 HG23 THR 34 3HG2 THR 34 3.275 6.451 -7.438 234 H ARG 35 H ARG 35 2.284 4.888 -9.888 235 HA ARG 35 HA ARG 35 2.861 4.766 -12.700 236 HB2 ARG 35 1HB ARG 35 5.085 5.015 -11.198 237 HB3 ARG 35 2HB ARG 35 4.878 3.270 -11.126 238 HG2 ARG 35 1HG ARG 35 6.178 3.410 -12.979 239 HG3 ARG 35 2HG ARG 35 4.593 3.562 -13.740 240 HD2 ARG 35 1HD ARG 35 4.895 6.082 -13.448 241 HD3 ARG 35 2HD ARG 35 6.587 5.719 -13.112 242 HE ARG 35 HE ARG 35 6.907 5.356 -15.344 243 HH11 ARG 35 2HH1 ARG 35 3.496 5.222 -14.658 244 HH12 ARG 35 1HH1 ARG 35 3.033 5.116 -16.324 245 HH21 ARG 35 2HH2 ARG 35 6.309 5.216 -17.540 246 HH22 ARG 35 1HH2 ARG 35 4.634 5.111 -17.963 247 H ILE 36 H ILE 36 2.299 2.814 -13.592 248 HA ILE 36 HA ILE 36 1.579 0.632 -11.765 249 HB ILE 36 HB ILE 36 -0.206 1.787 -13.906 250 HG12 ILE 36 1HG1 ILE 36 -0.119 2.767 -11.527 251 HG13 ILE 36 2HG1 ILE 36 -1.698 2.335 -12.174 252 HG21 ILE 36 1HG2 ILE 36 -1.742 -0.118 -12.928 253 HG22 ILE 36 2HG2 ILE 36 -0.617 -0.435 -14.248 254 HG23 ILE 36 3HG2 ILE 36 -0.187 -0.882 -12.597 255 HD11 ILE 36 1HD1 ILE 36 -0.160 0.400 -10.496 256 HD12 ILE 36 2HD1 ILE 36 -1.118 1.685 -9.758 257 HD13 ILE 36 3HD1 ILE 36 -1.896 0.489 -10.795 258 H THR 37 H THR 37 2.046 -1.369 -12.499 259 HA THR 37 HA THR 37 3.700 -1.631 -14.807 260 HB THR 37 HB THR 37 2.469 -3.978 -13.395 261 HG1 THR 37 1HG THR 37 4.177 -3.753 -11.844 262 HG21 THR 37 1HG2 THR 37 3.837 -4.749 -15.093 263 HG22 THR 37 2HG2 THR 37 4.959 -4.703 -13.732 264 HG23 THR 37 3HG2 THR 37 4.971 -3.408 -14.929 265 HA PRO 38 HA PRO 38 0.372 -2.196 -17.714 266 HB2 PRO 38 1HB PRO 38 1.959 -2.673 -19.865 267 HB3 PRO 38 2HB PRO 38 1.692 -1.053 -19.208 268 HG2 PRO 38 1HG PRO 38 4.002 -2.911 -18.789 269 HG3 PRO 38 2HG PRO 38 4.012 -1.162 -19.088 270 HD2 PRO 38 1HD PRO 38 4.320 -2.220 -16.614 271 HD3 PRO 38 2HD PRO 38 3.523 -0.658 -16.892 272 H GLY 39 H GLY 39 -0.387 -4.172 -16.762 273 HA2 GLY 39 1HA GLY 39 -1.089 -6.330 -17.530 274 HA3 GLY 39 2HA GLY 39 0.483 -6.532 -18.289 275 H SER 40 H SER 40 -0.683 -5.788 -14.999 276 HA SER 40 HA SER 40 0.617 -8.189 -13.997 277 HB2 SER 40 1HB SER 40 2.209 -7.189 -12.678 278 HB3 SER 40 2HB SER 40 2.167 -6.015 -13.994 279 HG SER 40 HG SER 40 0.533 -4.905 -12.666 280 H LYS 41 H LYS 41 0.416 -7.932 -11.367 281 HA LYS 41 HA LYS 41 -2.289 -8.287 -10.809 282 HB2 LYS 41 1HB LYS 41 -0.172 -7.472 -8.815 283 HB3 LYS 41 2HB LYS 41 -1.665 -8.337 -8.478 284 HG2 LYS 41 1HG LYS 41 0.251 -9.551 -10.394 285 HG3 LYS 41 2HG LYS 41 0.650 -9.580 -8.675 286 HD2 LYS 41 1HD LYS 41 -1.219 -10.869 -8.140 287 HD3 LYS 41 2HD LYS 41 -2.047 -10.462 -9.645 288 HE2 LYS 41 1HE LYS 41 0.534 -11.972 -9.710 289 HE3 LYS 41 2HE LYS 41 -0.971 -12.815 -9.348 290 HZ1 LYS 41 1HZ LYS 41 -1.114 -12.993 -11.560 291 HZ2 LYS 41 2HZ LYS 41 -0.021 -11.736 -11.852 292 HZ3 LYS 41 3HZ LYS 41 -1.642 -11.386 -11.519 293 H ALA 42 H ALA 42 -0.375 -5.399 -10.906 294 HA ALA 42 HA ALA 42 -2.167 -3.770 -9.380 295 HB1 ALA 42 1HB ALA 42 0.376 -3.448 -10.713 296 HB2 ALA 42 2HB ALA 42 -0.689 -2.074 -11.014 297 HB3 ALA 42 3HB ALA 42 -0.309 -2.548 -9.358 298 H ALA 43 H ALA 43 -1.248 -3.342 -12.793 299 HA ALA 43 HA ALA 43 -3.493 -1.857 -13.507 300 HB1 ALA 43 1HB ALA 43 -2.757 -2.007 -15.704 301 HB2 ALA 43 2HB ALA 43 -1.276 -2.233 -14.772 302 HB3 ALA 43 3HB ALA 43 -2.096 -3.626 -15.477 303 H ALA 44 H ALA 44 -2.897 -5.344 -13.813 304 HA ALA 44 HA ALA 44 -5.211 -6.076 -15.156 305 HB1 ALA 44 1HB ALA 44 -4.819 -8.290 -14.410 306 HB2 ALA 44 2HB ALA 44 -3.235 -7.535 -14.596 307 HB3 ALA 44 3HB ALA 44 -3.936 -7.730 -12.990 308 H ALA 45 H ALA 45 -4.906 -4.765 -12.045 309 HA ALA 45 HA ALA 45 -7.502 -5.830 -11.183 310 HB1 ALA 45 1HB ALA 45 -5.121 -4.798 -9.774 311 HB2 ALA 45 2HB ALA 45 -6.686 -4.416 -9.055 312 HB3 ALA 45 3HB ALA 45 -6.230 -6.097 -9.334 313 H ASN 46 H ASN 46 -6.866 -3.608 -13.199 314 HA ASN 46 HA ASN 46 -7.891 -1.695 -13.886 315 HB2 ASN 46 1HB ASN 46 -9.670 -1.918 -11.455 316 HB3 ASN 46 2HB ASN 46 -10.015 -1.089 -12.970 317 HD21 ASN 46 1HD2 ASN 46 -11.829 -2.826 -12.037 318 HD22 ASN 46 2HD2 ASN 46 -11.848 -4.267 -12.991 319 H LEU 47 H LEU 47 -5.560 -1.421 -12.480 320 HA LEU 47 HA LEU 47 -6.034 0.885 -10.714 321 HB2 LEU 47 1HB LEU 47 -3.558 -0.813 -10.972 322 HB3 LEU 47 2HB LEU 47 -3.815 0.490 -9.814 323 HG LEU 47 HG LEU 47 -5.429 -2.056 -9.870 324 HD11 LEU 47 1HD1 LEU 47 -3.893 -3.102 -8.640 325 HD12 LEU 47 2HD1 LEU 47 -3.596 -1.678 -7.643 326 HD13 LEU 47 3HD1 LEU 47 -2.770 -1.858 -9.191 327 HD21 LEU 47 1HD2 LEU 47 -6.543 -1.277 -8.065 328 HD22 LEU 47 2HD2 LEU 47 -6.118 0.288 -8.758 329 HD23 LEU 47 3HD2 LEU 47 -5.149 -0.390 -7.448 330 H CYS 48 H CYS 48 -4.988 2.821 -11.072 331 HA CYS 48 HA CYS 48 -3.166 3.064 -13.328 332 HB2 CYS 48 1HB CYS 48 -5.945 4.128 -13.285 333 HB3 CYS 48 2HB CYS 48 -4.694 5.166 -13.958 334 HG CYS 48 HG CYS 48 -4.180 2.291 -15.307 335 HA PRO 49 HA PRO 49 -1.264 6.071 -10.757 336 HB2 PRO 49 1HB PRO 49 -0.056 7.630 -12.623 337 HB3 PRO 49 2HB PRO 49 0.510 6.006 -12.216 338 HG2 PRO 49 1HG PRO 49 -1.181 6.901 -14.518 339 HG3 PRO 49 2HG PRO 49 0.174 5.756 -14.503 340 HD2 PRO 49 1HD PRO 49 -2.412 4.953 -14.529 341 HD3 PRO 49 2HD PRO 49 -1.133 4.027 -13.719 342 H GLY 50 H GLY 50 -2.964 7.205 -9.817 343 HA2 GLY 50 1HA GLY 50 -3.217 9.874 -10.118 344 HA3 GLY 50 2HA GLY 50 -4.358 9.260 -11.305 345 H ASP 51 H ASP 51 -4.790 6.885 -9.438 346 HA ASP 51 HA ASP 51 -7.104 7.907 -8.159 347 HB2 ASP 51 1HB ASP 51 -5.659 5.265 -7.957 348 HB3 ASP 51 2HB ASP 51 -7.138 5.609 -7.064 349 H VAL 52 H VAL 52 -7.573 8.011 -5.910 350 HA VAL 52 HA VAL 52 -5.234 8.769 -4.312 351 HB VAL 52 HB VAL 52 -8.165 9.310 -3.808 352 HG11 VAL 52 1HG1 VAL 52 -5.767 10.487 -2.414 353 HG12 VAL 52 2HG1 VAL 52 -7.469 10.729 -2.015 354 HG13 VAL 52 3HG1 VAL 52 -6.721 9.150 -1.774 355 HG21 VAL 52 1HG2 VAL 52 -7.928 11.371 -4.767 356 HG22 VAL 52 2HG2 VAL 52 -6.195 11.446 -4.445 357 HG23 VAL 52 3HG2 VAL 52 -6.804 10.449 -5.766 358 H ILE 53 H ILE 53 -4.801 7.888 -2.317 359 HA ILE 53 HA ILE 53 -6.165 5.354 -1.746 360 HB ILE 53 HB ILE 53 -3.539 6.352 -0.640 361 HG12 ILE 53 1HG1 ILE 53 -3.773 5.847 -3.196 362 HG13 ILE 53 2HG1 ILE 53 -2.403 5.196 -2.303 363 HG21 ILE 53 1HG2 ILE 53 -3.908 4.722 0.844 364 HG22 ILE 53 2HG2 ILE 53 -5.225 4.034 -0.105 365 HG23 ILE 53 3HG2 ILE 53 -3.554 3.617 -0.484 366 HD11 ILE 53 1HD1 ILE 53 -4.698 3.418 -2.287 367 HD12 ILE 53 2HD1 ILE 53 -4.110 3.777 -3.911 368 HD13 ILE 53 3HD1 ILE 53 -3.015 3.100 -2.707 369 H LEU 54 H LEU 54 -7.701 5.430 -0.254 370 HA LEU 54 HA LEU 54 -7.738 7.538 1.736 371 HB2 LEU 54 1HB LEU 54 -9.648 5.303 1.089 372 HB3 LEU 54 2HB LEU 54 -9.902 6.449 2.403 373 HG LEU 54 HG LEU 54 -9.619 7.298 -0.472 374 HD11 LEU 54 1HD1 LEU 54 -11.656 5.721 0.427 375 HD12 LEU 54 2HD1 LEU 54 -11.768 6.864 -0.911 376 HD13 LEU 54 3HD1 LEU 54 -12.296 7.341 0.703 377 HD21 LEU 54 1HD2 LEU 54 -9.259 8.922 1.448 378 HD22 LEU 54 2HD2 LEU 54 -10.973 8.714 1.809 379 HD23 LEU 54 3HD2 LEU 54 -10.472 9.370 0.249 380 H ALA 55 H ALA 55 -7.485 4.007 1.639 381 HA ALA 55 HA ALA 55 -6.160 4.068 4.235 382 HB1 ALA 55 1HB ALA 55 -7.789 1.848 4.490 383 HB2 ALA 55 2HB ALA 55 -7.980 3.389 5.327 384 HB3 ALA 55 3HB ALA 55 -8.858 3.085 3.828 385 H ILE 56 H ILE 56 -4.597 2.542 4.450 386 HA ILE 56 HA ILE 56 -4.152 0.800 2.132 387 HB ILE 56 HB ILE 56 -2.260 1.744 4.285 388 HG12 ILE 56 1HG1 ILE 56 -2.195 2.228 1.303 389 HG13 ILE 56 2HG1 ILE 56 -2.927 3.344 2.451 390 HG21 ILE 56 1HG2 ILE 56 -0.546 0.613 2.732 391 HG22 ILE 56 2HG2 ILE 56 -1.483 -0.400 3.828 392 HG23 ILE 56 3HG2 ILE 56 -1.925 -0.302 2.124 393 HD11 ILE 56 1HD1 ILE 56 -0.947 4.306 2.646 394 HD12 ILE 56 2HD1 ILE 56 -0.372 2.841 3.442 395 HD13 ILE 56 3HD1 ILE 56 -0.176 3.033 1.700 396 H ASP 57 H ASP 57 -4.385 -1.331 2.286 397 HA ASP 57 HA ASP 57 -4.992 -3.348 3.179 398 HB2 ASP 57 1HB ASP 57 -2.512 -3.202 3.581 399 HB3 ASP 57 2HB ASP 57 -2.871 -2.668 5.221 400 H GLY 58 H GLY 58 -6.624 -1.209 4.082 401 HA2 GLY 58 1HA GLY 58 -8.411 -1.082 5.552 402 HA3 GLY 58 2HA GLY 58 -7.753 -2.462 6.419 403 H PHE 59 H PHE 59 -6.128 0.596 5.714 404 HA PHE 59 HA PHE 59 -6.398 1.444 8.485 405 HB2 PHE 59 1HB PHE 59 -3.691 0.998 7.209 406 HB3 PHE 59 2HB PHE 59 -3.977 1.704 8.796 407 HD1 PHE 59 2HD PHE 59 -5.480 0.173 10.379 408 HD2 PHE 59 1HD PHE 59 -3.120 -1.216 7.120 409 HE1 PHE 59 2HE PHE 59 -5.412 -2.069 11.389 410 HE2 PHE 59 1HE PHE 59 -3.049 -3.461 8.124 411 HZ PHE 59 HZ PHE 59 -4.194 -3.890 10.262 412 H GLY 60 H GLY 60 -7.235 3.411 8.158 413 HA2 GLY 60 1HA GLY 60 -7.018 5.036 5.952 414 HA3 GLY 60 2HA GLY 60 -7.305 5.636 7.578 415 H THR 61 H THR 61 -5.655 6.580 5.200 416 HA THR 61 HA THR 61 -2.987 6.636 6.396 417 HB THR 61 HB THR 61 -2.164 7.453 4.327 418 HG1 THR 61 1HG THR 61 -3.602 8.141 2.665 419 HG21 THR 61 1HG2 THR 61 -4.160 5.771 3.021 420 HG22 THR 61 2HG2 THR 61 -3.508 5.055 4.495 421 HG23 THR 61 3HG2 THR 61 -2.421 5.536 3.193 422 H GLU 62 H GLU 62 -4.980 8.036 7.799 423 HA GLU 62 HA GLU 62 -4.869 10.826 7.129 424 HB2 GLU 62 1HB GLU 62 -6.069 11.163 9.241 425 HB3 GLU 62 2HB GLU 62 -6.819 9.904 8.271 426 HG2 GLU 62 1HG GLU 62 -6.008 8.197 9.667 427 HG3 GLU 62 2HG GLU 62 -4.874 9.283 10.468 428 H SER 63 H SER 63 -2.982 8.641 9.025 429 HA SER 63 HA SER 63 -1.265 10.883 9.843 430 HB2 SER 63 1HB SER 63 -2.707 9.967 11.742 431 HB3 SER 63 2HB SER 63 -1.755 8.488 11.615 432 HG SER 63 HG SER 63 -0.047 9.494 12.413 433 H MET 64 H MET 64 -1.273 8.716 7.709 434 HA MET 64 HA MET 64 1.240 7.366 8.410 435 HB2 MET 64 1HB MET 64 -0.143 5.682 7.679 436 HB3 MET 64 2HB MET 64 -1.011 6.730 6.565 437 HG2 MET 64 1HG MET 64 0.505 6.441 4.886 438 HG3 MET 64 2HG MET 64 1.838 6.127 5.994 439 HE1 MET 64 1HE MET 64 -1.584 4.350 4.574 440 HE2 MET 64 2HE MET 64 -1.497 3.007 5.714 441 HE3 MET 64 3HE MET 64 -1.616 4.663 6.309 442 H THR 65 H THR 65 3.002 8.414 7.777 443 HA THR 65 HA THR 65 2.967 10.355 5.668 444 HB THR 65 HB THR 65 5.349 10.637 6.115 445 HG1 THR 65 1HG THR 65 6.473 9.217 7.318 446 HG21 THR 65 1HG2 THR 65 5.214 11.181 8.549 447 HG22 THR 65 2HG2 THR 65 3.647 10.372 8.594 448 HG23 THR 65 3HG2 THR 65 3.869 11.812 7.600 449 H HIS 66 H HIS 66 4.686 10.285 3.930 450 HA HIS 66 HA HIS 66 4.214 8.296 2.109 451 HB2 HIS 66 1HB HIS 66 5.566 10.569 1.960 452 HB3 HIS 66 2HB HIS 66 6.948 9.495 2.150 453 HD1 HIS 66 1HD HIS 66 3.851 9.644 -0.066 454 HD2 HIS 66 2HD HIS 66 7.873 8.617 -0.225 455 HE1 HIS 66 1HE HIS 66 4.287 9.003 -2.458 456 HE2 HIS 66 2HE HIS 66 6.706 8.304 -2.512 457 H ALA 67 H ALA 67 7.076 8.509 4.227 458 HA ALA 67 HA ALA 67 8.306 6.141 3.505 459 HB1 ALA 67 1HB ALA 67 8.667 8.090 5.477 460 HB2 ALA 67 2HB ALA 67 8.570 6.554 6.338 461 HB3 ALA 67 3HB ALA 67 9.762 6.773 5.057 462 H ASP 68 H ASP 68 5.849 6.666 6.017 463 HA ASP 68 HA ASP 68 5.736 4.113 7.080 464 HB2 ASP 68 1HB ASP 68 3.807 6.366 6.841 465 HB3 ASP 68 2HB ASP 68 3.158 4.793 7.294 466 H ALA 69 H ALA 69 3.903 5.424 4.328 467 HA ALA 69 HA ALA 69 2.283 3.338 3.680 468 HB1 ALA 69 1HB ALA 69 3.832 5.168 1.863 469 HB2 ALA 69 2HB ALA 69 2.622 4.028 1.273 470 HB3 ALA 69 3HB ALA 69 2.154 5.313 2.387 471 H GLN 70 H GLN 70 5.670 3.696 2.632 472 HA GLN 70 HA GLN 70 5.884 1.341 1.176 473 HB2 GLN 70 1HB GLN 70 8.057 2.607 2.852 474 HB3 GLN 70 2HB GLN 70 8.286 1.529 1.482 475 HG2 GLN 70 1HG GLN 70 7.174 4.322 1.434 476 HG3 GLN 70 2HG GLN 70 8.715 3.770 0.780 477 HE21 GLN 70 1HE2 GLN 70 6.783 5.161 -0.695 478 HE22 GLN 70 2HE2 GLN 70 6.189 4.116 -1.936 479 H ASP 71 H ASP 71 6.318 1.900 4.639 480 HA ASP 71 HA ASP 71 7.163 -0.751 5.236 481 HB2 ASP 71 1HB ASP 71 6.330 1.637 6.803 482 HB3 ASP 71 2HB ASP 71 6.251 0.074 7.611 483 H ARG 72 H ARG 72 4.174 0.534 4.380 484 HA ARG 72 HA ARG 72 2.654 -1.511 5.818 485 HB2 ARG 72 1HB ARG 72 1.941 1.022 4.399 486 HB3 ARG 72 2HB ARG 72 0.718 -0.229 4.576 487 HG2 ARG 72 1HG ARG 72 2.248 0.658 6.974 488 HG3 ARG 72 2HG ARG 72 0.948 1.673 6.347 489 HD2 ARG 72 1HD ARG 72 -0.665 -0.012 6.683 490 HD3 ARG 72 2HD ARG 72 0.566 -1.253 6.911 491 HE ARG 72 HE ARG 72 -0.444 0.573 8.889 492 HH11 ARG 72 2HH1 ARG 72 2.226 -1.458 7.959 493 HH12 ARG 72 1HH1 ARG 72 2.816 -1.646 9.577 494 HH21 ARG 72 2HH2 ARG 72 0.323 0.333 11.024 495 HH22 ARG 72 1HH2 ARG 72 1.732 -0.628 11.319 496 H ILE 73 H ILE 73 3.521 -0.489 2.565 497 HA ILE 73 HA ILE 73 1.882 -2.426 1.244 498 HB ILE 73 HB ILE 73 4.218 -0.803 0.231 499 HG12 ILE 73 1HG1 ILE 73 1.375 -0.392 -0.591 500 HG13 ILE 73 2HG1 ILE 73 1.889 0.209 0.982 501 HG21 ILE 73 1HG2 ILE 73 2.208 -2.311 -1.425 502 HG22 ILE 73 2HG2 ILE 73 3.666 -1.485 -1.974 503 HG23 ILE 73 3HG2 ILE 73 3.796 -2.953 -1.005 504 HD11 ILE 73 1HD1 ILE 73 2.115 1.509 -1.443 505 HD12 ILE 73 2HD1 ILE 73 2.908 1.952 0.069 506 HD13 ILE 73 3HD1 ILE 73 3.749 0.941 -1.105 507 H LYS 74 H LYS 74 5.186 -2.318 2.401 508 HA LYS 74 HA LYS 74 6.013 -4.713 1.060 509 HB2 LYS 74 1HB LYS 74 8.063 -4.487 2.249 510 HB3 LYS 74 2HB LYS 74 7.550 -2.862 1.814 511 HG2 LYS 74 1HG LYS 74 6.881 -2.374 4.021 512 HG3 LYS 74 2HG LYS 74 6.979 -4.069 4.504 513 HD2 LYS 74 1HD LYS 74 8.903 -2.993 5.387 514 HD3 LYS 74 2HD LYS 74 9.447 -3.950 4.008 515 HE2 LYS 74 1HE LYS 74 9.446 -1.955 2.609 516 HE3 LYS 74 2HE LYS 74 8.853 -0.992 3.962 517 HZ1 LYS 74 1HZ LYS 74 11.526 -2.003 3.436 518 HZ2 LYS 74 2HZ LYS 74 11.022 -2.064 5.049 519 HZ3 LYS 74 3HZ LYS 74 11.039 -0.587 4.224 520 H ALA 75 H ALA 75 4.691 -3.913 4.210 521 HA ALA 75 HA ALA 75 4.990 -6.668 5.128 522 HB1 ALA 75 1HB ALA 75 4.195 -5.851 7.274 523 HB2 ALA 75 2HB ALA 75 5.519 -4.847 6.682 524 HB3 ALA 75 3HB ALA 75 3.856 -4.272 6.566 525 H ALA 76 H ALA 76 3.096 -5.688 2.954 526 HA ALA 76 HA ALA 76 0.447 -5.769 3.806 527 HB1 ALA 76 1HB ALA 76 0.978 -5.080 1.576 528 HB2 ALA 76 2HB ALA 76 1.664 -6.660 1.197 529 HB3 ALA 76 3HB ALA 76 -0.069 -6.497 1.480 530 H SER 77 H SER 77 -0.963 -7.723 2.702 531 HA SER 77 HA SER 77 0.062 -10.204 3.919 532 HB2 SER 77 1HB SER 77 -2.650 -8.926 4.111 533 HB3 SER 77 2HB SER 77 -2.478 -10.673 4.283 534 HG SER 77 HG SER 77 -2.088 -10.137 6.290 535 H TYR 78 H TYR 78 -1.413 -12.124 3.134 536 HA TYR 78 HA TYR 78 -0.826 -12.807 0.604 537 HB2 TYR 78 1HB TYR 78 -1.806 -14.532 1.784 538 HB3 TYR 78 2HB TYR 78 -3.136 -13.530 2.356 539 HD1 TYR 78 2HD TYR 78 -1.839 -15.422 -0.537 540 HD2 TYR 78 1HD TYR 78 -5.171 -13.367 1.128 541 HE1 TYR 78 2HE TYR 78 -3.281 -16.340 -2.305 542 HE2 TYR 78 1HE TYR 78 -6.623 -14.280 -0.635 543 HH TYR 78 HH TYR 78 -5.378 -15.868 -3.401 544 H GLN 79 H GLN 79 -3.347 -10.609 1.573 545 HA GLN 79 HA GLN 79 -3.844 -10.006 -1.255 546 HB2 GLN 79 1HB GLN 79 -6.241 -9.773 -0.832 547 HB3 GLN 79 2HB GLN 79 -5.698 -11.409 -0.485 548 HG2 GLN 79 1HG GLN 79 -5.635 -10.854 1.911 549 HG3 GLN 79 2HG GLN 79 -6.255 -9.248 1.533 550 HE21 GLN 79 1HE2 GLN 79 -8.389 -8.965 1.274 551 HE22 GLN 79 2HE2 GLN 79 -9.564 -10.230 1.344 552 H LEU 80 H LEU 80 -3.642 -7.911 -1.690 553 HA LEU 80 HA LEU 80 -3.334 -6.038 0.513 554 HB2 LEU 80 1HB LEU 80 -1.710 -6.090 -1.342 555 HB3 LEU 80 2HB LEU 80 -2.993 -5.620 -2.454 556 HG LEU 80 HG LEU 80 -3.207 -3.473 -1.282 557 HD11 LEU 80 1HD1 LEU 80 -1.403 -2.846 0.327 558 HD12 LEU 80 2HD1 LEU 80 -0.939 -4.546 0.383 559 HD13 LEU 80 3HD1 LEU 80 -2.540 -4.051 0.934 560 HD21 LEU 80 1HD2 LEU 80 -0.467 -3.090 -1.723 561 HD22 LEU 80 2HD2 LEU 80 -1.789 -2.812 -2.857 562 HD23 LEU 80 3HD2 LEU 80 -0.961 -4.371 -2.830 563 H CYS 81 H CYS 81 -4.949 -4.824 1.221 564 HA CYS 81 HA CYS 81 -7.257 -4.375 -0.545 565 HB2 CYS 81 1HB CYS 81 -6.964 -4.647 2.421 566 HB3 CYS 81 2HB CYS 81 -8.300 -3.700 1.777 567 HG CYS 81 HG CYS 81 -7.701 -7.020 1.213 568 H LEU 82 H LEU 82 -7.209 -2.460 -1.511 569 HA LEU 82 HA LEU 82 -6.347 -0.124 0.064 570 HB2 LEU 82 1HB LEU 82 -5.927 -0.664 -2.870 571 HB3 LEU 82 2HB LEU 82 -5.602 0.881 -2.085 572 HG LEU 82 HG LEU 82 -4.219 -1.695 -1.350 573 HD11 LEU 82 1HD1 LEU 82 -3.511 0.423 -3.351 574 HD12 LEU 82 2HD1 LEU 82 -3.518 -1.330 -3.546 575 HD13 LEU 82 3HD1 LEU 82 -2.274 -0.557 -2.564 576 HD21 LEU 82 1HD2 LEU 82 -2.931 -0.474 0.079 577 HD22 LEU 82 2HD2 LEU 82 -4.427 0.455 0.182 578 HD23 LEU 82 3HD2 LEU 82 -3.110 1.014 -0.850 579 H LYS 83 H LYS 83 -7.957 1.235 0.431 580 HA LYS 83 HA LYS 83 -10.347 1.140 -1.232 581 HB2 LYS 83 1HB LYS 83 -10.616 1.100 1.202 582 HB3 LYS 83 2HB LYS 83 -9.778 2.640 1.331 583 HG2 LYS 83 1HG LYS 83 -11.562 3.741 0.108 584 HG3 LYS 83 2HG LYS 83 -12.394 2.197 -0.094 585 HD2 LYS 83 1HD LYS 83 -13.004 2.084 2.129 586 HD3 LYS 83 2HD LYS 83 -11.687 3.136 2.652 587 HE2 LYS 83 1HE LYS 83 -12.814 5.060 2.068 588 HE3 LYS 83 2HE LYS 83 -13.819 4.235 0.877 589 HZ1 LYS 83 1HZ LYS 83 -14.069 3.798 3.799 590 HZ2 LYS 83 2HZ LYS 83 -15.130 3.284 2.587 591 HZ3 LYS 83 3HZ LYS 83 -14.992 4.931 2.947 592 H ILE 84 H ILE 84 -10.703 2.529 -2.825 593 HA ILE 84 HA ILE 84 -9.142 5.024 -2.885 594 HB ILE 84 HB ILE 84 -9.769 5.012 -5.359 595 HG12 ILE 84 1HG1 ILE 84 -10.170 2.059 -4.941 596 HG13 ILE 84 2HG1 ILE 84 -11.533 3.173 -4.909 597 HG21 ILE 84 1HG2 ILE 84 -7.685 3.764 -3.924 598 HG22 ILE 84 2HG2 ILE 84 -8.099 2.702 -5.269 599 HG23 ILE 84 3HG2 ILE 84 -7.654 4.380 -5.576 600 HD11 ILE 84 1HD1 ILE 84 -11.503 2.417 -7.093 601 HD12 ILE 84 2HD1 ILE 84 -10.652 3.958 -7.197 602 HD13 ILE 84 3HD1 ILE 84 -9.743 2.448 -7.187 603 H ASP 85 H ASP 85 -10.169 6.949 -3.660 604 HA ASP 85 HA ASP 85 -12.765 7.342 -2.578 605 HB2 ASP 85 1HB ASP 85 -11.482 9.267 -2.476 606 HB3 ASP 85 2HB ASP 85 -10.815 9.032 -4.089 607 H ARG 86 H ARG 86 -11.542 6.692 -5.784 608 HA ARG 86 HA ARG 86 -12.631 5.992 -7.668 609 HB2 ARG 86 1HB ARG 86 -14.273 5.030 -5.899 610 HB3 ARG 86 2HB ARG 86 -15.290 6.397 -6.334 611 HG2 ARG 86 1HG ARG 86 -16.103 4.760 -7.718 612 HG3 ARG 86 2HG ARG 86 -14.919 5.544 -8.766 613 HD2 ARG 86 1HD ARG 86 -14.058 3.251 -7.067 614 HD3 ARG 86 2HD ARG 86 -14.994 2.929 -8.526 615 HE ARG 86 HE ARG 86 -12.259 3.583 -8.412 616 HH11 ARG 86 2HH1 ARG 86 -15.131 4.294 -10.246 617 HH12 ARG 86 1HH1 ARG 86 -14.269 4.637 -11.709 618 HH21 ARG 86 2HH2 ARG 86 -11.113 4.032 -10.332 619 HH22 ARG 86 1HH2 ARG 86 -11.984 4.487 -11.757 620 H ALA 87 H ALA 87 -11.772 8.489 -7.681 621 HA ALA 87 HA ALA 87 -13.819 10.432 -8.159 622 HB1 ALA 87 1HB ALA 87 -12.094 11.767 -7.758 623 HB2 ALA 87 2HB ALA 87 -10.968 10.415 -7.886 624 HB3 ALA 87 3HB ALA 87 -11.425 11.322 -9.328 625 H GLU 88 H GLU 88 -15.093 10.352 -9.887 626 HA GLU 88 HA GLU 88 -14.595 8.886 -12.217 627 HB2 GLU 88 1HB GLU 88 -16.513 10.064 -13.172 628 HB3 GLU 88 2HB GLU 88 -16.845 9.557 -11.522 629 HG2 GLU 88 1HG GLU 88 -16.505 11.787 -10.708 630 HG3 GLU 88 2HG GLU 88 -15.977 12.331 -12.299 631 H THR 89 H THR 89 -14.040 12.285 -11.454 632 HA THR 89 HA THR 89 -12.563 12.540 -13.994 633 HB THR 89 HB THR 89 -13.881 14.820 -12.514 634 HG1 THR 89 1HG THR 89 -14.820 13.532 -14.874 635 HG21 THR 89 1HG2 THR 89 -12.947 16.165 -14.036 636 HG22 THR 89 2HG2 THR 89 -13.427 15.110 -15.365 637 HG23 THR 89 3HG2 THR 89 -11.929 14.798 -14.489 638 H ARG 90 H ARG 90 -12.466 12.746 -10.586 639 HA ARG 90 HA ARG 90 -10.800 13.198 -9.105 640 HB2 ARG 90 1HB ARG 90 -9.285 12.770 -11.646 641 HB3 ARG 90 2HB ARG 90 -8.430 13.402 -10.245 642 HG2 ARG 90 1HG ARG 90 -9.280 11.432 -8.952 643 HG3 ARG 90 2HG ARG 90 -9.883 10.781 -10.477 644 HD2 ARG 90 1HD ARG 90 -7.014 11.589 -10.087 645 HD3 ARG 90 2HD ARG 90 -7.600 9.973 -9.699 646 HE ARG 90 HE ARG 90 -7.806 9.522 -11.956 647 HH11 ARG 90 2HH1 ARG 90 -7.065 12.886 -11.453 648 HH12 ARG 90 1HH1 ARG 90 -6.710 13.192 -13.121 649 HH21 ARG 90 2HH2 ARG 90 -7.341 9.912 -14.155 650 HH22 ARG 90 1HH2 ARG 90 -6.868 11.500 -14.657 651 H LEU 91 H LEU 91 -12.307 15.356 -10.264 652 HA LEU 91 HA LEU 91 -10.327 17.528 -10.316 653 HB2 LEU 91 1HB LEU 91 -11.982 17.238 -12.211 654 HB3 LEU 91 2HB LEU 91 -13.233 17.717 -11.067 655 HG LEU 91 HG LEU 91 -11.900 19.865 -10.753 656 HD11 LEU 91 1HD1 LEU 91 -9.961 18.621 -12.133 657 HD12 LEU 91 2HD1 LEU 91 -10.135 20.374 -12.061 658 HD13 LEU 91 3HD1 LEU 91 -10.764 19.482 -13.446 659 HD21 LEU 91 1HD2 LEU 91 -13.418 19.074 -13.197 660 HD22 LEU 91 2HD2 LEU 91 -12.710 20.686 -13.096 661 HD23 LEU 91 3HD2 LEU 91 -13.881 20.159 -11.886 662 H TRP 92 H TRP 92 -13.695 17.127 -9.206 663 HA TRP 92 HA TRP 92 -13.053 17.852 -6.519 664 HB2 TRP 92 1HB TRP 92 -12.971 20.069 -7.701 665 HB3 TRP 92 2HB TRP 92 -14.675 19.860 -8.093 666 HD1 TRP 92 HD TRP 92 -16.439 20.228 -6.148 667 HE1 TRP 92 1HE TRP 92 -16.257 21.283 -3.807 668 HE3 TRP 92 3HE TRP 92 -11.348 20.331 -5.697 669 HZ2 TRP 92 2HZ TRP 92 -14.225 22.057 -2.008 670 HZ3 TRP 92 3HZ TRP 92 -10.365 21.245 -3.634 671 HH2 TRP 92 HH TRP 92 -11.775 22.090 -1.830 672 H SER 93 H SER 93 -14.963 17.895 -5.125 673 HA SER 93 HA SER 93 -17.510 17.114 -6.185 674 HB2 SER 93 1HB SER 93 -17.607 14.895 -5.146 675 HB3 SER 93 2HB SER 93 -16.304 14.966 -6.333 676 HG SER 93 HG SER 93 -15.088 15.646 -4.230 677 HA PRO 94 HA PRO 94 -18.699 19.030 -2.400 678 HB2 PRO 94 1HB PRO 94 -21.289 18.219 -2.329 679 HB3 PRO 94 2HB PRO 94 -20.703 19.468 -3.434 680 HG2 PRO 94 1HG PRO 94 -21.217 16.566 -3.958 681 HG3 PRO 94 2HG PRO 94 -21.617 17.972 -4.962 682 HD2 PRO 94 1HD PRO 94 -19.467 16.399 -5.448 683 HD3 PRO 94 2HD PRO 94 -19.478 18.139 -5.802 684 H GLN 95 H GLN 95 -18.751 15.632 -2.910 685 HA GLN 95 HA GLN 95 -18.516 15.178 -0.050 686 HB2 GLN 95 1HB GLN 95 -20.978 14.970 -0.775 687 HB3 GLN 95 2HB GLN 95 -20.475 13.501 -1.600 688 HG2 GLN 95 1HG GLN 95 -21.442 13.140 0.660 689 HG3 GLN 95 2HG GLN 95 -19.822 12.480 0.444 690 HE21 GLN 95 1HE2 GLN 95 -21.052 15.721 1.199 691 HE22 GLN 95 2HE2 GLN 95 -20.124 15.924 2.642 692 H VAL 96 H VAL 96 -17.475 13.232 0.486 693 HA VAL 96 HA VAL 96 -15.979 12.058 -1.744 694 HB VAL 96 HB VAL 96 -14.659 12.971 0.115 695 HG11 VAL 96 1HG1 VAL 96 -16.607 12.029 1.745 696 HG12 VAL 96 2HG1 VAL 96 -15.358 10.803 1.972 697 HG13 VAL 96 3HG1 VAL 96 -14.998 12.501 2.289 698 HG21 VAL 96 1HG2 VAL 96 -13.093 11.366 -0.084 699 HG22 VAL 96 2HG2 VAL 96 -14.174 10.094 0.483 700 HG23 VAL 96 3HG2 VAL 96 -14.252 10.635 -1.194 701 H SER 97 H SER 97 -15.866 9.851 -2.095 702 HA SER 97 HA SER 97 -18.072 8.302 -1.925 703 HB2 SER 97 1HB SER 97 -15.169 7.657 -2.083 704 HB3 SER 97 2HB SER 97 -16.278 6.327 -1.748 705 HG SER 97 HG SER 97 -16.938 8.076 -3.818 706 H SER 98 H SER 98 -15.341 7.742 0.299 707 HA SER 98 HA SER 98 -16.571 6.076 2.082 708 HB2 SER 98 1HB SER 98 -14.967 6.953 3.791 709 HB3 SER 98 2HB SER 98 -14.206 6.549 2.253 710 HG SER 98 HG SER 98 -13.864 8.743 3.435 711 H GLY 99 H GLY 99 -17.381 6.465 4.280 712 HA2 GLY 99 1HA GLY 99 -18.188 8.436 5.719 713 HA3 GLY 99 2HA GLY 99 -19.149 8.822 4.300 714 HA PRO 100 HA PRO 100 -21.702 6.159 7.110 715 HB2 PRO 100 1HB PRO 100 -23.926 7.707 6.943 716 HB3 PRO 100 2HB PRO 100 -22.641 7.996 8.122 717 HG2 PRO 100 1HG PRO 100 -23.143 9.347 5.498 718 HG3 PRO 100 2HG PRO 100 -22.684 10.062 7.055 719 HD2 PRO 100 1HD PRO 100 -20.896 9.621 5.070 720 HD3 PRO 100 2HD PRO 100 -20.459 9.524 6.788 721 H SER 101 H SER 101 -22.741 4.471 6.261 722 HA SER 101 HA SER 101 -24.483 4.809 3.958 723 HB2 SER 101 1HB SER 101 -22.389 4.362 2.846 724 HB3 SER 101 2HB SER 101 -22.055 3.003 3.919 725 HG SER 101 HG SER 101 -24.374 3.054 2.316 726 H SER 102 H SER 102 -26.302 3.972 4.744 727 HA SER 102 HA SER 102 -26.158 1.499 6.328 728 HB2 SER 102 1HB SER 102 -28.323 2.088 7.234 729 HB3 SER 102 2HB SER 102 -27.257 3.486 7.377 730 HG SER 102 HG SER 102 -29.599 3.285 6.092 731 H GLY 103 H GLY 103 -25.846 1.249 3.580 732 HA2 GLY 103 1HA GLY 103 -26.895 -0.724 2.485 733 HA3 GLY 103 2HA GLY 103 -28.436 0.070 2.780 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -26.165 15.195 -0.849 2 HA2 GLY 1 1HA GLY 1 -27.607 12.754 -0.795 3 HA3 GLY 1 2HA GLY 1 -27.028 13.071 -2.424 4 H SER 2 H SER 2 -25.677 13.413 0.861 5 HA SER 2 HA SER 2 -23.054 12.704 -0.006 6 HB2 SER 2 1HB SER 2 -22.447 12.829 2.349 7 HB3 SER 2 2HB SER 2 -23.491 14.189 1.937 8 HG SER 2 HG SER 2 -24.767 11.903 2.844 9 H SER 3 H SER 3 -22.650 10.707 -0.710 10 HA SER 3 HA SER 3 -23.532 8.452 0.969 11 HB2 SER 3 1HB SER 3 -24.841 8.455 -1.090 12 HB3 SER 3 2HB SER 3 -23.366 8.534 -2.054 13 HG SER 3 HG SER 3 -23.764 6.438 -0.217 14 H GLY 4 H GLY 4 -22.147 6.570 0.917 15 HA2 GLY 4 1HA GLY 4 -19.409 7.226 1.156 16 HA3 GLY 4 2HA GLY 4 -20.080 5.602 1.167 17 H SER 5 H SER 5 -20.486 4.572 -0.907 18 HA SER 5 HA SER 5 -19.870 3.912 -2.996 19 HB2 SER 5 1HB SER 5 -20.741 6.129 -3.677 20 HB3 SER 5 2HB SER 5 -19.142 6.823 -3.407 21 HG SER 5 HG SER 5 -18.341 5.566 -5.070 22 H SER 6 H SER 6 -18.023 3.675 -0.868 23 HA SER 6 HA SER 6 -15.426 4.543 -1.555 24 HB2 SER 6 1HB SER 6 -14.645 2.920 0.099 25 HB3 SER 6 2HB SER 6 -16.053 3.785 0.714 26 HG SER 6 HG SER 6 -17.316 1.998 0.268 27 H GLY 7 H GLY 7 -13.904 3.726 -2.877 28 HA2 GLY 7 1HA GLY 7 -14.686 1.512 -4.608 29 HA3 GLY 7 2HA GLY 7 -13.334 2.606 -4.862 30 H ASN 8 H ASN 8 -14.397 -0.354 -3.419 31 HA ASN 8 HA ASN 8 -11.994 -0.862 -1.947 32 HB2 ASN 8 1HB ASN 8 -12.974 -3.263 -1.960 33 HB3 ASN 8 2HB ASN 8 -13.850 -2.003 -1.096 34 HD21 ASN 8 1HD2 ASN 8 -13.658 -3.561 -4.268 35 HD22 ASN 8 2HD2 ASN 8 -15.354 -3.498 -4.594 36 H VAL 9 H VAL 9 -10.240 -2.084 -2.501 37 HA VAL 9 HA VAL 9 -10.173 -3.350 -5.136 38 HB VAL 9 HB VAL 9 -8.144 -1.306 -4.223 39 HG11 VAL 9 1HG1 VAL 9 -8.096 -2.674 -6.882 40 HG12 VAL 9 2HG1 VAL 9 -6.792 -1.857 -6.019 41 HG13 VAL 9 3HG1 VAL 9 -7.355 -3.438 -5.477 42 HG21 VAL 9 1HG2 VAL 9 -9.557 -1.102 -6.817 43 HG22 VAL 9 2HG2 VAL 9 -10.492 -0.750 -5.364 44 HG23 VAL 9 3HG2 VAL 9 -9.026 0.166 -5.712 45 H VAL 10 H VAL 10 -9.794 -5.393 -4.518 46 HA VAL 10 HA VAL 10 -7.695 -5.893 -2.519 47 HB VAL 10 HB VAL 10 -9.597 -7.992 -3.511 48 HG11 VAL 10 1HG1 VAL 10 -9.180 -8.980 -1.331 49 HG12 VAL 10 2HG1 VAL 10 -7.657 -8.665 -2.164 50 HG13 VAL 10 3HG1 VAL 10 -8.194 -7.593 -0.871 51 HG21 VAL 10 1HG2 VAL 10 -11.237 -7.415 -1.922 52 HG22 VAL 10 2HG2 VAL 10 -10.180 -6.243 -1.135 53 HG23 VAL 10 3HG2 VAL 10 -10.830 -5.906 -2.739 54 H LEU 11 H LEU 11 -5.813 -5.978 -3.633 55 HA LEU 11 HA LEU 11 -5.649 -7.394 -6.159 56 HB2 LEU 11 1HB LEU 11 -3.285 -6.327 -4.675 57 HB3 LEU 11 2HB LEU 11 -3.537 -6.472 -6.413 58 HG LEU 11 HG LEU 11 -5.064 -4.511 -4.717 59 HD11 LEU 11 1HD1 LEU 11 -2.870 -3.488 -6.369 60 HD12 LEU 11 2HD1 LEU 11 -2.361 -4.418 -4.960 61 HD13 LEU 11 3HD1 LEU 11 -3.402 -3.009 -4.757 62 HD21 LEU 11 1HD2 LEU 11 -4.583 -4.869 -7.664 63 HD22 LEU 11 2HD2 LEU 11 -5.192 -3.364 -6.974 64 HD23 LEU 11 3HD2 LEU 11 -6.120 -4.854 -6.798 65 HA PRO 12 HA PRO 12 -4.490 -11.252 -4.350 66 HB2 PRO 12 1HB PRO 12 -3.469 -12.414 -6.582 67 HB3 PRO 12 2HB PRO 12 -5.204 -12.204 -6.316 68 HG2 PRO 12 1HG PRO 12 -3.325 -10.546 -7.954 69 HG3 PRO 12 2HG PRO 12 -4.967 -11.090 -8.343 70 HD2 PRO 12 1HD PRO 12 -4.432 -8.586 -7.462 71 HD3 PRO 12 2HD PRO 12 -5.951 -9.425 -7.089 72 H GLY 13 H GLY 13 -2.777 -11.541 -3.074 73 HA2 GLY 13 1HA GLY 13 -0.121 -10.753 -4.097 74 HA3 GLY 13 2HA GLY 13 -0.578 -10.729 -2.401 75 HA PRO 14 HA PRO 14 0.899 -11.087 -1.166 76 HB2 PRO 14 1HB PRO 14 3.515 -11.709 -0.794 77 HB3 PRO 14 2HB PRO 14 2.210 -12.441 0.148 78 HG2 PRO 14 1HG PRO 14 3.682 -13.534 -2.219 79 HG3 PRO 14 2HG PRO 14 3.206 -14.354 -0.721 80 HD2 PRO 14 1HD PRO 14 1.818 -14.619 -3.031 81 HD3 PRO 14 2HD PRO 14 1.038 -14.675 -1.436 82 H ALA 15 H ALA 15 3.075 -9.663 -1.276 83 HA ALA 15 HA ALA 15 2.998 -8.305 -3.718 84 HB1 ALA 15 1HB ALA 15 4.342 -8.029 -1.208 85 HB2 ALA 15 2HB ALA 15 5.479 -7.731 -2.522 86 HB3 ALA 15 3HB ALA 15 3.984 -6.800 -2.421 87 HA PRO 16 HA PRO 16 5.039 -6.805 -4.332 88 HB2 PRO 16 1HB PRO 16 5.428 -6.241 -6.959 89 HB3 PRO 16 2HB PRO 16 6.758 -6.495 -5.824 90 HG2 PRO 16 1HG PRO 16 5.564 -8.401 -7.799 91 HG3 PRO 16 2HG PRO 16 7.271 -8.109 -7.417 92 HD2 PRO 16 1HD PRO 16 5.896 -10.222 -6.428 93 HD3 PRO 16 2HD PRO 16 7.202 -9.426 -5.526 94 H TRP 17 H TRP 17 3.695 -5.245 -5.796 95 HA TRP 17 HA TRP 17 1.159 -6.609 -6.416 96 HB2 TRP 17 1HB TRP 17 1.578 -3.723 -5.608 97 HB3 TRP 17 2HB TRP 17 0.029 -4.524 -5.858 98 HD1 TRP 17 HD TRP 17 2.212 -3.518 -3.148 99 HE1 TRP 17 1HE TRP 17 1.713 -4.828 -0.990 100 HE3 TRP 17 3HE TRP 17 -0.617 -7.290 -5.124 101 HZ2 TRP 17 2HZ TRP 17 0.306 -7.153 -0.226 102 HZ3 TRP 17 3HZ TRP 17 -1.501 -9.018 -3.611 103 HH2 TRP 17 HH TRP 17 -1.048 -8.949 -1.213 104 H GLY 18 H GLY 18 2.944 -3.651 -7.331 105 HA2 GLY 18 1HA GLY 18 3.621 -3.513 -9.719 106 HA3 GLY 18 2HA GLY 18 2.010 -4.101 -10.100 107 H PHE 19 H PHE 19 2.656 -1.755 -7.581 108 HA PHE 19 HA PHE 19 1.794 0.443 -9.289 109 HB2 PHE 19 1HB PHE 19 -0.122 1.005 -8.101 110 HB3 PHE 19 2HB PHE 19 -0.202 -0.754 -8.104 111 HD1 PHE 19 1HD PHE 19 0.405 2.228 -6.077 112 HD2 PHE 19 2HD PHE 19 0.140 -2.020 -6.082 113 HE1 PHE 19 1HE PHE 19 0.290 2.236 -3.620 114 HE2 PHE 19 2HE PHE 19 0.023 -2.018 -3.624 115 HZ PHE 19 HZ PHE 19 0.098 0.111 -2.390 116 H ARG 20 H ARG 20 2.495 2.444 -8.615 117 HA ARG 20 HA ARG 20 4.431 2.406 -6.415 118 HB2 ARG 20 1HB ARG 20 4.069 4.579 -8.476 119 HB3 ARG 20 2HB ARG 20 5.455 4.307 -7.428 120 HG2 ARG 20 1HG ARG 20 4.589 2.723 -9.823 121 HG3 ARG 20 2HG ARG 20 6.115 3.567 -9.552 122 HD2 ARG 20 1HD ARG 20 6.827 1.965 -7.965 123 HD3 ARG 20 2HD ARG 20 5.217 1.254 -7.853 124 HE ARG 20 HE ARG 20 5.663 0.018 -9.734 125 HH11 ARG 20 2HH1 ARG 20 8.066 2.514 -9.391 126 HH12 ARG 20 1HH1 ARG 20 9.082 1.889 -10.647 127 HH21 ARG 20 2HH2 ARG 20 6.992 -0.814 -11.390 128 HH22 ARG 20 1HH2 ARG 20 8.470 -0.003 -11.785 129 H LEU 21 H LEU 21 4.648 4.694 -5.355 130 HA LEU 21 HA LEU 21 1.960 5.711 -4.721 131 HB2 LEU 21 1HB LEU 21 3.002 6.096 -2.376 132 HB3 LEU 21 2HB LEU 21 2.378 4.506 -2.812 133 HG LEU 21 HG LEU 21 4.616 3.679 -3.177 134 HD11 LEU 21 1HD1 LEU 21 6.549 5.192 -2.534 135 HD12 LEU 21 2HD1 LEU 21 5.417 6.534 -2.694 136 HD13 LEU 21 3HD1 LEU 21 5.774 5.512 -4.086 137 HD21 LEU 21 1HD2 LEU 21 4.754 5.188 -0.591 138 HD22 LEU 21 2HD2 LEU 21 5.306 3.553 -0.955 139 HD23 LEU 21 3HD2 LEU 21 3.580 3.895 -0.834 140 H SER 22 H SER 22 1.819 7.905 -4.159 141 HA SER 22 HA SER 22 4.245 9.519 -4.410 142 HB2 SER 22 1HB SER 22 2.843 9.220 -6.638 143 HB3 SER 22 2HB SER 22 1.828 10.457 -5.897 144 HG SER 22 HG SER 22 3.260 11.826 -6.564 145 H GLY 23 H GLY 23 3.933 11.760 -3.702 146 HA2 GLY 23 1HA GLY 23 3.096 13.370 -2.286 147 HA3 GLY 23 2HA GLY 23 1.539 12.561 -2.382 148 H GLY 24 H GLY 24 1.183 12.917 -0.154 149 HA2 GLY 24 1HA GLY 24 1.372 10.984 1.619 150 HA3 GLY 24 2HA GLY 24 3.015 11.600 1.710 151 H ILE 25 H ILE 25 0.935 11.523 3.770 152 HA ILE 25 HA ILE 25 -0.182 14.077 4.182 153 HB ILE 25 HB ILE 25 -0.456 13.389 6.535 154 HG12 ILE 25 1HG1 ILE 25 0.755 10.730 5.872 155 HG13 ILE 25 2HG1 ILE 25 1.800 12.049 6.388 156 HG21 ILE 25 1HG2 ILE 25 -2.287 12.422 5.739 157 HG22 ILE 25 2HG2 ILE 25 -1.477 12.066 4.214 158 HG23 ILE 25 3HG2 ILE 25 -1.380 10.921 5.552 159 HD11 ILE 25 1HD1 ILE 25 -0.565 11.571 8.067 160 HD12 ILE 25 2HD1 ILE 25 0.655 10.296 8.064 161 HD13 ILE 25 3HD1 ILE 25 1.099 11.941 8.517 162 H ASP 26 H ASP 26 3.020 13.046 4.315 163 HA ASP 26 HA ASP 26 3.842 15.021 6.295 164 HB2 ASP 26 1HB ASP 26 5.157 13.157 6.602 165 HB3 ASP 26 2HB ASP 26 5.165 12.748 4.888 166 H PHE 27 H PHE 27 3.618 14.630 2.875 167 HA PHE 27 HA PHE 27 5.330 16.961 2.400 168 HB2 PHE 27 1HB PHE 27 4.111 14.974 0.472 169 HB3 PHE 27 2HB PHE 27 5.116 16.341 0.000 170 HD1 PHE 27 2HD PHE 27 7.504 16.377 0.564 171 HD2 PHE 27 1HD PHE 27 5.059 12.995 1.399 172 HE1 PHE 27 2HE PHE 27 9.519 14.997 0.857 173 HE2 PHE 27 1HE PHE 27 7.070 11.609 1.694 174 HZ PHE 27 HZ PHE 27 9.304 12.609 1.422 175 H ASN 28 H ASN 28 2.399 16.733 3.420 176 HA ASN 28 HA ASN 28 0.492 17.964 3.279 177 HB2 ASN 28 1HB ASN 28 2.255 19.813 1.656 178 HB3 ASN 28 2HB ASN 28 0.680 20.236 2.320 179 HD21 ASN 28 1HD2 ASN 28 3.816 20.699 2.776 180 HD22 ASN 28 2HD2 ASN 28 3.876 20.866 4.494 181 H GLN 29 H GLN 29 0.972 15.897 1.316 182 HA GLN 29 HA GLN 29 -0.932 16.807 -0.708 183 HB2 GLN 29 1HB GLN 29 1.782 15.641 -1.238 184 HB3 GLN 29 2HB GLN 29 0.470 15.399 -2.384 185 HG2 GLN 29 1HG GLN 29 1.276 18.127 -1.433 186 HG3 GLN 29 2HG GLN 29 2.048 17.339 -2.808 187 HE21 GLN 29 1HE2 GLN 29 0.526 16.548 -4.509 188 HE22 GLN 29 2HE2 GLN 29 -0.819 17.559 -4.900 189 HA PRO 30 HA PRO 30 -2.884 12.951 0.066 190 HB2 PRO 30 1HB PRO 30 -4.131 12.543 -2.311 191 HB3 PRO 30 2HB PRO 30 -4.663 13.759 -1.143 192 HG2 PRO 30 1HG PRO 30 -3.000 14.101 -3.609 193 HG3 PRO 30 2HG PRO 30 -4.332 15.107 -3.009 194 HD2 PRO 30 1HD PRO 30 -1.731 15.779 -2.667 195 HD3 PRO 30 2HD PRO 30 -2.989 16.199 -1.487 196 H LEU 31 H LEU 31 -2.716 10.738 -0.322 197 HA LEU 31 HA LEU 31 -0.308 9.906 -1.653 198 HB2 LEU 31 1HB LEU 31 -2.441 8.499 -0.087 199 HB3 LEU 31 2HB LEU 31 -1.205 7.593 -0.957 200 HG LEU 31 HG LEU 31 -0.630 9.628 1.194 201 HD11 LEU 31 1HD1 LEU 31 0.035 6.939 1.900 202 HD12 LEU 31 2HD1 LEU 31 -1.672 7.030 1.469 203 HD13 LEU 31 3HD1 LEU 31 -1.024 8.080 2.729 204 HD21 LEU 31 1HD2 LEU 31 1.173 9.314 -0.434 205 HD22 LEU 31 2HD2 LEU 31 1.131 7.575 -0.144 206 HD23 LEU 31 3HD2 LEU 31 1.609 8.674 1.150 207 H VAL 32 H VAL 32 -0.316 9.827 -3.811 208 HA VAL 32 HA VAL 32 -2.503 8.351 -5.119 209 HB VAL 32 HB VAL 32 -1.833 9.905 -7.147 210 HG11 VAL 32 1HG1 VAL 32 -3.948 10.525 -6.883 211 HG12 VAL 32 2HG1 VAL 32 -3.915 9.846 -5.254 212 HG13 VAL 32 3HG1 VAL 32 -3.513 11.544 -5.511 213 HG21 VAL 32 1HG2 VAL 32 -1.153 11.589 -4.739 214 HG22 VAL 32 2HG2 VAL 32 -0.056 11.101 -6.030 215 HG23 VAL 32 3HG2 VAL 32 -1.382 12.212 -6.373 216 H ILE 33 H ILE 33 -1.923 6.889 -6.658 217 HA ILE 33 HA ILE 33 0.653 5.809 -6.634 218 HB ILE 33 HB ILE 33 -1.458 5.494 -8.771 219 HG12 ILE 33 1HG1 ILE 33 -0.865 3.742 -6.377 220 HG13 ILE 33 2HG1 ILE 33 -2.183 4.906 -6.452 221 HG21 ILE 33 1HG2 ILE 33 1.218 4.580 -8.668 222 HG22 ILE 33 2HG2 ILE 33 0.167 3.186 -8.423 223 HG23 ILE 33 3HG2 ILE 33 -0.025 4.195 -9.857 224 HD11 ILE 33 1HD1 ILE 33 -1.834 2.439 -8.133 225 HD12 ILE 33 2HD1 ILE 33 -3.062 2.741 -6.902 226 HD13 ILE 33 3HD1 ILE 33 -3.077 3.659 -8.408 227 H THR 34 H THR 34 2.390 5.933 -8.012 228 HA THR 34 HA THR 34 2.539 8.356 -9.621 229 HB THR 34 HB THR 34 4.812 8.284 -9.394 230 HG1 THR 34 1HG THR 34 5.193 6.344 -10.474 231 HG21 THR 34 1HG2 THR 34 4.944 6.518 -7.158 232 HG22 THR 34 2HG2 THR 34 3.408 7.383 -7.103 233 HG23 THR 34 3HG2 THR 34 4.924 8.281 -7.171 234 H ARG 35 H ARG 35 2.998 4.857 -10.007 235 HA ARG 35 HA ARG 35 2.272 5.087 -12.810 236 HB2 ARG 35 1HB ARG 35 4.943 4.024 -11.888 237 HB3 ARG 35 2HB ARG 35 4.264 3.674 -13.472 238 HG2 ARG 35 1HG ARG 35 4.679 6.482 -12.501 239 HG3 ARG 35 2HG ARG 35 5.946 5.566 -13.320 240 HD2 ARG 35 1HD ARG 35 4.622 5.355 -15.292 241 HD3 ARG 35 2HD ARG 35 3.199 5.999 -14.474 242 HE ARG 35 HE ARG 35 4.013 8.131 -14.780 243 HH11 ARG 35 2HH1 ARG 35 6.472 5.797 -15.574 244 HH12 ARG 35 1HH1 ARG 35 7.532 6.965 -16.291 245 HH21 ARG 35 2HH2 ARG 35 5.400 9.677 -15.722 246 HH22 ARG 35 1HH2 ARG 35 6.922 9.171 -16.375 247 H ILE 36 H ILE 36 2.023 2.908 -13.825 248 HA ILE 36 HA ILE 36 1.458 0.804 -11.853 249 HB ILE 36 HB ILE 36 -0.417 1.800 -13.992 250 HG12 ILE 36 1HG1 ILE 36 -0.527 2.935 -11.811 251 HG13 ILE 36 2HG1 ILE 36 -1.989 2.007 -12.125 252 HG21 ILE 36 1HG2 ILE 36 -1.876 -0.118 -13.304 253 HG22 ILE 36 2HG2 ILE 36 -0.433 -0.571 -14.209 254 HG23 ILE 36 3HG2 ILE 36 -0.481 -0.792 -12.461 255 HD11 ILE 36 1HD1 ILE 36 -1.725 0.917 -10.225 256 HD12 ILE 36 2HD1 ILE 36 -0.131 0.358 -10.735 257 HD13 ILE 36 3HD1 ILE 36 -0.297 1.893 -9.883 258 H THR 37 H THR 37 1.668 -1.307 -12.591 259 HA THR 37 HA THR 37 3.410 -1.629 -14.867 260 HB THR 37 HB THR 37 2.241 -3.892 -13.266 261 HG1 THR 37 1HG THR 37 3.367 -1.974 -12.081 262 HG21 THR 37 1HG2 THR 37 3.577 -4.405 -15.285 263 HG22 THR 37 2HG2 THR 37 4.336 -4.988 -13.803 264 HG23 THR 37 3HG2 THR 37 4.933 -3.523 -14.583 265 HA PRO 38 HA PRO 38 -0.065 -2.346 -17.599 266 HB2 PRO 38 1HB PRO 38 1.436 -2.589 -19.848 267 HB3 PRO 38 2HB PRO 38 1.041 -1.027 -19.122 268 HG2 PRO 38 1HG PRO 38 3.552 -2.641 -18.893 269 HG3 PRO 38 2HG PRO 38 3.362 -0.894 -19.130 270 HD2 PRO 38 1HD PRO 38 3.921 -1.984 -16.715 271 HD3 PRO 38 2HD PRO 38 2.951 -0.507 -16.895 272 H GLY 39 H GLY 39 -0.575 -4.415 -16.696 273 HA2 GLY 39 1HA GLY 39 -1.075 -6.601 -17.615 274 HA3 GLY 39 2HA GLY 39 0.554 -6.637 -18.274 275 H SER 40 H SER 40 -0.785 -5.981 -15.035 276 HA SER 40 HA SER 40 0.538 -8.339 -13.980 277 HB2 SER 40 1HB SER 40 2.098 -7.310 -12.640 278 HB3 SER 40 2HB SER 40 2.084 -6.170 -13.986 279 HG SER 40 HG SER 40 0.499 -4.968 -12.756 280 H LYS 41 H LYS 41 0.299 -8.048 -11.356 281 HA LYS 41 HA LYS 41 -2.414 -8.408 -10.833 282 HB2 LYS 41 1HB LYS 41 -0.317 -7.573 -8.823 283 HB3 LYS 41 2HB LYS 41 -1.820 -8.424 -8.490 284 HG2 LYS 41 1HG LYS 41 0.106 -9.677 -10.370 285 HG3 LYS 41 2HG LYS 41 0.490 -9.684 -8.648 286 HD2 LYS 41 1HD LYS 41 -1.379 -10.964 -8.111 287 HD3 LYS 41 2HD LYS 41 -2.209 -10.556 -9.614 288 HE2 LYS 41 1HE LYS 41 -1.465 -12.836 -9.738 289 HE3 LYS 41 2HE LYS 41 -0.501 -11.865 -10.850 290 HZ1 LYS 41 1HZ LYS 41 1.356 -12.034 -9.528 291 HZ2 LYS 41 2HZ LYS 41 0.656 -13.557 -9.299 292 HZ3 LYS 41 3HZ LYS 41 0.478 -12.358 -8.119 293 H ALA 42 H ALA 42 -0.508 -5.517 -10.943 294 HA ALA 42 HA ALA 42 -2.365 -3.887 -9.477 295 HB1 ALA 42 1HB ALA 42 -0.842 -2.125 -10.901 296 HB2 ALA 42 2HB ALA 42 -0.423 -2.784 -9.319 297 HB3 ALA 42 3HB ALA 42 0.226 -3.523 -10.782 298 H ALA 43 H ALA 43 -1.241 -3.450 -12.826 299 HA ALA 43 HA ALA 43 -3.350 -1.909 -13.709 300 HB1 ALA 43 1HB ALA 43 -2.746 -2.789 -16.007 301 HB2 ALA 43 2HB ALA 43 -1.438 -2.054 -15.079 302 HB3 ALA 43 3HB ALA 43 -1.558 -3.809 -15.196 303 H ALA 44 H ALA 44 -3.050 -5.441 -13.743 304 HA ALA 44 HA ALA 44 -5.411 -6.019 -15.133 305 HB1 ALA 44 1HB ALA 44 -5.175 -8.244 -14.364 306 HB2 ALA 44 2HB ALA 44 -3.539 -7.612 -14.561 307 HB3 ALA 44 3HB ALA 44 -4.250 -7.735 -12.951 308 H ALA 45 H ALA 45 -4.898 -4.926 -11.903 309 HA ALA 45 HA ALA 45 -7.562 -5.725 -11.028 310 HB1 ALA 45 1HB ALA 45 -5.134 -4.657 -9.688 311 HB2 ALA 45 2HB ALA 45 -6.702 -4.366 -8.934 312 HB3 ALA 45 3HB ALA 45 -6.166 -6.017 -9.245 313 H ASN 46 H ASN 46 -7.037 -3.679 -13.165 314 HA ASN 46 HA ASN 46 -7.896 -1.693 -13.865 315 HB2 ASN 46 1HB ASN 46 -9.728 -1.865 -11.469 316 HB3 ASN 46 2HB ASN 46 -10.020 -1.015 -12.983 317 HD21 ASN 46 1HD2 ASN 46 -9.848 -4.124 -11.426 318 HD22 ASN 46 2HD2 ASN 46 -10.684 -5.007 -12.654 319 H LEU 47 H LEU 47 -5.593 -1.496 -12.357 320 HA LEU 47 HA LEU 47 -6.038 0.819 -10.606 321 HB2 LEU 47 1HB LEU 47 -3.614 -0.946 -10.923 322 HB3 LEU 47 2HB LEU 47 -3.747 0.413 -9.809 323 HG LEU 47 HG LEU 47 -5.495 -2.040 -9.680 324 HD11 LEU 47 1HD1 LEU 47 -3.533 -1.706 -7.566 325 HD12 LEU 47 2HD1 LEU 47 -2.791 -1.960 -9.145 326 HD13 LEU 47 3HD1 LEU 47 -3.946 -3.135 -8.515 327 HD21 LEU 47 1HD2 LEU 47 -6.675 -0.592 -8.420 328 HD22 LEU 47 2HD2 LEU 47 -5.303 0.492 -8.187 329 HD23 LEU 47 3HD2 LEU 47 -5.452 -0.967 -7.205 330 H CYS 48 H CYS 48 -5.090 2.777 -10.995 331 HA CYS 48 HA CYS 48 -3.261 3.059 -13.247 332 HB2 CYS 48 1HB CYS 48 -6.051 4.093 -13.169 333 HB3 CYS 48 2HB CYS 48 -4.816 5.149 -13.844 334 HG CYS 48 HG CYS 48 -3.977 3.130 -15.710 335 HA PRO 49 HA PRO 49 -1.370 6.067 -10.670 336 HB2 PRO 49 1HB PRO 49 -0.216 7.671 -12.531 337 HB3 PRO 49 2HB PRO 49 0.382 6.050 -12.156 338 HG2 PRO 49 1HG PRO 49 -1.358 6.950 -14.419 339 HG3 PRO 49 2HG PRO 49 0.015 5.827 -14.441 340 HD2 PRO 49 1HD PRO 49 -2.558 4.983 -14.439 341 HD3 PRO 49 2HD PRO 49 -1.251 4.066 -13.662 342 H GLY 50 H GLY 50 -2.937 7.247 -9.635 343 HA2 GLY 50 1HA GLY 50 -3.281 9.877 -9.895 344 HA3 GLY 50 2HA GLY 50 -4.420 9.284 -11.095 345 H ASP 51 H ASP 51 -4.619 6.873 -9.085 346 HA ASP 51 HA ASP 51 -7.045 7.759 -7.889 347 HB2 ASP 51 1HB ASP 51 -5.447 5.247 -7.882 348 HB3 ASP 51 2HB ASP 51 -6.614 5.472 -6.583 349 H VAL 52 H VAL 52 -7.538 8.011 -5.681 350 HA VAL 52 HA VAL 52 -5.262 8.944 -4.086 351 HB VAL 52 HB VAL 52 -8.223 9.465 -3.851 352 HG11 VAL 52 1HG1 VAL 52 -6.135 9.624 -1.828 353 HG12 VAL 52 2HG1 VAL 52 -6.981 11.154 -2.070 354 HG13 VAL 52 3HG1 VAL 52 -7.888 9.699 -1.655 355 HG21 VAL 52 1HG2 VAL 52 -7.823 11.351 -4.964 356 HG22 VAL 52 2HG2 VAL 52 -6.459 11.754 -3.921 357 HG23 VAL 52 3HG2 VAL 52 -6.219 10.713 -5.324 358 H ILE 53 H ILE 53 -4.440 7.513 -2.715 359 HA ILE 53 HA ILE 53 -5.854 5.206 -1.824 360 HB ILE 53 HB ILE 53 -3.283 6.344 -0.723 361 HG12 ILE 53 1HG1 ILE 53 -3.286 5.909 -3.207 362 HG13 ILE 53 2HG1 ILE 53 -2.105 4.976 -2.295 363 HG21 ILE 53 1HG2 ILE 53 -3.633 3.458 -0.714 364 HG22 ILE 53 2HG2 ILE 53 -3.131 4.542 0.583 365 HG23 ILE 53 3HG2 ILE 53 -4.846 4.298 0.252 366 HD11 ILE 53 1HD1 ILE 53 -3.043 3.028 -2.851 367 HD12 ILE 53 2HD1 ILE 53 -4.684 3.644 -2.647 368 HD13 ILE 53 3HD1 ILE 53 -3.803 3.958 -4.143 369 H LEU 54 H LEU 54 -7.354 5.169 -0.298 370 HA LEU 54 HA LEU 54 -7.462 7.299 1.690 371 HB2 LEU 54 1HB LEU 54 -9.382 5.078 1.012 372 HB3 LEU 54 2HB LEU 54 -9.653 6.274 2.278 373 HG LEU 54 HG LEU 54 -9.308 6.980 -0.632 374 HD11 LEU 54 1HD1 LEU 54 -11.645 5.979 0.847 375 HD12 LEU 54 2HD1 LEU 54 -11.299 5.965 -0.882 376 HD13 LEU 54 3HD1 LEU 54 -11.918 7.429 -0.119 377 HD21 LEU 54 1HD2 LEU 54 -8.922 8.932 0.498 378 HD22 LEU 54 2HD2 LEU 54 -9.928 8.469 1.870 379 HD23 LEU 54 3HD2 LEU 54 -10.679 8.996 0.363 380 H ALA 55 H ALA 55 -7.423 3.744 1.580 381 HA ALA 55 HA ALA 55 -6.075 3.736 4.176 382 HB1 ALA 55 1HB ALA 55 -8.667 2.360 3.563 383 HB2 ALA 55 2HB ALA 55 -7.577 1.754 4.810 384 HB3 ALA 55 3HB ALA 55 -8.249 3.379 4.941 385 H ILE 56 H ILE 56 -4.905 1.793 4.620 386 HA ILE 56 HA ILE 56 -4.404 0.147 2.226 387 HB ILE 56 HB ILE 56 -2.404 1.031 4.310 388 HG12 ILE 56 1HG1 ILE 56 -2.286 1.596 1.359 389 HG13 ILE 56 2HG1 ILE 56 -3.210 2.637 2.436 390 HG21 ILE 56 1HG2 ILE 56 -1.044 -0.115 2.184 391 HG22 ILE 56 2HG2 ILE 56 -1.292 -0.822 3.779 392 HG23 ILE 56 3HG2 ILE 56 -2.406 -1.199 2.465 393 HD11 ILE 56 1HD1 ILE 56 -0.555 2.151 3.457 394 HD12 ILE 56 2HD1 ILE 56 -0.520 2.836 1.832 395 HD13 ILE 56 3HD1 ILE 56 -1.379 3.674 3.125 396 H ASP 57 H ASP 57 -4.428 -2.016 2.462 397 HA ASP 57 HA ASP 57 -5.129 -3.980 3.437 398 HB2 ASP 57 1HB ASP 57 -2.824 -3.076 5.166 399 HB3 ASP 57 2HB ASP 57 -3.547 -4.678 5.293 400 H GLY 58 H GLY 58 -6.566 -1.592 4.379 401 HA2 GLY 58 1HA GLY 58 -8.413 -1.487 5.818 402 HA3 GLY 58 2HA GLY 58 -7.732 -2.811 6.753 403 H PHE 59 H PHE 59 -6.024 0.132 5.853 404 HA PHE 59 HA PHE 59 -6.273 1.156 8.578 405 HB2 PHE 59 1HB PHE 59 -3.750 0.208 7.288 406 HB3 PHE 59 2HB PHE 59 -3.677 1.608 8.354 407 HD1 PHE 59 2HD PHE 59 -4.230 1.389 10.730 408 HD2 PHE 59 1HD PHE 59 -4.127 -1.988 8.141 409 HE1 PHE 59 2HE PHE 59 -4.151 -0.102 12.685 410 HE2 PHE 59 1HE PHE 59 -4.048 -3.485 10.092 411 HZ PHE 59 HZ PHE 59 -4.059 -2.543 12.368 412 H GLY 60 H GLY 60 -7.188 3.072 8.137 413 HA2 GLY 60 1HA GLY 60 -6.918 4.580 5.818 414 HA3 GLY 60 2HA GLY 60 -7.399 5.228 7.379 415 H THR 61 H THR 61 -5.607 6.208 5.137 416 HA THR 61 HA THR 61 -3.027 6.415 6.465 417 HB THR 61 HB THR 61 -2.216 7.469 4.482 418 HG1 THR 61 1HG THR 61 -3.487 8.571 3.182 419 HG21 THR 61 1HG2 THR 61 -3.575 4.963 4.410 420 HG22 THR 61 2HG2 THR 61 -2.156 5.473 3.496 421 HG23 THR 61 3HG2 THR 61 -3.772 5.753 2.847 422 H GLU 62 H GLU 62 -5.061 7.580 7.952 423 HA GLU 62 HA GLU 62 -5.275 10.381 7.469 424 HB2 GLU 62 1HB GLU 62 -6.326 10.493 9.655 425 HB3 GLU 62 2HB GLU 62 -6.955 9.118 8.758 426 HG2 GLU 62 1HG GLU 62 -5.619 7.594 10.033 427 HG3 GLU 62 2HG GLU 62 -4.786 8.926 10.833 428 H SER 63 H SER 63 -3.074 8.351 9.270 429 HA SER 63 HA SER 63 -1.430 10.719 9.828 430 HB2 SER 63 1HB SER 63 -2.711 9.953 11.881 431 HB3 SER 63 2HB SER 63 -1.766 8.466 11.814 432 HG SER 63 HG SER 63 -1.027 10.453 13.116 433 H MET 64 H MET 64 -1.368 8.554 7.798 434 HA MET 64 HA MET 64 1.184 7.273 8.505 435 HB2 MET 64 1HB MET 64 -0.183 5.519 7.906 436 HB3 MET 64 2HB MET 64 -1.093 6.481 6.749 437 HG2 MET 64 1HG MET 64 0.390 6.118 5.062 438 HG3 MET 64 2HG MET 64 1.759 5.932 6.156 439 HE1 MET 64 1HE MET 64 -1.393 2.656 6.410 440 HE2 MET 64 2HE MET 64 -1.522 4.343 6.908 441 HE3 MET 64 3HE MET 64 -1.714 3.907 5.209 442 H THR 65 H THR 65 2.830 8.499 7.838 443 HA THR 65 HA THR 65 2.681 10.271 5.612 444 HB THR 65 HB THR 65 5.000 10.759 6.012 445 HG1 THR 65 1HG THR 65 5.752 8.611 6.304 446 HG21 THR 65 1HG2 THR 65 3.046 11.132 7.865 447 HG22 THR 65 2HG2 THR 65 4.675 11.795 7.990 448 HG23 THR 65 3HG2 THR 65 4.267 10.295 8.822 449 H HIS 66 H HIS 66 4.289 10.193 3.803 450 HA HIS 66 HA HIS 66 3.883 8.142 2.079 451 HB2 HIS 66 1HB HIS 66 5.235 10.414 1.861 452 HB3 HIS 66 2HB HIS 66 6.616 9.341 2.066 453 HD1 HIS 66 1HD HIS 66 3.461 8.684 0.061 454 HD2 HIS 66 2HD HIS 66 7.553 9.160 -0.480 455 HE1 HIS 66 1HE HIS 66 3.883 8.172 -2.365 456 HE2 HIS 66 2HE HIS 66 6.377 8.383 -2.649 457 H ALA 67 H ALA 67 6.810 8.439 4.099 458 HA ALA 67 HA ALA 67 8.003 6.035 3.466 459 HB1 ALA 67 1HB ALA 67 8.938 7.895 4.889 460 HB2 ALA 67 2HB ALA 67 8.031 7.207 6.237 461 HB3 ALA 67 3HB ALA 67 9.287 6.257 5.442 462 H ASP 68 H ASP 68 5.616 6.675 6.020 463 HA ASP 68 HA ASP 68 5.524 4.157 7.175 464 HB2 ASP 68 1HB ASP 68 3.598 6.416 6.930 465 HB3 ASP 68 2HB ASP 68 2.973 4.865 7.485 466 H ALA 69 H ALA 69 3.716 5.394 4.386 467 HA ALA 69 HA ALA 69 2.124 3.133 3.937 468 HB1 ALA 69 1HB ALA 69 3.158 5.132 1.928 469 HB2 ALA 69 2HB ALA 69 1.821 4.009 1.674 470 HB3 ALA 69 3HB ALA 69 1.683 5.286 2.883 471 H GLN 70 H GLN 70 5.321 3.999 2.662 472 HA GLN 70 HA GLN 70 5.650 1.865 0.903 473 HB2 GLN 70 1HB GLN 70 7.938 2.968 2.505 474 HB3 GLN 70 2HB GLN 70 7.926 2.423 0.834 475 HG2 GLN 70 1HG GLN 70 6.220 4.436 0.586 476 HG3 GLN 70 2HG GLN 70 7.109 5.022 1.991 477 HE21 GLN 70 1HE2 GLN 70 7.009 6.096 -0.706 478 HE22 GLN 70 2HE2 GLN 70 8.638 6.118 -1.281 479 H ASP 71 H ASP 71 6.032 2.037 4.375 480 HA ASP 71 HA ASP 71 7.225 -0.603 4.530 481 HB2 ASP 71 1HB ASP 71 6.627 1.589 6.456 482 HB3 ASP 71 2HB ASP 71 6.720 -0.051 7.093 483 H ARG 72 H ARG 72 4.124 0.680 4.308 484 HA ARG 72 HA ARG 72 2.874 -1.517 5.777 485 HB2 ARG 72 1HB ARG 72 1.970 1.127 4.759 486 HB3 ARG 72 2HB ARG 72 0.769 -0.155 4.849 487 HG2 ARG 72 1HG ARG 72 2.474 0.326 7.230 488 HG3 ARG 72 2HG ARG 72 1.205 1.494 6.859 489 HD2 ARG 72 1HD ARG 72 -0.447 -0.313 6.839 490 HD3 ARG 72 2HD ARG 72 0.825 -1.477 7.212 491 HE ARG 72 HE ARG 72 -0.445 0.361 9.038 492 HH11 ARG 72 2HH1 ARG 72 2.321 -1.663 8.424 493 HH12 ARG 72 1HH1 ARG 72 2.743 -1.817 10.098 494 HH21 ARG 72 2HH2 ARG 72 0.100 0.165 11.244 495 HH22 ARG 72 1HH2 ARG 72 1.478 -0.778 11.701 496 H ILE 73 H ILE 73 3.532 -0.438 2.551 497 HA ILE 73 HA ILE 73 1.637 -2.249 1.323 498 HB ILE 73 HB ILE 73 3.791 -0.521 0.102 499 HG12 ILE 73 1HG1 ILE 73 0.854 -0.091 -0.253 500 HG13 ILE 73 2HG1 ILE 73 1.606 0.420 1.254 501 HG21 ILE 73 1HG2 ILE 73 2.973 -1.083 -2.034 502 HG22 ILE 73 2HG2 ILE 73 3.150 -2.614 -1.178 503 HG23 ILE 73 3HG2 ILE 73 1.553 -1.888 -1.365 504 HD11 ILE 73 1HD1 ILE 73 2.751 2.108 0.268 505 HD12 ILE 73 2HD1 ILE 73 2.903 1.258 -1.270 506 HD13 ILE 73 3HD1 ILE 73 1.376 2.025 -0.833 507 H LYS 74 H LYS 74 5.152 -2.000 1.697 508 HA LYS 74 HA LYS 74 5.758 -4.351 0.228 509 HB2 LYS 74 1HB LYS 74 7.986 -4.085 1.000 510 HB3 LYS 74 2HB LYS 74 7.348 -2.460 0.779 511 HG2 LYS 74 1HG LYS 74 6.860 -2.411 3.232 512 HG3 LYS 74 2HG LYS 74 7.734 -3.939 3.370 513 HD2 LYS 74 1HD LYS 74 9.045 -1.630 2.008 514 HD3 LYS 74 2HD LYS 74 8.958 -1.651 3.771 515 HE2 LYS 74 1HE LYS 74 10.960 -2.718 3.434 516 HE3 LYS 74 2HE LYS 74 9.861 -4.096 3.471 517 HZ1 LYS 74 1HZ LYS 74 9.822 -3.460 0.876 518 HZ2 LYS 74 2HZ LYS 74 10.869 -4.605 1.550 519 HZ3 LYS 74 3HZ LYS 74 11.409 -3.026 1.271 520 H ALA 75 H ALA 75 4.995 -3.714 3.589 521 HA ALA 75 HA ALA 75 5.545 -6.487 4.324 522 HB1 ALA 75 1HB ALA 75 6.258 -4.578 5.784 523 HB2 ALA 75 2HB ALA 75 4.551 -4.278 6.112 524 HB3 ALA 75 3HB ALA 75 5.285 -5.808 6.590 525 H ALA 76 H ALA 76 3.214 -5.360 2.633 526 HA ALA 76 HA ALA 76 0.809 -5.685 4.017 527 HB1 ALA 76 1HB ALA 76 1.428 -6.163 1.105 528 HB2 ALA 76 2HB ALA 76 -0.197 -6.073 1.788 529 HB3 ALA 76 3HB ALA 76 0.860 -4.662 1.838 530 H SER 77 H SER 77 -0.793 -7.515 3.183 531 HA SER 77 HA SER 77 0.494 -10.052 3.912 532 HB2 SER 77 1HB SER 77 -2.413 -9.215 4.037 533 HB3 SER 77 2HB SER 77 -1.805 -10.808 4.486 534 HG SER 77 HG SER 77 -0.589 -8.602 5.671 535 H TYR 78 H TYR 78 -0.908 -11.991 2.988 536 HA TYR 78 HA TYR 78 -0.303 -12.337 0.353 537 HB2 TYR 78 1HB TYR 78 -2.247 -14.032 0.361 538 HB3 TYR 78 2HB TYR 78 -0.942 -14.268 1.517 539 HD1 TYR 78 1HD TYR 78 -1.293 -13.674 3.909 540 HD2 TYR 78 2HD TYR 78 -4.474 -13.602 1.084 541 HE1 TYR 78 1HE TYR 78 -2.923 -13.690 5.752 542 HE2 TYR 78 2HE TYR 78 -6.112 -13.616 2.919 543 HH TYR 78 HH TYR 78 -5.128 -14.049 6.256 544 H GLN 79 H GLN 79 -2.961 -10.562 1.680 545 HA GLN 79 HA GLN 79 -3.849 -9.922 -1.049 546 HB2 GLN 79 1HB GLN 79 -6.184 -9.706 -0.056 547 HB3 GLN 79 2HB GLN 79 -5.568 -11.339 -0.271 548 HG2 GLN 79 1HG GLN 79 -6.399 -11.539 1.825 549 HG3 GLN 79 2HG GLN 79 -4.775 -10.981 2.223 550 HE21 GLN 79 1HE2 GLN 79 -8.052 -9.811 1.595 551 HE22 GLN 79 2HE2 GLN 79 -7.978 -8.482 2.696 552 H LEU 80 H LEU 80 -3.813 -7.818 -1.474 553 HA LEU 80 HA LEU 80 -3.526 -5.945 0.763 554 HB2 LEU 80 1HB LEU 80 -1.755 -5.825 -0.843 555 HB3 LEU 80 2HB LEU 80 -2.904 -5.699 -2.173 556 HG LEU 80 HG LEU 80 -3.589 -3.477 -1.305 557 HD11 LEU 80 1HD1 LEU 80 -1.685 -4.240 0.816 558 HD12 LEU 80 2HD1 LEU 80 -3.123 -3.222 0.889 559 HD13 LEU 80 3HD1 LEU 80 -1.611 -2.567 0.259 560 HD21 LEU 80 1HD2 LEU 80 -2.156 -3.024 -2.973 561 HD22 LEU 80 2HD2 LEU 80 -0.952 -4.172 -2.389 562 HD23 LEU 80 3HD2 LEU 80 -1.058 -2.563 -1.672 563 H CYS 81 H CYS 81 -5.138 -4.640 1.318 564 HA CYS 81 HA CYS 81 -7.369 -4.300 -0.573 565 HB2 CYS 81 1HB CYS 81 -7.247 -4.595 2.393 566 HB3 CYS 81 2HB CYS 81 -8.526 -3.596 1.713 567 HG CYS 81 HG CYS 81 -8.908 -6.579 2.313 568 H LEU 82 H LEU 82 -6.429 -2.507 -1.621 569 HA LEU 82 HA LEU 82 -5.926 -0.120 -0.014 570 HB2 LEU 82 1HB LEU 82 -5.394 -0.849 -2.876 571 HB3 LEU 82 2HB LEU 82 -5.266 0.814 -2.307 572 HG LEU 82 HG LEU 82 -3.670 -1.481 -1.177 573 HD11 LEU 82 1HD1 LEU 82 -3.332 -0.718 -3.676 574 HD12 LEU 82 2HD1 LEU 82 -1.957 -1.051 -2.623 575 HD13 LEU 82 3HD1 LEU 82 -2.465 0.613 -2.909 576 HD21 LEU 82 1HD2 LEU 82 -2.696 0.003 0.211 577 HD22 LEU 82 2HD2 LEU 82 -4.199 0.897 -0.021 578 HD23 LEU 82 3HD2 LEU 82 -2.769 1.315 -0.966 579 H LYS 83 H LYS 83 -7.506 1.277 0.336 580 HA LYS 83 HA LYS 83 -9.889 1.235 -1.332 581 HB2 LYS 83 1HB LYS 83 -9.893 1.315 1.227 582 HB3 LYS 83 2HB LYS 83 -9.409 2.998 1.064 583 HG2 LYS 83 1HG LYS 83 -11.434 3.595 0.039 584 HG3 LYS 83 2HG LYS 83 -11.864 1.913 -0.277 585 HD2 LYS 83 1HD LYS 83 -13.195 2.638 1.556 586 HD3 LYS 83 2HD LYS 83 -11.948 1.575 2.214 587 HE2 LYS 83 1HE LYS 83 -10.611 3.665 2.704 588 HE3 LYS 83 2HE LYS 83 -12.065 4.582 2.312 589 HZ1 LYS 83 1HZ LYS 83 -11.532 2.834 4.605 590 HZ2 LYS 83 2HZ LYS 83 -13.122 2.961 4.045 591 HZ3 LYS 83 3HZ LYS 83 -12.293 4.344 4.557 592 H ILE 84 H ILE 84 -10.705 3.017 -2.443 593 HA ILE 84 HA ILE 84 -9.011 5.394 -2.638 594 HB ILE 84 HB ILE 84 -9.377 5.314 -5.175 595 HG12 ILE 84 1HG1 ILE 84 -9.279 2.712 -5.800 596 HG13 ILE 84 2HG1 ILE 84 -10.254 2.596 -4.340 597 HG21 ILE 84 1HG2 ILE 84 -7.436 3.780 -3.549 598 HG22 ILE 84 2HG2 ILE 84 -7.442 3.484 -5.286 599 HG23 ILE 84 3HG2 ILE 84 -7.173 5.114 -4.671 600 HD11 ILE 84 1HD1 ILE 84 -11.614 2.741 -6.367 601 HD12 ILE 84 2HD1 ILE 84 -11.890 4.107 -5.284 602 HD13 ILE 84 3HD1 ILE 84 -10.897 4.312 -6.726 603 H ASP 85 H ASP 85 -10.081 7.260 -3.346 604 HA ASP 85 HA ASP 85 -12.972 7.159 -2.993 605 HB2 ASP 85 1HB ASP 85 -11.320 8.861 -1.898 606 HB3 ASP 85 2HB ASP 85 -11.421 9.686 -3.452 607 H ARG 86 H ARG 86 -12.105 5.991 -5.368 608 HA ARG 86 HA ARG 86 -12.242 6.095 -7.657 609 HB2 ARG 86 1HB ARG 86 -14.665 6.291 -6.577 610 HB3 ARG 86 2HB ARG 86 -14.627 7.858 -7.373 611 HG2 ARG 86 1HG ARG 86 -14.018 5.311 -8.836 612 HG3 ARG 86 2HG ARG 86 -15.660 5.931 -8.656 613 HD2 ARG 86 1HD ARG 86 -15.030 6.826 -10.689 614 HD3 ARG 86 2HD ARG 86 -14.645 8.138 -9.577 615 HE ARG 86 HE ARG 86 -12.409 7.824 -10.015 616 HH11 ARG 86 2HH1 ARG 86 -14.249 5.171 -11.317 617 HH12 ARG 86 1HH1 ARG 86 -12.917 4.514 -12.209 618 HH21 ARG 86 2HH2 ARG 86 -10.647 6.969 -11.185 619 HH22 ARG 86 1HH2 ARG 86 -10.868 5.537 -12.132 620 H ALA 87 H ALA 87 -10.505 8.070 -6.657 621 HA ALA 87 HA ALA 87 -11.009 10.656 -7.637 622 HB1 ALA 87 1HB ALA 87 -9.278 10.539 -6.100 623 HB2 ALA 87 2HB ALA 87 -8.516 9.168 -6.908 624 HB3 ALA 87 3HB ALA 87 -8.426 10.777 -7.626 625 H GLU 88 H GLU 88 -11.612 10.936 -9.707 626 HA GLU 88 HA GLU 88 -10.125 9.553 -11.821 627 HB2 GLU 88 1HB GLU 88 -11.961 10.401 -13.304 628 HB3 GLU 88 2HB GLU 88 -12.493 9.304 -12.037 629 HG2 GLU 88 1HG GLU 88 -13.381 11.093 -10.749 630 HG3 GLU 88 2HG GLU 88 -12.644 12.296 -11.805 631 H THR 89 H THR 89 -11.078 12.784 -10.753 632 HA THR 89 HA THR 89 -8.908 13.887 -12.404 633 HB THR 89 HB THR 89 -11.516 15.349 -12.016 634 HG1 THR 89 1HG THR 89 -12.128 14.588 -14.040 635 HG21 THR 89 1HG2 THR 89 -9.001 16.114 -12.984 636 HG22 THR 89 2HG2 THR 89 -10.514 17.012 -13.115 637 HG23 THR 89 3HG2 THR 89 -10.019 15.924 -14.411 638 H ARG 90 H ARG 90 -9.840 13.331 -9.398 639 HA ARG 90 HA ARG 90 -9.934 15.621 -7.926 640 HB2 ARG 90 1HB ARG 90 -8.662 12.959 -7.416 641 HB3 ARG 90 2HB ARG 90 -8.445 14.255 -6.248 642 HG2 ARG 90 1HG ARG 90 -10.365 12.605 -5.885 643 HG3 ARG 90 2HG ARG 90 -10.708 14.328 -5.721 644 HD2 ARG 90 1HD ARG 90 -11.546 14.345 -8.045 645 HD3 ARG 90 2HD ARG 90 -11.274 12.605 -8.131 646 HE ARG 90 HE ARG 90 -13.199 12.284 -6.940 647 HH11 ARG 90 2HH1 ARG 90 -12.202 15.603 -6.612 648 HH12 ARG 90 1HH1 ARG 90 -13.646 16.093 -5.790 649 HH21 ARG 90 2HH2 ARG 90 -15.105 12.916 -5.858 650 HH22 ARG 90 1HH2 ARG 90 -15.297 14.563 -5.361 651 H LEU 91 H LEU 91 -8.775 17.387 -8.472 652 HA LEU 91 HA LEU 91 -6.072 17.329 -9.325 653 HB2 LEU 91 1HB LEU 91 -7.696 19.123 -9.867 654 HB3 LEU 91 2HB LEU 91 -7.627 19.647 -8.186 655 HG LEU 91 HG LEU 91 -5.089 19.533 -9.741 656 HD11 LEU 91 1HD1 LEU 91 -6.998 20.685 -11.076 657 HD12 LEU 91 2HD1 LEU 91 -5.439 21.491 -10.907 658 HD13 LEU 91 3HD1 LEU 91 -6.798 21.978 -9.894 659 HD21 LEU 91 1HD2 LEU 91 -4.718 20.157 -7.548 660 HD22 LEU 91 2HD2 LEU 91 -6.226 21.065 -7.438 661 HD23 LEU 91 3HD2 LEU 91 -4.866 21.719 -8.353 662 H TRP 92 H TRP 92 -7.626 17.758 -6.209 663 HA TRP 92 HA TRP 92 -4.965 17.696 -4.952 664 HB2 TRP 92 1HB TRP 92 -5.922 19.133 -3.129 665 HB3 TRP 92 2HB TRP 92 -5.762 19.944 -4.685 666 HD1 TRP 92 HD TRP 92 -8.619 17.880 -3.025 667 HE1 TRP 92 1HE TRP 92 -10.817 19.177 -3.363 668 HE3 TRP 92 3HE TRP 92 -6.796 21.916 -5.579 669 HZ2 TRP 92 2HZ TRP 92 -11.665 21.591 -4.556 670 HZ3 TRP 92 3HZ TRP 92 -8.366 23.674 -6.283 671 HH2 TRP 92 HH TRP 92 -10.750 23.513 -5.781 672 H SER 93 H SER 93 -5.531 17.386 -2.376 673 HA SER 93 HA SER 93 -6.333 14.692 -2.178 674 HB2 SER 93 1HB SER 93 -6.110 14.997 0.245 675 HB3 SER 93 2HB SER 93 -4.757 15.747 -0.601 676 HG SER 93 HG SER 93 -6.274 16.895 1.140 677 HA PRO 94 HA PRO 94 -10.739 15.540 -2.200 678 HB2 PRO 94 1HB PRO 94 -11.478 12.930 -2.299 679 HB3 PRO 94 2HB PRO 94 -10.927 13.827 -3.719 680 HG2 PRO 94 1HG PRO 94 -9.408 11.933 -1.967 681 HG3 PRO 94 2HG PRO 94 -9.407 12.067 -3.735 682 HD2 PRO 94 1HD PRO 94 -7.440 13.109 -2.194 683 HD3 PRO 94 2HD PRO 94 -7.948 13.851 -3.724 684 H GLN 95 H GLN 95 -12.547 13.966 -0.992 685 HA GLN 95 HA GLN 95 -11.687 13.921 1.826 686 HB2 GLN 95 1HB GLN 95 -14.326 14.697 0.595 687 HB3 GLN 95 2HB GLN 95 -14.158 14.327 2.306 688 HG2 GLN 95 1HG GLN 95 -13.918 16.582 2.374 689 HG3 GLN 95 2HG GLN 95 -12.233 16.114 2.157 690 HE21 GLN 95 1HE2 GLN 95 -14.877 17.824 0.882 691 HE22 GLN 95 2HE2 GLN 95 -14.136 18.347 -0.588 692 H VAL 96 H VAL 96 -11.845 12.049 2.876 693 HA VAL 96 HA VAL 96 -12.153 9.601 1.879 694 HB VAL 96 HB VAL 96 -11.630 9.977 4.233 695 HG11 VAL 96 1HG1 VAL 96 -14.577 10.468 4.639 696 HG12 VAL 96 2HG1 VAL 96 -13.312 10.495 5.870 697 HG13 VAL 96 3HG1 VAL 96 -13.347 11.732 4.613 698 HG21 VAL 96 1HG2 VAL 96 -12.401 7.753 3.459 699 HG22 VAL 96 2HG2 VAL 96 -12.759 8.058 5.159 700 HG23 VAL 96 3HG2 VAL 96 -14.039 8.183 3.952 701 H SER 97 H SER 97 -13.638 8.501 0.794 702 HA SER 97 HA SER 97 -16.184 9.514 0.197 703 HB2 SER 97 1HB SER 97 -14.772 6.931 -0.249 704 HB3 SER 97 2HB SER 97 -16.524 6.941 -0.442 705 HG SER 97 HG SER 97 -16.352 8.342 -2.091 706 H SER 98 H SER 98 -15.245 6.829 2.339 707 HA SER 98 HA SER 98 -17.884 7.056 3.630 708 HB2 SER 98 1HB SER 98 -16.059 4.667 3.314 709 HB3 SER 98 2HB SER 98 -17.460 4.680 4.384 710 HG SER 98 HG SER 98 -17.599 3.931 2.014 711 H GLY 99 H GLY 99 -17.240 8.662 5.096 712 HA2 GLY 99 1HA GLY 99 -15.108 7.924 6.985 713 HA3 GLY 99 2HA GLY 99 -15.749 9.544 6.752 714 HA PRO 100 HA PRO 100 -18.129 6.880 10.037 715 HB2 PRO 100 1HB PRO 100 -16.453 6.824 12.172 716 HB3 PRO 100 2HB PRO 100 -16.502 5.542 10.956 717 HG2 PRO 100 1HG PRO 100 -14.588 7.828 11.222 718 HG3 PRO 100 2HG PRO 100 -14.256 6.130 10.835 719 HD2 PRO 100 1HD PRO 100 -14.360 8.063 8.941 720 HD3 PRO 100 2HD PRO 100 -14.853 6.387 8.623 721 H SER 101 H SER 101 -15.738 9.388 10.889 722 HA SER 101 HA SER 101 -17.834 10.790 12.397 723 HB2 SER 101 1HB SER 101 -15.462 10.137 13.353 724 HB3 SER 101 2HB SER 101 -14.956 11.602 12.511 725 HG SER 101 HG SER 101 -15.770 11.697 14.825 726 H SER 102 H SER 102 -18.860 11.757 10.621 727 HA SER 102 HA SER 102 -17.305 13.511 8.897 728 HB2 SER 102 1HB SER 102 -19.289 13.739 7.582 729 HB3 SER 102 2HB SER 102 -19.181 12.040 8.040 730 HG SER 102 HG SER 102 -21.120 13.832 8.587 731 H GLY 103 H GLY 103 -17.235 14.303 11.559 732 HA2 GLY 103 1HA GLY 103 -18.596 16.894 11.353 733 HA3 GLY 103 2HA GLY 103 -18.845 15.936 12.804 Start of MODEL 14 1 H1 GLY 1 H GLY 1 -28.302 10.441 -7.867 2 HA2 GLY 1 1HA GLY 1 -26.760 10.921 -6.196 3 HA3 GLY 1 2HA GLY 1 -28.050 10.796 -5.009 4 H SER 2 H SER 2 -25.346 9.705 -4.909 5 HA SER 2 HA SER 2 -25.966 6.825 -4.853 6 HB2 SER 2 1HB SER 2 -23.484 6.493 -4.925 7 HB3 SER 2 2HB SER 2 -24.134 7.281 -6.363 8 HG SER 2 HG SER 2 -22.815 8.522 -4.179 9 H SER 3 H SER 3 -25.379 5.605 -3.044 10 HA SER 3 HA SER 3 -24.771 7.186 -0.631 11 HB2 SER 3 1HB SER 3 -26.100 5.486 0.629 12 HB3 SER 3 2HB SER 3 -27.062 6.404 -0.529 13 HG SER 3 HG SER 3 -25.963 4.132 -1.587 14 H GLY 4 H GLY 4 -22.572 6.828 -0.601 15 HA2 GLY 4 1HA GLY 4 -20.788 5.635 0.332 16 HA3 GLY 4 2HA GLY 4 -21.771 4.179 0.291 17 H SER 5 H SER 5 -19.594 6.231 -1.492 18 HA SER 5 HA SER 5 -19.525 4.256 -3.673 19 HB2 SER 5 1HB SER 5 -20.007 6.709 -4.191 20 HB3 SER 5 2HB SER 5 -18.329 7.028 -3.754 21 HG SER 5 HG SER 5 -18.423 6.684 -5.956 22 H SER 6 H SER 6 -18.285 3.344 -1.504 23 HA SER 6 HA SER 6 -15.524 4.109 -1.372 24 HB2 SER 6 1HB SER 6 -16.435 3.265 0.647 25 HB3 SER 6 2HB SER 6 -17.118 1.853 -0.159 26 HG SER 6 HG SER 6 -15.294 1.133 0.814 27 H GLY 7 H GLY 7 -14.203 3.687 -3.021 28 HA2 GLY 7 1HA GLY 7 -14.639 1.515 -4.840 29 HA3 GLY 7 2HA GLY 7 -13.265 2.611 -4.835 30 H ASN 8 H ASN 8 -14.551 -0.396 -3.624 31 HA ASN 8 HA ASN 8 -12.298 -1.045 -1.992 32 HB2 ASN 8 1HB ASN 8 -13.296 -3.297 -1.894 33 HB3 ASN 8 2HB ASN 8 -14.488 -2.043 -1.563 34 HD21 ASN 8 1HD2 ASN 8 -13.452 -4.511 -3.746 35 HD22 ASN 8 2HD2 ASN 8 -14.852 -4.497 -4.759 36 H VAL 9 H VAL 9 -10.393 -1.851 -2.580 37 HA VAL 9 HA VAL 9 -10.161 -3.270 -5.138 38 HB VAL 9 HB VAL 9 -8.315 -1.051 -4.245 39 HG11 VAL 9 1HG1 VAL 9 -7.517 -3.248 -5.566 40 HG12 VAL 9 2HG1 VAL 9 -8.053 -2.260 -6.925 41 HG13 VAL 9 3HG1 VAL 9 -6.815 -1.652 -5.825 42 HG21 VAL 9 1HG2 VAL 9 -10.704 -0.789 -5.515 43 HG22 VAL 9 2HG2 VAL 9 -9.356 0.337 -5.673 44 HG23 VAL 9 3HG2 VAL 9 -9.597 -0.925 -6.881 45 H VAL 10 H VAL 10 -9.617 -5.252 -4.459 46 HA VAL 10 HA VAL 10 -7.475 -5.494 -2.449 47 HB VAL 10 HB VAL 10 -9.324 -7.748 -3.150 48 HG11 VAL 10 1HG1 VAL 10 -8.821 -8.399 -0.811 49 HG12 VAL 10 2HG1 VAL 10 -7.386 -8.309 -1.835 50 HG13 VAL 10 3HG1 VAL 10 -7.739 -7.012 -0.693 51 HG21 VAL 10 1HG2 VAL 10 -9.895 -5.419 -1.343 52 HG22 VAL 10 2HG2 VAL 10 -10.914 -6.113 -2.604 53 HG23 VAL 10 3HG2 VAL 10 -10.652 -6.993 -1.098 54 H LEU 11 H LEU 11 -5.645 -5.613 -3.643 55 HA LEU 11 HA LEU 11 -5.505 -7.113 -6.091 56 HB2 LEU 11 1HB LEU 11 -3.137 -6.136 -4.536 57 HB3 LEU 11 2HB LEU 11 -3.302 -6.353 -6.277 58 HG LEU 11 HG LEU 11 -4.824 -4.247 -4.759 59 HD11 LEU 11 1HD1 LEU 11 -2.530 -3.361 -6.331 60 HD12 LEU 11 2HD1 LEU 11 -2.094 -4.302 -4.905 61 HD13 LEU 11 3HD1 LEU 11 -3.081 -2.851 -4.736 62 HD21 LEU 11 1HD2 LEU 11 -4.025 -4.341 -7.658 63 HD22 LEU 11 2HD2 LEU 11 -5.201 -3.279 -6.883 64 HD23 LEU 11 3HD2 LEU 11 -5.548 -4.999 -7.060 65 HA PRO 12 HA PRO 12 -4.646 -11.026 -4.205 66 HB2 PRO 12 1HB PRO 12 -3.890 -12.324 -6.466 67 HB3 PRO 12 2HB PRO 12 -5.577 -11.954 -6.090 68 HG2 PRO 12 1HG PRO 12 -3.679 -10.509 -7.898 69 HG3 PRO 12 2HG PRO 12 -5.386 -10.912 -8.160 70 HD2 PRO 12 1HD PRO 12 -4.573 -8.447 -7.389 71 HD3 PRO 12 2HD PRO 12 -6.130 -9.138 -6.889 72 H GLY 13 H GLY 13 -2.878 -11.370 -3.018 73 HA2 GLY 13 1HA GLY 13 -0.245 -10.771 -4.191 74 HA3 GLY 13 2HA GLY 13 -0.597 -10.863 -2.471 75 HA PRO 14 HA PRO 14 0.745 -11.462 -1.233 76 HB2 PRO 14 1HB PRO 14 3.314 -12.268 -0.885 77 HB3 PRO 14 2HB PRO 14 1.949 -13.024 -0.054 78 HG2 PRO 14 1HG PRO 14 3.416 -13.932 -2.501 79 HG3 PRO 14 2HG PRO 14 2.861 -14.884 -1.112 80 HD2 PRO 14 1HD PRO 14 1.516 -14.814 -3.461 81 HD3 PRO 14 2HD PRO 14 0.697 -15.001 -1.898 82 H ALA 15 H ALA 15 2.841 -10.038 -1.144 83 HA ALA 15 HA ALA 15 2.963 -8.557 -3.525 84 HB1 ALA 15 1HB ALA 15 4.060 -8.382 -0.871 85 HB2 ALA 15 2HB ALA 15 5.267 -7.927 -2.075 86 HB3 ALA 15 3HB ALA 15 3.711 -7.097 -2.028 87 HA PRO 16 HA PRO 16 5.016 -6.978 -3.838 88 HB2 PRO 16 1HB PRO 16 5.681 -6.284 -6.377 89 HB3 PRO 16 2HB PRO 16 6.883 -6.558 -5.110 90 HG2 PRO 16 1HG PRO 16 5.975 -8.400 -7.288 91 HG3 PRO 16 2HG PRO 16 7.618 -8.085 -6.702 92 HD2 PRO 16 1HD PRO 16 6.204 -10.273 -5.966 93 HD3 PRO 16 2HD PRO 16 7.376 -9.487 -4.890 94 H TRP 17 H TRP 17 3.803 -5.386 -5.385 95 HA TRP 17 HA TRP 17 1.370 -6.771 -6.290 96 HB2 TRP 17 1HB TRP 17 1.663 -3.863 -5.512 97 HB3 TRP 17 2HB TRP 17 0.163 -4.726 -5.837 98 HD1 TRP 17 HD TRP 17 2.260 -3.648 -3.037 99 HE1 TRP 17 1HE TRP 17 1.606 -4.869 -0.868 100 HE3 TRP 17 3HE TRP 17 -0.631 -7.361 -5.036 101 HZ2 TRP 17 2HZ TRP 17 0.068 -7.110 -0.105 102 HZ3 TRP 17 3HZ TRP 17 -1.657 -9.003 -3.517 103 HH2 TRP 17 HH TRP 17 -1.313 -8.879 -1.103 104 H GLY 18 H GLY 18 3.214 -3.802 -7.044 105 HA2 GLY 18 1HA GLY 18 4.138 -3.614 -9.322 106 HA3 GLY 18 2HA GLY 18 2.637 -4.325 -9.895 107 H PHE 19 H PHE 19 2.674 -1.949 -7.345 108 HA PHE 19 HA PHE 19 1.824 0.134 -9.227 109 HB2 PHE 19 1HB PHE 19 -0.180 0.579 -8.157 110 HB3 PHE 19 2HB PHE 19 -0.103 -1.174 -8.018 111 HD1 PHE 19 2HD PHE 19 0.625 -2.199 -5.863 112 HD2 PHE 19 1HD PHE 19 -0.192 1.961 -6.252 113 HE1 PHE 19 2HE PHE 19 0.418 -2.014 -3.419 114 HE2 PHE 19 1HE PHE 19 -0.400 2.152 -3.808 115 HZ PHE 19 HZ PHE 19 -0.096 0.163 -2.388 116 H ARG 20 H ARG 20 2.386 2.201 -8.666 117 HA ARG 20 HA ARG 20 4.195 2.437 -6.372 118 HB2 ARG 20 1HB ARG 20 3.821 4.373 -8.661 119 HB3 ARG 20 2HB ARG 20 5.112 4.381 -7.466 120 HG2 ARG 20 1HG ARG 20 4.648 2.328 -9.617 121 HG3 ARG 20 2HG ARG 20 5.957 3.509 -9.530 122 HD2 ARG 20 1HD ARG 20 5.489 1.366 -7.465 123 HD3 ARG 20 2HD ARG 20 6.578 1.180 -8.839 124 HE ARG 20 HE ARG 20 7.386 3.488 -7.615 125 HH11 ARG 20 2HH1 ARG 20 6.959 0.177 -6.627 126 HH12 ARG 20 1HH1 ARG 20 8.212 0.235 -5.432 127 HH21 ARG 20 2HH2 ARG 20 9.038 3.577 -6.044 128 HH22 ARG 20 1HH2 ARG 20 9.393 2.169 -5.100 129 H LEU 21 H LEU 21 4.216 4.788 -5.456 130 HA LEU 21 HA LEU 21 1.453 5.728 -5.094 131 HB2 LEU 21 1HB LEU 21 2.354 6.256 -2.677 132 HB3 LEU 21 2HB LEU 21 1.654 4.690 -3.082 133 HG LEU 21 HG LEU 21 3.870 3.720 -3.279 134 HD11 LEU 21 1HD1 LEU 21 5.745 5.312 -2.319 135 HD12 LEU 21 2HD1 LEU 21 4.711 6.557 -3.021 136 HD13 LEU 21 3HD1 LEU 21 5.358 5.271 -4.039 137 HD21 LEU 21 1HD2 LEU 21 4.198 5.122 -0.718 138 HD22 LEU 21 2HD2 LEU 21 4.078 3.397 -1.064 139 HD23 LEU 21 3HD2 LEU 21 2.617 4.383 -0.970 140 H SER 22 H SER 22 1.294 7.946 -4.303 141 HA SER 22 HA SER 22 3.685 9.587 -4.644 142 HB2 SER 22 1HB SER 22 2.062 9.282 -6.791 143 HB3 SER 22 2HB SER 22 1.281 10.653 -6.003 144 HG SER 22 HG SER 22 3.691 11.358 -5.892 145 H GLY 23 H GLY 23 3.662 11.491 -3.490 146 HA2 GLY 23 1HA GLY 23 2.682 13.217 -2.216 147 HA3 GLY 23 2HA GLY 23 1.193 12.287 -2.141 148 H GLY 24 H GLY 24 1.028 12.590 0.104 149 HA2 GLY 24 1HA GLY 24 1.583 10.698 1.841 150 HA3 GLY 24 2HA GLY 24 3.162 11.466 1.765 151 H ILE 25 H ILE 25 0.741 11.227 3.754 152 HA ILE 25 HA ILE 25 -0.330 13.681 4.344 153 HB ILE 25 HB ILE 25 -0.402 12.960 6.718 154 HG12 ILE 25 1HG1 ILE 25 0.828 10.349 5.955 155 HG13 ILE 25 2HG1 ILE 25 1.898 11.696 6.328 156 HG21 ILE 25 1HG2 ILE 25 -1.146 10.487 5.321 157 HG22 ILE 25 2HG2 ILE 25 -2.129 11.589 6.285 158 HG23 ILE 25 3HG2 ILE 25 -1.772 11.970 4.601 159 HD11 ILE 25 1HD1 ILE 25 -0.164 11.437 8.319 160 HD12 ILE 25 2HD1 ILE 25 0.733 9.931 8.121 161 HD13 ILE 25 3HD1 ILE 25 1.589 11.424 8.501 162 H ASP 26 H ASP 26 2.955 12.745 4.526 163 HA ASP 26 HA ASP 26 3.736 14.770 6.429 164 HB2 ASP 26 1HB ASP 26 5.123 12.878 6.490 165 HB3 ASP 26 2HB ASP 26 5.229 12.786 4.734 166 H PHE 27 H PHE 27 3.616 14.391 2.951 167 HA PHE 27 HA PHE 27 4.943 16.966 2.558 168 HB2 PHE 27 1HB PHE 27 4.027 14.882 0.566 169 HB3 PHE 27 2HB PHE 27 4.853 16.379 0.145 170 HD1 PHE 27 1HD PHE 27 5.213 13.124 1.824 171 HD2 PHE 27 2HD PHE 27 7.203 16.603 0.392 172 HE1 PHE 27 1HE PHE 27 7.383 12.003 2.124 173 HE2 PHE 27 2HE PHE 27 9.375 15.488 0.689 174 HZ PHE 27 HZ PHE 27 9.468 13.184 1.555 175 H ASN 28 H ASN 28 2.091 16.377 3.574 176 HA ASN 28 HA ASN 28 -0.001 17.259 3.376 177 HB2 ASN 28 1HB ASN 28 1.371 19.507 1.895 178 HB3 ASN 28 2HB ASN 28 -0.122 19.592 2.826 179 HD21 ASN 28 1HD2 ASN 28 -0.029 19.972 4.959 180 HD22 ASN 28 2HD2 ASN 28 1.434 20.160 5.858 181 H GLN 29 H GLN 29 0.590 15.376 1.419 182 HA GLN 29 HA GLN 29 -1.110 16.338 -0.765 183 HB2 GLN 29 1HB GLN 29 1.587 15.039 -1.036 184 HB3 GLN 29 2HB GLN 29 0.384 14.906 -2.312 185 HG2 GLN 29 1HG GLN 29 1.144 17.584 -1.231 186 HG3 GLN 29 2HG GLN 29 2.163 16.776 -2.420 187 HE21 GLN 29 1HE2 GLN 29 0.959 15.965 -4.375 188 HE22 GLN 29 2HE2 GLN 29 -0.244 17.013 -5.038 189 HA PRO 30 HA PRO 30 -3.264 12.555 -0.193 190 HB2 PRO 30 1HB PRO 30 -4.266 12.172 -2.687 191 HB3 PRO 30 2HB PRO 30 -4.876 13.414 -1.587 192 HG2 PRO 30 1HG PRO 30 -2.951 13.680 -3.864 193 HG3 PRO 30 2HG PRO 30 -4.303 14.735 -3.413 194 HD2 PRO 30 1HD PRO 30 -1.730 15.320 -2.801 195 HD3 PRO 30 2HD PRO 30 -3.090 15.792 -1.762 196 H LEU 31 H LEU 31 -3.014 10.362 -0.420 197 HA LEU 31 HA LEU 31 -0.584 9.474 -1.717 198 HB2 LEU 31 1HB LEU 31 -2.595 8.192 0.097 199 HB3 LEU 31 2HB LEU 31 -1.386 7.223 -0.743 200 HG LEU 31 HG LEU 31 -0.704 9.500 1.110 201 HD11 LEU 31 1HD1 LEU 31 -1.917 7.225 1.935 202 HD12 LEU 31 2HD1 LEU 31 -0.766 8.148 2.901 203 HD13 LEU 31 3HD1 LEU 31 -0.221 6.741 1.989 204 HD21 LEU 31 1HD2 LEU 31 1.410 9.133 0.535 205 HD22 LEU 31 2HD2 LEU 31 0.812 8.101 -0.765 206 HD23 LEU 31 3HD2 LEU 31 1.242 7.397 0.795 207 H VAL 32 H VAL 32 -0.905 9.488 -3.907 208 HA VAL 32 HA VAL 32 -3.052 7.747 -4.932 209 HB VAL 32 HB VAL 32 -2.861 9.015 -7.063 210 HG11 VAL 32 1HG1 VAL 32 -3.674 11.277 -5.810 211 HG12 VAL 32 2HG1 VAL 32 -4.685 9.850 -6.045 212 HG13 VAL 32 3HG1 VAL 32 -3.844 10.094 -4.513 213 HG21 VAL 32 1HG2 VAL 32 -0.629 10.197 -5.654 214 HG22 VAL 32 2HG2 VAL 32 -1.034 10.252 -7.369 215 HG23 VAL 32 3HG2 VAL 32 -1.740 11.426 -6.258 216 H ILE 33 H ILE 33 -2.440 6.951 -7.250 217 HA ILE 33 HA ILE 33 -0.007 5.423 -6.947 218 HB ILE 33 HB ILE 33 -2.032 5.432 -9.188 219 HG12 ILE 33 1HG1 ILE 33 -1.645 3.509 -6.883 220 HG13 ILE 33 2HG1 ILE 33 -2.942 4.692 -7.017 221 HG21 ILE 33 1HG2 ILE 33 -0.902 3.743 -10.214 222 HG22 ILE 33 2HG2 ILE 33 0.464 4.587 -9.487 223 HG23 ILE 33 3HG2 ILE 33 -0.199 3.150 -8.709 224 HD11 ILE 33 1HD1 ILE 33 -3.035 3.208 -9.379 225 HD12 ILE 33 2HD1 ILE 33 -2.776 2.039 -8.083 226 HD13 ILE 33 3HD1 ILE 33 -4.153 3.140 -8.018 227 H THR 34 H THR 34 1.873 5.696 -8.006 228 HA THR 34 HA THR 34 2.129 8.076 -9.689 229 HB THR 34 HB THR 34 4.678 7.197 -9.420 230 HG1 THR 34 1HG THR 34 4.849 6.487 -7.206 231 HG21 THR 34 1HG2 THR 34 3.911 8.645 -7.033 232 HG22 THR 34 2HG2 THR 34 3.122 9.302 -8.468 233 HG23 THR 34 3HG2 THR 34 4.880 9.177 -8.407 234 H ARG 35 H ARG 35 2.339 4.608 -9.814 235 HA ARG 35 HA ARG 35 2.362 4.634 -12.676 236 HB2 ARG 35 1HB ARG 35 4.843 3.933 -11.156 237 HB3 ARG 35 2HB ARG 35 4.474 3.075 -12.646 238 HG2 ARG 35 1HG ARG 35 4.237 5.404 -13.694 239 HG3 ARG 35 2HG ARG 35 5.073 5.981 -12.251 240 HD2 ARG 35 1HD ARG 35 6.075 3.999 -14.287 241 HD3 ARG 35 2HD ARG 35 6.703 5.615 -13.964 242 HE ARG 35 HE ARG 35 6.792 3.874 -11.683 243 HH11 ARG 35 2HH1 ARG 35 8.447 4.878 -14.576 244 HH12 ARG 35 1HH1 ARG 35 10.012 4.408 -14.001 245 HH21 ARG 35 2HH2 ARG 35 8.848 3.251 -10.914 246 HH22 ARG 35 1HH2 ARG 35 10.239 3.482 -11.918 247 H ILE 36 H ILE 36 2.156 2.467 -13.588 248 HA ILE 36 HA ILE 36 1.471 0.374 -11.658 249 HB ILE 36 HB ILE 36 -0.358 1.247 -13.897 250 HG12 ILE 36 1HG1 ILE 36 -0.292 2.639 -11.759 251 HG13 ILE 36 2HG1 ILE 36 -1.864 2.006 -12.235 252 HG21 ILE 36 1HG2 ILE 36 -0.630 -1.052 -13.822 253 HG22 ILE 36 2HG2 ILE 36 -0.356 -1.129 -12.083 254 HG23 ILE 36 3HG2 ILE 36 -1.873 -0.484 -12.708 255 HD11 ILE 36 1HD1 ILE 36 -1.385 1.833 -9.811 256 HD12 ILE 36 2HD1 ILE 36 -1.737 0.286 -10.581 257 HD13 ILE 36 3HD1 ILE 36 -0.072 0.719 -10.192 258 H THR 37 H THR 37 1.719 -1.720 -12.407 259 HA THR 37 HA THR 37 3.495 -2.025 -14.648 260 HB THR 37 HB THR 37 2.233 -4.201 -12.973 261 HG1 THR 37 1HG THR 37 3.928 -3.961 -11.596 262 HG21 THR 37 1HG2 THR 37 3.858 -4.293 -15.276 263 HG22 THR 37 2HG2 THR 37 3.394 -5.632 -14.225 264 HG23 THR 37 3HG2 THR 37 4.884 -4.742 -13.914 265 HA PRO 38 HA PRO 38 0.161 -2.655 -17.549 266 HB2 PRO 38 1HB PRO 38 1.759 -3.056 -19.706 267 HB3 PRO 38 2HB PRO 38 1.431 -1.453 -19.039 268 HG2 PRO 38 1HG PRO 38 3.813 -3.220 -18.636 269 HG3 PRO 38 2HG PRO 38 3.753 -1.471 -18.924 270 HD2 PRO 38 1HD PRO 38 4.109 -2.530 -16.457 271 HD3 PRO 38 2HD PRO 38 3.251 -0.999 -16.725 272 H GLY 39 H GLY 39 -0.831 -4.575 -17.190 273 HA2 GLY 39 1HA GLY 39 -1.343 -6.768 -17.786 274 HA3 GLY 39 2HA GLY 39 0.244 -6.910 -18.529 275 H SER 40 H SER 40 -1.144 -6.449 -15.275 276 HA SER 40 HA SER 40 0.019 -8.832 -14.262 277 HB2 SER 40 1HB SER 40 1.869 -8.105 -13.105 278 HB3 SER 40 2HB SER 40 1.938 -7.002 -14.479 279 HG SER 40 HG SER 40 0.615 -5.572 -13.069 280 H LYS 41 H LYS 41 0.107 -8.483 -11.637 281 HA LYS 41 HA LYS 41 -2.535 -8.368 -10.814 282 HB2 LYS 41 1HB LYS 41 -0.132 -7.761 -9.085 283 HB3 LYS 41 2HB LYS 41 -1.698 -8.350 -8.543 284 HG2 LYS 41 1HG LYS 41 -0.221 -9.988 -10.525 285 HG3 LYS 41 2HG LYS 41 0.379 -9.954 -8.866 286 HD2 LYS 41 1HD LYS 41 -1.705 -10.754 -8.018 287 HD3 LYS 41 2HD LYS 41 -2.482 -10.561 -9.591 288 HE2 LYS 41 1HE LYS 41 -2.061 -12.811 -9.619 289 HE3 LYS 41 2HE LYS 41 -0.580 -12.207 -10.362 290 HZ1 LYS 41 1HZ LYS 41 -0.358 -13.912 -8.509 291 HZ2 LYS 41 2HZ LYS 41 -0.768 -12.660 -7.448 292 HZ3 LYS 41 3HZ LYS 41 0.619 -12.535 -8.409 293 H ALA 42 H ALA 42 -0.279 -5.798 -11.326 294 HA ALA 42 HA ALA 42 -1.644 -3.834 -9.754 295 HB1 ALA 42 1HB ALA 42 0.160 -3.134 -12.033 296 HB2 ALA 42 2HB ALA 42 -0.043 -2.331 -10.476 297 HB3 ALA 42 3HB ALA 42 0.820 -3.866 -10.571 298 H ALA 43 H ALA 43 -1.100 -3.808 -13.274 299 HA ALA 43 HA ALA 43 -3.245 -2.078 -13.823 300 HB1 ALA 43 1HB ALA 43 -1.571 -3.899 -15.508 301 HB2 ALA 43 2HB ALA 43 -2.947 -3.042 -16.205 302 HB3 ALA 43 3HB ALA 43 -1.621 -2.136 -15.476 303 H ALA 44 H ALA 44 -2.984 -5.613 -14.059 304 HA ALA 44 HA ALA 44 -5.445 -6.201 -15.161 305 HB1 ALA 44 1HB ALA 44 -5.211 -8.395 -14.271 306 HB2 ALA 44 2HB ALA 44 -3.592 -7.814 -14.662 307 HB3 ALA 44 3HB ALA 44 -4.144 -7.827 -12.987 308 H ALA 45 H ALA 45 -4.692 -5.096 -11.958 309 HA ALA 45 HA ALA 45 -7.305 -5.782 -10.899 310 HB1 ALA 45 1HB ALA 45 -6.282 -4.273 -8.961 311 HB2 ALA 45 2HB ALA 45 -5.836 -5.966 -9.176 312 HB3 ALA 45 3HB ALA 45 -4.783 -4.692 -9.790 313 H ASN 46 H ASN 46 -6.815 -3.790 -13.156 314 HA ASN 46 HA ASN 46 -7.705 -1.832 -13.896 315 HB2 ASN 46 1HB ASN 46 -9.523 -1.898 -11.490 316 HB3 ASN 46 2HB ASN 46 -9.842 -1.204 -13.077 317 HD21 ASN 46 1HD2 ASN 46 -10.629 -2.470 -14.676 318 HD22 ASN 46 2HD2 ASN 46 -11.039 -4.136 -14.475 319 H LEU 47 H LEU 47 -5.401 -1.607 -12.344 320 HA LEU 47 HA LEU 47 -5.865 0.754 -10.665 321 HB2 LEU 47 1HB LEU 47 -3.395 -0.949 -10.963 322 HB3 LEU 47 2HB LEU 47 -3.597 0.391 -9.836 323 HG LEU 47 HG LEU 47 -5.301 -2.089 -9.746 324 HD11 LEU 47 1HD1 LEU 47 -3.624 -2.300 -7.623 325 HD12 LEU 47 2HD1 LEU 47 -2.539 -1.663 -8.858 326 HD13 LEU 47 3HD1 LEU 47 -3.424 -3.160 -9.150 327 HD21 LEU 47 1HD2 LEU 47 -4.670 -0.118 -7.564 328 HD22 LEU 47 2HD2 LEU 47 -5.938 -1.344 -7.600 329 HD23 LEU 47 3HD2 LEU 47 -6.047 0.070 -8.650 330 H CYS 48 H CYS 48 -4.941 2.714 -11.096 331 HA CYS 48 HA CYS 48 -3.170 2.961 -13.407 332 HB2 CYS 48 1HB CYS 48 -5.903 4.154 -13.156 333 HB3 CYS 48 2HB CYS 48 -4.652 5.053 -14.004 334 HG CYS 48 HG CYS 48 -6.627 3.022 -15.342 335 HA PRO 49 HA PRO 49 -1.090 5.888 -10.879 336 HB2 PRO 49 1HB PRO 49 0.081 7.430 -12.781 337 HB3 PRO 49 2HB PRO 49 0.622 5.790 -12.408 338 HG2 PRO 49 1HG PRO 49 -1.137 6.743 -14.635 339 HG3 PRO 49 2HG PRO 49 0.189 5.566 -14.681 340 HD2 PRO 49 1HD PRO 49 -2.415 4.825 -14.609 341 HD3 PRO 49 2HD PRO 49 -1.127 3.862 -13.857 342 H GLY 50 H GLY 50 -2.908 6.950 -9.953 343 HA2 GLY 50 1HA GLY 50 -3.054 9.661 -10.162 344 HA3 GLY 50 2HA GLY 50 -4.218 9.099 -11.353 345 H ASP 51 H ASP 51 -4.911 6.728 -9.749 346 HA ASP 51 HA ASP 51 -7.135 7.704 -8.406 347 HB2 ASP 51 1HB ASP 51 -5.664 5.107 -8.393 348 HB3 ASP 51 2HB ASP 51 -6.886 5.379 -7.153 349 H VAL 52 H VAL 52 -7.649 7.748 -6.137 350 HA VAL 52 HA VAL 52 -5.389 8.704 -4.539 351 HB VAL 52 HB VAL 52 -8.346 8.939 -3.967 352 HG11 VAL 52 1HG1 VAL 52 -7.642 10.639 -2.335 353 HG12 VAL 52 2HG1 VAL 52 -6.994 9.042 -1.954 354 HG13 VAL 52 3HG1 VAL 52 -5.956 10.264 -2.690 355 HG21 VAL 52 1HG2 VAL 52 -8.259 10.396 -5.684 356 HG22 VAL 52 2HG2 VAL 52 -7.515 11.459 -4.489 357 HG23 VAL 52 3HG2 VAL 52 -6.503 10.545 -5.608 358 H ILE 53 H ILE 53 -4.992 7.961 -2.437 359 HA ILE 53 HA ILE 53 -6.158 5.321 -1.843 360 HB ILE 53 HB ILE 53 -3.456 6.359 -0.984 361 HG12 ILE 53 1HG1 ILE 53 -3.898 5.822 -3.498 362 HG13 ILE 53 2HG1 ILE 53 -2.462 5.168 -2.718 363 HG21 ILE 53 1HG2 ILE 53 -3.829 4.778 0.590 364 HG22 ILE 53 2HG2 ILE 53 -5.027 3.931 -0.388 365 HG23 ILE 53 3HG2 ILE 53 -3.307 3.698 -0.703 366 HD11 ILE 53 1HD1 ILE 53 -3.272 3.025 -2.725 367 HD12 ILE 53 2HD1 ILE 53 -4.957 3.546 -2.773 368 HD13 ILE 53 3HD1 ILE 53 -3.957 3.661 -4.221 369 H LEU 54 H LEU 54 -7.725 5.657 -0.381 370 HA LEU 54 HA LEU 54 -7.506 7.674 1.662 371 HB2 LEU 54 1HB LEU 54 -9.549 5.499 1.237 372 HB3 LEU 54 2HB LEU 54 -9.680 6.795 2.425 373 HG LEU 54 HG LEU 54 -9.495 7.320 -0.533 374 HD11 LEU 54 1HD1 LEU 54 -11.564 6.575 -0.801 375 HD12 LEU 54 2HD1 LEU 54 -12.120 7.755 0.385 376 HD13 LEU 54 3HD1 LEU 54 -11.661 6.133 0.903 377 HD21 LEU 54 1HD2 LEU 54 -9.004 9.105 1.227 378 HD22 LEU 54 2HD2 LEU 54 -10.724 9.027 1.611 379 HD23 LEU 54 3HD2 LEU 54 -10.201 9.491 -0.009 380 H ALA 55 H ALA 55 -7.569 4.121 1.595 381 HA ALA 55 HA ALA 55 -6.095 4.121 4.131 382 HB1 ALA 55 1HB ALA 55 -8.774 3.012 3.655 383 HB2 ALA 55 2HB ALA 55 -7.648 1.930 4.476 384 HB3 ALA 55 3HB ALA 55 -8.002 3.518 5.158 385 H ILE 56 H ILE 56 -4.594 2.506 4.345 386 HA ILE 56 HA ILE 56 -4.148 0.864 1.949 387 HB ILE 56 HB ILE 56 -2.228 1.672 4.136 388 HG12 ILE 56 1HG1 ILE 56 -2.274 2.414 1.204 389 HG13 ILE 56 2HG1 ILE 56 -2.879 3.444 2.498 390 HG21 ILE 56 1HG2 ILE 56 -0.780 0.128 3.444 391 HG22 ILE 56 2HG2 ILE 56 -2.124 -0.610 2.575 392 HG23 ILE 56 3HG2 ILE 56 -1.058 0.524 1.748 393 HD11 ILE 56 1HD1 ILE 56 -0.125 2.486 2.839 394 HD12 ILE 56 2HD1 ILE 56 -0.392 3.585 1.485 395 HD13 ILE 56 3HD1 ILE 56 -0.822 4.081 3.122 396 H ASP 57 H ASP 57 -4.473 -1.253 2.041 397 HA ASP 57 HA ASP 57 -5.089 -3.292 2.874 398 HB2 ASP 57 1HB ASP 57 -2.597 -3.199 3.240 399 HB3 ASP 57 2HB ASP 57 -2.923 -2.728 4.905 400 H GLY 58 H GLY 58 -6.691 -1.190 3.859 401 HA2 GLY 58 1HA GLY 58 -8.442 -1.073 5.369 402 HA3 GLY 58 2HA GLY 58 -7.790 -2.489 6.180 403 H PHE 59 H PHE 59 -6.052 0.511 5.550 404 HA PHE 59 HA PHE 59 -6.300 1.310 8.342 405 HB2 PHE 59 1HB PHE 59 -3.601 0.867 7.050 406 HB3 PHE 59 2HB PHE 59 -3.894 1.454 8.684 407 HD1 PHE 59 2HD PHE 59 -5.516 -0.191 10.076 408 HD2 PHE 59 1HD PHE 59 -2.981 -1.322 6.849 409 HE1 PHE 59 2HE PHE 59 -5.491 -2.505 10.911 410 HE2 PHE 59 1HE PHE 59 -2.953 -3.638 7.679 411 HZ PHE 59 HZ PHE 59 -4.208 -4.232 9.712 412 H GLY 60 H GLY 60 -7.105 3.298 8.039 413 HA2 GLY 60 1HA GLY 60 -6.845 4.974 5.886 414 HA3 GLY 60 2HA GLY 60 -7.099 5.543 7.530 415 H THR 61 H THR 61 -5.536 6.703 5.311 416 HA THR 61 HA THR 61 -2.798 6.518 6.327 417 HB THR 61 HB THR 61 -2.097 7.679 4.344 418 HG1 THR 61 1HG THR 61 -3.425 8.899 3.218 419 HG21 THR 61 1HG2 THR 61 -2.213 5.703 3.319 420 HG22 THR 61 2HG2 THR 61 -3.818 6.143 2.735 421 HG23 THR 61 3HG2 THR 61 -3.642 5.259 4.251 422 H GLU 62 H GLU 62 -4.762 7.797 7.961 423 HA GLU 62 HA GLU 62 -4.498 10.642 7.680 424 HB2 GLU 62 1HB GLU 62 -5.722 10.773 9.773 425 HB3 GLU 62 2HB GLU 62 -6.491 9.611 8.701 426 HG2 GLU 62 1HG GLU 62 -5.593 7.774 9.933 427 HG3 GLU 62 2HG GLU 62 -4.597 8.852 10.909 428 H SER 63 H SER 63 -2.833 8.109 9.396 429 HA SER 63 HA SER 63 -0.956 10.120 10.443 430 HB2 SER 63 1HB SER 63 -2.390 9.197 12.263 431 HB3 SER 63 2HB SER 63 -1.779 7.587 11.883 432 HG SER 63 HG SER 63 0.324 8.373 12.377 433 H MET 64 H MET 64 -1.051 8.270 8.049 434 HA MET 64 HA MET 64 1.452 6.810 8.581 435 HB2 MET 64 1HB MET 64 0.075 5.100 7.939 436 HB3 MET 64 2HB MET 64 -0.952 6.146 6.968 437 HG2 MET 64 1HG MET 64 0.392 5.983 5.117 438 HG3 MET 64 2HG MET 64 1.831 5.607 6.063 439 HE1 MET 64 1HE MET 64 -1.734 3.892 4.900 440 HE2 MET 64 2HE MET 64 -1.545 2.526 5.999 441 HE3 MET 64 3HE MET 64 -1.593 4.170 6.636 442 H THR 65 H THR 65 3.013 8.213 7.980 443 HA THR 65 HA THR 65 2.779 9.979 5.755 444 HB THR 65 HB THR 65 5.089 10.567 6.160 445 HG1 THR 65 1HG THR 65 6.396 9.350 7.486 446 HG21 THR 65 1HG2 THR 65 4.893 10.729 8.817 447 HG22 THR 65 2HG2 THR 65 3.227 10.282 8.453 448 HG23 THR 65 3HG2 THR 65 3.928 11.733 7.737 449 H HIS 66 H HIS 66 4.186 9.978 3.869 450 HA HIS 66 HA HIS 66 3.979 7.866 2.213 451 HB2 HIS 66 1HB HIS 66 5.109 10.262 1.933 452 HB3 HIS 66 2HB HIS 66 6.583 9.308 2.073 453 HD1 HIS 66 1HD HIS 66 3.351 8.672 0.155 454 HD2 HIS 66 2HD HIS 66 7.456 8.893 -0.444 455 HE1 HIS 66 1HE HIS 66 3.708 8.105 -2.268 456 HE2 HIS 66 2HE HIS 66 6.206 8.162 -2.587 457 H ALA 67 H ALA 67 6.863 8.476 4.220 458 HA ALA 67 HA ALA 67 8.306 6.206 3.567 459 HB1 ALA 67 1HB ALA 67 9.636 6.634 5.433 460 HB2 ALA 67 2HB ALA 67 8.978 8.216 5.015 461 HB3 ALA 67 3HB ALA 67 8.291 7.302 6.357 462 H ASP 68 H ASP 68 5.738 6.608 5.956 463 HA ASP 68 HA ASP 68 5.982 4.056 7.146 464 HB2 ASP 68 1HB ASP 68 3.658 5.979 6.969 465 HB3 ASP 68 2HB ASP 68 3.609 4.486 7.903 466 H ALA 69 H ALA 69 4.053 5.264 4.441 467 HA ALA 69 HA ALA 69 2.458 3.028 3.992 468 HB1 ALA 69 1HB ALA 69 1.828 4.039 2.055 469 HB2 ALA 69 2HB ALA 69 2.593 5.419 2.844 470 HB3 ALA 69 3HB ALA 69 3.476 4.498 1.627 471 H GLN 70 H GLN 70 5.775 3.689 3.015 472 HA GLN 70 HA GLN 70 6.092 1.568 1.203 473 HB2 GLN 70 1HB GLN 70 8.192 2.806 2.990 474 HB3 GLN 70 2HB GLN 70 8.491 1.869 1.532 475 HG2 GLN 70 1HG GLN 70 6.933 4.437 1.538 476 HG3 GLN 70 2HG GLN 70 8.679 4.365 1.306 477 HE21 GLN 70 1HE2 GLN 70 5.617 4.025 -0.135 478 HE22 GLN 70 2HE2 GLN 70 6.148 3.559 -1.711 479 H ASP 71 H ASP 71 6.465 1.739 4.705 480 HA ASP 71 HA ASP 71 7.445 -0.960 4.918 481 HB2 ASP 71 1HB ASP 71 6.818 1.254 6.801 482 HB3 ASP 71 2HB ASP 71 6.757 -0.385 7.445 483 H ARG 72 H ARG 72 4.414 0.440 4.496 484 HA ARG 72 HA ARG 72 2.970 -1.678 5.886 485 HB2 ARG 72 1HB ARG 72 2.253 0.947 4.688 486 HB3 ARG 72 2HB ARG 72 1.006 -0.292 4.714 487 HG2 ARG 72 1HG ARG 72 2.500 0.235 7.224 488 HG3 ARG 72 2HG ARG 72 1.309 1.423 6.692 489 HD2 ARG 72 1HD ARG 72 -0.381 -0.362 6.566 490 HD3 ARG 72 2HD ARG 72 0.815 -1.516 7.154 491 HE ARG 72 HE ARG 72 -0.609 0.460 8.703 492 HH11 ARG 72 2HH1 ARG 72 2.150 -1.657 8.539 493 HH12 ARG 72 1HH1 ARG 72 2.373 -1.713 10.256 494 HH21 ARG 72 2HH2 ARG 72 -0.325 0.395 10.965 495 HH22 ARG 72 1HH2 ARG 72 0.965 -0.546 11.635 496 H ILE 73 H ILE 73 3.626 -0.529 2.622 497 HA ILE 73 HA ILE 73 1.905 -2.423 1.342 498 HB ILE 73 HB ILE 73 4.089 -0.624 0.315 499 HG12 ILE 73 1HG1 ILE 73 1.156 -0.646 -0.381 500 HG13 ILE 73 2HG1 ILE 73 1.776 0.231 1.013 501 HG21 ILE 73 1HG2 ILE 73 4.116 -2.675 -1.012 502 HG22 ILE 73 2HG2 ILE 73 2.384 -2.517 -1.298 503 HG23 ILE 73 3HG2 ILE 73 3.499 -1.315 -1.949 504 HD11 ILE 73 1HD1 ILE 73 1.675 1.042 -1.702 505 HD12 ILE 73 2HD1 ILE 73 2.241 1.945 -0.296 506 HD13 ILE 73 3HD1 ILE 73 3.366 0.941 -1.211 507 H LYS 74 H LYS 74 5.355 -2.265 2.074 508 HA LYS 74 HA LYS 74 6.054 -4.629 0.654 509 HB2 LYS 74 1HB LYS 74 8.170 -4.494 1.947 510 HB3 LYS 74 2HB LYS 74 7.750 -2.983 1.152 511 HG2 LYS 74 1HG LYS 74 8.325 -2.163 3.181 512 HG3 LYS 74 2HG LYS 74 6.623 -2.499 3.504 513 HD2 LYS 74 1HD LYS 74 7.568 -3.519 5.318 514 HD3 LYS 74 2HD LYS 74 7.586 -4.867 4.179 515 HE2 LYS 74 1HE LYS 74 9.924 -3.021 4.269 516 HE3 LYS 74 2HE LYS 74 9.733 -4.214 5.553 517 HZ1 LYS 74 1HZ LYS 74 9.383 -5.795 3.508 518 HZ2 LYS 74 2HZ LYS 74 10.935 -5.412 4.060 519 HZ3 LYS 74 3HZ LYS 74 10.298 -4.617 2.710 520 H ALA 75 H ALA 75 5.014 -3.954 3.937 521 HA ALA 75 HA ALA 75 5.365 -6.762 4.684 522 HB1 ALA 75 1HB ALA 75 4.821 -4.263 6.248 523 HB2 ALA 75 2HB ALA 75 4.580 -5.861 6.956 524 HB3 ALA 75 3HB ALA 75 6.177 -5.383 6.380 525 H ALA 76 H ALA 76 3.218 -5.474 2.876 526 HA ALA 76 HA ALA 76 0.716 -5.557 4.053 527 HB1 ALA 76 1HB ALA 76 -0.184 -5.910 1.845 528 HB2 ALA 76 2HB ALA 76 1.178 -4.794 1.748 529 HB3 ALA 76 3HB ALA 76 1.381 -6.476 1.260 530 H SER 77 H SER 77 -0.917 -7.381 3.038 531 HA SER 77 HA SER 77 0.098 -9.932 4.108 532 HB2 SER 77 1HB SER 77 -2.617 -8.642 4.249 533 HB3 SER 77 2HB SER 77 -2.431 -10.383 4.453 534 HG SER 77 HG SER 77 -2.349 -9.046 6.419 535 H TYR 78 H TYR 78 -1.525 -11.777 3.280 536 HA TYR 78 HA TYR 78 -0.878 -12.578 0.831 537 HB2 TYR 78 1HB TYR 78 -3.390 -13.472 0.721 538 HB3 TYR 78 2HB TYR 78 -2.205 -14.145 1.835 539 HD1 TYR 78 2HD TYR 78 -5.176 -12.011 1.530 540 HD2 TYR 78 1HD TYR 78 -2.371 -13.753 4.214 541 HE1 TYR 78 2HE TYR 78 -6.649 -11.457 3.420 542 HE2 TYR 78 1HE TYR 78 -3.837 -13.205 6.111 543 HH TYR 78 HH TYR 78 -6.927 -11.520 5.618 544 H GLN 79 H GLN 79 -3.296 -10.128 1.519 545 HA GLN 79 HA GLN 79 -3.258 -9.370 -1.308 546 HB2 GLN 79 1HB GLN 79 -5.835 -9.492 0.253 547 HB3 GLN 79 2HB GLN 79 -5.630 -9.189 -1.467 548 HG2 GLN 79 1HG GLN 79 -5.336 -11.387 -1.966 549 HG3 GLN 79 2HG GLN 79 -4.636 -11.766 -0.393 550 HE21 GLN 79 1HE2 GLN 79 -7.592 -9.971 -0.704 551 HE22 GLN 79 2HE2 GLN 79 -8.645 -11.210 -0.121 552 H LEU 80 H LEU 80 -3.544 -7.183 -1.701 553 HA LEU 80 HA LEU 80 -3.318 -5.478 0.675 554 HB2 LEU 80 1HB LEU 80 -1.493 -5.251 -0.862 555 HB3 LEU 80 2HB LEU 80 -2.600 -5.017 -2.213 556 HG LEU 80 HG LEU 80 -3.279 -2.856 -1.274 557 HD11 LEU 80 1HD1 LEU 80 -1.578 -3.776 0.967 558 HD12 LEU 80 2HD1 LEU 80 -3.057 -2.816 0.982 559 HD13 LEU 80 3HD1 LEU 80 -1.520 -2.062 0.557 560 HD21 LEU 80 1HD2 LEU 80 -0.942 -1.766 -1.456 561 HD22 LEU 80 2HD2 LEU 80 -1.601 -2.612 -2.856 562 HD23 LEU 80 3HD2 LEU 80 -0.390 -3.396 -1.840 563 H CYS 81 H CYS 81 -5.020 -4.343 1.302 564 HA CYS 81 HA CYS 81 -7.226 -3.931 -0.580 565 HB2 CYS 81 1HB CYS 81 -7.646 -5.006 1.654 566 HB3 CYS 81 2HB CYS 81 -7.216 -3.476 2.407 567 HG CYS 81 HG CYS 81 -9.956 -4.188 0.511 568 H LEU 82 H LEU 82 -7.037 -2.096 -1.698 569 HA LEU 82 HA LEU 82 -6.215 0.335 -0.252 570 HB2 LEU 82 1HB LEU 82 -5.831 -0.521 -3.099 571 HB3 LEU 82 2HB LEU 82 -5.746 1.177 -2.637 572 HG LEU 82 HG LEU 82 -3.978 -0.988 -1.503 573 HD11 LEU 82 1HD1 LEU 82 -2.343 0.594 -2.957 574 HD12 LEU 82 2HD1 LEU 82 -3.795 0.619 -3.958 575 HD13 LEU 82 3HD1 LEU 82 -3.037 -0.918 -3.543 576 HD21 LEU 82 1HD2 LEU 82 -4.455 1.799 -0.848 577 HD22 LEU 82 2HD2 LEU 82 -2.763 1.480 -1.231 578 HD23 LEU 82 3HD2 LEU 82 -3.567 0.563 0.044 579 H LYS 83 H LYS 83 -7.967 1.458 0.294 580 HA LYS 83 HA LYS 83 -10.349 1.407 -1.364 581 HB2 LYS 83 1HB LYS 83 -10.450 1.289 1.135 582 HB3 LYS 83 2HB LYS 83 -9.852 2.942 1.193 583 HG2 LYS 83 1HG LYS 83 -11.824 3.725 0.020 584 HG3 LYS 83 2HG LYS 83 -12.416 2.068 -0.125 585 HD2 LYS 83 1HD LYS 83 -12.980 1.931 2.094 586 HD3 LYS 83 2HD LYS 83 -11.763 3.111 2.587 587 HE2 LYS 83 1HE LYS 83 -13.101 4.909 1.642 588 HE3 LYS 83 2HE LYS 83 -14.298 3.744 1.077 589 HZ1 LYS 83 1HZ LYS 83 -14.973 3.280 3.244 590 HZ2 LYS 83 2HZ LYS 83 -14.773 4.959 3.240 591 HZ3 LYS 83 3HZ LYS 83 -13.592 3.969 3.938 592 H ILE 84 H ILE 84 -10.493 2.727 -3.048 593 HA ILE 84 HA ILE 84 -9.062 5.280 -3.011 594 HB ILE 84 HB ILE 84 -9.593 5.385 -5.424 595 HG12 ILE 84 1HG1 ILE 84 -10.491 2.534 -5.342 596 HG13 ILE 84 2HG1 ILE 84 -11.663 3.799 -4.986 597 HG21 ILE 84 1HG2 ILE 84 -7.498 4.517 -5.143 598 HG22 ILE 84 2HG2 ILE 84 -8.075 3.133 -4.215 599 HG23 ILE 84 3HG2 ILE 84 -8.276 3.166 -5.967 600 HD11 ILE 84 1HD1 ILE 84 -10.412 4.675 -7.289 601 HD12 ILE 84 2HD1 ILE 84 -10.586 2.935 -7.520 602 HD13 ILE 84 3HD1 ILE 84 -12.003 3.924 -7.170 603 H ASP 85 H ASP 85 -10.126 7.221 -3.770 604 HA ASP 85 HA ASP 85 -12.787 7.463 -2.660 605 HB2 ASP 85 1HB ASP 85 -10.951 9.165 -2.315 606 HB3 ASP 85 2HB ASP 85 -11.148 9.614 -4.007 607 H ARG 86 H ARG 86 -12.608 5.841 -4.998 608 HA ARG 86 HA ARG 86 -13.344 5.661 -7.182 609 HB2 ARG 86 1HB ARG 86 -15.526 6.756 -5.473 610 HB3 ARG 86 2HB ARG 86 -15.817 6.638 -7.203 611 HG2 ARG 86 1HG ARG 86 -14.824 4.298 -5.616 612 HG3 ARG 86 2HG ARG 86 -16.542 4.685 -5.732 613 HD2 ARG 86 1HD ARG 86 -16.652 4.156 -7.956 614 HD3 ARG 86 2HD ARG 86 -14.957 4.546 -8.243 615 HE ARG 86 HE ARG 86 -14.873 2.349 -6.636 616 HH11 ARG 86 2HH1 ARG 86 -16.394 3.097 -9.676 617 HH12 ARG 86 1HH1 ARG 86 -16.318 1.469 -10.264 618 HH21 ARG 86 2HH2 ARG 86 -14.767 0.202 -7.398 619 HH22 ARG 86 1HH2 ARG 86 -15.394 -0.177 -8.966 620 H ALA 87 H ALA 87 -11.693 7.947 -6.913 621 HA ALA 87 HA ALA 87 -12.832 10.297 -7.957 622 HB1 ALA 87 1HB ALA 87 -10.644 10.224 -6.846 623 HB2 ALA 87 2HB ALA 87 -9.985 9.337 -8.221 624 HB3 ALA 87 3HB ALA 87 -10.555 10.993 -8.431 625 H GLU 88 H GLU 88 -13.891 10.402 -9.829 626 HA GLU 88 HA GLU 88 -13.324 8.635 -12.018 627 HB2 GLU 88 1HB GLU 88 -15.098 9.885 -13.190 628 HB3 GLU 88 2HB GLU 88 -15.610 9.340 -11.599 629 HG2 GLU 88 1HG GLU 88 -15.375 11.528 -10.689 630 HG3 GLU 88 2HG GLU 88 -14.603 12.115 -12.161 631 H THR 89 H THR 89 -12.654 11.991 -11.226 632 HA THR 89 HA THR 89 -10.937 12.143 -13.616 633 HB THR 89 HB THR 89 -12.431 14.486 -12.430 634 HG1 THR 89 1HG THR 89 -13.283 12.534 -14.109 635 HG21 THR 89 1HG2 THR 89 -11.049 15.700 -13.688 636 HG22 THR 89 2HG2 THR 89 -11.709 14.907 -15.118 637 HG23 THR 89 3HG2 THR 89 -10.285 14.242 -14.318 638 H ARG 90 H ARG 90 -10.911 11.925 -10.383 639 HA ARG 90 HA ARG 90 -9.598 12.749 -8.670 640 HB2 ARG 90 1HB ARG 90 -7.534 12.239 -10.820 641 HB3 ARG 90 2HB ARG 90 -7.229 12.295 -9.089 642 HG2 ARG 90 1HG ARG 90 -8.149 10.244 -8.716 643 HG3 ARG 90 2HG ARG 90 -9.256 10.370 -10.084 644 HD2 ARG 90 1HD ARG 90 -6.290 10.140 -10.475 645 HD3 ARG 90 2HD ARG 90 -7.304 8.714 -10.258 646 HE ARG 90 HE ARG 90 -8.173 10.537 -12.327 647 HH11 ARG 90 2HH1 ARG 90 -6.287 7.721 -11.533 648 HH12 ARG 90 1HH1 ARG 90 -6.293 7.100 -13.150 649 HH21 ARG 90 2HH2 ARG 90 -8.187 9.730 -14.461 650 HH22 ARG 90 1HH2 ARG 90 -7.373 8.244 -14.815 651 H LEU 91 H LEU 91 -10.715 14.945 -9.558 652 HA LEU 91 HA LEU 91 -8.507 16.879 -9.661 653 HB2 LEU 91 1HB LEU 91 -9.464 16.628 -11.915 654 HB3 LEU 91 2HB LEU 91 -11.049 17.057 -11.275 655 HG LEU 91 HG LEU 91 -9.828 19.258 -10.550 656 HD11 LEU 91 1HD1 LEU 91 -8.100 18.296 -12.825 657 HD12 LEU 91 2HD1 LEU 91 -7.587 18.541 -11.156 658 HD13 LEU 91 3HD1 LEU 91 -8.085 19.920 -12.136 659 HD21 LEU 91 1HD2 LEU 91 -11.636 18.760 -12.364 660 HD22 LEU 91 2HD2 LEU 91 -10.301 19.014 -13.488 661 HD23 LEU 91 3HD2 LEU 91 -10.774 20.298 -12.374 662 H TRP 92 H TRP 92 -12.045 16.618 -9.287 663 HA TRP 92 HA TRP 92 -11.826 18.368 -6.931 664 HB2 TRP 92 1HB TRP 92 -12.823 19.358 -9.181 665 HB3 TRP 92 2HB TRP 92 -14.274 18.522 -8.635 666 HD1 TRP 92 HD TRP 92 -14.956 19.206 -5.934 667 HE1 TRP 92 1HE TRP 92 -15.015 21.572 -4.923 668 HE3 TRP 92 3HE TRP 92 -11.932 21.599 -9.291 669 HZ2 TRP 92 2HZ TRP 92 -13.925 24.117 -5.476 670 HZ3 TRP 92 3HZ TRP 92 -11.492 23.999 -8.978 671 HH2 TRP 92 HH TRP 92 -12.469 25.231 -7.110 672 H SER 93 H SER 93 -11.795 16.215 -5.886 673 HA SER 93 HA SER 93 -14.539 15.205 -5.521 674 HB2 SER 93 1HB SER 93 -13.513 12.965 -5.061 675 HB3 SER 93 2HB SER 93 -13.300 13.515 -6.722 676 HG SER 93 HG SER 93 -11.428 12.750 -5.080 677 HA PRO 94 HA PRO 94 -12.825 16.746 -1.485 678 HB2 PRO 94 1HB PRO 94 -15.066 18.107 -0.784 679 HB3 PRO 94 2HB PRO 94 -13.785 18.813 -1.776 680 HG2 PRO 94 1HG PRO 94 -16.399 17.625 -2.623 681 HG3 PRO 94 2HG PRO 94 -15.603 19.102 -3.196 682 HD2 PRO 94 1HD PRO 94 -15.518 16.773 -4.574 683 HD3 PRO 94 2HD PRO 94 -14.185 17.945 -4.597 684 H GLN 95 H GLN 95 -16.223 15.814 -2.075 685 HA GLN 95 HA GLN 95 -15.974 13.831 0.074 686 HB2 GLN 95 1HB GLN 95 -18.031 15.995 -0.194 687 HB3 GLN 95 2HB GLN 95 -18.456 14.474 0.579 688 HG2 GLN 95 1HG GLN 95 -16.286 14.941 1.974 689 HG3 GLN 95 2HG GLN 95 -16.591 16.606 1.481 690 HE21 GLN 95 1HE2 GLN 95 -17.977 13.824 3.119 691 HE22 GLN 95 2HE2 GLN 95 -19.076 14.719 4.107 692 H VAL 96 H VAL 96 -15.908 12.117 -1.338 693 HA VAL 96 HA VAL 96 -18.369 11.657 -2.894 694 HB VAL 96 HB VAL 96 -15.660 10.618 -3.709 695 HG11 VAL 96 1HG1 VAL 96 -16.976 9.352 -5.001 696 HG12 VAL 96 2HG1 VAL 96 -18.397 10.350 -4.688 697 HG13 VAL 96 3HG1 VAL 96 -17.244 10.822 -5.936 698 HG21 VAL 96 1HG2 VAL 96 -15.989 12.441 -5.549 699 HG22 VAL 96 2HG2 VAL 96 -16.985 13.223 -4.322 700 HG23 VAL 96 3HG2 VAL 96 -15.288 12.877 -3.990 701 H SER 97 H SER 97 -16.324 10.597 -0.449 702 HA SER 97 HA SER 97 -17.571 7.930 -0.504 703 HB2 SER 97 1HB SER 97 -15.494 7.016 0.503 704 HB3 SER 97 2HB SER 97 -15.225 7.676 -1.110 705 HG SER 97 HG SER 97 -14.380 9.545 -0.140 706 H SER 98 H SER 98 -19.078 8.081 1.044 707 HA SER 98 HA SER 98 -18.412 9.409 3.568 708 HB2 SER 98 1HB SER 98 -20.850 9.242 4.033 709 HB3 SER 98 2HB SER 98 -20.501 10.116 2.542 710 HG SER 98 HG SER 98 -21.501 8.624 1.450 711 H GLY 99 H GLY 99 -19.719 6.338 2.345 712 HA2 GLY 99 1HA GLY 99 -18.512 4.407 3.538 713 HA3 GLY 99 2HA GLY 99 -19.195 5.138 4.983 714 HA PRO 100 HA PRO 100 -22.198 2.201 2.636 715 HB2 PRO 100 1HB PRO 100 -21.630 -0.170 3.830 716 HB3 PRO 100 2HB PRO 100 -20.858 0.361 2.331 717 HG2 PRO 100 1HG PRO 100 -19.828 0.482 5.139 718 HG3 PRO 100 2HG PRO 100 -18.978 0.013 3.655 719 HD2 PRO 100 1HD PRO 100 -18.711 2.464 4.774 720 HD3 PRO 100 2HD PRO 100 -18.617 2.199 3.021 721 H SER 101 H SER 101 -23.844 3.196 3.765 722 HA SER 101 HA SER 101 -25.478 3.441 5.328 723 HB2 SER 101 1HB SER 101 -25.358 0.857 5.088 724 HB3 SER 101 2HB SER 101 -24.564 0.905 6.662 725 HG SER 101 HG SER 101 -26.817 2.434 6.582 726 H SER 102 H SER 102 -23.122 4.798 5.812 727 HA SER 102 HA SER 102 -22.835 4.607 8.739 728 HB2 SER 102 1HB SER 102 -20.883 5.372 6.586 729 HB3 SER 102 2HB SER 102 -20.662 5.953 8.236 730 HG SER 102 HG SER 102 -19.938 3.635 7.279 731 H GLY 103 H GLY 103 -24.744 5.921 8.977 732 HA2 GLY 103 1HA GLY 103 -25.630 7.961 9.601 733 HA3 GLY 103 2HA GLY 103 -24.106 8.712 9.151 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -29.735 10.138 -5.997 2 HA2 GLY 1 1HA GLY 1 -27.822 8.672 -5.763 3 HA3 GLY 1 2HA GLY 1 -27.541 8.850 -7.489 4 H SER 2 H SER 2 -26.027 9.470 -4.847 5 HA SER 2 HA SER 2 -25.314 12.251 -5.499 6 HB2 SER 2 1HB SER 2 -26.011 12.112 -3.221 7 HB3 SER 2 2HB SER 2 -25.044 10.664 -2.942 8 HG SER 2 HG SER 2 -24.289 13.325 -2.983 9 H SER 3 H SER 3 -23.105 12.847 -5.584 10 HA SER 3 HA SER 3 -21.437 10.851 -6.790 11 HB2 SER 3 1HB SER 3 -21.243 13.787 -6.290 12 HB3 SER 3 2HB SER 3 -19.752 12.899 -6.605 13 HG SER 3 HG SER 3 -21.267 12.024 -8.437 14 H GLY 4 H GLY 4 -20.673 9.325 -5.430 15 HA2 GLY 4 1HA GLY 4 -18.463 9.498 -3.946 16 HA3 GLY 4 2HA GLY 4 -19.668 10.070 -2.802 17 H SER 5 H SER 5 -18.083 7.380 -4.009 18 HA SER 5 HA SER 5 -19.803 5.617 -2.453 19 HB2 SER 5 1HB SER 5 -20.445 5.668 -4.996 20 HB3 SER 5 2HB SER 5 -19.002 4.673 -5.185 21 HG SER 5 HG SER 5 -20.784 3.949 -3.176 22 H SER 6 H SER 6 -18.480 4.633 -1.091 23 HA SER 6 HA SER 6 -15.785 4.616 -0.995 24 HB2 SER 6 1HB SER 6 -15.952 2.452 0.287 25 HB3 SER 6 2HB SER 6 -17.048 3.719 0.841 26 HG SER 6 HG SER 6 -17.998 1.973 -1.109 27 H GLY 7 H GLY 7 -14.120 3.727 -2.053 28 HA2 GLY 7 1HA GLY 7 -14.753 1.715 -4.119 29 HA3 GLY 7 2HA GLY 7 -13.462 2.900 -4.252 30 H ASN 8 H ASN 8 -14.275 -0.251 -3.345 31 HA ASN 8 HA ASN 8 -11.908 -0.615 -1.679 32 HB2 ASN 8 1HB ASN 8 -12.799 -2.686 -1.043 33 HB3 ASN 8 2HB ASN 8 -14.225 -1.668 -1.226 34 HD21 ASN 8 1HD2 ASN 8 -12.211 -4.012 -2.930 35 HD22 ASN 8 2HD2 ASN 8 -13.486 -4.681 -3.884 36 H VAL 9 H VAL 9 -10.129 -1.781 -2.263 37 HA VAL 9 HA VAL 9 -10.088 -3.081 -4.884 38 HB VAL 9 HB VAL 9 -8.108 -0.963 -4.034 39 HG11 VAL 9 1HG1 VAL 9 -8.084 -2.590 -6.570 40 HG12 VAL 9 2HG1 VAL 9 -6.870 -1.434 -6.017 41 HG13 VAL 9 3HG1 VAL 9 -7.092 -2.959 -5.159 42 HG21 VAL 9 1HG2 VAL 9 -9.708 -0.957 -6.562 43 HG22 VAL 9 2HG2 VAL 9 -10.415 -0.365 -5.059 44 HG23 VAL 9 3HG2 VAL 9 -8.962 0.394 -5.708 45 H VAL 10 H VAL 10 -9.329 -5.062 -4.599 46 HA VAL 10 HA VAL 10 -7.246 -5.495 -2.556 47 HB VAL 10 HB VAL 10 -9.148 -7.662 -3.384 48 HG11 VAL 10 1HG1 VAL 10 -7.683 -7.178 -0.794 49 HG12 VAL 10 2HG1 VAL 10 -8.549 -8.639 -1.277 50 HG13 VAL 10 3HG1 VAL 10 -7.067 -8.172 -2.114 51 HG21 VAL 10 1HG2 VAL 10 -10.673 -7.099 -1.641 52 HG22 VAL 10 2HG2 VAL 10 -9.630 -5.798 -1.065 53 HG23 VAL 10 3HG2 VAL 10 -10.444 -5.652 -2.623 54 H LEU 11 H LEU 11 -5.423 -5.606 -3.746 55 HA LEU 11 HA LEU 11 -5.379 -7.010 -6.281 56 HB2 LEU 11 1HB LEU 11 -2.988 -5.911 -4.845 57 HB3 LEU 11 2HB LEU 11 -3.214 -6.158 -6.575 58 HG LEU 11 HG LEU 11 -4.800 -4.121 -5.032 59 HD11 LEU 11 1HD1 LEU 11 -2.160 -3.720 -6.432 60 HD12 LEU 11 2HD1 LEU 11 -2.442 -3.617 -4.694 61 HD13 LEU 11 3HD1 LEU 11 -3.188 -2.444 -5.779 62 HD21 LEU 11 1HD2 LEU 11 -4.831 -3.093 -7.356 63 HD22 LEU 11 2HD2 LEU 11 -5.777 -4.564 -7.125 64 HD23 LEU 11 3HD2 LEU 11 -4.211 -4.640 -7.933 65 HA PRO 12 HA PRO 12 -4.192 -10.892 -4.534 66 HB2 PRO 12 1HB PRO 12 -3.344 -12.071 -6.827 67 HB3 PRO 12 2HB PRO 12 -5.053 -11.831 -6.446 68 HG2 PRO 12 1HG PRO 12 -3.260 -10.207 -8.209 69 HG3 PRO 12 2HG PRO 12 -4.934 -10.722 -8.486 70 HD2 PRO 12 1HD PRO 12 -4.297 -8.228 -7.647 71 HD3 PRO 12 2HD PRO 12 -5.802 -9.040 -7.170 72 H GLY 13 H GLY 13 -2.395 -11.354 -3.437 73 HA2 GLY 13 1HA GLY 13 0.191 -10.484 -4.567 74 HA3 GLY 13 2HA GLY 13 -0.151 -10.616 -2.848 75 HA PRO 14 HA PRO 14 1.474 -11.057 -1.814 76 HB2 PRO 14 1HB PRO 14 4.110 -11.706 -1.759 77 HB3 PRO 14 2HB PRO 14 2.901 -12.510 -0.750 78 HG2 PRO 14 1HG PRO 14 4.117 -13.413 -3.332 79 HG3 PRO 14 2HG PRO 14 3.789 -14.349 -1.862 80 HD2 PRO 14 1HD PRO 14 2.172 -14.432 -4.032 81 HD3 PRO 14 2HD PRO 14 1.558 -14.613 -2.377 82 H ALA 15 H ALA 15 3.776 -9.738 -2.061 83 HA ALA 15 HA ALA 15 3.430 -8.222 -4.441 84 HB1 ALA 15 1HB ALA 15 4.801 -7.930 -1.962 85 HB2 ALA 15 2HB ALA 15 5.926 -7.589 -3.277 86 HB3 ALA 15 3HB ALA 15 4.408 -6.698 -3.162 87 HA PRO 16 HA PRO 16 5.373 -6.609 -5.075 88 HB2 PRO 16 1HB PRO 16 5.649 -5.956 -7.696 89 HB3 PRO 16 2HB PRO 16 7.027 -6.174 -6.610 90 HG2 PRO 16 1HG PRO 16 5.863 -8.084 -8.600 91 HG3 PRO 16 2HG PRO 16 7.566 -7.719 -8.263 92 HD2 PRO 16 1HD PRO 16 6.328 -9.922 -7.291 93 HD3 PRO 16 2HD PRO 16 7.622 -9.086 -6.408 94 H TRP 17 H TRP 17 3.820 -5.092 -6.175 95 HA TRP 17 HA TRP 17 1.356 -6.552 -6.806 96 HB2 TRP 17 1HB TRP 17 1.662 -3.633 -6.080 97 HB3 TRP 17 2HB TRP 17 0.164 -4.556 -6.159 98 HD1 TRP 17 HD TRP 17 2.697 -3.418 -3.748 99 HE1 TRP 17 1HE TRP 17 2.426 -4.632 -1.495 100 HE3 TRP 17 3HE TRP 17 -0.465 -7.158 -5.216 101 HZ2 TRP 17 2HZ TRP 17 1.054 -6.878 -0.475 102 HZ3 TRP 17 3HZ TRP 17 -1.209 -8.798 -3.540 103 HH2 TRP 17 HH TRP 17 -0.464 -8.660 -1.219 104 H GLY 18 H GLY 18 3.187 -3.690 -7.890 105 HA2 GLY 18 1HA GLY 18 3.644 -3.598 -10.325 106 HA3 GLY 18 2HA GLY 18 1.969 -4.077 -10.556 107 H PHE 19 H PHE 19 1.705 -2.134 -8.025 108 HA PHE 19 HA PHE 19 1.211 0.220 -9.711 109 HB2 PHE 19 1HB PHE 19 -0.548 0.795 -8.323 110 HB3 PHE 19 2HB PHE 19 -0.601 -0.962 -8.222 111 HD1 PHE 19 2HD PHE 19 0.384 -2.100 -6.230 112 HD2 PHE 19 1HD PHE 19 -0.139 2.120 -6.424 113 HE1 PHE 19 2HE PHE 19 0.593 -1.965 -3.782 114 HE2 PHE 19 1HE PHE 19 0.070 2.262 -3.976 115 HZ PHE 19 HZ PHE 19 0.435 0.218 -2.652 116 H ARG 20 H ARG 20 1.580 2.354 -8.725 117 HA ARG 20 HA ARG 20 3.924 2.314 -6.937 118 HB2 ARG 20 1HB ARG 20 3.355 4.541 -8.872 119 HB3 ARG 20 2HB ARG 20 4.878 4.110 -8.105 120 HG2 ARG 20 1HG ARG 20 3.479 2.473 -10.210 121 HG3 ARG 20 2HG ARG 20 4.829 3.572 -10.500 122 HD2 ARG 20 1HD ARG 20 4.930 1.217 -8.621 123 HD3 ARG 20 2HD ARG 20 5.476 1.170 -10.297 124 HE ARG 20 HE ARG 20 6.698 3.272 -8.783 125 HH11 ARG 20 2HH1 ARG 20 6.843 -0.118 -9.561 126 HH12 ARG 20 1HH1 ARG 20 8.537 -0.257 -9.224 127 HH21 ARG 20 2HH2 ARG 20 8.928 3.102 -8.335 128 HH22 ARG 20 1HH2 ARG 20 9.722 1.576 -8.525 129 H LEU 21 H LEU 21 4.222 4.625 -5.937 130 HA LEU 21 HA LEU 21 1.619 5.689 -5.092 131 HB2 LEU 21 1HB LEU 21 2.880 5.952 -2.792 132 HB3 LEU 21 2HB LEU 21 1.998 4.483 -3.205 133 HG LEU 21 HG LEU 21 4.094 3.387 -3.811 134 HD11 LEU 21 1HD1 LEU 21 6.237 4.486 -3.289 135 HD12 LEU 21 2HD1 LEU 21 5.368 5.986 -2.969 136 HD13 LEU 21 3HD1 LEU 21 5.358 5.291 -4.589 137 HD21 LEU 21 1HD2 LEU 21 3.182 3.455 -1.437 138 HD22 LEU 21 2HD2 LEU 21 4.441 4.644 -1.103 139 HD23 LEU 21 3HD2 LEU 21 4.880 3.017 -1.626 140 H SER 22 H SER 22 1.647 7.862 -4.363 141 HA SER 22 HA SER 22 4.109 9.377 -4.551 142 HB2 SER 22 1HB SER 22 3.151 9.174 -6.910 143 HB3 SER 22 2HB SER 22 1.814 10.174 -6.343 144 HG SER 22 HG SER 22 3.798 11.197 -7.353 145 H GLY 23 H GLY 23 4.033 11.321 -3.461 146 HA2 GLY 23 1HA GLY 23 2.986 13.124 -2.356 147 HA3 GLY 23 2HA GLY 23 1.458 12.261 -2.445 148 H GLY 24 H GLY 24 1.450 13.096 -0.145 149 HA2 GLY 24 1HA GLY 24 1.543 11.084 1.685 150 HA3 GLY 24 2HA GLY 24 3.166 11.755 1.739 151 H ILE 25 H ILE 25 0.673 11.731 3.568 152 HA ILE 25 HA ILE 25 -0.475 14.148 3.970 153 HB ILE 25 HB ILE 25 -0.248 13.680 6.479 154 HG12 ILE 25 1HG1 ILE 25 0.796 11.018 5.520 155 HG13 ILE 25 2HG1 ILE 25 1.868 12.294 6.087 156 HG21 ILE 25 1HG2 ILE 25 -1.446 11.243 5.664 157 HG22 ILE 25 2HG2 ILE 25 -2.230 12.756 6.114 158 HG23 ILE 25 3HG2 ILE 25 -1.791 12.457 4.433 159 HD11 ILE 25 1HD1 ILE 25 -0.349 11.061 7.704 160 HD12 ILE 25 2HD1 ILE 25 1.358 10.630 7.816 161 HD13 ILE 25 3HD1 ILE 25 0.827 12.252 8.260 162 H ASP 26 H ASP 26 2.862 13.303 4.626 163 HA ASP 26 HA ASP 26 3.519 15.635 6.107 164 HB2 ASP 26 1HB ASP 26 4.812 13.404 5.932 165 HB3 ASP 26 2HB ASP 26 5.495 14.079 4.455 166 H PHE 27 H PHE 27 3.615 14.811 2.682 167 HA PHE 27 HA PHE 27 4.756 17.400 2.002 168 HB2 PHE 27 1HB PHE 27 3.991 14.995 0.345 169 HB3 PHE 27 2HB PHE 27 4.559 16.503 -0.363 170 HD1 PHE 27 2HD PHE 27 6.867 17.221 -0.075 171 HD2 PHE 27 1HD PHE 27 5.485 13.518 1.505 172 HE1 PHE 27 2HE PHE 27 9.195 16.482 0.222 173 HE2 PHE 27 1HE PHE 27 7.811 12.775 1.807 174 HZ PHE 27 HZ PHE 27 9.669 14.257 1.164 175 H ASN 28 H ASN 28 1.978 16.947 3.144 176 HA ASN 28 HA ASN 28 -0.149 17.718 2.865 177 HB2 ASN 28 1HB ASN 28 1.330 19.743 1.170 178 HB3 ASN 28 2HB ASN 28 -0.327 19.927 1.738 179 HD21 ASN 28 1HD2 ASN 28 2.885 20.531 2.393 180 HD22 ASN 28 2HD2 ASN 28 2.738 20.973 4.057 181 H GLN 29 H GLN 29 0.832 15.704 0.954 182 HA GLN 29 HA GLN 29 -1.123 16.210 -1.184 183 HB2 GLN 29 1HB GLN 29 0.944 16.477 -2.290 184 HB3 GLN 29 2HB GLN 29 1.675 15.130 -1.427 185 HG2 GLN 29 1HG GLN 29 1.314 14.088 -3.390 186 HG3 GLN 29 2HG GLN 29 -0.272 13.807 -2.671 187 HE21 GLN 29 1HE2 GLN 29 1.177 16.681 -4.152 188 HE22 GLN 29 2HE2 GLN 29 -0.042 16.888 -5.358 189 HA PRO 30 HA PRO 30 -2.839 12.370 0.148 190 HB2 PRO 30 1HB PRO 30 -4.409 11.887 -2.013 191 HB3 PRO 30 2HB PRO 30 -4.802 13.105 -0.794 192 HG2 PRO 30 1HG PRO 30 -3.533 13.456 -3.482 193 HG3 PRO 30 2HG PRO 30 -4.793 14.431 -2.704 194 HD2 PRO 30 1HD PRO 30 -2.193 15.186 -2.759 195 HD3 PRO 30 2HD PRO 30 -3.276 15.588 -1.410 196 H LEU 31 H LEU 31 -2.298 10.263 -0.017 197 HA LEU 31 HA LEU 31 -0.197 9.452 -1.709 198 HB2 LEU 31 1HB LEU 31 -2.146 7.827 -0.082 199 HB3 LEU 31 2HB LEU 31 -0.715 7.167 -0.872 200 HG LEU 31 HG LEU 31 -0.568 9.330 1.216 201 HD11 LEU 31 1HD1 LEU 31 -0.099 7.630 2.854 202 HD12 LEU 31 2HD1 LEU 31 -0.282 6.361 1.644 203 HD13 LEU 31 3HD1 LEU 31 -1.678 7.320 2.133 204 HD21 LEU 31 1HD2 LEU 31 1.345 7.755 -0.371 205 HD22 LEU 31 2HD2 LEU 31 1.728 7.913 1.343 206 HD23 LEU 31 3HD2 LEU 31 1.510 9.356 0.351 207 H VAL 32 H VAL 32 -0.521 9.503 -3.863 208 HA VAL 32 HA VAL 32 -2.819 7.990 -4.926 209 HB VAL 32 HB VAL 32 -2.611 9.373 -6.978 210 HG11 VAL 32 1HG1 VAL 32 -3.070 10.939 -4.440 211 HG12 VAL 32 2HG1 VAL 32 -3.650 11.377 -6.048 212 HG13 VAL 32 3HG1 VAL 32 -4.257 9.922 -5.256 213 HG21 VAL 32 1HG2 VAL 32 -1.285 11.643 -6.046 214 HG22 VAL 32 2HG2 VAL 32 -0.241 10.290 -5.611 215 HG23 VAL 32 3HG2 VAL 32 -0.730 10.522 -7.290 216 H ILE 33 H ILE 33 -2.410 7.063 -7.131 217 HA ILE 33 HA ILE 33 0.055 5.560 -7.060 218 HB ILE 33 HB ILE 33 -2.238 5.473 -9.023 219 HG12 ILE 33 1HG1 ILE 33 -1.507 3.516 -6.838 220 HG13 ILE 33 2HG1 ILE 33 -2.718 4.780 -6.650 221 HG21 ILE 33 1HG2 ILE 33 -0.901 4.282 -10.336 222 HG22 ILE 33 2HG2 ILE 33 0.397 4.341 -9.145 223 HG23 ILE 33 3HG2 ILE 33 -0.815 3.063 -9.065 224 HD11 ILE 33 1HD1 ILE 33 -3.212 3.228 -9.023 225 HD12 ILE 33 2HD1 ILE 33 -3.112 2.200 -7.593 226 HD13 ILE 33 3HD1 ILE 33 -4.259 3.539 -7.638 227 H THR 34 H THR 34 1.793 5.794 -8.348 228 HA THR 34 HA THR 34 1.952 8.180 -9.984 229 HB THR 34 HB THR 34 4.206 8.063 -9.763 230 HG1 THR 34 1HG THR 34 5.226 5.837 -9.596 231 HG21 THR 34 1HG2 THR 34 4.088 5.977 -7.695 232 HG22 THR 34 2HG2 THR 34 2.922 7.285 -7.493 233 HG23 THR 34 3HG2 THR 34 4.645 7.646 -7.591 234 H ARG 35 H ARG 35 2.293 4.674 -10.433 235 HA ARG 35 HA ARG 35 1.464 4.962 -13.201 236 HB2 ARG 35 1HB ARG 35 4.103 3.691 -12.452 237 HB3 ARG 35 2HB ARG 35 3.369 3.630 -14.049 238 HG2 ARG 35 1HG ARG 35 3.985 6.242 -12.719 239 HG3 ARG 35 2HG ARG 35 5.211 5.353 -13.625 240 HD2 ARG 35 1HD ARG 35 2.528 6.169 -14.732 241 HD3 ARG 35 2HD ARG 35 4.016 7.088 -14.955 242 HE ARG 35 HE ARG 35 4.791 5.449 -16.417 243 HH11 ARG 35 2HH1 ARG 35 1.725 4.561 -15.028 244 HH12 ARG 35 1HH1 ARG 35 1.430 3.290 -16.167 245 HH21 ARG 35 2HH2 ARG 35 4.414 3.778 -17.922 246 HH22 ARG 35 1HH2 ARG 35 2.960 2.844 -17.813 247 H ILE 36 H ILE 36 1.077 2.826 -14.230 248 HA ILE 36 HA ILE 36 0.560 0.698 -12.269 249 HB ILE 36 HB ILE 36 -1.380 1.730 -14.336 250 HG12 ILE 36 1HG1 ILE 36 -1.373 2.956 -12.215 251 HG13 ILE 36 2HG1 ILE 36 -2.859 2.030 -12.392 252 HG21 ILE 36 1HG2 ILE 36 -1.054 -0.933 -13.259 253 HG22 ILE 36 2HG2 ILE 36 -2.639 -0.264 -12.872 254 HG23 ILE 36 3HG2 ILE 36 -2.108 -0.362 -14.551 255 HD11 ILE 36 1HD1 ILE 36 -2.180 1.766 -10.160 256 HD12 ILE 36 2HD1 ILE 36 -1.764 0.256 -10.970 257 HD13 ILE 36 3HD1 ILE 36 -0.509 1.446 -10.624 258 H THR 37 H THR 37 1.327 -1.211 -12.884 259 HA THR 37 HA THR 37 2.734 -1.580 -15.287 260 HB THR 37 HB THR 37 1.636 -3.776 -13.525 261 HG1 THR 37 1HG THR 37 4.107 -2.368 -13.300 262 HG21 THR 37 1HG2 THR 37 2.546 -4.943 -15.255 263 HG22 THR 37 2HG2 THR 37 4.027 -4.655 -14.341 264 HG23 THR 37 3HG2 THR 37 3.625 -3.628 -15.718 265 HA PRO 38 HA PRO 38 -0.755 -2.338 -17.964 266 HB2 PRO 38 1HB PRO 38 0.716 -2.756 -20.207 267 HB3 PRO 38 2HB PRO 38 0.398 -1.145 -19.553 268 HG2 PRO 38 1HG PRO 38 2.834 -2.861 -19.263 269 HG3 PRO 38 2HG PRO 38 2.723 -1.120 -19.581 270 HD2 PRO 38 1HD PRO 38 3.250 -2.121 -17.121 271 HD3 PRO 38 2HD PRO 38 2.348 -0.611 -17.365 272 H GLY 39 H GLY 39 -1.751 -4.247 -17.692 273 HA2 GLY 39 1HA GLY 39 -2.236 -6.470 -18.080 274 HA3 GLY 39 2HA GLY 39 -0.756 -6.581 -19.021 275 H SER 40 H SER 40 -1.780 -6.201 -15.628 276 HA SER 40 HA SER 40 -0.379 -8.524 -14.786 277 HB2 SER 40 1HB SER 40 1.540 -7.701 -13.828 278 HB3 SER 40 2HB SER 40 1.386 -6.560 -15.163 279 HG SER 40 HG SER 40 0.224 -5.196 -13.639 280 H LYS 41 H LYS 41 -0.039 -8.201 -12.177 281 HA LYS 41 HA LYS 41 -2.567 -8.285 -11.073 282 HB2 LYS 41 1HB LYS 41 -0.047 -7.470 -9.616 283 HB3 LYS 41 2HB LYS 41 -1.494 -8.168 -8.901 284 HG2 LYS 41 1HG LYS 41 -0.101 -9.705 -11.026 285 HG3 LYS 41 2HG LYS 41 0.637 -9.624 -9.425 286 HD2 LYS 41 1HD LYS 41 -1.303 -10.573 -8.404 287 HD3 LYS 41 2HD LYS 41 -2.226 -10.439 -9.903 288 HE2 LYS 41 1HE LYS 41 0.228 -12.154 -9.542 289 HE3 LYS 41 2HE LYS 41 -1.430 -12.741 -9.426 290 HZ1 LYS 41 1HZ LYS 41 -1.544 -11.578 -11.786 291 HZ2 LYS 41 2HZ LYS 41 -1.050 -13.185 -11.595 292 HZ3 LYS 41 3HZ LYS 41 0.104 -11.962 -11.779 293 H ALA 42 H ALA 42 -0.585 -5.533 -11.783 294 HA ALA 42 HA ALA 42 -1.972 -3.690 -10.085 295 HB1 ALA 42 1HB ALA 42 -0.786 -1.983 -11.579 296 HB2 ALA 42 2HB ALA 42 0.217 -3.058 -10.605 297 HB3 ALA 42 3HB ALA 42 -0.003 -3.375 -12.326 298 H ALA 43 H ALA 43 -1.706 -3.574 -13.633 299 HA ALA 43 HA ALA 43 -4.004 -2.026 -14.012 300 HB1 ALA 43 1HB ALA 43 -3.825 -3.197 -16.395 301 HB2 ALA 43 2HB ALA 43 -2.697 -1.947 -15.868 302 HB3 ALA 43 3HB ALA 43 -2.244 -3.648 -15.758 303 H ALA 44 H ALA 44 -3.550 -5.543 -14.274 304 HA ALA 44 HA ALA 44 -6.071 -6.279 -15.125 305 HB1 ALA 44 1HB ALA 44 -5.631 -8.456 -14.184 306 HB2 ALA 44 2HB ALA 44 -4.149 -7.812 -14.891 307 HB3 ALA 44 3HB ALA 44 -4.374 -7.788 -13.142 308 H ALA 45 H ALA 45 -5.184 -4.851 -12.163 309 HA ALA 45 HA ALA 45 -7.619 -5.766 -10.815 310 HB1 ALA 45 1HB ALA 45 -6.075 -5.918 -9.181 311 HB2 ALA 45 2HB ALA 45 -5.017 -4.715 -9.919 312 HB3 ALA 45 3HB ALA 45 -6.419 -4.200 -8.981 313 H ASN 46 H ASN 46 -7.458 -3.778 -13.078 314 HA ASN 46 HA ASN 46 -8.431 -1.819 -13.705 315 HB2 ASN 46 1HB ASN 46 -10.019 -1.940 -11.146 316 HB3 ASN 46 2HB ASN 46 -10.504 -1.272 -12.702 317 HD21 ASN 46 1HD2 ASN 46 -11.968 -2.455 -13.668 318 HD22 ASN 46 2HD2 ASN 46 -12.082 -4.178 -13.630 319 H LEU 47 H LEU 47 -6.001 -1.563 -12.344 320 HA LEU 47 HA LEU 47 -6.325 0.675 -10.503 321 HB2 LEU 47 1HB LEU 47 -3.913 -0.890 -11.396 322 HB3 LEU 47 2HB LEU 47 -3.832 0.496 -10.310 323 HG LEU 47 HG LEU 47 -5.392 -2.010 -9.699 324 HD11 LEU 47 1HD1 LEU 47 -2.633 -1.815 -9.866 325 HD12 LEU 47 2HD1 LEU 47 -3.554 -3.040 -8.994 326 HD13 LEU 47 3HD1 LEU 47 -2.983 -1.601 -8.150 327 HD21 LEU 47 1HD2 LEU 47 -5.933 -1.058 -7.738 328 HD22 LEU 47 2HD2 LEU 47 -5.602 0.454 -8.583 329 HD23 LEU 47 3HD2 LEU 47 -4.361 -0.277 -7.564 330 H CYS 48 H CYS 48 -5.189 2.675 -10.810 331 HA CYS 48 HA CYS 48 -4.075 3.296 -13.392 332 HB2 CYS 48 1HB CYS 48 -6.241 3.641 -14.164 333 HB3 CYS 48 2HB CYS 48 -6.815 4.215 -12.603 334 HG CYS 48 HG CYS 48 -6.276 6.746 -12.917 335 HA PRO 49 HA PRO 49 -1.846 6.127 -10.866 336 HB2 PRO 49 1HB PRO 49 -0.866 7.752 -12.808 337 HB3 PRO 49 2HB PRO 49 -0.255 6.118 -12.524 338 HG2 PRO 49 1HG PRO 49 -2.204 7.079 -14.582 339 HG3 PRO 49 2HG PRO 49 -0.857 5.941 -14.763 340 HD2 PRO 49 1HD PRO 49 -3.427 5.128 -14.513 341 HD3 PRO 49 2HD PRO 49 -2.061 4.181 -13.889 342 H GLY 50 H GLY 50 -3.245 7.330 -9.648 343 HA2 GLY 50 1HA GLY 50 -3.591 9.940 -9.764 344 HA3 GLY 50 2HA GLY 50 -4.802 9.444 -10.937 345 H ASP 51 H ASP 51 -5.043 6.927 -9.117 346 HA ASP 51 HA ASP 51 -7.386 7.733 -7.789 347 HB2 ASP 51 1HB ASP 51 -5.686 5.285 -7.792 348 HB3 ASP 51 2HB ASP 51 -6.855 5.473 -6.488 349 H VAL 52 H VAL 52 -7.839 8.032 -5.592 350 HA VAL 52 HA VAL 52 -5.555 9.015 -4.040 351 HB VAL 52 HB VAL 52 -8.516 9.523 -3.832 352 HG11 VAL 52 1HG1 VAL 52 -6.361 10.314 -1.876 353 HG12 VAL 52 2HG1 VAL 52 -8.010 10.944 -1.876 354 HG13 VAL 52 3HG1 VAL 52 -7.718 9.231 -1.570 355 HG21 VAL 52 1HG2 VAL 52 -6.118 11.055 -4.677 356 HG22 VAL 52 2HG2 VAL 52 -7.752 11.053 -5.341 357 HG23 VAL 52 3HG2 VAL 52 -7.406 11.935 -3.854 358 H ILE 53 H ILE 53 -4.691 7.592 -2.684 359 HA ILE 53 HA ILE 53 -6.061 5.285 -1.739 360 HB ILE 53 HB ILE 53 -3.485 6.486 -0.715 361 HG12 ILE 53 1HG1 ILE 53 -3.779 5.773 -3.236 362 HG13 ILE 53 2HG1 ILE 53 -2.323 5.341 -2.347 363 HG21 ILE 53 1HG2 ILE 53 -3.307 3.792 -0.365 364 HG22 ILE 53 2HG2 ILE 53 -3.779 4.943 0.885 365 HG23 ILE 53 3HG2 ILE 53 -5.015 4.083 -0.034 366 HD11 ILE 53 1HD1 ILE 53 -4.505 3.387 -2.189 367 HD12 ILE 53 2HD1 ILE 53 -3.797 3.610 -3.789 368 HD13 ILE 53 3HD1 ILE 53 -2.774 3.149 -2.428 369 H LEU 54 H LEU 54 -7.802 5.654 -0.471 370 HA LEU 54 HA LEU 54 -7.864 7.679 1.548 371 HB2 LEU 54 1HB LEU 54 -9.693 5.342 1.024 372 HB3 LEU 54 2HB LEU 54 -10.012 6.625 2.189 373 HG LEU 54 HG LEU 54 -9.590 7.287 -0.699 374 HD11 LEU 54 1HD1 LEU 54 -11.427 5.438 -0.116 375 HD12 LEU 54 2HD1 LEU 54 -11.665 6.671 -1.354 376 HD13 LEU 54 3HD1 LEU 54 -12.360 6.890 0.252 377 HD21 LEU 54 1HD2 LEU 54 -11.575 8.637 1.018 378 HD22 LEU 54 2HD2 LEU 54 -10.442 9.308 -0.155 379 HD23 LEU 54 3HD2 LEU 54 -9.881 8.859 1.456 380 H ALA 55 H ALA 55 -7.489 4.158 1.551 381 HA ALA 55 HA ALA 55 -6.200 4.331 4.158 382 HB1 ALA 55 1HB ALA 55 -8.163 3.781 5.139 383 HB2 ALA 55 2HB ALA 55 -8.818 3.049 3.673 384 HB3 ALA 55 3HB ALA 55 -7.670 2.153 4.670 385 H ILE 56 H ILE 56 -4.764 2.651 4.584 386 HA ILE 56 HA ILE 56 -4.226 0.883 2.289 387 HB ILE 56 HB ILE 56 -2.322 2.024 4.333 388 HG12 ILE 56 1HG1 ILE 56 -2.330 2.294 1.323 389 HG13 ILE 56 2HG1 ILE 56 -3.062 3.473 2.406 390 HG21 ILE 56 1HG2 ILE 56 -2.022 -0.223 2.399 391 HG22 ILE 56 2HG2 ILE 56 -0.641 0.824 2.721 392 HG23 ILE 56 3HG2 ILE 56 -1.404 -0.060 4.042 393 HD11 ILE 56 1HD1 ILE 56 -0.274 2.787 3.009 394 HD12 ILE 56 2HD1 ILE 56 -0.540 3.620 1.477 395 HD13 ILE 56 3HD1 ILE 56 -1.086 4.353 2.985 396 H ASP 57 H ASP 57 -4.427 -1.233 2.589 397 HA ASP 57 HA ASP 57 -4.875 -3.226 3.604 398 HB2 ASP 57 1HB ASP 57 -2.430 -2.883 4.106 399 HB3 ASP 57 2HB ASP 57 -2.906 -2.266 5.686 400 H GLY 58 H GLY 58 -6.570 -0.977 4.344 401 HA2 GLY 58 1HA GLY 58 -8.458 -0.873 5.700 402 HA3 GLY 58 2HA GLY 58 -7.801 -2.184 6.669 403 H PHE 59 H PHE 59 -6.239 0.886 5.876 404 HA PHE 59 HA PHE 59 -6.704 1.920 8.544 405 HB2 PHE 59 1HB PHE 59 -3.876 1.436 7.588 406 HB3 PHE 59 2HB PHE 59 -4.364 2.127 9.132 407 HD1 PHE 59 2HD PHE 59 -5.827 0.620 10.649 408 HD2 PHE 59 1HD PHE 59 -3.452 -0.826 7.426 409 HE1 PHE 59 2HE PHE 59 -5.841 -1.628 11.651 410 HE2 PHE 59 1HE PHE 59 -3.463 -3.075 8.422 411 HZ PHE 59 HZ PHE 59 -4.658 -3.478 10.538 412 H GLY 60 H GLY 60 -7.424 3.889 8.045 413 HA2 GLY 60 1HA GLY 60 -7.022 5.332 5.741 414 HA3 GLY 60 2HA GLY 60 -7.385 6.064 7.297 415 H THR 61 H THR 61 -5.662 6.985 5.077 416 HA THR 61 HA THR 61 -2.996 6.897 6.268 417 HB THR 61 HB THR 61 -2.160 7.827 4.251 418 HG1 THR 61 1HG THR 61 -3.549 9.436 3.715 419 HG21 THR 61 1HG2 THR 61 -2.400 5.830 3.294 420 HG22 THR 61 2HG2 THR 61 -3.949 6.363 2.641 421 HG23 THR 61 3HG2 THR 61 -3.885 5.539 4.198 422 H GLU 62 H GLU 62 -4.993 8.280 7.733 423 HA GLU 62 HA GLU 62 -4.756 11.098 7.254 424 HB2 GLU 62 1HB GLU 62 -5.985 11.349 9.357 425 HB3 GLU 62 2HB GLU 62 -6.757 10.168 8.308 426 HG2 GLU 62 1HG GLU 62 -6.076 8.370 9.629 427 HG3 GLU 62 2HG GLU 62 -4.851 9.328 10.459 428 H SER 63 H SER 63 -3.015 8.722 9.076 429 HA SER 63 HA SER 63 -1.203 10.832 10.028 430 HB2 SER 63 1HB SER 63 -0.952 9.757 12.170 431 HB3 SER 63 2HB SER 63 -2.675 10.002 11.886 432 HG SER 63 HG SER 63 -2.946 7.924 11.941 433 H MET 64 H MET 64 -1.263 8.782 7.792 434 HA MET 64 HA MET 64 1.258 7.411 8.456 435 HB2 MET 64 1HB MET 64 -0.104 5.637 7.958 436 HB3 MET 64 2HB MET 64 -1.122 6.582 6.879 437 HG2 MET 64 1HG MET 64 0.305 6.311 5.081 438 HG3 MET 64 2HG MET 64 1.687 5.931 6.107 439 HE1 MET 64 1HE MET 64 -1.835 4.739 6.529 440 HE2 MET 64 2HE MET 64 -1.887 4.235 4.839 441 HE3 MET 64 3HE MET 64 -1.825 3.023 6.120 442 H THR 65 H THR 65 2.893 8.576 7.669 443 HA THR 65 HA THR 65 2.640 10.256 5.365 444 HB THR 65 HB THR 65 4.934 10.846 5.699 445 HG1 THR 65 1HG THR 65 5.056 8.562 7.403 446 HG21 THR 65 1HG2 THR 65 4.968 11.280 8.207 447 HG22 THR 65 2HG2 THR 65 3.429 10.421 8.271 448 HG23 THR 65 3HG2 THR 65 3.575 11.898 7.320 449 H HIS 66 H HIS 66 4.271 10.108 3.556 450 HA HIS 66 HA HIS 66 3.868 7.908 1.983 451 HB2 HIS 66 1HB HIS 66 4.989 10.201 1.451 452 HB3 HIS 66 2HB HIS 66 6.491 9.360 1.828 453 HD1 HIS 66 1HD HIS 66 3.455 8.556 -0.339 454 HD2 HIS 66 2HD HIS 66 7.606 8.431 -0.438 455 HE1 HIS 66 1HE HIS 66 4.046 7.649 -2.609 456 HE2 HIS 66 2HE HIS 66 6.560 7.502 -2.614 457 H ALA 67 H ALA 67 6.700 8.505 4.055 458 HA ALA 67 HA ALA 67 8.086 6.152 3.490 459 HB1 ALA 67 1HB ALA 67 9.446 6.648 5.310 460 HB2 ALA 67 2HB ALA 67 8.828 8.226 4.822 461 HB3 ALA 67 3HB ALA 67 8.130 7.399 6.213 462 H ASP 68 H ASP 68 5.611 6.814 5.934 463 HA ASP 68 HA ASP 68 5.735 4.338 7.256 464 HB2 ASP 68 1HB ASP 68 3.585 6.423 6.977 465 HB3 ASP 68 2HB ASP 68 3.287 4.924 7.854 466 H ALA 69 H ALA 69 3.880 5.412 4.451 467 HA ALA 69 HA ALA 69 2.183 3.232 4.150 468 HB1 ALA 69 1HB ALA 69 1.740 5.079 2.790 469 HB2 ALA 69 2HB ALA 69 3.390 5.135 2.170 470 HB3 ALA 69 3HB ALA 69 2.302 3.842 1.665 471 H GLN 70 H GLN 70 5.525 3.662 3.087 472 HA GLN 70 HA GLN 70 5.756 1.368 1.507 473 HB2 GLN 70 1HB GLN 70 7.935 2.587 3.207 474 HB3 GLN 70 2HB GLN 70 8.145 1.603 1.765 475 HG2 GLN 70 1HG GLN 70 6.654 4.194 1.655 476 HG3 GLN 70 2HG GLN 70 8.415 4.150 1.581 477 HE21 GLN 70 1HE2 GLN 70 7.607 5.220 -0.530 478 HE22 GLN 70 2HE2 GLN 70 7.469 4.156 -1.884 479 H ASP 71 H ASP 71 5.923 1.808 4.976 480 HA ASP 71 HA ASP 71 6.933 -0.823 5.516 481 HB2 ASP 71 1HB ASP 71 5.982 1.486 7.134 482 HB3 ASP 71 2HB ASP 71 5.936 -0.104 7.890 483 H ARG 72 H ARG 72 3.925 0.393 4.624 484 HA ARG 72 HA ARG 72 2.442 -1.754 5.953 485 HB2 ARG 72 1HB ARG 72 1.653 0.789 4.576 486 HB3 ARG 72 2HB ARG 72 0.478 -0.505 4.766 487 HG2 ARG 72 1HG ARG 72 2.000 0.389 7.158 488 HG3 ARG 72 2HG ARG 72 0.703 1.415 6.543 489 HD2 ARG 72 1HD ARG 72 -0.896 -0.349 6.786 490 HD3 ARG 72 2HD ARG 72 0.372 -1.513 7.169 491 HE ARG 72 HE ARG 72 -0.822 0.413 8.954 492 HH11 ARG 72 2HH1 ARG 72 1.906 -1.662 8.343 493 HH12 ARG 72 1HH1 ARG 72 2.377 -1.751 10.008 494 HH21 ARG 72 2HH2 ARG 72 -0.212 0.304 11.149 495 HH22 ARG 72 1HH2 ARG 72 1.171 -0.633 11.603 496 H ILE 73 H ILE 73 3.391 -0.602 2.774 497 HA ILE 73 HA ILE 73 1.850 -2.588 1.368 498 HB ILE 73 HB ILE 73 4.019 -0.725 0.398 499 HG12 ILE 73 1HG1 ILE 73 1.073 -0.568 -0.200 500 HG13 ILE 73 2HG1 ILE 73 1.755 0.184 1.239 501 HG21 ILE 73 1HG2 ILE 73 3.701 -2.873 -0.912 502 HG22 ILE 73 2HG2 ILE 73 2.094 -2.271 -1.314 503 HG23 ILE 73 3HG2 ILE 73 3.523 -1.368 -1.814 504 HD11 ILE 73 1HD1 ILE 73 2.104 0.901 -1.625 505 HD12 ILE 73 2HD1 ILE 73 1.778 1.932 -0.231 506 HD13 ILE 73 3HD1 ILE 73 3.394 1.272 -0.481 507 H LYS 74 H LYS 74 5.202 -2.161 2.364 508 HA LYS 74 HA LYS 74 6.227 -4.403 0.950 509 HB2 LYS 74 1HB LYS 74 8.252 -4.011 2.078 510 HB3 LYS 74 2HB LYS 74 7.526 -2.417 1.913 511 HG2 LYS 74 1HG LYS 74 6.673 -2.634 4.239 512 HG3 LYS 74 2HG LYS 74 7.579 -4.143 4.379 513 HD2 LYS 74 1HD LYS 74 8.888 -1.553 3.590 514 HD3 LYS 74 2HD LYS 74 8.691 -2.031 5.277 515 HE2 LYS 74 1HE LYS 74 10.032 -3.969 4.969 516 HE3 LYS 74 2HE LYS 74 10.026 -3.774 3.217 517 HZ1 LYS 74 1HZ LYS 74 12.065 -2.928 3.772 518 HZ2 LYS 74 2HZ LYS 74 11.540 -2.284 5.245 519 HZ3 LYS 74 3HZ LYS 74 11.137 -1.513 3.794 520 H ALA 75 H ALA 75 4.983 -3.930 4.219 521 HA ALA 75 HA ALA 75 5.449 -6.737 4.866 522 HB1 ALA 75 1HB ALA 75 6.014 -5.133 6.579 523 HB2 ALA 75 2HB ALA 75 4.380 -4.469 6.541 524 HB3 ALA 75 3HB ALA 75 4.650 -6.114 7.117 525 H ALA 76 H ALA 76 3.319 -5.474 2.976 526 HA ALA 76 HA ALA 76 0.765 -5.850 3.971 527 HB1 ALA 76 1HB ALA 76 0.341 -6.584 1.459 528 HB2 ALA 76 2HB ALA 76 0.700 -4.914 1.897 529 HB3 ALA 76 3HB ALA 76 1.977 -5.952 1.264 530 H SER 77 H SER 77 -0.650 -7.707 2.734 531 HA SER 77 HA SER 77 0.542 -10.260 3.602 532 HB2 SER 77 1HB SER 77 -2.347 -9.365 3.710 533 HB3 SER 77 2HB SER 77 -1.794 -10.996 4.089 534 HG SER 77 HG SER 77 -1.826 -9.996 6.017 535 H TYR 78 H TYR 78 -0.848 -12.154 2.591 536 HA TYR 78 HA TYR 78 -0.188 -12.538 0.018 537 HB2 TYR 78 1HB TYR 78 -1.131 -14.405 1.019 538 HB3 TYR 78 2HB TYR 78 -2.533 -13.515 1.601 539 HD1 TYR 78 2HD TYR 78 -1.055 -15.272 -1.252 540 HD2 TYR 78 1HD TYR 78 -4.453 -13.137 0.162 541 HE1 TYR 78 2HE TYR 78 -2.359 -16.086 -3.172 542 HE2 TYR 78 1HE TYR 78 -5.766 -13.946 -1.753 543 HH TYR 78 HH TYR 78 -4.756 -16.469 -3.739 544 H GLN 79 H GLN 79 -2.756 -10.498 1.150 545 HA GLN 79 HA GLN 79 -3.267 -9.672 -1.620 546 HB2 GLN 79 1HB GLN 79 -5.662 -9.470 -1.151 547 HB3 GLN 79 2HB GLN 79 -5.113 -11.129 -0.952 548 HG2 GLN 79 1HG GLN 79 -5.175 -10.955 1.414 549 HG3 GLN 79 2HG GLN 79 -5.430 -9.213 1.340 550 HE21 GLN 79 1HE2 GLN 79 -7.446 -8.469 1.332 551 HE22 GLN 79 2HE2 GLN 79 -8.868 -9.434 1.155 552 H LEU 80 H LEU 80 -3.331 -7.520 -1.930 553 HA LEU 80 HA LEU 80 -2.928 -5.821 0.418 554 HB2 LEU 80 1HB LEU 80 -1.329 -5.758 -1.496 555 HB3 LEU 80 2HB LEU 80 -2.631 -5.118 -2.497 556 HG LEU 80 HG LEU 80 -2.748 -3.163 -0.926 557 HD11 LEU 80 1HD1 LEU 80 -1.726 -4.077 1.030 558 HD12 LEU 80 2HD1 LEU 80 -0.704 -2.766 0.443 559 HD13 LEU 80 3HD1 LEU 80 -0.242 -4.442 0.149 560 HD21 LEU 80 1HD2 LEU 80 -0.326 -3.772 -2.583 561 HD22 LEU 80 2HD2 LEU 80 -0.498 -2.224 -1.755 562 HD23 LEU 80 3HD2 LEU 80 -1.694 -2.722 -2.953 563 H CYS 81 H CYS 81 -4.575 -4.718 1.223 564 HA CYS 81 HA CYS 81 -6.913 -4.214 -0.476 565 HB2 CYS 81 1HB CYS 81 -6.974 -5.408 1.860 566 HB3 CYS 81 2HB CYS 81 -6.897 -3.765 2.486 567 HG CYS 81 HG CYS 81 -9.239 -4.252 0.134 568 H LEU 82 H LEU 82 -6.751 -2.306 -1.477 569 HA LEU 82 HA LEU 82 -5.920 0.026 0.122 570 HB2 LEU 82 1HB LEU 82 -5.697 -0.309 -2.864 571 HB3 LEU 82 2HB LEU 82 -5.122 1.057 -1.912 572 HG LEU 82 HG LEU 82 -4.039 -1.729 -1.566 573 HD11 LEU 82 1HD1 LEU 82 -2.092 -0.389 -2.892 574 HD12 LEU 82 2HD1 LEU 82 -3.537 0.233 -3.689 575 HD13 LEU 82 3HD1 LEU 82 -3.232 -1.503 -3.647 576 HD21 LEU 82 1HD2 LEU 82 -2.256 0.474 -1.058 577 HD22 LEU 82 2HD2 LEU 82 -2.764 -0.830 0.016 578 HD23 LEU 82 3HD2 LEU 82 -3.736 0.637 -0.113 579 H LYS 83 H LYS 83 -7.311 1.675 0.305 580 HA LYS 83 HA LYS 83 -9.893 1.434 -1.041 581 HB2 LYS 83 1HB LYS 83 -9.641 1.777 1.477 582 HB3 LYS 83 2HB LYS 83 -9.153 3.424 1.099 583 HG2 LYS 83 1HG LYS 83 -11.362 3.786 1.424 584 HG3 LYS 83 2HG LYS 83 -11.417 3.364 -0.289 585 HD2 LYS 83 1HD LYS 83 -12.394 1.343 0.102 586 HD3 LYS 83 2HD LYS 83 -11.604 1.142 1.668 587 HE2 LYS 83 1HE LYS 83 -13.753 3.192 1.216 588 HE3 LYS 83 2HE LYS 83 -14.130 1.528 1.658 589 HZ1 LYS 83 1HZ LYS 83 -13.028 1.761 3.702 590 HZ2 LYS 83 2HZ LYS 83 -13.948 3.171 3.539 591 HZ3 LYS 83 3HZ LYS 83 -12.282 3.209 3.247 592 H ILE 84 H ILE 84 -10.733 2.962 -2.397 593 HA ILE 84 HA ILE 84 -9.061 5.304 -3.005 594 HB ILE 84 HB ILE 84 -9.658 5.015 -5.419 595 HG12 ILE 84 1HG1 ILE 84 -10.098 2.405 -5.840 596 HG13 ILE 84 2HG1 ILE 84 -10.910 2.566 -4.286 597 HG21 ILE 84 1HG2 ILE 84 -7.975 2.937 -4.039 598 HG22 ILE 84 2HG2 ILE 84 -8.014 3.138 -5.790 599 HG23 ILE 84 3HG2 ILE 84 -7.451 4.457 -4.764 600 HD11 ILE 84 1HD1 ILE 84 -12.303 4.350 -5.210 601 HD12 ILE 84 2HD1 ILE 84 -11.499 4.159 -6.769 602 HD13 ILE 84 3HD1 ILE 84 -12.472 2.843 -6.111 603 H ASP 85 H ASP 85 -10.165 7.130 -3.782 604 HA ASP 85 HA ASP 85 -13.047 7.104 -3.202 605 HB2 ASP 85 1HB ASP 85 -11.449 8.643 -1.918 606 HB3 ASP 85 2HB ASP 85 -11.320 9.564 -3.414 607 H ARG 86 H ARG 86 -12.051 6.166 -5.703 608 HA ARG 86 HA ARG 86 -12.072 6.591 -7.978 609 HB2 ARG 86 1HB ARG 86 -14.351 7.065 -8.740 610 HB3 ARG 86 2HB ARG 86 -14.354 5.906 -7.417 611 HG2 ARG 86 1HG ARG 86 -15.357 7.349 -5.966 612 HG3 ARG 86 2HG ARG 86 -14.686 8.780 -6.753 613 HD2 ARG 86 1HD ARG 86 -16.211 8.153 -8.725 614 HD3 ARG 86 2HD ARG 86 -17.038 7.107 -7.572 615 HE ARG 86 HE ARG 86 -16.915 9.557 -6.351 616 HH11 ARG 86 2HH1 ARG 86 -18.192 8.325 -9.346 617 HH12 ARG 86 1HH1 ARG 86 -19.469 9.492 -9.433 618 HH21 ARG 86 2HH2 ARG 86 -18.592 11.099 -6.454 619 HH22 ARG 86 1HH2 ARG 86 -19.695 11.070 -7.788 620 H ALA 87 H ALA 87 -10.595 8.591 -6.932 621 HA ALA 87 HA ALA 87 -11.571 11.202 -7.437 622 HB1 ALA 87 1HB ALA 87 -8.670 10.791 -7.676 623 HB2 ALA 87 2HB ALA 87 -9.582 11.902 -6.654 624 HB3 ALA 87 3HB ALA 87 -9.392 10.216 -6.173 625 H GLU 88 H GLU 88 -12.249 11.798 -9.398 626 HA GLU 88 HA GLU 88 -10.975 10.773 -11.793 627 HB2 GLU 88 1HB GLU 88 -12.734 12.020 -12.989 628 HB3 GLU 88 2HB GLU 88 -13.398 10.946 -11.766 629 HG2 GLU 88 1HG GLU 88 -13.701 12.827 -10.255 630 HG3 GLU 88 2HG GLU 88 -13.001 13.913 -11.454 631 H THR 89 H THR 89 -11.413 13.888 -10.166 632 HA THR 89 HA THR 89 -9.217 14.960 -11.812 633 HB THR 89 HB THR 89 -11.402 16.722 -10.737 634 HG1 THR 89 1HG THR 89 -12.530 16.434 -12.634 635 HG21 THR 89 1HG2 THR 89 -8.984 17.184 -12.065 636 HG22 THR 89 2HG2 THR 89 -10.280 18.346 -11.776 637 HG23 THR 89 3HG2 THR 89 -10.238 17.428 -13.281 638 H ARG 90 H ARG 90 -10.314 14.202 -8.745 639 HA ARG 90 HA ARG 90 -9.672 14.739 -6.621 640 HB2 ARG 90 1HB ARG 90 -7.134 14.975 -8.216 641 HB3 ARG 90 2HB ARG 90 -7.140 15.249 -6.479 642 HG2 ARG 90 1HG ARG 90 -7.979 13.002 -6.104 643 HG3 ARG 90 2HG ARG 90 -8.046 12.723 -7.845 644 HD2 ARG 90 1HD ARG 90 -5.540 13.370 -6.297 645 HD3 ARG 90 2HD ARG 90 -6.042 11.745 -6.763 646 HE ARG 90 HE ARG 90 -5.417 12.194 -8.940 647 HH11 ARG 90 2HH1 ARG 90 -5.293 15.099 -7.025 648 HH12 ARG 90 1HH1 ARG 90 -4.441 16.010 -8.227 649 HH21 ARG 90 2HH2 ARG 90 -4.295 13.384 -10.530 650 HH22 ARG 90 1HH2 ARG 90 -3.874 15.034 -10.220 651 H LEU 91 H LEU 91 -11.047 16.813 -7.661 652 HA LEU 91 HA LEU 91 -9.501 19.251 -7.263 653 HB2 LEU 91 1HB LEU 91 -11.170 18.955 -9.129 654 HB3 LEU 91 2HB LEU 91 -12.432 19.003 -7.900 655 HG LEU 91 HG LEU 91 -11.388 21.300 -7.283 656 HD11 LEU 91 1HD1 LEU 91 -10.378 20.923 -10.098 657 HD12 LEU 91 2HD1 LEU 91 -9.398 21.130 -8.646 658 HD13 LEU 91 3HD1 LEU 91 -10.409 22.455 -9.223 659 HD21 LEU 91 1HD2 LEU 91 -13.530 21.470 -8.046 660 HD22 LEU 91 2HD2 LEU 91 -13.194 20.571 -9.527 661 HD23 LEU 91 3HD2 LEU 91 -12.685 22.254 -9.381 662 H TRP 92 H TRP 92 -10.215 20.915 -5.798 663 HA TRP 92 HA TRP 92 -10.398 20.319 -3.202 664 HB2 TRP 92 1HB TRP 92 -10.381 22.633 -4.336 665 HB3 TRP 92 2HB TRP 92 -12.139 22.531 -4.271 666 HD1 TRP 92 HD TRP 92 -12.310 21.189 -1.333 667 HE1 TRP 92 1HE TRP 92 -11.837 22.670 0.718 668 HE3 TRP 92 3HE TRP 92 -9.649 24.910 -3.615 669 HZ2 TRP 92 2HZ TRP 92 -10.512 25.095 1.292 670 HZ3 TRP 92 3HZ TRP 92 -8.815 26.775 -2.244 671 HH2 TRP 92 HH TRP 92 -9.239 26.864 0.159 672 H SER 93 H SER 93 -11.584 18.552 -2.599 673 HA SER 93 HA SER 93 -14.392 18.980 -2.157 674 HB2 SER 93 1HB SER 93 -14.622 18.144 -4.386 675 HB3 SER 93 2HB SER 93 -13.461 16.851 -4.089 676 HG SER 93 HG SER 93 -16.041 16.697 -3.838 677 HA PRO 94 HA PRO 94 -13.407 16.523 1.357 678 HB2 PRO 94 1HB PRO 94 -15.917 15.812 2.108 679 HB3 PRO 94 2HB PRO 94 -15.273 17.442 2.334 680 HG2 PRO 94 1HG PRO 94 -17.074 16.399 0.183 681 HG3 PRO 94 2HG PRO 94 -17.169 17.927 1.079 682 HD2 PRO 94 1HD PRO 94 -16.148 17.767 -1.424 683 HD3 PRO 94 2HD PRO 94 -15.560 18.938 -0.226 684 H GLN 95 H GLN 95 -13.918 14.328 2.310 685 HA GLN 95 HA GLN 95 -13.847 12.359 0.160 686 HB2 GLN 95 1HB GLN 95 -13.331 10.832 2.229 687 HB3 GLN 95 2HB GLN 95 -12.095 11.906 1.588 688 HG2 GLN 95 1HG GLN 95 -13.888 12.793 3.809 689 HG3 GLN 95 2HG GLN 95 -12.467 11.801 4.130 690 HE21 GLN 95 1HE2 GLN 95 -13.458 14.809 4.323 691 HE22 GLN 95 2HE2 GLN 95 -12.012 15.673 3.938 692 H VAL 96 H VAL 96 -16.049 12.315 -0.407 693 HA VAL 96 HA VAL 96 -18.058 11.695 1.563 694 HB VAL 96 HB VAL 96 -18.537 11.382 -1.371 695 HG11 VAL 96 1HG1 VAL 96 -20.343 12.880 0.426 696 HG12 VAL 96 2HG1 VAL 96 -20.715 11.715 -0.847 697 HG13 VAL 96 3HG1 VAL 96 -20.174 11.152 0.735 698 HG21 VAL 96 1HG2 VAL 96 -17.560 13.795 -0.071 699 HG22 VAL 96 2HG2 VAL 96 -17.724 13.422 -1.787 700 HG23 VAL 96 3HG2 VAL 96 -19.109 14.032 -0.881 701 H SER 97 H SER 97 -15.788 9.905 -0.157 702 HA SER 97 HA SER 97 -17.319 7.518 -0.557 703 HB2 SER 97 1HB SER 97 -14.382 8.171 -0.683 704 HB3 SER 97 2HB SER 97 -14.954 6.509 -0.827 705 HG SER 97 HG SER 97 -16.262 7.229 -2.590 706 H SER 98 H SER 98 -14.886 8.548 1.819 707 HA SER 98 HA SER 98 -14.602 6.287 3.323 708 HB2 SER 98 1HB SER 98 -14.676 9.189 4.116 709 HB3 SER 98 2HB SER 98 -14.404 7.927 5.318 710 HG SER 98 HG SER 98 -12.756 7.271 3.514 711 H GLY 99 H GLY 99 -16.252 4.955 3.800 712 HA2 GLY 99 1HA GLY 99 -18.891 5.454 4.198 713 HA3 GLY 99 2HA GLY 99 -18.032 4.180 5.051 714 HA PRO 100 HA PRO 100 -19.095 8.068 7.773 715 HB2 PRO 100 1HB PRO 100 -21.798 8.035 8.025 716 HB3 PRO 100 2HB PRO 100 -20.959 8.989 6.796 717 HG2 PRO 100 1HG PRO 100 -22.301 6.325 6.537 718 HG3 PRO 100 2HG PRO 100 -22.355 7.717 5.439 719 HD2 PRO 100 1HD PRO 100 -20.770 5.568 4.990 720 HD3 PRO 100 2HD PRO 100 -20.315 7.211 4.494 721 H SER 101 H SER 101 -19.557 4.799 7.640 722 HA SER 101 HA SER 101 -21.021 3.861 9.660 723 HB2 SER 101 1HB SER 101 -19.345 2.563 8.274 724 HB3 SER 101 2HB SER 101 -18.110 3.082 9.421 725 HG SER 101 HG SER 101 -20.453 1.608 10.058 726 H SER 102 H SER 102 -21.367 4.404 11.699 727 HA SER 102 HA SER 102 -19.351 5.965 13.129 728 HB2 SER 102 1HB SER 102 -21.116 6.581 14.650 729 HB3 SER 102 2HB SER 102 -21.734 6.749 13.007 730 HG SER 102 HG SER 102 -22.646 5.203 15.006 731 H GLY 103 H GLY 103 -18.560 5.397 15.164 732 HA2 GLY 103 1HA GLY 103 -19.350 3.143 16.646 733 HA3 GLY 103 2HA GLY 103 -18.032 2.672 15.583 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -20.618 -0.632 7.365 2 HA2 GLY 1 1HA GLY 1 -20.296 -3.126 5.957 3 HA3 GLY 1 2HA GLY 1 -21.862 -2.374 5.691 4 H SER 2 H SER 2 -21.938 -1.275 3.860 5 HA SER 2 HA SER 2 -19.545 0.230 3.030 6 HB2 SER 2 1HB SER 2 -20.306 -1.921 1.686 7 HB3 SER 2 2HB SER 2 -21.464 -0.795 0.979 8 HG SER 2 HG SER 2 -18.640 -0.498 1.026 9 H SER 3 H SER 3 -20.037 2.290 3.461 10 HA SER 3 HA SER 3 -22.674 3.293 2.611 11 HB2 SER 3 1HB SER 3 -20.840 4.252 4.816 12 HB3 SER 3 2HB SER 3 -22.260 5.145 4.271 13 HG SER 3 HG SER 3 -22.190 2.553 5.421 14 H GLY 4 H GLY 4 -22.523 4.305 0.720 15 HA2 GLY 4 1HA GLY 4 -21.928 6.203 -0.559 16 HA3 GLY 4 2HA GLY 4 -20.466 6.363 0.404 17 H SER 5 H SER 5 -20.274 6.604 -2.288 18 HA SER 5 HA SER 5 -19.752 4.187 -3.662 19 HB2 SER 5 1HB SER 5 -20.204 6.264 -4.866 20 HB3 SER 5 2HB SER 5 -18.740 6.990 -4.204 21 HG SER 5 HG SER 5 -18.988 4.908 -6.092 22 H SER 6 H SER 6 -18.467 2.988 -2.170 23 HA SER 6 HA SER 6 -15.753 3.966 -1.693 24 HB2 SER 6 1HB SER 6 -15.571 1.939 -0.225 25 HB3 SER 6 2HB SER 6 -16.848 3.057 0.254 26 HG SER 6 HG SER 6 -17.123 0.610 -1.151 27 H GLY 7 H GLY 7 -14.416 3.622 -3.356 28 HA2 GLY 7 1HA GLY 7 -14.727 1.400 -5.152 29 HA3 GLY 7 2HA GLY 7 -13.435 2.591 -5.178 30 H ASN 8 H ASN 8 -14.527 -0.433 -3.780 31 HA ASN 8 HA ASN 8 -12.191 -0.892 -2.216 32 HB2 ASN 8 1HB ASN 8 -13.053 -3.166 -1.955 33 HB3 ASN 8 2HB ASN 8 -14.342 -1.990 -1.726 34 HD21 ASN 8 1HD2 ASN 8 -12.976 -4.349 -3.913 35 HD22 ASN 8 2HD2 ASN 8 -14.403 -4.581 -4.860 36 H VAL 9 H VAL 9 -10.357 -2.027 -2.674 37 HA VAL 9 HA VAL 9 -10.084 -3.308 -5.285 38 HB VAL 9 HB VAL 9 -8.258 -1.104 -4.324 39 HG11 VAL 9 1HG1 VAL 9 -7.962 -2.787 -6.806 40 HG12 VAL 9 2HG1 VAL 9 -6.856 -1.548 -6.209 41 HG13 VAL 9 3HG1 VAL 9 -7.057 -3.057 -5.317 42 HG21 VAL 9 1HG2 VAL 9 -9.566 -1.162 -6.998 43 HG22 VAL 9 2HG2 VAL 9 -10.530 -0.704 -5.593 44 HG23 VAL 9 3HG2 VAL 9 -9.083 0.215 -6.008 45 H VAL 10 H VAL 10 -9.613 -5.313 -4.606 46 HA VAL 10 HA VAL 10 -7.551 -5.641 -2.531 47 HB VAL 10 HB VAL 10 -9.364 -7.842 -3.479 48 HG11 VAL 10 1HG1 VAL 10 -7.412 -8.447 -2.135 49 HG12 VAL 10 2HG1 VAL 10 -7.942 -7.343 -0.865 50 HG13 VAL 10 3HG1 VAL 10 -8.914 -8.760 -1.265 51 HG21 VAL 10 1HG2 VAL 10 -9.977 -5.992 -1.181 52 HG22 VAL 10 2HG2 VAL 10 -10.714 -5.847 -2.777 53 HG23 VAL 10 3HG2 VAL 10 -10.981 -7.298 -1.811 54 H LEU 11 H LEU 11 -5.644 -5.688 -3.601 55 HA LEU 11 HA LEU 11 -5.374 -7.211 -6.061 56 HB2 LEU 11 1HB LEU 11 -3.155 -5.846 -4.571 57 HB3 LEU 11 2HB LEU 11 -3.248 -6.235 -6.288 58 HG LEU 11 HG LEU 11 -4.997 -4.178 -4.949 59 HD11 LEU 11 1HD1 LEU 11 -2.484 -3.709 -6.544 60 HD12 LEU 11 2HD1 LEU 11 -2.595 -3.590 -4.788 61 HD13 LEU 11 3HD1 LEU 11 -3.522 -2.488 -5.806 62 HD21 LEU 11 1HD2 LEU 11 -5.850 -5.140 -7.042 63 HD22 LEU 11 2HD2 LEU 11 -4.348 -4.689 -7.851 64 HD23 LEU 11 3HD2 LEU 11 -5.421 -3.438 -7.221 65 HA PRO 12 HA PRO 12 -3.974 -10.891 -4.071 66 HB2 PRO 12 1HB PRO 12 -2.764 -12.049 -6.208 67 HB3 PRO 12 2HB PRO 12 -4.520 -11.965 -6.027 68 HG2 PRO 12 1HG PRO 12 -2.697 -10.228 -7.645 69 HG3 PRO 12 2HG PRO 12 -4.273 -10.911 -8.085 70 HD2 PRO 12 1HD PRO 12 -3.972 -8.343 -7.282 71 HD3 PRO 12 2HD PRO 12 -5.439 -9.283 -6.942 72 H GLY 13 H GLY 13 -2.207 -11.456 -2.931 73 HA2 GLY 13 1HA GLY 13 0.402 -10.387 -3.812 74 HA3 GLY 13 2HA GLY 13 -0.121 -10.263 -2.138 75 HA PRO 14 HA PRO 14 1.443 -10.424 -0.923 76 HB2 PRO 14 1HB PRO 14 4.087 -10.908 -0.543 77 HB3 PRO 14 2HB PRO 14 2.827 -11.595 0.488 78 HG2 PRO 14 1HG PRO 14 4.304 -12.853 -1.792 79 HG3 PRO 14 2HG PRO 14 3.885 -13.544 -0.214 80 HD2 PRO 14 1HD PRO 14 2.473 -14.081 -2.461 81 HD3 PRO 14 2HD PRO 14 1.721 -14.014 -0.854 82 H ALA 15 H ALA 15 3.659 -9.008 -1.206 83 HA ALA 15 HA ALA 15 3.464 -7.891 -3.788 84 HB1 ALA 15 1HB ALA 15 5.854 -6.956 -2.781 85 HB2 ALA 15 2HB ALA 15 4.266 -6.228 -2.536 86 HB3 ALA 15 3HB ALA 15 4.921 -7.340 -1.334 87 HA PRO 16 HA PRO 16 5.357 -6.378 -4.639 88 HB2 PRO 16 1HB PRO 16 5.675 -6.155 -7.326 89 HB3 PRO 16 2HB PRO 16 7.033 -6.151 -6.194 90 HG2 PRO 16 1HG PRO 16 5.966 -8.395 -7.864 91 HG3 PRO 16 2HG PRO 16 7.650 -7.928 -7.561 92 HD2 PRO 16 1HD PRO 16 6.450 -9.979 -6.263 93 HD3 PRO 16 2HD PRO 16 7.701 -8.971 -5.507 94 H TRP 17 H TRP 17 3.702 -5.120 -5.746 95 HA TRP 17 HA TRP 17 1.366 -6.774 -6.385 96 HB2 TRP 17 1HB TRP 17 1.426 -3.818 -5.760 97 HB3 TRP 17 2HB TRP 17 0.013 -4.869 -5.814 98 HD1 TRP 17 HD TRP 17 2.679 -3.620 -3.496 99 HE1 TRP 17 1HE TRP 17 2.380 -4.683 -1.171 100 HE3 TRP 17 3HE TRP 17 -0.776 -7.198 -4.678 101 HZ2 TRP 17 2HZ TRP 17 0.878 -6.763 0.005 102 HZ3 TRP 17 3HZ TRP 17 -1.592 -8.684 -2.895 103 HH2 TRP 17 HH TRP 17 -0.780 -8.470 -0.603 104 H GLY 18 H GLY 18 3.057 -3.853 -7.525 105 HA2 GLY 18 1HA GLY 18 3.523 -3.924 -9.997 106 HA3 GLY 18 2HA GLY 18 1.815 -4.302 -10.169 107 H PHE 19 H PHE 19 1.610 -2.305 -7.730 108 HA PHE 19 HA PHE 19 1.452 0.081 -9.448 109 HB2 PHE 19 1HB PHE 19 -0.407 0.824 -8.204 110 HB3 PHE 19 2HB PHE 19 -0.681 -0.902 -8.420 111 HD1 PHE 19 1HD PHE 19 0.331 1.700 -6.024 112 HD2 PHE 19 2HD PHE 19 -0.734 -2.386 -6.565 113 HE1 PHE 19 1HE PHE 19 0.113 1.437 -3.587 114 HE2 PHE 19 2HE PHE 19 -0.954 -2.655 -4.130 115 HZ PHE 19 HZ PHE 19 -0.531 -0.742 -2.637 116 H ARG 20 H ARG 20 2.043 2.114 -8.571 117 HA ARG 20 HA ARG 20 3.990 1.900 -6.375 118 HB2 ARG 20 1HB ARG 20 3.874 4.189 -8.317 119 HB3 ARG 20 2HB ARG 20 5.234 3.627 -7.354 120 HG2 ARG 20 1HG ARG 20 4.049 2.296 -9.777 121 HG3 ARG 20 2HG ARG 20 5.631 3.066 -9.641 122 HD2 ARG 20 1HD ARG 20 6.219 1.374 -7.903 123 HD3 ARG 20 2HD ARG 20 4.695 0.560 -8.253 124 HE ARG 20 HE ARG 20 5.860 0.711 -10.679 125 HH11 ARG 20 2HH1 ARG 20 6.980 -0.410 -7.580 126 HH12 ARG 20 1HH1 ARG 20 8.058 -1.589 -8.250 127 HH21 ARG 20 2HH2 ARG 20 7.275 -0.838 -11.574 128 HH22 ARG 20 1HH2 ARG 20 8.226 -1.832 -10.522 129 H LEU 21 H LEU 21 4.311 4.180 -5.301 130 HA LEU 21 HA LEU 21 1.679 5.382 -4.776 131 HB2 LEU 21 1HB LEU 21 2.658 5.616 -2.356 132 HB3 LEU 21 2HB LEU 21 1.824 4.149 -2.864 133 HG LEU 21 HG LEU 21 3.956 3.025 -3.191 134 HD11 LEU 21 1HD1 LEU 21 6.043 4.136 -2.441 135 HD12 LEU 21 2HD1 LEU 21 5.151 5.652 -2.326 136 HD13 LEU 21 3HD1 LEU 21 5.340 4.857 -3.889 137 HD21 LEU 21 1HD2 LEU 21 4.422 2.638 -0.955 138 HD22 LEU 21 2HD2 LEU 21 2.778 3.276 -0.900 139 HD23 LEU 21 3HD2 LEU 21 4.144 4.319 -0.499 140 H SER 22 H SER 22 1.721 7.557 -4.036 141 HA SER 22 HA SER 22 4.282 8.953 -4.116 142 HB2 SER 22 1HB SER 22 3.042 8.856 -6.444 143 HB3 SER 22 2HB SER 22 2.053 10.131 -5.731 144 HG SER 22 HG SER 22 3.651 11.470 -5.970 145 H GLY 23 H GLY 23 3.793 11.429 -3.745 146 HA2 GLY 23 1HA GLY 23 3.043 13.023 -2.275 147 HA3 GLY 23 2HA GLY 23 1.480 12.224 -2.371 148 H GLY 24 H GLY 24 1.143 12.687 -0.142 149 HA2 GLY 24 1HA GLY 24 1.290 10.768 1.672 150 HA3 GLY 24 2HA GLY 24 2.930 11.390 1.770 151 H ILE 25 H ILE 25 0.729 11.359 3.756 152 HA ILE 25 HA ILE 25 -0.380 13.905 4.108 153 HB ILE 25 HB ILE 25 -0.755 13.291 6.424 154 HG12 ILE 25 1HG1 ILE 25 0.796 10.750 6.020 155 HG13 ILE 25 2HG1 ILE 25 1.611 12.212 6.566 156 HG21 ILE 25 1HG2 ILE 25 -1.232 10.641 5.351 157 HG22 ILE 25 2HG2 ILE 25 -2.381 11.890 5.828 158 HG23 ILE 25 3HG2 ILE 25 -1.677 11.911 4.211 159 HD11 ILE 25 1HD1 ILE 25 -0.295 10.457 7.981 160 HD12 ILE 25 2HD1 ILE 25 1.120 11.323 8.581 161 HD13 ILE 25 3HD1 ILE 25 -0.395 12.186 8.313 162 H ASP 26 H ASP 26 2.839 12.896 4.351 163 HA ASP 26 HA ASP 26 3.614 14.960 6.249 164 HB2 ASP 26 1HB ASP 26 4.641 12.570 6.016 165 HB3 ASP 26 2HB ASP 26 5.560 13.287 4.695 166 H PHE 27 H PHE 27 3.580 14.371 2.821 167 HA PHE 27 HA PHE 27 5.236 16.712 2.284 168 HB2 PHE 27 1HB PHE 27 3.972 14.702 0.410 169 HB3 PHE 27 2HB PHE 27 5.016 16.028 -0.092 170 HD1 PHE 27 2HD PHE 27 7.385 16.085 0.897 171 HD2 PHE 27 1HD PHE 27 4.878 12.646 0.968 172 HE1 PHE 27 2HE PHE 27 9.360 14.656 1.231 173 HE2 PHE 27 1HE PHE 27 6.849 11.211 1.302 174 HZ PHE 27 HZ PHE 27 9.093 12.216 1.433 175 H ASN 28 H ASN 28 2.232 16.433 3.239 176 HA ASN 28 HA ASN 28 0.336 17.676 3.064 177 HB2 ASN 28 1HB ASN 28 2.377 19.493 1.820 178 HB3 ASN 28 2HB ASN 28 0.677 19.950 1.831 179 HD21 ASN 28 1HD2 ASN 28 2.544 21.478 3.105 180 HD22 ASN 28 2HD2 ASN 28 2.321 21.368 4.815 181 H GLN 29 H GLN 29 0.594 15.615 1.231 182 HA GLN 29 HA GLN 29 -1.127 16.595 -0.893 183 HB2 GLN 29 1HB GLN 29 1.614 15.499 -1.341 184 HB3 GLN 29 2HB GLN 29 0.350 15.099 -2.496 185 HG2 GLN 29 1HG GLN 29 -0.077 17.635 -2.578 186 HG3 GLN 29 2HG GLN 29 1.515 17.770 -1.833 187 HE21 GLN 29 1HE2 GLN 29 -0.257 16.937 -4.685 188 HE22 GLN 29 2HE2 GLN 29 1.101 16.811 -5.746 189 HA PRO 30 HA PRO 30 -3.159 12.752 -0.294 190 HB2 PRO 30 1HB PRO 30 -4.203 12.317 -2.763 191 HB3 PRO 30 2HB PRO 30 -4.822 13.554 -1.662 192 HG2 PRO 30 1HG PRO 30 -2.953 13.846 -3.982 193 HG3 PRO 30 2HG PRO 30 -4.322 14.871 -3.513 194 HD2 PRO 30 1HD PRO 30 -1.754 15.529 -2.962 195 HD3 PRO 30 2HD PRO 30 -3.103 15.976 -1.899 196 H LEU 31 H LEU 31 -2.767 10.592 -0.419 197 HA LEU 31 HA LEU 31 -0.360 9.741 -1.736 198 HB2 LEU 31 1HB LEU 31 -2.368 8.461 0.066 199 HB3 LEU 31 2HB LEU 31 -1.225 7.453 -0.819 200 HG LEU 31 HG LEU 31 -0.322 9.697 0.966 201 HD11 LEU 31 1HD1 LEU 31 0.167 7.496 2.434 202 HD12 LEU 31 2HD1 LEU 31 -1.363 7.036 1.687 203 HD13 LEU 31 3HD1 LEU 31 -1.258 8.516 2.641 204 HD21 LEU 31 1HD2 LEU 31 0.948 7.770 -0.747 205 HD22 LEU 31 2HD2 LEU 31 1.471 7.548 0.923 206 HD23 LEU 31 3HD2 LEU 31 1.656 9.119 0.141 207 H VAL 32 H VAL 32 -0.459 9.539 -3.893 208 HA VAL 32 HA VAL 32 -2.616 7.864 -5.004 209 HB VAL 32 HB VAL 32 -2.353 9.125 -7.134 210 HG11 VAL 32 1HG1 VAL 32 -4.108 10.312 -6.467 211 HG12 VAL 32 2HG1 VAL 32 -3.733 9.853 -4.805 212 HG13 VAL 32 3HG1 VAL 32 -3.086 11.351 -5.474 213 HG21 VAL 32 1HG2 VAL 32 -0.302 10.494 -5.523 214 HG22 VAL 32 2HG2 VAL 32 -0.398 10.245 -7.266 215 HG23 VAL 32 3HG2 VAL 32 -1.325 11.540 -6.509 216 H ILE 33 H ILE 33 -1.964 6.931 -7.194 217 HA ILE 33 HA ILE 33 0.515 5.509 -6.830 218 HB ILE 33 HB ILE 33 -1.606 5.366 -8.967 219 HG12 ILE 33 1HG1 ILE 33 -0.796 3.179 -7.076 220 HG13 ILE 33 2HG1 ILE 33 -1.891 4.450 -6.542 221 HG21 ILE 33 1HG2 ILE 33 1.129 4.385 -8.998 222 HG22 ILE 33 2HG2 ILE 33 -0.057 3.099 -9.217 223 HG23 ILE 33 3HG2 ILE 33 -0.052 4.487 -10.304 224 HD11 ILE 33 1HD1 ILE 33 -2.662 3.281 -9.090 225 HD12 ILE 33 2HD1 ILE 33 -2.614 2.114 -7.767 226 HD13 ILE 33 3HD1 ILE 33 -3.613 3.562 -7.632 227 H THR 34 H THR 34 2.354 5.639 -8.047 228 HA THR 34 HA THR 34 2.713 8.095 -9.558 229 HB THR 34 HB THR 34 4.912 7.955 -9.072 230 HG1 THR 34 1HG THR 34 4.607 5.238 -9.766 231 HG21 THR 34 1HG2 THR 34 3.436 7.013 -7.007 232 HG22 THR 34 2HG2 THR 34 5.171 7.320 -6.918 233 HG23 THR 34 3HG2 THR 34 4.578 5.687 -7.220 234 H ARG 35 H ARG 35 2.792 4.607 -10.080 235 HA ARG 35 HA ARG 35 2.280 4.969 -12.886 236 HB2 ARG 35 1HB ARG 35 4.879 5.077 -12.385 237 HB3 ARG 35 2HB ARG 35 4.711 3.328 -12.337 238 HG2 ARG 35 1HG ARG 35 5.324 3.807 -14.536 239 HG3 ARG 35 2HG ARG 35 3.580 3.541 -14.611 240 HD2 ARG 35 1HD ARG 35 4.023 5.466 -15.916 241 HD3 ARG 35 2HD ARG 35 3.308 6.037 -14.410 242 HE ARG 35 HE ARG 35 5.244 7.162 -13.982 243 HH11 ARG 35 2HH1 ARG 35 5.900 4.666 -16.320 244 HH12 ARG 35 1HH1 ARG 35 7.538 5.165 -16.586 245 HH21 ARG 35 2HH2 ARG 35 7.399 7.828 -14.324 246 HH22 ARG 35 1HH2 ARG 35 8.389 6.963 -15.450 247 H ILE 36 H ILE 36 1.770 2.966 -13.969 248 HA ILE 36 HA ILE 36 1.208 0.743 -12.118 249 HB ILE 36 HB ILE 36 -0.580 1.890 -14.255 250 HG12 ILE 36 1HG1 ILE 36 -0.886 2.967 -12.146 251 HG13 ILE 36 2HG1 ILE 36 -2.220 1.834 -12.330 252 HG21 ILE 36 1HG2 ILE 36 -2.065 0.002 -13.942 253 HG22 ILE 36 2HG2 ILE 36 -0.484 -0.557 -14.485 254 HG23 ILE 36 3HG2 ILE 36 -0.942 -0.720 -12.790 255 HD11 ILE 36 1HD1 ILE 36 -0.885 0.221 -10.936 256 HD12 ILE 36 2HD1 ILE 36 0.209 1.561 -10.592 257 HD13 ILE 36 3HD1 ILE 36 -1.482 1.655 -10.102 258 H THR 37 H THR 37 1.550 -1.309 -12.865 259 HA THR 37 HA THR 37 3.275 -1.580 -15.147 260 HB THR 37 HB THR 37 2.074 -3.824 -13.524 261 HG1 THR 37 1HG THR 37 3.299 -2.051 -12.353 262 HG21 THR 37 1HG2 THR 37 4.403 -4.788 -14.136 263 HG22 THR 37 2HG2 THR 37 4.403 -3.549 -15.391 264 HG23 THR 37 3HG2 THR 37 3.136 -4.776 -15.362 265 HA PRO 38 HA PRO 38 -0.116 -2.239 -17.979 266 HB2 PRO 38 1HB PRO 38 1.442 -2.566 -20.178 267 HB3 PRO 38 2HB PRO 38 1.087 -0.981 -19.479 268 HG2 PRO 38 1HG PRO 38 3.523 -2.692 -19.158 269 HG3 PRO 38 2HG PRO 38 3.412 -0.941 -19.417 270 HD2 PRO 38 1HD PRO 38 3.852 -2.027 -16.976 271 HD3 PRO 38 2HD PRO 38 2.948 -0.515 -17.200 272 H GLY 39 H GLY 39 -0.890 -4.240 -17.293 273 HA2 GLY 39 1HA GLY 39 -1.410 -6.425 -18.054 274 HA3 GLY 39 2HA GLY 39 0.184 -6.521 -18.788 275 H SER 40 H SER 40 -1.160 -6.010 -15.521 276 HA SER 40 HA SER 40 0.167 -8.364 -14.531 277 HB2 SER 40 1HB SER 40 1.828 -7.429 -13.243 278 HB3 SER 40 2HB SER 40 1.822 -6.281 -14.582 279 HG SER 40 HG SER 40 0.244 -5.086 -13.227 280 H LYS 41 H LYS 41 0.051 -8.098 -11.898 281 HA LYS 41 HA LYS 41 -2.658 -8.314 -11.271 282 HB2 LYS 41 1HB LYS 41 -0.383 -7.689 -9.379 283 HB3 LYS 41 2HB LYS 41 -1.952 -8.346 -8.931 284 HG2 LYS 41 1HG LYS 41 -1.493 -10.394 -10.087 285 HG3 LYS 41 2HG LYS 41 0.003 -9.734 -10.751 286 HD2 LYS 41 1HD LYS 41 1.077 -9.771 -8.672 287 HD3 LYS 41 2HD LYS 41 -0.445 -9.908 -7.788 288 HE2 LYS 41 1HE LYS 41 -0.718 -12.164 -8.402 289 HE3 LYS 41 2HE LYS 41 0.508 -12.053 -9.664 290 HZ1 LYS 41 1HZ LYS 41 1.795 -11.370 -7.333 291 HZ2 LYS 41 2HZ LYS 41 1.937 -12.829 -8.177 292 HZ3 LYS 41 3HZ LYS 41 0.821 -12.688 -6.913 293 H ALA 42 H ALA 42 -0.640 -5.537 -11.518 294 HA ALA 42 HA ALA 42 -2.308 -3.827 -9.902 295 HB1 ALA 42 1HB ALA 42 0.242 -3.605 -11.300 296 HB2 ALA 42 2HB ALA 42 -0.746 -2.148 -11.406 297 HB3 ALA 42 3HB ALA 42 -0.319 -2.811 -9.829 298 H ALA 43 H ALA 43 -1.325 -3.408 -13.298 299 HA ALA 43 HA ALA 43 -3.413 -1.750 -14.041 300 HB1 ALA 43 1HB ALA 43 -2.922 -2.584 -16.390 301 HB2 ALA 43 2HB ALA 43 -1.569 -1.892 -15.494 302 HB3 ALA 43 3HB ALA 43 -1.722 -3.642 -15.649 303 H ALA 44 H ALA 44 -3.218 -5.286 -14.197 304 HA ALA 44 HA ALA 44 -5.665 -5.729 -15.502 305 HB1 ALA 44 1HB ALA 44 -3.740 -7.367 -15.031 306 HB2 ALA 44 2HB ALA 44 -4.541 -7.636 -13.483 307 HB3 ALA 44 3HB ALA 44 -5.392 -7.983 -14.988 308 H ALA 45 H ALA 45 -4.955 -4.768 -12.284 309 HA ALA 45 HA ALA 45 -7.553 -5.601 -11.259 310 HB1 ALA 45 1HB ALA 45 -5.057 -4.522 -10.045 311 HB2 ALA 45 2HB ALA 45 -6.582 -4.317 -9.182 312 HB3 ALA 45 3HB ALA 45 -6.014 -5.934 -9.596 313 H ASN 46 H ASN 46 -6.862 -3.330 -13.291 314 HA ASN 46 HA ASN 46 -7.889 -1.391 -13.909 315 HB2 ASN 46 1HB ASN 46 -9.534 -1.564 -11.384 316 HB3 ASN 46 2HB ASN 46 -9.936 -0.726 -12.880 317 HD21 ASN 46 1HD2 ASN 46 -10.449 -3.455 -11.091 318 HD22 ASN 46 2HD2 ASN 46 -11.077 -4.485 -12.327 319 H LEU 47 H LEU 47 -5.497 -1.412 -12.341 320 HA LEU 47 HA LEU 47 -5.760 0.891 -10.565 321 HB2 LEU 47 1HB LEU 47 -3.353 -0.815 -11.183 322 HB3 LEU 47 2HB LEU 47 -3.449 0.434 -9.943 323 HG LEU 47 HG LEU 47 -4.938 -2.189 -9.972 324 HD11 LEU 47 1HD1 LEU 47 -3.091 -1.386 -7.802 325 HD12 LEU 47 2HD1 LEU 47 -2.374 -1.875 -9.337 326 HD13 LEU 47 3HD1 LEU 47 -3.437 -2.982 -8.469 327 HD21 LEU 47 1HD2 LEU 47 -5.471 0.298 -8.595 328 HD22 LEU 47 2HD2 LEU 47 -5.153 -1.017 -7.463 329 HD23 LEU 47 3HD2 LEU 47 -6.431 -1.180 -8.668 330 H CYS 48 H CYS 48 -4.857 2.866 -10.949 331 HA CYS 48 HA CYS 48 -3.207 3.255 -13.319 332 HB2 CYS 48 1HB CYS 48 -5.977 4.311 -12.972 333 HB3 CYS 48 2HB CYS 48 -4.786 5.340 -13.758 334 HG CYS 48 HG CYS 48 -5.372 4.364 -16.057 335 HA PRO 49 HA PRO 49 -1.145 6.147 -10.736 336 HB2 PRO 49 1HB PRO 49 -0.066 7.789 -12.610 337 HB3 PRO 49 2HB PRO 49 0.530 6.152 -12.308 338 HG2 PRO 49 1HG PRO 49 -1.310 7.133 -14.457 339 HG3 PRO 49 2HG PRO 49 0.046 5.996 -14.578 340 HD2 PRO 49 1HD PRO 49 -2.533 5.180 -14.469 341 HD3 PRO 49 2HD PRO 49 -1.201 4.228 -13.783 342 H GLY 50 H GLY 50 -2.888 7.170 -9.688 343 HA2 GLY 50 1HA GLY 50 -3.141 9.853 -9.775 344 HA3 GLY 50 2HA GLY 50 -4.292 9.337 -10.999 345 H ASP 51 H ASP 51 -4.723 6.822 -9.332 346 HA ASP 51 HA ASP 51 -7.029 7.731 -7.967 347 HB2 ASP 51 1HB ASP 51 -5.619 5.133 -8.287 348 HB3 ASP 51 2HB ASP 51 -6.728 5.282 -6.927 349 H VAL 52 H VAL 52 -7.442 8.053 -5.816 350 HA VAL 52 HA VAL 52 -5.117 8.576 -4.148 351 HB VAL 52 HB VAL 52 -8.038 9.091 -3.572 352 HG11 VAL 52 1HG1 VAL 52 -5.516 9.620 -2.091 353 HG12 VAL 52 2HG1 VAL 52 -6.798 10.831 -2.015 354 HG13 VAL 52 3HG1 VAL 52 -7.113 9.178 -1.486 355 HG21 VAL 52 1HG2 VAL 52 -5.924 10.707 -4.926 356 HG22 VAL 52 2HG2 VAL 52 -7.623 10.500 -5.351 357 HG23 VAL 52 3HG2 VAL 52 -7.174 11.519 -3.983 358 H ILE 53 H ILE 53 -4.685 7.600 -2.196 359 HA ILE 53 HA ILE 53 -6.063 5.050 -1.743 360 HB ILE 53 HB ILE 53 -3.438 5.957 -0.564 361 HG12 ILE 53 1HG1 ILE 53 -3.654 5.672 -3.161 362 HG13 ILE 53 2HG1 ILE 53 -2.283 4.966 -2.312 363 HG21 ILE 53 1HG2 ILE 53 -5.107 3.550 -0.330 364 HG22 ILE 53 2HG2 ILE 53 -3.390 3.252 -0.597 365 HG23 ILE 53 3HG2 ILE 53 -3.913 4.219 0.782 366 HD11 ILE 53 1HD1 ILE 53 -4.709 3.301 -2.693 367 HD12 ILE 53 2HD1 ILE 53 -3.660 3.600 -4.079 368 HD13 ILE 53 3HD1 ILE 53 -3.010 2.833 -2.630 369 H LEU 54 H LEU 54 -7.849 5.749 -0.575 370 HA LEU 54 HA LEU 54 -7.802 7.547 1.574 371 HB2 LEU 54 1HB LEU 54 -9.669 5.296 0.873 372 HB3 LEU 54 2HB LEU 54 -9.941 6.365 2.249 373 HG LEU 54 HG LEU 54 -9.726 7.330 -0.599 374 HD11 LEU 54 1HD1 LEU 54 -12.058 6.337 0.976 375 HD12 LEU 54 2HD1 LEU 54 -11.656 6.081 -0.721 376 HD13 LEU 54 3HD1 LEU 54 -12.278 7.642 -0.189 377 HD21 LEU 54 1HD2 LEU 54 -10.850 8.660 1.862 378 HD22 LEU 54 2HD2 LEU 54 -10.666 9.369 0.258 379 HD23 LEU 54 3HD2 LEU 54 -9.238 8.957 1.210 380 H ALA 55 H ALA 55 -7.656 3.994 1.546 381 HA ALA 55 HA ALA 55 -6.296 4.094 4.138 382 HB1 ALA 55 1HB ALA 55 -7.763 1.923 4.602 383 HB2 ALA 55 2HB ALA 55 -8.297 3.541 5.059 384 HB3 ALA 55 3HB ALA 55 -8.901 2.798 3.578 385 H ILE 56 H ILE 56 -5.118 2.132 4.648 386 HA ILE 56 HA ILE 56 -4.471 0.537 2.254 387 HB ILE 56 HB ILE 56 -2.600 1.577 4.379 388 HG12 ILE 56 1HG1 ILE 56 -2.505 1.874 1.372 389 HG13 ILE 56 2HG1 ILE 56 -3.227 3.067 2.448 390 HG21 ILE 56 1HG2 ILE 56 -2.412 -0.800 2.702 391 HG22 ILE 56 2HG2 ILE 56 -1.036 0.288 2.531 392 HG23 ILE 56 3HG2 ILE 56 -1.474 -0.336 4.121 393 HD11 ILE 56 1HD1 ILE 56 -0.534 2.353 3.245 394 HD12 ILE 56 2HD1 ILE 56 -0.611 2.997 1.604 395 HD13 ILE 56 3HD1 ILE 56 -1.250 3.938 2.952 396 H ASP 57 H ASP 57 -4.684 -1.592 2.465 397 HA ASP 57 HA ASP 57 -5.421 -3.542 3.453 398 HB2 ASP 57 1HB ASP 57 -2.877 -3.463 3.601 399 HB3 ASP 57 2HB ASP 57 -3.087 -3.026 5.295 400 H GLY 58 H GLY 58 -6.727 -1.214 4.550 401 HA2 GLY 58 1HA GLY 58 -8.367 -1.022 6.194 402 HA3 GLY 58 2HA GLY 58 -7.677 -2.417 7.010 403 H PHE 59 H PHE 59 -5.958 0.510 6.047 404 HA PHE 59 HA PHE 59 -5.807 1.349 8.848 405 HB2 PHE 59 1HB PHE 59 -3.444 0.784 7.055 406 HB3 PHE 59 2HB PHE 59 -3.326 1.761 8.514 407 HD1 PHE 59 2HD PHE 59 -3.916 0.706 10.724 408 HD2 PHE 59 1HD PHE 59 -3.388 -1.552 7.155 409 HE1 PHE 59 2HE PHE 59 -3.600 -1.333 12.065 410 HE2 PHE 59 1HE PHE 59 -3.071 -3.595 8.490 411 HZ PHE 59 HZ PHE 59 -3.176 -3.487 10.948 412 H GLY 60 H GLY 60 -6.710 3.310 8.754 413 HA2 GLY 60 1HA GLY 60 -7.060 5.006 6.669 414 HA3 GLY 60 2HA GLY 60 -6.812 5.576 8.313 415 H THR 61 H THR 61 -5.927 6.426 5.477 416 HA THR 61 HA THR 61 -3.029 6.462 5.853 417 HB THR 61 HB THR 61 -2.884 7.355 3.605 418 HG1 THR 61 1HG THR 61 -4.625 8.073 2.518 419 HG21 THR 61 1HG2 THR 61 -4.174 4.860 4.250 420 HG22 THR 61 2HG2 THR 61 -2.999 5.216 2.984 421 HG23 THR 61 3HG2 THR 61 -4.720 5.453 2.682 422 H GLU 62 H GLU 62 -4.894 8.016 7.553 423 HA GLU 62 HA GLU 62 -4.408 10.775 6.783 424 HB2 GLU 62 1HB GLU 62 -6.455 10.786 7.764 425 HB3 GLU 62 2HB GLU 62 -6.103 9.377 8.756 426 HG2 GLU 62 1HG GLU 62 -6.431 11.230 10.204 427 HG3 GLU 62 2HG GLU 62 -4.714 10.832 10.217 428 H SER 63 H SER 63 -3.380 8.475 9.255 429 HA SER 63 HA SER 63 -1.425 10.443 10.232 430 HB2 SER 63 1HB SER 63 -2.479 7.913 11.517 431 HB3 SER 63 2HB SER 63 -1.222 8.937 12.212 432 HG SER 63 HG SER 63 -3.017 9.728 13.109 433 H MET 64 H MET 64 -1.431 8.408 7.867 434 HA MET 64 HA MET 64 1.129 7.113 8.531 435 HB2 MET 64 1HB MET 64 -0.167 5.341 7.880 436 HB3 MET 64 2HB MET 64 -1.171 6.323 6.821 437 HG2 MET 64 1HG MET 64 0.258 6.126 5.048 438 HG3 MET 64 2HG MET 64 1.668 5.870 6.073 439 HE1 MET 64 1HE MET 64 -1.764 3.823 4.881 440 HE2 MET 64 2HE MET 64 -1.516 2.623 6.150 441 HE3 MET 64 3HE MET 64 -1.685 4.329 6.569 442 H THR 65 H THR 65 2.840 8.153 7.769 443 HA THR 65 HA THR 65 2.620 10.047 5.609 444 HB THR 65 HB THR 65 4.963 10.530 5.999 445 HG1 THR 65 1HG THR 65 6.184 9.276 7.417 446 HG21 THR 65 1HG2 THR 65 3.942 10.123 8.772 447 HG22 THR 65 2HG2 THR 65 3.041 11.175 7.681 448 HG23 THR 65 3HG2 THR 65 4.727 11.530 8.057 449 H HIS 66 H HIS 66 4.299 10.008 3.833 450 HA HIS 66 HA HIS 66 3.919 7.888 2.129 451 HB2 HIS 66 1HB HIS 66 5.022 10.247 1.768 452 HB3 HIS 66 2HB HIS 66 6.523 9.363 2.029 453 HD1 HIS 66 1HD HIS 66 3.454 8.331 0.033 454 HD2 HIS 66 2HD HIS 66 7.515 9.047 -0.471 455 HE1 HIS 66 1HE HIS 66 3.954 7.716 -2.354 456 HE2 HIS 66 2HE HIS 66 6.433 8.075 -2.611 457 H ALA 67 H ALA 67 6.815 8.466 4.127 458 HA ALA 67 HA ALA 67 8.244 6.194 3.480 459 HB1 ALA 67 1HB ALA 67 9.328 7.837 4.770 460 HB2 ALA 67 2HB ALA 67 8.103 7.768 6.036 461 HB3 ALA 67 3HB ALA 67 9.218 6.420 5.814 462 H ASP 68 H ASP 68 5.619 6.573 5.804 463 HA ASP 68 HA ASP 68 5.837 4.019 6.992 464 HB2 ASP 68 1HB ASP 68 3.650 6.067 6.814 465 HB3 ASP 68 2HB ASP 68 3.323 4.482 7.508 466 H ALA 69 H ALA 69 3.757 5.234 4.375 467 HA ALA 69 HA ALA 69 2.311 2.939 3.845 468 HB1 ALA 69 1HB ALA 69 3.295 5.046 1.927 469 HB2 ALA 69 2HB ALA 69 2.089 3.821 1.531 470 HB3 ALA 69 3HB ALA 69 1.753 5.017 2.783 471 H GLN 70 H GLN 70 5.596 3.755 2.923 472 HA GLN 70 HA GLN 70 5.962 1.687 1.028 473 HB2 GLN 70 1HB GLN 70 8.127 2.915 2.730 474 HB3 GLN 70 2HB GLN 70 8.288 2.204 1.129 475 HG2 GLN 70 1HG GLN 70 6.466 4.521 1.422 476 HG3 GLN 70 2HG GLN 70 8.201 4.820 1.521 477 HE21 GLN 70 1HE2 GLN 70 7.271 6.085 -0.454 478 HE22 GLN 70 2HE2 GLN 70 7.465 5.286 -1.973 479 H ASP 71 H ASP 71 6.107 1.796 4.499 480 HA ASP 71 HA ASP 71 7.332 -0.849 4.650 481 HB2 ASP 71 1HB ASP 71 7.751 1.247 6.221 482 HB3 ASP 71 2HB ASP 71 6.354 0.595 7.072 483 H ARG 72 H ARG 72 4.263 0.511 4.440 484 HA ARG 72 HA ARG 72 2.948 -1.616 5.941 485 HB2 ARG 72 1HB ARG 72 2.114 0.996 4.788 486 HB3 ARG 72 2HB ARG 72 0.888 -0.258 4.916 487 HG2 ARG 72 1HG ARG 72 2.562 0.303 7.302 488 HG3 ARG 72 2HG ARG 72 1.319 1.473 6.856 489 HD2 ARG 72 1HD ARG 72 -0.339 -0.372 6.841 490 HD3 ARG 72 2HD ARG 72 0.922 -1.463 7.415 491 HE ARG 72 HE ARG 72 -0.533 0.467 8.961 492 HH11 ARG 72 2HH1 ARG 72 2.438 -1.329 8.710 493 HH12 ARG 72 1HH1 ARG 72 2.782 -1.249 10.407 494 HH21 ARG 72 2HH2 ARG 72 -0.091 0.579 11.196 495 HH22 ARG 72 1HH2 ARG 72 1.342 -0.164 11.820 496 H ILE 73 H ILE 73 3.510 -0.566 2.651 497 HA ILE 73 HA ILE 73 1.668 -2.452 1.493 498 HB ILE 73 HB ILE 73 3.781 -0.672 0.290 499 HG12 ILE 73 1HG1 ILE 73 0.791 -0.628 -0.111 500 HG13 ILE 73 2HG1 ILE 73 1.580 0.259 1.190 501 HG21 ILE 73 1HG2 ILE 73 2.995 -1.354 -1.906 502 HG22 ILE 73 2HG2 ILE 73 3.620 -2.741 -1.015 503 HG23 ILE 73 3HG2 ILE 73 1.879 -2.503 -1.167 504 HD11 ILE 73 1HD1 ILE 73 3.024 1.222 -0.772 505 HD12 ILE 73 2HD1 ILE 73 1.629 0.742 -1.740 506 HD13 ILE 73 3HD1 ILE 73 1.428 1.878 -0.406 507 H LYS 74 H LYS 74 5.188 -2.202 1.843 508 HA LYS 74 HA LYS 74 5.742 -4.645 0.487 509 HB2 LYS 74 1HB LYS 74 7.999 -4.324 1.142 510 HB3 LYS 74 2HB LYS 74 7.350 -2.719 0.837 511 HG2 LYS 74 1HG LYS 74 6.940 -2.549 3.322 512 HG3 LYS 74 2HG LYS 74 7.906 -4.017 3.487 513 HD2 LYS 74 1HD LYS 74 8.994 -1.703 1.943 514 HD3 LYS 74 2HD LYS 74 9.028 -1.663 3.707 515 HE2 LYS 74 1HE LYS 74 11.045 -2.653 3.320 516 HE3 LYS 74 2HE LYS 74 10.028 -4.092 3.375 517 HZ1 LYS 74 1HZ LYS 74 9.830 -3.706 0.852 518 HZ2 LYS 74 2HZ LYS 74 11.249 -4.396 1.461 519 HZ3 LYS 74 3HZ LYS 74 11.220 -2.759 1.035 520 H ALA 75 H ALA 75 5.211 -3.752 3.847 521 HA ALA 75 HA ALA 75 5.722 -6.493 4.721 522 HB1 ALA 75 1HB ALA 75 4.859 -4.289 6.549 523 HB2 ALA 75 2HB ALA 75 5.878 -5.690 6.885 524 HB3 ALA 75 3HB ALA 75 6.513 -4.345 5.938 525 H ALA 76 H ALA 76 3.296 -5.343 3.161 526 HA ALA 76 HA ALA 76 1.034 -5.614 4.838 527 HB1 ALA 76 1HB ALA 76 1.292 -4.563 2.456 528 HB2 ALA 76 2HB ALA 76 0.870 -6.189 1.917 529 HB3 ALA 76 3HB ALA 76 -0.237 -5.288 2.953 530 H SER 77 H SER 77 -0.715 -7.328 3.825 531 HA SER 77 HA SER 77 0.453 -9.925 4.491 532 HB2 SER 77 1HB SER 77 -2.359 -8.852 4.465 533 HB3 SER 77 2HB SER 77 -2.050 -10.587 4.529 534 HG SER 77 HG SER 77 -0.657 -8.972 6.321 535 H TYR 78 H TYR 78 -0.828 -11.804 3.322 536 HA TYR 78 HA TYR 78 0.084 -12.027 0.756 537 HB2 TYR 78 1HB TYR 78 -1.709 -13.787 0.457 538 HB3 TYR 78 2HB TYR 78 -0.686 -13.984 1.875 539 HD1 TYR 78 2HD TYR 78 -4.046 -13.068 0.697 540 HD2 TYR 78 1HD TYR 78 -1.587 -13.776 4.096 541 HE1 TYR 78 2HE TYR 78 -6.048 -13.143 2.123 542 HE2 TYR 78 1HE TYR 78 -3.583 -13.854 5.531 543 HH TYR 78 HH TYR 78 -6.122 -12.730 5.214 544 H GLN 79 H GLN 79 -2.644 -10.247 1.855 545 HA GLN 79 HA GLN 79 -3.279 -9.544 -0.926 546 HB2 GLN 79 1HB GLN 79 -5.699 -9.331 -0.146 547 HB3 GLN 79 2HB GLN 79 -5.077 -10.961 -0.370 548 HG2 GLN 79 1HG GLN 79 -6.292 -11.022 1.628 549 HG3 GLN 79 2HG GLN 79 -4.598 -10.974 2.112 550 HE21 GLN 79 1HE2 GLN 79 -6.894 -8.468 1.100 551 HE22 GLN 79 2HE2 GLN 79 -6.708 -7.486 2.509 552 H LEU 80 H LEU 80 -3.498 -7.413 -1.314 553 HA LEU 80 HA LEU 80 -3.302 -5.608 1.001 554 HB2 LEU 80 1HB LEU 80 -1.454 -5.632 -0.707 555 HB3 LEU 80 2HB LEU 80 -2.616 -4.983 -1.863 556 HG LEU 80 HG LEU 80 -2.748 -2.923 -0.733 557 HD11 LEU 80 1HD1 LEU 80 -1.307 -4.270 1.544 558 HD12 LEU 80 2HD1 LEU 80 -2.967 -3.674 1.532 559 HD13 LEU 80 3HD1 LEU 80 -1.621 -2.537 1.447 560 HD21 LEU 80 1HD2 LEU 80 0.148 -3.645 -0.396 561 HD22 LEU 80 2HD2 LEU 80 -0.556 -2.100 -0.877 562 HD23 LEU 80 3HD2 LEU 80 -0.596 -3.472 -1.986 563 H CYS 81 H CYS 81 -5.093 -4.555 1.512 564 HA CYS 81 HA CYS 81 -7.125 -4.115 -0.561 565 HB2 CYS 81 1HB CYS 81 -7.626 -5.348 1.655 566 HB3 CYS 81 2HB CYS 81 -7.567 -3.752 2.392 567 HG CYS 81 HG CYS 81 -10.236 -4.345 2.064 568 H LEU 82 H LEU 82 -7.221 -2.160 -1.426 569 HA LEU 82 HA LEU 82 -6.535 0.160 0.254 570 HB2 LEU 82 1HB LEU 82 -5.941 -0.246 -2.673 571 HB3 LEU 82 2HB LEU 82 -5.687 1.260 -1.793 572 HG LEU 82 HG LEU 82 -4.330 -1.212 -0.825 573 HD11 LEU 82 1HD1 LEU 82 -2.915 0.427 -2.847 574 HD12 LEU 82 2HD1 LEU 82 -4.098 -0.744 -3.430 575 HD13 LEU 82 3HD1 LEU 82 -2.739 -1.281 -2.442 576 HD21 LEU 82 1HD2 LEU 82 -3.141 0.234 0.389 577 HD22 LEU 82 2HD2 LEU 82 -4.355 1.433 -0.058 578 HD23 LEU 82 3HD2 LEU 82 -2.864 1.296 -0.991 579 H LYS 83 H LYS 83 -8.086 1.635 0.431 580 HA LYS 83 HA LYS 83 -10.445 1.402 -1.277 581 HB2 LYS 83 1HB LYS 83 -10.381 1.588 1.353 582 HB3 LYS 83 2HB LYS 83 -10.272 3.311 1.017 583 HG2 LYS 83 1HG LYS 83 -12.366 3.311 -0.103 584 HG3 LYS 83 2HG LYS 83 -12.437 1.547 -0.097 585 HD2 LYS 83 1HD LYS 83 -13.799 1.985 1.683 586 HD3 LYS 83 2HD LYS 83 -12.246 1.912 2.519 587 HE2 LYS 83 1HE LYS 83 -12.065 4.339 2.417 588 HE3 LYS 83 2HE LYS 83 -13.587 4.429 1.532 589 HZ1 LYS 83 1HZ LYS 83 -13.208 3.496 4.325 590 HZ2 LYS 83 2HZ LYS 83 -14.672 3.403 3.482 591 HZ3 LYS 83 3HZ LYS 83 -13.988 4.912 3.824 592 H ILE 84 H ILE 84 -10.631 2.665 -2.995 593 HA ILE 84 HA ILE 84 -9.118 5.175 -3.095 594 HB ILE 84 HB ILE 84 -9.673 5.131 -5.538 595 HG12 ILE 84 1HG1 ILE 84 -10.382 2.243 -5.256 596 HG13 ILE 84 2HG1 ILE 84 -11.638 3.443 -4.974 597 HG21 ILE 84 1HG2 ILE 84 -8.103 3.251 -6.054 598 HG22 ILE 84 2HG2 ILE 84 -7.517 4.392 -4.845 599 HG23 ILE 84 3HG2 ILE 84 -8.151 2.825 -4.343 600 HD11 ILE 84 1HD1 ILE 84 -11.418 4.294 -7.185 601 HD12 ILE 84 2HD1 ILE 84 -9.981 3.314 -7.477 602 HD13 ILE 84 3HD1 ILE 84 -11.554 2.539 -7.288 603 H ASP 85 H ASP 85 -10.086 7.131 -3.665 604 HA ASP 85 HA ASP 85 -12.880 7.340 -2.908 605 HB2 ASP 85 1HB ASP 85 -10.880 8.921 -2.252 606 HB3 ASP 85 2HB ASP 85 -11.247 9.686 -3.796 607 H ARG 86 H ARG 86 -12.265 6.026 -5.408 608 HA ARG 86 HA ARG 86 -12.651 6.152 -7.683 609 HB2 ARG 86 1HB ARG 86 -14.887 5.914 -6.321 610 HB3 ARG 86 2HB ARG 86 -15.205 7.526 -6.947 611 HG2 ARG 86 1HG ARG 86 -14.960 6.697 -9.228 612 HG3 ARG 86 2HG ARG 86 -14.624 5.080 -8.605 613 HD2 ARG 86 1HD ARG 86 -16.803 4.773 -7.869 614 HD3 ARG 86 2HD ARG 86 -17.137 6.504 -7.829 615 HE ARG 86 HE ARG 86 -16.662 5.875 -10.473 616 HH11 ARG 86 2HH1 ARG 86 -18.932 4.949 -8.002 617 HH12 ARG 86 1HH1 ARG 86 -20.216 4.624 -9.119 618 HH21 ARG 86 2HH2 ARG 86 -18.344 5.451 -11.954 619 HH22 ARG 86 1HH2 ARG 86 -19.880 4.909 -11.367 620 H ALA 87 H ALA 87 -11.207 8.463 -6.703 621 HA ALA 87 HA ALA 87 -12.315 10.646 -8.320 622 HB1 ALA 87 1HB ALA 87 -11.451 10.855 -5.854 623 HB2 ALA 87 2HB ALA 87 -9.876 10.975 -6.639 624 HB3 ALA 87 3HB ALA 87 -11.145 12.137 -7.026 625 H GLU 88 H GLU 88 -11.768 10.104 -10.400 626 HA GLU 88 HA GLU 88 -9.057 9.310 -11.045 627 HB2 GLU 88 1HB GLU 88 -9.917 9.258 -13.389 628 HB3 GLU 88 2HB GLU 88 -10.810 8.229 -12.277 629 HG2 GLU 88 1HG GLU 88 -12.614 9.784 -12.170 630 HG3 GLU 88 2HG GLU 88 -11.696 10.991 -13.070 631 H THR 89 H THR 89 -11.185 12.085 -11.603 632 HA THR 89 HA THR 89 -9.096 13.560 -12.961 633 HB THR 89 HB THR 89 -10.934 15.446 -12.642 634 HG1 THR 89 1HG THR 89 -12.705 13.296 -12.780 635 HG21 THR 89 1HG2 THR 89 -11.553 15.041 -14.808 636 HG22 THR 89 2HG2 THR 89 -11.753 13.309 -14.542 637 HG23 THR 89 3HG2 THR 89 -10.138 13.994 -14.715 638 H ARG 90 H ARG 90 -10.118 13.074 -9.756 639 HA ARG 90 HA ARG 90 -9.841 14.293 -7.807 640 HB2 ARG 90 1HB ARG 90 -7.150 14.057 -9.125 641 HB3 ARG 90 2HB ARG 90 -7.318 14.800 -7.540 642 HG2 ARG 90 1HG ARG 90 -8.139 12.788 -6.588 643 HG3 ARG 90 2HG ARG 90 -8.315 12.037 -8.175 644 HD2 ARG 90 1HD ARG 90 -6.296 11.347 -6.794 645 HD3 ARG 90 2HD ARG 90 -5.991 11.843 -8.459 646 HE ARG 90 HE ARG 90 -5.230 13.270 -6.041 647 HH11 ARG 90 2HH1 ARG 90 -5.488 13.255 -9.512 648 HH12 ARG 90 1HH1 ARG 90 -4.353 14.546 -9.733 649 HH21 ARG 90 2HH2 ARG 90 -3.735 14.970 -6.317 650 HH22 ARG 90 1HH2 ARG 90 -3.356 15.520 -7.915 651 H LEU 91 H LEU 91 -10.986 16.008 -9.599 652 HA LEU 91 HA LEU 91 -9.453 18.503 -9.282 653 HB2 LEU 91 1HB LEU 91 -10.236 17.579 -11.600 654 HB3 LEU 91 2HB LEU 91 -11.793 18.250 -11.120 655 HG LEU 91 HG LEU 91 -10.586 20.460 -10.810 656 HD11 LEU 91 1HD1 LEU 91 -8.532 20.078 -12.678 657 HD12 LEU 91 2HD1 LEU 91 -8.359 18.786 -11.490 658 HD13 LEU 91 3HD1 LEU 91 -8.375 20.470 -10.965 659 HD21 LEU 91 1HD2 LEU 91 -11.151 19.082 -13.380 660 HD22 LEU 91 2HD2 LEU 91 -10.344 20.649 -13.439 661 HD23 LEU 91 3HD2 LEU 91 -11.920 20.497 -12.660 662 H TRP 92 H TRP 92 -12.894 17.640 -9.653 663 HA TRP 92 HA TRP 92 -13.511 19.561 -7.515 664 HB2 TRP 92 1HB TRP 92 -14.955 18.657 -9.957 665 HB3 TRP 92 2HB TRP 92 -15.926 19.085 -8.550 666 HD1 TRP 92 HD TRP 92 -15.233 21.664 -7.508 667 HE1 TRP 92 1HE TRP 92 -14.872 23.819 -8.869 668 HE3 TRP 92 3HE TRP 92 -14.303 19.587 -12.086 669 HZ2 TRP 92 2HZ TRP 92 -14.273 24.543 -11.530 670 HZ3 TRP 92 3HZ TRP 92 -13.845 21.081 -13.988 671 HH2 TRP 92 HH TRP 92 -13.832 23.507 -13.713 672 H SER 93 H SER 93 -13.967 18.750 -5.588 673 HA SER 93 HA SER 93 -15.156 16.056 -5.440 674 HB2 SER 93 1HB SER 93 -13.150 17.405 -3.632 675 HB3 SER 93 2HB SER 93 -14.070 15.987 -3.128 676 HG SER 93 HG SER 93 -11.948 15.585 -4.104 677 HA PRO 94 HA PRO 94 -18.183 19.087 -3.662 678 HB2 PRO 94 1HB PRO 94 -20.350 17.970 -4.855 679 HB3 PRO 94 2HB PRO 94 -19.342 19.190 -5.643 680 HG2 PRO 94 1HG PRO 94 -19.314 16.214 -5.965 681 HG3 PRO 94 2HG PRO 94 -19.199 17.475 -7.206 682 HD2 PRO 94 1HD PRO 94 -17.032 16.146 -6.274 683 HD3 PRO 94 2HD PRO 94 -16.958 17.838 -6.809 684 H GLN 95 H GLN 95 -18.558 15.579 -4.137 685 HA GLN 95 HA GLN 95 -18.914 15.121 -1.344 686 HB2 GLN 95 1HB GLN 95 -21.237 14.045 -1.736 687 HB3 GLN 95 2HB GLN 95 -21.136 15.788 -1.525 688 HG2 GLN 95 1HG GLN 95 -21.045 15.897 -4.082 689 HG3 GLN 95 2HG GLN 95 -21.608 14.227 -4.034 690 HE21 GLN 95 1HE2 GLN 95 -23.377 15.349 -5.264 691 HE22 GLN 95 2HE2 GLN 95 -24.701 15.966 -4.342 692 H VAL 96 H VAL 96 -17.893 13.270 -1.020 693 HA VAL 96 HA VAL 96 -18.419 10.990 -2.753 694 HB VAL 96 HB VAL 96 -16.012 10.476 -3.015 695 HG11 VAL 96 1HG1 VAL 96 -17.022 11.420 -4.913 696 HG12 VAL 96 2HG1 VAL 96 -17.095 13.024 -4.181 697 HG13 VAL 96 3HG1 VAL 96 -15.543 12.349 -4.677 698 HG21 VAL 96 1HG2 VAL 96 -15.576 12.261 -1.043 699 HG22 VAL 96 2HG2 VAL 96 -14.336 11.740 -2.184 700 HG23 VAL 96 3HG2 VAL 96 -15.202 13.253 -2.452 701 H SER 97 H SER 97 -16.953 9.070 -1.876 702 HA SER 97 HA SER 97 -17.888 8.403 0.644 703 HB2 SER 97 1HB SER 97 -16.785 6.940 -1.228 704 HB3 SER 97 2HB SER 97 -15.294 7.262 -0.342 705 HG SER 97 HG SER 97 -16.108 6.230 1.416 706 H SER 98 H SER 98 -17.287 8.850 2.665 707 HA SER 98 HA SER 98 -14.823 10.403 3.052 708 HB2 SER 98 1HB SER 98 -17.241 11.183 3.773 709 HB3 SER 98 2HB SER 98 -16.919 10.161 5.174 710 HG SER 98 HG SER 98 -15.405 11.511 5.834 711 H GLY 99 H GLY 99 -13.458 9.961 4.853 712 HA2 GLY 99 1HA GLY 99 -13.164 7.139 5.353 713 HA3 GLY 99 2HA GLY 99 -12.110 8.419 5.935 714 HA PRO 100 HA PRO 100 -15.067 6.716 9.276 715 HB2 PRO 100 1HB PRO 100 -13.332 5.087 10.582 716 HB3 PRO 100 2HB PRO 100 -14.372 4.526 9.267 717 HG2 PRO 100 1HG PRO 100 -11.482 5.307 9.197 718 HG3 PRO 100 2HG PRO 100 -12.289 3.932 8.420 719 HD2 PRO 100 1HD PRO 100 -11.648 6.194 7.077 720 HD3 PRO 100 2HD PRO 100 -13.075 5.218 6.676 721 H SER 101 H SER 101 -11.631 7.562 9.346 722 HA SER 101 HA SER 101 -11.338 8.300 11.988 723 HB2 SER 101 1HB SER 101 -9.635 8.292 9.991 724 HB3 SER 101 2HB SER 101 -10.095 9.988 9.844 725 HG SER 101 HG SER 101 -8.416 8.862 11.588 726 H SER 102 H SER 102 -12.546 10.256 9.287 727 HA SER 102 HA SER 102 -12.933 12.615 10.817 728 HB2 SER 102 1HB SER 102 -14.179 13.438 8.891 729 HB3 SER 102 2HB SER 102 -12.726 12.602 8.343 730 HG SER 102 HG SER 102 -13.949 10.888 7.707 731 H GLY 103 H GLY 103 -14.540 13.193 12.137 732 HA2 GLY 103 1HA GLY 103 -16.695 13.296 13.011 733 HA3 GLY 103 2HA GLY 103 -17.192 12.062 11.862 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -32.061 6.744 3.091 2 HA2 GLY 1 1HA GLY 1 -31.406 6.219 0.304 3 HA3 GLY 1 2HA GLY 1 -31.870 7.768 0.993 4 H SER 2 H SER 2 -29.335 5.948 -0.212 5 HA SER 2 HA SER 2 -27.447 8.036 0.245 6 HB2 SER 2 1HB SER 2 -25.826 6.793 1.574 7 HB3 SER 2 2HB SER 2 -27.355 6.892 2.447 8 HG SER 2 HG SER 2 -27.723 4.788 2.081 9 H SER 3 H SER 3 -25.351 7.579 -0.775 10 HA SER 3 HA SER 3 -25.553 5.467 -2.820 11 HB2 SER 3 1HB SER 3 -24.372 7.001 -4.376 12 HB3 SER 3 2HB SER 3 -25.938 7.633 -3.867 13 HG SER 3 HG SER 3 -24.317 9.232 -3.758 14 H GLY 4 H GLY 4 -23.601 4.501 -3.503 15 HA2 GLY 4 1HA GLY 4 -21.511 4.600 -1.452 16 HA3 GLY 4 2HA GLY 4 -21.733 3.327 -2.643 17 H SER 5 H SER 5 -19.574 5.475 -1.765 18 HA SER 5 HA SER 5 -18.794 6.155 -4.526 19 HB2 SER 5 1HB SER 5 -17.535 8.071 -3.519 20 HB3 SER 5 2HB SER 5 -19.282 8.186 -3.310 21 HG SER 5 HG SER 5 -17.283 7.699 -1.421 22 H SER 6 H SER 6 -17.700 5.085 -1.354 23 HA SER 6 HA SER 6 -15.010 4.942 -1.576 24 HB2 SER 6 1HB SER 6 -15.070 2.930 -0.164 25 HB3 SER 6 2HB SER 6 -16.253 4.119 0.381 26 HG SER 6 HG SER 6 -17.102 2.213 -1.466 27 H GLY 7 H GLY 7 -13.480 3.405 -2.328 28 HA2 GLY 7 1HA GLY 7 -14.478 1.637 -4.473 29 HA3 GLY 7 2HA GLY 7 -13.090 2.686 -4.727 30 H ASN 8 H ASN 8 -14.166 -0.340 -3.618 31 HA ASN 8 HA ASN 8 -11.890 -0.966 -1.987 32 HB2 ASN 8 1HB ASN 8 -12.799 -3.217 -1.912 33 HB3 ASN 8 2HB ASN 8 -14.100 -2.054 -1.678 34 HD21 ASN 8 1HD2 ASN 8 -12.666 -4.356 -3.855 35 HD22 ASN 8 2HD2 ASN 8 -14.018 -4.491 -4.921 36 H VAL 9 H VAL 9 -10.084 -2.139 -2.507 37 HA VAL 9 HA VAL 9 -9.776 -3.175 -5.213 38 HB VAL 9 HB VAL 9 -7.924 -1.086 -4.058 39 HG11 VAL 9 1HG1 VAL 9 -6.821 -3.012 -5.276 40 HG12 VAL 9 2HG1 VAL 9 -7.657 -2.451 -6.725 41 HG13 VAL 9 3HG1 VAL 9 -6.496 -1.401 -5.913 42 HG21 VAL 9 1HG2 VAL 9 -9.408 -0.960 -6.665 43 HG22 VAL 9 2HG2 VAL 9 -10.124 -0.386 -5.159 44 HG23 VAL 9 3HG2 VAL 9 -8.641 0.350 -5.767 45 H VAL 10 H VAL 10 -9.272 -5.223 -4.752 46 HA VAL 10 HA VAL 10 -7.214 -5.725 -2.702 47 HB VAL 10 HB VAL 10 -9.149 -7.799 -3.702 48 HG11 VAL 10 1HG1 VAL 10 -7.091 -8.486 -2.479 49 HG12 VAL 10 2HG1 VAL 10 -7.670 -7.571 -1.085 50 HG13 VAL 10 3HG1 VAL 10 -8.590 -8.955 -1.678 51 HG21 VAL 10 1HG2 VAL 10 -9.882 -6.833 -1.117 52 HG22 VAL 10 2HG2 VAL 10 -9.846 -5.481 -2.248 53 HG23 VAL 10 3HG2 VAL 10 -10.846 -6.892 -2.592 54 H LEU 11 H LEU 11 -5.340 -5.791 -3.822 55 HA LEU 11 HA LEU 11 -5.198 -7.199 -6.363 56 HB2 LEU 11 1HB LEU 11 -2.892 -5.955 -4.903 57 HB3 LEU 11 2HB LEU 11 -3.062 -6.260 -6.630 58 HG LEU 11 HG LEU 11 -4.630 -4.197 -5.084 59 HD11 LEU 11 1HD1 LEU 11 -3.193 -2.547 -5.988 60 HD12 LEU 11 2HD1 LEU 11 -2.369 -3.723 -7.011 61 HD13 LEU 11 3HD1 LEU 11 -2.156 -3.775 -5.261 62 HD21 LEU 11 1HD2 LEU 11 -4.409 -4.813 -8.027 63 HD22 LEU 11 2HD2 LEU 11 -5.170 -3.367 -7.363 64 HD23 LEU 11 3HD2 LEU 11 -5.843 -4.959 -7.011 65 HA PRO 12 HA PRO 12 -3.804 -10.993 -4.604 66 HB2 PRO 12 1HB PRO 12 -2.648 -12.057 -6.818 67 HB3 PRO 12 2HB PRO 12 -4.400 -11.956 -6.603 68 HG2 PRO 12 1HG PRO 12 -2.576 -10.164 -8.160 69 HG3 PRO 12 2HG PRO 12 -4.170 -10.800 -8.607 70 HD2 PRO 12 1HD PRO 12 -3.815 -8.281 -7.677 71 HD3 PRO 12 2HD PRO 12 -5.290 -9.216 -7.362 72 H GLY 13 H GLY 13 -2.083 -11.381 -3.363 73 HA2 GLY 13 1HA GLY 13 0.549 -10.409 -4.293 74 HA3 GLY 13 2HA GLY 13 0.044 -10.336 -2.612 75 HA PRO 14 HA PRO 14 1.667 -10.539 -1.460 76 HB2 PRO 14 1HB PRO 14 4.315 -11.069 -1.180 77 HB3 PRO 14 2HB PRO 14 3.079 -11.763 -0.123 78 HG2 PRO 14 1HG PRO 14 4.462 -12.987 -2.480 79 HG3 PRO 14 2HG PRO 14 4.085 -13.709 -0.905 80 HD2 PRO 14 1HD PRO 14 2.592 -14.173 -3.116 81 HD3 PRO 14 2HD PRO 14 1.894 -14.134 -1.484 82 H ALA 15 H ALA 15 3.804 -9.082 -1.782 83 HA ALA 15 HA ALA 15 3.566 -7.899 -4.305 84 HB1 ALA 15 1HB ALA 15 4.970 -7.382 -1.891 85 HB2 ALA 15 2HB ALA 15 6.104 -7.230 -3.234 86 HB3 ALA 15 3HB ALA 15 4.619 -6.278 -3.222 87 HA PRO 16 HA PRO 16 5.456 -6.412 -5.202 88 HB2 PRO 16 1HB PRO 16 5.632 -6.090 -7.891 89 HB3 PRO 16 2HB PRO 16 7.050 -6.173 -6.839 90 HG2 PRO 16 1HG PRO 16 5.821 -8.314 -8.532 91 HG3 PRO 16 2HG PRO 16 7.533 -7.911 -8.306 92 HD2 PRO 16 1HD PRO 16 6.341 -9.976 -7.023 93 HD3 PRO 16 2HD PRO 16 7.663 -9.038 -6.300 94 H TRP 17 H TRP 17 3.789 -5.059 -6.180 95 HA TRP 17 HA TRP 17 1.357 -6.605 -6.701 96 HB2 TRP 17 1HB TRP 17 1.634 -3.665 -6.046 97 HB3 TRP 17 2HB TRP 17 0.136 -4.589 -6.108 98 HD1 TRP 17 HD TRP 17 2.699 -3.437 -3.727 99 HE1 TRP 17 1HE TRP 17 2.429 -4.618 -1.456 100 HE3 TRP 17 3HE TRP 17 -0.517 -7.158 -5.124 101 HZ2 TRP 17 2HZ TRP 17 1.038 -6.834 -0.397 102 HZ3 TRP 17 3HZ TRP 17 -1.269 -8.767 -3.422 103 HH2 TRP 17 HH TRP 17 -0.506 -8.607 -1.108 104 H GLY 18 H GLY 18 3.040 -3.712 -7.932 105 HA2 GLY 18 1HA GLY 18 3.402 -3.749 -10.409 106 HA3 GLY 18 2HA GLY 18 1.704 -4.187 -10.526 107 H PHE 19 H PHE 19 1.536 -2.187 -8.075 108 HA PHE 19 HA PHE 19 1.093 0.148 -9.799 109 HB2 PHE 19 1HB PHE 19 -0.610 0.828 -8.360 110 HB3 PHE 19 2HB PHE 19 -0.763 -0.926 -8.327 111 HD1 PHE 19 2HD PHE 19 0.181 -2.193 -6.387 112 HD2 PHE 19 1HD PHE 19 -0.144 2.050 -6.411 113 HE1 PHE 19 2HE PHE 19 0.402 -2.166 -3.937 114 HE2 PHE 19 1HE PHE 19 0.078 2.085 -3.960 115 HZ PHE 19 HZ PHE 19 0.350 -0.026 -2.720 116 H ARG 20 H ARG 20 1.565 2.282 -8.907 117 HA ARG 20 HA ARG 20 3.936 2.213 -7.160 118 HB2 ARG 20 1HB ARG 20 3.241 4.351 -9.177 119 HB3 ARG 20 2HB ARG 20 4.753 4.166 -8.298 120 HG2 ARG 20 1HG ARG 20 3.681 2.498 -10.545 121 HG3 ARG 20 2HG ARG 20 5.202 3.388 -10.455 122 HD2 ARG 20 1HD ARG 20 6.057 1.846 -8.809 123 HD3 ARG 20 2HD ARG 20 4.506 1.010 -8.738 124 HE ARG 20 HE ARG 20 5.130 -0.176 -10.581 125 HH11 ARG 20 2HH1 ARG 20 7.046 2.727 -10.430 126 HH12 ARG 20 1HH1 ARG 20 8.044 2.294 -11.779 127 HH21 ARG 20 2HH2 ARG 20 6.437 -0.757 -12.358 128 HH22 ARG 20 1HH2 ARG 20 7.696 0.313 -12.875 129 H LEU 21 H LEU 21 4.290 4.507 -6.144 130 HA LEU 21 HA LEU 21 1.743 5.629 -5.224 131 HB2 LEU 21 1HB LEU 21 2.869 5.736 -2.904 132 HB3 LEU 21 2HB LEU 21 2.127 4.228 -3.434 133 HG LEU 21 HG LEU 21 4.266 3.255 -3.883 134 HD11 LEU 21 1HD1 LEU 21 6.336 4.634 -3.263 135 HD12 LEU 21 2HD1 LEU 21 5.287 6.039 -3.446 136 HD13 LEU 21 3HD1 LEU 21 5.558 4.958 -4.813 137 HD21 LEU 21 1HD2 LEU 21 5.303 4.133 -1.453 138 HD22 LEU 21 2HD2 LEU 21 4.245 2.747 -1.719 139 HD23 LEU 21 3HD2 LEU 21 3.556 4.314 -1.294 140 H SER 22 H SER 22 1.802 7.792 -4.673 141 HA SER 22 HA SER 22 4.326 9.209 -4.588 142 HB2 SER 22 1HB SER 22 2.460 9.352 -6.913 143 HB3 SER 22 2HB SER 22 3.247 10.840 -6.388 144 HG SER 22 HG SER 22 4.369 9.473 -8.011 145 H GLY 23 H GLY 23 4.209 10.902 -3.241 146 HA2 GLY 23 1HA GLY 23 2.779 12.925 -2.705 147 HA3 GLY 23 2HA GLY 23 1.515 11.749 -2.379 148 H GLY 24 H GLY 24 1.236 12.239 -0.229 149 HA2 GLY 24 1HA GLY 24 2.108 11.010 1.835 150 HA3 GLY 24 2HA GLY 24 3.590 11.897 1.514 151 H ILE 25 H ILE 25 1.022 11.856 3.473 152 HA ILE 25 HA ILE 25 -0.118 14.343 3.572 153 HB ILE 25 HB ILE 25 -0.376 14.041 5.997 154 HG12 ILE 25 1HG1 ILE 25 1.319 11.559 5.688 155 HG13 ILE 25 2HG1 ILE 25 1.942 13.081 6.316 156 HG21 ILE 25 1HG2 ILE 25 -2.012 12.578 5.615 157 HG22 ILE 25 2HG2 ILE 25 -1.376 12.441 3.977 158 HG23 ILE 25 3HG2 ILE 25 -0.873 11.293 5.216 159 HD11 ILE 25 1HD1 ILE 25 -0.146 11.297 7.524 160 HD12 ILE 25 2HD1 ILE 25 1.429 11.744 8.182 161 HD13 ILE 25 3HD1 ILE 25 0.144 12.947 8.075 162 H ASP 26 H ASP 26 3.139 13.448 4.408 163 HA ASP 26 HA ASP 26 3.765 15.828 5.859 164 HB2 ASP 26 1HB ASP 26 6.004 15.040 5.894 165 HB3 ASP 26 2HB ASP 26 4.990 13.604 6.002 166 H PHE 27 H PHE 27 3.946 14.839 2.501 167 HA PHE 27 HA PHE 27 5.384 17.232 1.721 168 HB2 PHE 27 1HB PHE 27 4.194 14.992 0.072 169 HB3 PHE 27 2HB PHE 27 5.153 16.316 -0.579 170 HD1 PHE 27 2HD PHE 27 7.509 16.625 0.564 171 HD2 PHE 27 1HD PHE 27 5.248 13.019 0.580 172 HE1 PHE 27 2HE PHE 27 9.565 15.342 0.985 173 HE2 PHE 27 1HE PHE 27 7.301 11.730 1.002 174 HZ PHE 27 HZ PHE 27 9.464 12.892 1.204 175 H ASN 28 H ASN 28 2.412 16.907 2.754 176 HA ASN 28 HA ASN 28 0.467 18.060 2.511 177 HB2 ASN 28 1HB ASN 28 2.132 19.837 0.712 178 HB3 ASN 28 2HB ASN 28 0.555 20.245 1.382 179 HD21 ASN 28 1HD2 ASN 28 3.830 20.518 1.788 180 HD22 ASN 28 2HD2 ASN 28 3.864 20.970 3.456 181 H GLN 29 H GLN 29 1.011 15.839 0.771 182 HA GLN 29 HA GLN 29 -0.931 16.453 -1.314 183 HB2 GLN 29 1HB GLN 29 1.860 15.460 -1.805 184 HB3 GLN 29 2HB GLN 29 0.557 15.061 -2.916 185 HG2 GLN 29 1HG GLN 29 0.187 17.351 -3.432 186 HG3 GLN 29 2HG GLN 29 1.267 17.876 -2.141 187 HE21 GLN 29 1HE2 GLN 29 1.032 16.630 -5.354 188 HE22 GLN 29 2HE2 GLN 29 2.698 16.807 -5.773 189 HA PRO 30 HA PRO 30 -2.514 12.549 -0.021 190 HB2 PRO 30 1HB PRO 30 -4.161 12.070 -2.126 191 HB3 PRO 30 2HB PRO 30 -4.526 13.260 -0.871 192 HG2 PRO 30 1HG PRO 30 -3.374 13.680 -3.602 193 HG3 PRO 30 2HG PRO 30 -4.619 14.618 -2.758 194 HD2 PRO 30 1HD PRO 30 -2.038 15.423 -2.904 195 HD3 PRO 30 2HD PRO 30 -3.072 15.782 -1.507 196 H LEU 31 H LEU 31 -2.124 10.394 -0.335 197 HA LEU 31 HA LEU 31 -0.019 9.666 -2.105 198 HB2 LEU 31 1HB LEU 31 -1.864 7.908 -0.493 199 HB3 LEU 31 2HB LEU 31 -0.353 7.403 -1.247 200 HG LEU 31 HG LEU 31 -0.281 9.615 0.749 201 HD11 LEU 31 1HD1 LEU 31 -0.167 6.767 1.658 202 HD12 LEU 31 2HD1 LEU 31 -1.702 7.633 1.596 203 HD13 LEU 31 3HD1 LEU 31 -0.389 8.237 2.607 204 HD21 LEU 31 1HD2 LEU 31 1.773 7.807 1.164 205 HD22 LEU 31 2HD2 LEU 31 1.874 9.322 0.268 206 HD23 LEU 31 3HD2 LEU 31 1.555 7.812 -0.586 207 H VAL 32 H VAL 32 -0.386 9.635 -4.236 208 HA VAL 32 HA VAL 32 -2.688 8.068 -5.203 209 HB VAL 32 HB VAL 32 -2.720 9.556 -7.212 210 HG11 VAL 32 1HG1 VAL 32 -4.437 10.491 -6.164 211 HG12 VAL 32 2HG1 VAL 32 -3.745 10.030 -4.607 212 HG13 VAL 32 3HG1 VAL 32 -3.336 11.587 -5.329 213 HG21 VAL 32 1HG2 VAL 32 -0.521 10.818 -5.711 214 HG22 VAL 32 2HG2 VAL 32 -0.821 10.755 -7.447 215 HG23 VAL 32 3HG2 VAL 32 -1.682 11.923 -6.446 216 H ILE 33 H ILE 33 -2.312 6.637 -6.834 217 HA ILE 33 HA ILE 33 0.183 5.519 -7.186 218 HB ILE 33 HB ILE 33 -2.092 5.492 -9.174 219 HG12 ILE 33 1HG1 ILE 33 -1.415 3.434 -7.069 220 HG13 ILE 33 2HG1 ILE 33 -2.593 4.717 -6.812 221 HG21 ILE 33 1HG2 ILE 33 -0.897 4.121 -10.456 222 HG22 ILE 33 2HG2 ILE 33 0.507 4.560 -9.484 223 HG23 ILE 33 3HG2 ILE 33 -0.435 3.126 -9.075 224 HD11 ILE 33 1HD1 ILE 33 -4.165 3.603 -7.908 225 HD12 ILE 33 2HD1 ILE 33 -3.089 3.266 -9.265 226 HD13 ILE 33 3HD1 ILE 33 -3.082 2.212 -7.851 227 H THR 34 H THR 34 1.870 5.786 -8.563 228 HA THR 34 HA THR 34 1.938 8.281 -10.070 229 HB THR 34 HB THR 34 4.153 8.333 -9.700 230 HG1 THR 34 1HG THR 34 4.090 5.591 -10.419 231 HG21 THR 34 1HG2 THR 34 4.894 7.224 -7.717 232 HG22 THR 34 2HG2 THR 34 3.692 5.949 -7.911 233 HG23 THR 34 3HG2 THR 34 3.182 7.587 -7.505 234 H ARG 35 H ARG 35 2.040 4.817 -10.572 235 HA ARG 35 HA ARG 35 1.360 5.108 -13.331 236 HB2 ARG 35 1HB ARG 35 3.954 5.421 -13.099 237 HB3 ARG 35 2HB ARG 35 3.955 3.671 -12.922 238 HG2 ARG 35 1HG ARG 35 3.148 3.330 -15.083 239 HG3 ARG 35 2HG ARG 35 2.588 4.997 -15.233 240 HD2 ARG 35 1HD ARG 35 4.919 5.766 -15.222 241 HD3 ARG 35 2HD ARG 35 5.463 4.093 -15.100 242 HE ARG 35 HE ARG 35 3.767 4.597 -17.366 243 HH11 ARG 35 2HH1 ARG 35 7.032 4.671 -16.159 244 HH12 ARG 35 1HH1 ARG 35 7.754 4.538 -17.729 245 HH21 ARG 35 2HH2 ARG 35 4.705 4.421 -19.437 246 HH22 ARG 35 1HH2 ARG 35 6.429 4.397 -19.593 247 H ILE 36 H ILE 36 0.773 3.117 -14.315 248 HA ILE 36 HA ILE 36 0.553 0.864 -12.427 249 HB ILE 36 HB ILE 36 -1.474 1.786 -14.465 250 HG12 ILE 36 1HG1 ILE 36 -1.592 3.088 -12.444 251 HG13 ILE 36 2HG1 ILE 36 -2.935 1.950 -12.434 252 HG21 ILE 36 1HG2 ILE 36 -1.344 -0.640 -14.467 253 HG22 ILE 36 2HG2 ILE 36 -1.501 -0.667 -12.712 254 HG23 ILE 36 3HG2 ILE 36 -2.843 -0.105 -13.708 255 HD11 ILE 36 1HD1 ILE 36 -2.169 1.800 -10.280 256 HD12 ILE 36 2HD1 ILE 36 -1.303 0.471 -11.051 257 HD13 ILE 36 3HD1 ILE 36 -0.481 2.002 -10.750 258 H THR 37 H THR 37 0.997 -1.158 -13.177 259 HA THR 37 HA THR 37 2.540 -1.366 -15.575 260 HB THR 37 HB THR 37 1.516 -3.650 -13.883 261 HG1 THR 37 1HG THR 37 2.804 -1.832 -12.830 262 HG21 THR 37 1HG2 THR 37 3.882 -4.486 -14.689 263 HG22 THR 37 2HG2 THR 37 3.602 -3.330 -15.992 264 HG23 THR 37 3HG2 THR 37 2.464 -4.651 -15.723 265 HA PRO 38 HA PRO 38 -1.053 -2.096 -18.154 266 HB2 PRO 38 1HB PRO 38 0.334 -2.156 -20.487 267 HB3 PRO 38 2HB PRO 38 -0.092 -0.652 -19.661 268 HG2 PRO 38 1HG PRO 38 2.498 -2.154 -19.647 269 HG3 PRO 38 2HG PRO 38 2.217 -0.408 -19.784 270 HD2 PRO 38 1HD PRO 38 2.954 -1.587 -17.460 271 HD3 PRO 38 2HD PRO 38 1.911 -0.152 -17.514 272 H GLY 39 H GLY 39 -1.573 -4.199 -17.509 273 HA2 GLY 39 1HA GLY 39 -1.973 -6.365 -18.435 274 HA3 GLY 39 2HA GLY 39 -0.396 -6.291 -19.207 275 H SER 40 H SER 40 -1.687 -6.063 -15.887 276 HA SER 40 HA SER 40 -0.277 -8.389 -15.028 277 HB2 SER 40 1HB SER 40 1.504 -7.516 -13.855 278 HB3 SER 40 2HB SER 40 1.434 -6.366 -15.190 279 HG SER 40 HG SER 40 0.036 -5.096 -13.744 280 H LYS 41 H LYS 41 -0.241 -8.327 -12.447 281 HA LYS 41 HA LYS 41 -2.865 -8.429 -11.587 282 HB2 LYS 41 1HB LYS 41 -0.387 -7.948 -9.922 283 HB3 LYS 41 2HB LYS 41 -1.947 -8.456 -9.289 284 HG2 LYS 41 1HG LYS 41 -1.808 -10.542 -10.472 285 HG3 LYS 41 2HG LYS 41 -0.325 -10.027 -11.280 286 HD2 LYS 41 1HD LYS 41 0.956 -10.295 -9.394 287 HD3 LYS 41 2HD LYS 41 -0.404 -10.027 -8.302 288 HE2 LYS 41 1HE LYS 41 -1.321 -12.238 -9.095 289 HE3 LYS 41 2HE LYS 41 0.223 -12.498 -9.905 290 HZ1 LYS 41 1HZ LYS 41 -0.439 -12.678 -7.103 291 HZ2 LYS 41 2HZ LYS 41 0.990 -11.829 -7.415 292 HZ3 LYS 41 3HZ LYS 41 0.812 -13.418 -7.969 293 H ALA 42 H ALA 42 -0.796 -5.693 -11.917 294 HA ALA 42 HA ALA 42 -2.225 -3.975 -10.119 295 HB1 ALA 42 1HB ALA 42 -0.914 -2.202 -11.551 296 HB2 ALA 42 2HB ALA 42 -0.079 -3.225 -10.382 297 HB3 ALA 42 3HB ALA 42 -0.030 -3.627 -12.098 298 H ALA 43 H ALA 43 -1.747 -3.543 -13.621 299 HA ALA 43 HA ALA 43 -3.941 -1.874 -14.008 300 HB1 ALA 43 1HB ALA 43 -2.241 -1.959 -15.668 301 HB2 ALA 43 2HB ALA 43 -2.497 -3.685 -15.931 302 HB3 ALA 43 3HB ALA 43 -3.732 -2.526 -16.422 303 H ALA 44 H ALA 44 -3.684 -5.392 -14.426 304 HA ALA 44 HA ALA 44 -6.219 -5.904 -15.429 305 HB1 ALA 44 1HB ALA 44 -5.949 -8.173 -14.468 306 HB2 ALA 44 2HB ALA 44 -4.537 -7.621 -15.370 307 HB3 ALA 44 3HB ALA 44 -4.520 -7.600 -13.607 308 H ALA 45 H ALA 45 -5.347 -4.731 -12.361 309 HA ALA 45 HA ALA 45 -7.827 -5.640 -11.105 310 HB1 ALA 45 1HB ALA 45 -6.295 -5.878 -9.465 311 HB2 ALA 45 2HB ALA 45 -5.232 -4.635 -10.127 312 HB3 ALA 45 3HB ALA 45 -6.651 -4.173 -9.186 313 H ASN 46 H ASN 46 -7.444 -3.476 -13.263 314 HA ASN 46 HA ASN 46 -8.515 -1.554 -13.844 315 HB2 ASN 46 1HB ASN 46 -10.333 -2.757 -12.346 316 HB3 ASN 46 2HB ASN 46 -9.979 -1.432 -11.241 317 HD21 ASN 46 1HD2 ASN 46 -10.690 -2.018 -14.664 318 HD22 ASN 46 2HD2 ASN 46 -11.694 -0.627 -14.869 319 H LEU 47 H LEU 47 -6.041 -1.592 -12.230 320 HA LEU 47 HA LEU 47 -6.192 0.738 -10.529 321 HB2 LEU 47 1HB LEU 47 -3.841 -0.897 -11.469 322 HB3 LEU 47 2HB LEU 47 -3.752 0.411 -10.291 323 HG LEU 47 HG LEU 47 -5.246 -2.187 -9.933 324 HD11 LEU 47 1HD1 LEU 47 -3.502 -2.974 -8.685 325 HD12 LEU 47 2HD1 LEU 47 -2.919 -1.361 -8.276 326 HD13 LEU 47 3HD1 LEU 47 -2.618 -2.026 -9.882 327 HD21 LEU 47 1HD2 LEU 47 -6.434 -0.684 -8.640 328 HD22 LEU 47 2HD2 LEU 47 -5.012 0.296 -8.283 329 HD23 LEU 47 3HD2 LEU 47 -5.221 -1.272 -7.503 330 H CYS 48 H CYS 48 -5.346 2.755 -10.935 331 HA CYS 48 HA CYS 48 -4.001 3.307 -13.437 332 HB2 CYS 48 1HB CYS 48 -6.700 4.530 -12.826 333 HB3 CYS 48 2HB CYS 48 -5.642 5.017 -14.144 334 HG CYS 48 HG CYS 48 -5.949 2.803 -15.662 335 HA PRO 49 HA PRO 49 -2.059 6.364 -10.950 336 HB2 PRO 49 1HB PRO 49 -1.187 8.058 -12.884 337 HB3 PRO 49 2HB PRO 49 -0.454 6.477 -12.590 338 HG2 PRO 49 1HG PRO 49 -2.450 7.282 -14.671 339 HG3 PRO 49 2HG PRO 49 -1.016 6.253 -14.836 340 HD2 PRO 49 1HD PRO 49 -3.517 5.241 -14.612 341 HD3 PRO 49 2HD PRO 49 -2.088 4.404 -13.972 342 H GLY 50 H GLY 50 -3.576 7.443 -9.753 343 HA2 GLY 50 1HA GLY 50 -4.118 10.047 -9.966 344 HA3 GLY 50 2HA GLY 50 -5.341 9.371 -11.031 345 H ASP 51 H ASP 51 -5.274 6.942 -9.115 346 HA ASP 51 HA ASP 51 -7.524 7.767 -7.567 347 HB2 ASP 51 1HB ASP 51 -5.980 5.242 -7.924 348 HB3 ASP 51 2HB ASP 51 -6.988 5.394 -6.487 349 H VAL 52 H VAL 52 -7.694 8.205 -5.412 350 HA VAL 52 HA VAL 52 -5.185 8.781 -4.023 351 HB VAL 52 HB VAL 52 -8.015 9.572 -3.318 352 HG11 VAL 52 1HG1 VAL 52 -6.388 11.286 -1.983 353 HG12 VAL 52 2HG1 VAL 52 -7.109 9.838 -1.278 354 HG13 VAL 52 3HG1 VAL 52 -5.457 9.791 -1.895 355 HG21 VAL 52 1HG2 VAL 52 -6.216 10.612 -5.244 356 HG22 VAL 52 2HG2 VAL 52 -7.789 11.245 -4.761 357 HG23 VAL 52 3HG2 VAL 52 -6.330 11.780 -3.928 358 H ILE 53 H ILE 53 -4.441 7.522 -2.452 359 HA ILE 53 HA ILE 53 -5.906 5.207 -1.607 360 HB ILE 53 HB ILE 53 -3.317 6.257 -0.466 361 HG12 ILE 53 1HG1 ILE 53 -3.489 5.819 -3.039 362 HG13 ILE 53 2HG1 ILE 53 -2.119 5.178 -2.137 363 HG21 ILE 53 1HG2 ILE 53 -3.660 4.573 0.963 364 HG22 ILE 53 2HG2 ILE 53 -4.949 3.883 -0.022 365 HG23 ILE 53 3HG2 ILE 53 -3.264 3.515 -0.391 366 HD11 ILE 53 1HD1 ILE 53 -3.693 3.752 -3.832 367 HD12 ILE 53 2HD1 ILE 53 -2.694 3.064 -2.551 368 HD13 ILE 53 3HD1 ILE 53 -4.408 3.369 -2.267 369 H LEU 54 H LEU 54 -7.554 5.442 -0.236 370 HA LEU 54 HA LEU 54 -7.674 7.533 1.714 371 HB2 LEU 54 1HB LEU 54 -9.388 5.166 1.057 372 HB3 LEU 54 2HB LEU 54 -9.690 6.125 2.504 373 HG LEU 54 HG LEU 54 -9.658 7.273 -0.283 374 HD11 LEU 54 1HD1 LEU 54 -11.440 5.486 0.230 375 HD12 LEU 54 2HD1 LEU 54 -11.963 7.037 -0.426 376 HD13 LEU 54 3HD1 LEU 54 -12.137 6.705 1.297 377 HD21 LEU 54 1HD2 LEU 54 -11.157 8.518 1.929 378 HD22 LEU 54 2HD2 LEU 54 -10.202 9.257 0.643 379 HD23 LEU 54 3HD2 LEU 54 -9.399 8.577 2.060 380 H ALA 55 H ALA 55 -7.454 3.982 1.958 381 HA ALA 55 HA ALA 55 -5.895 4.295 4.410 382 HB1 ALA 55 1HB ALA 55 -8.616 3.206 4.262 383 HB2 ALA 55 2HB ALA 55 -7.460 2.199 5.134 384 HB3 ALA 55 3HB ALA 55 -7.727 3.868 5.635 385 H ILE 56 H ILE 56 -4.839 2.267 5.074 386 HA ILE 56 HA ILE 56 -4.313 0.537 2.747 387 HB ILE 56 HB ILE 56 -2.455 1.378 4.970 388 HG12 ILE 56 1HG1 ILE 56 -2.155 1.694 1.981 389 HG13 ILE 56 2HG1 ILE 56 -2.860 2.933 3.013 390 HG21 ILE 56 1HG2 ILE 56 -2.405 -0.965 3.216 391 HG22 ILE 56 2HG2 ILE 56 -0.913 -0.025 3.217 392 HG23 ILE 56 3HG2 ILE 56 -1.555 -0.661 4.731 393 HD11 ILE 56 1HD1 ILE 56 -0.665 3.611 2.795 394 HD12 ILE 56 2HD1 ILE 56 -0.654 2.752 4.336 395 HD13 ILE 56 3HD1 ILE 56 -0.040 1.965 2.883 396 H ASP 57 H ASP 57 -4.958 -1.493 2.951 397 HA ASP 57 HA ASP 57 -5.979 -3.309 3.951 398 HB2 ASP 57 1HB ASP 57 -4.225 -4.261 5.719 399 HB3 ASP 57 2HB ASP 57 -3.921 -4.308 3.985 400 H GLY 58 H GLY 58 -6.813 -0.832 5.162 401 HA2 GLY 58 1HA GLY 58 -8.360 -0.511 6.902 402 HA3 GLY 58 2HA GLY 58 -7.701 -1.920 7.719 403 H PHE 59 H PHE 59 -5.893 0.850 6.484 404 HA PHE 59 HA PHE 59 -5.435 1.782 9.219 405 HB2 PHE 59 1HB PHE 59 -3.327 0.823 7.304 406 HB3 PHE 59 2HB PHE 59 -2.947 2.030 8.528 407 HD1 PHE 59 1HD PHE 59 -4.044 -1.440 7.976 408 HD2 PHE 59 2HD PHE 59 -2.699 1.435 10.811 409 HE1 PHE 59 1HE PHE 59 -3.705 -3.232 9.626 410 HE2 PHE 59 2HE PHE 59 -2.357 -0.353 12.467 411 HZ PHE 59 HZ PHE 59 -2.859 -2.690 11.875 412 H GLY 60 H GLY 60 -6.237 3.789 9.078 413 HA2 GLY 60 1HA GLY 60 -6.549 5.401 6.894 414 HA3 GLY 60 2HA GLY 60 -6.286 6.023 8.517 415 H THR 61 H THR 61 -5.262 6.393 5.501 416 HA THR 61 HA THR 61 -2.402 6.513 6.049 417 HB THR 61 HB THR 61 -2.164 7.136 3.681 418 HG1 THR 61 1HG THR 61 -4.528 8.029 3.817 419 HG21 THR 61 1HG2 THR 61 -4.051 4.843 3.573 420 HG22 THR 61 2HG2 THR 61 -2.641 4.693 4.623 421 HG23 THR 61 3HG2 THR 61 -2.429 5.006 2.900 422 H GLU 62 H GLU 62 -5.143 8.564 6.042 423 HA GLU 62 HA GLU 62 -4.003 11.032 5.381 424 HB2 GLU 62 1HB GLU 62 -5.873 12.036 6.594 425 HB3 GLU 62 2HB GLU 62 -6.419 10.696 5.596 426 HG2 GLU 62 1HG GLU 62 -6.477 9.251 7.563 427 HG3 GLU 62 2HG GLU 62 -5.931 10.595 8.565 428 H SER 63 H SER 63 -3.322 9.005 7.969 429 HA SER 63 HA SER 63 -2.101 11.231 9.467 430 HB2 SER 63 1HB SER 63 -3.376 8.701 10.522 431 HB3 SER 63 2HB SER 63 -2.360 9.755 11.505 432 HG SER 63 HG SER 63 -4.295 10.597 11.866 433 H MET 64 H MET 64 -1.135 9.315 7.313 434 HA MET 64 HA MET 64 1.285 8.462 8.745 435 HB2 MET 64 1HB MET 64 1.257 6.336 7.903 436 HB3 MET 64 2HB MET 64 -0.476 6.619 8.006 437 HG2 MET 64 1HG MET 64 -0.522 7.223 5.643 438 HG3 MET 64 2HG MET 64 1.215 6.944 5.539 439 HE1 MET 64 1HE MET 64 -1.101 3.350 7.111 440 HE2 MET 64 2HE MET 64 -0.268 4.606 8.026 441 HE3 MET 64 3HE MET 64 -1.803 4.963 7.234 442 H THR 65 H THR 65 3.168 8.954 7.763 443 HA THR 65 HA THR 65 3.065 10.629 5.414 444 HB THR 65 HB THR 65 5.455 10.972 5.761 445 HG1 THR 65 1HG THR 65 5.415 9.356 8.064 446 HG21 THR 65 1HG2 THR 65 4.022 11.039 8.418 447 HG22 THR 65 2HG2 THR 65 3.799 12.231 7.137 448 HG23 THR 65 3HG2 THR 65 5.373 12.052 7.910 449 H HIS 66 H HIS 66 4.397 10.285 3.528 450 HA HIS 66 HA HIS 66 3.992 8.093 2.071 451 HB2 HIS 66 1HB HIS 66 5.447 10.260 1.609 452 HB3 HIS 66 2HB HIS 66 6.780 9.154 1.929 453 HD1 HIS 66 1HD HIS 66 3.730 9.352 -0.335 454 HD2 HIS 66 2HD HIS 66 7.554 7.730 -0.242 455 HE1 HIS 66 1HE HIS 66 4.082 8.329 -2.605 456 HE2 HIS 66 2HE HIS 66 6.369 7.279 -2.497 457 H ALA 67 H ALA 67 6.712 8.432 4.329 458 HA ALA 67 HA ALA 67 7.972 6.006 3.876 459 HB1 ALA 67 1HB ALA 67 9.008 6.268 6.007 460 HB2 ALA 67 2HB ALA 67 8.807 7.877 5.312 461 HB3 ALA 67 3HB ALA 67 7.709 7.318 6.573 462 H ASP 68 H ASP 68 5.375 6.741 6.193 463 HA ASP 68 HA ASP 68 5.136 4.230 7.356 464 HB2 ASP 68 1HB ASP 68 3.156 6.444 6.878 465 HB3 ASP 68 2HB ASP 68 2.668 4.943 7.660 466 H ALA 69 H ALA 69 3.116 5.532 4.716 467 HA ALA 69 HA ALA 69 1.623 3.355 4.083 468 HB1 ALA 69 1HB ALA 69 1.969 5.750 2.933 469 HB2 ALA 69 2HB ALA 69 2.784 4.734 1.744 470 HB3 ALA 69 3HB ALA 69 1.099 4.424 2.161 471 H GLN 70 H GLN 70 4.984 3.928 3.144 472 HA GLN 70 HA GLN 70 5.279 1.742 1.414 473 HB2 GLN 70 1HB GLN 70 7.380 3.009 3.180 474 HB3 GLN 70 2HB GLN 70 7.685 2.004 1.769 475 HG2 GLN 70 1HG GLN 70 6.019 4.433 1.416 476 HG3 GLN 70 2HG GLN 70 7.754 4.637 1.655 477 HE21 GLN 70 1HE2 GLN 70 7.501 5.558 -0.548 478 HE22 GLN 70 2HE2 GLN 70 7.639 4.478 -1.889 479 H ASP 71 H ASP 71 6.081 2.029 4.872 480 HA ASP 71 HA ASP 71 6.905 -0.638 5.212 481 HB2 ASP 71 1HB ASP 71 7.092 1.494 6.774 482 HB3 ASP 71 2HB ASP 71 5.616 0.831 7.470 483 H ARG 72 H ARG 72 3.845 0.630 4.626 484 HA ARG 72 HA ARG 72 2.424 -1.507 6.012 485 HB2 ARG 72 1HB ARG 72 1.632 1.034 4.658 486 HB3 ARG 72 2HB ARG 72 0.441 -0.254 4.782 487 HG2 ARG 72 1HG ARG 72 1.923 0.553 7.230 488 HG3 ARG 72 2HG ARG 72 0.640 1.601 6.624 489 HD2 ARG 72 1HD ARG 72 -1.003 0.017 6.981 490 HD3 ARG 72 2HD ARG 72 0.138 -1.326 6.928 491 HE ARG 72 HE ARG 72 -0.581 0.253 9.223 492 HH11 ARG 72 2HH1 ARG 72 1.832 -1.814 7.801 493 HH12 ARG 72 1HH1 ARG 72 2.511 -2.288 9.323 494 HH21 ARG 72 2HH2 ARG 72 0.303 -0.363 11.233 495 HH22 ARG 72 1HH2 ARG 72 1.640 -1.463 11.275 496 H ILE 73 H ILE 73 3.122 -0.389 2.738 497 HA ILE 73 HA ILE 73 1.560 -2.420 1.462 498 HB ILE 73 HB ILE 73 3.634 -0.493 0.442 499 HG12 ILE 73 1HG1 ILE 73 0.773 -0.690 -0.437 500 HG13 ILE 73 2HG1 ILE 73 1.166 0.100 1.086 501 HG21 ILE 73 1HG2 ILE 73 3.072 -1.266 -1.830 502 HG22 ILE 73 2HG2 ILE 73 3.868 -2.511 -0.869 503 HG23 ILE 73 3HG2 ILE 73 2.125 -2.577 -1.129 504 HD11 ILE 73 1HD1 ILE 73 1.981 0.892 -1.687 505 HD12 ILE 73 2HD1 ILE 73 1.050 1.812 -0.504 506 HD13 ILE 73 3HD1 ILE 73 2.772 1.536 -0.248 507 H LYS 74 H LYS 74 4.942 -2.038 2.352 508 HA LYS 74 HA LYS 74 5.849 -4.365 0.965 509 HB2 LYS 74 1HB LYS 74 7.929 -4.046 2.235 510 HB3 LYS 74 2HB LYS 74 7.384 -2.545 1.498 511 HG2 LYS 74 1HG LYS 74 7.897 -1.757 3.556 512 HG3 LYS 74 2HG LYS 74 6.231 -2.247 3.869 513 HD2 LYS 74 1HD LYS 74 7.307 -3.222 5.649 514 HD3 LYS 74 2HD LYS 74 7.351 -4.542 4.477 515 HE2 LYS 74 1HE LYS 74 9.599 -4.301 4.088 516 HE3 LYS 74 2HE LYS 74 9.599 -2.590 4.514 517 HZ1 LYS 74 1HZ LYS 74 10.350 -3.174 6.498 518 HZ2 LYS 74 2HZ LYS 74 10.195 -4.820 6.141 519 HZ3 LYS 74 3HZ LYS 74 8.890 -3.973 6.805 520 H ALA 75 H ALA 75 4.724 -3.683 4.225 521 HA ALA 75 HA ALA 75 5.275 -6.418 5.077 522 HB1 ALA 75 1HB ALA 75 4.323 -5.574 7.270 523 HB2 ALA 75 2HB ALA 75 5.825 -4.825 6.724 524 HB3 ALA 75 3HB ALA 75 4.292 -3.975 6.527 525 H ALA 76 H ALA 76 3.054 -5.294 3.157 526 HA ALA 76 HA ALA 76 0.550 -5.776 4.275 527 HB1 ALA 76 1HB ALA 76 0.765 -4.702 2.134 528 HB2 ALA 76 2HB ALA 76 1.480 -6.154 1.433 529 HB3 ALA 76 3HB ALA 76 -0.207 -6.162 1.947 530 H SER 77 H SER 77 -0.827 -7.672 3.060 531 HA SER 77 HA SER 77 0.487 -10.169 3.905 532 HB2 SER 77 1HB SER 77 -2.338 -9.196 4.094 533 HB3 SER 77 2HB SER 77 -2.038 -10.929 3.977 534 HG SER 77 HG SER 77 -1.825 -10.700 6.075 535 H TYR 78 H TYR 78 -0.745 -12.131 2.812 536 HA TYR 78 HA TYR 78 0.083 -12.450 0.271 537 HB2 TYR 78 1HB TYR 78 -1.766 -14.125 -0.021 538 HB3 TYR 78 2HB TYR 78 -0.840 -14.313 1.464 539 HD1 TYR 78 1HD TYR 78 -1.831 -13.611 3.632 540 HD2 TYR 78 2HD TYR 78 -4.095 -13.624 0.031 541 HE1 TYR 78 1HE TYR 78 -3.908 -13.519 4.946 542 HE2 TYR 78 2HE TYR 78 -6.179 -13.531 1.334 543 HH TYR 78 HH TYR 78 -6.758 -14.330 3.937 544 H GLN 79 H GLN 79 -2.639 -10.569 1.286 545 HA GLN 79 HA GLN 79 -3.134 -9.839 -1.519 546 HB2 GLN 79 1HB GLN 79 -5.540 -9.651 -1.025 547 HB3 GLN 79 2HB GLN 79 -4.952 -11.296 -0.825 548 HG2 GLN 79 1HG GLN 79 -5.008 -11.130 1.532 549 HG3 GLN 79 2HG GLN 79 -5.256 -9.386 1.471 550 HE21 GLN 79 1HE2 GLN 79 -7.262 -8.667 1.618 551 HE22 GLN 79 2HE2 GLN 79 -8.693 -9.612 1.407 552 H LEU 80 H LEU 80 -3.319 -7.700 -1.922 553 HA LEU 80 HA LEU 80 -2.922 -5.894 0.348 554 HB2 LEU 80 1HB LEU 80 -1.278 -5.657 -1.357 555 HB3 LEU 80 2HB LEU 80 -2.510 -5.572 -2.615 556 HG LEU 80 HG LEU 80 -3.206 -3.381 -1.802 557 HD11 LEU 80 1HD1 LEU 80 -2.842 -3.342 0.482 558 HD12 LEU 80 2HD1 LEU 80 -1.557 -2.298 -0.126 559 HD13 LEU 80 3HD1 LEU 80 -1.196 -3.962 0.335 560 HD21 LEU 80 1HD2 LEU 80 -0.484 -2.616 -1.952 561 HD22 LEU 80 2HD2 LEU 80 -1.705 -2.584 -3.225 562 HD23 LEU 80 3HD2 LEU 80 -0.705 -4.019 -2.998 563 H CYS 81 H CYS 81 -4.628 -4.881 1.147 564 HA CYS 81 HA CYS 81 -6.924 -4.365 -0.620 565 HB2 CYS 81 1HB CYS 81 -7.040 -5.772 1.618 566 HB3 CYS 81 2HB CYS 81 -7.137 -4.177 2.355 567 HG CYS 81 HG CYS 81 -9.557 -5.929 1.208 568 H LEU 82 H LEU 82 -6.786 -2.362 -1.413 569 HA LEU 82 HA LEU 82 -6.190 -0.175 0.469 570 HB2 LEU 82 1HB LEU 82 -5.563 -0.279 -2.478 571 HB3 LEU 82 2HB LEU 82 -5.240 1.077 -1.400 572 HG LEU 82 HG LEU 82 -3.964 -1.647 -1.159 573 HD11 LEU 82 1HD1 LEU 82 -1.919 -0.322 -1.918 574 HD12 LEU 82 2HD1 LEU 82 -3.068 0.877 -2.511 575 HD13 LEU 82 3HD1 LEU 82 -3.103 -0.767 -3.147 576 HD21 LEU 82 1HD2 LEU 82 -4.190 -0.262 0.922 577 HD22 LEU 82 2HD2 LEU 82 -3.184 0.956 0.139 578 HD23 LEU 82 3HD2 LEU 82 -2.533 -0.652 0.459 579 H LYS 83 H LYS 83 -7.755 1.273 0.725 580 HA LYS 83 HA LYS 83 -10.074 1.164 -1.046 581 HB2 LYS 83 1HB LYS 83 -10.286 1.068 1.473 582 HB3 LYS 83 2HB LYS 83 -9.771 2.749 1.505 583 HG2 LYS 83 1HG LYS 83 -11.706 3.413 0.232 584 HG3 LYS 83 2HG LYS 83 -12.197 1.728 0.042 585 HD2 LYS 83 1HD LYS 83 -13.518 2.307 1.812 586 HD3 LYS 83 2HD LYS 83 -12.079 1.781 2.689 587 HE2 LYS 83 1HE LYS 83 -12.259 4.629 1.851 588 HE3 LYS 83 2HE LYS 83 -13.258 4.094 3.201 589 HZ1 LYS 83 1HZ LYS 83 -11.339 4.739 4.250 590 HZ2 LYS 83 2HZ LYS 83 -10.328 4.218 2.998 591 HZ3 LYS 83 3HZ LYS 83 -11.038 3.088 4.037 592 H ILE 84 H ILE 84 -10.647 2.757 -2.410 593 HA ILE 84 HA ILE 84 -9.077 5.250 -2.336 594 HB ILE 84 HB ILE 84 -9.341 5.355 -4.809 595 HG12 ILE 84 1HG1 ILE 84 -10.088 2.439 -4.671 596 HG13 ILE 84 2HG1 ILE 84 -11.309 3.704 -4.759 597 HG21 ILE 84 1HG2 ILE 84 -7.773 3.250 -5.163 598 HG22 ILE 84 2HG2 ILE 84 -7.223 4.688 -4.306 599 HG23 ILE 84 3HG2 ILE 84 -7.762 3.275 -3.400 600 HD11 ILE 84 1HD1 ILE 84 -10.895 2.824 -6.952 601 HD12 ILE 84 2HD1 ILE 84 -10.292 4.480 -6.868 602 HD13 ILE 84 3HD1 ILE 84 -9.166 3.126 -6.788 603 H ASP 85 H ASP 85 -10.143 7.143 -3.195 604 HA ASP 85 HA ASP 85 -12.913 7.251 -2.404 605 HB2 ASP 85 1HB ASP 85 -11.376 9.085 -1.841 606 HB3 ASP 85 2HB ASP 85 -11.120 9.399 -3.556 607 H ARG 86 H ARG 86 -11.074 7.414 -5.400 608 HA ARG 86 HA ARG 86 -11.705 7.143 -7.572 609 HB2 ARG 86 1HB ARG 86 -13.341 5.466 -6.331 610 HB3 ARG 86 2HB ARG 86 -14.551 6.637 -6.836 611 HG2 ARG 86 1HG ARG 86 -13.574 6.379 -9.179 612 HG3 ARG 86 2HG ARG 86 -12.757 4.950 -8.543 613 HD2 ARG 86 1HD ARG 86 -14.784 4.213 -9.544 614 HD3 ARG 86 2HD ARG 86 -15.000 4.116 -7.797 615 HE ARG 86 HE ARG 86 -15.963 6.585 -8.512 616 HH11 ARG 86 2HH1 ARG 86 -16.655 3.282 -9.364 617 HH12 ARG 86 1HH1 ARG 86 -18.329 3.580 -9.694 618 HH21 ARG 86 2HH2 ARG 86 -18.166 6.991 -8.944 619 HH22 ARG 86 1HH2 ARG 86 -19.187 5.691 -9.456 620 H ALA 87 H ALA 87 -11.581 9.686 -6.645 621 HA ALA 87 HA ALA 87 -14.011 11.075 -7.473 622 HB1 ALA 87 1HB ALA 87 -13.280 12.173 -5.622 623 HB2 ALA 87 2HB ALA 87 -11.582 11.812 -5.941 624 HB3 ALA 87 3HB ALA 87 -12.397 13.089 -6.844 625 H GLU 88 H GLU 88 -14.266 11.484 -9.564 626 HA GLU 88 HA GLU 88 -12.108 11.462 -11.427 627 HB2 GLU 88 1HB GLU 88 -13.772 11.955 -13.102 628 HB3 GLU 88 2HB GLU 88 -14.424 10.760 -11.990 629 HG2 GLU 88 1HG GLU 88 -15.688 12.502 -10.845 630 HG3 GLU 88 2HG GLU 88 -15.026 13.709 -11.947 631 H THR 89 H THR 89 -13.922 13.962 -9.769 632 HA THR 89 HA THR 89 -12.563 16.067 -11.264 633 HB THR 89 HB THR 89 -14.550 16.406 -9.014 634 HG1 THR 89 1HG THR 89 -16.080 16.656 -10.744 635 HG21 THR 89 1HG2 THR 89 -14.812 18.501 -10.777 636 HG22 THR 89 2HG2 THR 89 -13.072 18.211 -10.772 637 HG23 THR 89 3HG2 THR 89 -13.916 18.544 -9.260 638 H ARG 90 H ARG 90 -11.048 14.320 -9.486 639 HA ARG 90 HA ARG 90 -10.463 15.362 -7.002 640 HB2 ARG 90 1HB ARG 90 -8.942 13.802 -9.020 641 HB3 ARG 90 2HB ARG 90 -8.013 14.557 -7.732 642 HG2 ARG 90 1HG ARG 90 -9.224 13.367 -6.058 643 HG3 ARG 90 2HG ARG 90 -10.375 12.759 -7.251 644 HD2 ARG 90 1HD ARG 90 -7.430 12.112 -7.133 645 HD3 ARG 90 2HD ARG 90 -8.744 11.048 -6.632 646 HE ARG 90 HE ARG 90 -9.218 10.614 -8.854 647 HH11 ARG 90 2HH1 ARG 90 -6.833 13.136 -8.586 648 HH12 ARG 90 1HH1 ARG 90 -6.411 13.095 -10.265 649 HH21 ARG 90 2HH2 ARG 90 -8.671 10.551 -11.068 650 HH22 ARG 90 1HH2 ARG 90 -7.457 11.625 -11.677 651 H LEU 91 H LEU 91 -10.427 17.566 -6.834 652 HA LEU 91 HA LEU 91 -8.353 18.983 -8.372 653 HB2 LEU 91 1HB LEU 91 -10.962 19.914 -7.210 654 HB3 LEU 91 2HB LEU 91 -9.698 21.041 -7.696 655 HG LEU 91 HG LEU 91 -11.017 19.066 -9.554 656 HD11 LEU 91 1HD1 LEU 91 -12.763 20.433 -9.603 657 HD12 LEU 91 2HD1 LEU 91 -11.704 21.681 -10.259 658 HD13 LEU 91 3HD1 LEU 91 -11.967 21.574 -8.519 659 HD21 LEU 91 1HD2 LEU 91 -9.721 21.472 -10.604 660 HD22 LEU 91 2HD2 LEU 91 -9.645 19.802 -11.166 661 HD23 LEU 91 3HD2 LEU 91 -8.620 20.332 -9.831 662 H TRP 92 H TRP 92 -9.687 18.382 -5.191 663 HA TRP 92 HA TRP 92 -7.213 19.372 -4.005 664 HB2 TRP 92 1HB TRP 92 -8.479 20.611 -2.251 665 HB3 TRP 92 2HB TRP 92 -8.648 21.310 -3.859 666 HD1 TRP 92 HD TRP 92 -10.646 19.087 -1.400 667 HE1 TRP 92 1HE TRP 92 -13.153 19.460 -1.847 668 HE3 TRP 92 3HE TRP 92 -10.295 22.169 -5.464 669 HZ2 TRP 92 2HZ TRP 92 -14.768 20.874 -3.681 670 HZ3 TRP 92 3HZ TRP 92 -12.368 22.988 -6.506 671 HH2 TRP 92 HH TRP 92 -14.558 22.352 -5.631 672 H SER 93 H SER 93 -7.628 19.061 -1.404 673 HA SER 93 HA SER 93 -7.617 16.275 -1.032 674 HB2 SER 93 1HB SER 93 -6.627 18.224 0.431 675 HB3 SER 93 2HB SER 93 -8.186 18.133 1.250 676 HG SER 93 HG SER 93 -6.543 16.773 2.176 677 HA PRO 94 HA PRO 94 -12.078 15.778 -1.059 678 HB2 PRO 94 1HB PRO 94 -12.007 13.064 -1.014 679 HB3 PRO 94 2HB PRO 94 -11.739 14.008 -2.484 680 HG2 PRO 94 1HG PRO 94 -9.736 12.745 -0.653 681 HG3 PRO 94 2HG PRO 94 -9.765 12.780 -2.425 682 HD2 PRO 94 1HD PRO 94 -8.205 14.439 -0.961 683 HD3 PRO 94 2HD PRO 94 -8.902 14.915 -2.523 684 H GLN 95 H GLN 95 -13.473 14.054 0.270 685 HA GLN 95 HA GLN 95 -12.505 14.128 3.052 686 HB2 GLN 95 1HB GLN 95 -15.145 14.883 1.880 687 HB3 GLN 95 2HB GLN 95 -15.111 14.187 3.495 688 HG2 GLN 95 1HG GLN 95 -15.062 16.495 3.830 689 HG3 GLN 95 2HG GLN 95 -13.395 15.969 4.062 690 HE21 GLN 95 1HE2 GLN 95 -12.214 17.648 3.433 691 HE22 GLN 95 2HE2 GLN 95 -12.332 18.438 1.901 692 H VAL 96 H VAL 96 -13.362 12.470 4.466 693 HA VAL 96 HA VAL 96 -12.981 9.921 3.780 694 HB VAL 96 HB VAL 96 -14.526 9.192 5.536 695 HG11 VAL 96 1HG1 VAL 96 -12.315 10.151 6.108 696 HG12 VAL 96 2HG1 VAL 96 -13.088 11.721 6.332 697 HG13 VAL 96 3HG1 VAL 96 -13.515 10.368 7.380 698 HG21 VAL 96 1HG2 VAL 96 -16.445 10.311 5.740 699 HG22 VAL 96 2HG2 VAL 96 -15.530 11.513 6.651 700 HG23 VAL 96 3HG2 VAL 96 -15.795 11.732 4.921 701 H SER 97 H SER 97 -13.650 8.811 2.068 702 HA SER 97 HA SER 97 -15.948 9.349 0.564 703 HB2 SER 97 1HB SER 97 -15.490 7.261 -0.594 704 HB3 SER 97 2HB SER 97 -13.968 8.092 -0.271 705 HG SER 97 HG SER 97 -14.564 5.645 0.372 706 H SER 98 H SER 98 -15.349 6.872 3.036 707 HA SER 98 HA SER 98 -17.680 5.439 2.924 708 HB2 SER 98 1HB SER 98 -17.382 5.064 5.390 709 HB3 SER 98 2HB SER 98 -15.922 4.790 4.439 710 HG SER 98 HG SER 98 -16.550 7.138 5.907 711 H GLY 99 H GLY 99 -19.641 6.321 2.646 712 HA2 GLY 99 1HA GLY 99 -21.630 7.209 3.516 713 HA3 GLY 99 2HA GLY 99 -20.702 7.973 4.798 714 HA PRO 100 HA PRO 100 -21.621 10.825 1.015 715 HB2 PRO 100 1HB PRO 100 -24.094 11.767 1.619 716 HB3 PRO 100 2HB PRO 100 -23.829 10.355 0.590 717 HG2 PRO 100 1HG PRO 100 -24.550 10.475 3.493 718 HG3 PRO 100 2HG PRO 100 -25.192 9.416 2.224 719 HD2 PRO 100 1HD PRO 100 -23.322 8.592 4.001 720 HD3 PRO 100 2HD PRO 100 -23.392 7.981 2.335 721 H SER 101 H SER 101 -20.091 12.193 1.895 722 HA SER 101 HA SER 101 -20.210 13.476 4.364 723 HB2 SER 101 1HB SER 101 -18.618 15.132 3.328 724 HB3 SER 101 2HB SER 101 -18.142 13.445 3.139 725 HG SER 101 HG SER 101 -18.384 13.612 1.051 726 H SER 102 H SER 102 -21.052 15.378 5.088 727 HA SER 102 HA SER 102 -22.374 17.198 3.258 728 HB2 SER 102 1HB SER 102 -23.881 15.568 5.303 729 HB3 SER 102 2HB SER 102 -24.508 17.083 4.653 730 HG SER 102 HG SER 102 -25.245 15.840 3.125 731 H GLY 103 H GLY 103 -23.568 18.951 4.705 732 HA2 GLY 103 1HA GLY 103 -23.459 20.067 6.892 733 HA3 GLY 103 2HA GLY 103 -21.774 19.573 6.970 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -29.136 -4.153 -5.301 2 HA2 GLY 1 1HA GLY 1 -27.627 -2.656 -3.939 3 HA3 GLY 1 2HA GLY 1 -26.325 -3.684 -4.520 4 H SER 2 H SER 2 -25.334 -3.151 -6.367 5 HA SER 2 HA SER 2 -24.755 -1.966 -8.221 6 HB2 SER 2 1HB SER 2 -27.735 -2.189 -8.525 7 HB3 SER 2 2HB SER 2 -26.794 -1.252 -9.684 8 HG SER 2 HG SER 2 -26.691 -3.205 -10.555 9 H SER 3 H SER 3 -24.794 -0.521 -5.855 10 HA SER 3 HA SER 3 -25.578 2.146 -6.825 11 HB2 SER 3 1HB SER 3 -26.042 2.773 -4.455 12 HB3 SER 3 2HB SER 3 -27.137 1.535 -5.072 13 HG SER 3 HG SER 3 -24.814 0.665 -3.810 14 H GLY 4 H GLY 4 -24.396 3.903 -5.518 15 HA2 GLY 4 1HA GLY 4 -21.622 3.570 -5.913 16 HA3 GLY 4 2HA GLY 4 -22.384 4.920 -5.085 17 H SER 5 H SER 5 -20.357 2.290 -4.737 18 HA SER 5 HA SER 5 -20.548 2.480 -1.809 19 HB2 SER 5 1HB SER 5 -20.243 -0.038 -3.456 20 HB3 SER 5 2HB SER 5 -19.939 0.033 -1.720 21 HG SER 5 HG SER 5 -22.079 -0.644 -2.216 22 H SER 6 H SER 6 -18.604 2.283 -0.676 23 HA SER 6 HA SER 6 -16.389 3.511 -1.495 24 HB2 SER 6 1HB SER 6 -15.089 2.256 0.147 25 HB3 SER 6 2HB SER 6 -16.699 2.589 0.785 26 HG SER 6 HG SER 6 -16.211 0.182 -0.579 27 H GLY 7 H GLY 7 -14.988 3.323 -3.107 28 HA2 GLY 7 1HA GLY 7 -14.993 1.138 -4.899 29 HA3 GLY 7 2HA GLY 7 -13.809 2.437 -4.867 30 H ASN 8 H ASN 8 -14.685 -0.624 -3.311 31 HA ASN 8 HA ASN 8 -12.234 -0.965 -1.942 32 HB2 ASN 8 1HB ASN 8 -12.999 -3.121 -1.394 33 HB3 ASN 8 2HB ASN 8 -14.473 -2.170 -1.550 34 HD21 ASN 8 1HD2 ASN 8 -12.513 -4.672 -2.928 35 HD22 ASN 8 2HD2 ASN 8 -13.679 -5.242 -4.068 36 H VAL 9 H VAL 9 -10.341 -1.894 -2.523 37 HA VAL 9 HA VAL 9 -10.145 -3.155 -5.165 38 HB VAL 9 HB VAL 9 -8.309 -0.975 -4.164 39 HG11 VAL 9 1HG1 VAL 9 -6.997 -1.296 -6.133 40 HG12 VAL 9 2HG1 VAL 9 -7.155 -2.862 -5.335 41 HG13 VAL 9 3HG1 VAL 9 -8.129 -2.494 -6.759 42 HG21 VAL 9 1HG2 VAL 9 -9.615 -0.785 -6.797 43 HG22 VAL 9 2HG2 VAL 9 -10.685 -0.646 -5.402 44 HG23 VAL 9 3HG2 VAL 9 -9.322 0.459 -5.581 45 H VAL 10 H VAL 10 -9.588 -5.173 -4.619 46 HA VAL 10 HA VAL 10 -7.431 -5.537 -2.644 47 HB VAL 10 HB VAL 10 -9.256 -7.759 -3.490 48 HG11 VAL 10 1HG1 VAL 10 -7.221 -8.225 -2.164 49 HG12 VAL 10 2HG1 VAL 10 -7.847 -7.182 -0.886 50 HG13 VAL 10 3HG1 VAL 10 -8.707 -8.661 -1.320 51 HG21 VAL 10 1HG2 VAL 10 -10.554 -7.110 -1.341 52 HG22 VAL 10 2HG2 VAL 10 -9.886 -5.503 -1.625 53 HG23 VAL 10 3HG2 VAL 10 -10.907 -6.262 -2.846 54 H LEU 11 H LEU 11 -5.530 -6.003 -3.513 55 HA LEU 11 HA LEU 11 -5.439 -7.324 -6.132 56 HB2 LEU 11 1HB LEU 11 -3.070 -6.130 -4.750 57 HB3 LEU 11 2HB LEU 11 -3.343 -6.376 -6.474 58 HG LEU 11 HG LEU 11 -4.841 -4.349 -4.821 59 HD11 LEU 11 1HD1 LEU 11 -3.348 -2.695 -5.945 60 HD12 LEU 11 2HD1 LEU 11 -2.336 -4.043 -6.464 61 HD13 LEU 11 3HD1 LEU 11 -2.545 -3.708 -4.745 62 HD21 LEU 11 1HD2 LEU 11 -4.543 -4.790 -7.789 63 HD22 LEU 11 2HD2 LEU 11 -5.315 -3.384 -7.055 64 HD23 LEU 11 3HD2 LEU 11 -6.007 -4.991 -6.826 65 HA PRO 12 HA PRO 12 -4.098 -11.091 -4.270 66 HB2 PRO 12 1HB PRO 12 -3.027 -12.253 -6.477 67 HB3 PRO 12 2HB PRO 12 -4.770 -12.107 -6.218 68 HG2 PRO 12 1HG PRO 12 -2.953 -10.408 -7.884 69 HG3 PRO 12 2HG PRO 12 -4.572 -11.023 -8.266 70 HD2 PRO 12 1HD PRO 12 -4.138 -8.484 -7.431 71 HD3 PRO 12 2HD PRO 12 -5.623 -9.375 -7.045 72 H GLY 13 H GLY 13 -2.399 -11.118 -2.933 73 HA2 GLY 13 1HA GLY 13 0.229 -10.291 -3.978 74 HA3 GLY 13 2HA GLY 13 -0.235 -10.275 -2.283 75 HA PRO 14 HA PRO 14 1.315 -10.527 -1.090 76 HB2 PRO 14 1HB PRO 14 3.965 -11.023 -0.771 77 HB3 PRO 14 2HB PRO 14 2.718 -11.792 0.218 78 HG2 PRO 14 1HG PRO 14 4.180 -12.868 -2.163 79 HG3 PRO 14 2HG PRO 14 3.779 -13.677 -0.637 80 HD2 PRO 14 1HD PRO 14 2.349 -14.053 -2.905 81 HD3 PRO 14 2HD PRO 14 1.612 -14.111 -1.291 82 H ALA 15 H ALA 15 3.477 -9.049 -1.284 83 HA ALA 15 HA ALA 15 3.273 -7.786 -3.802 84 HB1 ALA 15 1HB ALA 15 4.456 -7.224 -1.284 85 HB2 ALA 15 2HB ALA 15 5.680 -6.985 -2.531 86 HB3 ALA 15 3HB ALA 15 4.145 -6.122 -2.626 87 HA PRO 16 HA PRO 16 5.173 -6.156 -4.480 88 HB2 PRO 16 1HB PRO 16 5.563 -5.724 -7.131 89 HB3 PRO 16 2HB PRO 16 6.887 -5.782 -5.963 90 HG2 PRO 16 1HG PRO 16 5.913 -7.910 -7.829 91 HG3 PRO 16 2HG PRO 16 7.578 -7.438 -7.441 92 HD2 PRO 16 1HD PRO 16 6.383 -9.603 -6.338 93 HD3 PRO 16 2HD PRO 16 7.592 -8.634 -5.471 94 H TRP 17 H TRP 17 3.721 -4.822 -6.057 95 HA TRP 17 HA TRP 17 1.349 -6.461 -6.666 96 HB2 TRP 17 1HB TRP 17 1.359 -3.511 -6.016 97 HB3 TRP 17 2HB TRP 17 -0.032 -4.587 -6.107 98 HD1 TRP 17 HD TRP 17 2.406 -3.181 -3.687 99 HE1 TRP 17 1HE TRP 17 2.118 -4.289 -1.382 100 HE3 TRP 17 3HE TRP 17 -0.616 -7.078 -5.033 101 HZ2 TRP 17 2HZ TRP 17 0.785 -6.521 -0.280 102 HZ3 TRP 17 3HZ TRP 17 -1.353 -8.655 -3.294 103 HH2 TRP 17 HH TRP 17 -0.665 -8.380 -0.967 104 H GLY 18 H GLY 18 2.958 -3.425 -7.640 105 HA2 GLY 18 1HA GLY 18 3.604 -3.452 -10.088 106 HA3 GLY 18 2HA GLY 18 1.924 -3.885 -10.367 107 H PHE 19 H PHE 19 1.693 -1.899 -7.846 108 HA PHE 19 HA PHE 19 1.387 0.473 -9.563 109 HB2 PHE 19 1HB PHE 19 -0.426 1.176 -8.212 110 HB3 PHE 19 2HB PHE 19 -0.676 -0.548 -8.467 111 HD1 PHE 19 1HD PHE 19 0.697 1.899 -6.037 112 HD2 PHE 19 2HD PHE 19 -0.941 -1.981 -6.656 113 HE1 PHE 19 1HE PHE 19 0.583 1.563 -3.602 114 HE2 PHE 19 2HE PHE 19 -1.059 -2.323 -4.222 115 HZ PHE 19 HZ PHE 19 -0.297 -0.550 -2.692 116 H ARG 20 H ARG 20 2.020 2.507 -8.779 117 HA ARG 20 HA ARG 20 4.069 2.371 -6.681 118 HB2 ARG 20 1HB ARG 20 3.667 4.612 -8.657 119 HB3 ARG 20 2HB ARG 20 5.089 4.276 -7.678 120 HG2 ARG 20 1HG ARG 20 4.073 2.692 -10.024 121 HG3 ARG 20 2HG ARG 20 5.557 3.643 -9.928 122 HD2 ARG 20 1HD ARG 20 6.301 2.109 -8.086 123 HD3 ARG 20 2HD ARG 20 4.902 1.101 -8.451 124 HE ARG 20 HE ARG 20 7.326 1.349 -10.001 125 HH11 ARG 20 2HH1 ARG 20 3.984 0.373 -9.978 126 HH12 ARG 20 1HH1 ARG 20 4.154 -0.706 -11.323 127 HH21 ARG 20 2HH2 ARG 20 7.562 -0.069 -11.773 128 HH22 ARG 20 1HH2 ARG 20 6.190 -0.958 -12.342 129 H LEU 21 H LEU 21 4.351 4.633 -5.574 130 HA LEU 21 HA LEU 21 1.698 5.657 -4.815 131 HB2 LEU 21 1HB LEU 21 2.872 5.978 -2.504 132 HB3 LEU 21 2HB LEU 21 2.145 4.433 -2.939 133 HG LEU 21 HG LEU 21 4.329 3.515 -3.453 134 HD11 LEU 21 1HD1 LEU 21 6.365 4.847 -2.921 135 HD12 LEU 21 2HD1 LEU 21 5.336 6.272 -2.776 136 HD13 LEU 21 3HD1 LEU 21 5.465 5.431 -4.321 137 HD21 LEU 21 1HD2 LEU 21 5.197 4.525 -0.939 138 HD22 LEU 21 2HD2 LEU 21 4.472 2.961 -1.311 139 HD23 LEU 21 3HD2 LEU 21 3.444 4.333 -0.892 140 H SER 22 H SER 22 1.627 7.835 -4.114 141 HA SER 22 HA SER 22 4.050 9.431 -4.437 142 HB2 SER 22 1HB SER 22 2.534 9.208 -6.613 143 HB3 SER 22 2HB SER 22 1.607 10.468 -5.799 144 HG SER 22 HG SER 22 3.313 11.233 -7.214 145 H GLY 23 H GLY 23 3.734 11.695 -3.713 146 HA2 GLY 23 1HA GLY 23 2.967 13.265 -2.217 147 HA3 GLY 23 2HA GLY 23 1.413 12.445 -2.251 148 H GLY 24 H GLY 24 1.212 12.818 0.012 149 HA2 GLY 24 1HA GLY 24 1.482 10.837 1.738 150 HA3 GLY 24 2HA GLY 24 3.126 11.459 1.753 151 H ILE 25 H ILE 25 0.797 11.373 3.743 152 HA ILE 25 HA ILE 25 -0.168 13.910 4.290 153 HB ILE 25 HB ILE 25 -0.438 13.190 6.612 154 HG12 ILE 25 1HG1 ILE 25 0.830 10.553 6.024 155 HG13 ILE 25 2HG1 ILE 25 1.881 11.908 6.422 156 HG21 ILE 25 1HG2 ILE 25 -1.094 10.673 5.259 157 HG22 ILE 25 2HG2 ILE 25 -2.140 11.825 6.088 158 HG23 ILE 25 3HG2 ILE 25 -1.643 12.125 4.423 159 HD11 ILE 25 1HD1 ILE 25 1.170 12.001 8.579 160 HD12 ILE 25 2HD1 ILE 25 -0.432 11.367 8.197 161 HD13 ILE 25 3HD1 ILE 25 0.954 10.279 8.266 162 H ASP 26 H ASP 26 3.036 12.810 4.414 163 HA ASP 26 HA ASP 26 3.911 14.762 6.380 164 HB2 ASP 26 1HB ASP 26 4.887 12.375 5.974 165 HB3 ASP 26 2HB ASP 26 5.773 13.152 4.665 166 H PHE 27 H PHE 27 3.646 14.432 2.947 167 HA PHE 27 HA PHE 27 5.308 16.808 2.512 168 HB2 PHE 27 1HB PHE 27 4.148 14.832 0.536 169 HB3 PHE 27 2HB PHE 27 5.149 16.215 0.109 170 HD1 PHE 27 1HD PHE 27 5.110 12.939 1.777 171 HD2 PHE 27 2HD PHE 27 7.511 16.162 0.378 172 HE1 PHE 27 1HE PHE 27 7.127 11.563 2.081 173 HE2 PHE 27 2HE PHE 27 9.532 14.792 0.679 174 HZ PHE 27 HZ PHE 27 9.342 12.489 1.531 175 H ASN 28 H ASN 28 2.336 16.410 3.455 176 HA ASN 28 HA ASN 28 0.393 17.583 3.314 177 HB2 ASN 28 1HB ASN 28 2.032 19.592 1.754 178 HB3 ASN 28 2HB ASN 28 0.510 19.896 2.586 179 HD21 ASN 28 1HD2 ASN 28 3.778 20.182 2.796 180 HD22 ASN 28 2HD2 ASN 28 3.943 20.335 4.509 181 H GLN 29 H GLN 29 0.760 15.574 1.414 182 HA GLN 29 HA GLN 29 -0.980 16.565 -0.707 183 HB2 GLN 29 1HB GLN 29 1.728 15.350 -1.121 184 HB3 GLN 29 2HB GLN 29 0.462 15.084 -2.312 185 HG2 GLN 29 1HG GLN 29 0.216 17.663 -2.254 186 HG3 GLN 29 2HG GLN 29 1.828 17.622 -1.542 187 HE21 GLN 29 1HE2 GLN 29 0.126 15.981 -4.194 188 HE22 GLN 29 2HE2 GLN 29 1.372 16.219 -5.367 189 HA PRO 30 HA PRO 30 -3.090 12.773 -0.032 190 HB2 PRO 30 1HB PRO 30 -4.262 12.427 -2.456 191 HB3 PRO 30 2HB PRO 30 -4.795 13.651 -1.297 192 HG2 PRO 30 1HG PRO 30 -3.032 13.955 -3.698 193 HG3 PRO 30 2HG PRO 30 -4.350 15.001 -3.138 194 HD2 PRO 30 1HD PRO 30 -1.742 15.580 -2.697 195 HD3 PRO 30 2HD PRO 30 -3.027 16.034 -1.559 196 H LEU 31 H LEU 31 -2.821 10.592 -0.279 197 HA LEU 31 HA LEU 31 -0.460 9.696 -1.623 198 HB2 LEU 31 1HB LEU 31 -2.566 8.441 0.067 199 HB3 LEU 31 2HB LEU 31 -1.532 7.399 -0.907 200 HG LEU 31 HG LEU 31 -0.595 9.331 1.214 201 HD11 LEU 31 1HD1 LEU 31 -1.819 6.988 1.678 202 HD12 LEU 31 2HD1 LEU 31 -0.526 7.628 2.691 203 HD13 LEU 31 3HD1 LEU 31 -0.163 6.423 1.456 204 HD21 LEU 31 1HD2 LEU 31 0.776 7.935 -0.937 205 HD22 LEU 31 2HD2 LEU 31 1.432 7.546 0.654 206 HD23 LEU 31 3HD2 LEU 31 1.346 9.226 0.121 207 H VAL 32 H VAL 32 -0.554 9.743 -3.802 208 HA VAL 32 HA VAL 32 -2.721 8.206 -5.081 209 HB VAL 32 HB VAL 32 -1.312 10.302 -6.650 210 HG11 VAL 32 1HG1 VAL 32 -3.107 8.650 -7.459 211 HG12 VAL 32 2HG1 VAL 32 -4.245 9.682 -6.591 212 HG13 VAL 32 3HG1 VAL 32 -3.276 10.347 -7.906 213 HG21 VAL 32 1HG2 VAL 32 -1.752 11.802 -4.999 214 HG22 VAL 32 2HG2 VAL 32 -3.335 11.798 -5.776 215 HG23 VAL 32 3HG2 VAL 32 -3.065 10.840 -4.321 216 H ILE 33 H ILE 33 -2.160 7.041 -6.988 217 HA ILE 33 HA ILE 33 0.416 5.823 -6.848 218 HB ILE 33 HB ILE 33 -1.803 5.542 -8.875 219 HG12 ILE 33 1HG1 ILE 33 -0.917 3.443 -6.927 220 HG13 ILE 33 2HG1 ILE 33 -1.974 4.741 -6.384 221 HG21 ILE 33 1HG2 ILE 33 -0.074 3.305 -8.912 222 HG22 ILE 33 2HG2 ILE 33 -0.400 4.457 -10.205 223 HG23 ILE 33 3HG2 ILE 33 0.924 4.750 -9.077 224 HD11 ILE 33 1HD1 ILE 33 -3.012 2.525 -7.172 225 HD12 ILE 33 2HD1 ILE 33 -3.725 4.041 -7.725 226 HD13 ILE 33 3HD1 ILE 33 -2.669 3.122 -8.796 227 H THR 34 H THR 34 2.183 6.082 -8.116 228 HA THR 34 HA THR 34 2.305 8.486 -9.731 229 HB THR 34 HB THR 34 4.619 8.341 -9.624 230 HG1 THR 34 1HG THR 34 5.737 6.409 -9.420 231 HG21 THR 34 1HG2 THR 34 4.288 8.738 -7.414 232 HG22 THR 34 2HG2 THR 34 5.028 7.146 -7.252 233 HG23 THR 34 3HG2 THR 34 3.273 7.312 -7.200 234 H ARG 35 H ARG 35 2.620 4.993 -10.174 235 HA ARG 35 HA ARG 35 1.909 5.256 -12.958 236 HB2 ARG 35 1HB ARG 35 4.679 4.605 -12.083 237 HB3 ARG 35 2HB ARG 35 4.021 3.698 -13.438 238 HG2 ARG 35 1HG ARG 35 3.481 5.912 -14.510 239 HG3 ARG 35 2HG ARG 35 4.437 6.666 -13.232 240 HD2 ARG 35 1HD ARG 35 6.307 5.079 -13.930 241 HD3 ARG 35 2HD ARG 35 5.343 4.761 -15.371 242 HE ARG 35 HE ARG 35 5.527 7.482 -15.256 243 HH11 ARG 35 2HH1 ARG 35 7.811 4.855 -15.315 244 HH12 ARG 35 1HH1 ARG 35 9.040 5.769 -16.126 245 HH21 ARG 35 2HH2 ARG 35 7.137 8.696 -16.324 246 HH22 ARG 35 1HH2 ARG 35 8.655 7.954 -16.699 247 H ILE 36 H ILE 36 1.758 3.064 -14.012 248 HA ILE 36 HA ILE 36 1.292 0.916 -12.066 249 HB ILE 36 HB ILE 36 -0.674 1.874 -14.141 250 HG12 ILE 36 1HG1 ILE 36 -0.593 2.895 -11.801 251 HG13 ILE 36 2HG1 ILE 36 -2.146 2.252 -12.325 252 HG21 ILE 36 1HG2 ILE 36 -0.843 -0.650 -12.503 253 HG22 ILE 36 2HG2 ILE 36 -2.022 -0.067 -13.676 254 HG23 ILE 36 3HG2 ILE 36 -0.426 -0.588 -14.215 255 HD11 ILE 36 1HD1 ILE 36 -0.300 0.516 -10.762 256 HD12 ILE 36 2HD1 ILE 36 -1.249 1.754 -9.938 257 HD13 ILE 36 3HD1 ILE 36 -2.061 0.490 -10.862 258 H THR 37 H THR 37 1.545 -1.174 -12.854 259 HA THR 37 HA THR 37 3.224 -1.389 -15.193 260 HB THR 37 HB THR 37 2.218 -3.751 -13.637 261 HG1 THR 37 1HG THR 37 4.193 -1.861 -12.847 262 HG21 THR 37 1HG2 THR 37 3.683 -3.897 -15.731 263 HG22 THR 37 2HG2 THR 37 4.228 -4.775 -14.301 264 HG23 THR 37 3HG2 THR 37 4.972 -3.234 -14.727 265 HA PRO 38 HA PRO 38 -0.240 -2.251 -17.867 266 HB2 PRO 38 1HB PRO 38 1.240 -2.640 -20.110 267 HB3 PRO 38 2HB PRO 38 0.884 -1.035 -19.460 268 HG2 PRO 38 1HG PRO 38 3.360 -2.690 -19.165 269 HG3 PRO 38 2HG PRO 38 3.207 -0.954 -19.489 270 HD2 PRO 38 1HD PRO 38 3.759 -1.934 -17.026 271 HD3 PRO 38 2HD PRO 38 2.820 -0.447 -17.274 272 H GLY 39 H GLY 39 -0.765 -4.264 -16.831 273 HA2 GLY 39 1HA GLY 39 -1.336 -6.484 -17.578 274 HA3 GLY 39 2HA GLY 39 0.240 -6.580 -18.351 275 H SER 40 H SER 40 -0.883 -5.785 -15.060 276 HA SER 40 HA SER 40 0.583 -8.076 -14.015 277 HB2 SER 40 1HB SER 40 2.097 -6.917 -12.719 278 HB3 SER 40 2HB SER 40 1.997 -5.833 -14.107 279 HG SER 40 HG SER 40 0.286 -4.745 -12.849 280 H LYS 41 H LYS 41 0.403 -7.775 -11.396 281 HA LYS 41 HA LYS 41 -2.263 -8.294 -10.781 282 HB2 LYS 41 1HB LYS 41 -0.167 -7.299 -8.846 283 HB3 LYS 41 2HB LYS 41 -1.597 -8.246 -8.460 284 HG2 LYS 41 1HG LYS 41 0.360 -9.383 -10.383 285 HG3 LYS 41 2HG LYS 41 0.783 -9.352 -8.670 286 HD2 LYS 41 1HD LYS 41 -0.994 -10.743 -8.082 287 HD3 LYS 41 2HD LYS 41 -1.869 -10.415 -9.580 288 HE2 LYS 41 1HE LYS 41 0.794 -11.785 -9.631 289 HE3 LYS 41 2HE LYS 41 -0.676 -12.694 -9.284 290 HZ1 LYS 41 1HZ LYS 41 -0.958 -11.003 -11.572 291 HZ2 LYS 41 2HZ LYS 41 -1.256 -12.660 -11.415 292 HZ3 LYS 41 3HZ LYS 41 0.306 -12.112 -11.760 293 H ALA 42 H ALA 42 -0.576 -5.293 -11.045 294 HA ALA 42 HA ALA 42 -2.511 -3.771 -9.537 295 HB1 ALA 42 1HB ALA 42 -1.072 -1.945 -11.001 296 HB2 ALA 42 2HB ALA 42 -0.672 -2.515 -9.380 297 HB3 ALA 42 3HB ALA 42 0.071 -3.272 -10.788 298 H ALA 43 H ALA 43 -1.403 -3.283 -12.884 299 HA ALA 43 HA ALA 43 -3.612 -1.881 -13.772 300 HB1 ALA 43 1HB ALA 43 -2.923 -2.623 -16.063 301 HB2 ALA 43 2HB ALA 43 -1.630 -1.917 -15.093 302 HB3 ALA 43 3HB ALA 43 -1.726 -3.666 -15.296 303 H ALA 44 H ALA 44 -3.055 -5.380 -13.804 304 HA ALA 44 HA ALA 44 -5.378 -6.102 -15.212 305 HB1 ALA 44 1HB ALA 44 -4.031 -7.773 -13.102 306 HB2 ALA 44 2HB ALA 44 -4.963 -8.326 -14.494 307 HB3 ALA 44 3HB ALA 44 -3.390 -7.566 -14.732 308 H ALA 45 H ALA 45 -4.927 -4.985 -12.002 309 HA ALA 45 HA ALA 45 -7.511 -6.026 -11.113 310 HB1 ALA 45 1HB ALA 45 -5.980 -6.317 -9.406 311 HB2 ALA 45 2HB ALA 45 -5.182 -4.775 -9.719 312 HB3 ALA 45 3HB ALA 45 -6.766 -4.806 -8.946 313 H ASN 46 H ASN 46 -7.288 -3.956 -13.190 314 HA ASN 46 HA ASN 46 -8.280 -2.004 -13.802 315 HB2 ASN 46 1HB ASN 46 -9.933 -2.156 -11.291 316 HB3 ASN 46 2HB ASN 46 -10.387 -1.516 -12.867 317 HD21 ASN 46 1HD2 ASN 46 -11.366 -3.728 -10.975 318 HD22 ASN 46 2HD2 ASN 46 -11.619 -5.069 -12.034 319 H LEU 47 H LEU 47 -5.885 -1.704 -12.456 320 HA LEU 47 HA LEU 47 -6.316 0.568 -10.648 321 HB2 LEU 47 1HB LEU 47 -3.878 -1.124 -11.170 322 HB3 LEU 47 2HB LEU 47 -3.902 0.282 -10.108 323 HG LEU 47 HG LEU 47 -5.399 -2.306 -9.709 324 HD11 LEU 47 1HD1 LEU 47 -3.793 -2.925 -8.265 325 HD12 LEU 47 2HD1 LEU 47 -3.528 -1.280 -7.687 326 HD13 LEU 47 3HD1 LEU 47 -2.791 -1.813 -9.198 327 HD21 LEU 47 1HD2 LEU 47 -6.838 -1.121 -8.496 328 HD22 LEU 47 2HD2 LEU 47 -5.881 0.350 -8.673 329 HD23 LEU 47 3HD2 LEU 47 -5.511 -0.793 -7.382 330 H CYS 48 H CYS 48 -5.176 2.525 -10.951 331 HA CYS 48 HA CYS 48 -3.679 2.939 -13.389 332 HB2 CYS 48 1HB CYS 48 -6.469 3.936 -13.023 333 HB3 CYS 48 2HB CYS 48 -5.311 4.985 -13.833 334 HG CYS 48 HG CYS 48 -6.257 1.856 -14.844 335 HA PRO 49 HA PRO 49 -1.650 5.880 -10.831 336 HB2 PRO 49 1HB PRO 49 -0.532 7.459 -12.735 337 HB3 PRO 49 2HB PRO 49 0.054 5.832 -12.371 338 HG2 PRO 49 1HG PRO 49 -1.743 6.747 -14.583 339 HG3 PRO 49 2HG PRO 49 -0.388 5.604 -14.642 340 HD2 PRO 49 1HD PRO 49 -2.971 4.797 -14.556 341 HD3 PRO 49 2HD PRO 49 -1.654 3.865 -13.816 342 H GLY 50 H GLY 50 -3.342 6.979 -9.817 343 HA2 GLY 50 1HA GLY 50 -3.600 9.664 -10.096 344 HA3 GLY 50 2HA GLY 50 -4.812 9.039 -11.205 345 H ASP 51 H ASP 51 -5.085 6.668 -9.289 346 HA ASP 51 HA ASP 51 -7.358 7.607 -7.918 347 HB2 ASP 51 1HB ASP 51 -5.789 5.081 -7.960 348 HB3 ASP 51 2HB ASP 51 -6.859 5.341 -6.586 349 H VAL 52 H VAL 52 -7.714 8.162 -5.800 350 HA VAL 52 HA VAL 52 -5.338 8.966 -4.299 351 HB VAL 52 HB VAL 52 -8.245 9.629 -3.808 352 HG11 VAL 52 1HG1 VAL 52 -7.635 10.896 -2.017 353 HG12 VAL 52 2HG1 VAL 52 -6.385 9.655 -1.913 354 HG13 VAL 52 3HG1 VAL 52 -6.021 11.216 -2.651 355 HG21 VAL 52 1HG2 VAL 52 -7.386 11.941 -4.546 356 HG22 VAL 52 2HG2 VAL 52 -6.043 11.052 -5.265 357 HG23 VAL 52 3HG2 VAL 52 -7.696 10.730 -5.790 358 H ILE 53 H ILE 53 -4.568 7.283 -3.147 359 HA ILE 53 HA ILE 53 -6.048 5.189 -2.046 360 HB ILE 53 HB ILE 53 -3.442 6.276 -0.978 361 HG12 ILE 53 1HG1 ILE 53 -3.691 5.641 -3.519 362 HG13 ILE 53 2HG1 ILE 53 -2.284 5.111 -2.604 363 HG21 ILE 53 1HG2 ILE 53 -5.065 3.890 -0.422 364 HG22 ILE 53 2HG2 ILE 53 -3.345 3.591 -0.662 365 HG23 ILE 53 3HG2 ILE 53 -3.878 4.718 0.585 366 HD11 ILE 53 1HD1 ILE 53 -4.692 3.359 -2.823 367 HD12 ILE 53 2HD1 ILE 53 -3.505 3.432 -4.126 368 HD13 ILE 53 3HD1 ILE 53 -3.012 2.921 -2.512 369 H LEU 54 H LEU 54 -7.690 5.464 -0.674 370 HA LEU 54 HA LEU 54 -7.759 7.608 1.237 371 HB2 LEU 54 1HB LEU 54 -9.568 5.304 0.597 372 HB3 LEU 54 2HB LEU 54 -9.849 6.322 2.008 373 HG LEU 54 HG LEU 54 -9.759 7.323 -0.836 374 HD11 LEU 54 1HD1 LEU 54 -12.324 7.627 0.183 375 HD12 LEU 54 2HD1 LEU 54 -11.850 5.995 0.651 376 HD13 LEU 54 3HD1 LEU 54 -11.801 6.474 -1.045 377 HD21 LEU 54 1HD2 LEU 54 -11.181 9.006 0.948 378 HD22 LEU 54 2HD2 LEU 54 -9.698 9.351 0.058 379 HD23 LEU 54 3HD2 LEU 54 -9.614 8.646 1.673 380 H ALA 55 H ALA 55 -7.619 4.057 1.472 381 HA ALA 55 HA ALA 55 -6.162 4.339 3.994 382 HB1 ALA 55 1HB ALA 55 -7.593 2.407 4.891 383 HB2 ALA 55 2HB ALA 55 -8.294 4.026 4.885 384 HB3 ALA 55 3HB ALA 55 -8.747 2.863 3.638 385 H ILE 56 H ILE 56 -5.159 2.271 4.684 386 HA ILE 56 HA ILE 56 -4.564 0.540 2.374 387 HB ILE 56 HB ILE 56 -2.675 1.586 4.476 388 HG12 ILE 56 1HG1 ILE 56 -2.429 1.635 1.468 389 HG13 ILE 56 2HG1 ILE 56 -3.189 2.932 2.384 390 HG21 ILE 56 1HG2 ILE 56 -2.329 -0.829 4.157 391 HG22 ILE 56 2HG2 ILE 56 -2.130 -0.557 2.427 392 HG23 ILE 56 3HG2 ILE 56 -0.969 0.124 3.566 393 HD11 ILE 56 1HD1 ILE 56 -0.491 2.650 1.761 394 HD12 ILE 56 2HD1 ILE 56 -1.223 3.826 2.853 395 HD13 ILE 56 3HD1 ILE 56 -0.613 2.296 3.484 396 H ASP 57 H ASP 57 -4.814 -1.583 2.676 397 HA ASP 57 HA ASP 57 -5.619 -3.476 3.699 398 HB2 ASP 57 1HB ASP 57 -3.200 -2.630 5.259 399 HB3 ASP 57 2HB ASP 57 -4.092 -4.074 5.732 400 H GLY 58 H GLY 58 -6.918 -0.977 4.555 401 HA2 GLY 58 1HA GLY 58 -8.760 -0.693 5.969 402 HA3 GLY 58 2HA GLY 58 -8.206 -2.058 6.928 403 H PHE 59 H PHE 59 -6.314 0.780 6.022 404 HA PHE 59 HA PHE 59 -6.460 1.765 8.774 405 HB2 PHE 59 1HB PHE 59 -3.975 0.885 7.333 406 HB3 PHE 59 2HB PHE 59 -3.895 2.139 8.567 407 HD1 PHE 59 2HD PHE 59 -4.705 1.595 10.892 408 HD2 PHE 59 1HD PHE 59 -4.064 -1.377 7.913 409 HE1 PHE 59 2HE PHE 59 -4.608 -0.133 12.641 410 HE2 PHE 59 1HE PHE 59 -3.967 -3.110 9.657 411 HZ PHE 59 HZ PHE 59 -4.238 -2.488 12.025 412 H GLY 60 H GLY 60 -7.285 3.739 8.467 413 HA2 GLY 60 1HA GLY 60 -7.286 5.315 6.244 414 HA3 GLY 60 2HA GLY 60 -7.307 5.967 7.876 415 H THR 61 H THR 61 -5.910 6.557 5.138 416 HA THR 61 HA THR 61 -3.121 6.560 5.921 417 HB THR 61 HB THR 61 -2.644 7.457 3.748 418 HG1 THR 61 1HG THR 61 -4.613 7.877 2.367 419 HG21 THR 61 1HG2 THR 61 -4.326 5.123 4.092 420 HG22 THR 61 2HG2 THR 61 -2.916 5.351 3.056 421 HG23 THR 61 3HG2 THR 61 -4.515 5.829 2.487 422 H GLU 62 H GLU 62 -5.028 8.118 7.509 423 HA GLU 62 HA GLU 62 -4.477 10.890 6.886 424 HB2 GLU 62 1HB GLU 62 -6.539 10.853 7.843 425 HB3 GLU 62 2HB GLU 62 -6.186 9.421 8.800 426 HG2 GLU 62 1HG GLU 62 -5.330 10.621 10.544 427 HG3 GLU 62 2HG GLU 62 -4.837 11.968 9.520 428 H SER 63 H SER 63 -3.250 8.400 8.983 429 HA SER 63 HA SER 63 -1.341 10.340 10.117 430 HB2 SER 63 1HB SER 63 -3.082 9.101 11.653 431 HB3 SER 63 2HB SER 63 -1.953 7.755 11.501 432 HG SER 63 HG SER 63 -0.308 9.224 12.242 433 H MET 64 H MET 64 -1.437 8.317 7.737 434 HA MET 64 HA MET 64 1.051 6.888 8.379 435 HB2 MET 64 1HB MET 64 -0.297 5.217 7.603 436 HB3 MET 64 2HB MET 64 -1.260 6.306 6.613 437 HG2 MET 64 1HG MET 64 0.112 6.114 4.813 438 HG3 MET 64 2HG MET 64 1.547 5.833 5.796 439 HE1 MET 64 1HE MET 64 -1.680 4.128 6.577 440 HE2 MET 64 2HE MET 64 -1.966 3.900 4.851 441 HE3 MET 64 3HE MET 64 -1.577 2.514 5.872 442 H THR 65 H THR 65 2.770 8.064 7.821 443 HA THR 65 HA THR 65 2.715 9.968 5.676 444 HB THR 65 HB THR 65 5.048 10.390 6.201 445 HG1 THR 65 1HG THR 65 6.030 9.085 7.889 446 HG21 THR 65 1HG2 THR 65 4.834 11.034 8.545 447 HG22 THR 65 2HG2 THR 65 3.443 9.966 8.724 448 HG23 THR 65 3HG2 THR 65 3.342 11.376 7.670 449 H HIS 66 H HIS 66 3.962 9.918 3.764 450 HA HIS 66 HA HIS 66 3.802 7.809 2.120 451 HB2 HIS 66 1HB HIS 66 4.877 10.213 1.807 452 HB3 HIS 66 2HB HIS 66 6.380 9.311 1.982 453 HD1 HIS 66 1HD HIS 66 3.204 8.492 0.043 454 HD2 HIS 66 2HD HIS 66 7.295 8.935 -0.529 455 HE1 HIS 66 1HE HIS 66 3.611 7.913 -2.370 456 HE2 HIS 66 2HE HIS 66 6.104 8.106 -2.671 457 H ALA 67 H ALA 67 6.717 8.464 4.071 458 HA ALA 67 HA ALA 67 8.183 6.222 3.418 459 HB1 ALA 67 1HB ALA 67 8.087 7.458 6.164 460 HB2 ALA 67 2HB ALA 67 9.424 6.568 5.433 461 HB3 ALA 67 3HB ALA 67 8.964 8.148 4.797 462 H ASP 68 H ASP 68 5.597 6.550 5.794 463 HA ASP 68 HA ASP 68 5.887 4.010 6.987 464 HB2 ASP 68 1HB ASP 68 4.434 6.143 7.634 465 HB3 ASP 68 2HB ASP 68 3.183 5.249 6.775 466 H ALA 69 H ALA 69 3.760 5.152 4.376 467 HA ALA 69 HA ALA 69 2.364 2.817 3.881 468 HB1 ALA 69 1HB ALA 69 1.502 3.961 2.169 469 HB2 ALA 69 2HB ALA 69 2.515 5.300 2.710 470 HB3 ALA 69 3HB ALA 69 3.084 4.222 1.435 471 H GLN 70 H GLN 70 5.657 3.623 3.111 472 HA GLN 70 HA GLN 70 6.071 1.618 1.138 473 HB2 GLN 70 1HB GLN 70 8.192 2.811 2.917 474 HB3 GLN 70 2HB GLN 70 8.387 2.147 1.300 475 HG2 GLN 70 1HG GLN 70 6.546 4.443 1.610 476 HG3 GLN 70 2HG GLN 70 8.273 4.754 1.779 477 HE21 GLN 70 1HE2 GLN 70 7.534 6.087 -0.174 478 HE22 GLN 70 2HE2 GLN 70 7.737 5.333 -1.715 479 H ASP 71 H ASP 71 6.095 1.645 4.608 480 HA ASP 71 HA ASP 71 7.352 -0.985 4.745 481 HB2 ASP 71 1HB ASP 71 7.664 1.087 6.382 482 HB3 ASP 71 2HB ASP 71 6.259 0.370 7.166 483 H ARG 72 H ARG 72 4.271 0.346 4.464 484 HA ARG 72 HA ARG 72 2.941 -1.860 5.837 485 HB2 ARG 72 1HB ARG 72 2.106 0.797 4.794 486 HB3 ARG 72 2HB ARG 72 0.891 -0.474 4.827 487 HG2 ARG 72 1HG ARG 72 2.499 -0.008 7.280 488 HG3 ARG 72 2HG ARG 72 1.245 1.161 6.861 489 HD2 ARG 72 1HD ARG 72 -0.388 -0.684 6.735 490 HD3 ARG 72 2HD ARG 72 0.875 -1.809 7.235 491 HE ARG 72 HE ARG 72 -0.566 0.044 8.906 492 HH11 ARG 72 2HH1 ARG 72 2.306 -1.892 8.553 493 HH12 ARG 72 1HH1 ARG 72 2.617 -1.975 10.256 494 HH21 ARG 72 2HH2 ARG 72 -0.167 -0.058 11.150 495 HH22 ARG 72 1HH2 ARG 72 1.209 -0.932 11.732 496 H ILE 73 H ILE 73 3.509 -0.601 2.611 497 HA ILE 73 HA ILE 73 1.729 -2.422 1.303 498 HB ILE 73 HB ILE 73 3.937 -0.654 0.262 499 HG12 ILE 73 1HG1 ILE 73 0.961 -0.492 -0.218 500 HG13 ILE 73 2HG1 ILE 73 1.751 0.323 1.127 501 HG21 ILE 73 1HG2 ILE 73 3.726 -2.681 -1.129 502 HG22 ILE 73 2HG2 ILE 73 2.016 -2.318 -1.359 503 HG23 ILE 73 3HG2 ILE 73 3.243 -1.216 -1.984 504 HD11 ILE 73 1HD1 ILE 73 2.130 0.812 -1.809 505 HD12 ILE 73 2HD1 ILE 73 1.505 1.919 -0.586 506 HD13 ILE 73 3HD1 ILE 73 3.209 1.464 -0.576 507 H LYS 74 H LYS 74 5.215 -2.305 1.891 508 HA LYS 74 HA LYS 74 5.765 -4.705 0.431 509 HB2 LYS 74 1HB LYS 74 8.007 -4.453 1.148 510 HB3 LYS 74 2HB LYS 74 7.402 -2.822 0.894 511 HG2 LYS 74 1HG LYS 74 7.156 -2.467 3.238 512 HG3 LYS 74 2HG LYS 74 7.498 -4.164 3.584 513 HD2 LYS 74 1HD LYS 74 9.533 -2.598 2.083 514 HD3 LYS 74 2HD LYS 74 9.358 -2.294 3.813 515 HE2 LYS 74 1HE LYS 74 10.896 -3.973 3.888 516 HE3 LYS 74 2HE LYS 74 9.422 -4.939 3.908 517 HZ1 LYS 74 1HZ LYS 74 11.487 -5.105 2.095 518 HZ2 LYS 74 2HZ LYS 74 10.223 -4.370 1.246 519 HZ3 LYS 74 3HZ LYS 74 9.982 -5.870 1.991 520 H ALA 75 H ALA 75 5.102 -3.899 3.782 521 HA ALA 75 HA ALA 75 5.588 -6.647 4.632 522 HB1 ALA 75 1HB ALA 75 4.654 -4.327 6.312 523 HB2 ALA 75 2HB ALA 75 5.335 -5.856 6.870 524 HB3 ALA 75 3HB ALA 75 6.350 -4.703 6.005 525 H ALA 76 H ALA 76 3.172 -5.244 3.061 526 HA ALA 76 HA ALA 76 0.833 -5.647 4.492 527 HB1 ALA 76 1HB ALA 76 -0.245 -5.957 2.251 528 HB2 ALA 76 2HB ALA 76 0.748 -4.507 2.404 529 HB3 ALA 76 3HB ALA 76 1.369 -5.914 1.542 530 H SER 77 H SER 77 -0.834 -7.402 3.508 531 HA SER 77 HA SER 77 0.375 -9.987 4.187 532 HB2 SER 77 1HB SER 77 -2.441 -8.928 4.316 533 HB3 SER 77 2HB SER 77 -2.114 -10.660 4.382 534 HG SER 77 HG SER 77 -1.922 -10.215 6.445 535 H TYR 78 H TYR 78 -0.933 -11.881 3.100 536 HA TYR 78 HA TYR 78 -0.168 -12.229 0.549 537 HB2 TYR 78 1HB TYR 78 -2.251 -13.725 0.294 538 HB3 TYR 78 2HB TYR 78 -1.124 -14.099 1.593 539 HD1 TYR 78 1HD TYR 78 -1.729 -13.687 3.924 540 HD2 TYR 78 2HD TYR 78 -4.472 -12.894 0.769 541 HE1 TYR 78 1HE TYR 78 -3.563 -13.561 5.558 542 HE2 TYR 78 2HE TYR 78 -6.313 -12.764 2.394 543 HH TYR 78 HH TYR 78 -6.008 -13.815 5.604 544 H GLN 79 H GLN 79 -2.806 -10.241 1.604 545 HA GLN 79 HA GLN 79 -3.224 -9.388 -1.171 546 HB2 GLN 79 1HB GLN 79 -5.610 -9.353 -0.924 547 HB3 GLN 79 2HB GLN 79 -5.042 -10.959 -0.487 548 HG2 GLN 79 1HG GLN 79 -5.355 -10.547 1.818 549 HG3 GLN 79 2HG GLN 79 -5.595 -8.821 1.547 550 HE21 GLN 79 1HE2 GLN 79 -7.573 -8.971 2.677 551 HE22 GLN 79 2HE2 GLN 79 -8.985 -9.617 1.920 552 H LEU 80 H LEU 80 -3.414 -7.228 -1.449 553 HA LEU 80 HA LEU 80 -3.281 -5.572 0.977 554 HB2 LEU 80 1HB LEU 80 -1.355 -5.425 -0.529 555 HB3 LEU 80 2HB LEU 80 -2.424 -4.937 -1.843 556 HG LEU 80 HG LEU 80 -3.010 -2.917 -0.409 557 HD11 LEU 80 1HD1 LEU 80 -0.835 -4.151 1.202 558 HD12 LEU 80 2HD1 LEU 80 -2.291 -3.304 1.726 559 HD13 LEU 80 3HD1 LEU 80 -0.920 -2.392 1.095 560 HD21 LEU 80 1HD2 LEU 80 -1.291 -1.666 -1.348 561 HD22 LEU 80 2HD2 LEU 80 -1.379 -3.081 -2.398 562 HD23 LEU 80 3HD2 LEU 80 -0.114 -2.967 -1.173 563 H CYS 81 H CYS 81 -5.241 -4.840 1.502 564 HA CYS 81 HA CYS 81 -7.167 -4.175 -0.579 565 HB2 CYS 81 1HB CYS 81 -7.635 -5.452 1.658 566 HB3 CYS 81 2HB CYS 81 -7.691 -3.837 2.353 567 HG CYS 81 HG CYS 81 -10.037 -5.466 0.773 568 H LEU 82 H LEU 82 -7.069 -2.212 -1.439 569 HA LEU 82 HA LEU 82 -6.506 0.068 0.340 570 HB2 LEU 82 1HB LEU 82 -5.810 -0.127 -2.584 571 HB3 LEU 82 2HB LEU 82 -5.414 1.195 -1.488 572 HG LEU 82 HG LEU 82 -4.358 -1.571 -1.010 573 HD11 LEU 82 1HD1 LEU 82 -3.873 -0.233 -3.357 574 HD12 LEU 82 2HD1 LEU 82 -2.828 -1.452 -2.628 575 HD13 LEU 82 3HD1 LEU 82 -2.522 0.260 -2.336 576 HD21 LEU 82 1HD2 LEU 82 -3.501 -0.539 0.759 577 HD22 LEU 82 2HD2 LEU 82 -4.090 1.026 0.197 578 HD23 LEU 82 3HD2 LEU 82 -2.521 0.429 -0.343 579 H LYS 83 H LYS 83 -8.049 1.560 0.447 580 HA LYS 83 HA LYS 83 -10.337 1.351 -1.343 581 HB2 LYS 83 1HB LYS 83 -10.285 1.692 1.296 582 HB3 LYS 83 2HB LYS 83 -10.212 3.386 0.830 583 HG2 LYS 83 1HG LYS 83 -12.287 3.231 -0.336 584 HG3 LYS 83 2HG LYS 83 -12.325 1.477 -0.141 585 HD2 LYS 83 1HD LYS 83 -13.703 2.049 1.578 586 HD3 LYS 83 2HD LYS 83 -12.159 2.153 2.427 587 HE2 LYS 83 1HE LYS 83 -13.192 4.565 1.015 588 HE3 LYS 83 2HE LYS 83 -13.921 4.105 2.553 589 HZ1 LYS 83 1HZ LYS 83 -11.899 4.370 3.666 590 HZ2 LYS 83 2HZ LYS 83 -11.982 5.707 2.633 591 HZ3 LYS 83 3HZ LYS 83 -10.994 4.391 2.237 592 H ILE 84 H ILE 84 -11.045 2.959 -2.701 593 HA ILE 84 HA ILE 84 -9.165 5.188 -3.130 594 HB ILE 84 HB ILE 84 -10.067 5.230 -5.476 595 HG12 ILE 84 1HG1 ILE 84 -10.970 2.412 -5.113 596 HG13 ILE 84 2HG1 ILE 84 -12.065 3.696 -4.612 597 HG21 ILE 84 1HG2 ILE 84 -8.817 3.087 -6.131 598 HG22 ILE 84 2HG2 ILE 84 -7.929 4.326 -5.246 599 HG23 ILE 84 3HG2 ILE 84 -8.522 2.895 -4.403 600 HD11 ILE 84 1HD1 ILE 84 -11.785 2.648 -7.154 601 HD12 ILE 84 2HD1 ILE 84 -12.642 4.123 -6.707 602 HD13 ILE 84 3HD1 ILE 84 -10.960 4.204 -7.230 603 H ASP 85 H ASP 85 -9.965 7.246 -3.482 604 HA ASP 85 HA ASP 85 -12.675 7.688 -2.496 605 HB2 ASP 85 1HB ASP 85 -10.530 8.942 -1.715 606 HB3 ASP 85 2HB ASP 85 -10.742 9.879 -3.192 607 H ARG 86 H ARG 86 -12.564 6.561 -5.045 608 HA ARG 86 HA ARG 86 -12.960 6.974 -7.303 609 HB2 ARG 86 1HB ARG 86 -15.249 8.055 -7.501 610 HB3 ARG 86 2HB ARG 86 -15.146 6.642 -6.459 611 HG2 ARG 86 1HG ARG 86 -16.420 8.068 -5.190 612 HG3 ARG 86 2HG ARG 86 -14.801 8.395 -4.569 613 HD2 ARG 86 1HD ARG 86 -14.630 10.404 -5.803 614 HD3 ARG 86 2HD ARG 86 -16.038 10.005 -6.786 615 HE ARG 86 HE ARG 86 -16.546 10.288 -3.951 616 HH11 ARG 86 2HH1 ARG 86 -16.470 11.833 -7.070 617 HH12 ARG 86 1HH1 ARG 86 -17.547 13.109 -6.609 618 HH21 ARG 86 2HH2 ARG 86 -17.965 11.963 -3.333 619 HH22 ARG 86 1HH2 ARG 86 -18.397 13.182 -4.483 620 H ALA 87 H ALA 87 -11.007 8.769 -6.545 621 HA ALA 87 HA ALA 87 -11.195 11.410 -6.666 622 HB1 ALA 87 1HB ALA 87 -9.039 11.378 -7.239 623 HB2 ALA 87 2HB ALA 87 -9.200 9.621 -7.284 624 HB3 ALA 87 3HB ALA 87 -9.370 10.560 -8.767 625 H GLU 88 H GLU 88 -12.859 12.446 -7.638 626 HA GLU 88 HA GLU 88 -14.114 11.884 -10.009 627 HB2 GLU 88 1HB GLU 88 -14.944 14.126 -10.006 628 HB3 GLU 88 2HB GLU 88 -14.798 13.616 -8.330 629 HG2 GLU 88 1HG GLU 88 -12.850 14.920 -8.007 630 HG3 GLU 88 2HG GLU 88 -12.693 15.232 -9.735 631 H THR 89 H THR 89 -11.147 13.721 -9.512 632 HA THR 89 HA THR 89 -10.783 14.828 -12.014 633 HB THR 89 HB THR 89 -8.462 13.601 -10.554 634 HG1 THR 89 1HG THR 89 -9.474 14.574 -8.875 635 HG21 THR 89 1HG2 THR 89 -7.403 14.804 -12.116 636 HG22 THR 89 2HG2 THR 89 -7.923 16.234 -11.223 637 HG23 THR 89 3HG2 THR 89 -8.883 15.643 -12.579 638 H ARG 90 H ARG 90 -10.451 11.507 -11.013 639 HA ARG 90 HA ARG 90 -8.835 10.333 -12.827 640 HB2 ARG 90 1HB ARG 90 -11.470 9.474 -11.693 641 HB3 ARG 90 2HB ARG 90 -10.681 8.471 -12.902 642 HG2 ARG 90 1HG ARG 90 -9.331 9.365 -10.369 643 HG3 ARG 90 2HG ARG 90 -10.232 7.854 -10.513 644 HD2 ARG 90 1HD ARG 90 -7.920 8.618 -12.288 645 HD3 ARG 90 2HD ARG 90 -7.761 7.635 -10.833 646 HE ARG 90 HE ARG 90 -9.602 6.263 -12.181 647 HH11 ARG 90 2HH1 ARG 90 -6.590 7.660 -13.227 648 HH12 ARG 90 1HH1 ARG 90 -6.315 6.470 -14.456 649 HH21 ARG 90 2HH2 ARG 90 -9.251 4.690 -13.796 650 HH22 ARG 90 1HH2 ARG 90 -7.829 4.782 -14.779 651 H LEU 91 H LEU 91 -8.648 11.170 -14.849 652 HA LEU 91 HA LEU 91 -10.345 12.258 -16.578 653 HB2 LEU 91 1HB LEU 91 -9.058 11.439 -18.394 654 HB3 LEU 91 2HB LEU 91 -7.966 11.651 -17.026 655 HG LEU 91 HG LEU 91 -8.505 9.062 -16.705 656 HD11 LEU 91 1HD1 LEU 91 -9.858 9.536 -19.042 657 HD12 LEU 91 2HD1 LEU 91 -9.297 7.963 -18.478 658 HD13 LEU 91 3HD1 LEU 91 -8.316 8.896 -19.608 659 HD21 LEU 91 1HD2 LEU 91 -6.541 9.057 -18.703 660 HD22 LEU 91 2HD2 LEU 91 -6.301 9.137 -16.958 661 HD23 LEU 91 3HD2 LEU 91 -6.413 10.623 -17.903 662 H TRP 92 H TRP 92 -10.248 8.809 -15.849 663 HA TRP 92 HA TRP 92 -12.981 8.521 -16.720 664 HB2 TRP 92 1HB TRP 92 -11.349 8.205 -18.753 665 HB3 TRP 92 2HB TRP 92 -11.056 6.630 -18.022 666 HD1 TRP 92 HD TRP 92 -13.382 5.096 -17.644 667 HE1 TRP 92 1HE TRP 92 -15.404 4.869 -19.221 668 HE3 TRP 92 3HE TRP 92 -12.709 9.323 -20.439 669 HZ2 TRP 92 2HZ TRP 92 -16.559 6.294 -21.366 670 HZ3 TRP 92 3HZ TRP 92 -14.317 9.818 -22.235 671 HH2 TRP 92 HH TRP 92 -16.201 8.333 -22.687 672 H SER 93 H SER 93 -14.004 7.031 -15.522 673 HA SER 93 HA SER 93 -12.864 4.641 -14.563 674 HB2 SER 93 1HB SER 93 -11.566 6.028 -13.070 675 HB3 SER 93 2HB SER 93 -13.006 6.916 -12.572 676 HG SER 93 HG SER 93 -13.064 4.158 -12.243 677 HA PRO 94 HA PRO 94 -17.295 4.173 -14.426 678 HB2 PRO 94 1HB PRO 94 -17.268 1.501 -13.942 679 HB3 PRO 94 2HB PRO 94 -16.964 2.191 -15.541 680 HG2 PRO 94 1HG PRO 94 -15.008 1.215 -13.495 681 HG3 PRO 94 2HG PRO 94 -15.011 0.963 -15.250 682 HD2 PRO 94 1HD PRO 94 -13.446 2.816 -14.047 683 HD3 PRO 94 2HD PRO 94 -14.112 3.042 -15.677 684 H GLN 95 H GLN 95 -15.311 2.400 -12.043 685 HA GLN 95 HA GLN 95 -17.256 2.145 -10.072 686 HB2 GLN 95 1HB GLN 95 -14.253 2.344 -9.860 687 HB3 GLN 95 2HB GLN 95 -15.289 1.979 -8.487 688 HG2 GLN 95 1HG GLN 95 -16.129 -0.003 -9.687 689 HG3 GLN 95 2HG GLN 95 -15.004 0.348 -10.999 690 HE21 GLN 95 1HE2 GLN 95 -15.390 -0.912 -7.821 691 HE22 GLN 95 2HE2 GLN 95 -13.773 -1.483 -7.614 692 H VAL 96 H VAL 96 -17.864 3.362 -8.310 693 HA VAL 96 HA VAL 96 -16.610 5.884 -7.715 694 HB VAL 96 HB VAL 96 -17.944 6.621 -9.586 695 HG11 VAL 96 1HG1 VAL 96 -20.168 6.134 -9.946 696 HG12 VAL 96 2HG1 VAL 96 -19.593 4.631 -9.220 697 HG13 VAL 96 3HG1 VAL 96 -20.481 5.801 -8.243 698 HG21 VAL 96 1HG2 VAL 96 -17.912 8.337 -8.063 699 HG22 VAL 96 2HG2 VAL 96 -19.650 8.087 -8.228 700 HG23 VAL 96 3HG2 VAL 96 -18.792 7.417 -6.841 701 H SER 97 H SER 97 -16.796 6.256 -5.603 702 HA SER 97 HA SER 97 -18.706 4.660 -4.071 703 HB2 SER 97 1HB SER 97 -16.481 4.485 -3.237 704 HB3 SER 97 2HB SER 97 -16.247 6.232 -3.291 705 HG SER 97 HG SER 97 -18.262 5.087 -1.686 706 H SER 98 H SER 98 -20.648 5.675 -4.133 707 HA SER 98 HA SER 98 -21.169 8.385 -4.208 708 HB2 SER 98 1HB SER 98 -22.933 6.780 -4.590 709 HB3 SER 98 2HB SER 98 -22.791 6.165 -2.944 710 HG SER 98 HG SER 98 -23.286 8.887 -3.247 711 H GLY 99 H GLY 99 -21.573 6.412 -1.260 712 HA2 GLY 99 1HA GLY 99 -19.987 7.614 0.537 713 HA3 GLY 99 2HA GLY 99 -21.280 8.793 0.375 714 HA PRO 100 HA PRO 100 -23.078 4.709 2.325 715 HB2 PRO 100 1HB PRO 100 -21.227 3.182 3.595 716 HB3 PRO 100 2HB PRO 100 -21.681 2.934 1.905 717 HG2 PRO 100 1HG PRO 100 -19.308 4.364 3.039 718 HG3 PRO 100 2HG PRO 100 -19.388 3.241 1.668 719 HD2 PRO 100 1HD PRO 100 -19.289 5.928 1.347 720 HD3 PRO 100 2HD PRO 100 -20.157 4.863 0.222 721 H SER 101 H SER 101 -20.695 6.845 3.544 722 HA SER 101 HA SER 101 -20.568 6.550 6.217 723 HB2 SER 101 1HB SER 101 -21.206 9.201 4.903 724 HB3 SER 101 2HB SER 101 -20.369 8.955 6.436 725 HG SER 101 HG SER 101 -18.584 8.544 5.391 726 H SER 102 H SER 102 -22.181 5.767 7.439 727 HA SER 102 HA SER 102 -24.916 6.402 7.103 728 HB2 SER 102 1HB SER 102 -23.322 5.012 9.228 729 HB3 SER 102 2HB SER 102 -25.010 5.421 9.533 730 HG SER 102 HG SER 102 -25.643 4.037 8.010 731 H GLY 103 H GLY 103 -22.692 7.281 9.758 732 HA2 GLY 103 1HA GLY 103 -23.808 9.951 9.858 733 HA3 GLY 103 2HA GLY 103 -24.202 8.947 11.245 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -29.558 11.481 -7.848 2 HA2 GLY 1 1HA GLY 1 -27.731 11.786 -9.337 3 HA3 GLY 1 2HA GLY 1 -27.070 12.188 -7.759 4 H SER 2 H SER 2 -26.200 10.252 -6.514 5 HA SER 2 HA SER 2 -24.724 8.526 -8.391 6 HB2 SER 2 1HB SER 2 -22.835 8.637 -7.016 7 HB3 SER 2 2HB SER 2 -23.482 10.274 -6.919 8 HG SER 2 HG SER 2 -22.899 9.220 -4.870 9 H SER 3 H SER 3 -23.926 6.457 -7.298 10 HA SER 3 HA SER 3 -26.057 5.359 -5.584 11 HB2 SER 3 1HB SER 3 -25.414 3.141 -6.823 12 HB3 SER 3 2HB SER 3 -26.501 4.290 -7.602 13 HG SER 3 HG SER 3 -23.697 4.135 -8.026 14 H GLY 4 H GLY 4 -23.190 6.428 -5.206 15 HA2 GLY 4 1HA GLY 4 -22.158 5.627 -3.062 16 HA3 GLY 4 2HA GLY 4 -22.129 4.043 -3.822 17 H SER 5 H SER 5 -19.997 5.938 -2.792 18 HA SER 5 HA SER 5 -18.401 6.119 -5.261 19 HB2 SER 5 1HB SER 5 -18.944 8.198 -3.715 20 HB3 SER 5 2HB SER 5 -17.601 7.560 -2.767 21 HG SER 5 HG SER 5 -17.283 7.831 -5.535 22 H SER 6 H SER 6 -18.262 5.272 -1.822 23 HA SER 6 HA SER 6 -15.760 4.483 -1.363 24 HB2 SER 6 1HB SER 6 -17.625 4.092 0.209 25 HB3 SER 6 2HB SER 6 -18.161 2.731 -0.778 26 HG SER 6 HG SER 6 -16.511 1.555 -0.088 27 H GLY 7 H GLY 7 -14.263 3.252 -2.292 28 HA2 GLY 7 1HA GLY 7 -15.132 0.961 -3.926 29 HA3 GLY 7 2HA GLY 7 -14.013 2.138 -4.597 30 H ASN 8 H ASN 8 -14.161 -0.829 -3.272 31 HA ASN 8 HA ASN 8 -11.696 -0.640 -1.723 32 HB2 ASN 8 1HB ASN 8 -12.116 -2.943 -1.089 33 HB3 ASN 8 2HB ASN 8 -13.591 -2.006 -0.874 34 HD21 ASN 8 1HD2 ASN 8 -11.930 -4.155 -3.126 35 HD22 ASN 8 2HD2 ASN 8 -13.363 -4.856 -3.791 36 H VAL 9 H VAL 9 -9.911 -2.109 -2.150 37 HA VAL 9 HA VAL 9 -9.736 -3.161 -4.868 38 HB VAL 9 HB VAL 9 -7.825 -1.109 -3.750 39 HG11 VAL 9 1HG1 VAL 9 -7.541 -2.698 -6.298 40 HG12 VAL 9 2HG1 VAL 9 -6.428 -1.476 -5.679 41 HG13 VAL 9 3HG1 VAL 9 -6.632 -3.002 -4.817 42 HG21 VAL 9 1HG2 VAL 9 -9.145 -1.004 -6.429 43 HG22 VAL 9 2HG2 VAL 9 -10.035 -0.508 -4.990 44 HG23 VAL 9 3HG2 VAL 9 -8.537 0.314 -5.427 45 H VAL 10 H VAL 10 -9.140 -5.203 -4.598 46 HA VAL 10 HA VAL 10 -7.147 -5.827 -2.515 47 HB VAL 10 HB VAL 10 -9.033 -7.871 -3.644 48 HG11 VAL 10 1HG1 VAL 10 -7.074 -8.603 -2.341 49 HG12 VAL 10 2HG1 VAL 10 -7.648 -7.646 -0.974 50 HG13 VAL 10 3HG1 VAL 10 -8.597 -9.015 -1.555 51 HG21 VAL 10 1HG2 VAL 10 -10.598 -6.318 -2.882 52 HG22 VAL 10 2HG2 VAL 10 -10.386 -7.402 -1.507 53 HG23 VAL 10 3HG2 VAL 10 -9.590 -5.829 -1.519 54 H LEU 11 H LEU 11 -5.240 -5.931 -3.547 55 HA LEU 11 HA LEU 11 -5.064 -7.172 -6.178 56 HB2 LEU 11 1HB LEU 11 -2.840 -5.975 -4.543 57 HB3 LEU 11 2HB LEU 11 -2.833 -6.328 -6.269 58 HG LEU 11 HG LEU 11 -4.630 -4.262 -5.011 59 HD11 LEU 11 1HD1 LEU 11 -2.043 -3.944 -4.827 60 HD12 LEU 11 2HD1 LEU 11 -3.070 -2.613 -5.359 61 HD13 LEU 11 3HD1 LEU 11 -2.170 -3.560 -6.543 62 HD21 LEU 11 1HD2 LEU 11 -4.662 -3.424 -7.372 63 HD22 LEU 11 2HD2 LEU 11 -5.445 -4.986 -7.129 64 HD23 LEU 11 3HD2 LEU 11 -3.833 -4.908 -7.843 65 HA PRO 12 HA PRO 12 -3.810 -11.086 -4.574 66 HB2 PRO 12 1HB PRO 12 -2.694 -12.088 -6.837 67 HB3 PRO 12 2HB PRO 12 -4.441 -11.944 -6.610 68 HG2 PRO 12 1HG PRO 12 -2.569 -10.141 -8.096 69 HG3 PRO 12 2HG PRO 12 -4.183 -10.709 -8.563 70 HD2 PRO 12 1HD PRO 12 -3.748 -8.245 -7.527 71 HD3 PRO 12 2HD PRO 12 -5.250 -9.148 -7.245 72 H GLY 13 H GLY 13 -2.127 -11.377 -3.258 73 HA2 GLY 13 1HA GLY 13 0.536 -10.488 -4.177 74 HA3 GLY 13 2HA GLY 13 0.032 -10.524 -2.494 75 HA PRO 14 HA PRO 14 1.574 -10.853 -1.297 76 HB2 PRO 14 1HB PRO 14 4.205 -11.434 -0.967 77 HB3 PRO 14 2HB PRO 14 2.927 -12.199 -0.017 78 HG2 PRO 14 1HG PRO 14 4.384 -13.238 -2.417 79 HG3 PRO 14 2HG PRO 14 3.944 -14.085 -0.922 80 HD2 PRO 14 1HD PRO 14 2.529 -14.347 -3.216 81 HD3 PRO 14 2HD PRO 14 1.773 -14.436 -1.612 82 H ALA 15 H ALA 15 3.850 -9.486 -1.426 83 HA ALA 15 HA ALA 15 3.694 -8.143 -3.926 84 HB1 ALA 15 1HB ALA 15 4.920 -7.699 -1.359 85 HB2 ALA 15 2HB ALA 15 6.035 -7.297 -2.665 86 HB3 ALA 15 3HB ALA 15 4.447 -6.533 -2.595 87 HA PRO 16 HA PRO 16 5.635 -6.525 -4.512 88 HB2 PRO 16 1HB PRO 16 6.122 -6.057 -7.142 89 HB3 PRO 16 2HB PRO 16 7.404 -6.148 -5.929 90 HG2 PRO 16 1HG PRO 16 6.473 -8.236 -7.861 91 HG3 PRO 16 2HG PRO 16 8.128 -7.790 -7.408 92 HD2 PRO 16 1HD PRO 16 6.871 -9.957 -6.381 93 HD3 PRO 16 2HD PRO 16 8.059 -9.016 -5.457 94 H TRP 17 H TRP 17 4.049 -5.176 -5.626 95 HA TRP 17 HA TRP 17 1.752 -6.769 -6.496 96 HB2 TRP 17 1HB TRP 17 1.805 -3.834 -5.779 97 HB3 TRP 17 2HB TRP 17 0.389 -4.869 -5.940 98 HD1 TRP 17 HD TRP 17 2.865 -3.655 -3.429 99 HE1 TRP 17 1HE TRP 17 2.455 -4.803 -1.161 100 HE3 TRP 17 3HE TRP 17 -0.386 -7.301 -4.939 101 HZ2 TRP 17 2HZ TRP 17 0.954 -6.967 -0.148 102 HZ3 TRP 17 3HZ TRP 17 -1.262 -8.870 -3.259 103 HH2 TRP 17 HH TRP 17 -0.605 -8.705 -0.913 104 H GLY 18 H GLY 18 3.466 -3.780 -7.421 105 HA2 GLY 18 1HA GLY 18 4.129 -3.700 -9.827 106 HA3 GLY 18 2HA GLY 18 2.485 -4.216 -10.175 107 H PHE 19 H PHE 19 1.981 -2.294 -7.674 108 HA PHE 19 HA PHE 19 1.592 0.067 -9.382 109 HB2 PHE 19 1HB PHE 19 -0.295 0.611 -8.136 110 HB3 PHE 19 2HB PHE 19 -0.352 -1.149 -8.142 111 HD1 PHE 19 2HD PHE 19 0.273 -2.414 -6.129 112 HD2 PHE 19 1HD PHE 19 0.057 1.837 -6.129 113 HE1 PHE 19 2HE PHE 19 0.224 -2.420 -3.669 114 HE2 PHE 19 1HE PHE 19 0.008 1.838 -3.669 115 HZ PHE 19 HZ PHE 19 0.090 -0.292 -2.436 116 H ARG 20 H ARG 20 2.095 2.145 -8.604 117 HA ARG 20 HA ARG 20 4.112 2.147 -6.460 118 HB2 ARG 20 1HB ARG 20 3.837 4.348 -8.478 119 HB3 ARG 20 2HB ARG 20 5.253 3.858 -7.558 120 HG2 ARG 20 1HG ARG 20 4.007 2.244 -9.773 121 HG3 ARG 20 2HG ARG 20 5.400 3.311 -9.959 122 HD2 ARG 20 1HD ARG 20 5.459 1.197 -7.857 123 HD3 ARG 20 2HD ARG 20 5.713 0.737 -9.540 124 HE ARG 20 HE ARG 20 7.741 1.856 -9.524 125 HH11 ARG 20 2HH1 ARG 20 6.000 2.421 -6.562 126 HH12 ARG 20 1HH1 ARG 20 7.362 3.108 -5.740 127 HH21 ARG 20 2HH2 ARG 20 9.541 2.758 -8.452 128 HH22 ARG 20 1HH2 ARG 20 9.376 3.300 -6.816 129 H LEU 21 H LEU 21 4.322 4.484 -5.497 130 HA LEU 21 HA LEU 21 1.686 5.684 -5.074 131 HB2 LEU 21 1HB LEU 21 2.405 5.824 -2.579 132 HB3 LEU 21 2HB LEU 21 1.648 4.360 -3.203 133 HG LEU 21 HG LEU 21 3.770 3.231 -3.280 134 HD11 LEU 21 1HD1 LEU 21 4.872 5.943 -2.643 135 HD12 LEU 21 2HD1 LEU 21 5.333 4.828 -3.929 136 HD13 LEU 21 3HD1 LEU 21 5.771 4.475 -2.258 137 HD21 LEU 21 1HD2 LEU 21 4.019 2.874 -1.028 138 HD22 LEU 21 2HD2 LEU 21 2.442 3.662 -1.061 139 HD23 LEU 21 3HD2 LEU 21 3.881 4.586 -0.628 140 H SER 22 H SER 22 1.718 7.857 -4.535 141 HA SER 22 HA SER 22 4.302 9.166 -4.168 142 HB2 SER 22 1HB SER 22 3.622 9.044 -6.668 143 HB3 SER 22 2HB SER 22 2.413 10.255 -6.242 144 HG SER 22 HG SER 22 3.973 11.632 -6.472 145 H GLY 23 H GLY 23 4.183 10.733 -2.691 146 HA2 GLY 23 1HA GLY 23 2.656 12.799 -2.233 147 HA3 GLY 23 2HA GLY 23 1.518 11.543 -1.769 148 H GLY 24 H GLY 24 1.378 12.113 0.380 149 HA2 GLY 24 1HA GLY 24 2.501 11.023 2.404 150 HA3 GLY 24 2HA GLY 24 3.882 12.001 1.932 151 H ILE 25 H ILE 25 1.310 11.851 3.978 152 HA ILE 25 HA ILE 25 0.137 14.325 4.079 153 HB ILE 25 HB ILE 25 -0.051 14.010 6.544 154 HG12 ILE 25 1HG1 ILE 25 1.231 11.329 6.273 155 HG13 ILE 25 2HG1 ILE 25 2.277 12.730 6.470 156 HG21 ILE 25 1HG2 ILE 25 -0.782 11.346 5.759 157 HG22 ILE 25 2HG2 ILE 25 -1.812 12.741 6.080 158 HG23 ILE 25 3HG2 ILE 25 -1.148 12.488 4.466 159 HD11 ILE 25 1HD1 ILE 25 1.923 11.858 8.623 160 HD12 ILE 25 2HD1 ILE 25 0.909 13.298 8.513 161 HD13 ILE 25 3HD1 ILE 25 0.187 11.696 8.356 162 H ASP 26 H ASP 26 3.426 13.544 4.664 163 HA ASP 26 HA ASP 26 4.010 15.910 6.213 164 HB2 ASP 26 1HB ASP 26 5.269 13.744 6.443 165 HB3 ASP 26 2HB ASP 26 5.961 14.046 4.852 166 H PHE 27 H PHE 27 4.172 14.898 2.867 167 HA PHE 27 HA PHE 27 5.583 17.311 2.071 168 HB2 PHE 27 1HB PHE 27 4.509 14.989 0.459 169 HB3 PHE 27 2HB PHE 27 5.398 16.347 -0.223 170 HD1 PHE 27 2HD PHE 27 7.768 16.750 0.591 171 HD2 PHE 27 1HD PHE 27 5.628 13.147 1.341 172 HE1 PHE 27 2HE PHE 27 9.889 15.589 1.046 173 HE2 PHE 27 1HE PHE 27 7.746 11.981 1.798 174 HZ PHE 27 HZ PHE 27 9.880 13.201 1.649 175 H ASN 28 H ASN 28 2.642 16.982 3.102 176 HA ASN 28 HA ASN 28 0.616 17.960 2.743 177 HB2 ASN 28 1HB ASN 28 2.217 19.945 1.115 178 HB3 ASN 28 2HB ASN 28 0.654 20.222 1.877 179 HD21 ASN 28 1HD2 ASN 28 3.603 21.198 2.146 180 HD22 ASN 28 2HD2 ASN 28 3.813 21.274 3.859 181 H GLN 29 H GLN 29 1.001 15.836 1.086 182 HA GLN 29 HA GLN 29 -0.576 16.627 -1.231 183 HB2 GLN 29 1HB GLN 29 2.172 15.485 -1.352 184 HB3 GLN 29 2HB GLN 29 0.996 14.917 -2.530 185 HG2 GLN 29 1HG GLN 29 0.734 17.044 -3.466 186 HG3 GLN 29 2HG GLN 29 1.489 17.838 -2.085 187 HE21 GLN 29 1HE2 GLN 29 2.264 15.349 -4.496 188 HE22 GLN 29 2HE2 GLN 29 3.868 15.911 -4.810 189 HA PRO 30 HA PRO 30 -2.750 12.941 -0.210 190 HB2 PRO 30 1HB PRO 30 -4.005 12.504 -2.577 191 HB3 PRO 30 2HB PRO 30 -4.478 13.791 -1.462 192 HG2 PRO 30 1HG PRO 30 -2.788 13.948 -3.928 193 HG3 PRO 30 2HG PRO 30 -4.069 15.044 -3.378 194 HD2 PRO 30 1HD PRO 30 -1.438 15.593 -3.046 195 HD3 PRO 30 2HD PRO 30 -2.677 16.125 -1.892 196 H LEU 31 H LEU 31 -2.414 10.778 -0.275 197 HA LEU 31 HA LEU 31 -0.157 9.773 -1.696 198 HB2 LEU 31 1HB LEU 31 -2.249 8.519 0.051 199 HB3 LEU 31 2HB LEU 31 -1.031 7.546 -0.771 200 HG LEU 31 HG LEU 31 -0.386 9.763 1.167 201 HD11 LEU 31 1HD1 LEU 31 0.248 7.182 2.174 202 HD12 LEU 31 2HD1 LEU 31 -1.453 7.200 1.711 203 HD13 LEU 31 3HD1 LEU 31 -0.837 8.397 2.850 204 HD21 LEU 31 1HD2 LEU 31 1.727 8.082 1.147 205 HD22 LEU 31 2HD2 LEU 31 1.595 9.514 0.126 206 HD23 LEU 31 3HD2 LEU 31 1.177 7.927 -0.521 207 H VAL 32 H VAL 32 -0.459 9.846 -3.887 208 HA VAL 32 HA VAL 32 -2.643 8.178 -4.958 209 HB VAL 32 HB VAL 32 -2.509 9.537 -7.029 210 HG11 VAL 32 1HG1 VAL 32 -3.150 11.746 -5.414 211 HG12 VAL 32 2HG1 VAL 32 -4.253 10.554 -6.105 212 HG13 VAL 32 3HG1 VAL 32 -3.587 10.310 -4.490 213 HG21 VAL 32 1HG2 VAL 32 -1.395 11.909 -6.357 214 HG22 VAL 32 2HG2 VAL 32 -0.317 10.793 -5.520 215 HG23 VAL 32 3HG2 VAL 32 -0.560 10.645 -7.261 216 H ILE 33 H ILE 33 -2.176 6.794 -6.672 217 HA ILE 33 HA ILE 33 0.321 5.552 -6.662 218 HB ILE 33 HB ILE 33 -1.822 5.491 -8.789 219 HG12 ILE 33 1HG1 ILE 33 -1.174 3.411 -6.700 220 HG13 ILE 33 2HG1 ILE 33 -2.356 4.687 -6.431 221 HG21 ILE 33 1HG2 ILE 33 0.844 4.350 -8.732 222 HG22 ILE 33 2HG2 ILE 33 -0.406 3.120 -8.918 223 HG23 ILE 33 3HG2 ILE 33 -0.310 4.460 -10.061 224 HD11 ILE 33 1HD1 ILE 33 -3.906 3.671 -7.676 225 HD12 ILE 33 2HD1 ILE 33 -2.743 3.189 -8.911 226 HD13 ILE 33 3HD1 ILE 33 -2.912 2.234 -7.438 227 H THR 34 H THR 34 2.081 5.603 -8.029 228 HA THR 34 HA THR 34 2.406 8.087 -9.532 229 HB THR 34 HB THR 34 4.619 7.984 -9.093 230 HG1 THR 34 1HG THR 34 5.813 6.019 -9.205 231 HG21 THR 34 1HG2 THR 34 4.934 7.411 -6.924 232 HG22 THR 34 2HG2 THR 34 4.318 5.774 -7.158 233 HG23 THR 34 3HG2 THR 34 3.195 7.121 -6.969 234 H ARG 35 H ARG 35 2.658 4.582 -9.974 235 HA ARG 35 HA ARG 35 2.090 4.894 -12.797 236 HB2 ARG 35 1HB ARG 35 4.684 4.964 -12.274 237 HB3 ARG 35 2HB ARG 35 4.482 3.220 -12.178 238 HG2 ARG 35 1HG ARG 35 3.848 3.050 -14.420 239 HG3 ARG 35 2HG ARG 35 3.514 4.779 -14.546 240 HD2 ARG 35 1HD ARG 35 5.962 5.176 -14.152 241 HD3 ARG 35 2HD ARG 35 6.199 3.436 -14.303 242 HE ARG 35 HE ARG 35 4.796 4.477 -16.541 243 HH11 ARG 35 2HH1 ARG 35 7.967 4.250 -15.122 244 HH12 ARG 35 1HH1 ARG 35 8.797 4.369 -16.638 245 HH21 ARG 35 2HH2 ARG 35 5.877 4.635 -18.543 246 HH22 ARG 35 1HH2 ARG 35 7.607 4.589 -18.583 247 H ILE 36 H ILE 36 1.610 2.846 -13.849 248 HA ILE 36 HA ILE 36 1.069 0.634 -11.992 249 HB ILE 36 HB ILE 36 -0.901 1.799 -13.960 250 HG12 ILE 36 1HG1 ILE 36 -0.754 2.950 -11.779 251 HG13 ILE 36 2HG1 ILE 36 -2.303 2.142 -11.991 252 HG21 ILE 36 1HG2 ILE 36 -2.186 -0.186 -12.524 253 HG22 ILE 36 2HG2 ILE 36 -1.671 -0.275 -14.208 254 HG23 ILE 36 3HG2 ILE 36 -0.625 -0.896 -12.931 255 HD11 ILE 36 1HD1 ILE 36 -1.688 1.689 -9.792 256 HD12 ILE 36 2HD1 ILE 36 -1.275 0.217 -10.672 257 HD13 ILE 36 3HD1 ILE 36 -0.011 1.365 -10.230 258 H THR 37 H THR 37 1.713 -1.277 -12.743 259 HA THR 37 HA THR 37 3.052 -1.530 -15.214 260 HB THR 37 HB THR 37 2.003 -3.753 -13.451 261 HG1 THR 37 1HG THR 37 3.400 -2.369 -12.300 262 HG21 THR 37 1HG2 THR 37 3.531 -5.185 -14.528 263 HG22 THR 37 2HG2 THR 37 4.378 -3.842 -15.295 264 HG23 THR 37 3HG2 THR 37 2.759 -4.286 -15.833 265 HA PRO 38 HA PRO 38 -0.530 -2.116 -17.799 266 HB2 PRO 38 1HB PRO 38 0.854 -2.525 -20.099 267 HB3 PRO 38 2HB PRO 38 0.617 -0.922 -19.392 268 HG2 PRO 38 1HG PRO 38 2.995 -2.733 -19.226 269 HG3 PRO 38 2HG PRO 38 2.940 -0.981 -19.495 270 HD2 PRO 38 1HD PRO 38 3.505 -2.068 -17.080 271 HD3 PRO 38 2HD PRO 38 2.653 -0.520 -17.255 272 H GLY 39 H GLY 39 -1.583 -3.996 -17.534 273 HA2 GLY 39 1HA GLY 39 -2.162 -6.190 -17.945 274 HA3 GLY 39 2HA GLY 39 -0.741 -6.322 -18.970 275 H SER 40 H SER 40 -1.555 -6.002 -15.513 276 HA SER 40 HA SER 40 -0.155 -8.393 -14.836 277 HB2 SER 40 1HB SER 40 1.797 -7.615 -13.911 278 HB3 SER 40 2HB SER 40 1.596 -6.409 -15.181 279 HG SER 40 HG SER 40 0.470 -5.139 -13.535 280 H LYS 41 H LYS 41 0.204 -8.324 -12.265 281 HA LYS 41 HA LYS 41 -2.268 -8.405 -11.079 282 HB2 LYS 41 1HB LYS 41 0.317 -7.722 -9.669 283 HB3 LYS 41 2HB LYS 41 -1.123 -8.413 -8.933 284 HG2 LYS 41 1HG LYS 41 -0.697 -10.281 -10.769 285 HG3 LYS 41 2HG LYS 41 0.959 -9.693 -10.604 286 HD2 LYS 41 1HD LYS 41 1.150 -10.429 -8.450 287 HD3 LYS 41 2HD LYS 41 -0.573 -10.237 -8.117 288 HE2 LYS 41 1HE LYS 41 0.802 -12.453 -9.616 289 HE3 LYS 41 2HE LYS 41 -0.152 -12.566 -8.138 290 HZ1 LYS 41 1HZ LYS 41 -1.038 -12.358 -10.909 291 HZ2 LYS 41 2HZ LYS 41 -1.975 -11.565 -9.746 292 HZ3 LYS 41 3HZ LYS 41 -1.706 -13.230 -9.622 293 H ALA 42 H ALA 42 -0.296 -5.636 -11.712 294 HA ALA 42 HA ALA 42 -1.665 -3.896 -9.868 295 HB1 ALA 42 1HB ALA 42 -0.043 -2.413 -10.319 296 HB2 ALA 42 2HB ALA 42 0.761 -3.782 -11.088 297 HB3 ALA 42 3HB ALA 42 -0.174 -2.648 -12.062 298 H ALA 43 H ALA 43 -1.278 -3.540 -13.390 299 HA ALA 43 HA ALA 43 -3.506 -1.900 -13.747 300 HB1 ALA 43 1HB ALA 43 -1.918 -1.905 -15.470 301 HB2 ALA 43 2HB ALA 43 -1.974 -3.660 -15.637 302 HB3 ALA 43 3HB ALA 43 -3.339 -2.680 -16.171 303 H ALA 44 H ALA 44 -3.190 -5.413 -14.208 304 HA ALA 44 HA ALA 44 -5.706 -6.009 -15.152 305 HB1 ALA 44 1HB ALA 44 -4.090 -7.644 -13.198 306 HB2 ALA 44 2HB ALA 44 -5.398 -8.240 -14.221 307 HB3 ALA 44 3HB ALA 44 -3.904 -7.652 -14.952 308 H ALA 45 H ALA 45 -4.806 -4.905 -12.014 309 HA ALA 45 HA ALA 45 -7.327 -5.732 -10.807 310 HB1 ALA 45 1HB ALA 45 -5.785 -5.974 -9.168 311 HB2 ALA 45 2HB ALA 45 -4.744 -4.701 -9.805 312 HB3 ALA 45 3HB ALA 45 -6.182 -4.281 -8.876 313 H ASN 46 H ASN 46 -7.046 -3.661 -12.999 314 HA ASN 46 HA ASN 46 -8.040 -1.706 -13.597 315 HB2 ASN 46 1HB ASN 46 -9.891 -2.917 -12.149 316 HB3 ASN 46 2HB ASN 46 -9.571 -1.593 -11.032 317 HD21 ASN 46 1HD2 ASN 46 -11.399 -0.444 -11.249 318 HD22 ASN 46 2HD2 ASN 46 -11.936 0.272 -12.727 319 H LEU 47 H LEU 47 -5.590 -1.687 -12.012 320 HA LEU 47 HA LEU 47 -5.811 0.654 -10.310 321 HB2 LEU 47 1HB LEU 47 -3.466 -1.068 -11.091 322 HB3 LEU 47 2HB LEU 47 -3.358 0.315 -10.004 323 HG LEU 47 HG LEU 47 -5.130 -2.048 -9.433 324 HD11 LEU 47 1HD1 LEU 47 -2.292 -2.018 -9.490 325 HD12 LEU 47 2HD1 LEU 47 -3.371 -3.300 -8.941 326 HD13 LEU 47 3HD1 LEU 47 -2.811 -2.073 -7.806 327 HD21 LEU 47 1HD2 LEU 47 -5.082 -1.228 -7.180 328 HD22 LEU 47 2HD2 LEU 47 -5.538 0.100 -8.249 329 HD23 LEU 47 3HD2 LEU 47 -3.898 0.008 -7.606 330 H CYS 48 H CYS 48 -5.013 2.666 -10.751 331 HA CYS 48 HA CYS 48 -3.532 3.143 -13.202 332 HB2 CYS 48 1HB CYS 48 -5.591 3.408 -14.232 333 HB3 CYS 48 2HB CYS 48 -6.362 4.013 -12.771 334 HG CYS 48 HG CYS 48 -6.134 6.507 -13.330 335 HA PRO 49 HA PRO 49 -1.635 6.178 -10.643 336 HB2 PRO 49 1HB PRO 49 -0.507 7.724 -12.568 337 HB3 PRO 49 2HB PRO 49 0.111 6.126 -12.135 338 HG2 PRO 49 1HG PRO 49 -1.648 6.919 -14.423 339 HG3 PRO 49 2HG PRO 49 -0.262 5.813 -14.408 340 HD2 PRO 49 1HD PRO 49 -2.825 4.939 -14.364 341 HD3 PRO 49 2HD PRO 49 -1.504 4.067 -13.558 342 H GLY 50 H GLY 50 -3.081 7.466 -9.612 343 HA2 GLY 50 1HA GLY 50 -3.495 10.051 -10.010 344 HA3 GLY 50 2HA GLY 50 -4.661 9.386 -11.143 345 H ASP 51 H ASP 51 -4.857 7.069 -9.074 346 HA ASP 51 HA ASP 51 -7.206 8.061 -7.802 347 HB2 ASP 51 1HB ASP 51 -5.703 5.482 -7.803 348 HB3 ASP 51 2HB ASP 51 -6.859 5.772 -6.506 349 H VAL 52 H VAL 52 -7.551 7.818 -5.408 350 HA VAL 52 HA VAL 52 -5.187 8.812 -3.953 351 HB VAL 52 HB VAL 52 -8.093 9.472 -3.458 352 HG11 VAL 52 1HG1 VAL 52 -5.589 10.052 -1.937 353 HG12 VAL 52 2HG1 VAL 52 -6.920 11.211 -1.912 354 HG13 VAL 52 3HG1 VAL 52 -7.175 9.561 -1.343 355 HG21 VAL 52 1HG2 VAL 52 -7.808 11.086 -4.956 356 HG22 VAL 52 2HG2 VAL 52 -6.565 11.785 -3.918 357 HG23 VAL 52 3HG2 VAL 52 -6.117 10.636 -5.179 358 H ILE 53 H ILE 53 -4.440 7.445 -2.485 359 HA ILE 53 HA ILE 53 -5.990 5.187 -1.608 360 HB ILE 53 HB ILE 53 -3.284 6.086 -0.618 361 HG12 ILE 53 1HG1 ILE 53 -3.694 5.567 -3.175 362 HG13 ILE 53 2HG1 ILE 53 -2.260 4.964 -2.351 363 HG21 ILE 53 1HG2 ILE 53 -3.285 3.409 -0.395 364 HG22 ILE 53 2HG2 ILE 53 -3.787 4.493 0.901 365 HG23 ILE 53 3HG2 ILE 53 -4.998 3.736 -0.133 366 HD11 ILE 53 1HD1 ILE 53 -4.610 3.198 -2.279 367 HD12 ILE 53 2HD1 ILE 53 -3.871 3.444 -3.861 368 HD13 ILE 53 3HD1 ILE 53 -2.905 2.820 -2.524 369 H LEU 54 H LEU 54 -7.647 5.740 -0.285 370 HA LEU 54 HA LEU 54 -7.466 7.728 1.740 371 HB2 LEU 54 1HB LEU 54 -9.458 5.481 1.489 372 HB3 LEU 54 2HB LEU 54 -9.646 6.948 2.448 373 HG LEU 54 HG LEU 54 -9.478 6.864 -0.564 374 HD11 LEU 54 1HD1 LEU 54 -11.536 5.906 -0.133 375 HD12 LEU 54 2HD1 LEU 54 -11.935 7.620 -0.238 376 HD13 LEU 54 3HD1 LEU 54 -11.784 6.845 1.339 377 HD21 LEU 54 1HD2 LEU 54 -9.875 9.152 -0.556 378 HD22 LEU 54 2HD2 LEU 54 -8.722 8.944 0.762 379 HD23 LEU 54 3HD2 LEU 54 -10.439 9.151 1.115 380 H ALA 55 H ALA 55 -7.549 4.170 1.862 381 HA ALA 55 HA ALA 55 -6.052 4.295 4.381 382 HB1 ALA 55 1HB ALA 55 -8.772 3.308 4.035 383 HB2 ALA 55 2HB ALA 55 -7.693 2.135 4.792 384 HB3 ALA 55 3HB ALA 55 -7.898 3.734 5.506 385 H ILE 56 H ILE 56 -4.598 2.647 4.695 386 HA ILE 56 HA ILE 56 -4.269 0.794 2.430 387 HB ILE 56 HB ILE 56 -2.180 1.805 4.363 388 HG12 ILE 56 1HG1 ILE 56 -2.426 2.344 1.401 389 HG13 ILE 56 2HG1 ILE 56 -3.058 3.431 2.632 390 HG21 ILE 56 1HG2 ILE 56 -0.947 0.065 3.753 391 HG22 ILE 56 2HG2 ILE 56 -2.234 -0.508 2.694 392 HG23 ILE 56 3HG2 ILE 56 -1.024 0.619 2.081 393 HD11 ILE 56 1HD1 ILE 56 -0.402 3.204 1.603 394 HD12 ILE 56 2HD1 ILE 56 -1.079 4.409 2.699 395 HD13 ILE 56 3HD1 ILE 56 -0.398 2.915 3.343 396 H ASP 57 H ASP 57 -4.957 -1.185 2.885 397 HA ASP 57 HA ASP 57 -5.540 -3.061 4.057 398 HB2 ASP 57 1HB ASP 57 -3.031 -3.228 3.778 399 HB3 ASP 57 2HB ASP 57 -2.883 -2.628 5.428 400 H GLY 58 H GLY 58 -6.706 -0.806 5.167 401 HA2 GLY 58 1HA GLY 58 -8.008 -0.443 7.057 402 HA3 GLY 58 2HA GLY 58 -7.135 -1.734 7.870 403 H PHE 59 H PHE 59 -5.592 1.010 6.319 404 HA PHE 59 HA PHE 59 -4.990 2.147 8.960 405 HB2 PHE 59 1HB PHE 59 -2.995 1.596 6.755 406 HB3 PHE 59 2HB PHE 59 -2.651 2.560 8.187 407 HD1 PHE 59 2HD PHE 59 -3.833 1.078 10.348 408 HD2 PHE 59 1HD PHE 59 -1.797 -0.358 6.898 409 HE1 PHE 59 2HE PHE 59 -3.208 -0.963 11.571 410 HE2 PHE 59 1HE PHE 59 -1.168 -2.402 8.115 411 HZ PHE 59 HZ PHE 59 -1.873 -2.706 10.456 412 H GLY 60 H GLY 60 -6.345 3.890 8.680 413 HA2 GLY 60 1HA GLY 60 -6.829 5.407 6.457 414 HA3 GLY 60 2HA GLY 60 -6.803 6.068 8.085 415 H THR 61 H THR 61 -5.824 6.924 5.274 416 HA THR 61 HA THR 61 -2.996 7.355 5.761 417 HB THR 61 HB THR 61 -2.960 8.437 3.569 418 HG1 THR 61 1HG THR 61 -5.676 7.819 3.168 419 HG21 THR 61 1HG2 THR 61 -3.045 5.867 3.908 420 HG22 THR 61 2HG2 THR 61 -3.256 6.521 2.283 421 HG23 THR 61 3HG2 THR 61 -4.660 5.995 3.211 422 H GLU 62 H GLU 62 -4.903 8.570 7.590 423 HA GLU 62 HA GLU 62 -4.889 11.400 6.963 424 HB2 GLU 62 1HB GLU 62 -6.810 11.028 8.120 425 HB3 GLU 62 2HB GLU 62 -6.138 9.668 9.007 426 HG2 GLU 62 1HG GLU 62 -5.343 10.973 10.692 427 HG3 GLU 62 2HG GLU 62 -5.119 12.376 9.650 428 H SER 63 H SER 63 -3.252 9.165 9.137 429 HA SER 63 HA SER 63 -1.373 11.328 9.827 430 HB2 SER 63 1HB SER 63 -2.791 10.705 11.763 431 HB3 SER 63 2HB SER 63 -2.222 9.042 11.624 432 HG SER 63 HG SER 63 -0.823 11.343 12.429 433 H MET 64 H MET 64 -1.479 9.034 7.793 434 HA MET 64 HA MET 64 0.981 7.637 8.581 435 HB2 MET 64 1HB MET 64 -0.411 5.942 7.940 436 HB3 MET 64 2HB MET 64 -1.316 6.959 6.827 437 HG2 MET 64 1HG MET 64 0.612 6.879 5.271 438 HG3 MET 64 2HG MET 64 1.395 5.741 6.365 439 HE1 MET 64 1HE MET 64 -0.258 3.540 7.259 440 HE2 MET 64 2HE MET 64 -1.706 4.545 7.213 441 HE3 MET 64 3HE MET 64 -1.657 3.026 6.317 442 H THR 65 H THR 65 2.813 8.446 7.827 443 HA THR 65 HA THR 65 2.903 10.379 5.734 444 HB THR 65 HB THR 65 5.326 10.328 6.010 445 HG1 THR 65 1HG THR 65 5.985 8.775 7.830 446 HG21 THR 65 1HG2 THR 65 3.986 10.113 8.707 447 HG22 THR 65 2HG2 THR 65 3.912 11.536 7.667 448 HG23 THR 65 3HG2 THR 65 5.459 11.000 8.320 449 H HIS 66 H HIS 66 4.429 10.141 3.856 450 HA HIS 66 HA HIS 66 3.570 8.231 2.075 451 HB2 HIS 66 1HB HIS 66 4.795 10.259 1.415 452 HB3 HIS 66 2HB HIS 66 6.272 9.593 2.105 453 HD1 HIS 66 1HD HIS 66 3.924 9.167 -0.797 454 HD2 HIS 66 2HD HIS 66 7.611 7.764 0.507 455 HE1 HIS 66 1HE HIS 66 4.904 7.930 -2.755 456 HE2 HIS 66 2HE HIS 66 7.096 7.017 -1.915 457 H ALA 67 H ALA 67 6.673 8.180 3.835 458 HA ALA 67 HA ALA 67 7.548 5.685 2.985 459 HB1 ALA 67 1HB ALA 67 9.129 5.767 4.711 460 HB2 ALA 67 2HB ALA 67 8.801 7.458 4.329 461 HB3 ALA 67 3HB ALA 67 8.072 6.718 5.754 462 H ASP 68 H ASP 68 5.387 6.537 5.640 463 HA ASP 68 HA ASP 68 5.249 4.029 6.881 464 HB2 ASP 68 1HB ASP 68 3.464 6.426 6.782 465 HB3 ASP 68 2HB ASP 68 2.842 4.934 7.482 466 H ALA 69 H ALA 69 3.241 5.438 4.312 467 HA ALA 69 HA ALA 69 1.429 3.337 4.026 468 HB1 ALA 69 1HB ALA 69 2.375 5.539 2.268 469 HB2 ALA 69 2HB ALA 69 1.439 4.233 1.541 470 HB3 ALA 69 3HB ALA 69 0.753 5.179 2.861 471 H GLN 70 H GLN 70 4.355 3.969 2.078 472 HA GLN 70 HA GLN 70 4.278 1.619 0.583 473 HB2 GLN 70 1HB GLN 70 6.759 2.002 0.296 474 HB3 GLN 70 2HB GLN 70 5.727 3.360 -0.132 475 HG2 GLN 70 1HG GLN 70 6.178 4.200 2.246 476 HG3 GLN 70 2HG GLN 70 7.497 3.029 2.259 477 HE21 GLN 70 1HE2 GLN 70 6.241 5.163 -0.275 478 HE22 GLN 70 2HE2 GLN 70 7.736 5.976 -0.574 479 H ASP 71 H ASP 71 5.273 2.176 3.850 480 HA ASP 71 HA ASP 71 6.800 -0.236 4.123 481 HB2 ASP 71 1HB ASP 71 5.759 1.837 6.028 482 HB3 ASP 71 2HB ASP 71 6.418 0.323 6.642 483 H ARG 72 H ARG 72 3.461 0.633 4.364 484 HA ARG 72 HA ARG 72 2.734 -1.766 5.824 485 HB2 ARG 72 1HB ARG 72 1.293 0.651 4.836 486 HB3 ARG 72 2HB ARG 72 0.359 -0.812 5.119 487 HG2 ARG 72 1HG ARG 72 0.164 0.110 7.172 488 HG3 ARG 72 2HG ARG 72 1.692 -0.737 7.421 489 HD2 ARG 72 1HD ARG 72 2.947 1.211 7.222 490 HD3 ARG 72 2HD ARG 72 1.656 2.070 6.382 491 HE ARG 72 HE ARG 72 0.538 1.690 8.761 492 HH11 ARG 72 2HH1 ARG 72 3.740 2.764 7.918 493 HH12 ARG 72 1HH1 ARG 72 3.928 3.740 9.336 494 HH21 ARG 72 2HH2 ARG 72 0.773 2.972 10.633 495 HH22 ARG 72 1HH2 ARG 72 2.240 3.857 10.881 496 H ILE 73 H ILE 73 2.882 -0.636 2.544 497 HA ILE 73 HA ILE 73 1.166 -2.638 1.436 498 HB ILE 73 HB ILE 73 3.138 -0.715 0.235 499 HG12 ILE 73 1HG1 ILE 73 0.262 -0.943 -0.528 500 HG13 ILE 73 2HG1 ILE 73 0.651 -0.252 1.044 501 HG21 ILE 73 1HG2 ILE 73 2.492 -1.512 -1.984 502 HG22 ILE 73 2HG2 ILE 73 3.300 -2.774 -1.056 503 HG23 ILE 73 3HG2 ILE 73 1.547 -2.805 -1.245 504 HD11 ILE 73 1HD1 ILE 73 0.390 1.494 -0.592 505 HD12 ILE 73 2HD1 ILE 73 2.074 1.412 -0.073 506 HD13 ILE 73 3HD1 ILE 73 1.598 0.741 -1.633 507 H LYS 74 H LYS 74 4.667 -2.268 1.800 508 HA LYS 74 HA LYS 74 5.325 -4.668 0.414 509 HB2 LYS 74 1HB LYS 74 7.565 -4.297 1.155 510 HB3 LYS 74 2HB LYS 74 6.875 -2.724 0.776 511 HG2 LYS 74 1HG LYS 74 6.511 -2.283 3.129 512 HG3 LYS 74 2HG LYS 74 7.116 -3.888 3.543 513 HD2 LYS 74 1HD LYS 74 9.281 -3.235 2.430 514 HD3 LYS 74 2HD LYS 74 8.648 -1.590 2.339 515 HE2 LYS 74 1HE LYS 74 9.907 -1.586 4.299 516 HE3 LYS 74 2HE LYS 74 8.255 -1.824 4.869 517 HZ1 LYS 74 1HZ LYS 74 9.797 -4.227 4.292 518 HZ2 LYS 74 2HZ LYS 74 8.690 -3.923 5.534 519 HZ3 LYS 74 3HZ LYS 74 10.273 -3.337 5.650 520 H ALA 75 H ALA 75 4.871 -3.832 3.818 521 HA ALA 75 HA ALA 75 5.430 -6.563 4.649 522 HB1 ALA 75 1HB ALA 75 4.794 -4.042 6.158 523 HB2 ALA 75 2HB ALA 75 4.909 -5.618 6.943 524 HB3 ALA 75 3HB ALA 75 6.311 -4.941 6.115 525 H ALA 76 H ALA 76 2.967 -5.493 3.070 526 HA ALA 76 HA ALA 76 0.700 -5.922 4.707 527 HB1 ALA 76 1HB ALA 76 -0.582 -5.806 2.733 528 HB2 ALA 76 2HB ALA 76 0.784 -4.720 2.478 529 HB3 ALA 76 3HB ALA 76 0.775 -6.316 1.728 530 H SER 77 H SER 77 -0.945 -7.696 3.617 531 HA SER 77 HA SER 77 0.348 -10.247 4.230 532 HB2 SER 77 1HB SER 77 -2.463 -9.236 4.334 533 HB3 SER 77 2HB SER 77 -2.198 -10.967 4.125 534 HG SER 77 HG SER 77 -2.186 -9.685 6.370 535 H TYR 78 H TYR 78 -0.801 -12.159 3.001 536 HA TYR 78 HA TYR 78 0.136 -12.338 0.474 537 HB2 TYR 78 1HB TYR 78 -0.660 -14.351 1.282 538 HB3 TYR 78 2HB TYR 78 -2.176 -13.651 1.839 539 HD1 TYR 78 2HD TYR 78 -0.351 -14.895 -1.113 540 HD2 TYR 78 1HD TYR 78 -4.088 -13.544 0.408 541 HE1 TYR 78 2HE TYR 78 -1.468 -15.715 -3.145 542 HE2 TYR 78 1HE TYR 78 -5.215 -14.361 -1.620 543 HH TYR 78 HH TYR 78 -3.718 -15.055 -4.402 544 H GLN 79 H GLN 79 -2.752 -10.685 1.483 545 HA GLN 79 HA GLN 79 -3.175 -9.823 -1.298 546 HB2 GLN 79 1HB GLN 79 -5.596 -9.786 -0.893 547 HB3 GLN 79 2HB GLN 79 -4.935 -11.405 -0.708 548 HG2 GLN 79 1HG GLN 79 -4.914 -11.069 1.743 549 HG3 GLN 79 2HG GLN 79 -5.700 -9.510 1.499 550 HE21 GLN 79 1HE2 GLN 79 -7.700 -9.743 2.219 551 HE22 GLN 79 2HE2 GLN 79 -8.791 -11.007 1.775 552 H LEU 80 H LEU 80 -3.096 -7.692 -1.557 553 HA LEU 80 HA LEU 80 -3.031 -5.985 0.803 554 HB2 LEU 80 1HB LEU 80 -1.265 -5.742 -0.852 555 HB3 LEU 80 2HB LEU 80 -2.461 -5.396 -2.099 556 HG LEU 80 HG LEU 80 -3.083 -3.349 -0.729 557 HD11 LEU 80 1HD1 LEU 80 -0.553 -2.976 0.483 558 HD12 LEU 80 2HD1 LEU 80 -1.196 -4.520 1.042 559 HD13 LEU 80 3HD1 LEU 80 -2.139 -3.045 1.250 560 HD21 LEU 80 1HD2 LEU 80 -0.380 -3.635 -2.023 561 HD22 LEU 80 2HD2 LEU 80 -1.067 -2.084 -1.539 562 HD23 LEU 80 3HD2 LEU 80 -1.880 -3.068 -2.758 563 H CYS 81 H CYS 81 -4.740 -4.876 1.464 564 HA CYS 81 HA CYS 81 -6.946 -4.433 -0.432 565 HB2 CYS 81 1HB CYS 81 -6.931 -4.716 2.574 566 HB3 CYS 81 2HB CYS 81 -8.332 -4.150 1.674 567 HG CYS 81 HG CYS 81 -6.871 -7.205 1.181 568 H LEU 82 H LEU 82 -6.837 -2.446 -1.256 569 HA LEU 82 HA LEU 82 -6.261 -0.213 0.580 570 HB2 LEU 82 1HB LEU 82 -5.771 -0.226 -2.389 571 HB3 LEU 82 2HB LEU 82 -5.260 0.990 -1.221 572 HG LEU 82 HG LEU 82 -4.202 -1.831 -1.396 573 HD11 LEU 82 1HD1 LEU 82 -2.208 0.120 -1.818 574 HD12 LEU 82 2HD1 LEU 82 -3.561 0.517 -2.876 575 HD13 LEU 82 3HD1 LEU 82 -2.820 -1.081 -2.955 576 HD21 LEU 82 1HD2 LEU 82 -2.658 -1.225 0.300 577 HD22 LEU 82 2HD2 LEU 82 -4.259 -0.774 0.887 578 HD23 LEU 82 3HD2 LEU 82 -3.169 0.462 0.257 579 H LYS 83 H LYS 83 -7.559 1.589 0.494 580 HA LYS 83 HA LYS 83 -10.031 1.288 -1.075 581 HB2 LYS 83 1HB LYS 83 -10.468 1.311 1.292 582 HB3 LYS 83 2HB LYS 83 -9.485 2.753 1.510 583 HG2 LYS 83 1HG LYS 83 -11.174 3.864 -0.096 584 HG3 LYS 83 2HG LYS 83 -12.206 2.489 0.302 585 HD2 LYS 83 1HD LYS 83 -11.610 3.124 2.765 586 HD3 LYS 83 2HD LYS 83 -11.213 4.693 2.061 587 HE2 LYS 83 1HE LYS 83 -13.487 4.758 2.805 588 HE3 LYS 83 2HE LYS 83 -13.485 4.736 1.042 589 HZ1 LYS 83 1HZ LYS 83 -13.806 2.275 2.657 590 HZ2 LYS 83 2HZ LYS 83 -14.138 2.495 1.014 591 HZ3 LYS 83 3HZ LYS 83 -15.125 3.222 2.180 592 H ILE 84 H ILE 84 -10.760 2.923 -2.369 593 HA ILE 84 HA ILE 84 -9.128 5.366 -2.515 594 HB ILE 84 HB ILE 84 -9.566 5.271 -5.043 595 HG12 ILE 84 1HG1 ILE 84 -9.517 2.718 -5.719 596 HG13 ILE 84 2HG1 ILE 84 -10.334 2.513 -4.174 597 HG21 ILE 84 1HG2 ILE 84 -7.604 3.617 -3.517 598 HG22 ILE 84 2HG2 ILE 84 -7.613 3.561 -5.279 599 HG23 ILE 84 3HG2 ILE 84 -7.347 5.093 -4.447 600 HD11 ILE 84 1HD1 ILE 84 -11.664 2.862 -6.417 601 HD12 ILE 84 2HD1 ILE 84 -12.234 3.535 -4.889 602 HD13 ILE 84 3HD1 ILE 84 -11.383 4.562 -6.043 603 H ASP 85 H ASP 85 -10.204 7.239 -3.155 604 HA ASP 85 HA ASP 85 -13.048 7.221 -2.640 605 HB2 ASP 85 1HB ASP 85 -11.442 8.986 -1.786 606 HB3 ASP 85 2HB ASP 85 -11.349 9.587 -3.439 607 H ARG 86 H ARG 86 -12.340 5.816 -4.982 608 HA ARG 86 HA ARG 86 -12.590 5.785 -7.282 609 HB2 ARG 86 1HB ARG 86 -14.852 5.443 -6.169 610 HB3 ARG 86 2HB ARG 86 -15.196 7.122 -6.565 611 HG2 ARG 86 1HG ARG 86 -15.036 6.669 -8.909 612 HG3 ARG 86 2HG ARG 86 -14.467 5.028 -8.599 613 HD2 ARG 86 1HD ARG 86 -16.546 4.283 -7.957 614 HD3 ARG 86 2HD ARG 86 -17.087 5.889 -7.470 615 HE ARG 86 HE ARG 86 -16.704 5.962 -10.215 616 HH11 ARG 86 2HH1 ARG 86 -18.729 4.291 -7.930 617 HH12 ARG 86 1HH1 ARG 86 -20.051 4.110 -9.035 618 HH21 ARG 86 2HH2 ARG 86 -18.437 5.731 -11.680 619 HH22 ARG 86 1HH2 ARG 86 -19.883 4.928 -11.169 620 H ALA 87 H ALA 87 -11.115 8.068 -6.550 621 HA ALA 87 HA ALA 87 -12.031 10.510 -7.485 622 HB1 ALA 87 1HB ALA 87 -9.383 10.558 -8.181 623 HB2 ALA 87 2HB ALA 87 -10.028 10.922 -6.580 624 HB3 ALA 87 3HB ALA 87 -9.429 9.304 -6.942 625 H GLU 88 H GLU 88 -13.237 10.391 -9.354 626 HA GLU 88 HA GLU 88 -12.105 9.187 -11.738 627 HB2 GLU 88 1HB GLU 88 -14.253 9.894 -12.793 628 HB3 GLU 88 2HB GLU 88 -14.457 8.852 -11.392 629 HG2 GLU 88 1HG GLU 88 -15.109 10.683 -10.023 630 HG3 GLU 88 2HG GLU 88 -14.660 11.848 -11.268 631 H THR 89 H THR 89 -12.995 12.409 -10.573 632 HA THR 89 HA THR 89 -11.322 13.552 -12.712 633 HB THR 89 HB THR 89 -13.863 14.785 -11.629 634 HG1 THR 89 1HG THR 89 -13.594 14.030 -14.307 635 HG21 THR 89 1HG2 THR 89 -12.143 15.647 -13.955 636 HG22 THR 89 2HG2 THR 89 -12.087 16.381 -12.352 637 HG23 THR 89 3HG2 THR 89 -13.561 16.475 -13.314 638 H ARG 90 H ARG 90 -12.238 13.501 -9.389 639 HA ARG 90 HA ARG 90 -11.504 14.613 -7.539 640 HB2 ARG 90 1HB ARG 90 -9.101 14.408 -9.304 641 HB3 ARG 90 2HB ARG 90 -8.986 15.345 -7.820 642 HG2 ARG 90 1HG ARG 90 -9.521 13.438 -6.489 643 HG3 ARG 90 2HG ARG 90 -9.906 12.483 -7.922 644 HD2 ARG 90 1HD ARG 90 -7.765 11.769 -7.354 645 HD3 ARG 90 2HD ARG 90 -7.478 12.953 -8.628 646 HE ARG 90 HE ARG 90 -6.767 13.187 -5.835 647 HH11 ARG 90 2HH1 ARG 90 -7.255 14.830 -8.864 648 HH12 ARG 90 1HH1 ARG 90 -6.270 16.190 -8.435 649 HH21 ARG 90 2HH2 ARG 90 -5.468 14.971 -5.258 650 HH22 ARG 90 1HH2 ARG 90 -5.253 16.268 -6.384 651 H LEU 91 H LEU 91 -13.045 16.232 -9.116 652 HA LEU 91 HA LEU 91 -11.636 18.796 -9.275 653 HB2 LEU 91 1HB LEU 91 -13.099 17.824 -11.157 654 HB3 LEU 91 2HB LEU 91 -14.462 18.303 -10.147 655 HG LEU 91 HG LEU 91 -14.137 20.002 -11.780 656 HD11 LEU 91 1HD1 LEU 91 -12.805 21.170 -9.368 657 HD12 LEU 91 2HD1 LEU 91 -14.474 20.604 -9.295 658 HD13 LEU 91 3HD1 LEU 91 -14.025 21.880 -10.426 659 HD21 LEU 91 1HD2 LEU 91 -11.993 19.733 -12.618 660 HD22 LEU 91 2HD2 LEU 91 -11.253 19.759 -11.017 661 HD23 LEU 91 3HD2 LEU 91 -11.872 21.251 -11.728 662 H TRP 92 H TRP 92 -14.537 17.322 -7.865 663 HA TRP 92 HA TRP 92 -14.370 19.135 -5.615 664 HB2 TRP 92 1HB TRP 92 -15.774 20.247 -7.465 665 HB3 TRP 92 2HB TRP 92 -16.987 19.023 -7.100 666 HD1 TRP 92 HD TRP 92 -18.032 19.091 -4.559 667 HE1 TRP 92 1HE TRP 92 -18.405 21.094 -2.986 668 HE3 TRP 92 3HE TRP 92 -14.886 22.457 -6.773 669 HZ2 TRP 92 2HZ TRP 92 -17.487 23.750 -2.719 670 HZ3 TRP 92 3HZ TRP 92 -14.691 24.708 -5.797 671 HH2 TRP 92 HH TRP 92 -15.966 25.339 -3.813 672 H SER 93 H SER 93 -14.462 17.772 -3.961 673 HA SER 93 HA SER 93 -16.572 15.724 -3.951 674 HB2 SER 93 1HB SER 93 -15.063 14.100 -2.969 675 HB3 SER 93 2HB SER 93 -14.361 14.691 -4.475 676 HG SER 93 HG SER 93 -12.857 14.610 -2.715 677 HA PRO 94 HA PRO 94 -17.333 17.983 -0.148 678 HB2 PRO 94 1HB PRO 94 -19.722 16.794 0.352 679 HB3 PRO 94 2HB PRO 94 -19.528 18.107 -0.816 680 HG2 PRO 94 1HG PRO 94 -19.687 15.156 -1.292 681 HG3 PRO 94 2HG PRO 94 -20.458 16.477 -2.189 682 HD2 PRO 94 1HD PRO 94 -18.214 15.239 -3.062 683 HD3 PRO 94 2HD PRO 94 -18.544 16.954 -3.380 684 H GLN 95 H GLN 95 -17.872 14.484 -0.509 685 HA GLN 95 HA GLN 95 -16.877 14.134 2.242 686 HB2 GLN 95 1HB GLN 95 -18.217 12.096 2.377 687 HB3 GLN 95 2HB GLN 95 -19.231 13.487 2.016 688 HG2 GLN 95 1HG GLN 95 -18.938 12.766 -0.446 689 HG3 GLN 95 2HG GLN 95 -18.436 11.221 0.240 690 HE21 GLN 95 1HE2 GLN 95 -20.789 11.945 -1.368 691 HE22 GLN 95 2HE2 GLN 95 -22.158 11.452 -0.438 692 H VAL 96 H VAL 96 -15.993 11.816 2.554 693 HA VAL 96 HA VAL 96 -13.838 11.491 0.678 694 HB VAL 96 HB VAL 96 -13.575 11.185 3.149 695 HG11 VAL 96 1HG1 VAL 96 -14.541 9.488 4.322 696 HG12 VAL 96 2HG1 VAL 96 -15.797 9.733 3.105 697 HG13 VAL 96 3HG1 VAL 96 -14.631 8.421 2.921 698 HG21 VAL 96 1HG2 VAL 96 -11.800 9.828 2.819 699 HG22 VAL 96 2HG2 VAL 96 -12.763 8.580 2.028 700 HG23 VAL 96 3HG2 VAL 96 -12.248 10.003 1.122 701 H SER 97 H SER 97 -16.944 10.094 1.154 702 HA SER 97 HA SER 97 -16.865 8.636 -1.250 703 HB2 SER 97 1HB SER 97 -17.105 6.326 -0.161 704 HB3 SER 97 2HB SER 97 -15.481 7.010 -0.230 705 HG SER 97 HG SER 97 -16.055 6.124 1.842 706 H SER 98 H SER 98 -18.812 7.073 -1.367 707 HA SER 98 HA SER 98 -21.013 8.080 0.306 708 HB2 SER 98 1HB SER 98 -21.103 7.681 -2.695 709 HB3 SER 98 2HB SER 98 -22.474 8.132 -1.681 710 HG SER 98 HG SER 98 -20.081 9.640 -1.917 711 H GLY 99 H GLY 99 -22.918 6.665 0.323 712 HA2 GLY 99 1HA GLY 99 -23.337 4.229 -0.715 713 HA3 GLY 99 2HA GLY 99 -22.084 3.888 0.469 714 HA PRO 100 HA PRO 100 -25.120 3.458 3.597 715 HB2 PRO 100 1HB PRO 100 -23.784 4.362 5.782 716 HB3 PRO 100 2HB PRO 100 -23.420 2.817 5.004 717 HG2 PRO 100 1HG PRO 100 -22.024 5.451 4.731 718 HG3 PRO 100 2HG PRO 100 -21.329 3.828 4.897 719 HD2 PRO 100 1HD PRO 100 -21.522 5.094 2.511 720 HD3 PRO 100 2HD PRO 100 -21.642 3.329 2.669 721 H SER 101 H SER 101 -24.089 6.469 2.549 722 HA SER 101 HA SER 101 -25.085 8.521 2.583 723 HB2 SER 101 1HB SER 101 -27.213 7.390 4.401 724 HB3 SER 101 2HB SER 101 -27.339 8.763 3.301 725 HG SER 101 HG SER 101 -28.084 6.386 2.755 726 H SER 102 H SER 102 -22.993 8.110 4.251 727 HA SER 102 HA SER 102 -23.443 10.089 6.271 728 HB2 SER 102 1HB SER 102 -24.268 7.952 7.349 729 HB3 SER 102 2HB SER 102 -22.612 7.353 7.253 730 HG SER 102 HG SER 102 -21.963 8.904 8.665 731 H GLY 103 H GLY 103 -21.536 11.004 7.026 732 HA2 GLY 103 1HA GLY 103 -19.015 9.799 6.118 733 HA3 GLY 103 2HA GLY 103 -19.397 11.439 5.614 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -31.723 2.336 4.515 2 HA2 GLY 1 1HA GLY 1 -29.523 1.619 2.676 3 HA3 GLY 1 2HA GLY 1 -30.936 2.540 2.181 4 H SER 2 H SER 2 -28.512 3.570 1.617 5 HA SER 2 HA SER 2 -28.592 6.092 2.907 6 HB2 SER 2 1HB SER 2 -26.539 6.092 4.123 7 HB3 SER 2 2HB SER 2 -27.418 4.655 4.644 8 HG SER 2 HG SER 2 -25.675 3.631 4.090 9 H SER 3 H SER 3 -27.077 7.612 1.998 10 HA SER 3 HA SER 3 -26.398 6.922 -0.737 11 HB2 SER 3 1HB SER 3 -25.960 9.324 -1.009 12 HB3 SER 3 2HB SER 3 -27.536 9.055 -0.265 13 HG SER 3 HG SER 3 -26.563 10.617 0.936 14 H GLY 4 H GLY 4 -24.379 6.755 -1.581 15 HA2 GLY 4 1HA GLY 4 -21.996 7.576 -1.249 16 HA3 GLY 4 2HA GLY 4 -22.155 6.877 0.356 17 H SER 5 H SER 5 -20.244 6.225 -1.747 18 HA SER 5 HA SER 5 -20.874 3.362 -1.991 19 HB2 SER 5 1HB SER 5 -19.904 5.248 -4.117 20 HB3 SER 5 2HB SER 5 -19.476 3.539 -4.190 21 HG SER 5 HG SER 5 -21.724 4.667 -4.966 22 H SER 6 H SER 6 -18.762 2.154 -2.678 23 HA SER 6 HA SER 6 -16.401 3.310 -1.399 24 HB2 SER 6 1HB SER 6 -17.543 0.609 -0.641 25 HB3 SER 6 2HB SER 6 -16.019 1.281 -0.060 26 HG SER 6 HG SER 6 -17.087 2.708 1.157 27 H GLY 7 H GLY 7 -14.657 2.981 -2.611 28 HA2 GLY 7 1HA GLY 7 -14.816 1.022 -4.782 29 HA3 GLY 7 2HA GLY 7 -13.662 2.343 -4.661 30 H ASN 8 H ASN 8 -14.472 -0.874 -3.508 31 HA ASN 8 HA ASN 8 -12.107 -1.196 -1.941 32 HB2 ASN 8 1HB ASN 8 -12.761 -3.643 -2.011 33 HB3 ASN 8 2HB ASN 8 -13.977 -2.550 -1.355 34 HD21 ASN 8 1HD2 ASN 8 -12.972 -3.981 -4.439 35 HD22 ASN 8 2HD2 ASN 8 -14.573 -4.256 -5.028 36 H VAL 9 H VAL 9 -10.215 -2.270 -2.427 37 HA VAL 9 HA VAL 9 -9.834 -3.268 -5.149 38 HB VAL 9 HB VAL 9 -8.089 -1.148 -3.890 39 HG11 VAL 9 1HG1 VAL 9 -6.605 -1.357 -5.727 40 HG12 VAL 9 2HG1 VAL 9 -6.861 -2.988 -5.104 41 HG13 VAL 9 3HG1 VAL 9 -7.691 -2.462 -6.568 42 HG21 VAL 9 1HG2 VAL 9 -8.815 0.305 -5.571 43 HG22 VAL 9 2HG2 VAL 9 -9.477 -1.006 -6.547 44 HG23 VAL 9 3HG2 VAL 9 -10.286 -0.521 -5.057 45 H VAL 10 H VAL 10 -9.317 -5.322 -4.693 46 HA VAL 10 HA VAL 10 -7.243 -5.809 -2.656 47 HB VAL 10 HB VAL 10 -9.138 -7.914 -3.662 48 HG11 VAL 10 1HG1 VAL 10 -8.562 -9.060 -1.639 49 HG12 VAL 10 2HG1 VAL 10 -7.067 -8.551 -2.428 50 HG13 VAL 10 3HG1 VAL 10 -7.681 -7.657 -1.037 51 HG21 VAL 10 1HG2 VAL 10 -9.841 -5.614 -2.131 52 HG22 VAL 10 2HG2 VAL 10 -10.857 -6.970 -2.619 53 HG23 VAL 10 3HG2 VAL 10 -9.958 -7.042 -1.103 54 H LEU 11 H LEU 11 -5.332 -6.076 -3.609 55 HA LEU 11 HA LEU 11 -5.180 -7.325 -6.245 56 HB2 LEU 11 1HB LEU 11 -2.861 -6.227 -4.694 57 HB3 LEU 11 2HB LEU 11 -3.023 -6.431 -6.437 58 HG LEU 11 HG LEU 11 -4.533 -4.402 -4.791 59 HD11 LEU 11 1HD1 LEU 11 -2.105 -3.970 -4.864 60 HD12 LEU 11 2HD1 LEU 11 -3.044 -2.751 -5.726 61 HD13 LEU 11 3HD1 LEU 11 -2.177 -3.995 -6.627 62 HD21 LEU 11 1HD2 LEU 11 -5.028 -3.434 -7.026 63 HD22 LEU 11 2HD2 LEU 11 -5.763 -5.015 -6.759 64 HD23 LEU 11 3HD2 LEU 11 -4.317 -4.871 -7.761 65 HA PRO 12 HA PRO 12 -3.946 -11.227 -4.604 66 HB2 PRO 12 1HB PRO 12 -2.774 -12.242 -6.833 67 HB3 PRO 12 2HB PRO 12 -4.526 -12.093 -6.651 68 HG2 PRO 12 1HG PRO 12 -2.614 -10.302 -8.099 69 HG3 PRO 12 2HG PRO 12 -4.216 -10.869 -8.604 70 HD2 PRO 12 1HD PRO 12 -3.804 -8.401 -7.570 71 HD3 PRO 12 2HD PRO 12 -5.314 -9.300 -7.322 72 H GLY 13 H GLY 13 -2.313 -11.393 -3.198 73 HA2 GLY 13 1HA GLY 13 0.380 -10.565 -4.076 74 HA3 GLY 13 2HA GLY 13 -0.170 -10.567 -2.407 75 HA PRO 14 HA PRO 14 1.380 -10.862 -1.193 76 HB2 PRO 14 1HB PRO 14 4.006 -11.442 -0.826 77 HB3 PRO 14 2HB PRO 14 2.717 -12.177 0.134 78 HG2 PRO 14 1HG PRO 14 4.191 -13.286 -2.224 79 HG3 PRO 14 2HG PRO 14 3.735 -14.090 -0.710 80 HD2 PRO 14 1HD PRO 14 2.338 -14.410 -3.008 81 HD3 PRO 14 2HD PRO 14 1.568 -14.452 -1.409 82 H ALA 15 H ALA 15 3.617 -9.472 -1.338 83 HA ALA 15 HA ALA 15 3.485 -8.138 -3.810 84 HB1 ALA 15 1HB ALA 15 4.403 -6.600 -2.496 85 HB2 ALA 15 2HB ALA 15 4.871 -7.816 -1.307 86 HB3 ALA 15 3HB ALA 15 5.937 -7.454 -2.664 87 HA PRO 16 HA PRO 16 5.490 -6.621 -4.466 88 HB2 PRO 16 1HB PRO 16 5.865 -6.120 -7.108 89 HB3 PRO 16 2HB PRO 16 7.202 -6.316 -5.967 90 HG2 PRO 16 1HG PRO 16 6.045 -8.299 -7.889 91 HG3 PRO 16 2HG PRO 16 7.746 -7.962 -7.517 92 HD2 PRO 16 1HD PRO 16 6.416 -10.075 -6.468 93 HD3 PRO 16 2HD PRO 16 7.705 -9.228 -5.591 94 H TRP 17 H TRP 17 3.957 -5.142 -5.532 95 HA TRP 17 HA TRP 17 1.514 -6.577 -6.282 96 HB2 TRP 17 1HB TRP 17 1.820 -3.673 -5.496 97 HB3 TRP 17 2HB TRP 17 0.313 -4.571 -5.661 98 HD1 TRP 17 HD TRP 17 2.729 -3.504 -3.111 99 HE1 TRP 17 1HE TRP 17 2.346 -4.763 -0.899 100 HE3 TRP 17 3HE TRP 17 -0.367 -7.202 -4.808 101 HZ2 TRP 17 2HZ TRP 17 0.920 -7.025 0.007 102 HZ3 TRP 17 3HZ TRP 17 -1.195 -8.874 -3.204 103 HH2 TRP 17 HH TRP 17 -0.564 -8.786 -0.848 104 H GLY 18 H GLY 18 3.479 -3.787 -7.290 105 HA2 GLY 18 1HA GLY 18 3.997 -3.636 -9.690 106 HA3 GLY 18 2HA GLY 18 2.333 -4.112 -9.995 107 H PHE 19 H PHE 19 1.829 -2.233 -7.510 108 HA PHE 19 HA PHE 19 1.522 0.171 -9.169 109 HB2 PHE 19 1HB PHE 19 -0.411 0.662 -8.034 110 HB3 PHE 19 2HB PHE 19 -0.420 -1.091 -7.868 111 HD1 PHE 19 2HD PHE 19 0.138 -2.141 -5.739 112 HD2 PHE 19 1HD PHE 19 -0.020 2.092 -6.153 113 HE1 PHE 19 2HE PHE 19 0.070 -1.908 -3.291 114 HE2 PHE 19 1HE PHE 19 -0.087 2.332 -3.705 115 HZ PHE 19 HZ PHE 19 -0.044 0.331 -2.271 116 H ARG 20 H ARG 20 2.037 2.229 -8.331 117 HA ARG 20 HA ARG 20 4.008 2.155 -6.143 118 HB2 ARG 20 1HB ARG 20 3.827 4.173 -8.386 119 HB3 ARG 20 2HB ARG 20 5.101 4.049 -7.180 120 HG2 ARG 20 1HG ARG 20 4.475 1.973 -9.269 121 HG3 ARG 20 2HG ARG 20 5.783 3.154 -9.353 122 HD2 ARG 20 1HD ARG 20 5.574 1.362 -6.977 123 HD3 ARG 20 2HD ARG 20 6.229 0.724 -8.484 124 HE ARG 20 HE ARG 20 7.477 2.624 -6.707 125 HH11 ARG 20 2HH1 ARG 20 7.391 1.296 -9.924 126 HH12 ARG 20 1HH1 ARG 20 9.020 1.752 -10.297 127 HH21 ARG 20 2HH2 ARG 20 9.623 3.229 -7.186 128 HH22 ARG 20 1HH2 ARG 20 10.289 2.851 -8.738 129 H LEU 21 H LEU 21 4.274 4.488 -5.184 130 HA LEU 21 HA LEU 21 1.642 5.731 -4.812 131 HB2 LEU 21 1HB LEU 21 2.194 5.945 -2.369 132 HB3 LEU 21 2HB LEU 21 1.791 4.324 -2.930 133 HG LEU 21 HG LEU 21 4.255 3.841 -3.002 134 HD11 LEU 21 1HD1 LEU 21 5.302 5.599 -1.189 135 HD12 LEU 21 2HD1 LEU 21 4.322 6.650 -2.209 136 HD13 LEU 21 3HD1 LEU 21 5.576 5.642 -2.931 137 HD21 LEU 21 1HD2 LEU 21 4.074 2.969 -0.950 138 HD22 LEU 21 2HD2 LEU 21 2.464 3.690 -0.939 139 HD23 LEU 21 3HD2 LEU 21 3.819 4.545 -0.200 140 H SER 22 H SER 22 1.662 7.923 -4.465 141 HA SER 22 HA SER 22 4.259 9.259 -4.223 142 HB2 SER 22 1HB SER 22 4.051 9.479 -6.526 143 HB3 SER 22 2HB SER 22 2.290 9.559 -6.462 144 HG SER 22 HG SER 22 2.503 11.650 -5.551 145 H GLY 23 H GLY 23 4.230 10.892 -2.808 146 HA2 GLY 23 1HA GLY 23 2.872 12.962 -2.210 147 HA3 GLY 23 2HA GLY 23 1.593 11.811 -1.855 148 H GLY 24 H GLY 24 1.421 12.332 0.311 149 HA2 GLY 24 1HA GLY 24 2.270 11.074 2.348 150 HA3 GLY 24 2HA GLY 24 3.817 11.809 1.954 151 H ILE 25 H ILE 25 1.325 12.036 4.008 152 HA ILE 25 HA ILE 25 0.409 14.590 4.156 153 HB ILE 25 HB ILE 25 0.209 14.352 6.545 154 HG12 ILE 25 1HG1 ILE 25 1.937 11.886 6.426 155 HG13 ILE 25 2HG1 ILE 25 2.610 13.474 6.777 156 HG21 ILE 25 1HG2 ILE 25 -1.391 12.831 6.286 157 HG22 ILE 25 2HG2 ILE 25 -0.738 12.513 4.680 158 HG23 ILE 25 3HG2 ILE 25 -0.209 11.543 6.054 159 HD11 ILE 25 1HD1 ILE 25 1.031 13.639 8.691 160 HD12 ILE 25 2HD1 ILE 25 0.564 11.967 8.380 161 HD13 ILE 25 3HD1 ILE 25 2.224 12.349 8.836 162 H ASP 26 H ASP 26 3.666 13.538 4.585 163 HA ASP 26 HA ASP 26 4.580 15.866 5.988 164 HB2 ASP 26 1HB ASP 26 5.949 14.020 6.359 165 HB3 ASP 26 2HB ASP 26 5.910 13.525 4.669 166 H PHE 27 H PHE 27 4.552 14.792 2.623 167 HA PHE 27 HA PHE 27 5.909 17.184 1.720 168 HB2 PHE 27 1HB PHE 27 4.689 14.853 0.231 169 HB3 PHE 27 2HB PHE 27 5.490 16.206 -0.560 170 HD1 PHE 27 2HD PHE 27 7.924 16.671 0.093 171 HD2 PHE 27 1HD PHE 27 5.911 13.020 0.950 172 HE1 PHE 27 2HE PHE 27 10.094 15.541 0.358 173 HE2 PHE 27 1HE PHE 27 8.078 11.884 1.217 174 HZ PHE 27 HZ PHE 27 10.173 13.144 0.920 175 H ASN 28 H ASN 28 3.062 16.985 2.973 176 HA ASN 28 HA ASN 28 1.047 18.022 2.754 177 HB2 ASN 28 1HB ASN 28 2.973 19.844 1.375 178 HB3 ASN 28 2HB ASN 28 1.252 20.200 1.263 179 HD21 ASN 28 1HD2 ASN 28 0.114 20.758 3.118 180 HD22 ASN 28 2HD2 ASN 28 0.912 21.258 4.567 181 H GLN 29 H GLN 29 1.407 15.854 1.025 182 HA GLN 29 HA GLN 29 -0.459 16.591 -1.086 183 HB2 GLN 29 1HB GLN 29 2.306 15.561 -1.533 184 HB3 GLN 29 2HB GLN 29 1.025 15.008 -2.603 185 HG2 GLN 29 1HG GLN 29 0.516 17.585 -2.771 186 HG3 GLN 29 2HG GLN 29 2.209 17.712 -2.297 187 HE21 GLN 29 1HE2 GLN 29 3.268 15.518 -3.573 188 HE22 GLN 29 2HE2 GLN 29 3.165 15.744 -5.283 189 HA PRO 30 HA PRO 30 -2.297 12.793 0.186 190 HB2 PRO 30 1HB PRO 30 -3.947 12.418 -1.936 191 HB3 PRO 30 2HB PRO 30 -4.251 13.629 -0.686 192 HG2 PRO 30 1HG PRO 30 -3.045 13.974 -3.404 193 HG3 PRO 30 2HG PRO 30 -4.238 14.989 -2.572 194 HD2 PRO 30 1HD PRO 30 -1.610 15.631 -2.690 195 HD3 PRO 30 2HD PRO 30 -2.635 16.054 -1.304 196 H LEU 31 H LEU 31 -1.920 10.648 -0.062 197 HA LEU 31 HA LEU 31 0.075 9.809 -1.919 198 HB2 LEU 31 1HB LEU 31 -1.686 8.095 -0.177 199 HB3 LEU 31 2HB LEU 31 -0.153 7.632 -0.913 200 HG LEU 31 HG LEU 31 -0.203 9.909 1.014 201 HD11 LEU 31 1HD1 LEU 31 -1.435 8.305 2.252 202 HD12 LEU 31 2HD1 LEU 31 0.229 8.230 2.832 203 HD13 LEU 31 3HD1 LEU 31 -0.378 6.992 1.732 204 HD21 LEU 31 1HD2 LEU 31 1.817 7.717 0.589 205 HD22 LEU 31 2HD2 LEU 31 2.042 9.253 1.427 206 HD23 LEU 31 3HD2 LEU 31 1.815 9.227 -0.323 207 H VAL 32 H VAL 32 -0.308 9.445 -3.996 208 HA VAL 32 HA VAL 32 -2.689 7.903 -4.742 209 HB VAL 32 HB VAL 32 -2.885 9.347 -6.811 210 HG11 VAL 32 1HG1 VAL 32 -3.786 11.339 -5.178 211 HG12 VAL 32 2HG1 VAL 32 -4.668 9.857 -5.550 212 HG13 VAL 32 3HG1 VAL 32 -3.712 9.968 -4.072 213 HG21 VAL 32 1HG2 VAL 32 -1.249 10.825 -7.144 214 HG22 VAL 32 2HG2 VAL 32 -1.986 11.790 -5.865 215 HG23 VAL 32 3HG2 VAL 32 -0.674 10.675 -5.483 216 H ILE 33 H ILE 33 -2.372 6.429 -6.342 217 HA ILE 33 HA ILE 33 0.036 5.306 -6.860 218 HB ILE 33 HB ILE 33 -2.250 5.485 -8.827 219 HG12 ILE 33 1HG1 ILE 33 -1.635 3.197 -6.970 220 HG13 ILE 33 2HG1 ILE 33 -2.642 4.547 -6.455 221 HG21 ILE 33 1HG2 ILE 33 -0.481 3.131 -8.805 222 HG22 ILE 33 2HG2 ILE 33 -1.227 3.980 -10.157 223 HG23 ILE 33 3HG2 ILE 33 0.237 4.623 -9.413 224 HD11 ILE 33 1HD1 ILE 33 -3.572 3.616 -8.979 225 HD12 ILE 33 2HD1 ILE 33 -3.404 2.247 -7.880 226 HD13 ILE 33 3HD1 ILE 33 -4.399 3.628 -7.421 227 H THR 34 H THR 34 1.782 5.671 -8.098 228 HA THR 34 HA THR 34 1.710 8.012 -9.889 229 HB THR 34 HB THR 34 3.188 8.539 -8.110 230 HG1 THR 34 1HG THR 34 4.791 7.536 -10.246 231 HG21 THR 34 1HG2 THR 34 4.912 7.109 -7.273 232 HG22 THR 34 2HG2 THR 34 4.642 5.935 -8.561 233 HG23 THR 34 3HG2 THR 34 3.421 6.168 -7.311 234 H ARG 35 H ARG 35 2.058 4.669 -9.748 235 HA ARG 35 HA ARG 35 2.624 4.489 -12.544 236 HB2 ARG 35 1HB ARG 35 4.887 4.730 -11.122 237 HB3 ARG 35 2HB ARG 35 4.649 2.995 -10.970 238 HG2 ARG 35 1HG ARG 35 5.980 3.157 -12.844 239 HG3 ARG 35 2HG ARG 35 4.361 3.050 -13.539 240 HD2 ARG 35 1HD ARG 35 5.529 4.785 -14.686 241 HD3 ARG 35 2HD ARG 35 4.329 5.546 -13.642 242 HE ARG 35 HE ARG 35 6.028 6.510 -12.444 243 HH11 ARG 35 2HH1 ARG 35 7.328 3.988 -14.461 244 HH12 ARG 35 1HH1 ARG 35 8.979 4.399 -14.135 245 HH21 ARG 35 2HH2 ARG 35 8.198 7.061 -12.007 246 HH22 ARG 35 1HH2 ARG 35 9.473 6.147 -12.738 247 H ILE 36 H ILE 36 2.008 2.534 -13.395 248 HA ILE 36 HA ILE 36 1.222 0.429 -11.497 249 HB ILE 36 HB ILE 36 -0.446 1.585 -13.722 250 HG12 ILE 36 1HG1 ILE 36 -0.578 2.572 -11.422 251 HG13 ILE 36 2HG1 ILE 36 -2.100 1.905 -12.002 252 HG21 ILE 36 1HG2 ILE 36 -0.793 -0.643 -14.162 253 HG22 ILE 36 2HG2 ILE 36 -0.527 -1.127 -12.488 254 HG23 ILE 36 3HG2 ILE 36 -2.038 -0.343 -12.950 255 HD11 ILE 36 1HD1 ILE 36 -0.207 0.629 -10.044 256 HD12 ILE 36 2HD1 ILE 36 -1.790 1.325 -9.695 257 HD13 ILE 36 3HD1 ILE 36 -1.665 -0.131 -10.682 258 H THR 37 H THR 37 1.512 -1.656 -12.178 259 HA THR 37 HA THR 37 3.391 -2.103 -14.261 260 HB THR 37 HB THR 37 1.723 -4.083 -12.698 261 HG1 THR 37 1HG THR 37 3.542 -2.595 -11.779 262 HG21 THR 37 1HG2 THR 37 2.710 -4.811 -14.972 263 HG22 THR 37 2HG2 THR 37 3.026 -5.818 -13.559 264 HG23 THR 37 3HG2 THR 37 4.269 -4.717 -14.153 265 HA PRO 38 HA PRO 38 0.681 -2.527 -17.717 266 HB2 PRO 38 1HB PRO 38 2.352 -3.899 -19.358 267 HB3 PRO 38 2HB PRO 38 2.543 -2.176 -19.017 268 HG2 PRO 38 1HG PRO 38 3.980 -4.514 -17.822 269 HG3 PRO 38 2HG PRO 38 4.632 -2.953 -18.356 270 HD2 PRO 38 1HD PRO 38 4.141 -3.512 -15.753 271 HD3 PRO 38 2HD PRO 38 3.980 -1.877 -16.425 272 H GLY 39 H GLY 39 -0.936 -3.910 -18.081 273 HA2 GLY 39 1HA GLY 39 -2.194 -5.839 -17.716 274 HA3 GLY 39 2HA GLY 39 -0.989 -6.466 -18.831 275 H SER 40 H SER 40 -1.505 -5.854 -15.366 276 HA SER 40 HA SER 40 -0.550 -8.511 -14.743 277 HB2 SER 40 1HB SER 40 1.388 -7.989 -13.624 278 HB3 SER 40 2HB SER 40 1.420 -6.718 -14.846 279 HG SER 40 HG SER 40 0.280 -5.412 -13.222 280 H LYS 41 H LYS 41 -0.317 -8.485 -12.105 281 HA LYS 41 HA LYS 41 -2.894 -8.410 -11.120 282 HB2 LYS 41 1HB LYS 41 -0.375 -8.021 -9.495 283 HB3 LYS 41 2HB LYS 41 -1.923 -8.607 -8.901 284 HG2 LYS 41 1HG LYS 41 -1.718 -10.614 -10.225 285 HG3 LYS 41 2HG LYS 41 -0.223 -10.016 -10.949 286 HD2 LYS 41 1HD LYS 41 0.870 -10.054 -8.779 287 HD3 LYS 41 2HD LYS 41 -0.633 -10.570 -8.010 288 HE2 LYS 41 1HE LYS 41 -0.581 -12.611 -9.434 289 HE3 LYS 41 2HE LYS 41 1.000 -12.106 -10.028 290 HZ1 LYS 41 1HZ LYS 41 0.905 -13.750 -8.094 291 HZ2 LYS 41 2HZ LYS 41 0.493 -12.418 -7.137 292 HZ3 LYS 41 3HZ LYS 41 1.970 -12.442 -7.962 293 H ALA 42 H ALA 42 -0.768 -5.801 -11.687 294 HA ALA 42 HA ALA 42 -2.028 -4.001 -9.801 295 HB1 ALA 42 1HB ALA 42 -0.207 -3.104 -11.997 296 HB2 ALA 42 2HB ALA 42 -0.408 -2.450 -10.371 297 HB3 ALA 42 3HB ALA 42 0.437 -3.980 -10.608 298 H ALA 43 H ALA 43 -1.478 -3.632 -13.302 299 HA ALA 43 HA ALA 43 -3.570 -1.810 -13.692 300 HB1 ALA 43 1HB ALA 43 -1.736 -2.025 -15.266 301 HB2 ALA 43 2HB ALA 43 -2.264 -3.653 -15.690 302 HB3 ALA 43 3HB ALA 43 -3.278 -2.266 -16.087 303 H ALA 44 H ALA 44 -3.454 -5.328 -14.103 304 HA ALA 44 HA ALA 44 -5.974 -5.706 -15.234 305 HB1 ALA 44 1HB ALA 44 -4.250 -7.454 -15.076 306 HB2 ALA 44 2HB ALA 44 -4.536 -7.560 -13.339 307 HB3 ALA 44 3HB ALA 44 -5.814 -8.000 -14.470 308 H ALA 45 H ALA 45 -5.105 -4.767 -12.053 309 HA ALA 45 HA ALA 45 -7.657 -5.569 -10.901 310 HB1 ALA 45 1HB ALA 45 -5.057 -4.675 -9.856 311 HB2 ALA 45 2HB ALA 45 -6.468 -4.131 -8.948 312 HB3 ALA 45 3HB ALA 45 -6.199 -5.854 -9.211 313 H ASN 46 H ASN 46 -7.144 -3.365 -13.009 314 HA ASN 46 HA ASN 46 -8.135 -1.399 -13.582 315 HB2 ASN 46 1HB ASN 46 -9.728 -1.497 -11.029 316 HB3 ASN 46 2HB ASN 46 -10.183 -0.799 -12.580 317 HD21 ASN 46 1HD2 ASN 46 -10.209 -2.453 -14.410 318 HD22 ASN 46 2HD2 ASN 46 -10.974 -3.960 -14.052 319 H LEU 47 H LEU 47 -5.702 -1.371 -12.131 320 HA LEU 47 HA LEU 47 -5.944 0.920 -10.328 321 HB2 LEU 47 1HB LEU 47 -3.545 -0.785 -10.979 322 HB3 LEU 47 2HB LEU 47 -3.620 0.472 -9.746 323 HG LEU 47 HG LEU 47 -5.276 -2.048 -9.694 324 HD11 LEU 47 1HD1 LEU 47 -3.681 -3.120 -8.499 325 HD12 LEU 47 2HD1 LEU 47 -3.043 -1.633 -7.800 326 HD13 LEU 47 3HD1 LEU 47 -2.618 -2.084 -9.451 327 HD21 LEU 47 1HD2 LEU 47 -4.652 -0.352 -7.327 328 HD22 LEU 47 2HD2 LEU 47 -6.049 -1.381 -7.643 329 HD23 LEU 47 3HD2 LEU 47 -5.902 0.181 -8.450 330 H CYS 48 H CYS 48 -4.997 2.886 -10.713 331 HA CYS 48 HA CYS 48 -3.409 3.269 -13.121 332 HB2 CYS 48 1HB CYS 48 -6.179 4.303 -12.743 333 HB3 CYS 48 2HB CYS 48 -5.008 5.360 -13.522 334 HG CYS 48 HG CYS 48 -5.236 2.212 -14.722 335 HA PRO 49 HA PRO 49 -1.311 6.095 -10.479 336 HB2 PRO 49 1HB PRO 49 -0.016 7.561 -12.361 337 HB3 PRO 49 2HB PRO 49 0.455 5.911 -11.937 338 HG2 PRO 49 1HG PRO 49 -1.182 6.879 -14.249 339 HG3 PRO 49 2HG PRO 49 0.104 5.658 -14.222 340 HD2 PRO 49 1HD PRO 49 -2.525 5.006 -14.240 341 HD3 PRO 49 2HD PRO 49 -1.301 4.015 -13.420 342 H GLY 50 H GLY 50 -3.030 7.288 -9.593 343 HA2 GLY 50 1HA GLY 50 -3.104 9.979 -9.888 344 HA3 GLY 50 2HA GLY 50 -4.257 9.428 -11.094 345 H ASP 51 H ASP 51 -4.866 7.085 -9.246 346 HA ASP 51 HA ASP 51 -7.086 8.321 -7.935 347 HB2 ASP 51 1HB ASP 51 -6.067 5.544 -8.270 348 HB3 ASP 51 2HB ASP 51 -7.160 5.851 -6.923 349 H VAL 52 H VAL 52 -7.564 8.138 -5.645 350 HA VAL 52 HA VAL 52 -5.146 8.525 -4.024 351 HB VAL 52 HB VAL 52 -7.991 9.297 -3.362 352 HG11 VAL 52 1HG1 VAL 52 -5.357 9.908 -2.032 353 HG12 VAL 52 2HG1 VAL 52 -6.875 10.719 -1.644 354 HG13 VAL 52 3HG1 VAL 52 -6.704 8.986 -1.366 355 HG21 VAL 52 1HG2 VAL 52 -5.947 11.352 -3.942 356 HG22 VAL 52 2HG2 VAL 52 -6.564 10.442 -5.321 357 HG23 VAL 52 3HG2 VAL 52 -7.677 11.341 -4.289 358 H ILE 53 H ILE 53 -4.804 7.415 -2.127 359 HA ILE 53 HA ILE 53 -6.404 4.982 -1.801 360 HB ILE 53 HB ILE 53 -3.785 5.568 -0.439 361 HG12 ILE 53 1HG1 ILE 53 -3.763 5.719 -3.025 362 HG13 ILE 53 2HG1 ILE 53 -2.573 4.688 -2.237 363 HG21 ILE 53 1HG2 ILE 53 -4.259 3.636 0.554 364 HG22 ILE 53 2HG2 ILE 53 -5.647 3.363 -0.498 365 HG23 ILE 53 3HG2 ILE 53 -4.037 2.859 -1.013 366 HD11 ILE 53 1HD1 ILE 53 -3.374 2.847 -3.200 367 HD12 ILE 53 2HD1 ILE 53 -5.052 3.310 -2.911 368 HD13 ILE 53 3HD1 ILE 53 -4.186 3.955 -4.305 369 H LEU 54 H LEU 54 -8.151 5.733 -0.621 370 HA LEU 54 HA LEU 54 -8.106 7.463 1.548 371 HB2 LEU 54 1HB LEU 54 -9.935 5.177 0.867 372 HB3 LEU 54 2HB LEU 54 -10.211 6.228 2.255 373 HG LEU 54 HG LEU 54 -10.016 7.276 -0.560 374 HD11 LEU 54 1HD1 LEU 54 -12.116 5.706 0.619 375 HD12 LEU 54 2HD1 LEU 54 -11.978 6.350 -1.016 376 HD13 LEU 54 3HD1 LEU 54 -12.684 7.337 0.264 377 HD21 LEU 54 1HD2 LEU 54 -9.747 9.049 0.917 378 HD22 LEU 54 2HD2 LEU 54 -10.872 8.371 2.094 379 HD23 LEU 54 3HD2 LEU 54 -11.480 9.063 0.589 380 H ALA 55 H ALA 55 -7.576 3.979 1.431 381 HA ALA 55 HA ALA 55 -6.303 4.107 4.043 382 HB1 ALA 55 1HB ALA 55 -8.322 3.512 4.945 383 HB2 ALA 55 2HB ALA 55 -8.833 2.633 3.504 384 HB3 ALA 55 3HB ALA 55 -7.649 1.919 4.599 385 H ILE 56 H ILE 56 -4.934 2.310 4.485 386 HA ILE 56 HA ILE 56 -4.367 0.620 2.138 387 HB ILE 56 HB ILE 56 -2.363 1.868 4.021 388 HG12 ILE 56 1HG1 ILE 56 -2.766 2.236 1.045 389 HG13 ILE 56 2HG1 ILE 56 -3.295 3.375 2.279 390 HG21 ILE 56 1HG2 ILE 56 -0.854 0.356 3.405 391 HG22 ILE 56 2HG2 ILE 56 -2.175 -0.570 2.693 392 HG23 ILE 56 3HG2 ILE 56 -1.256 0.560 1.700 393 HD11 ILE 56 1HD1 ILE 56 -0.561 2.879 2.735 394 HD12 ILE 56 2HD1 ILE 56 -0.764 3.161 1.006 395 HD13 ILE 56 3HD1 ILE 56 -1.326 4.362 2.167 396 H ASP 57 H ASP 57 -4.854 -1.413 2.608 397 HA ASP 57 HA ASP 57 -5.133 -3.373 3.733 398 HB2 ASP 57 1HB ASP 57 -2.618 -3.126 3.736 399 HB3 ASP 57 2HB ASP 57 -2.756 -2.484 5.371 400 H GLY 58 H GLY 58 -6.768 -1.324 4.645 401 HA2 GLY 58 1HA GLY 58 -8.273 -1.024 6.367 402 HA3 GLY 58 2HA GLY 58 -7.469 -2.326 7.230 403 H PHE 59 H PHE 59 -5.880 0.584 6.064 404 HA PHE 59 HA PHE 59 -5.753 1.625 8.800 405 HB2 PHE 59 1HB PHE 59 -3.381 1.061 7.017 406 HB3 PHE 59 2HB PHE 59 -3.300 2.106 8.432 407 HD1 PHE 59 2HD PHE 59 -3.796 1.131 10.690 408 HD2 PHE 59 1HD PHE 59 -3.260 -1.271 7.218 409 HE1 PHE 59 2HE PHE 59 -3.386 -0.831 12.115 410 HE2 PHE 59 1HE PHE 59 -2.849 -3.238 8.638 411 HZ PHE 59 HZ PHE 59 -2.910 -3.019 11.090 412 H GLY 60 H GLY 60 -6.723 3.543 8.598 413 HA2 GLY 60 1HA GLY 60 -7.036 5.064 6.315 414 HA3 GLY 60 2HA GLY 60 -7.068 5.719 7.945 415 H THR 61 H THR 61 -5.919 6.620 5.259 416 HA THR 61 HA THR 61 -3.097 6.902 5.968 417 HB THR 61 HB THR 61 -2.755 7.774 3.739 418 HG1 THR 61 1HG THR 61 -4.762 7.735 2.347 419 HG21 THR 61 1HG2 THR 61 -2.683 5.666 3.026 420 HG22 THR 61 2HG2 THR 61 -4.419 5.709 2.719 421 HG23 THR 61 3HG2 THR 61 -3.814 5.193 4.293 422 H GLU 62 H GLU 62 -5.287 8.302 7.402 423 HA GLU 62 HA GLU 62 -5.460 10.997 6.695 424 HB2 GLU 62 1HB GLU 62 -5.981 11.366 9.127 425 HB3 GLU 62 2HB GLU 62 -6.960 10.138 8.338 426 HG2 GLU 62 1HG GLU 62 -6.465 9.036 10.253 427 HG3 GLU 62 2HG GLU 62 -5.081 8.541 9.279 428 H SER 63 H SER 63 -3.278 9.459 9.060 429 HA SER 63 HA SER 63 -1.475 11.770 8.748 430 HB2 SER 63 1HB SER 63 -2.325 10.228 11.150 431 HB3 SER 63 2HB SER 63 -0.655 10.794 11.098 432 HG SER 63 HG SER 63 -2.820 12.522 10.549 433 H MET 64 H MET 64 -1.529 9.378 7.108 434 HA MET 64 HA MET 64 0.817 7.868 7.944 435 HB2 MET 64 1HB MET 64 -0.678 6.376 7.035 436 HB3 MET 64 2HB MET 64 -1.293 7.538 5.867 437 HG2 MET 64 1HG MET 64 0.710 7.289 4.526 438 HG3 MET 64 2HG MET 64 1.386 6.179 5.715 439 HE1 MET 64 1HE MET 64 -1.634 4.739 6.370 440 HE2 MET 64 2HE MET 64 -1.310 3.255 5.474 441 HE3 MET 64 3HE MET 64 -0.047 3.975 6.473 442 H THR 65 H THR 65 2.774 8.584 7.456 443 HA THR 65 HA THR 65 3.202 10.613 5.473 444 HB THR 65 HB THR 65 5.630 10.300 6.053 445 HG1 THR 65 1HG THR 65 6.165 8.856 7.645 446 HG21 THR 65 1HG2 THR 65 4.310 10.588 8.675 447 HG22 THR 65 2HG2 THR 65 3.695 11.632 7.393 448 HG23 THR 65 3HG2 THR 65 5.403 11.682 7.828 449 H HIS 66 H HIS 66 4.692 10.433 3.684 450 HA HIS 66 HA HIS 66 4.135 8.526 1.837 451 HB2 HIS 66 1HB HIS 66 5.486 10.631 1.493 452 HB3 HIS 66 2HB HIS 66 6.882 9.752 2.110 453 HD1 HIS 66 1HD HIS 66 4.293 9.263 -0.644 454 HD2 HIS 66 2HD HIS 66 8.324 8.618 0.132 455 HE1 HIS 66 1HE HIS 66 5.247 8.324 -2.774 456 HE2 HIS 66 2HE HIS 66 7.667 7.862 -2.253 457 H ALA 67 H ALA 67 6.925 8.439 4.049 458 HA ALA 67 HA ALA 67 7.914 5.946 3.229 459 HB1 ALA 67 1HB ALA 67 8.277 6.648 6.067 460 HB2 ALA 67 2HB ALA 67 9.469 6.225 4.838 461 HB3 ALA 67 3HB ALA 67 8.808 7.859 4.899 462 H ASP 68 H ASP 68 5.851 6.765 6.018 463 HA ASP 68 HA ASP 68 5.486 4.301 7.132 464 HB2 ASP 68 1HB ASP 68 4.423 6.682 7.647 465 HB3 ASP 68 2HB ASP 68 3.048 5.986 6.792 466 H ALA 69 H ALA 69 3.610 5.662 4.433 467 HA ALA 69 HA ALA 69 1.857 3.555 4.022 468 HB1 ALA 69 1HB ALA 69 2.235 5.932 2.828 469 HB2 ALA 69 2HB ALA 69 2.888 4.862 1.587 470 HB3 ALA 69 3HB ALA 69 1.230 4.650 2.151 471 H GLN 70 H GLN 70 5.071 4.061 2.581 472 HA GLN 70 HA GLN 70 5.127 1.776 0.981 473 HB2 GLN 70 1HB GLN 70 7.578 2.856 2.347 474 HB3 GLN 70 2HB GLN 70 7.440 2.139 0.747 475 HG2 GLN 70 1HG GLN 70 5.847 4.235 0.379 476 HG3 GLN 70 2HG GLN 70 6.874 4.898 1.650 477 HE21 GLN 70 1HE2 GLN 70 6.567 4.270 -1.641 478 HE22 GLN 70 2HE2 GLN 70 8.182 4.652 -2.123 479 H ASP 71 H ASP 71 5.897 2.217 4.384 480 HA ASP 71 HA ASP 71 6.973 -0.407 4.747 481 HB2 ASP 71 1HB ASP 71 7.230 1.796 6.193 482 HB3 ASP 71 2HB ASP 71 5.824 1.141 7.028 483 H ARG 72 H ARG 72 3.849 0.766 4.335 484 HA ARG 72 HA ARG 72 2.594 -1.347 5.911 485 HB2 ARG 72 1HB ARG 72 1.603 1.109 4.513 486 HB3 ARG 72 2HB ARG 72 0.477 -0.191 4.882 487 HG2 ARG 72 1HG ARG 72 2.226 0.793 7.068 488 HG3 ARG 72 2HG ARG 72 0.890 1.819 6.541 489 HD2 ARG 72 1HD ARG 72 -0.607 -0.190 6.822 490 HD3 ARG 72 2HD ARG 72 0.754 -0.995 7.601 491 HE ARG 72 HE ARG 72 -0.921 1.052 8.722 492 HH11 ARG 72 2HH1 ARG 72 2.204 -0.477 8.850 493 HH12 ARG 72 1HH1 ARG 72 2.500 -0.029 10.497 494 HH21 ARG 72 2HH2 ARG 72 -0.543 1.648 10.891 495 HH22 ARG 72 1HH2 ARG 72 0.937 1.179 11.658 496 H ILE 73 H ILE 73 3.131 -0.381 2.580 497 HA ILE 73 HA ILE 73 1.440 -2.402 1.454 498 HB ILE 73 HB ILE 73 3.583 -0.678 0.213 499 HG12 ILE 73 1HG1 ILE 73 0.604 -0.551 -0.222 500 HG13 ILE 73 2HG1 ILE 73 1.386 0.327 1.087 501 HG21 ILE 73 1HG2 ILE 73 3.266 -2.868 -0.951 502 HG22 ILE 73 2HG2 ILE 73 1.587 -2.410 -1.230 503 HG23 ILE 73 3HG2 ILE 73 2.890 -1.454 -1.935 504 HD11 ILE 73 1HD1 ILE 73 2.784 1.490 -0.571 505 HD12 ILE 73 2HD1 ILE 73 1.909 0.656 -1.856 506 HD13 ILE 73 3HD1 ILE 73 1.059 1.781 -0.797 507 H LYS 74 H LYS 74 4.876 -2.092 2.158 508 HA LYS 74 HA LYS 74 5.638 -4.507 0.839 509 HB2 LYS 74 1HB LYS 74 7.799 -4.124 1.692 510 HB3 LYS 74 2HB LYS 74 7.135 -2.519 1.416 511 HG2 LYS 74 1HG LYS 74 6.821 -2.129 3.700 512 HG3 LYS 74 2HG LYS 74 6.987 -3.840 4.103 513 HD2 LYS 74 1HD LYS 74 9.368 -3.676 3.273 514 HD3 LYS 74 2HD LYS 74 9.139 -1.926 3.221 515 HE2 LYS 74 1HE LYS 74 10.212 -2.626 5.303 516 HE3 LYS 74 2HE LYS 74 8.629 -1.911 5.604 517 HZ1 LYS 74 1HZ LYS 74 9.561 -4.460 6.326 518 HZ2 LYS 74 2HZ LYS 74 8.263 -4.651 5.258 519 HZ3 LYS 74 3HZ LYS 74 8.067 -3.747 6.675 520 H ALA 75 H ALA 75 4.576 -3.670 4.063 521 HA ALA 75 HA ALA 75 5.155 -6.353 5.055 522 HB1 ALA 75 1HB ALA 75 4.511 -5.503 7.232 523 HB2 ALA 75 2HB ALA 75 5.681 -4.419 6.478 524 HB3 ALA 75 3HB ALA 75 3.970 -3.989 6.505 525 H ALA 76 H ALA 76 2.960 -5.467 3.063 526 HA ALA 76 HA ALA 76 0.455 -5.878 4.285 527 HB1 ALA 76 1HB ALA 76 1.489 -5.794 1.522 528 HB2 ALA 76 2HB ALA 76 -0.031 -6.657 1.762 529 HB3 ALA 76 3HB ALA 76 0.110 -4.967 2.247 530 H SER 77 H SER 77 -0.927 -7.808 3.134 531 HA SER 77 HA SER 77 0.458 -10.280 3.943 532 HB2 SER 77 1HB SER 77 -1.612 -9.411 5.252 533 HB3 SER 77 2HB SER 77 -2.535 -9.994 3.868 534 HG SER 77 HG SER 77 -2.439 -11.688 5.253 535 H TYR 78 H TYR 78 -0.847 -12.260 2.944 536 HA TYR 78 HA TYR 78 -0.156 -12.624 0.376 537 HB2 TYR 78 1HB TYR 78 -2.261 -14.153 0.228 538 HB3 TYR 78 2HB TYR 78 -1.010 -14.524 1.410 539 HD1 TYR 78 2HD TYR 78 -4.405 -13.184 0.949 540 HD2 TYR 78 1HD TYR 78 -1.437 -14.349 3.767 541 HE1 TYR 78 2HE TYR 78 -6.088 -13.114 2.742 542 HE2 TYR 78 1HE TYR 78 -3.112 -14.283 5.567 543 HH TYR 78 HH TYR 78 -5.736 -14.534 5.649 544 H GLN 79 H GLN 79 -2.829 -10.711 1.488 545 HA GLN 79 HA GLN 79 -3.345 -9.892 -1.280 546 HB2 GLN 79 1HB GLN 79 -5.767 -9.857 -0.855 547 HB3 GLN 79 2HB GLN 79 -5.103 -11.480 -0.718 548 HG2 GLN 79 1HG GLN 79 -5.059 -11.201 1.742 549 HG3 GLN 79 2HG GLN 79 -5.857 -9.642 1.541 550 HE21 GLN 79 1HE2 GLN 79 -8.000 -9.599 1.477 551 HE22 GLN 79 2HE2 GLN 79 -9.028 -10.979 1.320 552 H LEU 80 H LEU 80 -3.096 -7.773 -1.460 553 HA LEU 80 HA LEU 80 -3.147 -6.106 0.925 554 HB2 LEU 80 1HB LEU 80 -1.269 -5.806 -0.523 555 HB3 LEU 80 2HB LEU 80 -2.319 -5.583 -1.921 556 HG LEU 80 HG LEU 80 -3.135 -3.464 -0.868 557 HD11 LEU 80 1HD1 LEU 80 -0.879 -3.013 0.820 558 HD12 LEU 80 2HD1 LEU 80 -1.722 -4.467 1.355 559 HD13 LEU 80 3HD1 LEU 80 -2.597 -2.942 1.216 560 HD21 LEU 80 1HD2 LEU 80 -1.591 -3.172 -2.591 561 HD22 LEU 80 2HD2 LEU 80 -0.265 -3.854 -1.649 562 HD23 LEU 80 3HD2 LEU 80 -0.901 -2.258 -1.250 563 H CYS 81 H CYS 81 -4.993 -5.205 1.533 564 HA CYS 81 HA CYS 81 -7.055 -4.651 -0.469 565 HB2 CYS 81 1HB CYS 81 -7.056 -5.095 2.482 566 HB3 CYS 81 2HB CYS 81 -8.335 -4.103 1.791 567 HG CYS 81 HG CYS 81 -7.821 -7.422 1.532 568 H LEU 82 H LEU 82 -7.317 -2.667 -1.230 569 HA LEU 82 HA LEU 82 -6.628 -0.381 0.483 570 HB2 LEU 82 1HB LEU 82 -5.938 -0.652 -2.439 571 HB3 LEU 82 2HB LEU 82 -5.666 0.777 -1.444 572 HG LEU 82 HG LEU 82 -4.404 -1.781 -0.597 573 HD11 LEU 82 1HD1 LEU 82 -3.470 -2.058 -2.615 574 HD12 LEU 82 2HD1 LEU 82 -2.459 -0.691 -2.150 575 HD13 LEU 82 3HD1 LEU 82 -3.891 -0.430 -3.147 576 HD21 LEU 82 1HD2 LEU 82 -2.758 0.571 -0.606 577 HD22 LEU 82 2HD2 LEU 82 -3.300 -0.410 0.755 578 HD23 LEU 82 3HD2 LEU 82 -4.306 0.914 0.166 579 H LYS 83 H LYS 83 -7.864 1.473 0.186 580 HA LYS 83 HA LYS 83 -10.276 1.096 -1.464 581 HB2 LYS 83 1HB LYS 83 -10.893 1.164 0.844 582 HB3 LYS 83 2HB LYS 83 -9.871 2.565 1.141 583 HG2 LYS 83 1HG LYS 83 -11.328 3.995 -0.060 584 HG3 LYS 83 2HG LYS 83 -12.244 2.630 -0.703 585 HD2 LYS 83 1HD LYS 83 -12.068 2.892 2.247 586 HD3 LYS 83 2HD LYS 83 -13.079 4.055 1.386 587 HE2 LYS 83 1HE LYS 83 -14.273 2.179 0.319 588 HE3 LYS 83 2HE LYS 83 -13.294 1.048 1.251 589 HZ1 LYS 83 1HZ LYS 83 -15.415 1.380 2.310 590 HZ2 LYS 83 2HZ LYS 83 -15.182 3.055 2.358 591 HZ3 LYS 83 3HZ LYS 83 -14.198 2.037 3.284 592 H ILE 84 H ILE 84 -11.075 2.837 -2.662 593 HA ILE 84 HA ILE 84 -9.203 5.091 -2.989 594 HB ILE 84 HB ILE 84 -10.050 5.171 -5.384 595 HG12 ILE 84 1HG1 ILE 84 -10.716 2.268 -4.994 596 HG13 ILE 84 2HG1 ILE 84 -11.946 3.502 -4.746 597 HG21 ILE 84 1HG2 ILE 84 -8.649 2.731 -5.570 598 HG22 ILE 84 2HG2 ILE 84 -8.013 4.367 -5.731 599 HG23 ILE 84 3HG2 ILE 84 -8.027 3.578 -4.154 600 HD11 ILE 84 1HD1 ILE 84 -10.954 2.369 -7.190 601 HD12 ILE 84 2HD1 ILE 84 -12.357 3.403 -6.915 602 HD13 ILE 84 3HD1 ILE 84 -10.772 4.123 -7.194 603 H ASP 85 H ASP 85 -10.100 7.121 -3.512 604 HA ASP 85 HA ASP 85 -12.810 7.473 -2.500 605 HB2 ASP 85 1HB ASP 85 -10.971 8.906 -1.650 606 HB3 ASP 85 2HB ASP 85 -10.756 9.557 -3.273 607 H ARG 86 H ARG 86 -11.023 7.640 -5.473 608 HA ARG 86 HA ARG 86 -11.614 8.098 -7.624 609 HB2 ARG 86 1HB ARG 86 -14.044 6.896 -6.399 610 HB3 ARG 86 2HB ARG 86 -14.225 7.650 -7.978 611 HG2 ARG 86 1HG ARG 86 -12.110 5.596 -7.417 612 HG3 ARG 86 2HG ARG 86 -13.740 5.165 -7.936 613 HD2 ARG 86 1HD ARG 86 -12.263 7.215 -9.501 614 HD3 ARG 86 2HD ARG 86 -11.770 5.530 -9.667 615 HE ARG 86 HE ARG 86 -14.452 5.426 -10.001 616 HH11 ARG 86 2HH1 ARG 86 -11.930 7.333 -11.458 617 HH12 ARG 86 1HH1 ARG 86 -12.746 7.488 -12.979 618 HH21 ARG 86 2HH2 ARG 86 -15.537 5.624 -11.998 619 HH22 ARG 86 1HH2 ARG 86 -14.798 6.517 -13.284 620 H ALA 87 H ALA 87 -11.286 10.388 -6.372 621 HA ALA 87 HA ALA 87 -13.287 12.188 -5.951 622 HB1 ALA 87 1HB ALA 87 -10.487 12.336 -6.655 623 HB2 ALA 87 2HB ALA 87 -11.402 13.679 -7.343 624 HB3 ALA 87 3HB ALA 87 -11.443 13.382 -5.605 625 H GLU 88 H GLU 88 -15.077 12.319 -7.175 626 HA GLU 88 HA GLU 88 -15.385 11.834 -9.857 627 HB2 GLU 88 1HB GLU 88 -17.401 13.277 -9.746 628 HB3 GLU 88 2HB GLU 88 -17.296 12.135 -8.414 629 HG2 GLU 88 1HG GLU 88 -16.513 13.880 -6.934 630 HG3 GLU 88 2HG GLU 88 -16.511 15.036 -8.265 631 H THR 89 H THR 89 -14.409 14.844 -8.296 632 HA THR 89 HA THR 89 -14.539 16.603 -10.417 633 HB THR 89 HB THR 89 -12.226 16.613 -8.486 634 HG1 THR 89 1HG THR 89 -14.966 17.128 -8.036 635 HG21 THR 89 1HG2 THR 89 -12.609 18.298 -10.457 636 HG22 THR 89 2HG2 THR 89 -12.112 18.887 -8.871 637 HG23 THR 89 3HG2 THR 89 -13.802 18.995 -9.362 638 H ARG 90 H ARG 90 -12.280 14.019 -9.852 639 HA ARG 90 HA ARG 90 -10.179 14.812 -11.514 640 HB2 ARG 90 1HB ARG 90 -11.204 12.045 -10.863 641 HB3 ARG 90 2HB ARG 90 -9.687 12.364 -11.693 642 HG2 ARG 90 1HG ARG 90 -10.273 13.537 -8.999 643 HG3 ARG 90 2HG ARG 90 -9.611 11.912 -9.182 644 HD2 ARG 90 1HD ARG 90 -7.632 12.701 -10.141 645 HD3 ARG 90 2HD ARG 90 -8.339 14.269 -10.528 646 HE ARG 90 HE ARG 90 -7.901 14.976 -8.378 647 HH11 ARG 90 2HH1 ARG 90 -7.335 11.552 -8.650 648 HH12 ARG 90 1HH1 ARG 90 -6.546 11.428 -7.112 649 HH21 ARG 90 2HH2 ARG 90 -6.865 14.826 -6.352 650 HH22 ARG 90 1HH2 ARG 90 -6.280 13.291 -5.805 651 H LEU 91 H LEU 91 -13.330 13.582 -12.264 652 HA LEU 91 HA LEU 91 -12.897 14.095 -15.072 653 HB2 LEU 91 1HB LEU 91 -13.137 11.358 -13.960 654 HB3 LEU 91 2HB LEU 91 -14.026 11.707 -15.441 655 HG LEU 91 HG LEU 91 -11.081 12.247 -15.211 656 HD11 LEU 91 1HD1 LEU 91 -11.325 9.920 -16.656 657 HD12 LEU 91 2HD1 LEU 91 -12.431 9.674 -15.305 658 HD13 LEU 91 3HD1 LEU 91 -10.736 10.056 -14.999 659 HD21 LEU 91 1HD2 LEU 91 -11.112 12.421 -17.513 660 HD22 LEU 91 2HD2 LEU 91 -12.663 13.137 -17.072 661 HD23 LEU 91 3HD2 LEU 91 -12.594 11.478 -17.671 662 H TRP 92 H TRP 92 -14.711 14.823 -16.016 663 HA TRP 92 HA TRP 92 -16.943 15.567 -14.586 664 HB2 TRP 92 1HB TRP 92 -16.224 16.317 -16.918 665 HB3 TRP 92 2HB TRP 92 -17.050 14.882 -17.521 666 HD1 TRP 92 HD TRP 92 -19.595 15.092 -15.526 667 HE1 TRP 92 1HE TRP 92 -21.369 16.896 -16.001 668 HE3 TRP 92 3HE TRP 92 -16.788 18.257 -18.396 669 HZ2 TRP 92 2HZ TRP 92 -21.554 19.336 -17.407 670 HZ3 TRP 92 3HZ TRP 92 -17.839 20.304 -19.268 671 HH2 TRP 92 HH TRP 92 -20.173 20.830 -18.783 672 H SER 93 H SER 93 -17.784 13.949 -13.298 673 HA SER 93 HA SER 93 -19.661 12.189 -14.578 674 HB2 SER 93 1HB SER 93 -18.778 10.099 -13.888 675 HB3 SER 93 2HB SER 93 -17.419 10.957 -14.615 676 HG SER 93 HG SER 93 -16.502 11.175 -12.694 677 HA PRO 94 HA PRO 94 -21.708 13.200 -10.794 678 HB2 PRO 94 1HB PRO 94 -23.823 11.521 -11.075 679 HB3 PRO 94 2HB PRO 94 -23.659 13.022 -11.993 680 HG2 PRO 94 1HG PRO 94 -23.044 10.215 -12.830 681 HG3 PRO 94 2HG PRO 94 -23.860 11.500 -13.739 682 HD2 PRO 94 1HD PRO 94 -21.258 10.865 -14.132 683 HD3 PRO 94 2HD PRO 94 -21.877 12.517 -14.326 684 H GLN 95 H GLN 95 -20.356 10.172 -11.569 685 HA GLN 95 HA GLN 95 -21.196 8.750 -9.229 686 HB2 GLN 95 1HB GLN 95 -20.266 7.886 -11.552 687 HB3 GLN 95 2HB GLN 95 -18.721 8.000 -10.719 688 HG2 GLN 95 1HG GLN 95 -19.559 5.766 -10.527 689 HG3 GLN 95 2HG GLN 95 -19.608 6.538 -8.943 690 HE21 GLN 95 1HE2 GLN 95 -21.573 5.699 -11.744 691 HE22 GLN 95 2HE2 GLN 95 -23.064 5.557 -10.883 692 H VAL 96 H VAL 96 -20.023 8.296 -7.370 693 HA VAL 96 HA VAL 96 -17.374 9.177 -6.905 694 HB VAL 96 HB VAL 96 -18.482 11.393 -6.925 695 HG11 VAL 96 1HG1 VAL 96 -20.674 10.685 -6.095 696 HG12 VAL 96 2HG1 VAL 96 -19.966 10.352 -4.513 697 HG13 VAL 96 3HG1 VAL 96 -20.012 12.004 -5.131 698 HG21 VAL 96 1HG2 VAL 96 -17.020 10.269 -4.628 699 HG22 VAL 96 2HG2 VAL 96 -16.630 11.646 -5.658 700 HG23 VAL 96 3HG2 VAL 96 -17.800 11.826 -4.351 701 H SER 97 H SER 97 -16.552 8.140 -5.177 702 HA SER 97 HA SER 97 -18.414 6.567 -3.554 703 HB2 SER 97 1HB SER 97 -15.405 6.306 -3.738 704 HB3 SER 97 2HB SER 97 -16.527 5.157 -3.010 705 HG SER 97 HG SER 97 -17.463 4.962 -5.154 706 H SER 98 H SER 98 -19.071 7.658 -1.808 707 HA SER 98 HA SER 98 -17.008 8.741 -0.023 708 HB2 SER 98 1HB SER 98 -17.923 10.679 -1.151 709 HB3 SER 98 2HB SER 98 -19.570 10.144 -0.818 710 HG SER 98 HG SER 98 -18.211 11.746 0.648 711 H GLY 99 H GLY 99 -17.665 8.885 2.216 712 HA2 GLY 99 1HA GLY 99 -19.919 7.083 2.854 713 HA3 GLY 99 2HA GLY 99 -18.388 7.021 3.714 714 HA PRO 100 HA PRO 100 -20.403 9.618 6.676 715 HB2 PRO 100 1HB PRO 100 -18.226 10.087 8.229 716 HB3 PRO 100 2HB PRO 100 -19.108 8.555 8.249 717 HG2 PRO 100 1HG PRO 100 -16.571 9.262 6.827 718 HG3 PRO 100 2HG PRO 100 -16.976 7.789 7.727 719 HD2 PRO 100 1HD PRO 100 -17.062 7.914 5.024 720 HD3 PRO 100 2HD PRO 100 -18.163 6.889 5.968 721 H SER 101 H SER 101 -17.698 10.520 4.710 722 HA SER 101 HA SER 101 -17.720 13.289 5.561 723 HB2 SER 101 1HB SER 101 -16.189 11.844 3.389 724 HB3 SER 101 2HB SER 101 -16.009 13.563 3.740 725 HG SER 101 HG SER 101 -14.450 12.554 4.909 726 H SER 102 H SER 102 -18.723 14.944 4.575 727 HA SER 102 HA SER 102 -19.983 14.468 1.963 728 HB2 SER 102 1HB SER 102 -21.684 14.184 3.742 729 HB3 SER 102 2HB SER 102 -21.335 15.816 4.314 730 HG SER 102 HG SER 102 -21.804 16.242 1.872 731 H GLY 103 H GLY 103 -18.300 15.702 1.031 732 HA2 GLY 103 1HA GLY 103 -17.198 17.620 0.386 733 HA3 GLY 103 2HA GLY 103 -18.802 18.331 0.483
Contact the webmaster for help, if required. Monday, May 13, 2024 4:27:03 AM GMT (wattos1)