NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
595650 | 2myw | 25460 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 7 HT1 SER 7 -1.376 -5.854 12.675 2 HA SER 7 HA SER 7 -1.311 -4.457 14.639 3 HB2 SER 7 HB2 SER 7 -3.540 -3.653 15.511 4 HB3 SER 7 HB1 SER 7 -2.973 -2.840 14.044 5 HG SER 7 HG SER 7 -5.170 -3.442 13.930 6 H GLY 8 HN GLY 8 -2.001 -7.391 13.694 7 HA2 GLY 8 HA2 GLY 8 -2.338 -9.351 14.807 8 HA3 GLY 8 HA1 GLY 8 -2.412 -8.435 16.312 9 H ARG 9 HN ARG 9 -4.285 -9.238 17.228 10 HA ARG 9 HA ARG 9 -6.608 -9.191 15.510 11 HB2 ARG 9 HB2 ARG 9 -6.141 -10.567 18.112 12 HB3 ARG 9 HB1 ARG 9 -7.761 -10.359 17.469 13 HG2 ARG 9 HG2 ARG 9 -7.086 -11.547 15.428 14 HG3 ARG 9 HG1 ARG 9 -5.489 -11.808 16.132 15 HD2 ARG 9 HD2 ARG 9 -6.390 -13.160 17.868 16 HD3 ARG 9 HD1 ARG 9 -8.042 -12.728 17.434 17 HE ARG 9 HE ARG 9 -7.226 -13.824 15.190 18 HH11 ARG 9 HH11 ARG 9 -6.783 -14.995 18.518 19 HH12 ARG 9 HH12 ARG 9 -6.902 -16.632 18.092 20 HH21 ARG 9 HH21 ARG 9 -7.408 -16.093 14.639 21 HH22 ARG 9 HH22 ARG 9 -7.303 -17.282 15.851 22 H GLU 10 HN GLU 10 -6.513 -6.981 15.521 23 HA GLU 10 HA GLU 10 -7.913 -5.794 17.777 24 HB2 GLU 10 HB2 GLU 10 -6.359 -4.606 15.506 25 HB3 GLU 10 HB1 GLU 10 -7.487 -3.633 16.446 26 HG2 GLU 10 HG2 GLU 10 -5.250 -5.208 17.682 27 HG3 GLU 10 HG1 GLU 10 -5.104 -3.528 17.172 28 H ASN 11 HN ASN 11 -10.010 -5.906 17.586 29 HA ASN 11 HA ASN 11 -11.101 -6.496 14.991 30 HB2 ASN 11 HB2 ASN 11 -12.374 -6.737 17.718 31 HB3 ASN 11 HB1 ASN 11 -13.226 -7.061 16.214 32 HD21 ASN 11 HD21 ASN 11 -10.786 -8.196 18.436 33 HD22 ASN 11 HD22 ASN 11 -10.652 -9.772 17.761 34 H LEU 12 HN LEU 12 -10.707 -4.461 14.287 35 HA LEU 12 HA LEU 12 -12.452 -2.276 15.071 36 HB2 LEU 12 HB2 LEU 12 -10.219 -1.883 14.044 37 HB3 LEU 12 HB1 LEU 12 -10.812 -2.619 12.570 38 HG LEU 12 HG LEU 12 -12.626 -0.876 12.589 39 HD11 LEU 12 HD11 LEU 12 -12.147 1.237 13.733 40 HD12 LEU 12 HD12 LEU 12 -10.814 0.454 14.580 41 HD13 LEU 12 HD13 LEU 12 -12.466 -0.098 14.838 42 HD21 LEU 12 HD21 LEU 12 -11.177 0.834 11.539 43 HD22 LEU 12 HD22 LEU 12 -10.832 -0.806 10.990 44 HD23 LEU 12 HD23 LEU 12 -9.772 -0.030 12.165 45 H TYR 13 HN TYR 13 -14.418 -1.823 14.184 46 HA TYR 13 HA TYR 13 -15.432 -3.789 12.353 47 HB2 TYR 13 HB2 TYR 13 -16.814 -1.327 13.454 48 HB3 TYR 13 HB1 TYR 13 -17.578 -2.698 12.655 49 HD1 TYR 13 HD2 TYR 13 -16.266 -4.977 13.970 50 HD2 TYR 13 HD1 TYR 13 -17.672 -1.316 15.615 51 HE1 TYR 13 HE2 TYR 13 -16.532 -6.067 16.148 52 HE2 TYR 13 HE1 TYR 13 -17.936 -2.398 17.801 53 HH TYR 13 HH TYR 13 -16.561 -5.339 18.551 54 H PHE 14 HN PHE 14 -14.947 -3.582 10.361 55 HA PHE 14 HA PHE 14 -13.752 -1.268 9.282 56 HB2 PHE 14 HB2 PHE 14 -14.825 -3.699 7.838 57 HB3 PHE 14 HB1 PHE 14 -13.776 -2.473 7.144 58 HD1 PHE 14 HD2 PHE 14 -11.472 -2.168 8.201 59 HD2 PHE 14 HD1 PHE 14 -13.949 -5.550 8.908 60 HE1 PHE 14 HE2 PHE 14 -9.505 -3.454 8.929 61 HE2 PHE 14 HE1 PHE 14 -11.988 -6.842 9.638 62 HZ PHE 14 HZ PHE 14 -9.762 -5.790 9.643 63 H GLN 15 HN GLN 15 -14.528 0.297 8.065 64 HA GLN 15 HA GLN 15 -17.066 0.236 6.837 65 HB2 GLN 15 HB2 GLN 15 -17.730 0.717 9.185 66 HB3 GLN 15 HB1 GLN 15 -16.649 2.099 9.192 67 HG2 GLN 15 HG2 GLN 15 -17.966 3.090 7.348 68 HG3 GLN 15 HG1 GLN 15 -19.089 1.739 7.470 69 HE21 GLN 15 HE21 GLN 15 -20.439 1.609 9.260 70 HE22 GLN 15 HE22 GLN 15 -20.693 2.972 10.288 71 H GLY 16 HN GLY 16 -16.360 1.041 5.022 72 HA2 GLY 16 HA2 GLY 16 -14.259 2.997 4.903 73 HA3 GLY 16 HA1 GLY 16 -15.148 2.338 3.533 74 H HIS 17 HN HIS 17 -15.499 4.496 6.290 75 HA HIS 17 HA HIS 17 -17.744 5.712 5.059 76 HB2 HIS 17 HB2 HIS 17 -17.663 7.311 7.050 77 HB3 HIS 17 HB1 HIS 17 -18.054 5.630 7.370 78 HD1 HIS 17 HD1 HIS 17 -16.888 4.760 9.403 79 HD2 HIS 17 HD2 HIS 17 -14.772 7.860 7.626 80 HE1 HIS 17 HE1 HIS 17 -14.891 5.185 10.882 81 H MET 18 HN MET 18 -16.987 6.376 3.184 82 HA MET 18 HA MET 18 -16.431 9.146 3.099 83 HB2 MET 18 HB2 MET 18 -14.103 7.599 3.140 84 HB3 MET 18 HB1 MET 18 -14.430 7.778 1.423 85 HG2 MET 18 HG2 MET 18 -14.106 10.028 3.402 86 HG3 MET 18 HG1 MET 18 -12.933 9.514 2.202 87 HE1 MET 18 HE1 MET 18 -14.151 12.521 2.687 88 HE2 MET 18 HE2 MET 18 -14.303 13.069 1.018 89 HE3 MET 18 HE3 MET 18 -12.864 12.193 1.525 90 H ALA 19 HN ALA 19 -16.747 9.842 0.818 91 HA ALA 19 HA ALA 19 -17.841 7.771 -0.860 92 HB1 ALA 19 HB1 ALA 19 -19.884 9.085 -1.260 93 HB2 ALA 19 HB2 ALA 19 -19.338 10.273 -0.073 94 HB3 ALA 19 HB3 ALA 19 -19.718 8.631 0.436 95 H ALA 20 HN ALA 20 -15.477 9.303 -0.841 96 HA ALA 20 HA ALA 20 -14.030 10.260 -2.213 97 HB1 ALA 20 HB1 ALA 20 -14.476 10.565 -4.593 98 HB2 ALA 20 HB2 ALA 20 -16.205 10.345 -4.316 99 HB3 ALA 20 HB3 ALA 20 -15.096 9.001 -4.052 100 HA PRO 21 HA PRO 21 -14.806 14.553 -1.384 101 HB2 PRO 21 HB2 PRO 21 -12.357 15.516 -2.042 102 HB3 PRO 21 HB1 PRO 21 -12.619 14.561 -0.561 103 HG2 PRO 21 HG2 PRO 21 -11.480 13.692 -3.162 104 HG3 PRO 21 HG1 PRO 21 -10.961 13.290 -1.514 105 HD2 PRO 21 HD2 PRO 21 -12.462 11.610 -3.038 106 HD3 PRO 21 HD1 PRO 21 -12.534 11.653 -1.266 107 H ALA 22 HN ALA 22 -13.872 13.236 -4.379 108 HA ALA 22 HA ALA 22 -14.554 15.678 -5.846 109 HB1 ALA 22 HB1 ALA 22 -12.404 14.661 -6.470 110 HB2 ALA 22 HB2 ALA 22 -13.561 14.516 -7.795 111 HB3 ALA 22 HB3 ALA 22 -13.215 13.122 -6.773 112 H ARG 23 HN ARG 23 -16.298 15.597 -7.250 113 HA ARG 23 HA ARG 23 -17.859 13.101 -7.117 114 HB2 ARG 23 HB2 ARG 23 -18.555 15.144 -5.582 115 HB3 ARG 23 HB1 ARG 23 -19.293 15.712 -7.074 116 HG2 ARG 23 HG2 ARG 23 -20.626 13.682 -7.208 117 HG3 ARG 23 HG1 ARG 23 -19.855 13.070 -5.742 118 HD2 ARG 23 HD2 ARG 23 -20.685 15.194 -4.616 119 HD3 ARG 23 HD1 ARG 23 -21.677 15.424 -6.051 120 HE ARG 23 HE ARG 23 -21.970 12.835 -4.883 121 HH11 ARG 23 HH11 ARG 23 -23.229 16.150 -4.892 122 HH12 ARG 23 HH12 ARG 23 -24.619 15.758 -3.990 123 HH21 ARG 23 HH21 ARG 23 -23.872 12.326 -3.619 124 HH22 ARG 23 HH22 ARG 23 -24.995 13.561 -3.258 125 H PHE 24 HN PHE 24 -16.635 15.712 -8.932 126 HA PHE 24 HA PHE 24 -17.901 14.582 -11.308 127 HB2 PHE 24 HB2 PHE 24 -17.339 17.533 -10.817 128 HB3 PHE 24 HB1 PHE 24 -17.786 16.815 -12.356 129 HD1 PHE 24 HD1 PHE 24 -18.962 17.535 -8.939 130 HD2 PHE 24 HD2 PHE 24 -20.002 16.439 -12.911 131 HE1 PHE 24 HE1 PHE 24 -21.324 17.949 -8.431 132 HE2 PHE 24 HE2 PHE 24 -22.361 16.843 -12.407 133 HZ PHE 24 HZ PHE 24 -23.026 17.596 -10.166 134 H CYS 25 HN CYS 25 -16.579 15.153 -13.221 135 HA CYS 25 HA CYS 25 -13.775 15.577 -12.587 136 HB2 CYS 25 HB2 CYS 25 -15.024 13.665 -14.568 137 HB3 CYS 25 HB1 CYS 25 -13.301 14.067 -14.508 138 H VAL 26 HN VAL 26 -12.863 17.068 -13.874 139 HA VAL 26 HA VAL 26 -14.560 18.423 -15.907 140 HB VAL 26 HB VAL 26 -11.927 19.409 -14.863 141 HG11 VAL 26 HG11 VAL 26 -12.886 21.591 -15.298 142 HG12 VAL 26 HG12 VAL 26 -14.388 20.820 -15.812 143 HG13 VAL 26 HG13 VAL 26 -12.901 20.553 -16.723 144 HG21 VAL 26 HG21 VAL 26 -13.119 18.921 -12.846 145 HG22 VAL 26 HG22 VAL 26 -14.551 19.773 -13.432 146 HG23 VAL 26 HG23 VAL 26 -13.071 20.670 -13.073 147 H TYR 27 HN TYR 27 -14.181 17.810 -17.906 148 HA TYR 27 HA TYR 27 -11.533 16.767 -18.580 149 HB2 TYR 27 HB2 TYR 27 -14.143 16.637 -20.103 150 HB3 TYR 27 HB1 TYR 27 -12.574 16.119 -20.734 151 HD1 TYR 27 HD1 TYR 27 -14.930 15.486 -17.911 152 HD2 TYR 27 HD2 TYR 27 -11.837 13.960 -20.390 153 HE1 TYR 27 HE1 TYR 27 -15.229 13.260 -16.915 154 HE2 TYR 27 HE2 TYR 27 -12.133 11.740 -19.401 155 HH TYR 27 HH TYR 27 -14.808 10.911 -17.513 156 H TYR 28 HN TYR 28 -10.301 17.569 -20.129 157 HA TYR 28 HA TYR 28 -11.073 20.144 -21.315 158 HB2 TYR 28 HB2 TYR 28 -8.382 19.573 -20.108 159 HB3 TYR 28 HB1 TYR 28 -8.930 21.069 -20.856 160 HD1 TYR 28 HD1 TYR 28 -9.051 18.945 -17.896 161 HD2 TYR 28 HD2 TYR 28 -10.205 22.674 -19.568 162 HE1 TYR 28 HE1 TYR 28 -9.476 19.813 -15.655 163 HE2 TYR 28 HE2 TYR 28 -10.650 23.549 -17.308 164 HH TYR 28 HH TYR 28 -9.510 21.861 -14.583 165 H ASP 29 HN ASP 29 -9.861 20.638 -23.139 166 HA ASP 29 HA ASP 29 -8.564 18.442 -24.562 167 HB2 ASP 29 HB2 ASP 29 -10.226 19.772 -25.804 168 HB3 ASP 29 HB1 ASP 29 -9.308 21.236 -25.441 169 H GLY 30 HN GLY 30 -6.533 18.277 -23.984 170 HA2 GLY 30 HA2 GLY 30 -4.334 19.205 -24.452 171 HA3 GLY 30 HA1 GLY 30 -4.945 20.729 -23.787 172 H HIS 31 HN HIS 31 -2.703 19.269 -22.913 173 HA HIS 31 HA HIS 31 -3.627 18.264 -20.307 174 HB2 HIS 31 HB2 HIS 31 -1.424 17.143 -20.107 175 HB3 HIS 31 HB1 HIS 31 -2.331 16.610 -21.528 176 HD1 HIS 31 HD1 HIS 31 0.923 18.121 -20.514 177 HD2 HIS 31 HD2 HIS 31 -1.302 17.619 -23.989 178 HE1 HIS 31 HE1 HIS 31 2.492 18.563 -22.417 179 H LEU 32 HN LEU 32 -2.194 20.949 -21.746 180 HA LEU 32 HA LEU 32 -0.393 21.539 -19.604 181 HB2 LEU 32 HB2 LEU 32 -0.087 22.082 -22.098 182 HB3 LEU 32 HB1 LEU 32 -1.259 23.358 -21.848 183 HG LEU 32 HG LEU 32 0.230 24.322 -20.139 184 HD11 LEU 32 HD11 LEU 32 2.188 22.277 -21.201 185 HD12 LEU 32 HD12 LEU 32 1.528 22.309 -19.574 186 HD13 LEU 32 HD13 LEU 32 2.602 23.600 -20.115 187 HD21 LEU 32 HD21 LEU 32 1.842 25.264 -21.739 188 HD22 LEU 32 HD22 LEU 32 0.207 25.209 -22.399 189 HD23 LEU 32 HD23 LEU 32 1.403 24.013 -22.902 190 HA PRO 33 HA PRO 33 -3.610 23.072 -17.018 191 HB2 PRO 33 HB2 PRO 33 -2.076 24.718 -15.415 192 HB3 PRO 33 HB1 PRO 33 -2.253 22.966 -15.205 193 HG2 PRO 33 HG2 PRO 33 -0.064 24.471 -16.520 194 HG3 PRO 33 HG1 PRO 33 0.009 23.031 -15.481 195 HD2 PRO 33 HD2 PRO 33 0.279 22.851 -18.110 196 HD3 PRO 33 HD1 PRO 33 -0.589 21.600 -17.179 197 H ALA 34 HN ALA 34 -1.672 25.427 -18.764 198 HA ALA 34 HA ALA 34 -3.704 27.428 -18.153 199 HB1 ALA 34 HB1 ALA 34 -2.296 29.041 -19.284 200 HB2 ALA 34 HB2 ALA 34 -1.237 27.752 -19.848 201 HB3 ALA 34 HB3 ALA 34 -1.339 28.119 -18.123 202 H THR 35 HN THR 35 -2.551 25.574 -20.925 203 HA THR 35 HA THR 35 -4.187 27.054 -22.792 204 HB THR 35 HB THR 35 -2.592 24.593 -23.424 205 HG1 THR 35 HG1 THR 35 -1.550 27.238 -23.102 206 HG21 THR 35 HG21 THR 35 -2.152 25.820 -25.503 207 HG22 THR 35 HG22 THR 35 -3.030 27.216 -24.881 208 HG23 THR 35 HG23 THR 35 -3.891 25.715 -25.222 209 H ARG 36 HN ARG 36 -4.780 24.416 -20.757 210 HA ARG 36 HA ARG 36 -6.106 22.822 -22.669 211 HB2 ARG 36 HB2 ARG 36 -6.538 21.251 -20.999 212 HB3 ARG 36 HB1 ARG 36 -5.050 21.996 -20.522 213 HG2 ARG 36 HG2 ARG 36 -7.757 22.462 -19.276 214 HG3 ARG 36 HG1 ARG 36 -6.451 21.503 -18.613 215 HD2 ARG 36 HD2 ARG 36 -5.958 23.335 -17.452 216 HD3 ARG 36 HD1 ARG 36 -5.299 23.968 -18.957 217 HE ARG 36 HE ARG 36 -7.544 24.922 -19.350 218 HH11 ARG 36 HH11 ARG 36 -6.475 24.277 -16.001 219 HH12 ARG 36 HH12 ARG 36 -7.468 25.458 -15.309 220 HH21 ARG 36 HH21 ARG 36 -8.946 26.573 -18.326 221 HH22 ARG 36 HH22 ARG 36 -8.900 26.732 -16.630 222 H VAL 37 HN VAL 37 -8.056 22.779 -23.401 223 HA VAL 37 HA VAL 37 -9.760 25.038 -22.699 224 HB VAL 37 HB VAL 37 -10.003 23.037 -24.957 225 HG11 VAL 37 HG11 VAL 37 -12.136 24.080 -24.449 226 HG12 VAL 37 HG12 VAL 37 -11.513 24.689 -25.983 227 HG13 VAL 37 HG13 VAL 37 -11.399 25.678 -24.529 228 HG21 VAL 37 HG21 VAL 37 -8.841 25.821 -24.949 229 HG22 VAL 37 HG22 VAL 37 -9.129 24.849 -26.388 230 HG23 VAL 37 HG23 VAL 37 -7.956 24.312 -25.182 231 H LEU 38 HN LEU 38 -11.530 24.806 -21.509 232 HA LEU 38 HA LEU 38 -12.271 22.410 -20.248 233 HB2 LEU 38 HB2 LEU 38 -12.747 24.646 -19.332 234 HB3 LEU 38 HB1 LEU 38 -13.814 24.989 -20.663 235 HG LEU 38 HG LEU 38 -14.908 24.533 -18.421 236 HD11 LEU 38 HD11 LEU 38 -16.758 23.221 -19.294 237 HD12 LEU 38 HD12 LEU 38 -15.780 22.756 -20.685 238 HD13 LEU 38 HD13 LEU 38 -16.235 24.444 -20.453 239 HD21 LEU 38 HD21 LEU 38 -15.205 22.217 -17.763 240 HD22 LEU 38 HD22 LEU 38 -13.509 22.698 -17.715 241 HD23 LEU 38 HD23 LEU 38 -14.112 21.708 -19.046 242 H LEU 39 HN LEU 39 -13.417 20.730 -20.946 243 HA LEU 39 HA LEU 39 -14.938 21.046 -23.415 244 HB2 LEU 39 HB2 LEU 39 -13.929 18.553 -22.051 245 HB3 LEU 39 HB1 LEU 39 -14.946 18.548 -23.476 246 HG LEU 39 HG LEU 39 -12.144 19.659 -23.301 247 HD11 LEU 39 HD11 LEU 39 -11.583 17.818 -24.803 248 HD12 LEU 39 HD12 LEU 39 -13.239 17.222 -24.694 249 HD13 LEU 39 HD13 LEU 39 -12.206 17.234 -23.263 250 HD21 LEU 39 HD21 LEU 39 -12.338 19.931 -25.739 251 HD22 LEU 39 HD22 LEU 39 -13.465 20.959 -24.868 252 HD23 LEU 39 HD23 LEU 39 -14.041 19.480 -25.646 253 H MET 40 HN MET 40 -15.305 19.292 -20.247 254 HA MET 40 HA MET 40 -17.816 20.302 -19.679 255 HB2 MET 40 HB2 MET 40 -19.286 18.367 -20.099 256 HB3 MET 40 HB1 MET 40 -18.723 19.119 -21.597 257 HG2 MET 40 HG2 MET 40 -17.246 17.323 -22.011 258 HG3 MET 40 HG1 MET 40 -17.485 16.695 -20.384 259 HE1 MET 40 HE1 MET 40 -20.841 16.672 -23.573 260 HE2 MET 40 HE2 MET 40 -19.263 17.418 -23.833 261 HE3 MET 40 HE3 MET 40 -20.379 18.105 -22.656 262 H TYR 41 HN TYR 41 -18.932 19.128 -18.105 263 HA TYR 41 HA TYR 41 -17.051 17.947 -16.189 264 HB2 TYR 41 HB2 TYR 41 -19.716 19.334 -15.840 265 HB3 TYR 41 HB1 TYR 41 -18.855 18.518 -14.531 266 HD1 TYR 41 HD2 TYR 41 -18.691 21.356 -16.926 267 HD2 TYR 41 HD1 TYR 41 -17.119 19.617 -13.377 268 HE1 TYR 41 HE2 TYR 41 -17.468 23.435 -16.454 269 HE2 TYR 41 HE1 TYR 41 -15.901 21.692 -12.895 270 HH TYR 41 HH TYR 41 -16.531 24.597 -14.440 271 H VAL 42 HN VAL 42 -17.451 15.954 -15.384 272 HA VAL 42 HA VAL 42 -19.889 14.567 -16.290 273 HB VAL 42 HB VAL 42 -17.089 13.404 -16.129 274 HG11 VAL 42 HG11 VAL 42 -18.072 11.352 -17.076 275 HG12 VAL 42 HG12 VAL 42 -19.678 12.074 -16.934 276 HG13 VAL 42 HG13 VAL 42 -18.733 11.736 -15.487 277 HG21 VAL 42 HG21 VAL 42 -17.280 13.123 -18.560 278 HG22 VAL 42 HG22 VAL 42 -17.391 14.820 -18.088 279 HG23 VAL 42 HG23 VAL 42 -18.848 13.929 -18.522 280 H ARG 43 HN ARG 43 -20.878 13.345 -14.778 281 HA ARG 43 HA ARG 43 -20.241 13.782 -12.026 282 HB2 ARG 43 HB2 ARG 43 -22.543 13.733 -13.005 283 HB3 ARG 43 HB1 ARG 43 -22.334 12.025 -13.318 284 HG2 ARG 43 HG2 ARG 43 -23.656 12.243 -11.356 285 HG3 ARG 43 HG1 ARG 43 -22.052 11.696 -10.861 286 HD2 ARG 43 HD2 ARG 43 -21.448 13.859 -10.117 287 HD3 ARG 43 HD1 ARG 43 -22.870 14.593 -10.845 288 HE ARG 43 HE ARG 43 -23.028 12.656 -8.641 289 HH11 ARG 43 HH11 ARG 43 -24.067 15.749 -10.089 290 HH12 ARG 43 HH12 ARG 43 -25.003 16.223 -8.755 291 HH21 ARG 43 HH21 ARG 43 -24.422 13.309 -6.849 292 HH22 ARG 43 HH22 ARG 43 -25.236 14.803 -6.903 293 H ILE 44 HN ILE 44 -18.976 12.476 -10.850 294 HA ILE 44 HA ILE 44 -17.888 10.063 -11.873 295 HB ILE 44 HB ILE 44 -17.896 11.082 -8.997 296 HG12 ILE 44 HG12 ILE 44 -15.769 11.159 -11.156 297 HG13 ILE 44 HG11 ILE 44 -16.678 12.531 -10.537 298 HG21 ILE 44 HG21 ILE 44 -16.293 8.802 -10.191 299 HG22 ILE 44 HG22 ILE 44 -17.598 8.645 -9.019 300 HG23 ILE 44 HG23 ILE 44 -16.097 9.449 -8.562 301 HD11 ILE 44 HD11 ILE 44 -15.612 12.248 -8.357 302 HD12 ILE 44 HD12 ILE 44 -14.421 12.471 -9.639 303 HD13 ILE 44 HD13 ILE 44 -14.720 10.863 -8.983 304 H GLY 45 HN GLY 45 -18.657 8.134 -11.893 305 HA2 GLY 45 HA2 GLY 45 -19.893 6.360 -10.826 306 HA3 GLY 45 HA1 GLY 45 -21.050 7.575 -10.293 307 H THR 46 HN THR 46 -20.292 8.666 -13.240 308 HA THR 46 HA THR 46 -22.141 6.852 -14.650 309 HB THR 46 HB THR 46 -23.152 8.809 -15.758 310 HG1 THR 46 HG1 THR 46 -21.352 10.181 -14.150 311 HG21 THR 46 HG21 THR 46 -24.352 7.783 -13.906 312 HG22 THR 46 HG22 THR 46 -24.602 9.530 -13.893 313 HG23 THR 46 HG23 THR 46 -23.475 8.791 -12.755 314 H THR 47 HN THR 47 -22.167 7.158 -16.906 315 HA THR 47 HA THR 47 -19.495 7.597 -18.002 316 HB THR 47 HB THR 47 -20.466 6.539 -19.995 317 HG1 THR 47 HG1 THR 47 -22.609 6.761 -19.923 318 HG21 THR 47 HG21 THR 47 -20.770 4.913 -17.459 319 HG22 THR 47 HG22 THR 47 -19.280 5.145 -18.377 320 HG23 THR 47 HG23 THR 47 -20.620 4.239 -19.081 321 H ALA 48 HN ALA 48 -19.368 8.741 -19.924 322 HA ALA 48 HA ALA 48 -21.569 10.471 -20.684 323 HB1 ALA 48 HB1 ALA 48 -19.026 11.682 -19.626 324 HB2 ALA 48 HB2 ALA 48 -20.608 11.729 -18.840 325 HB3 ALA 48 HB3 ALA 48 -20.359 12.559 -20.375 326 H THR 49 HN THR 49 -21.340 11.385 -22.669 327 HA THR 49 HA THR 49 -19.199 10.272 -24.300 328 HB THR 49 HB THR 49 -21.553 11.907 -25.243 329 HG1 THR 49 HG1 THR 49 -21.468 9.085 -24.666 330 HG21 THR 49 HG21 THR 49 -19.902 9.728 -26.540 331 HG22 THR 49 HG22 THR 49 -19.747 11.456 -26.848 332 HG23 THR 49 HG23 THR 49 -21.224 10.610 -27.304 333 H ILE 50 HN ILE 50 -17.457 11.578 -24.357 334 HA ILE 50 HA ILE 50 -17.768 14.494 -24.291 335 HB ILE 50 HB ILE 50 -15.235 12.974 -24.792 336 HG12 ILE 50 HG12 ILE 50 -16.195 11.997 -22.734 337 HG13 ILE 50 HG11 ILE 50 -14.722 12.905 -22.379 338 HG21 ILE 50 HG21 ILE 50 -15.760 15.653 -23.524 339 HG22 ILE 50 HG22 ILE 50 -15.125 15.352 -25.142 340 HG23 ILE 50 HG23 ILE 50 -14.161 14.932 -23.722 341 HD11 ILE 50 HD11 ILE 50 -16.422 13.263 -20.687 342 HD12 ILE 50 HD12 ILE 50 -17.561 13.807 -21.916 343 HD13 ILE 50 HD13 ILE 50 -16.120 14.761 -21.567 344 H THR 51 HN THR 51 -17.488 15.562 -26.214 345 HA THR 51 HA THR 51 -16.791 13.966 -28.598 346 HB THR 51 HB THR 51 -18.721 16.296 -28.621 347 HG1 THR 51 HG1 THR 51 -19.956 13.953 -29.072 348 HG21 THR 51 HG21 THR 51 -19.382 15.358 -30.803 349 HG22 THR 51 HG22 THR 51 -18.189 14.074 -30.605 350 HG23 THR 51 HG23 THR 51 -17.662 15.751 -30.767 351 H ALA 52 HN ALA 52 -14.843 14.641 -29.165 352 HA ALA 52 HA ALA 52 -14.342 17.493 -29.372 353 HB1 ALA 52 HB1 ALA 52 -12.538 15.599 -27.859 354 HB2 ALA 52 HB2 ALA 52 -13.483 16.913 -27.162 355 HB3 ALA 52 HB3 ALA 52 -12.154 17.271 -28.267 356 H ARG 53 HN ARG 53 -13.186 17.980 -31.101 357 HA ARG 53 HA ARG 53 -12.044 17.839 -33.017 358 HB2 ARG 53 HB2 ARG 53 -10.894 15.404 -31.702 359 HB3 ARG 53 HB1 ARG 53 -10.354 15.995 -33.283 360 HG2 ARG 53 HG2 ARG 53 -9.782 18.130 -32.282 361 HG3 ARG 53 HG1 ARG 53 -10.316 17.523 -30.703 362 HD2 ARG 53 HD2 ARG 53 -7.936 17.514 -31.129 363 HD3 ARG 53 HD1 ARG 53 -8.561 15.908 -30.663 364 HE ARG 53 HE ARG 53 -8.383 16.455 -33.498 365 HH11 ARG 53 HH11 ARG 53 -6.540 15.148 -30.750 366 HH12 ARG 53 HH12 ARG 53 -5.590 14.139 -31.758 367 HH21 ARG 53 HH21 ARG 53 -7.033 15.068 -34.812 368 HH22 ARG 53 HH22 ARG 53 -5.864 14.097 -34.036 369 H GLY 54 HN GLY 54 -14.606 16.647 -32.685 370 HA2 GLY 54 HA2 GLY 54 -16.154 15.651 -34.093 371 HA3 GLY 54 HA1 GLY 54 -14.816 15.275 -35.187 372 H HIS 55 HN HIS 55 -14.111 14.129 -32.096 373 HA HIS 55 HA HIS 55 -15.058 11.485 -32.869 374 HB2 HIS 55 HB2 HIS 55 -12.684 12.300 -31.187 375 HB3 HIS 55 HB1 HIS 55 -13.290 10.644 -31.264 376 HD1 HIS 55 HD1 HIS 55 -12.501 9.233 -33.242 377 HD2 HIS 55 HD2 HIS 55 -11.489 13.253 -33.581 378 HE1 HIS 55 HE1 HIS 55 -10.891 9.388 -35.165 379 H GLU 56 HN GLU 56 -16.197 10.303 -31.443 380 HA GLU 56 HA GLU 56 -17.181 11.676 -29.061 381 HB2 GLU 56 HB2 GLU 56 -18.152 9.218 -30.519 382 HB3 GLU 56 HB1 GLU 56 -18.912 9.913 -29.081 383 HG2 GLU 56 HG2 GLU 56 -19.476 11.886 -30.282 384 HG3 GLU 56 HG1 GLU 56 -18.581 11.348 -31.701 385 H PHE 57 HN PHE 57 -16.492 10.963 -27.109 386 HA PHE 57 HA PHE 57 -15.168 8.365 -26.906 387 HB2 PHE 57 HB2 PHE 57 -14.683 10.880 -25.306 388 HB3 PHE 57 HB1 PHE 57 -13.813 9.348 -25.177 389 HD1 PHE 57 HD2 PHE 57 -12.296 8.667 -27.033 390 HD2 PHE 57 HD1 PHE 57 -14.128 12.504 -26.908 391 HE1 PHE 57 HE2 PHE 57 -10.672 9.497 -28.686 392 HE2 PHE 57 HE1 PHE 57 -12.517 13.337 -28.558 393 HZ PHE 57 HZ PHE 57 -10.792 11.842 -29.454 394 H GLU 58 HN GLU 58 -16.666 7.080 -25.931 395 HA GLU 58 HA GLU 58 -18.395 8.210 -23.890 396 HB2 GLU 58 HB2 GLU 58 -19.215 6.517 -25.560 397 HB3 GLU 58 HB1 GLU 58 -18.105 5.345 -24.843 398 HG2 GLU 58 HG2 GLU 58 -20.325 4.943 -24.037 399 HG3 GLU 58 HG1 GLU 58 -19.336 5.551 -22.718 400 H VAL 59 HN VAL 59 -17.465 8.506 -22.033 401 HA VAL 59 HA VAL 59 -15.287 6.718 -21.173 402 HB VAL 59 HB VAL 59 -14.363 8.588 -19.949 403 HG11 VAL 59 HG11 VAL 59 -14.902 9.261 -22.838 404 HG12 VAL 59 HG12 VAL 59 -13.529 8.353 -22.185 405 HG13 VAL 59 HG13 VAL 59 -13.700 10.068 -21.836 406 HG21 VAL 59 HG21 VAL 59 -16.608 10.257 -21.096 407 HG22 VAL 59 HG22 VAL 59 -15.232 10.889 -20.190 408 HG23 VAL 59 HG23 VAL 59 -16.389 9.819 -19.401 409 H GLU 60 HN GLU 60 -15.174 6.301 -18.964 410 HA GLU 60 HA GLU 60 -17.680 6.775 -17.534 411 HB2 GLU 60 HB2 GLU 60 -17.346 4.401 -18.057 412 HB3 GLU 60 HB1 GLU 60 -15.759 4.462 -17.287 413 HG2 GLU 60 HG2 GLU 60 -16.749 4.810 -15.139 414 HG3 GLU 60 HG1 GLU 60 -18.347 4.989 -15.857 415 H ALA 61 HN ALA 61 -17.497 8.171 -15.936 416 HA ALA 61 HA ALA 61 -14.873 8.722 -14.816 417 HB1 ALA 61 HB1 ALA 61 -17.573 9.943 -14.166 418 HB2 ALA 61 HB2 ALA 61 -16.364 10.638 -15.248 419 HB3 ALA 61 HB3 ALA 61 -16.027 10.496 -13.525 420 H LYS 62 HN LYS 62 -14.399 6.879 -13.799 421 HA LYS 62 HA LYS 62 -16.323 5.740 -11.937 422 HB2 LYS 62 HB2 LYS 62 -14.828 3.786 -11.966 423 HB3 LYS 62 HB1 LYS 62 -15.556 4.211 -13.512 424 HG2 LYS 62 HG2 LYS 62 -13.569 5.146 -14.298 425 HG3 LYS 62 HG1 LYS 62 -12.792 5.073 -12.710 426 HD2 LYS 62 HD2 LYS 62 -11.958 3.295 -14.162 427 HD3 LYS 62 HD1 LYS 62 -12.849 2.634 -12.795 428 HE2 LYS 62 HE2 LYS 62 -14.846 2.478 -14.304 429 HE3 LYS 62 HE1 LYS 62 -13.793 2.929 -15.641 430 HZ1 LYS 62 HZ1 LYS 62 -14.087 0.553 -15.471 431 HZ2 LYS 62 HZ2 LYS 62 -13.464 0.558 -13.905 432 HZ3 LYS 62 HZ3 LYS 62 -12.472 0.954 -15.199 433 H ASP 63 HN ASP 63 -13.320 7.546 -11.746 434 HA ASP 63 HA ASP 63 -12.897 6.359 -9.121 435 HB2 ASP 63 HB2 ASP 63 -11.300 5.572 -10.901 436 HB3 ASP 63 HB1 ASP 63 -10.766 7.237 -11.067 437 H GLN 64 HN GLN 64 -12.006 7.790 -7.597 438 HA GLN 64 HA GLN 64 -12.973 10.453 -7.785 439 HB2 GLN 64 HB2 GLN 64 -11.989 10.772 -5.580 440 HB3 GLN 64 HB1 GLN 64 -12.891 9.267 -5.654 441 HG2 GLN 64 HG2 GLN 64 -10.853 7.996 -5.829 442 HG3 GLN 64 HG1 GLN 64 -9.900 9.475 -5.910 443 HE21 GLN 64 HE21 GLN 64 -9.670 10.711 -4.071 444 HE22 GLN 64 HE22 GLN 64 -9.967 10.083 -2.489 445 H ASN 65 HN ASN 65 -10.143 9.034 -8.912 446 HA ASN 65 HA ASN 65 -8.551 11.490 -8.759 447 HB2 ASN 65 HB2 ASN 65 -7.949 8.731 -9.848 448 HB3 ASN 65 HB1 ASN 65 -6.838 10.096 -9.970 449 HD21 ASN 65 HD21 ASN 65 -8.320 7.784 -7.887 450 HD22 ASN 65 HD22 ASN 65 -7.255 7.990 -6.536 451 H CYS 66 HN CYS 66 -10.989 10.338 -10.533 452 HA CYS 66 HA CYS 66 -11.825 10.556 -12.555 453 HB2 CYS 66 HB2 CYS 66 -10.031 12.966 -12.522 454 HB3 CYS 66 HB1 CYS 66 -11.209 12.638 -13.811 455 H LYS 67 HN LYS 67 -9.727 8.781 -12.262 456 HA LYS 67 HA LYS 67 -8.096 8.784 -14.467 457 HB2 LYS 67 HB2 LYS 67 -8.169 7.310 -12.274 458 HB3 LYS 67 HB1 LYS 67 -9.211 6.293 -13.271 459 HG2 LYS 67 HG2 LYS 67 -6.906 5.483 -13.175 460 HG3 LYS 67 HG1 LYS 67 -7.402 5.905 -14.819 461 HD2 LYS 67 HD2 LYS 67 -6.253 8.061 -13.250 462 HD3 LYS 67 HD1 LYS 67 -5.094 6.775 -13.660 463 HE2 LYS 67 HE2 LYS 67 -5.492 7.074 -15.970 464 HE3 LYS 67 HE1 LYS 67 -6.939 8.031 -15.626 465 HZ1 LYS 67 HZ1 LYS 67 -5.565 9.821 -14.872 466 HZ2 LYS 67 HZ2 LYS 67 -4.950 9.364 -16.372 467 HZ3 LYS 67 HZ3 LYS 67 -4.158 8.903 -14.954 468 H VAL 68 HN VAL 68 -9.022 8.963 -16.412 469 HA VAL 68 HA VAL 68 -11.688 8.086 -16.875 470 HB VAL 68 HB VAL 68 -11.230 10.228 -17.728 471 HG11 VAL 68 HG11 VAL 68 -8.830 10.174 -17.836 472 HG12 VAL 68 HG12 VAL 68 -9.472 10.708 -19.390 473 HG13 VAL 68 HG13 VAL 68 -8.882 9.055 -19.192 474 HG21 VAL 68 HG21 VAL 68 -12.650 8.983 -19.170 475 HG22 VAL 68 HG22 VAL 68 -11.275 8.253 -19.989 476 HG23 VAL 68 HG23 VAL 68 -11.599 9.974 -20.192 477 H ILE 69 HN ILE 69 -12.132 6.124 -17.307 478 HA ILE 69 HA ILE 69 -10.576 4.760 -19.358 479 HB ILE 69 HB ILE 69 -12.016 3.550 -16.958 480 HG12 ILE 69 HG12 ILE 69 -9.763 2.309 -16.777 481 HG13 ILE 69 HG11 ILE 69 -9.160 3.504 -17.898 482 HG21 ILE 69 HG21 ILE 69 -11.525 1.325 -17.845 483 HG22 ILE 69 HG22 ILE 69 -10.934 2.053 -19.339 484 HG23 ILE 69 HG23 ILE 69 -12.631 2.217 -18.889 485 HD11 ILE 69 HD11 ILE 69 -9.702 5.280 -16.321 486 HD12 ILE 69 HD12 ILE 69 -8.599 4.095 -15.624 487 HD13 ILE 69 HD13 ILE 69 -10.303 4.079 -15.177 488 H LEU 70 HN LEU 70 -11.719 4.037 -21.068 489 HA LEU 70 HA LEU 70 -14.401 5.048 -21.295 490 HB2 LEU 70 HB2 LEU 70 -12.485 3.863 -23.251 491 HB3 LEU 70 HB1 LEU 70 -14.141 4.205 -23.706 492 HG LEU 70 HG LEU 70 -13.657 6.636 -23.209 493 HD11 LEU 70 HD11 LEU 70 -10.796 5.714 -23.075 494 HD12 LEU 70 HD12 LEU 70 -11.738 6.374 -21.739 495 HD13 LEU 70 HD13 LEU 70 -11.345 7.391 -23.126 496 HD21 LEU 70 HD21 LEU 70 -13.667 5.790 -25.474 497 HD22 LEU 70 HD22 LEU 70 -11.974 5.325 -25.329 498 HD23 LEU 70 HD23 LEU 70 -12.427 7.028 -25.279 499 H THR 71 HN THR 71 -15.954 3.682 -22.410 500 HA THR 71 HA THR 71 -16.610 1.670 -20.576 501 HB THR 71 HB THR 71 -18.599 1.283 -22.095 502 HG1 THR 71 HG1 THR 71 -18.420 2.071 -24.000 503 HG21 THR 71 HG21 THR 71 -18.647 2.812 -20.169 504 HG22 THR 71 HG22 THR 71 -19.588 3.461 -21.512 505 HG23 THR 71 HG23 THR 71 -17.980 4.098 -21.177 506 H ASN 72 HN ASN 72 -14.814 1.283 -23.494 507 HA ASN 72 HA ASN 72 -15.455 -1.562 -23.431 508 HB2 ASN 72 HB2 ASN 72 -14.596 -1.755 -25.610 509 HB3 ASN 72 HB1 ASN 72 -15.602 -0.301 -25.608 510 HD21 ASN 72 HD21 ASN 72 -14.578 1.726 -25.865 511 HD22 ASN 72 HD22 ASN 72 -12.959 1.829 -26.433 512 H GLY 73 HN GLY 73 -13.425 0.387 -21.898 513 HA2 GLY 73 HA2 GLY 73 -11.777 -0.462 -20.482 514 HA3 GLY 73 HA1 GLY 73 -11.444 -1.735 -21.666 515 H LYS 74 HN LYS 74 -11.793 1.292 -23.129 516 HA LYS 74 HA LYS 74 -8.992 1.305 -23.641 517 HB2 LYS 74 HB2 LYS 74 -11.220 3.023 -24.688 518 HB3 LYS 74 HB1 LYS 74 -9.530 3.341 -25.044 519 HG2 LYS 74 HG2 LYS 74 -11.001 0.812 -25.690 520 HG3 LYS 74 HG1 LYS 74 -10.676 2.126 -26.820 521 HD2 LYS 74 HD2 LYS 74 -8.282 1.781 -26.554 522 HD3 LYS 74 HD1 LYS 74 -8.575 0.507 -25.371 523 HE2 LYS 74 HE2 LYS 74 -8.104 -0.465 -27.530 524 HE3 LYS 74 HE1 LYS 74 -9.775 -0.757 -27.022 525 HZ1 LYS 74 HZ1 LYS 74 -8.969 1.379 -28.923 526 HZ2 LYS 74 HZ2 LYS 74 -10.538 0.934 -28.512 527 HZ3 LYS 74 HZ3 LYS 74 -9.565 -0.128 -29.369 528 H GLN 75 HN GLN 75 -7.643 2.966 -23.316 529 HA GLN 75 HA GLN 75 -8.283 4.661 -21.066 530 HB2 GLN 75 HB2 GLN 75 -5.646 4.248 -22.527 531 HB3 GLN 75 HB1 GLN 75 -5.867 5.251 -21.107 532 HG2 GLN 75 HG2 GLN 75 -4.863 3.237 -20.374 533 HG3 GLN 75 HG1 GLN 75 -6.543 3.168 -19.862 534 HE21 GLN 75 HE21 GLN 75 -6.485 0.906 -19.721 535 HE22 GLN 75 HE22 GLN 75 -6.473 -0.080 -21.137 536 H ALA 76 HN ALA 76 -7.702 6.919 -21.291 537 HA ALA 76 HA ALA 76 -8.927 7.925 -23.656 538 HB1 ALA 76 HB1 ALA 76 -8.806 10.071 -22.481 539 HB2 ALA 76 HB2 ALA 76 -7.902 9.287 -21.185 540 HB3 ALA 76 HB3 ALA 76 -9.568 8.805 -21.521 541 HA PRO 77 HA PRO 77 -5.364 9.461 -25.932 542 HB2 PRO 77 HB2 PRO 77 -6.830 12.041 -25.866 543 HB3 PRO 77 HB1 PRO 77 -6.229 11.133 -27.272 544 HG2 PRO 77 HG2 PRO 77 -8.820 11.257 -26.668 545 HG3 PRO 77 HG1 PRO 77 -8.070 9.828 -27.416 546 HD2 PRO 77 HD2 PRO 77 -9.043 10.175 -24.636 547 HD3 PRO 77 HD1 PRO 77 -8.844 8.706 -25.617 548 H ASP 78 HN ASP 78 -3.648 10.995 -25.607 549 HA ASP 78 HA ASP 78 -3.245 11.568 -22.859 550 HB2 ASP 78 HB2 ASP 78 -1.390 10.854 -24.307 551 HB3 ASP 78 HB1 ASP 78 -1.542 12.343 -25.230 552 H TRP 79 HN TRP 79 -4.309 13.318 -25.585 553 HA TRP 79 HA TRP 79 -3.945 15.891 -24.388 554 HB2 TRP 79 HB2 TRP 79 -5.142 16.742 -26.420 555 HB3 TRP 79 HB1 TRP 79 -3.752 15.725 -26.791 556 HD1 TRP 79 HD1 TRP 79 -4.183 13.593 -28.101 557 HE1 TRP 79 HE1 TRP 79 -6.236 12.606 -29.365 558 HE3 TRP 79 HE3 TRP 79 -7.793 16.641 -26.220 559 HZ2 TRP 79 HZ2 TRP 79 -8.997 13.115 -29.532 560 HZ3 TRP 79 HZ3 TRP 79 -10.115 16.344 -26.980 561 HH2 TRP 79 HH2 TRP 79 -10.699 14.616 -28.600 562 H LEU 80 HN LEU 80 -6.129 13.479 -23.808 563 HA LEU 80 HA LEU 80 -8.286 15.349 -23.297 564 HB2 LEU 80 HB2 LEU 80 -8.867 13.263 -24.498 565 HB3 LEU 80 HB1 LEU 80 -8.252 12.326 -23.136 566 HG LEU 80 HG LEU 80 -10.027 13.220 -21.719 567 HD11 LEU 80 HD11 LEU 80 -10.361 15.388 -22.762 568 HD12 LEU 80 HD12 LEU 80 -11.885 14.502 -22.718 569 HD13 LEU 80 HD13 LEU 80 -10.974 14.615 -24.222 570 HD21 LEU 80 HD21 LEU 80 -11.937 12.089 -22.794 571 HD22 LEU 80 HD22 LEU 80 -10.459 11.140 -22.886 572 HD23 LEU 80 HD23 LEU 80 -11.028 12.024 -24.303 573 H ALA 81 HN ALA 81 -8.177 16.287 -21.420 574 HA ALA 81 HA ALA 81 -6.770 14.901 -19.257 575 HB1 ALA 81 HB1 ALA 81 -7.267 17.849 -19.624 576 HB2 ALA 81 HB2 ALA 81 -5.749 17.013 -19.949 577 HB3 ALA 81 HB3 ALA 81 -6.371 17.103 -18.301 578 H ALA 82 HN ALA 82 -7.590 15.021 -17.221 579 HA ALA 82 HA ALA 82 -10.299 15.973 -16.826 580 HB1 ALA 82 HB1 ALA 82 -10.604 13.654 -17.578 581 HB2 ALA 82 HB2 ALA 82 -11.039 13.831 -15.879 582 HB3 ALA 82 HB3 ALA 82 -9.496 13.100 -16.322 583 H GLU 83 HN GLU 83 -10.425 16.876 -14.899 584 HA GLU 83 HA GLU 83 -8.403 16.198 -12.903 585 HB2 GLU 83 HB2 GLU 83 -9.753 18.870 -13.339 586 HB3 GLU 83 HB1 GLU 83 -8.617 18.512 -12.052 587 HG2 GLU 83 HG2 GLU 83 -6.891 18.083 -13.762 588 HG3 GLU 83 HG1 GLU 83 -8.025 18.586 -15.006 589 HA PRO 84 HA PRO 84 -11.856 14.945 -10.410 590 HB2 PRO 84 HB2 PRO 84 -10.605 15.277 -7.970 591 HB3 PRO 84 HB1 PRO 84 -10.337 13.869 -9.019 592 HG2 PRO 84 HG2 PRO 84 -8.720 16.334 -8.708 593 HG3 PRO 84 HG1 PRO 84 -8.194 14.638 -8.813 594 HD2 PRO 84 HD2 PRO 84 -8.001 16.173 -10.943 595 HD3 PRO 84 HD1 PRO 84 -8.613 14.498 -11.045 596 H TYR 85 HN TYR 85 -13.588 16.125 -9.924 597 HA TYR 85 HA TYR 85 -13.133 18.790 -8.931 598 HB2 TYR 85 HB2 TYR 85 -14.152 18.689 -11.154 599 HB3 TYR 85 HB1 TYR 85 -15.479 17.732 -10.492 600 HD1 TYR 85 HD2 TYR 85 -13.959 21.064 -10.716 601 HD2 TYR 85 HD1 TYR 85 -17.244 18.831 -9.202 602 HE1 TYR 85 HE2 TYR 85 -15.170 23.154 -10.268 603 HE2 TYR 85 HE1 TYR 85 -18.461 20.906 -8.759 604 HH TYR 85 HH TYR 85 -17.495 23.865 -10.040 Start of MODEL 2 1 H SER 7 HT1 SER 7 -14.611 -14.115 -26.892 2 HA SER 7 HA SER 7 -12.092 -12.985 -27.840 3 HB2 SER 7 HB2 SER 7 -13.660 -11.473 -29.077 4 HB3 SER 7 HB1 SER 7 -13.714 -13.156 -29.634 5 HG SER 7 HG SER 7 -15.759 -13.025 -29.257 6 H GLY 8 HN GLY 8 -12.006 -10.668 -27.324 7 HA2 GLY 8 HA2 GLY 8 -12.709 -10.251 -24.575 8 HA3 GLY 8 HA1 GLY 8 -11.828 -9.162 -25.634 9 H ARG 9 HN ARG 9 -15.064 -10.372 -24.961 10 HA ARG 9 HA ARG 9 -16.027 -7.772 -25.881 11 HB2 ARG 9 HB2 ARG 9 -17.290 -10.452 -26.211 12 HB3 ARG 9 HB1 ARG 9 -18.249 -8.979 -26.256 13 HG2 ARG 9 HG2 ARG 9 -16.974 -8.161 -28.118 14 HG3 ARG 9 HG1 ARG 9 -15.915 -9.576 -28.043 15 HD2 ARG 9 HD2 ARG 9 -17.628 -9.818 -29.773 16 HD3 ARG 9 HD1 ARG 9 -17.730 -11.007 -28.468 17 HE ARG 9 HE ARG 9 -19.516 -9.451 -27.539 18 HH11 ARG 9 HH11 ARG 9 -18.992 -9.781 -31.018 19 HH12 ARG 9 HH12 ARG 9 -20.638 -9.661 -31.421 20 HH21 ARG 9 HH21 ARG 9 -21.765 -9.224 -28.078 21 HH22 ARG 9 HH22 ARG 9 -22.269 -9.302 -29.701 22 H GLU 10 HN GLU 10 -15.254 -8.872 -23.302 23 HA GLU 10 HA GLU 10 -17.677 -8.705 -21.764 24 HB2 GLU 10 HB2 GLU 10 -16.287 -9.131 -19.837 25 HB3 GLU 10 HB1 GLU 10 -15.924 -10.298 -21.098 26 HG2 GLU 10 HG2 GLU 10 -13.943 -8.942 -21.703 27 HG3 GLU 10 HG1 GLU 10 -14.368 -7.877 -20.358 28 H ASN 11 HN ASN 11 -18.193 -7.115 -20.427 29 HA ASN 11 HA ASN 11 -16.525 -4.866 -20.101 30 HB2 ASN 11 HB2 ASN 11 -18.044 -3.157 -20.964 31 HB3 ASN 11 HB1 ASN 11 -17.747 -4.300 -22.258 32 HD21 ASN 11 HD21 ASN 11 -19.495 -5.628 -22.949 33 HD22 ASN 11 HD22 ASN 11 -21.125 -5.243 -22.513 34 H LEU 12 HN LEU 12 -16.543 -4.803 -18.101 35 HA LEU 12 HA LEU 12 -18.867 -5.711 -16.663 36 HB2 LEU 12 HB2 LEU 12 -16.071 -5.156 -15.715 37 HB3 LEU 12 HB1 LEU 12 -17.385 -5.340 -14.574 38 HG LEU 12 HG LEU 12 -17.799 -7.620 -15.517 39 HD11 LEU 12 HD11 LEU 12 -16.759 -7.339 -17.698 40 HD12 LEU 12 HD12 LEU 12 -16.099 -8.714 -16.825 41 HD13 LEU 12 HD13 LEU 12 -15.175 -7.211 -16.930 42 HD21 LEU 12 HD21 LEU 12 -15.081 -7.091 -14.354 43 HD22 LEU 12 HD22 LEU 12 -15.893 -8.657 -14.383 44 HD23 LEU 12 HD23 LEU 12 -16.579 -7.324 -13.452 45 H TYR 13 HN TYR 13 -20.325 -4.260 -16.812 46 HA TYR 13 HA TYR 13 -19.646 -1.709 -15.706 47 HB2 TYR 13 HB2 TYR 13 -21.191 -2.303 -18.127 48 HB3 TYR 13 HB1 TYR 13 -21.772 -0.965 -17.121 49 HD1 TYR 13 HD1 TYR 13 -18.744 -2.289 -18.833 50 HD2 TYR 13 HD2 TYR 13 -20.710 1.072 -17.145 51 HE1 TYR 13 HE1 TYR 13 -16.921 -0.837 -19.609 52 HE2 TYR 13 HE2 TYR 13 -18.911 2.524 -17.922 53 HH TYR 13 HH TYR 13 -16.571 2.260 -18.388 54 H PHE 14 HN PHE 14 -20.488 -1.003 -14.166 55 HA PHE 14 HA PHE 14 -22.995 -1.940 -13.098 56 HB2 PHE 14 HB2 PHE 14 -21.842 -2.116 -10.849 57 HB3 PHE 14 HB1 PHE 14 -21.351 -3.366 -11.984 58 HD1 PHE 14 HD1 PHE 14 -19.089 -3.331 -12.947 59 HD2 PHE 14 HD2 PHE 14 -20.305 -0.440 -10.062 60 HE1 PHE 14 HE1 PHE 14 -16.737 -2.721 -12.572 61 HE2 PHE 14 HE2 PHE 14 -17.956 0.175 -9.689 62 HZ PHE 14 HZ PHE 14 -16.170 -0.962 -10.942 63 H GLN 15 HN GLN 15 -23.001 -0.316 -10.876 64 HA GLN 15 HA GLN 15 -21.950 2.180 -11.852 65 HB2 GLN 15 HB2 GLN 15 -24.255 2.047 -12.653 66 HB3 GLN 15 HB1 GLN 15 -24.821 1.873 -10.996 67 HG2 GLN 15 HG2 GLN 15 -24.051 4.061 -10.442 68 HG3 GLN 15 HG1 GLN 15 -23.256 4.222 -12.005 69 HE21 GLN 15 HE21 GLN 15 -24.341 5.981 -12.562 70 HE22 GLN 15 HE22 GLN 15 -26.025 6.018 -12.967 71 H GLY 16 HN GLY 16 -20.485 2.260 -10.371 72 HA2 GLY 16 HA2 GLY 16 -21.233 2.099 -7.552 73 HA3 GLY 16 HA1 GLY 16 -19.594 2.196 -8.192 74 H HIS 17 HN HIS 17 -22.516 4.011 -7.594 75 HA HIS 17 HA HIS 17 -21.390 6.555 -8.292 76 HB2 HIS 17 HB2 HIS 17 -23.872 5.935 -8.367 77 HB3 HIS 17 HB1 HIS 17 -23.863 6.020 -6.612 78 HD1 HIS 17 HD1 HIS 17 -25.092 7.968 -9.198 79 HD2 HIS 17 HD2 HIS 17 -22.561 8.853 -6.019 80 HE1 HIS 17 HE1 HIS 17 -25.210 10.450 -8.880 81 H MET 18 HN MET 18 -20.038 7.656 -7.060 82 HA MET 18 HA MET 18 -19.759 6.879 -4.262 83 HB2 MET 18 HB2 MET 18 -17.894 8.430 -6.029 84 HB3 MET 18 HB1 MET 18 -17.611 8.103 -4.330 85 HG2 MET 18 HG2 MET 18 -17.608 5.701 -4.813 86 HG3 MET 18 HG1 MET 18 -17.862 6.059 -6.520 87 HE1 MET 18 HE1 MET 18 -15.788 4.605 -7.163 88 HE2 MET 18 HE2 MET 18 -15.508 4.221 -5.463 89 HE3 MET 18 HE3 MET 18 -14.183 4.806 -6.464 90 H ALA 19 HN ALA 19 -20.371 8.134 -2.687 91 HA ALA 19 HA ALA 19 -21.070 10.858 -3.246 92 HB1 ALA 19 HB1 ALA 19 -21.970 10.861 -0.926 93 HB2 ALA 19 HB2 ALA 19 -21.379 9.216 -0.719 94 HB3 ALA 19 HB3 ALA 19 -22.650 9.552 -1.893 95 H ALA 20 HN ALA 20 -18.977 11.491 -3.660 96 HA ALA 20 HA ALA 20 -17.048 11.413 -1.447 97 HB1 ALA 20 HB1 ALA 20 -16.390 10.026 -3.335 98 HB2 ALA 20 HB2 ALA 20 -15.325 11.432 -3.253 99 HB3 ALA 20 HB3 ALA 20 -16.624 11.375 -4.438 100 HA PRO 21 HA PRO 21 -16.715 15.942 -1.740 101 HB2 PRO 21 HB2 PRO 21 -14.001 16.276 -2.321 102 HB3 PRO 21 HB1 PRO 21 -14.670 16.096 -0.679 103 HG2 PRO 21 HG2 PRO 21 -13.410 14.042 -2.416 104 HG3 PRO 21 HG1 PRO 21 -13.258 14.297 -0.666 105 HD2 PRO 21 HD2 PRO 21 -14.789 12.352 -1.573 106 HD3 PRO 21 HD1 PRO 21 -15.324 13.346 -0.207 107 H ALA 22 HN ALA 22 -14.911 14.109 -4.139 108 HA ALA 22 HA ALA 22 -15.405 16.092 -6.199 109 HB1 ALA 22 HB1 ALA 22 -13.197 15.017 -6.147 110 HB2 ALA 22 HB2 ALA 22 -14.064 14.585 -7.622 111 HB3 ALA 22 HB3 ALA 22 -13.963 13.437 -6.290 112 H ARG 23 HN ARG 23 -17.185 15.971 -7.304 113 HA ARG 23 HA ARG 23 -18.508 13.360 -7.455 114 HB2 ARG 23 HB2 ARG 23 -19.925 16.016 -7.274 115 HB3 ARG 23 HB1 ARG 23 -20.694 14.445 -7.431 116 HG2 ARG 23 HG2 ARG 23 -19.450 13.862 -5.254 117 HG3 ARG 23 HG1 ARG 23 -19.249 15.605 -5.088 118 HD2 ARG 23 HD2 ARG 23 -21.221 14.941 -3.894 119 HD3 ARG 23 HD1 ARG 23 -21.711 15.841 -5.333 120 HE ARG 23 HE ARG 23 -21.635 13.171 -6.038 121 HH11 ARG 23 HH11 ARG 23 -23.507 15.175 -3.818 122 HH12 ARG 23 HH12 ARG 23 -24.890 14.184 -3.840 123 HH21 ARG 23 HH21 ARG 23 -23.542 11.776 -6.077 124 HH22 ARG 23 HH22 ARG 23 -24.894 12.213 -5.166 125 H PHE 24 HN PHE 24 -16.952 15.651 -9.145 126 HA PHE 24 HA PHE 24 -18.063 14.591 -11.603 127 HB2 PHE 24 HB2 PHE 24 -17.540 17.529 -11.073 128 HB3 PHE 24 HB1 PHE 24 -17.670 16.823 -12.681 129 HD1 PHE 24 HD1 PHE 24 -19.812 16.118 -13.527 130 HD2 PHE 24 HD2 PHE 24 -19.448 17.928 -9.698 131 HE1 PHE 24 HE1 PHE 24 -22.219 16.585 -13.527 132 HE2 PHE 24 HE2 PHE 24 -21.854 18.394 -9.686 133 HZ PHE 24 HZ PHE 24 -23.243 17.721 -11.608 134 H CYS 25 HN CYS 25 -16.547 14.710 -13.291 135 HA CYS 25 HA CYS 25 -13.823 15.382 -12.483 136 HB2 CYS 25 HB2 CYS 25 -14.806 13.378 -14.534 137 HB3 CYS 25 HB1 CYS 25 -13.113 13.797 -14.246 138 H VAL 26 HN VAL 26 -12.876 16.872 -13.739 139 HA VAL 26 HA VAL 26 -14.501 18.178 -15.820 140 HB VAL 26 HB VAL 26 -11.823 19.096 -14.852 141 HG11 VAL 26 HG11 VAL 26 -12.805 20.205 -16.726 142 HG12 VAL 26 HG12 VAL 26 -12.709 21.286 -15.339 143 HG13 VAL 26 HG13 VAL 26 -14.253 20.560 -15.788 144 HG21 VAL 26 HG21 VAL 26 -12.878 20.438 -13.083 145 HG22 VAL 26 HG22 VAL 26 -12.998 18.705 -12.797 146 HG23 VAL 26 HG23 VAL 26 -14.406 19.602 -13.389 147 H TYR 27 HN TYR 27 -14.094 17.737 -17.852 148 HA TYR 27 HA TYR 27 -11.498 16.586 -18.511 149 HB2 TYR 27 HB2 TYR 27 -14.125 16.489 -19.996 150 HB3 TYR 27 HB1 TYR 27 -12.574 16.008 -20.694 151 HD1 TYR 27 HD1 TYR 27 -14.791 15.283 -17.769 152 HD2 TYR 27 HD2 TYR 27 -11.834 13.855 -20.464 153 HE1 TYR 27 HE1 TYR 27 -15.008 13.029 -16.811 154 HE2 TYR 27 HE2 TYR 27 -12.047 11.612 -19.516 155 HH TYR 27 HH TYR 27 -14.579 10.697 -17.478 156 H TYR 28 HN TYR 28 -10.183 17.465 -19.896 157 HA TYR 28 HA TYR 28 -10.958 19.989 -21.181 158 HB2 TYR 28 HB2 TYR 28 -8.334 19.422 -19.818 159 HB3 TYR 28 HB1 TYR 28 -8.726 20.870 -20.746 160 HD1 TYR 28 HD1 TYR 28 -10.242 22.547 -19.749 161 HD2 TYR 28 HD2 TYR 28 -8.952 19.129 -17.579 162 HE1 TYR 28 HE1 TYR 28 -10.837 23.666 -17.644 163 HE2 TYR 28 HE2 TYR 28 -9.555 20.225 -15.478 164 HH TYR 28 HH TYR 28 -11.456 22.940 -15.273 165 H ASP 29 HN ASP 29 -9.950 20.360 -23.090 166 HA ASP 29 HA ASP 29 -8.553 18.133 -24.414 167 HB2 ASP 29 HB2 ASP 29 -10.470 19.391 -25.550 168 HB3 ASP 29 HB1 ASP 29 -9.425 20.807 -25.525 169 H GLY 30 HN GLY 30 -6.405 18.242 -23.935 170 HA2 GLY 30 HA2 GLY 30 -4.551 19.754 -24.865 171 HA3 GLY 30 HA1 GLY 30 -5.222 20.906 -23.698 172 H HIS 31 HN HIS 31 -2.611 19.891 -23.775 173 HA HIS 31 HA HIS 31 -2.535 18.204 -21.367 174 HB2 HIS 31 HB2 HIS 31 -0.330 17.419 -22.089 175 HB3 HIS 31 HB1 HIS 31 -1.530 17.118 -23.353 176 HD1 HIS 31 HD1 HIS 31 1.807 18.483 -22.869 177 HD2 HIS 31 HD2 HIS 31 -1.371 19.176 -25.451 178 HE1 HIS 31 HE1 HIS 31 2.757 19.737 -24.838 179 H LEU 32 HN LEU 32 -2.285 21.306 -22.321 180 HA LEU 32 HA LEU 32 -0.021 21.899 -20.599 181 HB2 LEU 32 HB2 LEU 32 -0.023 22.661 -23.024 182 HB3 LEU 32 HB1 LEU 32 -1.383 23.688 -22.619 183 HG LEU 32 HG LEU 32 0.057 24.825 -20.953 184 HD11 LEU 32 HD11 LEU 32 2.466 24.552 -21.085 185 HD12 LEU 32 HD12 LEU 32 2.286 23.331 -22.335 186 HD13 LEU 32 HD13 LEU 32 1.738 22.991 -20.699 187 HD21 LEU 32 HD21 LEU 32 -0.339 25.807 -23.143 188 HD22 LEU 32 HD22 LEU 32 1.003 24.884 -23.817 189 HD23 LEU 32 HD23 LEU 32 1.311 26.136 -22.615 190 HA PRO 33 HA PRO 33 -3.143 22.978 -17.653 191 HB2 PRO 33 HB2 PRO 33 -1.611 24.448 -15.946 192 HB3 PRO 33 HB1 PRO 33 -1.544 22.676 -16.025 193 HG2 PRO 33 HG2 PRO 33 0.289 24.661 -17.263 194 HG3 PRO 33 HG1 PRO 33 0.667 23.137 -16.433 195 HD2 PRO 33 HD2 PRO 33 0.656 23.334 -19.095 196 HD3 PRO 33 HD1 PRO 33 0.134 21.845 -18.265 197 H ALA 34 HN ALA 34 -1.530 25.306 -19.519 198 HA ALA 34 HA ALA 34 -3.070 27.513 -18.408 199 HB1 ALA 34 HB1 ALA 34 -1.009 27.561 -20.594 200 HB2 ALA 34 HB2 ALA 34 -0.711 27.870 -18.882 201 HB3 ALA 34 HB3 ALA 34 -1.743 28.961 -19.809 202 H THR 35 HN THR 35 -2.813 25.740 -21.518 203 HA THR 35 HA THR 35 -4.909 27.477 -22.583 204 HB THR 35 HB THR 35 -4.104 26.434 -24.755 205 HG1 THR 35 HG1 THR 35 -2.080 25.452 -24.644 206 HG21 THR 35 HG21 THR 35 -3.525 28.734 -24.076 207 HG22 THR 35 HG22 THR 35 -2.153 27.957 -24.870 208 HG23 THR 35 HG23 THR 35 -2.186 28.112 -23.114 209 H ARG 36 HN ARG 36 -5.032 24.786 -20.942 210 HA ARG 36 HA ARG 36 -6.139 22.940 -22.760 211 HB2 ARG 36 HB2 ARG 36 -6.501 21.479 -20.922 212 HB3 ARG 36 HB1 ARG 36 -5.076 22.376 -20.558 213 HG2 ARG 36 HG2 ARG 36 -7.783 22.861 -19.292 214 HG3 ARG 36 HG1 ARG 36 -6.449 21.992 -18.564 215 HD2 ARG 36 HD2 ARG 36 -6.339 24.081 -17.536 216 HD3 ARG 36 HD1 ARG 36 -5.171 24.255 -18.846 217 HE ARG 36 HE ARG 36 -7.579 25.103 -19.850 218 HH11 ARG 36 HH11 ARG 36 -5.377 26.228 -17.279 219 HH12 ARG 36 HH12 ARG 36 -6.008 27.813 -17.304 220 HH21 ARG 36 HH21 ARG 36 -8.372 27.277 -19.840 221 HH22 ARG 36 HH22 ARG 36 -7.695 28.408 -18.755 222 H VAL 37 HN VAL 37 -8.182 22.596 -23.491 223 HA VAL 37 HA VAL 37 -9.998 24.815 -22.977 224 HB VAL 37 HB VAL 37 -10.214 22.573 -25.009 225 HG11 VAL 37 HG11 VAL 37 -12.376 23.553 -24.484 226 HG12 VAL 37 HG12 VAL 37 -11.870 23.971 -26.120 227 HG13 VAL 37 HG13 VAL 37 -11.745 25.164 -24.828 228 HG21 VAL 37 HG21 VAL 37 -9.491 24.242 -26.660 229 HG22 VAL 37 HG22 VAL 37 -8.251 23.942 -25.441 230 HG23 VAL 37 HG23 VAL 37 -9.230 25.406 -25.362 231 H LEU 38 HN LEU 38 -11.693 24.639 -21.711 232 HA LEU 38 HA LEU 38 -12.262 22.294 -20.258 233 HB2 LEU 38 HB2 LEU 38 -12.649 24.584 -19.398 234 HB3 LEU 38 HB1 LEU 38 -13.842 24.862 -20.635 235 HG LEU 38 HG LEU 38 -14.726 24.529 -18.296 236 HD11 LEU 38 HD11 LEU 38 -16.215 24.268 -20.171 237 HD12 LEU 38 HD12 LEU 38 -16.606 23.115 -18.892 238 HD13 LEU 38 HD13 LEU 38 -15.747 22.577 -20.336 239 HD21 LEU 38 HD21 LEU 38 -13.909 21.685 -18.776 240 HD22 LEU 38 HD22 LEU 38 -14.893 22.274 -17.437 241 HD23 LEU 38 HD23 LEU 38 -13.213 22.790 -17.594 242 H LEU 39 HN LEU 39 -13.407 20.576 -20.920 243 HA LEU 39 HA LEU 39 -15.074 20.899 -23.279 244 HB2 LEU 39 HB2 LEU 39 -13.977 18.404 -21.994 245 HB3 LEU 39 HB1 LEU 39 -15.036 18.417 -23.389 246 HG LEU 39 HG LEU 39 -12.249 19.582 -23.284 247 HD11 LEU 39 HD11 LEU 39 -11.687 17.760 -24.810 248 HD12 LEU 39 HD12 LEU 39 -13.325 17.127 -24.650 249 HD13 LEU 39 HD13 LEU 39 -12.251 17.162 -23.251 250 HD21 LEU 39 HD21 LEU 39 -14.206 19.358 -25.576 251 HD22 LEU 39 HD22 LEU 39 -12.528 19.865 -25.720 252 HD23 LEU 39 HD23 LEU 39 -13.665 20.853 -24.811 253 H MET 40 HN MET 40 -15.267 19.122 -20.115 254 HA MET 40 HA MET 40 -17.824 20.030 -19.470 255 HB2 MET 40 HB2 MET 40 -19.190 18.063 -19.929 256 HB3 MET 40 HB1 MET 40 -18.637 18.844 -21.415 257 HG2 MET 40 HG2 MET 40 -16.903 17.134 -21.622 258 HG3 MET 40 HG1 MET 40 -17.524 16.398 -20.144 259 HE1 MET 40 HE1 MET 40 -21.080 15.167 -21.281 260 HE2 MET 40 HE2 MET 40 -20.701 16.710 -20.527 261 HE3 MET 40 HE3 MET 40 -19.917 15.233 -19.958 262 H TYR 41 HN TYR 41 -18.849 18.831 -17.861 263 HA TYR 41 HA TYR 41 -16.921 17.576 -16.044 264 HB2 TYR 41 HB2 TYR 41 -19.576 18.948 -15.535 265 HB3 TYR 41 HB1 TYR 41 -18.547 18.221 -14.298 266 HD1 TYR 41 HD2 TYR 41 -18.722 20.956 -16.818 267 HD2 TYR 41 HD1 TYR 41 -16.804 19.487 -13.317 268 HE1 TYR 41 HE2 TYR 41 -17.592 23.108 -16.546 269 HE2 TYR 41 HE1 TYR 41 -15.671 21.648 -13.038 270 HH TYR 41 HH TYR 41 -16.599 24.403 -14.763 271 H VAL 42 HN VAL 42 -17.311 15.519 -15.435 272 HA VAL 42 HA VAL 42 -19.849 14.263 -16.288 273 HB VAL 42 HB VAL 42 -17.125 12.954 -15.988 274 HG11 VAL 42 HG11 VAL 42 -18.929 11.402 -15.449 275 HG12 VAL 42 HG12 VAL 42 -18.183 10.967 -16.987 276 HG13 VAL 42 HG13 VAL 42 -19.740 11.796 -16.962 277 HG21 VAL 42 HG21 VAL 42 -17.209 12.697 -18.430 278 HG22 VAL 42 HG22 VAL 42 -17.217 14.392 -17.941 279 HG23 VAL 42 HG23 VAL 42 -18.710 13.623 -18.465 280 H ARG 43 HN ARG 43 -21.043 13.304 -14.751 281 HA ARG 43 HA ARG 43 -20.483 13.691 -12.000 282 HB2 ARG 43 HB2 ARG 43 -22.759 13.760 -12.768 283 HB3 ARG 43 HB1 ARG 43 -22.628 12.161 -13.479 284 HG2 ARG 43 HG2 ARG 43 -23.941 11.967 -11.502 285 HG3 ARG 43 HG1 ARG 43 -22.372 11.241 -11.162 286 HD2 ARG 43 HD2 ARG 43 -23.055 12.557 -9.273 287 HD3 ARG 43 HD1 ARG 43 -21.696 13.361 -10.060 288 HE ARG 43 HE ARG 43 -24.019 14.402 -11.153 289 HH11 ARG 43 HH11 ARG 43 -22.466 14.357 -7.993 290 HH12 ARG 43 HH12 ARG 43 -23.099 15.870 -7.511 291 HH21 ARG 43 HH21 ARG 43 -24.897 16.429 -10.500 292 HH22 ARG 43 HH22 ARG 43 -24.516 17.087 -8.982 293 H ILE 44 HN ILE 44 -19.344 12.466 -10.721 294 HA ILE 44 HA ILE 44 -18.160 9.987 -11.279 295 HB ILE 44 HB ILE 44 -18.867 11.217 -8.595 296 HG12 ILE 44 HG12 ILE 44 -17.257 12.390 -10.061 297 HG13 ILE 44 HG11 ILE 44 -16.579 11.942 -8.488 298 HG21 ILE 44 HG21 ILE 44 -17.117 8.811 -9.124 299 HG22 ILE 44 HG22 ILE 44 -18.662 8.824 -8.265 300 HG23 ILE 44 HG23 ILE 44 -17.260 9.649 -7.580 301 HD11 ILE 44 HD11 ILE 44 -16.128 10.587 -11.144 302 HD12 ILE 44 HD12 ILE 44 -15.474 10.041 -9.599 303 HD13 ILE 44 HD13 ILE 44 -14.983 11.599 -10.263 304 H GLY 45 HN GLY 45 -19.030 8.131 -11.569 305 HA2 GLY 45 HA2 GLY 45 -20.341 6.291 -10.734 306 HA3 GLY 45 HA1 GLY 45 -21.514 7.469 -10.158 307 H THR 46 HN THR 46 -20.617 8.611 -13.100 308 HA THR 46 HA THR 46 -22.558 6.917 -14.544 309 HB THR 46 HB THR 46 -23.492 8.919 -15.637 310 HG1 THR 46 HG1 THR 46 -21.556 10.176 -14.080 311 HG21 THR 46 HG21 THR 46 -24.809 9.808 -13.752 312 HG22 THR 46 HG22 THR 46 -23.686 9.052 -12.623 313 HG23 THR 46 HG23 THR 46 -24.681 8.049 -13.683 314 H THR 47 HN THR 47 -22.446 7.118 -16.793 315 HA THR 47 HA THR 47 -19.745 7.611 -17.773 316 HB THR 47 HB THR 47 -20.708 6.542 -19.820 317 HG1 THR 47 HG1 THR 47 -22.767 6.024 -19.780 318 HG21 THR 47 HG21 THR 47 -20.632 4.892 -17.285 319 HG22 THR 47 HG22 THR 47 -19.266 5.253 -18.350 320 HG23 THR 47 HG23 THR 47 -20.576 4.220 -18.914 321 H ALA 48 HN ALA 48 -19.556 8.734 -19.701 322 HA ALA 48 HA ALA 48 -21.747 10.386 -20.620 323 HB1 ALA 48 HB1 ALA 48 -19.340 11.721 -19.403 324 HB2 ALA 48 HB2 ALA 48 -20.972 11.707 -18.723 325 HB3 ALA 48 HB3 ALA 48 -20.655 12.531 -20.249 326 H THR 49 HN THR 49 -21.358 11.414 -22.537 327 HA THR 49 HA THR 49 -19.207 10.223 -24.087 328 HB THR 49 HB THR 49 -21.509 11.895 -25.076 329 HG1 THR 49 HG1 THR 49 -21.455 9.065 -24.545 330 HG21 THR 49 HG21 THR 49 -21.146 10.647 -27.137 331 HG22 THR 49 HG22 THR 49 -19.881 9.699 -26.357 332 HG23 THR 49 HG23 THR 49 -19.648 11.429 -26.624 333 H ILE 50 HN ILE 50 -17.421 11.494 -24.181 334 HA ILE 50 HA ILE 50 -17.647 14.426 -24.107 335 HB ILE 50 HB ILE 50 -15.152 12.833 -24.594 336 HG12 ILE 50 HG12 ILE 50 -16.151 11.860 -22.553 337 HG13 ILE 50 HG11 ILE 50 -14.648 12.716 -22.194 338 HG21 ILE 50 HG21 ILE 50 -14.975 15.209 -24.916 339 HG22 ILE 50 HG22 ILE 50 -14.027 14.738 -23.506 340 HG23 ILE 50 HG23 ILE 50 -15.599 15.508 -23.293 341 HD11 ILE 50 HD11 ILE 50 -15.971 14.598 -21.349 342 HD12 ILE 50 HD12 ILE 50 -16.333 13.101 -20.491 343 HD13 ILE 50 HD13 ILE 50 -17.450 13.711 -21.712 344 H THR 51 HN THR 51 -17.216 15.554 -25.981 345 HA THR 51 HA THR 51 -16.633 13.918 -28.353 346 HB THR 51 HB THR 51 -18.496 16.306 -28.342 347 HG1 THR 51 HG1 THR 51 -19.092 14.283 -27.201 348 HG21 THR 51 HG21 THR 51 -17.418 15.823 -30.514 349 HG22 THR 51 HG22 THR 51 -19.144 15.459 -30.574 350 HG23 THR 51 HG23 THR 51 -17.971 14.152 -30.413 351 H ALA 52 HN ALA 52 -14.687 14.410 -29.012 352 HA ALA 52 HA ALA 52 -13.885 17.199 -29.228 353 HB1 ALA 52 HB1 ALA 52 -13.063 16.535 -27.037 354 HB2 ALA 52 HB2 ALA 52 -11.704 16.725 -28.148 355 HB3 ALA 52 HB3 ALA 52 -12.289 15.116 -27.729 356 H ARG 53 HN ARG 53 -12.584 17.572 -30.893 357 HA ARG 53 HA ARG 53 -11.767 17.399 -32.978 358 HB2 ARG 53 HB2 ARG 53 -10.887 14.646 -32.163 359 HB3 ARG 53 HB1 ARG 53 -10.293 15.547 -33.562 360 HG2 ARG 53 HG2 ARG 53 -9.435 17.246 -31.928 361 HG3 ARG 53 HG1 ARG 53 -9.852 16.075 -30.656 362 HD2 ARG 53 HD2 ARG 53 -7.843 15.804 -32.884 363 HD3 ARG 53 HD1 ARG 53 -7.601 15.694 -31.130 364 HE ARG 53 HE ARG 53 -9.399 13.714 -31.916 365 HH11 ARG 53 HH11 ARG 53 -5.910 14.362 -32.083 366 HH12 ARG 53 HH12 ARG 53 -5.503 12.760 -32.487 367 HH21 ARG 53 HH21 ARG 53 -8.799 11.484 -32.466 368 HH22 ARG 53 HH22 ARG 53 -7.164 11.111 -32.681 369 H GLY 54 HN GLY 54 -14.365 16.494 -32.343 370 HA2 GLY 54 HA2 GLY 54 -16.206 15.714 -33.565 371 HA3 GLY 54 HA1 GLY 54 -15.079 15.233 -34.842 372 H HIS 55 HN HIS 55 -14.051 13.889 -31.928 373 HA HIS 55 HA HIS 55 -15.317 11.347 -32.637 374 HB2 HIS 55 HB2 HIS 55 -12.859 11.905 -30.971 375 HB3 HIS 55 HB1 HIS 55 -13.532 10.304 -31.281 376 HD1 HIS 55 HD1 HIS 55 -13.459 9.678 -34.049 377 HD2 HIS 55 HD2 HIS 55 -10.935 12.651 -32.604 378 HE1 HIS 55 HE1 HIS 55 -11.651 9.949 -35.755 379 H GLU 56 HN GLU 56 -16.412 10.231 -31.147 380 HA GLU 56 HA GLU 56 -17.097 11.677 -28.715 381 HB2 GLU 56 HB2 GLU 56 -18.424 9.334 -30.069 382 HB3 GLU 56 HB1 GLU 56 -18.992 10.137 -28.603 383 HG2 GLU 56 HG2 GLU 56 -19.338 12.184 -29.846 384 HG3 GLU 56 HG1 GLU 56 -18.717 11.412 -31.306 385 H PHE 57 HN PHE 57 -16.176 11.028 -26.924 386 HA PHE 57 HA PHE 57 -15.021 8.354 -26.703 387 HB2 PHE 57 HB2 PHE 57 -14.435 10.890 -25.161 388 HB3 PHE 57 HB1 PHE 57 -13.591 9.349 -24.993 389 HD1 PHE 57 HD2 PHE 57 -12.128 8.557 -26.859 390 HD2 PHE 57 HD1 PHE 57 -13.887 12.434 -26.852 391 HE1 PHE 57 HE2 PHE 57 -10.532 9.281 -28.582 392 HE2 PHE 57 HE1 PHE 57 -12.298 13.160 -28.577 393 HZ PHE 57 HZ PHE 57 -10.622 11.593 -29.447 394 H GLU 58 HN GLU 58 -16.505 7.095 -25.671 395 HA GLU 58 HA GLU 58 -18.306 8.249 -23.707 396 HB2 GLU 58 HB2 GLU 58 -18.928 6.471 -25.382 397 HB3 GLU 58 HB1 GLU 58 -17.922 5.351 -24.458 398 HG2 GLU 58 HG2 GLU 58 -20.172 4.986 -23.821 399 HG3 GLU 58 HG1 GLU 58 -19.390 5.829 -22.486 400 H VAL 59 HN VAL 59 -17.491 8.592 -21.778 401 HA VAL 59 HA VAL 59 -15.317 6.869 -20.815 402 HB VAL 59 HB VAL 59 -14.548 8.748 -19.454 403 HG11 VAL 59 HG11 VAL 59 -13.824 10.286 -21.240 404 HG12 VAL 59 HG12 VAL 59 -14.951 9.492 -22.345 405 HG13 VAL 59 HG13 VAL 59 -13.606 8.588 -21.650 406 HG21 VAL 59 HG21 VAL 59 -16.796 10.341 -20.703 407 HG22 VAL 59 HG22 VAL 59 -15.519 11.000 -19.680 408 HG23 VAL 59 HG23 VAL 59 -16.683 9.855 -19.012 409 H GLU 60 HN GLU 60 -15.380 6.233 -18.683 410 HA GLU 60 HA GLU 60 -17.966 6.498 -17.312 411 HB2 GLU 60 HB2 GLU 60 -17.273 4.182 -17.898 412 HB3 GLU 60 HB1 GLU 60 -15.800 4.414 -16.950 413 HG2 GLU 60 HG2 GLU 60 -17.254 4.805 -14.950 414 HG3 GLU 60 HG1 GLU 60 -18.634 4.344 -15.938 415 H ALA 61 HN ALA 61 -17.915 7.910 -15.656 416 HA ALA 61 HA ALA 61 -15.374 8.547 -14.419 417 HB1 ALA 61 HB1 ALA 61 -18.149 9.564 -13.746 418 HB2 ALA 61 HB2 ALA 61 -16.995 10.366 -14.812 419 HB3 ALA 61 HB3 ALA 61 -16.634 10.195 -13.097 420 H LYS 62 HN LYS 62 -14.820 6.682 -13.550 421 HA LYS 62 HA LYS 62 -16.534 4.972 -12.022 422 HB2 LYS 62 HB2 LYS 62 -13.534 4.914 -12.144 423 HB3 LYS 62 HB1 LYS 62 -14.613 3.586 -11.754 424 HG2 LYS 62 HG2 LYS 62 -15.546 3.797 -14.021 425 HG3 LYS 62 HG1 LYS 62 -14.265 4.953 -14.394 426 HD2 LYS 62 HD2 LYS 62 -13.585 2.777 -15.203 427 HD3 LYS 62 HD1 LYS 62 -12.588 3.218 -13.817 428 HE2 LYS 62 HE2 LYS 62 -13.334 0.850 -13.803 429 HE3 LYS 62 HE1 LYS 62 -13.844 1.749 -12.376 430 HZ1 LYS 62 HZ1 LYS 62 -15.597 1.373 -14.738 431 HZ2 LYS 62 HZ2 LYS 62 -16.055 1.875 -13.221 432 HZ3 LYS 62 HZ3 LYS 62 -15.578 0.281 -13.474 433 H ASP 63 HN ASP 63 -13.682 6.803 -11.243 434 HA ASP 63 HA ASP 63 -14.493 6.866 -8.428 435 HB2 ASP 63 HB2 ASP 63 -12.922 5.042 -8.581 436 HB3 ASP 63 HB1 ASP 63 -11.801 6.017 -9.518 437 H GLN 64 HN GLN 64 -13.618 8.509 -7.253 438 HA GLN 64 HA GLN 64 -13.554 11.064 -8.388 439 HB2 GLN 64 HB2 GLN 64 -12.729 11.737 -6.090 440 HB3 GLN 64 HB1 GLN 64 -14.274 10.897 -6.183 441 HG2 GLN 64 HG2 GLN 64 -13.230 8.827 -5.511 442 HG3 GLN 64 HG1 GLN 64 -11.646 9.592 -5.545 443 HE21 GLN 64 HE21 GLN 64 -12.383 12.013 -4.258 444 HE22 GLN 64 HE22 GLN 64 -12.713 11.603 -2.613 445 H ASN 65 HN ASN 65 -11.000 8.856 -8.377 446 HA ASN 65 HA ASN 65 -8.791 10.678 -8.274 447 HB2 ASN 65 HB2 ASN 65 -8.711 8.140 -8.020 448 HB3 ASN 65 HB1 ASN 65 -8.977 8.032 -9.761 449 HD21 ASN 65 HD21 ASN 65 -6.793 7.071 -8.108 450 HD22 ASN 65 HD22 ASN 65 -5.352 7.792 -8.735 451 H CYS 66 HN CYS 66 -11.160 9.722 -10.575 452 HA CYS 66 HA CYS 66 -11.763 10.336 -12.588 453 HB2 CYS 66 HB2 CYS 66 -10.083 12.755 -11.974 454 HB3 CYS 66 HB1 CYS 66 -11.123 12.605 -13.404 455 H LYS 67 HN LYS 67 -9.443 8.646 -12.384 456 HA LYS 67 HA LYS 67 -7.916 9.093 -14.613 457 HB2 LYS 67 HB2 LYS 67 -7.499 7.467 -12.716 458 HB3 LYS 67 HB1 LYS 67 -8.767 6.474 -13.445 459 HG2 LYS 67 HG2 LYS 67 -6.459 5.720 -13.942 460 HG3 LYS 67 HG1 LYS 67 -7.437 6.071 -15.370 461 HD2 LYS 67 HD2 LYS 67 -6.126 8.303 -14.268 462 HD3 LYS 67 HD1 LYS 67 -4.921 7.111 -14.883 463 HE2 LYS 67 HE2 LYS 67 -6.267 7.106 -17.023 464 HE3 LYS 67 HE1 LYS 67 -7.253 8.363 -16.254 465 HZ1 LYS 67 HZ1 LYS 67 -5.321 9.857 -16.328 466 HZ2 LYS 67 HZ2 LYS 67 -5.532 9.240 -17.885 467 HZ3 LYS 67 HZ3 LYS 67 -4.330 8.620 -16.921 468 H VAL 68 HN VAL 68 -8.970 9.494 -16.421 469 HA VAL 68 HA VAL 68 -11.487 8.649 -17.139 470 HB VAL 68 HB VAL 68 -10.583 10.593 -18.162 471 HG11 VAL 68 HG11 VAL 68 -8.216 10.071 -18.098 472 HG12 VAL 68 HG12 VAL 68 -8.685 10.570 -19.722 473 HG13 VAL 68 HG13 VAL 68 -8.426 8.863 -19.363 474 HG21 VAL 68 HG21 VAL 68 -12.158 9.386 -19.550 475 HG22 VAL 68 HG22 VAL 68 -10.852 8.419 -20.228 476 HG23 VAL 68 HG23 VAL 68 -10.934 10.149 -20.567 477 H ILE 69 HN ILE 69 -12.213 6.737 -17.524 478 HA ILE 69 HA ILE 69 -10.679 4.938 -19.220 479 HB ILE 69 HB ILE 69 -12.280 4.144 -16.747 480 HG12 ILE 69 HG12 ILE 69 -9.359 3.754 -17.419 481 HG13 ILE 69 HG11 ILE 69 -9.993 5.026 -16.390 482 HG21 ILE 69 HG21 ILE 69 -11.690 1.820 -17.291 483 HG22 ILE 69 HG22 ILE 69 -10.916 2.364 -18.780 484 HG23 ILE 69 HG23 ILE 69 -12.659 2.549 -18.575 485 HD11 ILE 69 HD11 ILE 69 -9.032 3.177 -15.097 486 HD12 ILE 69 HD12 ILE 69 -10.161 2.055 -15.862 487 HD13 ILE 69 HD13 ILE 69 -10.761 3.324 -14.795 488 H LEU 70 HN LEU 70 -11.721 4.380 -20.889 489 HA LEU 70 HA LEU 70 -14.467 5.256 -21.250 490 HB2 LEU 70 HB2 LEU 70 -12.346 4.375 -23.127 491 HB3 LEU 70 HB1 LEU 70 -14.000 4.568 -23.673 492 HG LEU 70 HG LEU 70 -13.778 7.003 -23.010 493 HD11 LEU 70 HD11 LEU 70 -11.541 7.935 -22.812 494 HD12 LEU 70 HD12 LEU 70 -10.853 6.311 -22.845 495 HD13 LEU 70 HD13 LEU 70 -11.876 6.807 -21.496 496 HD21 LEU 70 HD21 LEU 70 -12.481 7.586 -25.009 497 HD22 LEU 70 HD22 LEU 70 -13.671 6.316 -25.305 498 HD23 LEU 70 HD23 LEU 70 -11.964 5.907 -25.141 499 H THR 71 HN THR 71 -15.871 3.996 -22.454 500 HA THR 71 HA THR 71 -16.422 1.487 -21.250 501 HB THR 71 HB THR 71 -18.301 1.415 -22.914 502 HG1 THR 71 HG1 THR 71 -18.479 3.074 -24.387 503 HG21 THR 71 HG21 THR 71 -19.452 3.419 -22.029 504 HG22 THR 71 HG22 THR 71 -17.903 4.044 -21.467 505 HG23 THR 71 HG23 THR 71 -18.568 2.573 -20.757 506 H ASN 72 HN ASN 72 -14.773 2.434 -24.049 507 HA ASN 72 HA ASN 72 -14.854 -0.196 -25.258 508 HB2 ASN 72 HB2 ASN 72 -13.601 2.384 -26.174 509 HB3 ASN 72 HB1 ASN 72 -13.323 0.845 -27.007 510 HD21 ASN 72 HD21 ASN 72 -15.596 3.425 -26.400 511 HD22 ASN 72 HD22 ASN 72 -16.791 2.888 -27.505 512 H GLY 73 HN GLY 73 -13.221 0.934 -22.722 513 HA2 GLY 73 HA2 GLY 73 -11.661 -0.271 -21.550 514 HA3 GLY 73 HA1 GLY 73 -11.263 -1.164 -23.026 515 H LYS 74 HN LYS 74 -11.451 2.198 -23.348 516 HA LYS 74 HA LYS 74 -8.588 2.217 -23.681 517 HB2 LYS 74 HB2 LYS 74 -10.683 4.144 -24.692 518 HB3 LYS 74 HB1 LYS 74 -8.956 4.283 -24.977 519 HG2 LYS 74 HG2 LYS 74 -10.732 2.035 -25.930 520 HG3 LYS 74 HG1 LYS 74 -10.115 3.360 -26.923 521 HD2 LYS 74 HD2 LYS 74 -7.821 2.600 -26.503 522 HD3 LYS 74 HD1 LYS 74 -8.434 1.301 -25.485 523 HE2 LYS 74 HE2 LYS 74 -7.908 0.399 -27.649 524 HE3 LYS 74 HE1 LYS 74 -9.653 0.399 -27.431 525 HZ1 LYS 74 HZ1 LYS 74 -8.150 2.455 -28.976 526 HZ2 LYS 74 HZ2 LYS 74 -9.823 2.342 -28.826 527 HZ3 LYS 74 HZ3 LYS 74 -8.971 1.141 -29.631 528 H GLN 75 HN GLN 75 -7.382 3.890 -22.812 529 HA GLN 75 HA GLN 75 -8.707 5.132 -20.519 530 HB2 GLN 75 HB2 GLN 75 -5.824 4.321 -20.837 531 HB3 GLN 75 HB1 GLN 75 -6.402 5.310 -19.495 532 HG2 GLN 75 HG2 GLN 75 -8.009 3.497 -18.941 533 HG3 GLN 75 HG1 GLN 75 -7.257 2.512 -20.187 534 HE21 GLN 75 HE21 GLN 75 -6.866 3.973 -17.085 535 HE22 GLN 75 HE22 GLN 75 -5.493 3.054 -16.592 536 H ALA 76 HN ALA 76 -8.599 6.052 -23.189 537 HA ALA 76 HA ALA 76 -8.877 8.052 -24.188 538 HB1 ALA 76 HB1 ALA 76 -7.967 9.297 -21.604 539 HB2 ALA 76 HB2 ALA 76 -9.638 8.929 -22.040 540 HB3 ALA 76 HB3 ALA 76 -8.729 10.143 -22.945 541 HA PRO 77 HA PRO 77 -4.989 9.269 -26.034 542 HB2 PRO 77 HB2 PRO 77 -5.719 11.777 -26.803 543 HB3 PRO 77 HB1 PRO 77 -6.194 10.301 -27.678 544 HG2 PRO 77 HG2 PRO 77 -7.761 11.905 -25.739 545 HG3 PRO 77 HG1 PRO 77 -8.265 11.197 -27.296 546 HD2 PRO 77 HD2 PRO 77 -8.904 10.036 -25.018 547 HD3 PRO 77 HD1 PRO 77 -8.414 9.076 -26.438 548 H ASP 78 HN ASP 78 -3.301 10.753 -25.788 549 HA ASP 78 HA ASP 78 -2.800 11.436 -23.093 550 HB2 ASP 78 HB2 ASP 78 -0.606 12.076 -23.831 551 HB3 ASP 78 HB1 ASP 78 -1.086 10.640 -24.719 552 H TRP 79 HN TRP 79 -4.465 13.141 -25.404 553 HA TRP 79 HA TRP 79 -3.666 15.722 -24.326 554 HB2 TRP 79 HB2 TRP 79 -4.873 16.644 -26.333 555 HB3 TRP 79 HB1 TRP 79 -3.474 15.632 -26.702 556 HD1 TRP 79 HD1 TRP 79 -3.890 13.555 -28.103 557 HE1 TRP 79 HE1 TRP 79 -5.920 12.612 -29.392 558 HE3 TRP 79 HE3 TRP 79 -7.538 16.461 -26.064 559 HZ2 TRP 79 HZ2 TRP 79 -8.693 13.044 -29.493 560 HZ3 TRP 79 HZ3 TRP 79 -9.857 16.134 -26.800 561 HH2 TRP 79 HH2 TRP 79 -10.417 14.454 -28.482 562 H LEU 80 HN LEU 80 -6.042 13.396 -23.963 563 HA LEU 80 HA LEU 80 -8.079 15.355 -23.288 564 HB2 LEU 80 HB2 LEU 80 -8.797 13.411 -24.612 565 HB3 LEU 80 HB1 LEU 80 -8.203 12.330 -23.349 566 HG LEU 80 HG LEU 80 -9.905 13.199 -21.821 567 HD11 LEU 80 HD11 LEU 80 -10.162 15.445 -22.697 568 HD12 LEU 80 HD12 LEU 80 -11.723 14.624 -22.686 569 HD13 LEU 80 HD13 LEU 80 -10.834 14.808 -24.197 570 HD21 LEU 80 HD21 LEU 80 -11.001 12.236 -24.461 571 HD22 LEU 80 HD22 LEU 80 -11.880 12.234 -22.936 572 HD23 LEU 80 HD23 LEU 80 -10.450 11.224 -23.125 573 H ALA 81 HN ALA 81 -8.167 16.059 -21.306 574 HA ALA 81 HA ALA 81 -6.722 14.528 -19.261 575 HB1 ALA 81 HB1 ALA 81 -7.083 17.508 -19.477 576 HB2 ALA 81 HB2 ALA 81 -5.612 16.611 -19.852 577 HB3 ALA 81 HB3 ALA 81 -6.223 16.659 -18.198 578 H ALA 82 HN ALA 82 -7.608 14.333 -17.274 579 HA ALA 82 HA ALA 82 -10.253 15.466 -16.795 580 HB1 ALA 82 HB1 ALA 82 -11.017 13.332 -15.868 581 HB2 ALA 82 HB2 ALA 82 -9.482 12.583 -16.307 582 HB3 ALA 82 HB3 ALA 82 -10.576 13.160 -17.566 583 H GLU 83 HN GLU 83 -10.429 16.319 -14.831 584 HA GLU 83 HA GLU 83 -8.466 15.638 -12.787 585 HB2 GLU 83 HB2 GLU 83 -9.380 18.430 -13.547 586 HB3 GLU 83 HB1 GLU 83 -8.329 18.043 -12.193 587 HG2 GLU 83 HG2 GLU 83 -6.664 17.141 -13.782 588 HG3 GLU 83 HG1 GLU 83 -7.705 17.627 -15.114 589 HA PRO 84 HA PRO 84 -12.063 14.998 -10.294 590 HB2 PRO 84 HB2 PRO 84 -10.952 15.465 -7.833 591 HB3 PRO 84 HB1 PRO 84 -10.649 13.990 -8.772 592 HG2 PRO 84 HG2 PRO 84 -9.004 16.456 -8.560 593 HG3 PRO 84 HG1 PRO 84 -8.502 14.752 -8.445 594 HD2 PRO 84 HD2 PRO 84 -8.127 16.034 -10.718 595 HD3 PRO 84 HD1 PRO 84 -8.784 14.372 -10.674 596 H TYR 85 HN TYR 85 -13.788 16.252 -9.960 597 HA TYR 85 HA TYR 85 -13.334 18.993 -9.194 598 HB2 TYR 85 HB2 TYR 85 -14.374 18.820 -11.358 599 HB3 TYR 85 HB1 TYR 85 -15.631 17.768 -10.702 600 HD1 TYR 85 HD1 TYR 85 -14.351 21.228 -10.836 601 HD2 TYR 85 HD2 TYR 85 -17.530 18.721 -9.542 602 HE1 TYR 85 HE1 TYR 85 -15.754 23.212 -10.414 603 HE2 TYR 85 HE2 TYR 85 -18.927 20.677 -9.131 604 HH TYR 85 HH TYR 85 -18.114 23.780 -10.236 Start of MODEL 3 1 H SER 7 HT1 SER 7 3.648 4.287 -12.976 2 HA SER 7 HA SER 7 3.365 7.170 -13.413 3 HB2 SER 7 HB2 SER 7 3.761 5.769 -15.494 4 HB3 SER 7 HB1 SER 7 2.320 4.843 -15.051 5 HG SER 7 HG SER 7 2.525 7.244 -16.282 6 H GLY 8 HN GLY 8 1.114 7.829 -13.192 7 HA2 GLY 8 HA2 GLY 8 -1.036 7.580 -12.363 8 HA3 GLY 8 HA1 GLY 8 -0.630 5.946 -11.842 9 H ARG 9 HN ARG 9 -1.907 7.164 -10.001 10 HA ARG 9 HA ARG 9 0.150 8.169 -8.177 11 HB2 ARG 9 HB2 ARG 9 -2.671 9.128 -8.495 12 HB3 ARG 9 HB1 ARG 9 -1.667 9.527 -7.105 13 HG2 ARG 9 HG2 ARG 9 -0.050 10.603 -8.556 14 HG3 ARG 9 HG1 ARG 9 -1.016 10.172 -9.971 15 HD2 ARG 9 HD2 ARG 9 -1.467 12.459 -9.345 16 HD3 ARG 9 HD1 ARG 9 -2.853 11.392 -9.055 17 HE ARG 9 HE ARG 9 -1.230 11.669 -6.745 18 HH11 ARG 9 HH11 ARG 9 -3.780 13.291 -8.585 19 HH12 ARG 9 HH12 ARG 9 -4.429 14.125 -7.261 20 HH21 ARG 9 HH21 ARG 9 -2.113 12.784 -4.905 21 HH22 ARG 9 HH22 ARG 9 -3.458 13.819 -5.084 22 H GLU 10 HN GLU 10 -0.764 5.484 -8.533 23 HA GLU 10 HA GLU 10 -2.368 5.038 -6.158 24 HB2 GLU 10 HB2 GLU 10 -1.608 3.198 -8.403 25 HB3 GLU 10 HB1 GLU 10 -2.442 2.657 -6.954 26 HG2 GLU 10 HG2 GLU 10 -4.270 4.209 -7.440 27 HG3 GLU 10 HG1 GLU 10 -3.433 4.705 -8.909 28 H ASN 11 HN ASN 11 0.458 5.643 -6.488 29 HA ASN 11 HA ASN 11 1.795 3.543 -4.941 30 HB2 ASN 11 HB2 ASN 11 3.093 4.954 -6.583 31 HB3 ASN 11 HB1 ASN 11 2.780 6.359 -5.576 32 HD21 ASN 11 HD21 ASN 11 4.598 3.433 -5.922 33 HD22 ASN 11 HD22 ASN 11 5.713 3.715 -4.650 34 H LEU 12 HN LEU 12 0.107 6.471 -4.588 35 HA LEU 12 HA LEU 12 0.441 6.738 -1.715 36 HB2 LEU 12 HB2 LEU 12 0.207 8.731 -3.125 37 HB3 LEU 12 HB1 LEU 12 -1.336 8.130 -3.716 38 HG LEU 12 HG LEU 12 -2.061 8.137 -1.305 39 HD11 LEU 12 HD11 LEU 12 0.351 9.883 -0.991 40 HD12 LEU 12 HD12 LEU 12 0.045 8.326 -0.217 41 HD13 LEU 12 HD13 LEU 12 -0.954 9.723 0.184 42 HD21 LEU 12 HD21 LEU 12 -1.502 10.774 -2.660 43 HD22 LEU 12 HD22 LEU 12 -2.674 10.518 -1.365 44 HD23 LEU 12 HD23 LEU 12 -2.905 9.739 -2.928 45 H TYR 13 HN TYR 13 -0.496 5.120 -0.659 46 HA TYR 13 HA TYR 13 -2.913 3.913 -1.526 47 HB2 TYR 13 HB2 TYR 13 -1.699 3.970 1.258 48 HB3 TYR 13 HB1 TYR 13 -2.993 2.906 0.722 49 HD1 TYR 13 HD2 TYR 13 -2.440 1.307 -1.237 50 HD2 TYR 13 HD1 TYR 13 0.511 3.290 1.092 51 HE1 TYR 13 HE2 TYR 13 -0.767 -0.352 -1.949 52 HE2 TYR 13 HE1 TYR 13 2.184 1.646 0.388 53 HH TYR 13 HH TYR 13 2.249 -0.655 -0.441 54 H PHE 14 HN PHE 14 -4.783 4.848 -1.513 55 HA PHE 14 HA PHE 14 -5.249 7.414 -0.635 56 HB2 PHE 14 HB2 PHE 14 -7.281 5.249 -1.209 57 HB3 PHE 14 HB1 PHE 14 -7.648 6.967 -1.079 58 HD1 PHE 14 HD2 PHE 14 -6.722 8.558 -2.744 59 HD2 PHE 14 HD1 PHE 14 -6.315 4.344 -3.193 60 HE1 PHE 14 HE2 PHE 14 -6.128 8.871 -5.113 61 HE2 PHE 14 HE1 PHE 14 -5.717 4.649 -5.557 62 HZ PHE 14 HZ PHE 14 -5.621 6.912 -6.522 63 H GLN 15 HN GLN 15 -6.038 8.325 1.100 64 HA GLN 15 HA GLN 15 -5.577 6.856 3.471 65 HB2 GLN 15 HB2 GLN 15 -6.090 9.784 3.029 66 HB3 GLN 15 HB1 GLN 15 -5.689 9.051 4.576 67 HG2 GLN 15 HG2 GLN 15 -3.570 8.234 3.610 68 HG3 GLN 15 HG1 GLN 15 -3.960 9.071 2.115 69 HE21 GLN 15 HE21 GLN 15 -2.965 9.390 5.385 70 HE22 GLN 15 HE22 GLN 15 -2.488 11.042 5.325 71 H GLY 16 HN GLY 16 -7.192 5.587 3.402 72 HA2 GLY 16 HA2 GLY 16 -8.927 4.957 4.963 73 HA3 GLY 16 HA1 GLY 16 -9.485 6.624 4.933 74 H HIS 17 HN HIS 17 -11.509 5.261 4.679 75 HA HIS 17 HA HIS 17 -12.062 4.253 2.053 76 HB2 HIS 17 HB2 HIS 17 -13.238 3.444 4.076 77 HB3 HIS 17 HB1 HIS 17 -13.905 5.050 4.318 78 HD1 HIS 17 HD1 HIS 17 -16.225 5.316 3.441 79 HD2 HIS 17 HD2 HIS 17 -14.149 2.295 1.504 80 HE1 HIS 17 HE1 HIS 17 -17.880 4.212 1.900 81 H MET 18 HN MET 18 -12.073 5.634 0.434 82 HA MET 18 HA MET 18 -12.371 8.437 0.947 83 HB2 MET 18 HB2 MET 18 -10.718 7.438 -0.730 84 HB3 MET 18 HB1 MET 18 -12.142 7.168 -1.737 85 HG2 MET 18 HG2 MET 18 -10.992 9.176 -2.365 86 HG3 MET 18 HG1 MET 18 -12.646 9.486 -1.832 87 HE1 MET 18 HE1 MET 18 -9.429 8.784 0.391 88 HE2 MET 18 HE2 MET 18 -8.854 10.428 0.658 89 HE3 MET 18 HE3 MET 18 -8.822 9.738 -0.962 90 H ALA 19 HN ALA 19 -14.421 8.838 1.488 91 HA ALA 19 HA ALA 19 -16.524 8.243 -0.336 92 HB1 ALA 19 HB1 ALA 19 -16.314 10.315 1.876 93 HB2 ALA 19 HB2 ALA 19 -17.050 8.719 2.029 94 HB3 ALA 19 HB3 ALA 19 -17.792 9.939 0.992 95 H ALA 20 HN ALA 20 -16.373 9.107 -2.304 96 HA ALA 20 HA ALA 20 -14.410 10.769 -3.119 97 HB1 ALA 20 HB1 ALA 20 -15.619 10.999 -5.235 98 HB2 ALA 20 HB2 ALA 20 -17.078 10.368 -4.467 99 HB3 ALA 20 HB3 ALA 20 -15.652 9.343 -4.634 100 HA PRO 21 HA PRO 21 -16.150 14.727 -1.741 101 HB2 PRO 21 HB2 PRO 21 -13.870 16.174 -2.023 102 HB3 PRO 21 HB1 PRO 21 -14.120 15.086 -0.635 103 HG2 PRO 21 HG2 PRO 21 -12.480 14.679 -3.062 104 HG3 PRO 21 HG1 PRO 21 -12.177 14.170 -1.392 105 HD2 PRO 21 HD2 PRO 21 -13.129 12.499 -3.366 106 HD3 PRO 21 HD1 PRO 21 -13.352 12.239 -1.628 107 H ALA 22 HN ALA 22 -14.636 13.827 -4.635 108 HA ALA 22 HA ALA 22 -15.277 16.252 -6.069 109 HB1 ALA 22 HB1 ALA 22 -13.238 15.028 -6.665 110 HB2 ALA 22 HB2 ALA 22 -14.367 15.064 -8.021 111 HB3 ALA 22 HB3 ALA 22 -14.202 13.601 -7.051 112 H ARG 23 HN ARG 23 -16.963 16.471 -7.340 113 HA ARG 23 HA ARG 23 -19.062 14.412 -7.144 114 HB2 ARG 23 HB2 ARG 23 -19.161 17.283 -8.026 115 HB3 ARG 23 HB1 ARG 23 -20.533 16.194 -8.091 116 HG2 ARG 23 HG2 ARG 23 -20.495 15.959 -5.688 117 HG3 ARG 23 HG1 ARG 23 -19.054 16.975 -5.592 118 HD2 ARG 23 HD2 ARG 23 -21.701 17.842 -6.732 119 HD3 ARG 23 HD1 ARG 23 -21.148 18.205 -5.100 120 HE ARG 23 HE ARG 23 -19.222 19.317 -6.212 121 HH11 ARG 23 HH11 ARG 23 -22.368 19.148 -7.822 122 HH12 ARG 23 HH12 ARG 23 -22.100 20.554 -8.754 123 HH21 ARG 23 HH21 ARG 23 -18.925 21.265 -7.468 124 HH22 ARG 23 HH22 ARG 23 -20.137 21.749 -8.567 125 H PHE 24 HN PHE 24 -17.008 16.053 -9.337 126 HA PHE 24 HA PHE 24 -17.905 14.379 -11.559 127 HB2 PHE 24 HB2 PHE 24 -17.345 17.350 -11.757 128 HB3 PHE 24 HB1 PHE 24 -17.770 16.262 -13.076 129 HD1 PHE 24 HD2 PHE 24 -20.090 15.509 -13.314 130 HD2 PHE 24 HD1 PHE 24 -18.947 18.340 -10.360 131 HE1 PHE 24 HE2 PHE 24 -22.431 16.202 -13.075 132 HE2 PHE 24 HE1 PHE 24 -21.285 19.040 -10.117 133 HZ PHE 24 HZ PHE 24 -23.032 17.970 -11.476 134 H CYS 25 HN CYS 25 -16.199 14.277 -13.129 135 HA CYS 25 HA CYS 25 -13.709 15.576 -12.334 136 HB2 CYS 25 HB2 CYS 25 -14.211 13.171 -14.138 137 HB3 CYS 25 HB1 CYS 25 -12.663 14.015 -14.048 138 H VAL 26 HN VAL 26 -13.094 17.173 -13.639 139 HA VAL 26 HA VAL 26 -14.896 17.849 -15.833 140 HB VAL 26 HB VAL 26 -12.777 19.528 -14.451 141 HG11 VAL 26 HG11 VAL 26 -13.810 21.403 -15.615 142 HG12 VAL 26 HG12 VAL 26 -14.909 20.294 -16.437 143 HG13 VAL 26 HG13 VAL 26 -13.177 20.222 -16.764 144 HG21 VAL 26 HG21 VAL 26 -15.769 19.625 -14.256 145 HG22 VAL 26 HG22 VAL 26 -14.620 20.645 -13.377 146 HG23 VAL 26 HG23 VAL 26 -14.691 18.902 -13.075 147 H TYR 27 HN TYR 27 -14.327 17.663 -17.837 148 HA TYR 27 HA TYR 27 -11.592 16.838 -18.389 149 HB2 TYR 27 HB2 TYR 27 -14.136 16.418 -19.935 150 HB3 TYR 27 HB1 TYR 27 -12.521 16.089 -20.575 151 HD1 TYR 27 HD1 TYR 27 -14.721 15.240 -17.679 152 HD2 TYR 27 HD2 TYR 27 -11.549 14.054 -20.217 153 HE1 TYR 27 HE1 TYR 27 -14.693 13.033 -16.598 154 HE2 TYR 27 HE2 TYR 27 -11.512 11.849 -19.161 155 HH TYR 27 HH TYR 27 -13.985 10.749 -17.120 156 H TYR 28 HN TYR 28 -10.386 17.654 -19.917 157 HA TYR 28 HA TYR 28 -11.238 20.136 -21.223 158 HB2 TYR 28 HB2 TYR 28 -8.628 19.680 -19.792 159 HB3 TYR 28 HB1 TYR 28 -9.040 21.093 -20.763 160 HD1 TYR 28 HD2 TYR 28 -9.551 19.325 -17.593 161 HD2 TYR 28 HD1 TYR 28 -10.405 22.829 -19.829 162 HE1 TYR 28 HE2 TYR 28 -10.279 20.449 -15.542 163 HE2 TYR 28 HE1 TYR 28 -11.127 23.967 -17.794 164 HH TYR 28 HH TYR 28 -10.472 22.666 -14.721 165 H ASP 29 HN ASP 29 -10.237 20.476 -23.145 166 HA ASP 29 HA ASP 29 -8.799 18.285 -24.441 167 HB2 ASP 29 HB2 ASP 29 -10.539 19.439 -25.741 168 HB3 ASP 29 HB1 ASP 29 -9.736 20.985 -25.448 169 H GLY 30 HN GLY 30 -6.706 18.257 -23.771 170 HA2 GLY 30 HA2 GLY 30 -4.626 19.322 -24.595 171 HA3 GLY 30 HA1 GLY 30 -5.195 20.807 -23.837 172 H HIS 31 HN HIS 31 -2.862 19.165 -23.451 173 HA HIS 31 HA HIS 31 -3.153 18.028 -20.787 174 HB2 HIS 31 HB2 HIS 31 -1.911 16.913 -22.698 175 HB3 HIS 31 HB1 HIS 31 -0.704 18.198 -22.549 176 HD1 HIS 31 HD1 HIS 31 1.203 17.649 -20.991 177 HD2 HIS 31 HD2 HIS 31 -2.237 15.482 -20.285 178 HE1 HIS 31 HE1 HIS 31 1.830 15.982 -19.228 179 H LEU 32 HN LEU 32 -2.555 20.975 -22.151 180 HA LEU 32 HA LEU 32 -0.626 21.789 -20.117 181 HB2 LEU 32 HB2 LEU 32 -1.145 22.799 -22.872 182 HB3 LEU 32 HB1 LEU 32 -0.528 23.917 -21.676 183 HG LEU 32 HG LEU 32 1.446 22.521 -21.361 184 HD11 LEU 32 HD11 LEU 32 0.375 20.824 -23.612 185 HD12 LEU 32 HD12 LEU 32 0.490 20.333 -21.924 186 HD13 LEU 32 HD13 LEU 32 1.957 20.663 -22.847 187 HD21 LEU 32 HD21 LEU 32 2.489 22.948 -23.526 188 HD22 LEU 32 HD22 LEU 32 1.514 24.311 -22.973 189 HD23 LEU 32 HD23 LEU 32 0.899 23.230 -24.226 190 HA PRO 33 HA PRO 33 -3.881 23.847 -18.022 191 HB2 PRO 33 HB2 PRO 33 -2.310 25.398 -16.395 192 HB3 PRO 33 HB1 PRO 33 -2.626 23.678 -16.101 193 HG2 PRO 33 HG2 PRO 33 -0.251 24.956 -17.324 194 HG3 PRO 33 HG1 PRO 33 -0.342 23.590 -16.193 195 HD2 PRO 33 HD2 PRO 33 0.067 23.230 -18.819 196 HD3 PRO 33 HD1 PRO 33 -0.864 22.075 -17.835 197 H ALA 34 HN ALA 34 -1.471 25.495 -19.868 198 HA ALA 34 HA ALA 34 -2.801 28.070 -19.621 199 HB1 ALA 34 HB1 ALA 34 -1.082 28.892 -21.147 200 HB2 ALA 34 HB2 ALA 34 -0.492 27.244 -21.362 201 HB3 ALA 34 HB3 ALA 34 -0.381 28.022 -19.785 202 H THR 35 HN THR 35 -3.194 25.320 -21.574 203 HA THR 35 HA THR 35 -4.314 26.987 -23.750 204 HB THR 35 HB THR 35 -3.263 24.202 -24.151 205 HG1 THR 35 HG1 THR 35 -1.843 26.676 -24.094 206 HG21 THR 35 HG21 THR 35 -2.892 25.053 -26.431 207 HG22 THR 35 HG22 THR 35 -3.513 26.631 -25.944 208 HG23 THR 35 HG23 THR 35 -4.580 25.226 -25.952 209 H ARG 36 HN ARG 36 -4.878 24.356 -21.550 210 HA ARG 36 HA ARG 36 -6.538 22.776 -23.048 211 HB2 ARG 36 HB2 ARG 36 -6.869 21.461 -21.161 212 HB3 ARG 36 HB1 ARG 36 -5.394 22.285 -20.842 213 HG2 ARG 36 HG2 ARG 36 -8.047 23.017 -19.603 214 HG3 ARG 36 HG1 ARG 36 -6.790 22.067 -18.842 215 HD2 ARG 36 HD2 ARG 36 -6.351 24.092 -17.895 216 HD3 ARG 36 HD1 ARG 36 -5.377 24.264 -19.357 217 HE ARG 36 HE ARG 36 -7.510 25.366 -20.262 218 HH11 ARG 36 HH11 ARG 36 -6.428 25.648 -16.881 219 HH12 ARG 36 HH12 ARG 36 -7.120 27.192 -16.666 220 HH21 ARG 36 HH21 ARG 36 -8.463 27.512 -19.914 221 HH22 ARG 36 HH22 ARG 36 -8.301 28.239 -18.390 222 H VAL 37 HN VAL 37 -8.544 22.609 -23.582 223 HA VAL 37 HA VAL 37 -10.268 24.925 -23.061 224 HB VAL 37 HB VAL 37 -10.660 22.683 -25.061 225 HG11 VAL 37 HG11 VAL 37 -12.736 23.804 -24.507 226 HG12 VAL 37 HG12 VAL 37 -12.245 24.203 -26.154 227 HG13 VAL 37 HG13 VAL 37 -12.007 25.372 -24.856 228 HG21 VAL 37 HG21 VAL 37 -8.622 23.904 -25.579 229 HG22 VAL 37 HG22 VAL 37 -9.502 25.433 -25.505 230 HG23 VAL 37 HG23 VAL 37 -9.874 24.262 -26.770 231 H LEU 38 HN LEU 38 -11.894 24.761 -21.697 232 HA LEU 38 HA LEU 38 -12.562 22.515 -20.181 233 HB2 LEU 38 HB2 LEU 38 -12.972 24.831 -19.482 234 HB3 LEU 38 HB1 LEU 38 -14.082 25.069 -20.801 235 HG LEU 38 HG LEU 38 -15.100 24.921 -18.509 236 HD11 LEU 38 HD11 LEU 38 -16.072 22.867 -20.475 237 HD12 LEU 38 HD12 LEU 38 -16.522 24.574 -20.422 238 HD13 LEU 38 HD13 LEU 38 -16.986 23.494 -19.104 239 HD21 LEU 38 HD21 LEU 38 -15.384 22.731 -17.499 240 HD22 LEU 38 HD22 LEU 38 -13.682 23.192 -17.596 241 HD23 LEU 38 HD23 LEU 38 -14.349 22.027 -18.739 242 H LEU 39 HN LEU 39 -13.785 20.735 -20.701 243 HA LEU 39 HA LEU 39 -15.385 20.945 -23.139 244 HB2 LEU 39 HB2 LEU 39 -14.288 18.497 -21.776 245 HB3 LEU 39 HB1 LEU 39 -15.281 18.482 -23.216 246 HG LEU 39 HG LEU 39 -12.510 19.666 -22.992 247 HD11 LEU 39 HD11 LEU 39 -13.501 17.188 -24.376 248 HD12 LEU 39 HD12 LEU 39 -12.503 17.252 -22.921 249 HD13 LEU 39 HD13 LEU 39 -11.863 17.833 -24.458 250 HD21 LEU 39 HD21 LEU 39 -13.854 20.905 -24.606 251 HD22 LEU 39 HD22 LEU 39 -14.340 19.397 -25.378 252 HD23 LEU 39 HD23 LEU 39 -12.656 19.915 -25.435 253 H MET 40 HN MET 40 -15.617 19.140 -19.987 254 HA MET 40 HA MET 40 -18.265 19.946 -19.407 255 HB2 MET 40 HB2 MET 40 -19.517 17.940 -20.004 256 HB3 MET 40 HB1 MET 40 -18.877 18.748 -21.441 257 HG2 MET 40 HG2 MET 40 -17.040 17.105 -21.457 258 HG3 MET 40 HG1 MET 40 -17.825 16.322 -20.085 259 HE1 MET 40 HE1 MET 40 -18.089 17.278 -23.865 260 HE2 MET 40 HE2 MET 40 -19.597 17.963 -23.248 261 HE3 MET 40 HE3 MET 40 -19.633 16.580 -24.336 262 H TYR 41 HN TYR 41 -19.315 18.720 -17.822 263 HA TYR 41 HA TYR 41 -17.429 17.732 -15.791 264 HB2 TYR 41 HB2 TYR 41 -20.389 18.316 -15.610 265 HB3 TYR 41 HB1 TYR 41 -19.319 17.914 -14.273 266 HD1 TYR 41 HD2 TYR 41 -17.762 19.659 -13.415 267 HD2 TYR 41 HD1 TYR 41 -20.588 20.492 -16.470 268 HE1 TYR 41 HE2 TYR 41 -17.531 22.074 -12.969 269 HE2 TYR 41 HE1 TYR 41 -20.378 22.883 -16.033 270 HH TYR 41 HH TYR 41 -19.746 24.327 -14.162 271 H VAL 42 HN VAL 42 -17.214 15.526 -15.612 272 HA VAL 42 HA VAL 42 -19.555 13.930 -16.368 273 HB VAL 42 HB VAL 42 -16.706 12.944 -16.084 274 HG11 VAL 42 HG11 VAL 42 -17.540 10.912 -17.180 275 HG12 VAL 42 HG12 VAL 42 -19.169 11.585 -17.192 276 HG13 VAL 42 HG13 VAL 42 -18.385 11.210 -15.660 277 HG21 VAL 42 HG21 VAL 42 -16.718 12.786 -18.516 278 HG22 VAL 42 HG22 VAL 42 -16.920 14.454 -17.975 279 HG23 VAL 42 HG23 VAL 42 -18.310 13.545 -18.566 280 H ARG 43 HN ARG 43 -20.680 13.061 -14.807 281 HA ARG 43 HA ARG 43 -20.193 13.479 -12.092 282 HB2 ARG 43 HB2 ARG 43 -22.377 13.118 -13.367 283 HB3 ARG 43 HB1 ARG 43 -22.021 11.405 -13.266 284 HG2 ARG 43 HG2 ARG 43 -23.380 11.642 -11.448 285 HG3 ARG 43 HG1 ARG 43 -21.814 11.944 -10.692 286 HD2 ARG 43 HD2 ARG 43 -23.473 13.618 -10.010 287 HD3 ARG 43 HD1 ARG 43 -22.169 14.363 -10.945 288 HE ARG 43 HE ARG 43 -24.060 13.695 -12.796 289 HH11 ARG 43 HH11 ARG 43 -24.140 15.763 -9.926 290 HH12 ARG 43 HH12 ARG 43 -25.346 16.790 -10.567 291 HH21 ARG 43 HH21 ARG 43 -25.632 15.079 -13.647 292 HH22 ARG 43 HH22 ARG 43 -26.195 16.410 -12.741 293 H ILE 44 HN ILE 44 -19.273 12.276 -10.652 294 HA ILE 44 HA ILE 44 -17.570 10.099 -11.226 295 HB ILE 44 HB ILE 44 -18.601 11.012 -8.527 296 HG12 ILE 44 HG12 ILE 44 -17.306 12.629 -9.808 297 HG13 ILE 44 HG11 ILE 44 -16.474 12.173 -8.312 298 HG21 ILE 44 HG21 ILE 44 -16.736 9.754 -7.523 299 HG22 ILE 44 HG22 ILE 44 -16.323 9.114 -9.111 300 HG23 ILE 44 HG23 ILE 44 -17.862 8.688 -8.368 301 HD11 ILE 44 HD11 ILE 44 -14.913 12.378 -10.135 302 HD12 ILE 44 HD12 ILE 44 -15.864 11.276 -11.126 303 HD13 ILE 44 HD13 ILE 44 -15.043 10.679 -9.682 304 H GLY 45 HN GLY 45 -18.092 8.245 -11.753 305 HA2 GLY 45 HA2 GLY 45 -18.787 6.034 -11.251 306 HA3 GLY 45 HA1 GLY 45 -20.064 6.700 -10.232 307 H THR 46 HN THR 46 -19.698 8.400 -13.123 308 HA THR 46 HA THR 46 -21.938 6.931 -14.343 309 HB THR 46 HB THR 46 -21.563 9.787 -14.612 310 HG1 THR 46 HG1 THR 46 -21.768 8.585 -12.282 311 HG21 THR 46 HG21 THR 46 -24.026 9.795 -14.551 312 HG22 THR 46 HG22 THR 46 -23.981 8.042 -14.301 313 HG23 THR 46 HG23 THR 46 -23.361 8.745 -15.813 314 H THR 47 HN THR 47 -22.165 7.614 -16.499 315 HA THR 47 HA THR 47 -19.596 7.722 -17.912 316 HB THR 47 HB THR 47 -20.871 6.770 -19.804 317 HG1 THR 47 HG1 THR 47 -22.768 6.123 -17.786 318 HG21 THR 47 HG21 THR 47 -19.421 5.347 -18.477 319 HG22 THR 47 HG22 THR 47 -20.863 4.434 -18.924 320 HG23 THR 47 HG23 THR 47 -20.703 5.090 -17.296 321 H ALA 48 HN ALA 48 -19.536 8.844 -19.828 322 HA ALA 48 HA ALA 48 -21.652 10.661 -20.591 323 HB1 ALA 48 HB1 ALA 48 -19.069 11.802 -19.546 324 HB2 ALA 48 HB2 ALA 48 -20.637 11.911 -18.742 325 HB3 ALA 48 HB3 ALA 48 -20.380 12.717 -20.291 326 H THR 49 HN THR 49 -21.296 11.618 -22.565 327 HA THR 49 HA THR 49 -19.218 10.326 -24.142 328 HB THR 49 HB THR 49 -21.553 11.987 -25.102 329 HG1 THR 49 HG1 THR 49 -21.383 9.363 -24.174 330 HG21 THR 49 HG21 THR 49 -19.740 11.648 -26.738 331 HG22 THR 49 HG22 THR 49 -21.193 10.764 -27.209 332 HG23 THR 49 HG23 THR 49 -19.834 9.905 -26.482 333 H ILE 50 HN ILE 50 -17.422 11.453 -24.262 334 HA ILE 50 HA ILE 50 -17.386 14.379 -24.067 335 HB ILE 50 HB ILE 50 -15.065 12.503 -24.475 336 HG12 ILE 50 HG12 ILE 50 -16.293 11.802 -22.456 337 HG13 ILE 50 HG11 ILE 50 -14.688 12.433 -22.072 338 HG21 ILE 50 HG21 ILE 50 -15.192 15.276 -23.302 339 HG22 ILE 50 HG22 ILE 50 -14.564 14.834 -24.889 340 HG23 ILE 50 HG23 ILE 50 -13.736 14.288 -23.429 341 HD11 ILE 50 HD11 ILE 50 -15.732 14.550 -21.393 342 HD12 ILE 50 HD12 ILE 50 -16.339 13.175 -20.469 343 HD13 ILE 50 HD13 ILE 50 -17.317 13.868 -21.761 344 H THR 51 HN THR 51 -16.637 15.551 -25.799 345 HA THR 51 HA THR 51 -15.988 14.115 -28.256 346 HB THR 51 HB THR 51 -17.779 16.559 -28.140 347 HG1 THR 51 HG1 THR 51 -18.253 13.880 -27.926 348 HG21 THR 51 HG21 THR 51 -17.043 14.700 -30.422 349 HG22 THR 51 HG22 THR 51 -16.450 16.347 -30.211 350 HG23 THR 51 HG23 THR 51 -18.160 16.064 -30.528 351 H ALA 52 HN ALA 52 -13.984 14.619 -28.651 352 HA ALA 52 HA ALA 52 -13.223 17.419 -28.592 353 HB1 ALA 52 HB1 ALA 52 -11.140 16.974 -27.442 354 HB2 ALA 52 HB2 ALA 52 -11.558 15.270 -27.279 355 HB3 ALA 52 HB3 ALA 52 -12.496 16.494 -26.425 356 H ARG 53 HN ARG 53 -12.039 17.958 -30.257 357 HA ARG 53 HA ARG 53 -11.125 17.955 -32.307 358 HB2 ARG 53 HB2 ARG 53 -9.923 15.298 -31.556 359 HB3 ARG 53 HB1 ARG 53 -9.360 16.381 -32.839 360 HG2 ARG 53 HG2 ARG 53 -8.965 18.044 -30.972 361 HG3 ARG 53 HG1 ARG 53 -9.196 16.663 -29.882 362 HD2 ARG 53 HD2 ARG 53 -7.082 17.066 -31.988 363 HD3 ARG 53 HD1 ARG 53 -6.889 16.814 -30.243 364 HE ARG 53 HE ARG 53 -8.170 14.621 -31.513 365 HH11 ARG 53 HH11 ARG 53 -5.008 15.990 -30.782 366 HH12 ARG 53 HH12 ARG 53 -4.134 14.586 -31.170 367 HH21 ARG 53 HH21 ARG 53 -6.967 12.653 -32.062 368 HH22 ARG 53 HH22 ARG 53 -5.272 12.657 -31.891 369 H GLY 54 HN GLY 54 -13.631 16.721 -31.825 370 HA2 GLY 54 HA2 GLY 54 -15.270 15.890 -33.289 371 HA3 GLY 54 HA1 GLY 54 -13.977 15.394 -34.389 372 H HIS 55 HN HIS 55 -12.997 14.160 -31.499 373 HA HIS 55 HA HIS 55 -13.947 11.515 -32.193 374 HB2 HIS 55 HB2 HIS 55 -12.137 12.458 -29.964 375 HB3 HIS 55 HB1 HIS 55 -12.504 10.777 -30.343 376 HD1 HIS 55 HD1 HIS 55 -10.645 9.693 -31.535 377 HD2 HIS 55 HD2 HIS 55 -10.831 13.751 -32.319 378 HE1 HIS 55 HE1 HIS 55 -8.593 10.226 -32.909 379 H GLU 56 HN GLU 56 -15.557 10.562 -31.151 380 HA GLU 56 HA GLU 56 -16.691 11.917 -28.823 381 HB2 GLU 56 HB2 GLU 56 -17.880 9.814 -30.623 382 HB3 GLU 56 HB1 GLU 56 -18.722 10.759 -29.384 383 HG2 GLU 56 HG2 GLU 56 -18.433 12.766 -30.643 384 HG3 GLU 56 HG1 GLU 56 -17.410 11.943 -31.815 385 H PHE 57 HN PHE 57 -16.067 11.012 -26.973 386 HA PHE 57 HA PHE 57 -15.246 8.190 -26.899 387 HB2 PHE 57 HB2 PHE 57 -14.649 10.384 -24.916 388 HB3 PHE 57 HB1 PHE 57 -13.928 8.782 -25.015 389 HD1 PHE 57 HD1 PHE 57 -12.265 8.315 -26.849 390 HD2 PHE 57 HD2 PHE 57 -13.806 12.216 -26.091 391 HE1 PHE 57 HE1 PHE 57 -10.379 9.305 -28.080 392 HE2 PHE 57 HE2 PHE 57 -11.932 13.201 -27.321 393 HZ PHE 57 HZ PHE 57 -10.224 11.766 -28.322 394 H GLU 58 HN GLU 58 -16.865 6.962 -26.003 395 HA GLU 58 HA GLU 58 -18.633 8.163 -24.014 396 HB2 GLU 58 HB2 GLU 58 -19.427 6.437 -25.660 397 HB3 GLU 58 HB1 GLU 58 -18.384 5.250 -24.867 398 HG2 GLU 58 HG2 GLU 58 -20.496 4.843 -23.976 399 HG3 GLU 58 HG1 GLU 58 -19.711 5.834 -22.749 400 H VAL 59 HN VAL 59 -17.729 8.437 -22.077 401 HA VAL 59 HA VAL 59 -15.633 6.540 -21.279 402 HB VAL 59 HB VAL 59 -14.516 8.268 -20.049 403 HG11 VAL 59 HG11 VAL 59 -13.802 9.753 -21.884 404 HG12 VAL 59 HG12 VAL 59 -15.128 9.125 -22.865 405 HG13 VAL 59 HG13 VAL 59 -13.838 8.048 -22.321 406 HG21 VAL 59 HG21 VAL 59 -16.687 10.152 -20.980 407 HG22 VAL 59 HG22 VAL 59 -15.208 10.642 -20.153 408 HG23 VAL 59 HG23 VAL 59 -16.388 9.628 -19.323 409 H GLU 60 HN GLU 60 -15.418 6.111 -19.106 410 HA GLU 60 HA GLU 60 -17.775 6.638 -17.448 411 HB2 GLU 60 HB2 GLU 60 -17.558 4.270 -17.936 412 HB3 GLU 60 HB1 GLU 60 -15.853 4.304 -17.474 413 HG2 GLU 60 HG2 GLU 60 -16.493 4.770 -15.165 414 HG3 GLU 60 HG1 GLU 60 -18.192 4.742 -15.623 415 H ALA 61 HN ALA 61 -17.263 8.233 -16.054 416 HA ALA 61 HA ALA 61 -14.504 8.366 -15.082 417 HB1 ALA 61 HB1 ALA 61 -15.124 10.489 -14.001 418 HB2 ALA 61 HB2 ALA 61 -16.797 10.261 -14.506 419 HB3 ALA 61 HB3 ALA 61 -15.540 10.528 -15.717 420 H LYS 62 HN LYS 62 -14.564 6.515 -14.018 421 HA LYS 62 HA LYS 62 -16.592 5.666 -12.297 422 HB2 LYS 62 HB2 LYS 62 -14.965 3.921 -11.594 423 HB3 LYS 62 HB1 LYS 62 -15.262 4.042 -13.323 424 HG2 LYS 62 HG2 LYS 62 -13.224 5.174 -13.665 425 HG3 LYS 62 HG1 LYS 62 -12.916 5.298 -11.925 426 HD2 LYS 62 HD2 LYS 62 -11.559 3.514 -12.872 427 HD3 LYS 62 HD1 LYS 62 -12.792 2.833 -11.810 428 HE2 LYS 62 HE2 LYS 62 -14.151 2.290 -13.783 429 HE3 LYS 62 HE1 LYS 62 -12.885 2.945 -14.822 430 HZ1 LYS 62 HZ1 LYS 62 -12.560 0.646 -12.966 431 HZ2 LYS 62 HZ2 LYS 62 -11.369 1.247 -13.968 432 HZ3 LYS 62 HZ3 LYS 62 -12.726 0.531 -14.631 433 H ASP 63 HN ASP 63 -13.670 7.548 -11.563 434 HA ASP 63 HA ASP 63 -14.430 7.544 -8.765 435 HB2 ASP 63 HB2 ASP 63 -13.069 5.521 -9.024 436 HB3 ASP 63 HB1 ASP 63 -11.790 6.467 -9.770 437 H GLN 64 HN GLN 64 -13.006 9.001 -7.524 438 HA GLN 64 HA GLN 64 -12.715 11.507 -8.792 439 HB2 GLN 64 HB2 GLN 64 -11.863 12.264 -6.556 440 HB3 GLN 64 HB1 GLN 64 -13.423 11.478 -6.512 441 HG2 GLN 64 HG2 GLN 64 -12.297 10.661 -4.624 442 HG3 GLN 64 HG1 GLN 64 -12.175 9.366 -5.804 443 HE21 GLN 64 HE21 GLN 64 -10.203 12.269 -5.817 444 HE22 GLN 64 HE22 GLN 64 -8.715 11.477 -5.433 445 H ASN 65 HN ASN 65 -10.632 8.889 -8.611 446 HA ASN 65 HA ASN 65 -8.125 10.183 -8.829 447 HB2 ASN 65 HB2 ASN 65 -8.410 7.748 -8.342 448 HB3 ASN 65 HB1 ASN 65 -9.028 7.512 -9.979 449 HD21 ASN 65 HD21 ASN 65 -7.392 5.978 -10.357 450 HD22 ASN 65 HD22 ASN 65 -5.765 6.466 -10.662 451 H CYS 66 HN CYS 66 -10.814 9.893 -10.889 452 HA CYS 66 HA CYS 66 -11.361 10.539 -12.943 453 HB2 CYS 66 HB2 CYS 66 -9.052 12.440 -12.522 454 HB3 CYS 66 HB1 CYS 66 -10.267 12.578 -13.803 455 H LYS 67 HN LYS 67 -9.662 8.310 -12.821 456 HA LYS 67 HA LYS 67 -8.105 8.548 -15.220 457 HB2 LYS 67 HB2 LYS 67 -8.313 6.642 -13.092 458 HB3 LYS 67 HB1 LYS 67 -8.130 5.842 -14.674 459 HG2 LYS 67 HG2 LYS 67 -6.055 6.177 -13.235 460 HG3 LYS 67 HG1 LYS 67 -5.941 6.783 -14.885 461 HD2 LYS 67 HD2 LYS 67 -6.916 8.692 -12.879 462 HD3 LYS 67 HD1 LYS 67 -5.212 8.210 -12.691 463 HE2 LYS 67 HE2 LYS 67 -4.711 8.937 -14.864 464 HE3 LYS 67 HE1 LYS 67 -6.417 9.027 -15.275 465 HZ1 LYS 67 HZ1 LYS 67 -4.908 10.815 -13.426 466 HZ2 LYS 67 HZ2 LYS 67 -6.568 10.909 -13.659 467 HZ3 LYS 67 HZ3 LYS 67 -5.512 11.235 -14.947 468 H VAL 68 HN VAL 68 -9.130 8.965 -16.723 469 HA VAL 68 HA VAL 68 -11.715 8.071 -17.292 470 HB VAL 68 HB VAL 68 -11.087 10.219 -18.026 471 HG11 VAL 68 HG11 VAL 68 -8.875 8.916 -19.586 472 HG12 VAL 68 HG12 VAL 68 -8.722 10.042 -18.240 473 HG13 VAL 68 HG13 VAL 68 -9.365 10.600 -19.787 474 HG21 VAL 68 HG21 VAL 68 -12.681 9.148 -19.459 475 HG22 VAL 68 HG22 VAL 68 -11.395 8.371 -20.377 476 HG23 VAL 68 HG23 VAL 68 -11.601 10.120 -20.463 477 H ILE 69 HN ILE 69 -12.237 6.193 -17.852 478 HA ILE 69 HA ILE 69 -10.709 4.800 -19.902 479 HB ILE 69 HB ILE 69 -12.161 3.537 -17.532 480 HG12 ILE 69 HG12 ILE 69 -9.205 3.546 -18.130 481 HG13 ILE 69 HG11 ILE 69 -9.987 4.702 -17.061 482 HG21 ILE 69 HG21 ILE 69 -11.228 1.431 -18.357 483 HG22 ILE 69 HG22 ILE 69 -10.486 2.275 -19.716 484 HG23 ILE 69 HG23 ILE 69 -12.243 2.177 -19.594 485 HD11 ILE 69 HD11 ILE 69 -9.912 1.702 -16.686 486 HD12 ILE 69 HD12 ILE 69 -10.660 2.868 -15.587 487 HD13 ILE 69 HD13 ILE 69 -8.915 2.874 -15.821 488 H LEU 70 HN LEU 70 -11.942 4.089 -21.481 489 HA LEU 70 HA LEU 70 -14.640 5.067 -21.576 490 HB2 LEU 70 HB2 LEU 70 -12.909 3.739 -23.587 491 HB3 LEU 70 HB1 LEU 70 -14.599 4.028 -23.915 492 HG LEU 70 HG LEU 70 -14.100 6.495 -23.651 493 HD11 LEU 70 HD11 LEU 70 -11.236 5.564 -23.785 494 HD12 LEU 70 HD12 LEU 70 -12.013 6.336 -22.403 495 HD13 LEU 70 HD13 LEU 70 -11.788 7.234 -23.904 496 HD21 LEU 70 HD21 LEU 70 -12.677 5.004 -25.845 497 HD22 LEU 70 HD22 LEU 70 -13.135 6.705 -25.885 498 HD23 LEU 70 HD23 LEU 70 -14.379 5.461 -25.817 499 H THR 71 HN THR 71 -16.300 3.764 -22.335 500 HA THR 71 HA THR 71 -16.735 1.574 -20.613 501 HB THR 71 HB THR 71 -18.843 1.414 -22.049 502 HG1 THR 71 HG1 THR 71 -19.102 3.022 -23.544 503 HG21 THR 71 HG21 THR 71 -18.750 2.646 -19.910 504 HG22 THR 71 HG22 THR 71 -19.760 3.494 -21.083 505 HG23 THR 71 HG23 THR 71 -18.121 4.056 -20.758 506 H ASN 72 HN ASN 72 -15.556 1.898 -23.770 507 HA ASN 72 HA ASN 72 -16.061 -0.790 -24.668 508 HB2 ASN 72 HB2 ASN 72 -14.230 1.334 -25.788 509 HB3 ASN 72 HB1 ASN 72 -14.534 -0.231 -26.550 510 HD21 ASN 72 HD21 ASN 72 -15.719 2.964 -25.970 511 HD22 ASN 72 HD22 ASN 72 -17.133 2.819 -26.927 512 H GLY 73 HN GLY 73 -13.959 0.400 -22.384 513 HA2 GLY 73 HA2 GLY 73 -12.398 -0.810 -21.225 514 HA3 GLY 73 HA1 GLY 73 -12.363 -1.994 -22.547 515 H LYS 74 HN LYS 74 -12.189 1.353 -23.285 516 HA LYS 74 HA LYS 74 -9.407 0.957 -24.043 517 HB2 LYS 74 HB2 LYS 74 -11.410 2.901 -25.182 518 HB3 LYS 74 HB1 LYS 74 -9.779 2.619 -25.746 519 HG2 LYS 74 HG2 LYS 74 -12.081 0.683 -25.892 520 HG3 LYS 74 HG1 LYS 74 -11.359 1.576 -27.229 521 HD2 LYS 74 HD2 LYS 74 -9.250 0.365 -26.879 522 HD3 LYS 74 HD1 LYS 74 -9.994 -0.531 -25.556 523 HE2 LYS 74 HE2 LYS 74 -10.037 -1.885 -27.553 524 HE3 LYS 74 HE1 LYS 74 -11.682 -1.412 -27.135 525 HZ1 LYS 74 HZ1 LYS 74 -11.337 -1.168 -29.484 526 HZ2 LYS 74 HZ2 LYS 74 -9.973 -0.246 -29.262 527 HZ3 LYS 74 HZ3 LYS 74 -11.479 0.383 -28.841 528 H GLN 75 HN GLN 75 -8.012 2.686 -23.691 529 HA GLN 75 HA GLN 75 -8.903 4.386 -21.506 530 HB2 GLN 75 HB2 GLN 75 -6.084 3.749 -22.400 531 HB3 GLN 75 HB1 GLN 75 -6.530 4.696 -20.983 532 HG2 GLN 75 HG2 GLN 75 -7.694 2.701 -20.079 533 HG3 GLN 75 HG1 GLN 75 -7.099 1.777 -21.450 534 HE21 GLN 75 HE21 GLN 75 -6.661 1.372 -18.650 535 HE22 GLN 75 HE22 GLN 75 -4.952 1.416 -18.402 536 H ALA 76 HN ALA 76 -8.605 6.550 -21.570 537 HA ALA 76 HA ALA 76 -8.807 7.653 -24.195 538 HB1 ALA 76 HB1 ALA 76 -9.008 9.018 -21.528 539 HB2 ALA 76 HB2 ALA 76 -10.353 8.258 -22.377 540 HB3 ALA 76 HB3 ALA 76 -9.545 9.654 -23.082 541 HA PRO 77 HA PRO 77 -4.750 9.260 -24.694 542 HB2 PRO 77 HB2 PRO 77 -5.414 11.737 -25.738 543 HB3 PRO 77 HB1 PRO 77 -5.232 10.241 -26.674 544 HG2 PRO 77 HG2 PRO 77 -7.642 11.678 -25.942 545 HG3 PRO 77 HG1 PRO 77 -7.377 10.460 -27.207 546 HD2 PRO 77 HD2 PRO 77 -8.712 10.100 -24.811 547 HD3 PRO 77 HD1 PRO 77 -8.165 8.799 -25.873 548 H ASP 78 HN ASP 78 -3.280 10.762 -24.039 549 HA ASP 78 HA ASP 78 -3.583 11.611 -21.374 550 HB2 ASP 78 HB2 ASP 78 -1.418 12.316 -23.350 551 HB3 ASP 78 HB1 ASP 78 -1.329 12.554 -21.610 552 H TRP 79 HN TRP 79 -3.863 13.244 -24.419 553 HA TRP 79 HA TRP 79 -3.744 15.852 -23.329 554 HB2 TRP 79 HB2 TRP 79 -4.549 16.601 -25.585 555 HB3 TRP 79 HB1 TRP 79 -3.141 15.542 -25.637 556 HD1 TRP 79 HD1 TRP 79 -3.367 13.364 -26.915 557 HE1 TRP 79 HE1 TRP 79 -5.175 12.352 -28.466 558 HE3 TRP 79 HE3 TRP 79 -7.193 16.512 -25.799 559 HZ2 TRP 79 HZ2 TRP 79 -7.874 12.835 -29.089 560 HZ3 TRP 79 HZ3 TRP 79 -9.353 16.183 -26.896 561 HH2 TRP 79 HH2 TRP 79 -9.698 14.385 -28.511 562 H LEU 80 HN LEU 80 -6.133 13.491 -23.259 563 HA LEU 80 HA LEU 80 -8.233 15.443 -22.919 564 HB2 LEU 80 HB2 LEU 80 -8.721 13.245 -24.056 565 HB3 LEU 80 HB1 LEU 80 -8.275 12.432 -22.558 566 HG LEU 80 HG LEU 80 -10.128 13.483 -21.409 567 HD11 LEU 80 HD11 LEU 80 -11.854 14.701 -22.654 568 HD12 LEU 80 HD12 LEU 80 -10.853 14.636 -24.105 569 HD13 LEU 80 HD13 LEU 80 -10.310 15.545 -22.696 570 HD21 LEU 80 HD21 LEU 80 -10.500 11.316 -22.384 571 HD22 LEU 80 HD22 LEU 80 -10.912 12.041 -23.940 572 HD23 LEU 80 HD23 LEU 80 -11.966 12.282 -22.545 573 H ALA 81 HN ALA 81 -8.119 16.460 -21.079 574 HA ALA 81 HA ALA 81 -6.749 15.156 -18.852 575 HB1 ALA 81 HB1 ALA 81 -7.294 18.083 -19.309 576 HB2 ALA 81 HB2 ALA 81 -5.766 17.256 -19.620 577 HB3 ALA 81 HB3 ALA 81 -6.377 17.395 -17.971 578 H ALA 82 HN ALA 82 -7.621 15.089 -16.874 579 HA ALA 82 HA ALA 82 -10.336 16.089 -16.513 580 HB1 ALA 82 HB1 ALA 82 -10.530 13.727 -17.129 581 HB2 ALA 82 HB2 ALA 82 -11.013 13.998 -15.454 582 HB3 ALA 82 HB3 ALA 82 -9.434 13.296 -15.815 583 H GLU 83 HN GLU 83 -10.567 17.080 -14.653 584 HA GLU 83 HA GLU 83 -8.583 16.644 -12.547 585 HB2 GLU 83 HB2 GLU 83 -10.090 19.196 -13.166 586 HB3 GLU 83 HB1 GLU 83 -8.909 18.977 -11.891 587 HG2 GLU 83 HG2 GLU 83 -7.181 18.593 -13.621 588 HG3 GLU 83 HG1 GLU 83 -8.392 18.934 -14.857 589 HA PRO 84 HA PRO 84 -12.181 15.405 -10.212 590 HB2 PRO 84 HB2 PRO 84 -11.114 15.804 -7.712 591 HB3 PRO 84 HB1 PRO 84 -10.662 14.412 -8.721 592 HG2 PRO 84 HG2 PRO 84 -9.267 17.008 -8.349 593 HG3 PRO 84 HG1 PRO 84 -8.606 15.359 -8.317 594 HD2 PRO 84 HD2 PRO 84 -8.336 16.801 -10.512 595 HD3 PRO 84 HD1 PRO 84 -8.814 15.077 -10.570 596 H TYR 85 HN TYR 85 -13.945 16.603 -9.738 597 HA TYR 85 HA TYR 85 -13.399 19.359 -9.230 598 HB2 TYR 85 HB2 TYR 85 -14.789 18.681 -11.196 599 HB3 TYR 85 HB1 TYR 85 -16.071 18.262 -10.053 600 HD1 TYR 85 HD1 TYR 85 -13.877 21.039 -11.141 601 HD2 TYR 85 HD2 TYR 85 -17.530 19.944 -9.268 602 HE1 TYR 85 HE1 TYR 85 -14.562 23.390 -11.134 603 HE2 TYR 85 HE2 TYR 85 -18.222 22.303 -9.256 604 HH TYR 85 HH TYR 85 -16.581 24.664 -11.061 Start of MODEL 4 1 H SER 7 HT1 SER 7 -13.690 -21.761 15.502 2 HA SER 7 HA SER 7 -12.684 -19.891 14.464 3 HB2 SER 7 HB2 SER 7 -15.337 -20.676 13.227 4 HB3 SER 7 HB1 SER 7 -13.933 -20.024 12.365 5 HG SER 7 HG SER 7 -14.493 -22.543 13.146 6 H GLY 8 HN GLY 8 -13.420 -17.922 13.084 7 HA2 GLY 8 HA2 GLY 8 -15.210 -16.211 12.991 8 HA3 GLY 8 HA1 GLY 8 -15.172 -16.276 14.754 9 H ARG 9 HN ARG 9 -13.415 -15.408 11.894 10 HA ARG 9 HA ARG 9 -11.263 -14.228 13.401 11 HB2 ARG 9 HB2 ARG 9 -11.830 -14.120 10.429 12 HB3 ARG 9 HB1 ARG 9 -10.340 -13.605 11.202 13 HG2 ARG 9 HG2 ARG 9 -9.952 -15.903 11.961 14 HG3 ARG 9 HG1 ARG 9 -11.425 -16.409 11.136 15 HD2 ARG 9 HD2 ARG 9 -10.443 -15.660 9.004 16 HD3 ARG 9 HD1 ARG 9 -8.964 -15.233 9.867 17 HE ARG 9 HE ARG 9 -9.930 -17.959 10.113 18 HH11 ARG 9 HH11 ARG 9 -7.645 -15.739 8.556 19 HH12 ARG 9 HH12 ARG 9 -6.542 -16.966 8.134 20 HH21 ARG 9 HH21 ARG 9 -8.423 -19.655 9.448 21 HH22 ARG 9 HH22 ARG 9 -6.997 -19.220 8.627 22 H GLU 10 HN GLU 10 -12.560 -13.015 14.558 23 HA GLU 10 HA GLU 10 -14.067 -10.844 13.378 24 HB2 GLU 10 HB2 GLU 10 -13.790 -11.712 16.251 25 HB3 GLU 10 HB1 GLU 10 -14.975 -10.564 15.619 26 HG2 GLU 10 HG2 GLU 10 -16.019 -12.274 14.312 27 HG3 GLU 10 HG1 GLU 10 -14.756 -13.425 14.729 28 H ASN 11 HN ASN 11 -12.657 -9.376 12.695 29 HA ASN 11 HA ASN 11 -11.244 -7.815 14.656 30 HB2 ASN 11 HB2 ASN 11 -9.516 -9.391 13.801 31 HB3 ASN 11 HB1 ASN 11 -9.922 -8.918 12.155 32 HD21 ASN 11 HD21 ASN 11 -7.959 -8.070 11.647 33 HD22 ASN 11 HD22 ASN 11 -7.301 -6.636 12.342 34 H LEU 12 HN LEU 12 -12.371 -6.077 14.285 35 HA LEU 12 HA LEU 12 -13.652 -5.401 11.932 36 HB2 LEU 12 HB2 LEU 12 -12.898 -3.721 14.300 37 HB3 LEU 12 HB1 LEU 12 -13.694 -3.047 12.891 38 HG LEU 12 HG LEU 12 -14.781 -5.327 14.387 39 HD11 LEU 12 HD11 LEU 12 -15.442 -2.375 14.617 40 HD12 LEU 12 HD12 LEU 12 -14.643 -3.334 15.860 41 HD13 LEU 12 HD13 LEU 12 -16.325 -3.663 15.434 42 HD21 LEU 12 HD21 LEU 12 -15.632 -5.143 12.153 43 HD22 LEU 12 HD22 LEU 12 -15.942 -3.424 12.381 44 HD23 LEU 12 HD23 LEU 12 -16.877 -4.611 13.283 45 H TYR 13 HN TYR 13 -13.309 -4.278 10.319 46 HA TYR 13 HA TYR 13 -10.563 -3.505 9.658 47 HB2 TYR 13 HB2 TYR 13 -11.861 -5.174 8.259 48 HB3 TYR 13 HB1 TYR 13 -13.007 -3.896 7.912 49 HD1 TYR 13 HD2 TYR 13 -9.372 -4.673 7.591 50 HD2 TYR 13 HD1 TYR 13 -12.754 -2.696 5.948 51 HE1 TYR 13 HE2 TYR 13 -8.068 -4.117 5.591 52 HE2 TYR 13 HE1 TYR 13 -11.455 -2.140 3.936 53 HH TYR 13 HH TYR 13 -9.136 -1.888 3.264 54 H PHE 14 HN PHE 14 -10.664 -1.480 8.100 55 HA PHE 14 HA PHE 14 -11.872 0.646 9.532 56 HB2 PHE 14 HB2 PHE 14 -10.514 0.648 6.823 57 HB3 PHE 14 HB1 PHE 14 -10.988 2.093 7.711 58 HD1 PHE 14 HD1 PHE 14 -8.662 -0.734 7.599 59 HD2 PHE 14 HD2 PHE 14 -9.761 2.832 9.632 60 HE1 PHE 14 HE1 PHE 14 -6.525 -0.770 8.808 61 HE2 PHE 14 HE2 PHE 14 -7.620 2.800 10.843 62 HZ PHE 14 HZ PHE 14 -6.006 0.998 10.434 63 H GLN 15 HN GLN 15 -13.952 0.414 9.565 64 HA GLN 15 HA GLN 15 -15.437 -0.171 7.222 65 HB2 GLN 15 HB2 GLN 15 -17.435 -0.090 8.814 66 HB3 GLN 15 HB1 GLN 15 -16.254 -1.380 8.989 67 HG2 GLN 15 HG2 GLN 15 -15.196 -0.174 10.805 68 HG3 GLN 15 HG1 GLN 15 -16.379 1.120 10.570 69 HE21 GLN 15 HE21 GLN 15 -17.044 0.831 12.731 70 HE22 GLN 15 HE22 GLN 15 -18.047 -0.477 13.220 71 H GLY 16 HN GLY 16 -14.804 1.565 6.196 72 HA2 GLY 16 HA2 GLY 16 -16.831 3.520 5.958 73 HA3 GLY 16 HA1 GLY 16 -15.374 4.221 6.666 74 H HIS 17 HN HIS 17 -16.869 3.056 3.842 75 HA HIS 17 HA HIS 17 -14.538 2.889 2.194 76 HB2 HIS 17 HB2 HIS 17 -17.444 3.361 1.394 77 HB3 HIS 17 HB1 HIS 17 -16.154 2.876 0.306 78 HD1 HIS 17 HD1 HIS 17 -15.937 0.320 -0.045 79 HD2 HIS 17 HD2 HIS 17 -18.099 1.326 3.373 80 HE1 HIS 17 HE1 HIS 17 -16.827 -1.826 0.875 81 H MET 18 HN MET 18 -13.783 4.551 0.725 82 HA MET 18 HA MET 18 -14.171 7.155 1.855 83 HB2 MET 18 HB2 MET 18 -11.931 6.343 0.827 84 HB3 MET 18 HB1 MET 18 -12.755 6.621 -0.720 85 HG2 MET 18 HG2 MET 18 -13.025 8.922 -0.308 86 HG3 MET 18 HG1 MET 18 -12.383 8.769 1.323 87 HE1 MET 18 HE1 MET 18 -9.597 10.785 -0.597 88 HE2 MET 18 HE2 MET 18 -10.686 10.785 0.787 89 HE3 MET 18 HE3 MET 18 -11.336 10.892 -0.849 90 H ALA 19 HN ALA 19 -16.222 7.735 1.535 91 HA ALA 19 HA ALA 19 -17.527 7.811 -0.957 92 HB1 ALA 19 HB1 ALA 19 -17.827 9.595 1.469 93 HB2 ALA 19 HB2 ALA 19 -18.764 8.137 1.144 94 HB3 ALA 19 HB3 ALA 19 -18.951 9.558 0.110 95 H ALA 20 HN ALA 20 -16.912 8.919 -2.612 96 HA ALA 20 HA ALA 20 -14.561 10.248 -2.696 97 HB1 ALA 20 HB1 ALA 20 -15.168 10.902 -4.978 98 HB2 ALA 20 HB2 ALA 20 -16.844 10.458 -4.647 99 HB3 ALA 20 HB3 ALA 20 -15.583 9.224 -4.623 100 HA PRO 21 HA PRO 21 -15.843 14.416 -1.339 101 HB2 PRO 21 HB2 PRO 21 -13.416 15.599 -1.732 102 HB3 PRO 21 HB1 PRO 21 -13.746 14.582 -0.308 103 HG2 PRO 21 HG2 PRO 21 -12.305 13.886 -2.810 104 HG3 PRO 21 HG1 PRO 21 -11.923 13.451 -1.132 105 HD2 PRO 21 HD2 PRO 21 -13.104 11.740 -2.839 106 HD3 PRO 21 HD1 PRO 21 -13.423 11.723 -1.090 107 H ALA 22 HN ALA 22 -14.495 13.357 -4.251 108 HA ALA 22 HA ALA 22 -15.030 15.787 -5.742 109 HB1 ALA 22 HB1 ALA 22 -14.184 14.491 -7.665 110 HB2 ALA 22 HB2 ALA 22 -14.053 13.066 -6.637 111 HB3 ALA 22 HB3 ALA 22 -13.036 14.471 -6.325 112 H ARG 23 HN ARG 23 -16.740 15.975 -7.093 113 HA ARG 23 HA ARG 23 -18.731 13.807 -6.957 114 HB2 ARG 23 HB2 ARG 23 -19.237 16.788 -7.159 115 HB3 ARG 23 HB1 ARG 23 -20.470 15.538 -7.098 116 HG2 ARG 23 HG2 ARG 23 -19.776 14.941 -4.846 117 HG3 ARG 23 HG1 ARG 23 -18.492 16.136 -4.906 118 HD2 ARG 23 HD2 ARG 23 -20.333 17.049 -3.671 119 HD3 ARG 23 HD1 ARG 23 -20.213 17.900 -5.209 120 HE ARG 23 HE ARG 23 -22.017 15.737 -5.397 121 HH11 ARG 23 HH11 ARG 23 -21.769 18.981 -4.020 122 HH12 ARG 23 HH12 ARG 23 -23.447 19.282 -4.058 123 HH21 ARG 23 HH21 ARG 23 -24.317 16.164 -5.425 124 HH22 ARG 23 HH22 ARG 23 -24.926 17.645 -4.840 125 H PHE 24 HN PHE 24 -16.970 16.104 -8.870 126 HA PHE 24 HA PHE 24 -18.134 14.903 -11.282 127 HB2 PHE 24 HB2 PHE 24 -17.258 17.799 -10.992 128 HB3 PHE 24 HB1 PHE 24 -17.842 17.010 -12.443 129 HD1 PHE 24 HD2 PHE 24 -18.924 17.874 -8.980 130 HD2 PHE 24 HD1 PHE 24 -20.031 17.280 -13.041 131 HE1 PHE 24 HE2 PHE 24 -21.179 18.701 -8.478 132 HE2 PHE 24 HE1 PHE 24 -22.282 18.117 -12.547 133 HZ PHE 24 HZ PHE 24 -22.858 18.829 -10.273 134 H CYS 25 HN CYS 25 -16.645 15.078 -13.056 135 HA CYS 25 HA CYS 25 -13.858 15.645 -12.357 136 HB2 CYS 25 HB2 CYS 25 -15.006 13.816 -14.488 137 HB3 CYS 25 HB1 CYS 25 -13.291 14.174 -14.258 138 H VAL 26 HN VAL 26 -12.969 17.193 -13.650 139 HA VAL 26 HA VAL 26 -14.708 18.394 -15.729 140 HB VAL 26 HB VAL 26 -12.127 19.548 -14.706 141 HG11 VAL 26 HG11 VAL 26 -13.111 21.647 -15.422 142 HG12 VAL 26 HG12 VAL 26 -14.581 20.798 -15.891 143 HG13 VAL 26 HG13 VAL 26 -13.067 20.470 -16.732 144 HG21 VAL 26 HG21 VAL 26 -13.411 20.913 -13.105 145 HG22 VAL 26 HG22 VAL 26 -13.429 19.192 -12.732 146 HG23 VAL 26 HG23 VAL 26 -14.847 19.946 -13.468 147 H TYR 27 HN TYR 27 -14.266 18.044 -17.750 148 HA TYR 27 HA TYR 27 -11.681 16.862 -18.417 149 HB2 TYR 27 HB2 TYR 27 -14.277 16.896 -19.974 150 HB3 TYR 27 HB1 TYR 27 -12.732 16.280 -20.569 151 HD1 TYR 27 HD1 TYR 27 -14.950 15.832 -17.583 152 HD2 TYR 27 HD2 TYR 27 -12.398 14.030 -20.454 153 HE1 TYR 27 HE1 TYR 27 -15.427 13.632 -16.619 154 HE2 TYR 27 HE2 TYR 27 -12.880 11.829 -19.499 155 HH TYR 27 HH TYR 27 -15.394 11.277 -17.325 156 H TYR 28 HN TYR 28 -10.355 17.733 -19.815 157 HA TYR 28 HA TYR 28 -11.130 20.222 -21.169 158 HB2 TYR 28 HB2 TYR 28 -8.449 19.744 -19.856 159 HB3 TYR 28 HB1 TYR 28 -8.957 21.186 -20.733 160 HD1 TYR 28 HD1 TYR 28 -9.424 19.222 -17.653 161 HD2 TYR 28 HD2 TYR 28 -10.051 22.964 -19.567 162 HE1 TYR 28 HE1 TYR 28 -9.981 20.226 -15.497 163 HE2 TYR 28 HE2 TYR 28 -10.627 23.982 -17.388 164 HH TYR 28 HH TYR 28 -10.035 22.239 -14.438 165 H ASP 29 HN ASP 29 -10.150 20.506 -23.096 166 HA ASP 29 HA ASP 29 -8.971 18.236 -24.442 167 HB2 ASP 29 HB2 ASP 29 -10.618 19.481 -25.683 168 HB3 ASP 29 HB1 ASP 29 -9.776 20.994 -25.313 169 H GLY 30 HN GLY 30 -6.960 17.991 -23.692 170 HA2 GLY 30 HA2 GLY 30 -4.703 18.557 -24.343 171 HA3 GLY 30 HA1 GLY 30 -5.077 20.245 -23.977 172 H HIS 31 HN HIS 31 -3.076 18.518 -22.894 173 HA HIS 31 HA HIS 31 -3.949 18.277 -20.099 174 HB2 HIS 31 HB2 HIS 31 -1.963 16.886 -19.693 175 HB3 HIS 31 HB1 HIS 31 -2.905 16.236 -21.041 176 HD1 HIS 31 HD1 HIS 31 0.498 17.421 -20.136 177 HD2 HIS 31 HD2 HIS 31 -1.699 16.723 -23.584 178 HE1 HIS 31 HE1 HIS 31 2.173 17.273 -22.005 179 H LEU 32 HN LEU 32 -2.703 20.479 -22.035 180 HA LEU 32 HA LEU 32 -0.652 21.477 -20.217 181 HB2 LEU 32 HB2 LEU 32 -0.220 21.226 -22.685 182 HB3 LEU 32 HB1 LEU 32 -1.437 22.459 -22.960 183 HG LEU 32 HG LEU 32 -0.049 23.996 -21.575 184 HD11 LEU 32 HD11 LEU 32 2.321 23.414 -21.280 185 HD12 LEU 32 HD12 LEU 32 1.978 21.806 -21.926 186 HD13 LEU 32 HD13 LEU 32 1.269 22.297 -20.398 187 HD21 LEU 32 HD21 LEU 32 1.558 24.439 -23.373 188 HD22 LEU 32 HD22 LEU 32 -0.065 24.125 -23.988 189 HD23 LEU 32 HD23 LEU 32 1.174 22.872 -24.084 190 HA PRO 33 HA PRO 33 -3.983 23.823 -18.466 191 HB2 PRO 33 HB2 PRO 33 -2.440 25.732 -17.199 192 HB3 PRO 33 HB1 PRO 33 -2.793 24.121 -16.544 193 HG2 PRO 33 HG2 PRO 33 -0.366 25.063 -17.955 194 HG3 PRO 33 HG1 PRO 33 -0.534 23.955 -16.578 195 HD2 PRO 33 HD2 PRO 33 -0.037 23.074 -19.033 196 HD3 PRO 33 HD1 PRO 33 -1.065 22.150 -17.911 197 H ALA 34 HN ALA 34 -1.444 25.549 -20.173 198 HA ALA 34 HA ALA 34 -3.063 27.930 -20.429 199 HB1 ALA 34 HB1 ALA 34 -1.167 28.868 -21.612 200 HB2 ALA 34 HB2 ALA 34 -0.391 27.286 -21.654 201 HB3 ALA 34 HB3 ALA 34 -0.650 28.101 -20.112 202 H THR 35 HN THR 35 -3.140 25.056 -22.067 203 HA THR 35 HA THR 35 -4.207 26.420 -24.431 204 HB THR 35 HB THR 35 -2.457 23.932 -24.581 205 HG1 THR 35 HG1 THR 35 -1.895 26.642 -24.484 206 HG21 THR 35 HG21 THR 35 -2.327 24.494 -26.967 207 HG22 THR 35 HG22 THR 35 -3.336 25.913 -26.698 208 HG23 THR 35 HG23 THR 35 -4.017 24.300 -26.488 209 H ARG 36 HN ARG 36 -5.058 24.628 -21.876 210 HA ARG 36 HA ARG 36 -6.411 22.551 -23.334 211 HB2 ARG 36 HB2 ARG 36 -6.934 21.581 -21.189 212 HB3 ARG 36 HB1 ARG 36 -5.263 22.041 -21.230 213 HG2 ARG 36 HG2 ARG 36 -5.675 24.015 -19.930 214 HG3 ARG 36 HG1 ARG 36 -7.405 23.670 -19.921 215 HD2 ARG 36 HD2 ARG 36 -6.972 21.581 -18.733 216 HD3 ARG 36 HD1 ARG 36 -5.245 21.957 -18.728 217 HE ARG 36 HE ARG 36 -6.426 24.134 -17.677 218 HH11 ARG 36 HH11 ARG 36 -6.410 20.707 -16.791 219 HH12 ARG 36 HH12 ARG 36 -6.721 20.944 -15.133 220 HH21 ARG 36 HH21 ARG 36 -6.769 24.501 -15.376 221 HH22 ARG 36 HH22 ARG 36 -6.860 23.178 -14.303 222 H VAL 37 HN VAL 37 -8.431 22.569 -23.869 223 HA VAL 37 HA VAL 37 -10.011 24.957 -23.258 224 HB VAL 37 HB VAL 37 -10.482 22.772 -25.303 225 HG11 VAL 37 HG11 VAL 37 -12.573 23.859 -24.663 226 HG12 VAL 37 HG12 VAL 37 -12.117 24.323 -26.304 227 HG13 VAL 37 HG13 VAL 37 -11.864 25.444 -24.969 228 HG21 VAL 37 HG21 VAL 37 -8.486 24.014 -25.841 229 HG22 VAL 37 HG22 VAL 37 -9.330 25.541 -25.606 230 HG23 VAL 37 HG23 VAL 37 -9.772 24.492 -26.953 231 H LEU 38 HN LEU 38 -11.724 24.866 -21.938 232 HA LEU 38 HA LEU 38 -12.326 22.621 -20.375 233 HB2 LEU 38 HB2 LEU 38 -12.724 24.981 -19.710 234 HB3 LEU 38 HB1 LEU 38 -13.941 25.132 -20.944 235 HG LEU 38 HG LEU 38 -14.777 24.977 -18.569 236 HD11 LEU 38 HD11 LEU 38 -16.648 23.490 -19.024 237 HD12 LEU 38 HD12 LEU 38 -15.800 22.845 -20.431 238 HD13 LEU 38 HD13 LEU 38 -16.300 24.536 -20.400 239 HD21 LEU 38 HD21 LEU 38 -13.921 22.114 -18.838 240 HD22 LEU 38 HD22 LEU 38 -14.880 22.790 -17.519 241 HD23 LEU 38 HD23 LEU 38 -13.216 23.317 -17.759 242 H LEU 39 HN LEU 39 -13.586 20.871 -20.826 243 HA LEU 39 HA LEU 39 -15.205 21.009 -23.256 244 HB2 LEU 39 HB2 LEU 39 -14.047 18.628 -21.841 245 HB3 LEU 39 HB1 LEU 39 -15.129 18.530 -23.212 246 HG LEU 39 HG LEU 39 -12.385 19.778 -23.234 247 HD11 LEU 39 HD11 LEU 39 -11.789 17.846 -24.618 248 HD12 LEU 39 HD12 LEU 39 -13.402 17.177 -24.363 249 HD13 LEU 39 HD13 LEU 39 -12.302 17.368 -23.001 250 HD21 LEU 39 HD21 LEU 39 -12.705 19.844 -25.687 251 HD22 LEU 39 HD22 LEU 39 -13.852 20.867 -24.839 252 HD23 LEU 39 HD23 LEU 39 -14.369 19.302 -25.468 253 H MET 40 HN MET 40 -15.396 19.316 -20.045 254 HA MET 40 HA MET 40 -18.015 20.139 -19.541 255 HB2 MET 40 HB2 MET 40 -19.265 18.059 -19.943 256 HB3 MET 40 HB1 MET 40 -18.705 18.815 -21.441 257 HG2 MET 40 HG2 MET 40 -16.926 17.178 -21.594 258 HG3 MET 40 HG1 MET 40 -17.439 16.520 -20.044 259 HE1 MET 40 HE1 MET 40 -20.090 16.290 -23.832 260 HE2 MET 40 HE2 MET 40 -18.523 17.102 -23.801 261 HE3 MET 40 HE3 MET 40 -19.882 17.770 -22.896 262 H TYR 41 HN TYR 41 -19.048 18.992 -17.908 263 HA TYR 41 HA TYR 41 -17.142 17.960 -15.930 264 HB2 TYR 41 HB2 TYR 41 -19.814 19.354 -15.604 265 HB3 TYR 41 HB1 TYR 41 -18.822 18.733 -14.282 266 HD1 TYR 41 HD2 TYR 41 -18.894 21.243 -17.033 267 HD2 TYR 41 HD1 TYR 41 -17.139 20.099 -13.333 268 HE1 TYR 41 HE2 TYR 41 -17.771 23.421 -16.907 269 HE2 TYR 41 HE1 TYR 41 -16.008 22.286 -13.193 270 HH TYR 41 HH TYR 41 -15.282 24.075 -14.682 271 H VAL 42 HN VAL 42 -17.531 15.940 -15.194 272 HA VAL 42 HA VAL 42 -20.083 14.614 -15.917 273 HB VAL 42 HB VAL 42 -17.309 13.395 -15.981 274 HG11 VAL 42 HG11 VAL 42 -18.378 11.422 -16.951 275 HG12 VAL 42 HG12 VAL 42 -19.959 12.180 -16.741 276 HG13 VAL 42 HG13 VAL 42 -18.989 11.763 -15.330 277 HG21 VAL 42 HG21 VAL 42 -17.631 13.251 -18.414 278 HG22 VAL 42 HG22 VAL 42 -17.633 14.920 -17.841 279 HG23 VAL 42 HG23 VAL 42 -19.155 14.126 -18.251 280 H ARG 43 HN ARG 43 -20.917 13.250 -14.379 281 HA ARG 43 HA ARG 43 -20.042 13.680 -11.678 282 HB2 ARG 43 HB2 ARG 43 -22.362 12.238 -12.918 283 HB3 ARG 43 HB1 ARG 43 -21.976 11.978 -11.230 284 HG2 ARG 43 HG2 ARG 43 -23.762 13.641 -11.575 285 HG3 ARG 43 HG1 ARG 43 -22.364 14.308 -10.736 286 HD2 ARG 43 HD2 ARG 43 -23.157 15.896 -12.390 287 HD3 ARG 43 HD1 ARG 43 -21.576 15.227 -12.808 288 HE ARG 43 HE ARG 43 -23.477 13.674 -14.094 289 HH11 ARG 43 HH11 ARG 43 -22.659 17.121 -14.200 290 HH12 ARG 43 HH12 ARG 43 -22.806 17.252 -15.878 291 HH21 ARG 43 HH21 ARG 43 -23.735 13.888 -16.416 292 HH22 ARG 43 HH22 ARG 43 -23.446 15.386 -17.167 293 H ILE 44 HN ILE 44 -19.042 12.403 -10.431 294 HA ILE 44 HA ILE 44 -17.516 10.158 -11.241 295 HB ILE 44 HB ILE 44 -18.464 10.729 -8.404 296 HG12 ILE 44 HG12 ILE 44 -17.175 12.500 -9.572 297 HG13 ILE 44 HG11 ILE 44 -16.425 11.953 -8.060 298 HG21 ILE 44 HG21 ILE 44 -17.687 8.411 -8.636 299 HG22 ILE 44 HG22 ILE 44 -16.562 9.343 -7.657 300 HG23 ILE 44 HG23 ILE 44 -16.161 8.965 -9.325 301 HD11 ILE 44 HD11 ILE 44 -14.749 12.298 -9.752 302 HD12 ILE 44 HD12 ILE 44 -15.646 11.310 -10.899 303 HD13 ILE 44 HD13 ILE 44 -14.910 10.560 -9.486 304 H GLY 45 HN GLY 45 -18.208 8.325 -11.873 305 HA2 GLY 45 HA2 GLY 45 -19.191 6.185 -11.254 306 HA3 GLY 45 HA1 GLY 45 -20.532 7.080 -10.554 307 H THR 46 HN THR 46 -20.150 8.831 -13.144 308 HA THR 46 HA THR 46 -22.042 7.156 -14.632 309 HB THR 46 HB THR 46 -22.868 9.224 -15.673 310 HG1 THR 46 HG1 THR 46 -20.774 10.415 -14.162 311 HG21 THR 46 HG21 THR 46 -23.907 10.244 -13.692 312 HG22 THR 46 HG22 THR 46 -22.734 9.426 -12.662 313 HG23 THR 46 HG23 THR 46 -23.907 8.484 -13.578 314 H THR 47 HN THR 47 -22.052 7.342 -16.867 315 HA THR 47 HA THR 47 -19.367 7.422 -18.039 316 HB THR 47 HB THR 47 -20.522 6.413 -19.995 317 HG1 THR 47 HG1 THR 47 -22.680 7.034 -18.678 318 HG21 THR 47 HG21 THR 47 -20.634 4.860 -17.403 319 HG22 THR 47 HG22 THR 47 -19.246 5.033 -18.479 320 HG23 THR 47 HG23 THR 47 -20.669 4.141 -19.015 321 H ALA 48 HN ALA 48 -19.137 8.465 -20.003 322 HA ALA 48 HA ALA 48 -21.028 10.665 -20.441 323 HB1 ALA 48 HB1 ALA 48 -18.141 11.103 -19.812 324 HB2 ALA 48 HB2 ALA 48 -19.512 11.468 -18.762 325 HB3 ALA 48 HB3 ALA 48 -19.307 12.336 -20.284 326 H THR 49 HN THR 49 -21.058 11.428 -22.415 327 HA THR 49 HA THR 49 -19.233 10.299 -24.368 328 HB THR 49 HB THR 49 -21.663 12.039 -24.853 329 HG1 THR 49 HG1 THR 49 -21.488 9.197 -24.508 330 HG21 THR 49 HG21 THR 49 -20.121 11.705 -26.744 331 HG22 THR 49 HG22 THR 49 -21.662 10.897 -27.031 332 HG23 THR 49 HG23 THR 49 -20.252 9.957 -26.542 333 H ILE 50 HN ILE 50 -17.447 11.540 -24.358 334 HA ILE 50 HA ILE 50 -17.568 14.459 -24.031 335 HB ILE 50 HB ILE 50 -15.125 12.796 -24.609 336 HG12 ILE 50 HG12 ILE 50 -16.230 11.758 -22.648 337 HG13 ILE 50 HG11 ILE 50 -14.695 12.513 -22.216 338 HG21 ILE 50 HG21 ILE 50 -15.493 15.402 -23.146 339 HG22 ILE 50 HG22 ILE 50 -14.868 15.190 -24.782 340 HG23 ILE 50 HG23 ILE 50 -13.955 14.582 -23.405 341 HD11 ILE 50 HD11 ILE 50 -15.928 14.416 -21.285 342 HD12 ILE 50 HD12 ILE 50 -16.386 12.895 -20.521 343 HD13 ILE 50 HD13 ILE 50 -17.448 13.635 -21.722 344 H THR 51 HN THR 51 -16.955 15.740 -25.766 345 HA THR 51 HA THR 51 -16.299 14.372 -28.264 346 HB THR 51 HB THR 51 -18.173 16.742 -28.052 347 HG1 THR 51 HG1 THR 51 -18.534 14.090 -27.778 348 HG21 THR 51 HG21 THR 51 -17.436 14.977 -30.406 349 HG22 THR 51 HG22 THR 51 -16.895 16.637 -30.175 350 HG23 THR 51 HG23 THR 51 -18.607 16.293 -30.439 351 H ALA 52 HN ALA 52 -14.313 14.945 -28.701 352 HA ALA 52 HA ALA 52 -13.557 17.745 -28.458 353 HB1 ALA 52 HB1 ALA 52 -11.417 17.160 -27.468 354 HB2 ALA 52 HB2 ALA 52 -11.882 15.456 -27.426 355 HB3 ALA 52 HB3 ALA 52 -12.745 16.628 -26.435 356 H ARG 53 HN ARG 53 -12.341 18.440 -30.044 357 HA ARG 53 HA ARG 53 -11.500 18.676 -32.102 358 HB2 ARG 53 HB2 ARG 53 -10.369 15.897 -31.692 359 HB3 ARG 53 HB1 ARG 53 -9.845 17.049 -32.929 360 HG2 ARG 53 HG2 ARG 53 -9.222 18.572 -31.032 361 HG3 ARG 53 HG1 ARG 53 -9.525 17.187 -29.963 362 HD2 ARG 53 HD2 ARG 53 -7.514 17.386 -32.204 363 HD3 ARG 53 HD1 ARG 53 -7.165 17.338 -30.471 364 HE ARG 53 HE ARG 53 -8.610 15.050 -31.278 365 HH11 ARG 53 HH11 ARG 53 -5.321 16.419 -31.381 366 HH12 ARG 53 HH12 ARG 53 -4.568 14.902 -31.568 367 HH21 ARG 53 HH21 ARG 53 -7.505 12.963 -31.615 368 HH22 ARG 53 HH22 ARG 53 -5.812 12.961 -31.765 369 H GLY 54 HN GLY 54 -14.035 17.507 -31.699 370 HA2 GLY 54 HA2 GLY 54 -15.791 16.940 -33.115 371 HA3 GLY 54 HA1 GLY 54 -14.612 16.754 -34.419 372 H HIS 55 HN HIS 55 -13.867 14.978 -31.569 373 HA HIS 55 HA HIS 55 -14.909 12.507 -32.815 374 HB2 HIS 55 HB2 HIS 55 -12.566 12.829 -30.914 375 HB3 HIS 55 HB1 HIS 55 -13.134 11.310 -31.606 376 HD1 HIS 55 HD1 HIS 55 -11.935 10.598 -33.720 377 HD2 HIS 55 HD2 HIS 55 -11.442 14.627 -32.864 378 HE1 HIS 55 HE1 HIS 55 -10.170 11.441 -35.310 379 H GLU 56 HN GLU 56 -16.092 11.150 -31.542 380 HA GLU 56 HA GLU 56 -16.970 12.134 -28.948 381 HB2 GLU 56 HB2 GLU 56 -17.918 9.879 -30.707 382 HB3 GLU 56 HB1 GLU 56 -18.583 10.224 -29.109 383 HG2 GLU 56 HG2 GLU 56 -19.431 12.308 -29.836 384 HG3 GLU 56 HG1 GLU 56 -18.570 12.194 -31.371 385 H PHE 57 HN PHE 57 -16.381 11.182 -27.095 386 HA PHE 57 HA PHE 57 -14.984 8.613 -27.154 387 HB2 PHE 57 HB2 PHE 57 -14.431 10.997 -25.381 388 HB3 PHE 57 HB1 PHE 57 -13.600 9.443 -25.362 389 HD1 PHE 57 HD1 PHE 57 -12.189 8.818 -27.355 390 HD2 PHE 57 HD2 PHE 57 -13.788 12.721 -26.803 391 HE1 PHE 57 HE1 PHE 57 -10.567 9.711 -28.981 392 HE2 PHE 57 HE2 PHE 57 -12.182 13.616 -28.425 393 HZ PHE 57 HZ PHE 57 -10.574 12.124 -29.515 394 H GLU 58 HN GLU 58 -16.345 7.230 -26.120 395 HA GLU 58 HA GLU 58 -18.094 8.253 -24.026 396 HB2 GLU 58 HB2 GLU 58 -18.934 6.699 -25.812 397 HB3 GLU 58 HB1 GLU 58 -17.855 5.460 -25.164 398 HG2 GLU 58 HG2 GLU 58 -20.061 5.042 -24.360 399 HG3 GLU 58 HG1 GLU 58 -19.074 5.615 -23.020 400 H VAL 59 HN VAL 59 -17.168 8.399 -22.149 401 HA VAL 59 HA VAL 59 -15.160 6.388 -21.306 402 HB VAL 59 HB VAL 59 -14.095 8.111 -19.949 403 HG11 VAL 59 HG11 VAL 59 -13.139 9.538 -21.711 404 HG12 VAL 59 HG12 VAL 59 -14.369 8.937 -22.828 405 HG13 VAL 59 HG13 VAL 59 -13.182 7.832 -22.137 406 HG21 VAL 59 HG21 VAL 59 -16.087 10.034 -21.156 407 HG22 VAL 59 HG22 VAL 59 -14.706 10.489 -20.161 408 HG23 VAL 59 HG23 VAL 59 -16.010 9.526 -19.468 409 H GLU 60 HN GLU 60 -15.035 6.096 -19.060 410 HA GLU 60 HA GLU 60 -17.531 6.662 -17.713 411 HB2 GLU 60 HB2 GLU 60 -17.151 4.555 -16.466 412 HB3 GLU 60 HB1 GLU 60 -17.442 4.307 -18.190 413 HG2 GLU 60 HG2 GLU 60 -15.029 4.015 -18.493 414 HG3 GLU 60 HG1 GLU 60 -14.844 4.235 -16.747 415 H ALA 61 HN ALA 61 -17.330 7.874 -16.025 416 HA ALA 61 HA ALA 61 -14.672 8.426 -14.959 417 HB1 ALA 61 HB1 ALA 61 -17.341 9.728 -14.319 418 HB2 ALA 61 HB2 ALA 61 -16.127 10.373 -15.422 419 HB3 ALA 61 HB3 ALA 61 -15.776 10.253 -13.697 420 H LYS 62 HN LYS 62 -14.664 6.244 -14.293 421 HA LYS 62 HA LYS 62 -16.528 5.296 -12.350 422 HB2 LYS 62 HB2 LYS 62 -15.238 3.241 -12.384 423 HB3 LYS 62 HB1 LYS 62 -15.657 3.788 -14.004 424 HG2 LYS 62 HG2 LYS 62 -13.453 4.732 -14.262 425 HG3 LYS 62 HG1 LYS 62 -12.993 4.155 -12.653 426 HD2 LYS 62 HD2 LYS 62 -13.771 2.446 -15.019 427 HD3 LYS 62 HD1 LYS 62 -12.142 2.634 -14.369 428 HE2 LYS 62 HE2 LYS 62 -12.960 1.666 -12.219 429 HE3 LYS 62 HE1 LYS 62 -14.517 1.385 -12.987 430 HZ1 LYS 62 HZ1 LYS 62 -11.938 0.219 -13.848 431 HZ2 LYS 62 HZ2 LYS 62 -13.422 -0.077 -14.587 432 HZ3 LYS 62 HZ3 LYS 62 -13.143 -0.583 -13.002 433 H ASP 63 HN ASP 63 -13.547 7.027 -12.052 434 HA ASP 63 HA ASP 63 -13.259 5.944 -9.381 435 HB2 ASP 63 HB2 ASP 63 -11.459 5.060 -10.662 436 HB3 ASP 63 HB1 ASP 63 -11.141 6.624 -11.406 437 H GLN 64 HN GLN 64 -12.678 7.255 -7.813 438 HA GLN 64 HA GLN 64 -13.706 9.894 -7.903 439 HB2 GLN 64 HB2 GLN 64 -13.106 9.932 -5.525 440 HB3 GLN 64 HB1 GLN 64 -14.011 8.498 -5.988 441 HG2 GLN 64 HG2 GLN 64 -11.837 7.262 -6.093 442 HG3 GLN 64 HG1 GLN 64 -11.059 8.695 -5.435 443 HE21 GLN 64 HE21 GLN 64 -14.239 7.499 -4.488 444 HE22 GLN 64 HE22 GLN 64 -13.783 7.068 -2.880 445 H ASN 65 HN ASN 65 -10.788 8.839 -8.965 446 HA ASN 65 HA ASN 65 -9.517 11.430 -8.327 447 HB2 ASN 65 HB2 ASN 65 -8.256 9.404 -7.477 448 HB3 ASN 65 HB1 ASN 65 -8.118 8.854 -9.150 449 HD21 ASN 65 HD21 ASN 65 -7.747 12.163 -7.885 450 HD22 ASN 65 HD22 ASN 65 -6.110 12.336 -8.363 451 H CYS 66 HN CYS 66 -11.364 10.087 -10.420 452 HA CYS 66 HA CYS 66 -11.893 10.243 -12.537 453 HB2 CYS 66 HB2 CYS 66 -10.199 12.733 -12.439 454 HB3 CYS 66 HB1 CYS 66 -11.403 12.345 -13.681 455 H LYS 67 HN LYS 67 -10.207 8.345 -12.363 456 HA LYS 67 HA LYS 67 -8.203 8.631 -14.410 457 HB2 LYS 67 HB2 LYS 67 -9.140 6.531 -12.638 458 HB3 LYS 67 HB1 LYS 67 -8.364 5.993 -14.154 459 HG2 LYS 67 HG2 LYS 67 -6.921 6.031 -12.053 460 HG3 LYS 67 HG1 LYS 67 -6.324 6.921 -13.458 461 HD2 LYS 67 HD2 LYS 67 -7.968 8.518 -11.725 462 HD3 LYS 67 HD1 LYS 67 -6.480 7.947 -10.900 463 HE2 LYS 67 HE2 LYS 67 -5.213 8.821 -12.829 464 HE3 LYS 67 HE1 LYS 67 -6.780 9.270 -13.527 465 HZ1 LYS 67 HZ1 LYS 67 -5.544 11.149 -12.479 466 HZ2 LYS 67 HZ2 LYS 67 -5.695 10.393 -10.979 467 HZ3 LYS 67 HZ3 LYS 67 -7.064 10.924 -11.800 468 H VAL 68 HN VAL 68 -9.064 9.306 -16.003 469 HA VAL 68 HA VAL 68 -11.522 8.452 -17.056 470 HB VAL 68 HB VAL 68 -10.773 10.705 -17.485 471 HG11 VAL 68 HG11 VAL 68 -8.390 10.417 -17.629 472 HG12 VAL 68 HG12 VAL 68 -8.979 11.243 -19.072 473 HG13 VAL 68 HG13 VAL 68 -8.555 9.532 -19.143 474 HG21 VAL 68 HG21 VAL 68 -12.343 9.835 -19.059 475 HG22 VAL 68 HG22 VAL 68 -11.057 9.068 -19.980 476 HG23 VAL 68 HG23 VAL 68 -11.172 10.828 -19.941 477 H ILE 69 HN ILE 69 -11.939 6.611 -17.774 478 HA ILE 69 HA ILE 69 -10.175 5.331 -19.724 479 HB ILE 69 HB ILE 69 -11.755 3.994 -17.472 480 HG12 ILE 69 HG12 ILE 69 -8.782 4.025 -17.976 481 HG13 ILE 69 HG11 ILE 69 -9.619 5.102 -16.862 482 HG21 ILE 69 HG21 ILE 69 -10.819 1.865 -18.268 483 HG22 ILE 69 HG22 ILE 69 -10.063 2.701 -19.624 484 HG23 ILE 69 HG23 ILE 69 -11.820 2.623 -19.507 485 HD11 ILE 69 HD11 ILE 69 -10.310 3.146 -15.540 486 HD12 ILE 69 HD12 ILE 69 -8.556 3.231 -15.694 487 HD13 ILE 69 HD13 ILE 69 -9.475 2.088 -16.677 488 H LEU 70 HN LEU 70 -11.268 4.391 -21.392 489 HA LEU 70 HA LEU 70 -13.841 5.445 -21.970 490 HB2 LEU 70 HB2 LEU 70 -12.104 3.512 -23.288 491 HB3 LEU 70 HB1 LEU 70 -13.632 3.965 -24.018 492 HG LEU 70 HG LEU 70 -11.520 5.980 -23.365 493 HD11 LEU 70 HD11 LEU 70 -10.797 5.823 -25.757 494 HD12 LEU 70 HD12 LEU 70 -11.868 4.435 -25.961 495 HD13 LEU 70 HD13 LEU 70 -10.479 4.332 -24.876 496 HD21 LEU 70 HD21 LEU 70 -12.616 7.304 -25.093 497 HD22 LEU 70 HD22 LEU 70 -13.781 6.793 -23.862 498 HD23 LEU 70 HD23 LEU 70 -13.719 5.973 -25.415 499 H THR 71 HN THR 71 -15.509 4.025 -22.628 500 HA THR 71 HA THR 71 -16.140 2.144 -20.537 501 HB THR 71 HB THR 71 -18.288 1.846 -21.864 502 HG1 THR 71 HG1 THR 71 -18.596 3.245 -23.562 503 HG21 THR 71 HG21 THR 71 -18.094 3.448 -20.027 504 HG22 THR 71 HG22 THR 71 -19.113 4.093 -21.312 505 HG23 THR 71 HG23 THR 71 -17.450 4.655 -21.138 506 H ASN 72 HN ASN 72 -14.825 2.014 -23.591 507 HA ASN 72 HA ASN 72 -15.432 -0.684 -24.332 508 HB2 ASN 72 HB2 ASN 72 -13.233 1.146 -25.306 509 HB3 ASN 72 HB1 ASN 72 -13.744 -0.359 -26.075 510 HD21 ASN 72 HD21 ASN 72 -13.673 2.382 -27.102 511 HD22 ASN 72 HD22 ASN 72 -15.273 2.729 -27.618 512 H GLY 73 HN GLY 73 -13.350 0.717 -22.068 513 HA2 GLY 73 HA2 GLY 73 -12.152 -0.559 -20.505 514 HA3 GLY 73 HA1 GLY 73 -11.984 -1.833 -21.722 515 H LYS 74 HN LYS 74 -11.450 1.257 -22.946 516 HA LYS 74 HA LYS 74 -8.579 0.716 -22.935 517 HB2 LYS 74 HB2 LYS 74 -10.278 2.247 -24.900 518 HB3 LYS 74 HB1 LYS 74 -8.540 2.036 -25.013 519 HG2 LYS 74 HG2 LYS 74 -10.610 -0.153 -25.150 520 HG3 LYS 74 HG1 LYS 74 -9.752 0.553 -26.520 521 HD2 LYS 74 HD2 LYS 74 -7.644 -0.299 -25.691 522 HD3 LYS 74 HD1 LYS 74 -8.430 -0.897 -24.229 523 HE2 LYS 74 HE2 LYS 74 -8.052 -2.717 -25.807 524 HE3 LYS 74 HE1 LYS 74 -9.772 -2.420 -25.555 525 HZ1 LYS 74 HZ1 LYS 74 -8.192 -1.480 -27.892 526 HZ2 LYS 74 HZ2 LYS 74 -9.848 -1.243 -27.670 527 HZ3 LYS 74 HZ3 LYS 74 -9.254 -2.785 -27.891 528 H GLN 75 HN GLN 75 -7.218 2.469 -22.610 529 HA GLN 75 HA GLN 75 -8.226 4.393 -20.800 530 HB2 GLN 75 HB2 GLN 75 -5.925 3.440 -20.663 531 HB3 GLN 75 HB1 GLN 75 -5.522 4.277 -22.156 532 HG2 GLN 75 HG2 GLN 75 -5.973 6.420 -21.077 533 HG3 GLN 75 HG1 GLN 75 -6.361 5.567 -19.586 534 HE21 GLN 75 HE21 GLN 75 -4.767 6.622 -18.479 535 HE22 GLN 75 HE22 GLN 75 -3.088 6.268 -18.684 536 H ALA 76 HN ALA 76 -8.612 6.483 -21.159 537 HA ALA 76 HA ALA 76 -9.319 7.299 -23.758 538 HB1 ALA 76 HB1 ALA 76 -9.136 8.826 -21.167 539 HB2 ALA 76 HB2 ALA 76 -10.556 7.979 -21.783 540 HB3 ALA 76 HB3 ALA 76 -9.930 9.393 -22.634 541 HA PRO 77 HA PRO 77 -5.700 9.320 -25.428 542 HB2 PRO 77 HB2 PRO 77 -7.258 11.850 -25.341 543 HB3 PRO 77 HB1 PRO 77 -6.416 11.086 -26.710 544 HG2 PRO 77 HG2 PRO 77 -9.049 11.025 -26.522 545 HG3 PRO 77 HG1 PRO 77 -8.118 9.654 -27.174 546 HD2 PRO 77 HD2 PRO 77 -9.502 9.881 -24.549 547 HD3 PRO 77 HD1 PRO 77 -9.147 8.454 -25.539 548 H ASP 78 HN ASP 78 -3.953 10.394 -24.733 549 HA ASP 78 HA ASP 78 -3.694 11.040 -22.015 550 HB2 ASP 78 HB2 ASP 78 -1.784 10.269 -23.266 551 HB3 ASP 78 HB1 ASP 78 -1.883 11.629 -24.367 552 H TRP 79 HN TRP 79 -4.283 13.002 -24.809 553 HA TRP 79 HA TRP 79 -3.979 15.481 -23.438 554 HB2 TRP 79 HB2 TRP 79 -4.937 16.473 -25.559 555 HB3 TRP 79 HB1 TRP 79 -3.508 15.460 -25.775 556 HD1 TRP 79 HD1 TRP 79 -3.766 13.373 -27.196 557 HE1 TRP 79 HE1 TRP 79 -5.642 12.456 -28.746 558 HE3 TRP 79 HE3 TRP 79 -7.553 16.394 -25.709 559 HZ2 TRP 79 HZ2 TRP 79 -8.355 12.979 -29.237 560 HZ3 TRP 79 HZ3 TRP 79 -9.750 16.142 -26.749 561 HH2 TRP 79 HH2 TRP 79 -10.148 14.467 -28.482 562 H LEU 80 HN LEU 80 -6.482 13.204 -23.477 563 HA LEU 80 HA LEU 80 -8.525 15.202 -23.018 564 HB2 LEU 80 HB2 LEU 80 -9.117 13.125 -24.270 565 HB3 LEU 80 HB1 LEU 80 -8.656 12.181 -22.858 566 HG LEU 80 HG LEU 80 -10.474 13.156 -21.577 567 HD11 LEU 80 HD11 LEU 80 -10.580 15.340 -22.662 568 HD12 LEU 80 HD12 LEU 80 -12.151 14.562 -22.615 569 HD13 LEU 80 HD13 LEU 80 -11.228 14.589 -24.122 570 HD21 LEU 80 HD21 LEU 80 -12.356 12.127 -22.782 571 HD22 LEU 80 HD22 LEU 80 -10.921 11.110 -22.791 572 HD23 LEU 80 HD23 LEU 80 -11.357 12.028 -24.233 573 H ALA 81 HN ALA 81 -8.315 16.145 -21.127 574 HA ALA 81 HA ALA 81 -7.129 14.570 -18.960 575 HB1 ALA 81 HB1 ALA 81 -7.286 17.559 -19.261 576 HB2 ALA 81 HB2 ALA 81 -5.879 16.558 -19.623 577 HB3 ALA 81 HB3 ALA 81 -6.473 16.682 -17.964 578 H ALA 82 HN ALA 82 -8.145 14.268 -17.117 579 HA ALA 82 HA ALA 82 -10.645 15.707 -16.622 580 HB1 ALA 82 HB1 ALA 82 -11.197 13.477 -17.482 581 HB2 ALA 82 HB2 ALA 82 -11.644 13.629 -15.784 582 HB3 ALA 82 HB3 ALA 82 -10.186 12.745 -16.237 583 H GLU 83 HN GLU 83 -10.705 16.537 -14.648 584 HA GLU 83 HA GLU 83 -8.881 15.456 -12.664 585 HB2 GLU 83 HB2 GLU 83 -8.564 17.834 -11.834 586 HB3 GLU 83 HB1 GLU 83 -7.793 17.429 -13.359 587 HG2 GLU 83 HG2 GLU 83 -9.664 18.492 -14.544 588 HG3 GLU 83 HG1 GLU 83 -10.348 18.973 -12.994 589 HA PRO 84 HA PRO 84 -12.384 14.917 -10.101 590 HB2 PRO 84 HB2 PRO 84 -10.993 15.075 -7.687 591 HB3 PRO 84 HB1 PRO 84 -11.147 13.608 -8.676 592 HG2 PRO 84 HG2 PRO 84 -8.928 15.554 -8.491 593 HG3 PRO 84 HG1 PRO 84 -8.889 13.791 -8.676 594 HD2 PRO 84 HD2 PRO 84 -8.402 15.347 -10.745 595 HD3 PRO 84 HD1 PRO 84 -9.375 13.848 -10.841 596 H TYR 85 HN TYR 85 -13.870 16.279 -9.637 597 HA TYR 85 HA TYR 85 -13.155 18.886 -8.690 598 HB2 TYR 85 HB2 TYR 85 -14.055 18.891 -10.916 599 HB3 TYR 85 HB1 TYR 85 -15.474 17.993 -10.376 600 HD1 TYR 85 HD1 TYR 85 -13.716 21.276 -10.046 601 HD2 TYR 85 HD2 TYR 85 -17.409 19.190 -9.697 602 HE1 TYR 85 HE1 TYR 85 -14.914 23.417 -9.780 603 HE2 TYR 85 HE2 TYR 85 -18.594 21.296 -9.430 604 HH TYR 85 HH TYR 85 -18.258 23.473 -8.851 Start of MODEL 5 1 H SER 7 HT1 SER 7 0.518 0.316 -17.515 2 HA SER 7 HA SER 7 2.201 -0.445 -16.010 3 HB2 SER 7 HB2 SER 7 2.092 1.954 -16.618 4 HB3 SER 7 HB1 SER 7 0.970 2.229 -15.276 5 HG SER 7 HG SER 7 3.692 1.997 -15.311 6 H GLY 8 HN GLY 8 -0.456 1.048 -14.106 7 HA2 GLY 8 HA2 GLY 8 -1.465 -0.044 -12.306 8 HA3 GLY 8 HA1 GLY 8 -0.002 -0.995 -12.090 9 H ARG 9 HN ARG 9 -1.544 2.026 -11.503 10 HA ARG 9 HA ARG 9 0.713 2.855 -9.813 11 HB2 ARG 9 HB2 ARG 9 -0.162 4.455 -11.531 12 HB3 ARG 9 HB1 ARG 9 -1.709 4.435 -10.699 13 HG2 ARG 9 HG2 ARG 9 -0.634 5.353 -8.684 14 HG3 ARG 9 HG1 ARG 9 0.905 5.409 -9.547 15 HD2 ARG 9 HD2 ARG 9 0.076 7.006 -11.077 16 HD3 ARG 9 HD1 ARG 9 -1.572 6.694 -10.502 17 HE ARG 9 HE ARG 9 -0.309 7.588 -8.288 18 HH11 ARG 9 HH11 ARG 9 -0.505 8.986 -11.516 19 HH12 ARG 9 HH12 ARG 9 -0.592 10.598 -10.961 20 HH21 ARG 9 HH21 ARG 9 -0.427 9.757 -7.541 21 HH22 ARG 9 HH22 ARG 9 -0.544 11.056 -8.649 22 H GLU 10 HN GLU 10 -1.143 0.737 -9.363 23 HA GLU 10 HA GLU 10 -2.913 1.712 -7.324 24 HB2 GLU 10 HB2 GLU 10 -3.743 -0.020 -8.835 25 HB3 GLU 10 HB1 GLU 10 -2.496 -1.123 -8.270 26 HG2 GLU 10 HG2 GLU 10 -3.458 -1.150 -6.069 27 HG3 GLU 10 HG1 GLU 10 -4.645 0.067 -6.543 28 H ASN 11 HN ASN 11 -1.439 2.508 -6.056 29 HA ASN 11 HA ASN 11 -0.499 0.723 -4.000 30 HB2 ASN 11 HB2 ASN 11 1.563 1.207 -5.223 31 HB3 ASN 11 HB1 ASN 11 1.152 2.916 -5.322 32 HD21 ASN 11 HD21 ASN 11 3.125 3.454 -4.337 33 HD22 ASN 11 HD22 ASN 11 3.383 3.282 -2.653 34 H LEU 12 HN LEU 12 -1.874 1.327 -2.612 35 HA LEU 12 HA LEU 12 -3.154 3.810 -2.766 36 HB2 LEU 12 HB2 LEU 12 -3.436 1.587 -0.796 37 HB3 LEU 12 HB1 LEU 12 -4.237 3.122 -0.544 38 HG LEU 12 HG LEU 12 -5.363 2.818 -2.759 39 HD11 LEU 12 HD11 LEU 12 -5.473 0.616 -3.757 40 HD12 LEU 12 HD12 LEU 12 -4.288 0.017 -2.596 41 HD13 LEU 12 HD13 LEU 12 -3.822 1.237 -3.781 42 HD21 LEU 12 HD21 LEU 12 -6.992 1.204 -1.938 43 HD22 LEU 12 HD22 LEU 12 -6.507 2.351 -0.686 44 HD23 LEU 12 HD23 LEU 12 -5.861 0.709 -0.679 45 H TYR 13 HN TYR 13 -1.693 5.263 -2.659 46 HA TYR 13 HA TYR 13 -0.814 5.992 0.016 47 HB2 TYR 13 HB2 TYR 13 0.915 6.230 -1.740 48 HB3 TYR 13 HB1 TYR 13 -0.196 7.186 -2.720 49 HD1 TYR 13 HD2 TYR 13 1.745 7.164 0.429 50 HD2 TYR 13 HD1 TYR 13 -0.437 9.531 -2.350 51 HE1 TYR 13 HE2 TYR 13 2.523 9.204 1.557 52 HE2 TYR 13 HE1 TYR 13 0.339 11.572 -1.228 53 HH TYR 13 HH TYR 13 1.123 12.202 1.013 54 H PHE 14 HN PHE 14 -2.144 7.274 1.040 55 HA PHE 14 HA PHE 14 -4.474 8.155 -0.328 56 HB2 PHE 14 HB2 PHE 14 -3.651 8.511 2.551 57 HB3 PHE 14 HB1 PHE 14 -5.220 8.964 1.889 58 HD1 PHE 14 HD1 PHE 14 -6.713 7.192 0.955 59 HD2 PHE 14 HD2 PHE 14 -3.178 6.260 3.140 60 HE1 PHE 14 HE1 PHE 14 -7.528 4.901 1.293 61 HE2 PHE 14 HE2 PHE 14 -3.992 3.969 3.479 62 HZ PHE 14 HZ PHE 14 -6.169 3.284 2.555 63 H GLN 15 HN GLN 15 -4.156 9.621 -1.638 64 HA GLN 15 HA GLN 15 -2.387 11.791 -1.295 65 HB2 GLN 15 HB2 GLN 15 -2.656 10.776 -3.484 66 HB3 GLN 15 HB1 GLN 15 -4.381 11.093 -3.451 67 HG2 GLN 15 HG2 GLN 15 -3.949 13.480 -3.482 68 HG3 GLN 15 HG1 GLN 15 -2.213 13.176 -3.515 69 HE21 GLN 15 HE21 GLN 15 -5.184 13.055 -5.290 70 HE22 GLN 15 HE22 GLN 15 -4.472 12.807 -6.845 71 H GLY 16 HN GLY 16 -3.233 12.613 0.444 72 HA2 GLY 16 HA2 GLY 16 -5.855 13.749 0.650 73 HA3 GLY 16 HA1 GLY 16 -4.498 14.154 1.694 74 H HIS 17 HN HIS 17 -5.058 14.521 -1.769 75 HA HIS 17 HA HIS 17 -4.087 17.259 -1.708 76 HB2 HIS 17 HB2 HIS 17 -3.678 15.545 -3.620 77 HB3 HIS 17 HB1 HIS 17 -5.355 15.824 -4.070 78 HD1 HIS 17 HD1 HIS 17 -5.710 17.756 -5.733 79 HD2 HIS 17 HD2 HIS 17 -2.035 17.930 -3.786 80 HE1 HIS 17 HE1 HIS 17 -4.419 19.612 -6.816 81 H MET 18 HN MET 18 -6.993 15.390 -1.867 82 HA MET 18 HA MET 18 -8.547 17.832 -1.467 83 HB2 MET 18 HB2 MET 18 -9.404 15.252 -2.772 84 HB3 MET 18 HB1 MET 18 -10.535 16.477 -2.226 85 HG2 MET 18 HG2 MET 18 -9.497 18.063 -3.825 86 HG3 MET 18 HG1 MET 18 -8.408 16.785 -4.358 87 HE1 MET 18 HE1 MET 18 -12.288 16.564 -3.456 88 HE2 MET 18 HE2 MET 18 -12.983 16.821 -5.058 89 HE3 MET 18 HE3 MET 18 -12.082 18.113 -4.270 90 H ALA 19 HN ALA 19 -9.558 17.904 0.409 91 HA ALA 19 HA ALA 19 -9.644 15.527 2.029 92 HB1 ALA 19 HB1 ALA 19 -10.245 18.418 2.709 93 HB2 ALA 19 HB2 ALA 19 -8.766 17.543 3.113 94 HB3 ALA 19 HB3 ALA 19 -10.294 17.088 3.866 95 H ALA 20 HN ALA 20 -11.201 16.109 -0.309 96 HA ALA 20 HA ALA 20 -13.854 15.761 0.769 97 HB1 ALA 20 HB1 ALA 20 -13.180 17.637 -1.492 98 HB2 ALA 20 HB2 ALA 20 -13.699 18.108 0.128 99 HB3 ALA 20 HB3 ALA 20 -14.807 17.244 -0.940 100 HA PRO 21 HA PRO 21 -13.847 12.611 -2.425 101 HB2 PRO 21 HB2 PRO 21 -16.456 11.869 -2.177 102 HB3 PRO 21 HB1 PRO 21 -15.224 11.366 -0.990 103 HG2 PRO 21 HG2 PRO 21 -17.270 13.493 -0.779 104 HG3 PRO 21 HG1 PRO 21 -16.653 12.391 0.465 105 HD2 PRO 21 HD2 PRO 21 -15.854 14.999 0.215 106 HD3 PRO 21 HD1 PRO 21 -14.881 13.718 0.960 107 H ALA 22 HN ALA 22 -14.082 12.982 -4.521 108 HA ALA 22 HA ALA 22 -15.557 15.320 -5.390 109 HB1 ALA 22 HB1 ALA 22 -14.484 14.961 -7.544 110 HB2 ALA 22 HB2 ALA 22 -13.870 13.405 -7.000 111 HB3 ALA 22 HB3 ALA 22 -13.287 14.893 -6.251 112 H ARG 23 HN ARG 23 -17.118 15.277 -7.030 113 HA ARG 23 HA ARG 23 -18.476 12.683 -7.256 114 HB2 ARG 23 HB2 ARG 23 -19.715 15.387 -6.880 115 HB3 ARG 23 HB1 ARG 23 -20.614 14.007 -7.489 116 HG2 ARG 23 HG2 ARG 23 -20.081 12.779 -5.446 117 HG3 ARG 23 HG1 ARG 23 -19.250 14.207 -4.826 118 HD2 ARG 23 HD2 ARG 23 -21.279 15.482 -4.915 119 HD3 ARG 23 HD1 ARG 23 -22.130 14.152 -5.686 120 HE ARG 23 HE ARG 23 -21.651 12.885 -3.630 121 HH11 ARG 23 HH11 ARG 23 -21.726 16.422 -3.488 122 HH12 ARG 23 HH12 ARG 23 -22.423 16.499 -1.941 123 HH21 ARG 23 HH21 ARG 23 -22.594 12.991 -1.464 124 HH22 ARG 23 HH22 ARG 23 -22.917 14.517 -0.756 125 H PHE 24 HN PHE 24 -17.105 15.286 -8.911 126 HA PHE 24 HA PHE 24 -18.040 14.062 -11.389 127 HB2 PHE 24 HB2 PHE 24 -17.948 17.084 -10.908 128 HB3 PHE 24 HB1 PHE 24 -18.175 16.304 -12.468 129 HD1 PHE 24 HD1 PHE 24 -19.717 16.729 -9.102 130 HD2 PHE 24 HD2 PHE 24 -20.312 15.806 -13.211 131 HE1 PHE 24 HE1 PHE 24 -22.144 16.841 -8.770 132 HE2 PHE 24 HE2 PHE 24 -22.743 15.906 -12.879 133 HZ PHE 24 HZ PHE 24 -23.663 16.427 -10.658 134 H CYS 25 HN CYS 25 -16.582 14.677 -13.192 135 HA CYS 25 HA CYS 25 -13.972 15.583 -12.313 136 HB2 CYS 25 HB2 CYS 25 -14.660 13.399 -14.297 137 HB3 CYS 25 HB1 CYS 25 -13.062 14.136 -14.160 138 H VAL 26 HN VAL 26 -13.119 17.090 -13.593 139 HA VAL 26 HA VAL 26 -14.773 18.338 -15.703 140 HB VAL 26 HB VAL 26 -12.236 19.326 -14.406 141 HG11 VAL 26 HG11 VAL 26 -12.834 20.464 -16.425 142 HG12 VAL 26 HG12 VAL 26 -13.036 21.530 -15.035 143 HG13 VAL 26 HG13 VAL 26 -14.447 20.790 -15.791 144 HG21 VAL 26 HG21 VAL 26 -15.043 19.805 -13.438 145 HG22 VAL 26 HG22 VAL 26 -13.617 20.679 -12.884 146 HG23 VAL 26 HG23 VAL 26 -13.754 18.943 -12.593 147 H TYR 27 HN TYR 27 -14.297 17.755 -17.703 148 HA TYR 27 HA TYR 27 -11.636 16.688 -18.266 149 HB2 TYR 27 HB2 TYR 27 -14.198 16.528 -19.864 150 HB3 TYR 27 HB1 TYR 27 -12.632 15.919 -20.402 151 HD1 TYR 27 HD2 TYR 27 -15.110 15.561 -17.643 152 HD2 TYR 27 HD1 TYR 27 -11.955 13.773 -19.850 153 HE1 TYR 27 HE2 TYR 27 -15.488 13.448 -16.462 154 HE2 TYR 27 HE1 TYR 27 -12.336 11.654 -18.676 155 HH TYR 27 HH TYR 27 -15.090 11.038 -16.832 156 H TYR 28 HN TYR 28 -10.345 17.430 -19.790 157 HA TYR 28 HA TYR 28 -11.045 19.957 -21.135 158 HB2 TYR 28 HB2 TYR 28 -8.428 19.308 -19.795 159 HB3 TYR 28 HB1 TYR 28 -8.739 20.706 -20.824 160 HD1 TYR 28 HD2 TYR 28 -9.245 19.166 -17.563 161 HD2 TYR 28 HD1 TYR 28 -9.949 22.600 -19.950 162 HE1 TYR 28 HE2 TYR 28 -9.789 20.450 -15.554 163 HE2 TYR 28 HE1 TYR 28 -10.493 23.895 -17.937 164 HH TYR 28 HH TYR 28 -9.885 22.617 -14.789 165 H ASP 29 HN ASP 29 -10.132 20.241 -23.060 166 HA ASP 29 HA ASP 29 -8.853 18.063 -24.485 167 HB2 ASP 29 HB2 ASP 29 -10.497 19.489 -25.673 168 HB3 ASP 29 HB1 ASP 29 -9.519 20.910 -25.284 169 H GLY 30 HN GLY 30 -6.823 17.838 -23.739 170 HA2 GLY 30 HA2 GLY 30 -4.564 18.474 -23.947 171 HA3 GLY 30 HA1 GLY 30 -5.018 20.173 -23.771 172 H HIS 31 HN HIS 31 -3.180 18.562 -22.264 173 HA HIS 31 HA HIS 31 -4.540 18.583 -19.641 174 HB2 HIS 31 HB2 HIS 31 -3.015 16.913 -18.824 175 HB3 HIS 31 HB1 HIS 31 -3.674 16.334 -20.358 176 HD1 HIS 31 HD1 HIS 31 -1.907 15.996 -22.307 177 HD2 HIS 31 HD2 HIS 31 -0.353 17.444 -18.742 178 HE1 HIS 31 HE1 HIS 31 0.578 15.783 -22.505 179 H LEU 32 HN LEU 32 -2.873 20.546 -21.344 180 HA LEU 32 HA LEU 32 -0.956 21.297 -19.267 181 HB2 LEU 32 HB2 LEU 32 -0.211 20.840 -21.647 182 HB3 LEU 32 HB1 LEU 32 -1.133 22.249 -22.126 183 HG LEU 32 HG LEU 32 0.281 23.608 -20.639 184 HD11 LEU 32 HD11 LEU 32 2.441 22.659 -19.894 185 HD12 LEU 32 HD12 LEU 32 1.939 21.078 -20.484 186 HD13 LEU 32 HD13 LEU 32 1.093 21.817 -19.135 187 HD21 LEU 32 HD21 LEU 32 1.700 22.072 -22.806 188 HD22 LEU 32 HD22 LEU 32 2.208 23.630 -22.152 189 HD23 LEU 32 HD23 LEU 32 0.677 23.491 -23.025 190 HA PRO 33 HA PRO 33 -3.964 24.228 -17.801 191 HB2 PRO 33 HB2 PRO 33 -1.864 26.138 -17.259 192 HB3 PRO 33 HB1 PRO 33 -2.855 25.217 -16.115 193 HG2 PRO 33 HG2 PRO 33 -0.151 24.727 -16.886 194 HG3 PRO 33 HG1 PRO 33 -1.143 23.885 -15.700 195 HD2 PRO 33 HD2 PRO 33 -0.258 22.849 -18.102 196 HD3 PRO 33 HD1 PRO 33 -1.551 22.161 -17.092 197 H ALA 34 HN ALA 34 -1.413 25.629 -19.789 198 HA ALA 34 HA ALA 34 -2.995 27.916 -20.458 199 HB1 ALA 34 HB1 ALA 34 -1.223 28.524 -21.988 200 HB2 ALA 34 HB2 ALA 34 -0.510 26.917 -21.834 201 HB3 ALA 34 HB3 ALA 34 -0.553 28.003 -20.444 202 H THR 35 HN THR 35 -2.492 24.825 -22.001 203 HA THR 35 HA THR 35 -3.698 25.765 -24.483 204 HB THR 35 HB THR 35 -2.528 23.042 -23.917 205 HG1 THR 35 HG1 THR 35 -1.284 25.482 -24.671 206 HG21 THR 35 HG21 THR 35 -2.031 23.117 -26.322 207 HG22 THR 35 HG22 THR 35 -2.676 24.752 -26.418 208 HG23 THR 35 HG23 THR 35 -3.751 23.409 -26.061 209 H ARG 36 HN ARG 36 -4.560 24.042 -21.658 210 HA ARG 36 HA ARG 36 -6.339 22.122 -22.671 211 HB2 ARG 36 HB2 ARG 36 -7.044 21.822 -20.367 212 HB3 ARG 36 HB1 ARG 36 -5.328 22.114 -20.407 213 HG2 ARG 36 HG2 ARG 36 -5.586 24.403 -19.790 214 HG3 ARG 36 HG1 ARG 36 -7.334 24.257 -19.847 215 HD2 ARG 36 HD2 ARG 36 -7.270 22.731 -17.952 216 HD3 ARG 36 HD1 ARG 36 -5.501 22.835 -17.910 217 HE ARG 36 HE ARG 36 -6.527 25.400 -17.933 218 HH11 ARG 36 HH11 ARG 36 -6.409 22.700 -15.592 219 HH12 ARG 36 HH12 ARG 36 -6.549 23.756 -14.263 220 HH21 ARG 36 HH21 ARG 36 -6.729 26.734 -16.098 221 HH22 ARG 36 HH22 ARG 36 -6.695 26.056 -14.528 222 H VAL 37 HN VAL 37 -8.370 22.246 -23.319 223 HA VAL 37 HA VAL 37 -9.871 24.761 -22.920 224 HB VAL 37 HB VAL 37 -10.314 22.642 -25.055 225 HG11 VAL 37 HG11 VAL 37 -11.801 24.296 -26.106 226 HG12 VAL 37 HG12 VAL 37 -11.536 25.380 -24.742 227 HG13 VAL 37 HG13 VAL 37 -12.352 23.836 -24.493 228 HG21 VAL 37 HG21 VAL 37 -9.412 24.283 -26.660 229 HG22 VAL 37 HG22 VAL 37 -8.207 23.801 -25.462 230 HG23 VAL 37 HG23 VAL 37 -9.017 25.357 -25.319 231 H LEU 38 HN LEU 38 -11.678 24.592 -21.685 232 HA LEU 38 HA LEU 38 -12.271 22.213 -20.315 233 HB2 LEU 38 HB2 LEU 38 -12.730 24.427 -19.381 234 HB3 LEU 38 HB1 LEU 38 -13.867 24.768 -20.656 235 HG LEU 38 HG LEU 38 -14.822 24.317 -18.354 236 HD11 LEU 38 HD11 LEU 38 -16.725 23.018 -19.122 237 HD12 LEU 38 HD12 LEU 38 -15.831 22.554 -20.566 238 HD13 LEU 38 HD13 LEU 38 -16.257 24.243 -20.302 239 HD21 LEU 38 HD21 LEU 38 -15.097 21.992 -17.690 240 HD22 LEU 38 HD22 LEU 38 -13.403 22.482 -17.720 241 HD23 LEU 38 HD23 LEU 38 -14.059 21.492 -19.024 242 H LEU 39 HN LEU 39 -13.528 20.530 -20.832 243 HA LEU 39 HA LEU 39 -15.095 20.751 -23.280 244 HB2 LEU 39 HB2 LEU 39 -14.078 18.322 -21.822 245 HB3 LEU 39 HB1 LEU 39 -15.112 18.257 -23.231 246 HG LEU 39 HG LEU 39 -12.328 19.425 -23.163 247 HD11 LEU 39 HD11 LEU 39 -12.318 17.011 -22.906 248 HD12 LEU 39 HD12 LEU 39 -11.715 17.480 -24.495 249 HD13 LEU 39 HD13 LEU 39 -13.354 16.845 -24.324 250 HD21 LEU 39 HD21 LEU 39 -14.243 18.977 -25.455 251 HD22 LEU 39 HD22 LEU 39 -12.560 19.455 -25.622 252 HD23 LEU 39 HD23 LEU 39 -13.703 20.538 -24.830 253 H MET 40 HN MET 40 -15.438 19.078 -20.069 254 HA MET 40 HA MET 40 -17.991 20.059 -19.500 255 HB2 MET 40 HB2 MET 40 -19.390 18.111 -19.989 256 HB3 MET 40 HB1 MET 40 -18.770 18.861 -21.468 257 HG2 MET 40 HG2 MET 40 -17.119 17.122 -21.659 258 HG3 MET 40 HG1 MET 40 -17.675 16.423 -20.145 259 HE1 MET 40 HE1 MET 40 -18.538 17.231 -23.845 260 HE2 MET 40 HE2 MET 40 -19.902 17.989 -23.017 261 HE3 MET 40 HE3 MET 40 -20.155 16.558 -24.015 262 H TYR 41 HN TYR 41 -19.092 18.869 -17.910 263 HA TYR 41 HA TYR 41 -17.181 17.704 -16.017 264 HB2 TYR 41 HB2 TYR 41 -19.881 18.995 -15.533 265 HB3 TYR 41 HB1 TYR 41 -18.728 18.468 -14.303 266 HD1 TYR 41 HD1 TYR 41 -19.218 20.935 -17.058 267 HD2 TYR 41 HD2 TYR 41 -17.079 19.981 -13.509 268 HE1 TYR 41 HE1 TYR 41 -18.256 23.190 -17.048 269 HE2 TYR 41 HE2 TYR 41 -16.097 22.250 -13.497 270 HH TYR 41 HH TYR 41 -17.313 24.736 -15.435 271 H VAL 42 HN VAL 42 -17.508 15.596 -15.475 272 HA VAL 42 HA VAL 42 -20.104 14.320 -16.126 273 HB VAL 42 HB VAL 42 -17.355 13.059 -16.371 274 HG11 VAL 42 HG11 VAL 42 -18.503 11.148 -17.384 275 HG12 VAL 42 HG12 VAL 42 -20.055 11.913 -17.040 276 HG13 VAL 42 HG13 VAL 42 -19.003 11.425 -15.716 277 HG21 VAL 42 HG21 VAL 42 -17.785 12.994 -18.792 278 HG22 VAL 42 HG22 VAL 42 -17.703 14.642 -18.171 279 HG23 VAL 42 HG23 VAL 42 -19.267 13.917 -18.540 280 H ARG 43 HN ARG 43 -20.943 13.046 -14.519 281 HA ARG 43 HA ARG 43 -19.828 13.311 -11.964 282 HB2 ARG 43 HB2 ARG 43 -22.166 13.408 -12.112 283 HB3 ARG 43 HB1 ARG 43 -22.251 11.906 -13.017 284 HG2 ARG 43 HG2 ARG 43 -21.763 10.605 -11.121 285 HG3 ARG 43 HG1 ARG 43 -21.205 12.016 -10.219 286 HD2 ARG 43 HD2 ARG 43 -23.404 11.338 -9.442 287 HD3 ARG 43 HD1 ARG 43 -23.326 12.911 -10.269 288 HE ARG 43 HE ARG 43 -24.236 11.790 -12.248 289 HH11 ARG 43 HH11 ARG 43 -24.851 10.200 -9.139 290 HH12 ARG 43 HH12 ARG 43 -26.371 9.603 -9.578 291 HH21 ARG 43 HH21 ARG 43 -26.349 11.005 -12.834 292 HH22 ARG 43 HH22 ARG 43 -27.255 10.071 -11.735 293 H ILE 44 HN ILE 44 -18.969 11.945 -10.710 294 HA ILE 44 HA ILE 44 -17.636 9.637 -11.761 295 HB ILE 44 HB ILE 44 -17.803 10.721 -8.917 296 HG12 ILE 44 HG12 ILE 44 -15.600 10.895 -10.983 297 HG13 ILE 44 HG11 ILE 44 -16.669 12.209 -10.514 298 HG21 ILE 44 HG21 ILE 44 -16.016 8.550 -10.035 299 HG22 ILE 44 HG22 ILE 44 -17.333 8.327 -8.882 300 HG23 ILE 44 HG23 ILE 44 -15.901 9.244 -8.417 301 HD11 ILE 44 HD11 ILE 44 -15.734 12.156 -8.265 302 HD12 ILE 44 HD12 ILE 44 -14.488 12.422 -9.486 303 HD13 ILE 44 HD13 ILE 44 -14.675 10.831 -8.743 304 H GLY 45 HN GLY 45 -18.749 7.971 -12.142 305 HA2 GLY 45 HA2 GLY 45 -19.923 6.095 -10.966 306 HA3 GLY 45 HA1 GLY 45 -21.075 7.337 -10.478 307 H THR 46 HN THR 46 -20.443 8.604 -13.293 308 HA THR 46 HA THR 46 -22.201 6.790 -14.778 309 HB THR 46 HB THR 46 -23.128 8.818 -15.880 310 HG1 THR 46 HG1 THR 46 -22.390 10.718 -15.419 311 HG21 THR 46 HG21 THR 46 -24.614 9.477 -14.050 312 HG22 THR 46 HG22 THR 46 -23.513 8.730 -12.894 313 HG23 THR 46 HG23 THR 46 -24.357 7.732 -14.080 314 H THR 47 HN THR 47 -22.118 6.993 -17.026 315 HA THR 47 HA THR 47 -19.481 7.709 -17.995 316 HB THR 47 HB THR 47 -20.091 6.504 -19.977 317 HG1 THR 47 HG1 THR 47 -22.063 5.857 -20.340 318 HG21 THR 47 HG21 THR 47 -20.477 4.892 -17.458 319 HG22 THR 47 HG22 THR 47 -18.950 5.249 -18.271 320 HG23 THR 47 HG23 THR 47 -20.133 4.190 -19.039 321 H ALA 48 HN ALA 48 -19.403 8.911 -19.850 322 HA ALA 48 HA ALA 48 -21.829 10.189 -20.818 323 HB1 ALA 48 HB1 ALA 48 -19.670 11.917 -19.629 324 HB2 ALA 48 HB2 ALA 48 -21.257 11.622 -18.917 325 HB3 ALA 48 HB3 ALA 48 -21.122 12.480 -20.452 326 H THR 49 HN THR 49 -21.663 11.135 -22.787 327 HA THR 49 HA THR 49 -19.366 10.315 -24.310 328 HB THR 49 HB THR 49 -21.883 11.706 -25.256 329 HG1 THR 49 HG1 THR 49 -21.909 9.096 -25.797 330 HG21 THR 49 HG21 THR 49 -19.872 9.932 -26.676 331 HG22 THR 49 HG22 THR 49 -20.004 11.683 -26.860 332 HG23 THR 49 HG23 THR 49 -21.314 10.638 -27.406 333 H ILE 50 HN ILE 50 -17.720 11.633 -24.306 334 HA ILE 50 HA ILE 50 -17.969 14.566 -24.209 335 HB ILE 50 HB ILE 50 -15.464 12.979 -24.697 336 HG12 ILE 50 HG12 ILE 50 -16.444 11.927 -22.695 337 HG13 ILE 50 HG11 ILE 50 -14.971 12.818 -22.300 338 HG21 ILE 50 HG21 ILE 50 -15.934 15.614 -23.332 339 HG22 ILE 50 HG22 ILE 50 -15.280 15.350 -24.948 340 HG23 ILE 50 HG23 ILE 50 -14.362 14.838 -23.535 341 HD11 ILE 50 HD11 ILE 50 -16.352 14.637 -21.414 342 HD12 ILE 50 HD12 ILE 50 -16.658 13.097 -20.605 343 HD13 ILE 50 HD13 ILE 50 -17.800 13.705 -21.802 344 H THR 51 HN THR 51 -17.468 15.701 -26.093 345 HA THR 51 HA THR 51 -16.605 14.093 -28.393 346 HB THR 51 HB THR 51 -18.306 16.578 -28.617 347 HG1 THR 51 HG1 THR 51 -19.013 14.109 -27.840 348 HG21 THR 51 HG21 THR 51 -17.000 15.955 -30.600 349 HG22 THR 51 HG22 THR 51 -18.727 15.747 -30.885 350 HG23 THR 51 HG23 THR 51 -17.712 14.340 -30.567 351 H ALA 52 HN ALA 52 -14.600 14.660 -28.871 352 HA ALA 52 HA ALA 52 -13.875 17.465 -28.766 353 HB1 ALA 52 HB1 ALA 52 -13.291 16.667 -26.559 354 HB2 ALA 52 HB2 ALA 52 -11.821 16.966 -27.488 355 HB3 ALA 52 HB3 ALA 52 -12.401 15.317 -27.252 356 H ARG 53 HN ARG 53 -12.507 17.998 -30.289 357 HA ARG 53 HA ARG 53 -11.375 17.963 -32.185 358 HB2 ARG 53 HB2 ARG 53 -10.151 15.495 -30.978 359 HB3 ARG 53 HB1 ARG 53 -9.515 16.337 -32.402 360 HG2 ARG 53 HG2 ARG 53 -9.231 18.361 -31.091 361 HG3 ARG 53 HG1 ARG 53 -9.887 17.530 -29.671 362 HD2 ARG 53 HD2 ARG 53 -8.082 15.917 -29.889 363 HD3 ARG 53 HD1 ARG 53 -7.328 16.932 -31.137 364 HE ARG 53 HE ARG 53 -7.986 18.325 -28.711 365 HH11 ARG 53 HH11 ARG 53 -5.383 16.401 -30.230 366 HH12 ARG 53 HH12 ARG 53 -4.157 17.099 -29.286 367 HH21 ARG 53 HH21 ARG 53 -6.302 19.263 -27.484 368 HH22 ARG 53 HH22 ARG 53 -4.670 18.777 -27.668 369 H GLY 54 HN GLY 54 -13.907 16.684 -32.164 370 HA2 GLY 54 HA2 GLY 54 -15.228 15.893 -33.905 371 HA3 GLY 54 HA1 GLY 54 -13.750 15.484 -34.788 372 H HIS 55 HN HIS 55 -13.784 14.295 -31.600 373 HA HIS 55 HA HIS 55 -14.783 11.722 -32.583 374 HB2 HIS 55 HB2 HIS 55 -12.421 12.200 -30.782 375 HB3 HIS 55 HB1 HIS 55 -13.158 10.619 -31.051 376 HD1 HIS 55 HD1 HIS 55 -12.756 9.555 -33.446 377 HD2 HIS 55 HD2 HIS 55 -10.763 13.125 -32.730 378 HE1 HIS 55 HE1 HIS 55 -10.996 9.750 -35.236 379 H GLU 56 HN GLU 56 -16.121 10.621 -31.327 380 HA GLU 56 HA GLU 56 -17.050 11.908 -28.916 381 HB2 GLU 56 HB2 GLU 56 -18.110 9.456 -30.365 382 HB3 GLU 56 HB1 GLU 56 -18.882 10.277 -29.013 383 HG2 GLU 56 HG2 GLU 56 -20.051 10.850 -31.023 384 HG3 GLU 56 HG1 GLU 56 -19.162 12.275 -30.486 385 H PHE 57 HN PHE 57 -16.540 11.092 -26.951 386 HA PHE 57 HA PHE 57 -15.317 8.431 -26.752 387 HB2 PHE 57 HB2 PHE 57 -14.622 10.924 -25.212 388 HB3 PHE 57 HB1 PHE 57 -13.884 9.334 -25.054 389 HD1 PHE 57 HD2 PHE 57 -12.555 8.473 -27.111 390 HD2 PHE 57 HD1 PHE 57 -13.764 12.526 -26.600 391 HE1 PHE 57 HE2 PHE 57 -10.836 9.187 -28.705 392 HE2 PHE 57 HE1 PHE 57 -12.052 13.238 -28.199 393 HZ PHE 57 HZ PHE 57 -10.583 11.575 -29.254 394 H GLU 58 HN GLU 58 -16.952 7.316 -25.699 395 HA GLU 58 HA GLU 58 -18.271 8.724 -23.533 396 HB2 GLU 58 HB2 GLU 58 -19.703 7.104 -24.753 397 HB3 GLU 58 HB1 GLU 58 -18.607 5.797 -24.277 398 HG2 GLU 58 HG2 GLU 58 -19.064 6.286 -21.924 399 HG3 GLU 58 HG1 GLU 58 -20.193 7.513 -22.486 400 H VAL 59 HN VAL 59 -17.282 9.023 -21.799 401 HA VAL 59 HA VAL 59 -15.189 7.157 -20.995 402 HB VAL 59 HB VAL 59 -14.267 8.967 -19.661 403 HG11 VAL 59 HG11 VAL 59 -13.610 10.510 -21.459 404 HG12 VAL 59 HG12 VAL 59 -14.883 9.833 -22.479 405 HG13 VAL 59 HG13 VAL 59 -13.539 8.821 -21.959 406 HG21 VAL 59 HG21 VAL 59 -15.183 11.251 -19.752 407 HG22 VAL 59 HG22 VAL 59 -16.321 10.124 -19.019 408 HG23 VAL 59 HG23 VAL 59 -16.556 10.657 -20.685 409 H GLU 60 HN GLU 60 -15.165 6.419 -18.907 410 HA GLU 60 HA GLU 60 -17.644 6.719 -17.396 411 HB2 GLU 60 HB2 GLU 60 -17.057 4.414 -18.066 412 HB3 GLU 60 HB1 GLU 60 -15.491 4.596 -17.274 413 HG2 GLU 60 HG2 GLU 60 -16.559 4.746 -15.118 414 HG3 GLU 60 HG1 GLU 60 -18.152 4.712 -15.871 415 H ALA 61 HN ALA 61 -17.448 8.216 -15.869 416 HA ALA 61 HA ALA 61 -14.831 8.771 -14.741 417 HB1 ALA 61 HB1 ALA 61 -17.547 9.896 -13.992 418 HB2 ALA 61 HB2 ALA 61 -16.385 10.652 -15.079 419 HB3 ALA 61 HB3 ALA 61 -16.002 10.471 -13.366 420 H LYS 62 HN LYS 62 -14.107 7.157 -13.541 421 HA LYS 62 HA LYS 62 -16.018 5.697 -11.941 422 HB2 LYS 62 HB2 LYS 62 -14.259 3.969 -11.799 423 HB3 LYS 62 HB1 LYS 62 -14.883 4.291 -13.414 424 HG2 LYS 62 HG2 LYS 62 -12.923 5.681 -13.856 425 HG3 LYS 62 HG1 LYS 62 -12.273 5.266 -12.261 426 HD2 LYS 62 HD2 LYS 62 -12.883 3.295 -14.481 427 HD3 LYS 62 HD1 LYS 62 -11.280 3.907 -14.061 428 HE2 LYS 62 HE2 LYS 62 -11.472 2.920 -11.847 429 HE3 LYS 62 HE1 LYS 62 -13.090 2.338 -12.231 430 HZ1 LYS 62 HZ1 LYS 62 -10.602 1.516 -13.610 431 HZ2 LYS 62 HZ2 LYS 62 -12.147 0.935 -13.940 432 HZ3 LYS 62 HZ3 LYS 62 -11.418 0.599 -12.459 433 H ASP 63 HN ASP 63 -13.245 7.817 -11.266 434 HA ASP 63 HA ASP 63 -13.554 7.251 -8.463 435 HB2 ASP 63 HB2 ASP 63 -11.966 5.529 -9.072 436 HB3 ASP 63 HB1 ASP 63 -11.020 6.669 -10.015 437 H GLN 64 HN GLN 64 -12.274 8.895 -7.167 438 HA GLN 64 HA GLN 64 -12.531 11.406 -8.476 439 HB2 GLN 64 HB2 GLN 64 -11.920 12.428 -6.374 440 HB3 GLN 64 HB1 GLN 64 -13.246 11.293 -6.210 441 HG2 GLN 64 HG2 GLN 64 -11.797 9.673 -5.170 442 HG3 GLN 64 HG1 GLN 64 -10.384 10.682 -5.481 443 HE21 GLN 64 HE21 GLN 64 -11.676 13.190 -4.765 444 HE22 GLN 64 HE22 GLN 64 -11.867 13.176 -3.059 445 H ASN 65 HN ASN 65 -9.988 9.295 -8.558 446 HA ASN 65 HA ASN 65 -8.074 11.477 -8.813 447 HB2 ASN 65 HB2 ASN 65 -7.801 8.475 -9.081 448 HB3 ASN 65 HB1 ASN 65 -6.512 9.578 -9.580 449 HD21 ASN 65 HD21 ASN 65 -5.350 10.678 -7.991 450 HD22 ASN 65 HD22 ASN 65 -5.408 10.239 -6.328 451 H CYS 66 HN CYS 66 -10.518 10.399 -10.441 452 HA CYS 66 HA CYS 66 -11.287 10.294 -12.477 453 HB2 CYS 66 HB2 CYS 66 -9.533 12.725 -12.786 454 HB3 CYS 66 HB1 CYS 66 -10.882 12.290 -13.847 455 H LYS 67 HN LYS 67 -9.928 8.263 -12.587 456 HA LYS 67 HA LYS 67 -8.111 8.408 -14.812 457 HB2 LYS 67 HB2 LYS 67 -8.800 6.458 -12.804 458 HB3 LYS 67 HB1 LYS 67 -8.426 5.746 -14.397 459 HG2 LYS 67 HG2 LYS 67 -6.578 5.793 -12.637 460 HG3 LYS 67 HG1 LYS 67 -6.172 6.483 -14.202 461 HD2 LYS 67 HD2 LYS 67 -7.281 8.365 -12.259 462 HD3 LYS 67 HD1 LYS 67 -5.675 7.716 -11.824 463 HE2 LYS 67 HE2 LYS 67 -4.812 8.455 -13.944 464 HE3 LYS 67 HE1 LYS 67 -6.448 8.851 -14.458 465 HZ1 LYS 67 HZ1 LYS 67 -5.194 10.858 -13.818 466 HZ2 LYS 67 HZ2 LYS 67 -4.916 10.219 -12.294 467 HZ3 LYS 67 HZ3 LYS 67 -6.463 10.630 -12.739 468 H VAL 68 HN VAL 68 -9.052 9.088 -16.287 469 HA VAL 68 HA VAL 68 -11.614 8.400 -17.137 470 HB VAL 68 HB VAL 68 -10.752 10.536 -17.760 471 HG11 VAL 68 HG11 VAL 68 -8.377 10.104 -17.820 472 HG12 VAL 68 HG12 VAL 68 -8.881 10.865 -19.328 473 HG13 VAL 68 HG13 VAL 68 -8.571 9.129 -19.273 474 HG21 VAL 68 HG21 VAL 68 -11.011 8.780 -20.185 475 HG22 VAL 68 HG22 VAL 68 -11.103 10.540 -20.208 476 HG23 VAL 68 HG23 VAL 68 -12.317 9.601 -19.335 477 H ILE 69 HN ILE 69 -12.144 6.483 -17.637 478 HA ILE 69 HA ILE 69 -10.646 5.098 -19.711 479 HB ILE 69 HB ILE 69 -12.021 3.827 -17.298 480 HG12 ILE 69 HG12 ILE 69 -9.146 3.749 -18.152 481 HG13 ILE 69 HG11 ILE 69 -9.768 4.865 -16.936 482 HG21 ILE 69 HG21 ILE 69 -11.254 1.680 -18.216 483 HG22 ILE 69 HG22 ILE 69 -10.597 2.513 -19.622 484 HG23 ILE 69 HG23 ILE 69 -12.338 2.495 -19.347 485 HD11 ILE 69 HD11 ILE 69 -8.659 2.976 -15.909 486 HD12 ILE 69 HD12 ILE 69 -9.692 1.850 -16.795 487 HD13 ILE 69 HD13 ILE 69 -10.384 2.909 -15.564 488 H LEU 70 HN LEU 70 -11.822 4.527 -21.310 489 HA LEU 70 HA LEU 70 -14.569 5.414 -21.419 490 HB2 LEU 70 HB2 LEU 70 -12.651 4.405 -23.463 491 HB3 LEU 70 HB1 LEU 70 -14.340 4.651 -23.843 492 HG LEU 70 HG LEU 70 -14.015 7.083 -23.335 493 HD11 LEU 70 HD11 LEU 70 -12.076 6.940 -21.868 494 HD12 LEU 70 HD12 LEU 70 -11.755 7.987 -23.249 495 HD13 LEU 70 HD13 LEU 70 -11.093 6.351 -23.209 496 HD21 LEU 70 HD21 LEU 70 -12.268 5.875 -25.458 497 HD22 LEU 70 HD22 LEU 70 -12.756 7.564 -25.369 498 HD23 LEU 70 HD23 LEU 70 -13.976 6.306 -25.603 499 H THR 71 HN THR 71 -16.111 4.142 -22.462 500 HA THR 71 HA THR 71 -16.418 1.578 -21.235 501 HB THR 71 HB THR 71 -18.576 1.621 -22.635 502 HG1 THR 71 HG1 THR 71 -19.038 3.843 -23.364 503 HG21 THR 71 HG21 THR 71 -19.609 3.294 -21.155 504 HG22 THR 71 HG22 THR 71 -18.004 3.874 -20.701 505 HG23 THR 71 HG23 THR 71 -18.509 2.241 -20.266 506 H ASN 72 HN ASN 72 -14.972 2.661 -23.958 507 HA ASN 72 HA ASN 72 -15.336 0.294 -25.609 508 HB2 ASN 72 HB2 ASN 72 -13.463 2.654 -25.969 509 HB3 ASN 72 HB1 ASN 72 -13.715 1.361 -27.146 510 HD21 ASN 72 HD21 ASN 72 -14.952 4.308 -25.779 511 HD22 ASN 72 HD22 ASN 72 -16.241 4.485 -26.905 512 H GLY 73 HN GLY 73 -13.611 0.987 -22.868 513 HA2 GLY 73 HA2 GLY 73 -12.131 -0.379 -21.770 514 HA3 GLY 73 HA1 GLY 73 -11.889 -1.290 -23.272 515 H LYS 74 HN LYS 74 -11.726 2.152 -23.300 516 HA LYS 74 HA LYS 74 -8.886 1.864 -23.809 517 HB2 LYS 74 HB2 LYS 74 -10.774 3.968 -24.861 518 HB3 LYS 74 HB1 LYS 74 -9.080 3.757 -25.277 519 HG2 LYS 74 HG2 LYS 74 -11.298 1.814 -25.909 520 HG3 LYS 74 HG1 LYS 74 -10.571 2.942 -27.051 521 HD2 LYS 74 HD2 LYS 74 -8.412 1.801 -26.791 522 HD3 LYS 74 HD1 LYS 74 -9.137 0.698 -25.621 523 HE2 LYS 74 HE2 LYS 74 -8.978 -0.345 -27.823 524 HE3 LYS 74 HE1 LYS 74 -10.654 -0.142 -27.330 525 HZ1 LYS 74 HZ1 LYS 74 -9.198 1.662 -29.184 526 HZ2 LYS 74 HZ2 LYS 74 -10.822 1.794 -28.769 527 HZ3 LYS 74 HZ3 LYS 74 -10.294 0.479 -29.659 528 H GLN 75 HN GLN 75 -7.516 3.235 -22.692 529 HA GLN 75 HA GLN 75 -8.756 4.674 -20.506 530 HB2 GLN 75 HB2 GLN 75 -6.817 3.036 -20.201 531 HB3 GLN 75 HB1 GLN 75 -5.790 4.267 -20.923 532 HG2 GLN 75 HG2 GLN 75 -6.356 5.824 -19.173 533 HG3 GLN 75 HG1 GLN 75 -7.474 4.657 -18.477 534 HE21 GLN 75 HE21 GLN 75 -5.272 5.966 -17.245 535 HE22 GLN 75 HE22 GLN 75 -4.192 4.730 -16.706 536 H ALA 76 HN ALA 76 -8.985 5.762 -23.110 537 HA ALA 76 HA ALA 76 -9.208 7.771 -24.028 538 HB1 ALA 76 HB1 ALA 76 -8.057 8.848 -21.469 539 HB2 ALA 76 HB2 ALA 76 -9.764 8.525 -21.784 540 HB3 ALA 76 HB3 ALA 76 -8.912 9.773 -22.699 541 HA PRO 77 HA PRO 77 -5.345 9.165 -25.916 542 HB2 PRO 77 HB2 PRO 77 -6.673 11.810 -25.934 543 HB3 PRO 77 HB1 PRO 77 -6.026 10.878 -27.305 544 HG2 PRO 77 HG2 PRO 77 -8.621 11.168 -26.981 545 HG3 PRO 77 HG1 PRO 77 -7.921 9.632 -27.554 546 HD2 PRO 77 HD2 PRO 77 -8.999 10.290 -24.847 547 HD3 PRO 77 HD1 PRO 77 -9.067 8.792 -25.801 548 H ASP 78 HN ASP 78 -3.596 10.529 -25.280 549 HA ASP 78 HA ASP 78 -3.426 10.990 -22.500 550 HB2 ASP 78 HB2 ASP 78 -1.432 10.395 -23.676 551 HB3 ASP 78 HB1 ASP 78 -1.581 11.782 -24.753 552 H TRP 79 HN TRP 79 -4.283 12.968 -25.150 553 HA TRP 79 HA TRP 79 -3.916 15.420 -23.765 554 HB2 TRP 79 HB2 TRP 79 -5.020 16.460 -25.741 555 HB3 TRP 79 HB1 TRP 79 -3.670 15.395 -26.137 556 HD1 TRP 79 HD1 TRP 79 -4.123 13.484 -27.714 557 HE1 TRP 79 HE1 TRP 79 -6.185 12.703 -29.096 558 HE3 TRP 79 HE3 TRP 79 -7.687 16.357 -25.514 559 HZ2 TRP 79 HZ2 TRP 79 -8.936 13.255 -29.200 560 HZ3 TRP 79 HZ3 TRP 79 -10.005 16.187 -26.300 561 HH2 TRP 79 HH2 TRP 79 -10.609 14.667 -28.110 562 H LEU 80 HN LEU 80 -6.294 13.064 -23.466 563 HA LEU 80 HA LEU 80 -8.327 15.024 -22.875 564 HB2 LEU 80 HB2 LEU 80 -8.977 12.937 -24.030 565 HB3 LEU 80 HB1 LEU 80 -8.389 12.005 -22.655 566 HG LEU 80 HG LEU 80 -10.128 12.955 -21.250 567 HD11 LEU 80 HD11 LEU 80 -10.388 15.137 -22.295 568 HD12 LEU 80 HD12 LEU 80 -11.942 14.304 -22.247 569 HD13 LEU 80 HD13 LEU 80 -11.033 14.383 -23.754 570 HD21 LEU 80 HD21 LEU 80 -10.629 10.896 -22.427 571 HD22 LEU 80 HD22 LEU 80 -11.178 11.809 -23.833 572 HD23 LEU 80 HD23 LEU 80 -12.074 11.900 -22.318 573 H ALA 81 HN ALA 81 -8.231 15.996 -20.993 574 HA ALA 81 HA ALA 81 -6.867 14.617 -18.791 575 HB1 ALA 81 HB1 ALA 81 -7.168 17.573 -19.283 576 HB2 ALA 81 HB2 ALA 81 -5.719 16.618 -19.595 577 HB3 ALA 81 HB3 ALA 81 -6.301 16.819 -17.942 578 H ALA 82 HN ALA 82 -7.709 14.796 -16.757 579 HA ALA 82 HA ALA 82 -10.331 16.013 -16.454 580 HB1 ALA 82 HB1 ALA 82 -10.773 13.696 -17.111 581 HB2 ALA 82 HB2 ALA 82 -11.264 13.989 -15.444 582 HB3 ALA 82 HB3 ALA 82 -9.763 13.130 -15.781 583 H GLU 83 HN GLU 83 -10.533 16.986 -14.544 584 HA GLU 83 HA GLU 83 -8.711 16.241 -12.389 585 HB2 GLU 83 HB2 GLU 83 -8.747 18.578 -11.607 586 HB3 GLU 83 HB1 GLU 83 -8.140 18.502 -13.251 587 HG2 GLU 83 HG2 GLU 83 -10.208 19.296 -14.122 588 HG3 GLU 83 HG1 GLU 83 -10.979 19.175 -12.549 589 HA PRO 84 HA PRO 84 -12.395 15.214 -10.221 590 HB2 PRO 84 HB2 PRO 84 -11.506 15.711 -7.666 591 HB3 PRO 84 HB1 PRO 84 -11.072 14.259 -8.598 592 HG2 PRO 84 HG2 PRO 84 -9.567 16.782 -8.211 593 HG3 PRO 84 HG1 PRO 84 -8.993 15.097 -8.135 594 HD2 PRO 84 HD2 PRO 84 -8.539 16.508 -10.321 595 HD3 PRO 84 HD1 PRO 84 -9.105 14.816 -10.398 596 H TYR 85 HN TYR 85 -14.201 16.139 -9.490 597 HA TYR 85 HA TYR 85 -14.121 18.929 -8.772 598 HB2 TYR 85 HB2 TYR 85 -15.054 18.638 -10.994 599 HB3 TYR 85 HB1 TYR 85 -16.190 17.439 -10.365 600 HD1 TYR 85 HD2 TYR 85 -18.154 18.189 -9.075 601 HD2 TYR 85 HD1 TYR 85 -15.402 21.003 -10.685 602 HE1 TYR 85 HE2 TYR 85 -19.788 19.977 -8.715 603 HE2 TYR 85 HE1 TYR 85 -17.036 22.803 -10.324 604 HH TYR 85 HH TYR 85 -19.481 22.975 -10.146 Start of MODEL 6 1 H SER 7 HT1 SER 7 -16.609 35.562 -11.774 2 HA SER 7 HA SER 7 -17.415 34.463 -9.869 3 HB2 SER 7 HB2 SER 7 -20.047 34.370 -11.360 4 HB3 SER 7 HB1 SER 7 -19.728 33.755 -9.725 5 HG SER 7 HG SER 7 -19.777 35.683 -8.949 6 H GLY 8 HN GLY 8 -16.940 32.287 -9.862 7 HA2 GLY 8 HA2 GLY 8 -17.474 30.192 -11.237 8 HA3 GLY 8 HA1 GLY 8 -16.727 31.106 -12.541 9 H ARG 9 HN ARG 9 -15.174 31.928 -9.743 10 HA ARG 9 HA ARG 9 -12.997 30.186 -10.407 11 HB2 ARG 9 HB2 ARG 9 -13.232 32.454 -8.456 12 HB3 ARG 9 HB1 ARG 9 -11.811 31.430 -8.540 13 HG2 ARG 9 HG2 ARG 9 -11.483 32.085 -10.875 14 HG3 ARG 9 HG1 ARG 9 -12.898 33.138 -10.765 15 HD2 ARG 9 HD2 ARG 9 -11.846 34.486 -9.106 16 HD3 ARG 9 HD1 ARG 9 -10.502 33.355 -8.967 17 HE ARG 9 HE ARG 9 -10.607 34.178 -11.601 18 HH11 ARG 9 HH11 ARG 9 -10.125 35.698 -8.455 19 HH12 ARG 9 HH12 ARG 9 -9.008 36.851 -9.019 20 HH21 ARG 9 HH21 ARG 9 -9.046 35.702 -12.377 21 HH22 ARG 9 HH22 ARG 9 -8.371 36.853 -11.326 22 H GLU 10 HN GLU 10 -14.334 28.428 -9.893 23 HA GLU 10 HA GLU 10 -13.957 27.620 -7.144 24 HB2 GLU 10 HB2 GLU 10 -15.992 26.256 -7.452 25 HB3 GLU 10 HB1 GLU 10 -16.277 27.995 -7.484 26 HG2 GLU 10 HG2 GLU 10 -16.263 27.840 -9.963 27 HG3 GLU 10 HG1 GLU 10 -16.161 26.085 -9.729 28 H ASN 11 HN ASN 11 -12.211 27.545 -9.154 29 HA ASN 11 HA ASN 11 -12.029 25.127 -10.643 30 HB2 ASN 11 HB2 ASN 11 -10.825 27.199 -11.242 31 HB3 ASN 11 HB1 ASN 11 -9.863 27.064 -9.776 32 HD21 ASN 11 HD21 ASN 11 -8.200 25.546 -9.706 33 HD22 ASN 11 HD22 ASN 11 -7.679 24.669 -11.088 34 H LEU 12 HN LEU 12 -10.715 26.278 -7.593 35 HA LEU 12 HA LEU 12 -10.531 23.552 -6.687 36 HB2 LEU 12 HB2 LEU 12 -8.238 24.717 -7.367 37 HB3 LEU 12 HB1 LEU 12 -8.497 25.626 -5.900 38 HG LEU 12 HG LEU 12 -8.378 22.724 -6.065 39 HD11 LEU 12 HD11 LEU 12 -6.203 23.650 -6.689 40 HD12 LEU 12 HD12 LEU 12 -6.056 22.974 -5.064 41 HD13 LEU 12 HD13 LEU 12 -6.222 24.716 -5.282 42 HD21 LEU 12 HD21 LEU 12 -9.542 23.415 -4.070 43 HD22 LEU 12 HD22 LEU 12 -8.247 24.538 -3.653 44 HD23 LEU 12 HD23 LEU 12 -7.960 22.800 -3.590 45 H TYR 13 HN TYR 13 -12.513 24.005 -5.751 46 HA TYR 13 HA TYR 13 -12.514 26.108 -3.695 47 HB2 TYR 13 HB2 TYR 13 -14.090 26.462 -5.602 48 HB3 TYR 13 HB1 TYR 13 -14.879 24.951 -5.199 49 HD1 TYR 13 HD1 TYR 13 -14.088 28.318 -3.827 50 HD2 TYR 13 HD2 TYR 13 -16.677 24.945 -3.687 51 HE1 TYR 13 HE1 TYR 13 -15.624 29.566 -2.364 52 HE2 TYR 13 HE2 TYR 13 -18.216 26.182 -2.217 53 HH TYR 13 HH TYR 13 -17.966 29.549 -1.727 54 H PHE 14 HN PHE 14 -12.739 25.374 -1.680 55 HA PHE 14 HA PHE 14 -13.247 22.529 -1.387 56 HB2 PHE 14 HB2 PHE 14 -11.153 23.621 -0.473 57 HB3 PHE 14 HB1 PHE 14 -12.183 24.398 0.725 58 HD1 PHE 14 HD1 PHE 14 -13.258 23.046 2.477 59 HD2 PHE 14 HD2 PHE 14 -10.655 21.296 -0.388 60 HE1 PHE 14 HE1 PHE 14 -13.068 21.042 3.878 61 HE2 PHE 14 HE2 PHE 14 -10.463 19.281 1.005 62 HZ PHE 14 HZ PHE 14 -11.670 19.153 3.141 63 H GLN 15 HN GLN 15 -15.258 22.112 -1.126 64 HA GLN 15 HA GLN 15 -16.752 23.493 0.961 65 HB2 GLN 15 HB2 GLN 15 -17.360 24.124 -1.488 66 HB3 GLN 15 HB1 GLN 15 -18.093 22.527 -1.539 67 HG2 GLN 15 HG2 GLN 15 -18.822 24.794 0.323 68 HG3 GLN 15 HG1 GLN 15 -19.750 24.223 -1.048 69 HE21 GLN 15 HE21 GLN 15 -20.884 22.256 -0.836 70 HE22 GLN 15 HE22 GLN 15 -21.225 21.566 0.707 71 H GLY 16 HN GLY 16 -16.557 21.944 2.297 72 HA2 GLY 16 HA2 GLY 16 -18.244 19.773 2.328 73 HA3 GLY 16 HA1 GLY 16 -16.707 19.167 1.707 74 H HIS 17 HN HIS 17 -18.055 18.585 4.257 75 HA HIS 17 HA HIS 17 -16.263 19.874 6.161 76 HB2 HIS 17 HB2 HIS 17 -18.667 18.070 6.589 77 HB3 HIS 17 HB1 HIS 17 -17.709 18.821 7.859 78 HD1 HIS 17 HD1 HIS 17 -18.400 21.197 8.553 79 HD2 HIS 17 HD2 HIS 17 -20.122 19.958 4.976 80 HE1 HIS 17 HE1 HIS 17 -20.054 22.974 7.925 81 H MET 18 HN MET 18 -15.880 17.703 4.129 82 HA MET 18 HA MET 18 -14.552 15.680 5.797 83 HB2 MET 18 HB2 MET 18 -15.812 15.424 3.077 84 HB3 MET 18 HB1 MET 18 -14.886 14.166 3.852 85 HG2 MET 18 HG2 MET 18 -17.077 13.552 4.169 86 HG3 MET 18 HG1 MET 18 -16.635 14.297 5.697 87 HE1 MET 18 HE1 MET 18 -20.443 15.267 5.303 88 HE2 MET 18 HE2 MET 18 -19.246 14.464 6.320 89 HE3 MET 18 HE3 MET 18 -19.685 13.772 4.758 90 H ALA 19 HN ALA 19 -12.792 14.654 4.295 91 HA ALA 19 HA ALA 19 -11.303 16.651 2.929 92 HB1 ALA 19 HB1 ALA 19 -9.808 14.751 2.309 93 HB2 ALA 19 HB2 ALA 19 -10.978 13.631 3.006 94 HB3 ALA 19 HB3 ALA 19 -10.134 14.781 4.042 95 H ALA 20 HN ALA 20 -12.695 17.374 1.507 96 HA ALA 20 HA ALA 20 -14.705 16.575 0.143 97 HB1 ALA 20 HB1 ALA 20 -12.600 18.227 -1.186 98 HB2 ALA 20 HB2 ALA 20 -13.753 18.794 0.024 99 HB3 ALA 20 HB3 ALA 20 -14.330 18.215 -1.541 100 HA PRO 21 HA PRO 21 -13.501 13.213 -2.583 101 HB2 PRO 21 HB2 PRO 21 -16.415 12.922 -2.754 102 HB3 PRO 21 HB1 PRO 21 -15.219 11.748 -2.154 103 HG2 PRO 21 HG2 PRO 21 -16.968 12.945 -0.531 104 HG3 PRO 21 HG1 PRO 21 -15.331 12.487 -0.019 105 HD2 PRO 21 HD2 PRO 21 -16.365 15.193 -0.752 106 HD3 PRO 21 HD1 PRO 21 -15.234 14.689 0.520 107 H ALA 22 HN ALA 22 -13.790 13.063 -4.847 108 HA ALA 22 HA ALA 22 -14.423 15.512 -6.153 109 HB1 ALA 22 HB1 ALA 22 -12.669 14.013 -6.991 110 HB2 ALA 22 HB2 ALA 22 -13.906 14.311 -8.217 111 HB3 ALA 22 HB3 ALA 22 -13.890 12.786 -7.332 112 H ARG 23 HN ARG 23 -16.211 16.104 -7.114 113 HA ARG 23 HA ARG 23 -18.580 14.410 -6.796 114 HB2 ARG 23 HB2 ARG 23 -18.180 17.353 -7.285 115 HB3 ARG 23 HB1 ARG 23 -19.758 16.577 -7.202 116 HG2 ARG 23 HG2 ARG 23 -19.719 16.463 -4.972 117 HG3 ARG 23 HG1 ARG 23 -18.018 15.999 -4.934 118 HD2 ARG 23 HD2 ARG 23 -18.957 18.787 -5.514 119 HD3 ARG 23 HD1 ARG 23 -18.567 18.208 -3.890 120 HE ARG 23 HE ARG 23 -16.577 18.169 -6.085 121 HH11 ARG 23 HH11 ARG 23 -17.539 19.205 -2.836 122 HH12 ARG 23 HH12 ARG 23 -15.975 19.702 -2.386 123 HH21 ARG 23 HH21 ARG 23 -14.482 18.871 -5.480 124 HH22 ARG 23 HH22 ARG 23 -14.174 19.523 -3.932 125 H PHE 24 HN PHE 24 -16.950 16.496 -9.077 126 HA PHE 24 HA PHE 24 -18.128 14.894 -11.231 127 HB2 PHE 24 HB2 PHE 24 -17.508 17.882 -11.346 128 HB3 PHE 24 HB1 PHE 24 -18.072 16.880 -12.678 129 HD1 PHE 24 HD1 PHE 24 -20.382 16.204 -12.812 130 HD2 PHE 24 HD2 PHE 24 -18.985 18.633 -9.618 131 HE1 PHE 24 HE1 PHE 24 -22.697 16.817 -12.266 132 HE2 PHE 24 HE2 PHE 24 -21.295 19.241 -9.057 133 HZ PHE 24 HZ PHE 24 -23.157 18.337 -10.382 134 H CYS 25 HN CYS 25 -16.717 15.219 -13.196 135 HA CYS 25 HA CYS 25 -13.957 15.817 -12.488 136 HB2 CYS 25 HB2 CYS 25 -14.399 13.285 -12.844 137 HB3 CYS 25 HB1 CYS 25 -14.784 13.784 -14.507 138 H VAL 26 HN VAL 26 -12.984 16.963 -14.004 139 HA VAL 26 HA VAL 26 -14.759 18.142 -16.060 140 HB VAL 26 HB VAL 26 -12.260 19.439 -15.049 141 HG11 VAL 26 HG11 VAL 26 -13.426 21.477 -15.674 142 HG12 VAL 26 HG12 VAL 26 -14.826 20.514 -16.148 143 HG13 VAL 26 HG13 VAL 26 -13.300 20.339 -17.017 144 HG21 VAL 26 HG21 VAL 26 -13.513 18.957 -13.026 145 HG22 VAL 26 HG22 VAL 26 -14.954 19.704 -13.725 146 HG23 VAL 26 HG23 VAL 26 -13.524 20.685 -13.381 147 H TYR 27 HN TYR 27 -14.230 17.760 -18.033 148 HA TYR 27 HA TYR 27 -11.541 16.776 -18.592 149 HB2 TYR 27 HB2 TYR 27 -14.100 16.432 -20.162 150 HB3 TYR 27 HB1 TYR 27 -12.501 15.938 -20.717 151 HD1 TYR 27 HD1 TYR 27 -15.056 15.338 -18.087 152 HD2 TYR 27 HD2 TYR 27 -11.554 13.871 -20.005 153 HE1 TYR 27 HE1 TYR 27 -15.314 13.193 -16.925 154 HE2 TYR 27 HE2 TYR 27 -11.812 11.733 -18.848 155 HH TYR 27 HH TYR 27 -14.646 10.853 -17.222 156 H TYR 28 HN TYR 28 -10.299 17.712 -20.023 157 HA TYR 28 HA TYR 28 -11.275 20.130 -21.390 158 HB2 TYR 28 HB2 TYR 28 -8.604 19.846 -19.997 159 HB3 TYR 28 HB1 TYR 28 -9.149 21.221 -20.950 160 HD1 TYR 28 HD1 TYR 28 -10.706 22.821 -19.997 161 HD2 TYR 28 HD2 TYR 28 -9.372 19.467 -17.748 162 HE1 TYR 28 HE1 TYR 28 -11.488 23.901 -17.934 163 HE2 TYR 28 HE2 TYR 28 -10.158 20.536 -15.681 164 HH TYR 28 HH TYR 28 -10.607 22.749 -14.872 165 H ASP 29 HN ASP 29 -10.184 20.611 -23.269 166 HA ASP 29 HA ASP 29 -8.836 18.453 -24.678 167 HB2 ASP 29 HB2 ASP 29 -10.517 19.813 -25.889 168 HB3 ASP 29 HB1 ASP 29 -9.571 21.267 -25.533 169 H GLY 30 HN GLY 30 -6.739 18.271 -24.210 170 HA2 GLY 30 HA2 GLY 30 -4.576 19.151 -24.687 171 HA3 GLY 30 HA1 GLY 30 -5.100 20.726 -24.084 172 H HIS 31 HN HIS 31 -3.006 18.913 -23.313 173 HA HIS 31 HA HIS 31 -3.891 18.124 -20.629 174 HB2 HIS 31 HB2 HIS 31 -1.914 16.712 -20.462 175 HB3 HIS 31 HB1 HIS 31 -2.772 16.362 -21.966 176 HD1 HIS 31 HD1 HIS 31 0.532 16.780 -20.730 177 HD2 HIS 31 HD2 HIS 31 -1.430 17.896 -24.211 178 HE1 HIS 31 HE1 HIS 31 2.341 17.240 -22.447 179 H LEU 32 HN LEU 32 -2.700 20.762 -21.970 180 HA LEU 32 HA LEU 32 -0.797 21.347 -19.861 181 HB2 LEU 32 HB2 LEU 32 -0.246 21.897 -22.233 182 HB3 LEU 32 HB1 LEU 32 -1.611 22.996 -22.257 183 HG LEU 32 HG LEU 32 -0.507 24.264 -20.402 184 HD11 LEU 32 HD11 LEU 32 1.890 23.961 -20.071 185 HD12 LEU 32 HD12 LEU 32 1.861 22.559 -21.141 186 HD13 LEU 32 HD13 LEU 32 1.007 22.505 -19.605 187 HD21 LEU 32 HD21 LEU 32 1.092 25.380 -21.877 188 HD22 LEU 32 HD22 LEU 32 -0.451 25.052 -22.672 189 HD23 LEU 32 HD23 LEU 32 0.954 24.036 -23.016 190 HA PRO 33 HA PRO 33 -4.367 23.056 -17.755 191 HB2 PRO 33 HB2 PRO 33 -3.024 24.065 -15.597 192 HB3 PRO 33 HB1 PRO 33 -3.405 22.339 -15.779 193 HG2 PRO 33 HG2 PRO 33 -0.864 23.760 -16.307 194 HG3 PRO 33 HG1 PRO 33 -1.141 22.175 -15.571 195 HD2 PRO 33 HD2 PRO 33 -0.353 22.461 -18.126 196 HD3 PRO 33 HD1 PRO 33 -1.375 21.106 -17.600 197 H ALA 34 HN ALA 34 -1.871 24.753 -19.098 198 HA ALA 34 HA ALA 34 -2.640 27.387 -18.249 199 HB1 ALA 34 HB1 ALA 34 -1.031 28.188 -19.885 200 HB2 ALA 34 HB2 ALA 34 -0.858 26.560 -20.534 201 HB3 ALA 34 HB3 ALA 34 -0.326 26.915 -18.890 202 H THR 35 HN THR 35 -2.756 25.757 -21.464 203 HA THR 35 HA THR 35 -4.709 27.752 -22.297 204 HB THR 35 HB THR 35 -3.833 26.924 -24.579 205 HG1 THR 35 HG1 THR 35 -2.451 25.356 -24.346 206 HG21 THR 35 HG21 THR 35 -2.019 28.415 -22.658 207 HG22 THR 35 HG22 THR 35 -3.316 29.137 -23.612 208 HG23 THR 35 HG23 THR 35 -1.905 28.454 -24.418 209 H ARG 36 HN ARG 36 -5.104 24.846 -21.046 210 HA ARG 36 HA ARG 36 -6.274 23.317 -23.110 211 HB2 ARG 36 HB2 ARG 36 -6.954 21.782 -21.446 212 HB3 ARG 36 HB1 ARG 36 -5.456 22.467 -20.864 213 HG2 ARG 36 HG2 ARG 36 -8.235 23.113 -19.903 214 HG3 ARG 36 HG1 ARG 36 -6.999 22.211 -19.045 215 HD2 ARG 36 HD2 ARG 36 -5.627 24.261 -18.946 216 HD3 ARG 36 HD1 ARG 36 -6.910 25.131 -19.785 217 HE ARG 36 HE ARG 36 -7.096 23.908 -17.156 218 HH11 ARG 36 HH11 ARG 36 -8.105 26.451 -19.432 219 HH12 ARG 36 HH12 ARG 36 -9.229 27.148 -18.378 220 HH21 ARG 36 HH21 ARG 36 -8.670 24.891 -15.712 221 HH22 ARG 36 HH22 ARG 36 -9.579 26.237 -16.194 222 H VAL 37 HN VAL 37 -8.455 22.842 -23.547 223 HA VAL 37 HA VAL 37 -10.259 25.147 -23.127 224 HB VAL 37 HB VAL 37 -10.420 22.984 -25.244 225 HG11 VAL 37 HG11 VAL 37 -11.879 25.609 -25.013 226 HG12 VAL 37 HG12 VAL 37 -12.571 24.001 -24.798 227 HG13 VAL 37 HG13 VAL 37 -11.983 24.504 -26.381 228 HG21 VAL 37 HG21 VAL 37 -9.576 24.645 -26.840 229 HG22 VAL 37 HG22 VAL 37 -8.393 24.325 -25.567 230 HG23 VAL 37 HG23 VAL 37 -9.366 25.797 -25.528 231 H LEU 38 HN LEU 38 -12.081 24.822 -21.961 232 HA LEU 38 HA LEU 38 -12.633 22.449 -20.587 233 HB2 LEU 38 HB2 LEU 38 -13.338 24.677 -19.824 234 HB3 LEU 38 HB1 LEU 38 -14.407 24.836 -21.190 235 HG LEU 38 HG LEU 38 -15.472 24.391 -18.914 236 HD11 LEU 38 HD11 LEU 38 -17.196 22.891 -19.767 237 HD12 LEU 38 HD12 LEU 38 -16.163 22.481 -21.138 238 HD13 LEU 38 HD13 LEU 38 -16.764 24.127 -20.947 239 HD21 LEU 38 HD21 LEU 38 -14.435 21.619 -19.439 240 HD22 LEU 38 HD22 LEU 38 -15.564 22.078 -18.163 241 HD23 LEU 38 HD23 LEU 38 -13.913 22.696 -18.146 242 H LEU 39 HN LEU 39 -13.665 20.597 -21.127 243 HA LEU 39 HA LEU 39 -15.186 20.587 -23.621 244 HB2 LEU 39 HB2 LEU 39 -13.857 18.332 -22.140 245 HB3 LEU 39 HB1 LEU 39 -14.895 18.117 -23.531 246 HG LEU 39 HG LEU 39 -12.271 19.601 -23.527 247 HD11 LEU 39 HD11 LEU 39 -13.029 16.878 -24.564 248 HD12 LEU 39 HD12 LEU 39 -11.960 17.230 -23.206 249 HD13 LEU 39 HD13 LEU 39 -11.486 17.683 -24.840 250 HD21 LEU 39 HD21 LEU 39 -13.783 20.503 -25.201 251 HD22 LEU 39 HD22 LEU 39 -14.166 18.879 -25.764 252 HD23 LEU 39 HD23 LEU 39 -12.547 19.526 -25.995 253 H MET 40 HN MET 40 -15.295 18.905 -20.409 254 HA MET 40 HA MET 40 -18.089 19.444 -20.177 255 HB2 MET 40 HB2 MET 40 -17.322 17.034 -21.551 256 HB3 MET 40 HB1 MET 40 -18.174 16.669 -20.043 257 HG2 MET 40 HG2 MET 40 -20.009 18.099 -20.749 258 HG3 MET 40 HG1 MET 40 -19.108 18.485 -22.209 259 HE1 MET 40 HE1 MET 40 -19.544 15.003 -20.363 260 HE2 MET 40 HE2 MET 40 -20.926 14.352 -21.242 261 HE3 MET 40 HE3 MET 40 -21.123 15.782 -20.232 262 H TYR 41 HN TYR 41 -19.049 18.402 -18.462 263 HA TYR 41 HA TYR 41 -17.218 17.709 -16.276 264 HB2 TYR 41 HB2 TYR 41 -19.912 19.095 -16.246 265 HB3 TYR 41 HB1 TYR 41 -19.077 18.515 -14.802 266 HD1 TYR 41 HD1 TYR 41 -18.857 20.911 -17.632 267 HD2 TYR 41 HD2 TYR 41 -17.420 19.846 -13.777 268 HE1 TYR 41 HE1 TYR 41 -17.678 23.054 -17.490 269 HE2 TYR 41 HE2 TYR 41 -16.231 21.992 -13.628 270 HH TYR 41 HH TYR 41 -16.810 24.504 -15.852 271 H VAL 42 HN VAL 42 -17.537 15.753 -15.415 272 HA VAL 42 HA VAL 42 -20.003 14.259 -16.113 273 HB VAL 42 HB VAL 42 -17.205 13.124 -15.835 274 HG11 VAL 42 HG11 VAL 42 -18.173 11.037 -16.710 275 HG12 VAL 42 HG12 VAL 42 -19.773 11.783 -16.676 276 HG13 VAL 42 HG13 VAL 42 -18.894 11.519 -15.174 277 HG21 VAL 42 HG21 VAL 42 -18.845 13.576 -18.320 278 HG22 VAL 42 HG22 VAL 42 -17.309 12.710 -18.257 279 HG23 VAL 42 HG23 VAL 42 -17.371 14.430 -17.866 280 H ARG 43 HN ARG 43 -21.011 13.311 -14.391 281 HA ARG 43 HA ARG 43 -20.170 13.877 -11.759 282 HB2 ARG 43 HB2 ARG 43 -22.543 13.622 -12.392 283 HB3 ARG 43 HB1 ARG 43 -22.258 11.941 -12.801 284 HG2 ARG 43 HG2 ARG 43 -23.344 12.058 -10.656 285 HG3 ARG 43 HG1 ARG 43 -21.686 11.500 -10.430 286 HD2 ARG 43 HD2 ARG 43 -21.026 13.796 -9.836 287 HD3 ARG 43 HD1 ARG 43 -22.702 14.302 -10.002 288 HE ARG 43 HE ARG 43 -22.413 12.137 -8.178 289 HH11 ARG 43 HH11 ARG 43 -22.321 15.647 -8.456 290 HH12 ARG 43 HH12 ARG 43 -22.318 15.975 -6.794 291 HH21 ARG 43 HH21 ARG 43 -22.436 12.511 -5.873 292 HH22 ARG 43 HH22 ARG 43 -22.379 14.088 -5.238 293 H ILE 44 HN ILE 44 -18.947 12.688 -10.462 294 HA ILE 44 HA ILE 44 -17.467 10.484 -11.402 295 HB ILE 44 HB ILE 44 -17.892 11.454 -8.560 296 HG12 ILE 44 HG12 ILE 44 -16.746 12.959 -10.123 297 HG13 ILE 44 HG11 ILE 44 -15.696 12.470 -8.786 298 HG21 ILE 44 HG21 ILE 44 -15.906 9.390 -9.525 299 HG22 ILE 44 HG22 ILE 44 -17.304 9.084 -8.497 300 HG23 ILE 44 HG23 ILE 44 -15.971 10.074 -7.898 301 HD11 ILE 44 HD11 ILE 44 -14.645 10.834 -10.351 302 HD12 ILE 44 HD12 ILE 44 -14.451 12.515 -10.835 303 HD13 ILE 44 HD13 ILE 44 -15.641 11.499 -11.651 304 H GLY 45 HN GLY 45 -18.058 8.574 -11.733 305 HA2 GLY 45 HA2 GLY 45 -18.884 6.491 -10.807 306 HA3 GLY 45 HA1 GLY 45 -20.244 7.403 -10.158 307 H THR 46 HN THR 46 -19.876 8.880 -12.967 308 HA THR 46 HA THR 46 -21.692 6.994 -14.305 309 HB THR 46 HB THR 46 -22.794 8.926 -15.352 310 HG1 THR 46 HG1 THR 46 -20.816 10.358 -13.938 311 HG21 THR 46 HG21 THR 46 -23.714 8.065 -13.253 312 HG22 THR 46 HG22 THR 46 -23.937 9.812 -13.359 313 HG23 THR 46 HG23 THR 46 -22.661 9.145 -12.342 314 H THR 47 HN THR 47 -21.833 7.172 -16.545 315 HA THR 47 HA THR 47 -19.264 7.647 -17.848 316 HB THR 47 HB THR 47 -20.313 6.459 -19.718 317 HG1 THR 47 HG1 THR 47 -22.465 6.593 -19.438 318 HG21 THR 47 HG21 THR 47 -18.925 5.192 -18.168 319 HG22 THR 47 HG22 THR 47 -20.272 4.187 -18.694 320 HG23 THR 47 HG23 THR 47 -20.304 4.944 -17.099 321 H ALA 48 HN ALA 48 -19.302 8.730 -19.804 322 HA ALA 48 HA ALA 48 -21.583 10.369 -20.535 323 HB1 ALA 48 HB1 ALA 48 -19.150 11.759 -19.459 324 HB2 ALA 48 HB2 ALA 48 -20.715 11.644 -18.649 325 HB3 ALA 48 HB3 ALA 48 -20.567 12.528 -20.171 326 H THR 49 HN THR 49 -21.359 11.517 -22.425 327 HA THR 49 HA THR 49 -19.326 10.393 -24.178 328 HB THR 49 HB THR 49 -21.685 12.061 -25.009 329 HG1 THR 49 HG1 THR 49 -21.646 9.247 -24.470 330 HG21 THR 49 HG21 THR 49 -21.520 10.683 -27.023 331 HG22 THR 49 HG22 THR 49 -20.214 9.753 -26.292 332 HG23 THR 49 HG23 THR 49 -19.972 11.459 -26.679 333 H ILE 50 HN ILE 50 -17.548 11.697 -24.119 334 HA ILE 50 HA ILE 50 -17.847 14.633 -24.115 335 HB ILE 50 HB ILE 50 -15.289 13.074 -24.375 336 HG12 ILE 50 HG12 ILE 50 -16.450 12.186 -22.379 337 HG13 ILE 50 HG11 ILE 50 -14.989 13.075 -21.940 338 HG21 ILE 50 HG21 ILE 50 -14.285 15.053 -23.294 339 HG22 ILE 50 HG22 ILE 50 -15.878 15.803 -23.229 340 HG23 ILE 50 HG23 ILE 50 -15.134 15.453 -24.788 341 HD11 ILE 50 HD11 ILE 50 -17.824 14.075 -21.748 342 HD12 ILE 50 HD12 ILE 50 -16.377 14.983 -21.300 343 HD13 ILE 50 HD13 ILE 50 -16.819 13.527 -20.406 344 H THR 51 HN THR 51 -17.274 15.754 -25.936 345 HA THR 51 HA THR 51 -16.529 14.187 -28.306 346 HB THR 51 HB THR 51 -18.286 16.649 -28.323 347 HG1 THR 51 HG1 THR 51 -18.874 14.173 -27.638 348 HG21 THR 51 HG21 THR 51 -18.758 15.964 -30.645 349 HG22 THR 51 HG22 THR 51 -17.658 14.599 -30.465 350 HG23 THR 51 HG23 THR 51 -17.034 16.246 -30.405 351 H ALA 52 HN ALA 52 -14.531 14.698 -28.843 352 HA ALA 52 HA ALA 52 -13.754 17.488 -28.898 353 HB1 ALA 52 HB1 ALA 52 -11.688 17.050 -27.671 354 HB2 ALA 52 HB2 ALA 52 -12.239 15.403 -27.348 355 HB3 ALA 52 HB3 ALA 52 -13.120 16.776 -26.680 356 H ARG 53 HN ARG 53 -12.531 17.910 -30.553 357 HA ARG 53 HA ARG 53 -11.320 17.786 -32.398 358 HB2 ARG 53 HB2 ARG 53 -10.055 15.448 -31.004 359 HB3 ARG 53 HB1 ARG 53 -9.398 16.243 -32.443 360 HG2 ARG 53 HG2 ARG 53 -9.274 18.353 -31.205 361 HG3 ARG 53 HG1 ARG 53 -9.889 17.521 -29.769 362 HD2 ARG 53 HD2 ARG 53 -8.004 16.022 -29.908 363 HD3 ARG 53 HD1 ARG 53 -7.307 17.008 -31.211 364 HE ARG 53 HE ARG 53 -8.029 18.483 -28.849 365 HH11 ARG 53 HH11 ARG 53 -5.383 16.603 -30.275 366 HH12 ARG 53 HH12 ARG 53 -4.159 17.430 -29.424 367 HH21 ARG 53 HH21 ARG 53 -6.369 19.614 -27.726 368 HH22 ARG 53 HH22 ARG 53 -4.719 19.217 -27.938 369 H GLY 54 HN GLY 54 -13.781 16.376 -32.316 370 HA2 GLY 54 HA2 GLY 54 -15.015 15.493 -34.094 371 HA3 GLY 54 HA1 GLY 54 -13.498 14.976 -34.846 372 H HIS 55 HN HIS 55 -13.607 14.088 -31.594 373 HA HIS 55 HA HIS 55 -14.625 11.431 -32.349 374 HB2 HIS 55 HB2 HIS 55 -12.397 12.109 -30.432 375 HB3 HIS 55 HB1 HIS 55 -13.050 10.492 -30.686 376 HD1 HIS 55 HD1 HIS 55 -11.804 9.124 -32.446 377 HD2 HIS 55 HD2 HIS 55 -11.098 13.209 -32.769 378 HE1 HIS 55 HE1 HIS 55 -10.037 9.396 -34.216 379 H GLU 56 HN GLU 56 -16.142 10.576 -31.056 380 HA GLU 56 HA GLU 56 -16.858 12.041 -28.638 381 HB2 GLU 56 HB2 GLU 56 -18.337 9.975 -30.257 382 HB3 GLU 56 HB1 GLU 56 -18.884 10.555 -28.683 383 HG2 GLU 56 HG2 GLU 56 -19.063 12.811 -29.608 384 HG3 GLU 56 HG1 GLU 56 -18.543 12.195 -31.179 385 H PHE 57 HN PHE 57 -15.974 11.276 -26.888 386 HA PHE 57 HA PHE 57 -15.134 8.486 -26.756 387 HB2 PHE 57 HB2 PHE 57 -14.403 10.816 -24.984 388 HB3 PHE 57 HB1 PHE 57 -13.708 9.193 -24.944 389 HD1 PHE 57 HD1 PHE 57 -12.354 8.433 -26.930 390 HD2 PHE 57 HD2 PHE 57 -13.578 12.463 -26.356 391 HE1 PHE 57 HE1 PHE 57 -10.623 9.181 -28.513 392 HE2 PHE 57 HE2 PHE 57 -11.869 13.217 -27.923 393 HZ PHE 57 HZ PHE 57 -10.386 11.585 -29.013 394 H GLU 58 HN GLU 58 -16.627 7.260 -25.769 395 HA GLU 58 HA GLU 58 -18.359 8.457 -23.772 396 HB2 GLU 58 HB2 GLU 58 -19.037 6.684 -25.486 397 HB3 GLU 58 HB1 GLU 58 -18.083 5.546 -24.525 398 HG2 GLU 58 HG2 GLU 58 -20.356 5.271 -23.887 399 HG3 GLU 58 HG1 GLU 58 -19.559 6.146 -22.584 400 H VAL 59 HN VAL 59 -17.412 8.750 -21.925 401 HA VAL 59 HA VAL 59 -15.095 7.107 -21.206 402 HB VAL 59 HB VAL 59 -14.390 8.938 -19.767 403 HG11 VAL 59 HG11 VAL 59 -13.996 10.735 -21.388 404 HG12 VAL 59 HG12 VAL 59 -15.157 9.979 -22.481 405 HG13 VAL 59 HG13 VAL 59 -13.667 9.135 -22.048 406 HG21 VAL 59 HG21 VAL 59 -15.588 11.088 -19.642 407 HG22 VAL 59 HG22 VAL 59 -16.545 9.760 -18.985 408 HG23 VAL 59 HG23 VAL 59 -16.905 10.394 -20.590 409 H GLU 60 HN GLU 60 -14.937 6.393 -19.094 410 HA GLU 60 HA GLU 60 -17.402 6.479 -17.536 411 HB2 GLU 60 HB2 GLU 60 -17.004 4.236 -18.347 412 HB3 GLU 60 HB1 GLU 60 -15.330 4.285 -17.784 413 HG2 GLU 60 HG2 GLU 60 -16.068 4.288 -15.501 414 HG3 GLU 60 HG1 GLU 60 -17.751 4.394 -16.006 415 H ALA 61 HN ALA 61 -17.099 7.984 -16.009 416 HA ALA 61 HA ALA 61 -14.423 8.252 -14.868 417 HB1 ALA 61 HB1 ALA 61 -16.902 9.942 -14.407 418 HB2 ALA 61 HB2 ALA 61 -15.578 10.349 -15.495 419 HB3 ALA 61 HB3 ALA 61 -15.298 10.276 -13.755 420 H LYS 62 HN LYS 62 -14.453 6.278 -13.872 421 HA LYS 62 HA LYS 62 -16.615 5.638 -12.108 422 HB2 LYS 62 HB2 LYS 62 -15.527 3.453 -11.886 423 HB3 LYS 62 HB1 LYS 62 -15.900 3.904 -13.536 424 HG2 LYS 62 HG2 LYS 62 -13.414 4.735 -13.540 425 HG3 LYS 62 HG1 LYS 62 -13.258 3.596 -12.189 426 HD2 LYS 62 HD2 LYS 62 -14.215 2.972 -14.993 427 HD3 LYS 62 HD1 LYS 62 -12.682 2.489 -14.281 428 HE2 LYS 62 HE2 LYS 62 -13.786 1.009 -12.751 429 HE3 LYS 62 HE1 LYS 62 -15.369 1.640 -13.207 430 HZ1 LYS 62 HZ1 LYS 62 -13.541 0.107 -14.986 431 HZ2 LYS 62 HZ2 LYS 62 -15.012 0.789 -15.431 432 HZ3 LYS 62 HZ3 LYS 62 -14.989 -0.459 -14.320 433 H ASP 63 HN ASP 63 -13.503 7.067 -11.579 434 HA ASP 63 HA ASP 63 -13.962 6.638 -8.744 435 HB2 ASP 63 HB2 ASP 63 -12.281 4.975 -9.472 436 HB3 ASP 63 HB1 ASP 63 -11.278 6.282 -10.094 437 H GLN 64 HN GLN 64 -12.940 8.225 -7.417 438 HA GLN 64 HA GLN 64 -13.228 10.861 -8.333 439 HB2 GLN 64 HB2 GLN 64 -12.407 11.512 -6.123 440 HB3 GLN 64 HB1 GLN 64 -13.566 10.187 -6.037 441 HG2 GLN 64 HG2 GLN 64 -11.778 8.599 -5.709 442 HG3 GLN 64 HG1 GLN 64 -10.585 9.884 -5.868 443 HE21 GLN 64 HE21 GLN 64 -13.616 10.304 -4.146 444 HE22 GLN 64 HE22 GLN 64 -12.902 10.404 -2.581 445 H ASN 65 HN ASN 65 -10.606 8.748 -8.590 446 HA ASN 65 HA ASN 65 -8.429 10.602 -8.656 447 HB2 ASN 65 HB2 ASN 65 -7.997 8.249 -8.298 448 HB3 ASN 65 HB1 ASN 65 -8.822 7.822 -9.798 449 HD21 ASN 65 HD21 ASN 65 -5.881 8.978 -8.359 450 HD22 ASN 65 HD22 ASN 65 -4.916 8.843 -9.784 451 H CYS 66 HN CYS 66 -11.059 10.063 -10.683 452 HA CYS 66 HA CYS 66 -11.660 10.523 -12.753 453 HB2 CYS 66 HB2 CYS 66 -9.319 12.408 -12.555 454 HB3 CYS 66 HB1 CYS 66 -10.217 12.230 -14.073 455 H LYS 67 HN LYS 67 -10.089 8.342 -12.064 456 HA LYS 67 HA LYS 67 -8.328 7.604 -14.007 457 HB2 LYS 67 HB2 LYS 67 -9.006 6.527 -11.728 458 HB3 LYS 67 HB1 LYS 67 -10.285 5.785 -12.686 459 HG2 LYS 67 HG2 LYS 67 -8.405 4.274 -12.273 460 HG3 LYS 67 HG1 LYS 67 -8.678 4.584 -13.990 461 HD2 LYS 67 HD2 LYS 67 -6.939 6.443 -12.646 462 HD3 LYS 67 HD1 LYS 67 -6.249 4.796 -12.778 463 HE2 LYS 67 HE2 LYS 67 -6.580 4.855 -15.159 464 HE3 LYS 67 HE1 LYS 67 -7.463 6.375 -15.015 465 HZ1 LYS 67 HZ1 LYS 67 -5.192 6.700 -15.823 466 HZ2 LYS 67 HZ2 LYS 67 -4.561 5.946 -14.455 467 HZ3 LYS 67 HZ3 LYS 67 -5.353 7.422 -14.304 468 H VAL 68 HN VAL 68 -9.150 8.241 -15.961 469 HA VAL 68 HA VAL 68 -11.773 7.398 -16.717 470 HB VAL 68 HB VAL 68 -11.355 9.689 -17.177 471 HG11 VAL 68 HG11 VAL 68 -8.938 9.717 -17.272 472 HG12 VAL 68 HG12 VAL 68 -9.609 10.488 -18.708 473 HG13 VAL 68 HG13 VAL 68 -8.967 8.848 -18.806 474 HG21 VAL 68 HG21 VAL 68 -11.291 8.121 -19.749 475 HG22 VAL 68 HG22 VAL 68 -11.792 9.806 -19.605 476 HG23 VAL 68 HG23 VAL 68 -12.717 8.528 -18.801 477 H ILE 69 HN ILE 69 -12.045 5.554 -17.426 478 HA ILE 69 HA ILE 69 -10.411 4.590 -19.650 479 HB ILE 69 HB ILE 69 -11.994 2.925 -17.627 480 HG12 ILE 69 HG12 ILE 69 -9.659 1.800 -17.380 481 HG13 ILE 69 HG11 ILE 69 -9.046 3.292 -18.045 482 HG21 ILE 69 HG21 ILE 69 -10.425 2.018 -20.037 483 HG22 ILE 69 HG22 ILE 69 -12.176 1.978 -19.852 484 HG23 ILE 69 HG23 ILE 69 -11.156 0.955 -18.837 485 HD11 ILE 69 HD11 ILE 69 -10.024 4.549 -16.196 486 HD12 ILE 69 HD12 ILE 69 -8.911 3.299 -15.631 487 HD13 ILE 69 HD13 ILE 69 -10.652 3.048 -15.510 488 H LEU 70 HN LEU 70 -11.661 4.077 -21.432 489 HA LEU 70 HA LEU 70 -14.237 5.350 -21.380 490 HB2 LEU 70 HB2 LEU 70 -13.096 3.760 -23.615 491 HB3 LEU 70 HB1 LEU 70 -14.345 4.965 -23.713 492 HG LEU 70 HG LEU 70 -11.524 5.410 -23.028 493 HD11 LEU 70 HD11 LEU 70 -11.363 6.581 -25.245 494 HD12 LEU 70 HD12 LEU 70 -13.026 6.096 -25.566 495 HD13 LEU 70 HD13 LEU 70 -11.765 4.872 -25.408 496 HD21 LEU 70 HD21 LEU 70 -13.718 7.407 -23.440 497 HD22 LEU 70 HD22 LEU 70 -12.010 7.835 -23.308 498 HD23 LEU 70 HD23 LEU 70 -12.833 7.068 -21.950 499 H THR 71 HN THR 71 -15.926 4.219 -22.545 500 HA THR 71 HA THR 71 -16.838 2.083 -20.878 501 HB THR 71 HB THR 71 -18.743 2.002 -22.578 502 HG1 THR 71 HG1 THR 71 -18.673 3.559 -24.179 503 HG21 THR 71 HG21 THR 71 -18.042 4.637 -21.251 504 HG22 THR 71 HG22 THR 71 -18.827 3.276 -20.457 505 HG23 THR 71 HG23 THR 71 -19.655 4.132 -21.756 506 H ASN 72 HN ASN 72 -15.321 2.209 -23.918 507 HA ASN 72 HA ASN 72 -15.906 -0.532 -24.617 508 HB2 ASN 72 HB2 ASN 72 -13.997 1.424 -25.923 509 HB3 ASN 72 HB1 ASN 72 -14.424 -0.170 -26.559 510 HD21 ASN 72 HD21 ASN 72 -15.328 3.133 -26.284 511 HD22 ASN 72 HD22 ASN 72 -16.799 3.038 -27.148 512 H GLY 73 HN GLY 73 -13.906 0.784 -22.364 513 HA2 GLY 73 HA2 GLY 73 -12.408 -0.313 -21.028 514 HA3 GLY 73 HA1 GLY 73 -12.388 -1.659 -22.182 515 H LYS 74 HN LYS 74 -11.998 1.542 -23.277 516 HA LYS 74 HA LYS 74 -9.297 0.854 -24.025 517 HB2 LYS 74 HB2 LYS 74 -11.205 2.830 -25.269 518 HB3 LYS 74 HB1 LYS 74 -9.597 2.446 -25.863 519 HG2 LYS 74 HG2 LYS 74 -11.912 0.512 -25.694 520 HG3 LYS 74 HG1 LYS 74 -11.363 1.321 -27.159 521 HD2 LYS 74 HD2 LYS 74 -9.264 0.151 -27.096 522 HD3 LYS 74 HD1 LYS 74 -9.611 -0.498 -25.498 523 HE2 LYS 74 HE2 LYS 74 -9.943 -2.180 -27.250 524 HE3 LYS 74 HE1 LYS 74 -11.433 -1.822 -26.389 525 HZ1 LYS 74 HZ1 LYS 74 -12.144 -0.464 -28.247 526 HZ2 LYS 74 HZ2 LYS 74 -11.747 -2.012 -28.774 527 HZ3 LYS 74 HZ3 LYS 74 -10.684 -0.740 -29.051 528 H GLN 75 HN GLN 75 -7.748 2.486 -24.013 529 HA GLN 75 HA GLN 75 -7.769 4.019 -21.621 530 HB2 GLN 75 HB2 GLN 75 -5.770 3.982 -23.890 531 HB3 GLN 75 HB1 GLN 75 -5.515 4.710 -22.316 532 HG2 GLN 75 HG2 GLN 75 -5.658 2.517 -21.273 533 HG3 GLN 75 HG1 GLN 75 -5.952 1.780 -22.848 534 HE21 GLN 75 HE21 GLN 75 -3.614 3.284 -20.793 535 HE22 GLN 75 HE22 GLN 75 -2.217 2.794 -21.675 536 H ALA 76 HN ALA 76 -7.529 6.211 -21.521 537 HA ALA 76 HA ALA 76 -9.023 7.672 -23.499 538 HB1 ALA 76 HB1 ALA 76 -9.561 7.960 -21.140 539 HB2 ALA 76 HB2 ALA 76 -8.988 9.475 -21.842 540 HB3 ALA 76 HB3 ALA 76 -7.917 8.512 -20.827 541 HA PRO 77 HA PRO 77 -5.596 9.569 -25.675 542 HB2 PRO 77 HB2 PRO 77 -7.150 12.055 -25.229 543 HB3 PRO 77 HB1 PRO 77 -6.540 11.369 -26.750 544 HG2 PRO 77 HG2 PRO 77 -9.120 11.264 -26.070 545 HG3 PRO 77 HG1 PRO 77 -8.319 10.007 -27.038 546 HD2 PRO 77 HD2 PRO 77 -9.276 9.846 -24.242 547 HD3 PRO 77 HD1 PRO 77 -8.924 8.575 -25.434 548 H ASP 78 HN ASP 78 -3.788 10.780 -25.190 549 HA ASP 78 HA ASP 78 -3.301 11.408 -22.468 550 HB2 ASP 78 HB2 ASP 78 -1.647 11.964 -24.939 551 HB3 ASP 78 HB1 ASP 78 -1.099 12.283 -23.300 552 H TRP 79 HN TRP 79 -4.266 13.172 -25.268 553 HA TRP 79 HA TRP 79 -3.750 15.745 -24.118 554 HB2 TRP 79 HB2 TRP 79 -4.879 16.621 -26.183 555 HB3 TRP 79 HB1 TRP 79 -3.518 15.547 -26.495 556 HD1 TRP 79 HD1 TRP 79 -3.957 13.505 -27.893 557 HE1 TRP 79 HE1 TRP 79 -6.006 12.546 -29.166 558 HE3 TRP 79 HE3 TRP 79 -7.559 16.494 -25.924 559 HZ2 TRP 79 HZ2 TRP 79 -8.771 13.041 -29.300 560 HZ3 TRP 79 HZ3 TRP 79 -9.876 16.207 -26.668 561 HH2 TRP 79 HH2 TRP 79 -10.465 14.523 -28.324 562 H LEU 80 HN LEU 80 -6.102 13.503 -23.634 563 HA LEU 80 HA LEU 80 -8.227 15.422 -23.191 564 HB2 LEU 80 HB2 LEU 80 -8.770 13.186 -24.097 565 HB3 LEU 80 HB1 LEU 80 -8.073 12.446 -22.656 566 HG LEU 80 HG LEU 80 -9.849 13.497 -21.305 567 HD11 LEU 80 HD11 LEU 80 -11.812 14.447 -22.430 568 HD12 LEU 80 HD12 LEU 80 -10.963 14.350 -23.973 569 HD13 LEU 80 HD13 LEU 80 -10.361 15.410 -22.701 570 HD21 LEU 80 HD21 LEU 80 -10.123 11.217 -22.081 571 HD22 LEU 80 HD22 LEU 80 -10.824 11.792 -23.595 572 HD23 LEU 80 HD23 LEU 80 -11.678 12.047 -22.075 573 H ALA 81 HN ALA 81 -8.151 16.546 -21.363 574 HA ALA 81 HA ALA 81 -6.569 15.446 -19.171 575 HB1 ALA 81 HB1 ALA 81 -5.901 17.655 -19.981 576 HB2 ALA 81 HB2 ALA 81 -6.479 17.730 -18.314 577 HB3 ALA 81 HB3 ALA 81 -7.517 18.263 -19.638 578 H ALA 82 HN ALA 82 -7.434 15.071 -17.251 579 HA ALA 82 HA ALA 82 -10.261 15.729 -16.860 580 HB1 ALA 82 HB1 ALA 82 -10.070 13.366 -17.492 581 HB2 ALA 82 HB2 ALA 82 -10.587 13.540 -15.818 582 HB3 ALA 82 HB3 ALA 82 -8.913 13.109 -16.185 583 H GLU 83 HN GLU 83 -10.609 16.696 -14.962 584 HA GLU 83 HA GLU 83 -8.628 16.337 -12.834 585 HB2 GLU 83 HB2 GLU 83 -9.890 18.989 -13.557 586 HB3 GLU 83 HB1 GLU 83 -8.769 18.699 -12.235 587 HG2 GLU 83 HG2 GLU 83 -7.078 18.023 -13.926 588 HG3 GLU 83 HG1 GLU 83 -8.204 18.551 -15.176 589 HA PRO 84 HA PRO 84 -12.296 15.365 -10.531 590 HB2 PRO 84 HB2 PRO 84 -11.204 15.585 -8.038 591 HB3 PRO 84 HB1 PRO 84 -10.860 14.205 -9.106 592 HG2 PRO 84 HG2 PRO 84 -9.273 16.680 -8.667 593 HG3 PRO 84 HG1 PRO 84 -8.743 14.976 -8.659 594 HD2 PRO 84 HD2 PRO 84 -8.334 16.405 -10.819 595 HD3 PRO 84 HD1 PRO 84 -8.980 14.733 -10.884 596 H TYR 85 HN TYR 85 -13.936 16.617 -10.000 597 HA TYR 85 HA TYR 85 -13.453 19.398 -9.294 598 HB2 TYR 85 HB2 TYR 85 -14.865 18.762 -11.301 599 HB3 TYR 85 HB1 TYR 85 -16.004 18.051 -10.158 600 HD1 TYR 85 HD1 TYR 85 -17.278 19.621 -8.596 601 HD2 TYR 85 HD2 TYR 85 -14.843 21.042 -11.776 602 HE1 TYR 85 HE1 TYR 85 -18.455 21.793 -8.535 603 HE2 TYR 85 HE2 TYR 85 -15.989 23.200 -11.708 604 HH TYR 85 HH TYR 85 -17.947 24.238 -9.253 Start of MODEL 7 1 H SER 7 HT1 SER 7 -4.523 30.738 -17.083 2 HA SER 7 HA SER 7 -3.395 32.804 -16.956 3 HB2 SER 7 HB2 SER 7 -4.758 33.083 -14.262 4 HB3 SER 7 HB1 SER 7 -3.670 34.256 -15.028 5 HG SER 7 HG SER 7 -5.340 35.027 -15.999 6 H GLY 8 HN GLY 8 -1.582 33.265 -15.128 7 HA2 GLY 8 HA2 GLY 8 -0.192 32.523 -13.457 8 HA3 GLY 8 HA1 GLY 8 -1.135 31.050 -13.339 9 H ARG 9 HN ARG 9 -0.978 29.696 -15.348 10 HA ARG 9 HA ARG 9 0.191 28.179 -16.455 11 HB2 ARG 9 HB2 ARG 9 1.977 30.473 -17.120 12 HB3 ARG 9 HB1 ARG 9 2.128 28.882 -17.858 13 HG2 ARG 9 HG2 ARG 9 -0.249 29.147 -18.635 14 HG3 ARG 9 HG1 ARG 9 -0.157 30.824 -18.095 15 HD2 ARG 9 HD2 ARG 9 0.368 30.802 -20.429 16 HD3 ARG 9 HD1 ARG 9 1.838 31.068 -19.468 17 HE ARG 9 HE ARG 9 1.682 28.352 -19.889 18 HH11 ARG 9 HH11 ARG 9 2.139 31.222 -21.916 19 HH12 ARG 9 HH12 ARG 9 2.983 30.360 -23.134 20 HH21 ARG 9 HH21 ARG 9 2.836 27.233 -21.529 21 HH22 ARG 9 HH22 ARG 9 3.408 28.071 -22.914 22 H GLU 10 HN GLU 10 0.607 26.997 -14.734 23 HA GLU 10 HA GLU 10 3.391 26.660 -14.049 24 HB2 GLU 10 HB2 GLU 10 1.847 28.199 -12.368 25 HB3 GLU 10 HB1 GLU 10 1.530 26.598 -11.728 26 HG2 GLU 10 HG2 GLU 10 4.290 27.760 -12.083 27 HG3 GLU 10 HG1 GLU 10 3.366 27.843 -10.594 28 H ASN 11 HN ASN 11 3.334 24.531 -12.632 29 HA ASN 11 HA ASN 11 1.852 22.647 -14.202 30 HB2 ASN 11 HB2 ASN 11 3.737 22.180 -11.870 31 HB3 ASN 11 HB1 ASN 11 3.067 20.917 -12.897 32 HD21 ASN 11 HD21 ASN 11 5.292 23.599 -12.716 33 HD22 ASN 11 HD22 ASN 11 6.176 23.203 -14.142 34 H LEU 12 HN LEU 12 2.132 22.638 -10.625 35 HA LEU 12 HA LEU 12 -0.737 22.042 -10.590 36 HB2 LEU 12 HB2 LEU 12 1.420 21.125 -8.672 37 HB3 LEU 12 HB1 LEU 12 -0.285 20.982 -8.334 38 HG LEU 12 HG LEU 12 -0.434 19.496 -10.399 39 HD11 LEU 12 HD11 LEU 12 1.603 18.377 -11.123 40 HD12 LEU 12 HD12 LEU 12 2.560 19.464 -10.113 41 HD13 LEU 12 HD13 LEU 12 1.642 20.105 -11.476 42 HD21 LEU 12 HD21 LEU 12 0.377 17.529 -9.196 43 HD22 LEU 12 HD22 LEU 12 -0.523 18.620 -8.141 44 HD23 LEU 12 HD23 LEU 12 1.238 18.580 -8.070 45 H TYR 13 HN TYR 13 -2.025 23.151 -9.126 46 HA TYR 13 HA TYR 13 -0.708 25.490 -8.049 47 HB2 TYR 13 HB2 TYR 13 -3.577 25.030 -8.843 48 HB3 TYR 13 HB1 TYR 13 -3.022 26.462 -7.979 49 HD1 TYR 13 HD1 TYR 13 -2.930 24.657 -11.183 50 HD2 TYR 13 HD2 TYR 13 -1.659 28.128 -9.075 51 HE1 TYR 13 HE1 TYR 13 -2.229 25.685 -13.303 52 HE2 TYR 13 HE2 TYR 13 -0.961 29.160 -11.186 53 HH TYR 13 HH TYR 13 -0.292 28.473 -13.368 54 H PHE 14 HN PHE 14 0.074 24.585 -6.248 55 HA PHE 14 HA PHE 14 -1.544 23.165 -4.388 56 HB2 PHE 14 HB2 PHE 14 1.169 24.466 -4.049 57 HB3 PHE 14 HB1 PHE 14 0.410 23.412 -2.861 58 HD1 PHE 14 HD1 PHE 14 -0.113 21.025 -3.559 59 HD2 PHE 14 HD2 PHE 14 2.455 23.579 -5.788 60 HE1 PHE 14 HE1 PHE 14 0.880 19.060 -4.656 61 HE2 PHE 14 HE2 PHE 14 3.450 21.616 -6.891 62 HZ PHE 14 HZ PHE 14 2.664 19.356 -6.323 63 H GLN 15 HN GLN 15 -2.779 23.918 -2.748 64 HA GLN 15 HA GLN 15 -4.130 25.176 -1.802 65 HB2 GLN 15 HB2 GLN 15 -1.781 27.048 -1.385 66 HB3 GLN 15 HB1 GLN 15 -3.385 27.057 -0.641 67 HG2 GLN 15 HG2 GLN 15 -1.941 26.109 0.964 68 HG3 GLN 15 HG1 GLN 15 -2.926 24.813 0.304 69 HE21 GLN 15 HE21 GLN 15 -1.510 23.206 0.861 70 HE22 GLN 15 HE22 GLN 15 0.035 23.019 0.131 71 H GLY 16 HN GLY 16 -3.665 25.588 -4.619 72 HA2 GLY 16 HA2 GLY 16 -4.630 28.312 -5.057 73 HA3 GLY 16 HA1 GLY 16 -4.313 27.113 -6.314 74 H HIS 17 HN HIS 17 -5.727 25.034 -4.950 75 HA HIS 17 HA HIS 17 -8.417 25.839 -4.538 76 HB2 HIS 17 HB2 HIS 17 -8.086 25.659 -7.117 77 HB3 HIS 17 HB1 HIS 17 -7.853 23.939 -6.847 78 HD1 HIS 17 HD1 HIS 17 -10.515 26.579 -7.015 79 HD2 HIS 17 HD2 HIS 17 -10.194 22.526 -6.114 80 HE1 HIS 17 HE1 HIS 17 -12.855 25.673 -7.008 81 H MET 18 HN MET 18 -9.625 23.788 -3.937 82 HA MET 18 HA MET 18 -7.974 22.320 -2.135 83 HB2 MET 18 HB2 MET 18 -10.899 22.099 -2.787 84 HB3 MET 18 HB1 MET 18 -10.101 21.062 -1.624 85 HG2 MET 18 HG2 MET 18 -9.505 23.037 -0.299 86 HG3 MET 18 HG1 MET 18 -10.356 24.054 -1.463 87 HE1 MET 18 HE1 MET 18 -11.773 25.055 0.567 88 HE2 MET 18 HE2 MET 18 -10.924 23.986 1.683 89 HE3 MET 18 HE3 MET 18 -12.687 24.059 1.700 90 H ALA 19 HN ALA 19 -7.997 20.028 -1.924 91 HA ALA 19 HA ALA 19 -8.125 18.580 -4.424 92 HB1 ALA 19 HB1 ALA 19 -6.383 18.136 -1.992 93 HB2 ALA 19 HB2 ALA 19 -5.848 18.744 -3.557 94 HB3 ALA 19 HB3 ALA 19 -6.417 17.080 -3.404 95 H ALA 20 HN ALA 20 -10.275 19.147 -2.755 96 HA ALA 20 HA ALA 20 -10.895 17.164 -0.827 97 HB1 ALA 20 HB1 ALA 20 -11.843 19.418 -0.768 98 HB2 ALA 20 HB2 ALA 20 -13.130 18.218 -0.879 99 HB3 ALA 20 HB3 ALA 20 -12.650 19.128 -2.307 100 HA PRO 21 HA PRO 21 -12.667 13.643 -2.988 101 HB2 PRO 21 HB2 PRO 21 -15.242 14.544 -1.769 102 HB3 PRO 21 HB1 PRO 21 -14.519 12.915 -1.795 103 HG2 PRO 21 HG2 PRO 21 -14.424 14.430 0.382 104 HG3 PRO 21 HG1 PRO 21 -13.104 13.338 -0.072 105 HD2 PRO 21 HD2 PRO 21 -13.146 16.282 -0.114 106 HD3 PRO 21 HD1 PRO 21 -11.778 15.160 -0.101 107 H ALA 22 HN ALA 22 -13.030 13.729 -5.084 108 HA ALA 22 HA ALA 22 -14.303 15.908 -6.372 109 HB1 ALA 22 HB1 ALA 22 -13.525 13.240 -7.507 110 HB2 ALA 22 HB2 ALA 22 -12.471 14.645 -7.387 111 HB3 ALA 22 HB3 ALA 22 -13.898 14.698 -8.425 112 H ARG 23 HN ARG 23 -16.288 16.157 -7.004 113 HA ARG 23 HA ARG 23 -18.193 13.962 -6.588 114 HB2 ARG 23 HB2 ARG 23 -18.698 16.922 -6.956 115 HB3 ARG 23 HB1 ARG 23 -19.923 15.705 -6.661 116 HG2 ARG 23 HG2 ARG 23 -18.993 15.257 -4.455 117 HG3 ARG 23 HG1 ARG 23 -17.726 16.451 -4.744 118 HD2 ARG 23 HD2 ARG 23 -19.535 17.384 -3.399 119 HD3 ARG 23 HD1 ARG 23 -19.403 18.203 -4.953 120 HE ARG 23 HE ARG 23 -21.382 16.093 -4.421 121 HH11 ARG 23 HH11 ARG 23 -20.596 19.309 -5.700 122 HH12 ARG 23 HH12 ARG 23 -22.159 19.649 -6.238 123 HH21 ARG 23 HH21 ARG 23 -23.599 16.586 -5.177 124 HH22 ARG 23 HH22 ARG 23 -23.881 18.078 -5.935 125 H PHE 24 HN PHE 24 -17.010 16.396 -8.795 126 HA PHE 24 HA PHE 24 -18.228 14.902 -10.984 127 HB2 PHE 24 HB2 PHE 24 -17.564 17.871 -10.943 128 HB3 PHE 24 HB1 PHE 24 -18.241 16.959 -12.286 129 HD1 PHE 24 HD1 PHE 24 -20.569 16.321 -12.317 130 HD2 PHE 24 HD2 PHE 24 -18.946 18.527 -9.059 131 HE1 PHE 24 HE1 PHE 24 -22.842 16.908 -11.575 132 HE2 PHE 24 HE2 PHE 24 -21.213 19.108 -8.316 133 HZ PHE 24 HZ PHE 24 -23.161 18.297 -9.575 134 H CYS 25 HN CYS 25 -16.910 15.445 -12.992 135 HA CYS 25 HA CYS 25 -14.095 15.797 -12.422 136 HB2 CYS 25 HB2 CYS 25 -14.832 13.304 -12.692 137 HB3 CYS 25 HB1 CYS 25 -15.151 13.793 -14.368 138 H VAL 26 HN VAL 26 -13.169 16.857 -14.079 139 HA VAL 26 HA VAL 26 -14.992 17.975 -16.129 140 HB VAL 26 HB VAL 26 -12.527 19.326 -15.039 141 HG11 VAL 26 HG11 VAL 26 -13.570 21.343 -15.912 142 HG12 VAL 26 HG12 VAL 26 -14.944 20.390 -16.467 143 HG13 VAL 26 HG13 VAL 26 -13.345 20.123 -17.165 144 HG21 VAL 26 HG21 VAL 26 -13.941 20.669 -13.562 145 HG22 VAL 26 HG22 VAL 26 -14.030 18.950 -13.165 146 HG23 VAL 26 HG23 VAL 26 -15.347 19.717 -14.048 147 H TYR 27 HN TYR 27 -14.260 18.049 -18.137 148 HA TYR 27 HA TYR 27 -11.696 16.727 -18.659 149 HB2 TYR 27 HB2 TYR 27 -14.224 16.747 -20.304 150 HB3 TYR 27 HB1 TYR 27 -12.668 16.132 -20.868 151 HD1 TYR 27 HD1 TYR 27 -15.401 15.599 -18.438 152 HD2 TYR 27 HD2 TYR 27 -11.848 14.020 -20.144 153 HE1 TYR 27 HE1 TYR 27 -15.857 13.435 -17.376 154 HE2 TYR 27 HE2 TYR 27 -12.305 11.859 -19.091 155 HH TYR 27 HH TYR 27 -15.275 11.066 -17.710 156 H TYR 28 HN TYR 28 -10.286 17.673 -19.850 157 HA TYR 28 HA TYR 28 -10.988 20.225 -21.119 158 HB2 TYR 28 HB2 TYR 28 -8.531 19.572 -19.519 159 HB3 TYR 28 HB1 TYR 28 -8.722 21.038 -20.490 160 HD1 TYR 28 HD1 TYR 28 -10.260 22.777 -19.715 161 HD2 TYR 28 HD2 TYR 28 -9.499 19.317 -17.375 162 HE1 TYR 28 HE1 TYR 28 -11.184 23.913 -17.747 163 HE2 TYR 28 HE2 TYR 28 -10.420 20.446 -15.398 164 HH TYR 28 HH TYR 28 -10.787 22.730 -14.616 165 H ASP 29 HN ASP 29 -9.681 20.794 -22.833 166 HA ASP 29 HA ASP 29 -8.629 18.603 -24.454 167 HB2 ASP 29 HB2 ASP 29 -10.144 20.332 -25.454 168 HB3 ASP 29 HB1 ASP 29 -8.917 21.546 -25.059 169 H GLY 30 HN GLY 30 -6.662 18.108 -23.759 170 HA2 GLY 30 HA2 GLY 30 -4.347 18.560 -24.121 171 HA3 GLY 30 HA1 GLY 30 -4.625 20.242 -23.658 172 H HIS 31 HN HIS 31 -2.819 18.293 -22.585 173 HA HIS 31 HA HIS 31 -3.951 17.713 -19.965 174 HB2 HIS 31 HB2 HIS 31 -1.968 16.355 -19.513 175 HB3 HIS 31 HB1 HIS 31 -2.661 15.927 -21.081 176 HD1 HIS 31 HD1 HIS 31 -0.845 15.567 -22.863 177 HD2 HIS 31 HD2 HIS 31 0.343 18.242 -19.891 178 HE1 HIS 31 HE1 HIS 31 1.481 16.259 -23.418 179 H LEU 32 HN LEU 32 -2.482 20.330 -21.327 180 HA LEU 32 HA LEU 32 -0.671 20.866 -19.169 181 HB2 LEU 32 HB2 LEU 32 -0.250 21.368 -21.639 182 HB3 LEU 32 HB1 LEU 32 -1.387 22.691 -21.448 183 HG LEU 32 HG LEU 32 0.055 23.581 -19.655 184 HD11 LEU 32 HD11 LEU 32 1.932 21.437 -20.646 185 HD12 LEU 32 HD12 LEU 32 1.257 21.575 -19.022 186 HD13 LEU 32 HD13 LEU 32 2.411 22.774 -19.606 187 HD21 LEU 32 HD21 LEU 32 1.308 23.277 -22.380 188 HD22 LEU 32 HD22 LEU 32 1.772 24.484 -21.183 189 HD23 LEU 32 HD23 LEU 32 0.158 24.521 -21.893 190 HA PRO 33 HA PRO 33 -3.966 22.202 -16.520 191 HB2 PRO 33 HB2 PRO 33 -1.761 23.973 -15.584 192 HB3 PRO 33 HB1 PRO 33 -2.888 22.972 -14.645 193 HG2 PRO 33 HG2 PRO 33 -0.432 22.129 -15.067 194 HG3 PRO 33 HG1 PRO 33 -1.843 21.047 -15.095 195 HD2 PRO 33 HD2 PRO 33 -0.172 21.930 -17.373 196 HD3 PRO 33 HD1 PRO 33 -1.167 20.472 -17.153 197 H ALA 34 HN ALA 34 -1.885 24.813 -17.541 198 HA ALA 34 HA ALA 34 -4.069 26.684 -17.183 199 HB1 ALA 34 HB1 ALA 34 -1.289 27.259 -18.145 200 HB2 ALA 34 HB2 ALA 34 -1.819 27.262 -16.464 201 HB3 ALA 34 HB3 ALA 34 -2.482 28.439 -17.600 202 H THR 35 HN THR 35 -2.480 25.264 -19.985 203 HA THR 35 HA THR 35 -3.689 27.256 -21.740 204 HB THR 35 HB THR 35 -1.846 24.984 -22.502 205 HG1 THR 35 HG1 THR 35 -1.347 27.562 -21.412 206 HG21 THR 35 HG21 THR 35 -1.195 26.513 -24.327 207 HG22 THR 35 HG22 THR 35 -2.321 27.728 -23.716 208 HG23 THR 35 HG23 THR 35 -2.931 26.209 -24.372 209 H ARG 36 HN ARG 36 -4.675 24.387 -20.468 210 HA ARG 36 HA ARG 36 -5.771 23.189 -22.821 211 HB2 ARG 36 HB2 ARG 36 -6.748 21.546 -21.290 212 HB3 ARG 36 HB1 ARG 36 -5.053 21.812 -21.000 213 HG2 ARG 36 HG2 ARG 36 -5.635 23.320 -19.122 214 HG3 ARG 36 HG1 ARG 36 -7.324 22.850 -19.342 215 HD2 ARG 36 HD2 ARG 36 -6.775 20.543 -18.934 216 HD3 ARG 36 HD1 ARG 36 -5.059 20.933 -18.855 217 HE ARG 36 HE ARG 36 -6.533 22.433 -16.975 218 HH11 ARG 36 HH11 ARG 36 -5.202 19.199 -17.543 219 HH12 ARG 36 HH12 ARG 36 -5.071 18.790 -15.901 220 HH21 ARG 36 HH21 ARG 36 -6.334 21.910 -14.737 221 HH22 ARG 36 HH22 ARG 36 -5.828 20.380 -14.220 222 H VAL 37 HN VAL 37 -7.919 22.916 -23.354 223 HA VAL 37 HA VAL 37 -9.616 25.259 -22.769 224 HB VAL 37 HB VAL 37 -10.077 23.085 -24.826 225 HG11 VAL 37 HG11 VAL 37 -12.035 24.367 -24.389 226 HG12 VAL 37 HG12 VAL 37 -11.418 24.772 -25.994 227 HG13 VAL 37 HG13 VAL 37 -11.157 25.872 -24.641 228 HG21 VAL 37 HG21 VAL 37 -7.888 24.062 -25.256 229 HG22 VAL 37 HG22 VAL 37 -8.595 25.679 -25.242 230 HG23 VAL 37 HG23 VAL 37 -9.042 24.531 -26.502 231 H LEU 38 HN LEU 38 -11.666 25.038 -21.931 232 HA LEU 38 HA LEU 38 -12.210 22.714 -20.339 233 HB2 LEU 38 HB2 LEU 38 -12.793 24.992 -19.599 234 HB3 LEU 38 HB1 LEU 38 -13.822 25.213 -20.979 235 HG LEU 38 HG LEU 38 -14.988 24.936 -18.774 236 HD11 LEU 38 HD11 LEU 38 -15.722 22.900 -20.858 237 HD12 LEU 38 HD12 LEU 38 -16.246 24.584 -20.801 238 HD13 LEU 38 HD13 LEU 38 -16.764 23.457 -19.548 239 HD21 LEU 38 HD21 LEU 38 -14.056 22.094 -19.023 240 HD22 LEU 38 HD22 LEU 38 -15.236 22.694 -17.858 241 HD23 LEU 38 HD23 LEU 38 -13.568 23.257 -17.792 242 H LEU 39 HN LEU 39 -13.413 20.900 -20.939 243 HA LEU 39 HA LEU 39 -14.908 21.136 -23.449 244 HB2 LEU 39 HB2 LEU 39 -13.626 18.697 -22.243 245 HB3 LEU 39 HB1 LEU 39 -14.665 18.674 -23.649 246 HG LEU 39 HG LEU 39 -11.969 20.004 -23.434 247 HD11 LEU 39 HD11 LEU 39 -11.860 17.577 -23.580 248 HD12 LEU 39 HD12 LEU 39 -11.300 18.319 -25.077 249 HD13 LEU 39 HD13 LEU 39 -12.907 17.602 -24.999 250 HD21 LEU 39 HD21 LEU 39 -13.436 21.307 -24.880 251 HD22 LEU 39 HD22 LEU 39 -13.890 19.849 -25.760 252 HD23 LEU 39 HD23 LEU 39 -12.233 20.448 -25.838 253 H MET 40 HN MET 40 -15.064 19.166 -20.408 254 HA MET 40 HA MET 40 -17.946 19.531 -20.385 255 HB2 MET 40 HB2 MET 40 -16.801 17.157 -21.552 256 HB3 MET 40 HB1 MET 40 -17.806 16.781 -20.144 257 HG2 MET 40 HG2 MET 40 -19.632 18.056 -21.145 258 HG3 MET 40 HG1 MET 40 -18.613 18.381 -22.531 259 HE1 MET 40 HE1 MET 40 -20.757 15.822 -20.578 260 HE2 MET 40 HE2 MET 40 -19.158 15.101 -20.381 261 HE3 MET 40 HE3 MET 40 -20.374 14.291 -21.366 262 H TYR 41 HN TYR 41 -18.979 18.388 -18.769 263 HA TYR 41 HA TYR 41 -17.343 17.865 -16.370 264 HB2 TYR 41 HB2 TYR 41 -20.013 19.245 -16.640 265 HB3 TYR 41 HB1 TYR 41 -19.363 18.653 -15.110 266 HD1 TYR 41 HD1 TYR 41 -18.921 21.111 -17.836 267 HD2 TYR 41 HD2 TYR 41 -17.735 19.935 -13.930 268 HE1 TYR 41 HE1 TYR 41 -17.808 23.280 -17.530 269 HE2 TYR 41 HE2 TYR 41 -16.611 22.098 -13.615 270 HH TYR 41 HH TYR 41 -15.661 23.866 -14.973 271 H VAL 42 HN VAL 42 -17.812 15.953 -15.371 272 HA VAL 42 HA VAL 42 -20.301 14.481 -16.002 273 HB VAL 42 HB VAL 42 -17.545 13.194 -16.093 274 HG11 VAL 42 HG11 VAL 42 -18.714 11.220 -16.955 275 HG12 VAL 42 HG12 VAL 42 -20.254 12.056 -16.748 276 HG13 VAL 42 HG13 VAL 42 -19.262 11.673 -15.340 277 HG21 VAL 42 HG21 VAL 42 -19.362 13.813 -18.420 278 HG22 VAL 42 HG22 VAL 42 -17.867 12.881 -18.509 279 HG23 VAL 42 HG23 VAL 42 -17.818 14.589 -18.079 280 H ARG 43 HN ARG 43 -21.052 13.358 -14.207 281 HA ARG 43 HA ARG 43 -19.669 13.861 -11.785 282 HB2 ARG 43 HB2 ARG 43 -22.075 13.964 -11.814 283 HB3 ARG 43 HB1 ARG 43 -22.164 12.279 -12.324 284 HG2 ARG 43 HG2 ARG 43 -21.176 11.554 -10.255 285 HG3 ARG 43 HG1 ARG 43 -20.964 13.236 -9.763 286 HD2 ARG 43 HD2 ARG 43 -22.910 12.310 -8.672 287 HD3 ARG 43 HD1 ARG 43 -23.250 13.555 -9.901 288 HE ARG 43 HE ARG 43 -24.189 11.992 -11.296 289 HH11 ARG 43 HH11 ARG 43 -23.084 10.442 -8.325 290 HH12 ARG 43 HH12 ARG 43 -23.988 9.018 -8.546 291 HH21 ARG 43 HH21 ARG 43 -25.409 10.098 -11.624 292 HH22 ARG 43 HH22 ARG 43 -25.366 8.785 -10.542 293 H ILE 44 HN ILE 44 -18.868 12.458 -10.419 294 HA ILE 44 HA ILE 44 -17.291 10.327 -11.513 295 HB ILE 44 HB ILE 44 -17.794 11.101 -8.632 296 HG12 ILE 44 HG12 ILE 44 -16.672 12.729 -10.052 297 HG13 ILE 44 HG11 ILE 44 -15.631 12.203 -8.715 298 HG21 ILE 44 HG21 ILE 44 -15.832 9.733 -8.029 299 HG22 ILE 44 HG22 ILE 44 -15.743 9.153 -9.691 300 HG23 ILE 44 HG23 ILE 44 -17.144 8.754 -8.693 301 HD11 ILE 44 HD11 ILE 44 -15.486 11.438 -11.635 302 HD12 ILE 44 HD12 ILE 44 -14.500 10.708 -10.373 303 HD13 ILE 44 HD13 ILE 44 -14.340 12.429 -10.730 304 H GLY 45 HN GLY 45 -17.765 8.310 -11.785 305 HA2 GLY 45 HA2 GLY 45 -18.697 6.263 -10.988 306 HA3 GLY 45 HA1 GLY 45 -20.029 7.187 -10.306 307 H THR 46 HN THR 46 -20.025 8.839 -12.907 308 HA THR 46 HA THR 46 -21.605 6.837 -14.343 309 HB THR 46 HB THR 46 -22.881 8.832 -15.254 310 HG1 THR 46 HG1 THR 46 -21.086 10.198 -13.824 311 HG21 THR 46 HG21 THR 46 -23.052 8.229 -12.303 312 HG22 THR 46 HG22 THR 46 -23.771 7.262 -13.593 313 HG23 THR 46 HG23 THR 46 -24.348 8.897 -13.294 314 H THR 47 HN THR 47 -21.973 7.197 -16.535 315 HA THR 47 HA THR 47 -19.463 7.733 -17.914 316 HB THR 47 HB THR 47 -20.549 6.501 -19.772 317 HG1 THR 47 HG1 THR 47 -22.674 6.382 -19.519 318 HG21 THR 47 HG21 THR 47 -20.347 4.251 -18.753 319 HG22 THR 47 HG22 THR 47 -20.375 4.998 -17.157 320 HG23 THR 47 HG23 THR 47 -19.042 5.330 -18.264 321 H ALA 48 HN ALA 48 -19.557 8.741 -19.902 322 HA ALA 48 HA ALA 48 -21.880 10.316 -20.666 323 HB1 ALA 48 HB1 ALA 48 -19.398 11.761 -19.783 324 HB2 ALA 48 HB2 ALA 48 -20.908 11.681 -18.876 325 HB3 ALA 48 HB3 ALA 48 -20.864 12.484 -20.446 326 H THR 49 HN THR 49 -21.706 11.283 -22.659 327 HA THR 49 HA THR 49 -19.622 10.189 -24.378 328 HB THR 49 HB THR 49 -22.055 11.811 -25.136 329 HG1 THR 49 HG1 THR 49 -21.789 9.085 -24.456 330 HG21 THR 49 HG21 THR 49 -20.354 11.640 -26.876 331 HG22 THR 49 HG22 THR 49 -21.762 10.676 -27.318 332 HG23 THR 49 HG23 THR 49 -20.313 9.890 -26.687 333 H ILE 50 HN ILE 50 -17.841 11.450 -24.455 334 HA ILE 50 HA ILE 50 -18.023 14.401 -24.515 335 HB ILE 50 HB ILE 50 -15.557 12.709 -24.895 336 HG12 ILE 50 HG12 ILE 50 -16.620 11.973 -22.772 337 HG13 ILE 50 HG11 ILE 50 -15.056 12.747 -22.514 338 HG21 ILE 50 HG21 ILE 50 -15.915 15.501 -23.827 339 HG22 ILE 50 HG22 ILE 50 -15.326 15.049 -25.424 340 HG23 ILE 50 HG23 ILE 50 -14.371 14.666 -23.993 341 HD11 ILE 50 HD11 ILE 50 -16.224 14.784 -21.814 342 HD12 ILE 50 HD12 ILE 50 -16.673 13.394 -20.825 343 HD13 ILE 50 HD13 ILE 50 -17.769 13.977 -22.078 344 H THR 51 HN THR 51 -17.481 15.421 -26.419 345 HA THR 51 HA THR 51 -16.756 13.747 -28.701 346 HB THR 51 HB THR 51 -18.898 15.901 -28.810 347 HG1 THR 51 HG1 THR 51 -18.921 13.258 -28.201 348 HG21 THR 51 HG21 THR 51 -17.618 15.637 -30.919 349 HG22 THR 51 HG22 THR 51 -19.276 15.061 -31.103 350 HG23 THR 51 HG23 THR 51 -17.959 13.905 -30.898 351 H ALA 52 HN ALA 52 -14.861 14.438 -29.330 352 HA ALA 52 HA ALA 52 -14.387 17.295 -29.618 353 HB1 ALA 52 HB1 ALA 52 -13.540 16.815 -27.394 354 HB2 ALA 52 HB2 ALA 52 -12.183 17.106 -28.490 355 HB3 ALA 52 HB3 ALA 52 -12.603 15.463 -28.018 356 H ARG 53 HN ARG 53 -13.277 17.742 -31.384 357 HA ARG 53 HA ARG 53 -12.268 17.579 -33.386 358 HB2 ARG 53 HB2 ARG 53 -10.984 15.067 -32.298 359 HB3 ARG 53 HB1 ARG 53 -10.476 15.939 -33.751 360 HG2 ARG 53 HG2 ARG 53 -10.010 17.884 -32.236 361 HG3 ARG 53 HG1 ARG 53 -10.304 16.763 -30.890 362 HD2 ARG 53 HD2 ARG 53 -8.228 16.500 -33.056 363 HD3 ARG 53 HD1 ARG 53 -7.939 16.920 -31.357 364 HE ARG 53 HE ARG 53 -9.155 14.574 -31.149 365 HH11 ARG 53 HH11 ARG 53 -6.500 15.547 -33.273 366 HH12 ARG 53 HH12 ARG 53 -5.724 14.041 -33.261 367 HH21 ARG 53 HH21 ARG 53 -8.071 12.437 -31.134 368 HH22 ARG 53 HH22 ARG 53 -6.634 12.271 -32.018 369 H GLY 54 HN GLY 54 -14.731 16.328 -32.780 370 HA2 GLY 54 HA2 GLY 54 -16.357 15.239 -34.032 371 HA3 GLY 54 HA1 GLY 54 -15.106 14.837 -35.215 372 H HIS 55 HN HIS 55 -14.048 13.841 -32.177 373 HA HIS 55 HA HIS 55 -14.866 11.107 -32.789 374 HB2 HIS 55 HB2 HIS 55 -12.740 12.164 -30.904 375 HB3 HIS 55 HB1 HIS 55 -13.140 10.459 -31.118 376 HD1 HIS 55 HD1 HIS 55 -11.860 9.242 -32.955 377 HD2 HIS 55 HD2 HIS 55 -11.542 13.380 -33.209 378 HE1 HIS 55 HE1 HIS 55 -10.063 9.710 -34.651 379 H GLU 56 HN GLU 56 -16.225 10.057 -31.506 380 HA GLU 56 HA GLU 56 -17.262 11.476 -29.191 381 HB2 GLU 56 HB2 GLU 56 -18.330 9.119 -30.739 382 HB3 GLU 56 HB1 GLU 56 -19.129 9.885 -29.356 383 HG2 GLU 56 HG2 GLU 56 -19.370 11.934 -30.583 384 HG3 GLU 56 HG1 GLU 56 -18.462 11.276 -31.939 385 H PHE 57 HN PHE 57 -16.430 10.939 -27.334 386 HA PHE 57 HA PHE 57 -15.217 8.303 -26.993 387 HB2 PHE 57 HB2 PHE 57 -14.865 10.818 -25.358 388 HB3 PHE 57 HB1 PHE 57 -13.970 9.306 -25.196 389 HD1 PHE 57 HD1 PHE 57 -12.441 8.625 -27.081 390 HD2 PHE 57 HD2 PHE 57 -14.178 12.495 -26.792 391 HE1 PHE 57 HE1 PHE 57 -10.734 9.505 -28.621 392 HE2 PHE 57 HE2 PHE 57 -12.482 13.378 -28.330 393 HZ PHE 57 HZ PHE 57 -10.765 11.893 -29.247 394 H GLU 58 HN GLU 58 -16.625 6.978 -25.986 395 HA GLU 58 HA GLU 58 -18.552 8.103 -24.128 396 HB2 GLU 58 HB2 GLU 58 -18.915 6.180 -25.797 397 HB3 GLU 58 HB1 GLU 58 -18.008 5.182 -24.651 398 HG2 GLU 58 HG2 GLU 58 -20.321 4.839 -24.240 399 HG3 GLU 58 HG1 GLU 58 -19.703 5.846 -22.927 400 H VAL 59 HN VAL 59 -17.711 8.563 -22.229 401 HA VAL 59 HA VAL 59 -15.358 7.038 -21.340 402 HB VAL 59 HB VAL 59 -14.623 8.962 -20.080 403 HG11 VAL 59 HG11 VAL 59 -14.204 10.610 -21.829 404 HG12 VAL 59 HG12 VAL 59 -15.395 9.809 -22.854 405 HG13 VAL 59 HG13 VAL 59 -13.924 8.961 -22.379 406 HG21 VAL 59 HG21 VAL 59 -17.127 10.387 -20.992 407 HG22 VAL 59 HG22 VAL 59 -15.795 11.126 -20.102 408 HG23 VAL 59 HG23 VAL 59 -16.763 9.862 -19.349 409 H GLU 60 HN GLU 60 -15.169 6.656 -19.138 410 HA GLU 60 HA GLU 60 -17.643 6.889 -17.604 411 HB2 GLU 60 HB2 GLU 60 -17.094 4.517 -18.153 412 HB3 GLU 60 HB1 GLU 60 -15.522 4.739 -17.378 413 HG2 GLU 60 HG2 GLU 60 -16.570 5.078 -15.234 414 HG3 GLU 60 HG1 GLU 60 -18.168 5.040 -15.970 415 H ALA 61 HN ALA 61 -17.412 8.300 -16.007 416 HA ALA 61 HA ALA 61 -14.785 9.093 -15.130 417 HB1 ALA 61 HB1 ALA 61 -17.501 9.753 -13.942 418 HB2 ALA 61 HB2 ALA 61 -16.631 10.739 -15.113 419 HB3 ALA 61 HB3 ALA 61 -15.976 10.520 -13.494 420 H LYS 62 HN LYS 62 -13.823 7.361 -14.388 421 HA LYS 62 HA LYS 62 -14.964 5.140 -13.167 422 HB2 LYS 62 HB2 LYS 62 -12.103 6.046 -12.962 423 HB3 LYS 62 HB1 LYS 62 -12.694 4.413 -12.744 424 HG2 LYS 62 HG2 LYS 62 -12.840 5.964 -15.324 425 HG3 LYS 62 HG1 LYS 62 -11.560 4.822 -14.886 426 HD2 LYS 62 HD2 LYS 62 -14.498 4.145 -15.119 427 HD3 LYS 62 HD1 LYS 62 -13.328 3.856 -16.396 428 HE2 LYS 62 HE2 LYS 62 -12.070 2.386 -14.853 429 HE3 LYS 62 HE1 LYS 62 -13.306 2.660 -13.629 430 HZ1 LYS 62 HZ1 LYS 62 -14.933 1.745 -15.187 431 HZ2 LYS 62 HZ2 LYS 62 -13.745 0.611 -14.727 432 HZ3 LYS 62 HZ3 LYS 62 -13.678 1.329 -16.248 433 H ASP 63 HN ASP 63 -12.919 7.610 -11.705 434 HA ASP 63 HA ASP 63 -14.118 7.181 -9.102 435 HB2 ASP 63 HB2 ASP 63 -12.463 5.344 -9.280 436 HB3 ASP 63 HB1 ASP 63 -11.211 6.513 -9.653 437 H GLN 64 HN GLN 64 -12.928 8.636 -7.480 438 HA GLN 64 HA GLN 64 -13.124 11.289 -8.327 439 HB2 GLN 64 HB2 GLN 64 -11.751 10.234 -5.868 440 HB3 GLN 64 HB1 GLN 64 -12.293 11.880 -6.117 441 HG2 GLN 64 HG2 GLN 64 -14.606 11.138 -6.141 442 HG3 GLN 64 HG1 GLN 64 -14.077 9.463 -5.958 443 HE21 GLN 64 HE21 GLN 64 -15.774 11.068 -4.204 444 HE22 GLN 64 HE22 GLN 64 -15.004 11.048 -2.661 445 H ASN 65 HN ASN 65 -10.391 9.144 -8.412 446 HA ASN 65 HA ASN 65 -8.352 11.140 -8.427 447 HB2 ASN 65 HB2 ASN 65 -8.389 8.269 -9.334 448 HB3 ASN 65 HB1 ASN 65 -6.996 9.311 -9.649 449 HD21 ASN 65 HD21 ASN 65 -5.699 9.925 -7.948 450 HD22 ASN 65 HD22 ASN 65 -5.801 9.227 -6.381 451 H CYS 66 HN CYS 66 -10.654 10.218 -10.685 452 HA CYS 66 HA CYS 66 -11.076 10.629 -12.779 453 HB2 CYS 66 HB2 CYS 66 -9.611 13.102 -12.042 454 HB3 CYS 66 HB1 CYS 66 -10.191 12.872 -13.700 455 H LYS 67 HN LYS 67 -9.828 8.730 -13.175 456 HA LYS 67 HA LYS 67 -7.847 9.416 -15.078 457 HB2 LYS 67 HB2 LYS 67 -7.869 7.427 -13.161 458 HB3 LYS 67 HB1 LYS 67 -8.326 6.572 -14.648 459 HG2 LYS 67 HG2 LYS 67 -5.931 6.414 -14.091 460 HG3 LYS 67 HG1 LYS 67 -6.231 7.176 -15.653 461 HD2 LYS 67 HD2 LYS 67 -6.187 9.011 -13.412 462 HD3 LYS 67 HD1 LYS 67 -4.612 8.225 -13.705 463 HE2 LYS 67 HE2 LYS 67 -4.575 9.017 -15.925 464 HE3 LYS 67 HE1 LYS 67 -6.286 9.430 -15.836 465 HZ1 LYS 67 HZ1 LYS 67 -4.822 11.407 -15.723 466 HZ2 LYS 67 HZ2 LYS 67 -4.064 10.784 -14.355 467 HZ3 LYS 67 HZ3 LYS 67 -5.676 11.226 -14.283 468 H VAL 68 HN VAL 68 -8.537 9.413 -17.132 469 HA VAL 68 HA VAL 68 -11.261 8.694 -17.502 470 HB VAL 68 HB VAL 68 -10.669 10.837 -18.311 471 HG11 VAL 68 HG11 VAL 68 -8.336 10.641 -18.703 472 HG12 VAL 68 HG12 VAL 68 -9.091 11.185 -20.203 473 HG13 VAL 68 HG13 VAL 68 -8.594 9.499 -20.015 474 HG21 VAL 68 HG21 VAL 68 -12.390 9.725 -19.578 475 HG22 VAL 68 HG22 VAL 68 -11.187 8.942 -20.590 476 HG23 VAL 68 HG23 VAL 68 -11.406 10.692 -20.684 477 H ILE 69 HN ILE 69 -11.583 6.674 -17.641 478 HA ILE 69 HA ILE 69 -10.331 5.237 -19.842 479 HB ILE 69 HB ILE 69 -11.535 4.167 -17.264 480 HG12 ILE 69 HG12 ILE 69 -9.333 2.863 -17.249 481 HG13 ILE 69 HG11 ILE 69 -8.818 3.940 -18.523 482 HG21 ILE 69 HG21 ILE 69 -11.214 1.895 -18.110 483 HG22 ILE 69 HG22 ILE 69 -10.763 2.552 -19.682 484 HG23 ILE 69 HG23 ILE 69 -12.397 2.790 -19.065 485 HD11 ILE 69 HD11 ILE 69 -9.089 5.848 -17.010 486 HD12 ILE 69 HD12 ILE 69 -7.944 4.656 -16.397 487 HD13 ILE 69 HD13 ILE 69 -9.572 4.741 -15.724 488 H LEU 70 HN LEU 70 -11.639 4.444 -21.387 489 HA LEU 70 HA LEU 70 -14.288 5.575 -21.515 490 HB2 LEU 70 HB2 LEU 70 -13.064 3.679 -23.429 491 HB3 LEU 70 HB1 LEU 70 -14.362 4.787 -23.736 492 HG LEU 70 HG LEU 70 -11.525 5.495 -23.245 493 HD11 LEU 70 HD11 LEU 70 -13.171 5.590 -25.786 494 HD12 LEU 70 HD12 LEU 70 -11.849 4.475 -25.448 495 HD13 LEU 70 HD13 LEU 70 -11.525 6.199 -25.642 496 HD21 LEU 70 HD21 LEU 70 -12.918 7.230 -22.435 497 HD22 LEU 70 HD22 LEU 70 -13.863 7.247 -23.928 498 HD23 LEU 70 HD23 LEU 70 -12.180 7.785 -23.937 499 H THR 71 HN THR 71 -15.788 4.054 -22.644 500 HA THR 71 HA THR 71 -16.571 2.064 -20.736 501 HB THR 71 HB THR 71 -18.408 1.675 -22.474 502 HG1 THR 71 HG1 THR 71 -18.445 3.093 -24.170 503 HG21 THR 71 HG21 THR 71 -19.533 3.784 -21.885 504 HG22 THR 71 HG22 THR 71 -17.993 4.463 -21.357 505 HG23 THR 71 HG23 THR 71 -18.706 3.105 -20.484 506 H ASN 72 HN ASN 72 -14.794 2.099 -23.576 507 HA ASN 72 HA ASN 72 -15.095 -0.700 -24.242 508 HB2 ASN 72 HB2 ASN 72 -13.203 1.418 -25.295 509 HB3 ASN 72 HB1 ASN 72 -13.217 -0.254 -25.871 510 HD21 ASN 72 HD21 ASN 72 -14.851 2.844 -25.930 511 HD22 ASN 72 HD22 ASN 72 -15.985 2.418 -27.133 512 H GLY 73 HN GLY 73 -13.504 0.906 -21.821 513 HA2 GLY 73 HA2 GLY 73 -12.110 0.035 -20.211 514 HA3 GLY 73 HA1 GLY 73 -11.857 -1.390 -21.241 515 H LYS 74 HN LYS 74 -11.625 1.542 -22.772 516 HA LYS 74 HA LYS 74 -8.777 1.152 -23.092 517 HB2 LYS 74 HB2 LYS 74 -10.725 2.829 -24.661 518 HB3 LYS 74 HB1 LYS 74 -9.031 2.622 -25.052 519 HG2 LYS 74 HG2 LYS 74 -11.081 0.421 -25.027 520 HG3 LYS 74 HG1 LYS 74 -10.544 1.287 -26.464 521 HD2 LYS 74 HD2 LYS 74 -8.245 0.488 -26.045 522 HD3 LYS 74 HD1 LYS 74 -8.842 -0.418 -24.652 523 HE2 LYS 74 HE2 LYS 74 -8.630 -1.861 -26.601 524 HE3 LYS 74 HE1 LYS 74 -10.310 -1.690 -26.090 525 HZ1 LYS 74 HZ1 LYS 74 -10.039 -1.565 -28.511 526 HZ2 LYS 74 HZ2 LYS 74 -9.055 -0.208 -28.352 527 HZ3 LYS 74 HZ3 LYS 74 -10.680 -0.133 -27.906 528 H GLN 75 HN GLN 75 -7.407 2.829 -22.600 529 HA GLN 75 HA GLN 75 -8.503 4.914 -20.959 530 HB2 GLN 75 HB2 GLN 75 -5.673 4.225 -21.771 531 HB3 GLN 75 HB1 GLN 75 -6.054 5.688 -20.885 532 HG2 GLN 75 HG2 GLN 75 -5.205 3.983 -19.399 533 HG3 GLN 75 HG1 GLN 75 -6.881 4.325 -19.017 534 HE21 GLN 75 HE21 GLN 75 -4.658 2.031 -20.303 535 HE22 GLN 75 HE22 GLN 75 -5.701 0.654 -20.234 536 H ALA 76 HN ALA 76 -8.709 6.970 -21.568 537 HA ALA 76 HA ALA 76 -9.124 7.445 -24.289 538 HB1 ALA 76 HB1 ALA 76 -9.768 9.664 -23.542 539 HB2 ALA 76 HB2 ALA 76 -9.055 9.352 -21.967 540 HB3 ALA 76 HB3 ALA 76 -10.458 8.420 -22.503 541 HA PRO 77 HA PRO 77 -5.376 9.223 -25.907 542 HB2 PRO 77 HB2 PRO 77 -6.855 11.759 -26.337 543 HB3 PRO 77 HB1 PRO 77 -5.968 10.760 -27.511 544 HG2 PRO 77 HG2 PRO 77 -8.602 10.814 -27.498 545 HG3 PRO 77 HG1 PRO 77 -7.698 9.315 -27.827 546 HD2 PRO 77 HD2 PRO 77 -9.171 10.087 -25.341 547 HD3 PRO 77 HD1 PRO 77 -8.937 8.506 -26.105 548 H ASP 78 HN ASP 78 -3.735 10.520 -25.370 549 HA ASP 78 HA ASP 78 -3.273 11.268 -22.770 550 HB2 ASP 78 HB2 ASP 78 -1.491 10.862 -24.325 551 HB3 ASP 78 HB1 ASP 78 -1.972 12.239 -25.306 552 H TRP 79 HN TRP 79 -4.481 13.218 -25.385 553 HA TRP 79 HA TRP 79 -4.179 15.695 -23.993 554 HB2 TRP 79 HB2 TRP 79 -5.304 16.680 -26.000 555 HB3 TRP 79 HB1 TRP 79 -3.901 15.677 -26.378 556 HD1 TRP 79 HD1 TRP 79 -4.298 13.569 -27.726 557 HE1 TRP 79 HE1 TRP 79 -6.268 12.677 -29.132 558 HE3 TRP 79 HE3 TRP 79 -7.913 16.683 -26.001 559 HZ2 TRP 79 HZ2 TRP 79 -9.024 13.252 -29.434 560 HZ3 TRP 79 HZ3 TRP 79 -10.194 16.466 -26.888 561 HH2 TRP 79 HH2 TRP 79 -10.733 14.779 -28.575 562 H LEU 80 HN LEU 80 -6.574 13.277 -23.834 563 HA LEU 80 HA LEU 80 -8.634 15.210 -23.221 564 HB2 LEU 80 HB2 LEU 80 -9.195 13.086 -24.486 565 HB3 LEU 80 HB1 LEU 80 -8.725 12.192 -23.046 566 HG LEU 80 HG LEU 80 -10.512 13.201 -21.777 567 HD11 LEU 80 HD11 LEU 80 -10.701 15.360 -22.890 568 HD12 LEU 80 HD12 LEU 80 -12.262 14.544 -22.895 569 HD13 LEU 80 HD13 LEU 80 -11.281 14.572 -24.357 570 HD21 LEU 80 HD21 LEU 80 -11.437 11.969 -24.370 571 HD22 LEU 80 HD22 LEU 80 -12.431 12.151 -22.928 572 HD23 LEU 80 HD23 LEU 80 -11.008 11.117 -22.883 573 H ALA 81 HN ALA 81 -8.275 16.136 -21.377 574 HA ALA 81 HA ALA 81 -6.968 14.594 -19.254 575 HB1 ALA 81 HB1 ALA 81 -6.357 16.725 -18.269 576 HB2 ALA 81 HB2 ALA 81 -7.281 17.577 -19.507 577 HB3 ALA 81 HB3 ALA 81 -5.854 16.649 -19.958 578 H ALA 82 HN ALA 82 -8.032 13.966 -17.579 579 HA ALA 82 HA ALA 82 -10.648 15.140 -16.996 580 HB1 ALA 82 HB1 ALA 82 -10.645 12.735 -17.418 581 HB2 ALA 82 HB2 ALA 82 -11.077 13.073 -15.745 582 HB3 ALA 82 HB3 ALA 82 -9.453 12.497 -16.140 583 H GLU 83 HN GLU 83 -10.893 16.244 -15.202 584 HA GLU 83 HA GLU 83 -8.761 16.271 -13.190 585 HB2 GLU 83 HB2 GLU 83 -10.322 18.510 -14.420 586 HB3 GLU 83 HB1 GLU 83 -9.536 18.692 -12.860 587 HG2 GLU 83 HG2 GLU 83 -8.082 17.828 -15.328 588 HG3 GLU 83 HG1 GLU 83 -8.252 19.518 -14.852 589 HA PRO 84 HA PRO 84 -12.122 15.171 -10.468 590 HB2 PRO 84 HB2 PRO 84 -10.772 15.668 -8.143 591 HB3 PRO 84 HB1 PRO 84 -10.460 14.219 -9.130 592 HG2 PRO 84 HG2 PRO 84 -8.984 16.796 -9.035 593 HG3 PRO 84 HG1 PRO 84 -8.360 15.128 -9.001 594 HD2 PRO 84 HD2 PRO 84 -8.303 16.486 -11.243 595 HD3 PRO 84 HD1 PRO 84 -8.780 14.761 -11.149 596 H TYR 85 HN TYR 85 -13.829 16.451 -9.910 597 HA TYR 85 HA TYR 85 -13.137 19.091 -8.979 598 HB2 TYR 85 HB2 TYR 85 -14.157 19.226 -11.194 599 HB3 TYR 85 HB1 TYR 85 -15.593 18.376 -10.591 600 HD1 TYR 85 HD1 TYR 85 -13.518 21.413 -9.973 601 HD2 TYR 85 HD2 TYR 85 -17.380 19.644 -9.788 602 HE1 TYR 85 HE1 TYR 85 -14.470 23.574 -9.288 603 HE2 TYR 85 HE2 TYR 85 -18.340 21.795 -9.106 604 HH TYR 85 HH TYR 85 -16.609 24.696 -9.333 Start of MODEL 8 1 H SER 7 HT1 SER 7 -13.051 -18.970 12.399 2 HA SER 7 HA SER 7 -15.329 -18.431 11.967 3 HB2 SER 7 HB2 SER 7 -14.224 -17.957 14.204 4 HB3 SER 7 HB1 SER 7 -13.953 -16.294 13.657 5 HG SER 7 HG SER 7 -16.512 -17.511 13.784 6 H GLY 8 HN GLY 8 -16.285 -15.733 12.325 7 HA2 GLY 8 HA2 GLY 8 -16.430 -14.969 9.599 8 HA3 GLY 8 HA1 GLY 8 -17.090 -14.076 10.967 9 H ARG 9 HN ARG 9 -15.549 -13.199 8.564 10 HA ARG 9 HA ARG 9 -13.295 -12.028 9.953 11 HB2 ARG 9 HB2 ARG 9 -13.527 -12.788 7.052 12 HB3 ARG 9 HB1 ARG 9 -12.250 -11.778 7.700 13 HG2 ARG 9 HG2 ARG 9 -11.567 -13.625 9.168 14 HG3 ARG 9 HG1 ARG 9 -12.813 -14.634 8.438 15 HD2 ARG 9 HD2 ARG 9 -11.803 -14.413 6.283 16 HD3 ARG 9 HD1 ARG 9 -10.593 -13.296 6.911 17 HE ARG 9 HE ARG 9 -9.999 -15.284 8.390 18 HH11 ARG 9 HH11 ARG 9 -11.041 -15.445 5.029 19 HH12 ARG 9 HH12 ARG 9 -10.235 -16.890 4.663 20 HH21 ARG 9 HH21 ARG 9 -8.814 -17.254 7.902 21 HH22 ARG 9 HH22 ARG 9 -8.935 -17.961 6.349 22 H GLU 10 HN GLU 10 -14.234 -10.365 10.584 23 HA GLU 10 HA GLU 10 -15.816 -8.589 9.101 24 HB2 GLU 10 HB2 GLU 10 -15.144 -6.901 10.873 25 HB3 GLU 10 HB1 GLU 10 -15.895 -8.374 11.466 26 HG2 GLU 10 HG2 GLU 10 -13.720 -9.270 12.036 27 HG3 GLU 10 HG1 GLU 10 -12.987 -7.814 11.351 28 H ASN 11 HN ASN 11 -15.159 -7.896 7.221 29 HA ASN 11 HA ASN 11 -12.412 -6.881 6.969 30 HB2 ASN 11 HB2 ASN 11 -12.361 -7.680 4.655 31 HB3 ASN 11 HB1 ASN 11 -12.668 -9.007 5.770 32 HD21 ASN 11 HD21 ASN 11 -14.769 -9.944 5.806 33 HD22 ASN 11 HD22 ASN 11 -15.843 -9.735 4.473 34 H LEU 12 HN LEU 12 -15.446 -5.889 7.140 35 HA LEU 12 HA LEU 12 -15.344 -3.899 5.019 36 HB2 LEU 12 HB2 LEU 12 -17.494 -4.950 5.731 37 HB3 LEU 12 HB1 LEU 12 -17.291 -4.183 7.295 38 HG LEU 12 HG LEU 12 -17.234 -2.001 6.108 39 HD11 LEU 12 HD11 LEU 12 -18.267 -1.872 3.885 40 HD12 LEU 12 HD12 LEU 12 -18.183 -3.632 3.771 41 HD13 LEU 12 HD13 LEU 12 -16.701 -2.675 3.888 42 HD21 LEU 12 HD21 LEU 12 -19.755 -3.635 5.909 43 HD22 LEU 12 HD22 LEU 12 -19.668 -1.873 5.837 44 HD23 LEU 12 HD23 LEU 12 -19.199 -2.715 7.307 45 H TYR 13 HN TYR 13 -13.640 -2.664 5.407 46 HA TYR 13 HA TYR 13 -13.417 -1.408 8.010 47 HB2 TYR 13 HB2 TYR 13 -11.580 -1.353 5.606 48 HB3 TYR 13 HB1 TYR 13 -11.275 -0.506 7.118 49 HD1 TYR 13 HD2 TYR 13 -11.146 -1.947 9.254 50 HD2 TYR 13 HD1 TYR 13 -10.854 -3.565 5.332 51 HE1 TYR 13 HE2 TYR 13 -10.071 -3.954 10.171 52 HE2 TYR 13 HE1 TYR 13 -9.774 -5.580 6.241 53 HH TYR 13 HH TYR 13 -8.547 -6.252 8.154 54 H PHE 14 HN PHE 14 -14.191 0.513 8.361 55 HA PHE 14 HA PHE 14 -15.543 1.850 6.237 56 HB2 PHE 14 HB2 PHE 14 -15.325 2.485 9.179 57 HB3 PHE 14 HB1 PHE 14 -16.277 3.422 8.035 58 HD1 PHE 14 HD1 PHE 14 -18.289 2.487 7.034 59 HD2 PHE 14 HD2 PHE 14 -16.053 0.325 9.938 60 HE1 PHE 14 HE1 PHE 14 -20.189 0.967 7.358 61 HE2 PHE 14 HE2 PHE 14 -17.953 -1.199 10.265 62 HZ PHE 14 HZ PHE 14 -20.021 -0.878 8.973 63 H GLN 15 HN GLN 15 -14.385 2.943 4.904 64 HA GLN 15 HA GLN 15 -12.415 4.823 5.952 65 HB2 GLN 15 HB2 GLN 15 -11.536 3.328 4.259 66 HB3 GLN 15 HB1 GLN 15 -12.817 3.767 3.135 67 HG2 GLN 15 HG2 GLN 15 -11.908 6.116 3.201 68 HG3 GLN 15 HG1 GLN 15 -10.542 5.486 4.119 69 HE21 GLN 15 HE21 GLN 15 -12.134 5.549 1.063 70 HE22 GLN 15 HE22 GLN 15 -10.863 4.845 0.134 71 H GLY 16 HN GLY 16 -14.056 6.088 6.663 72 HA2 GLY 16 HA2 GLY 16 -15.875 7.293 4.732 73 HA3 GLY 16 HA1 GLY 16 -15.875 7.581 6.472 74 H HIS 17 HN HIS 17 -13.109 8.047 6.653 75 HA HIS 17 HA HIS 17 -13.014 10.812 6.056 76 HB2 HIS 17 HB2 HIS 17 -10.808 8.948 6.969 77 HB3 HIS 17 HB1 HIS 17 -10.682 10.695 6.913 78 HD1 HIS 17 HD1 HIS 17 -10.954 8.265 9.346 79 HD2 HIS 17 HD2 HIS 17 -13.171 11.687 8.579 80 HE1 HIS 17 HE1 HIS 17 -12.046 8.898 11.535 81 H MET 18 HN MET 18 -12.916 11.371 4.022 82 HA MET 18 HA MET 18 -10.861 10.145 2.292 83 HB2 MET 18 HB2 MET 18 -13.591 11.141 1.428 84 HB3 MET 18 HB1 MET 18 -12.345 10.553 0.349 85 HG2 MET 18 HG2 MET 18 -12.534 8.324 1.385 86 HG3 MET 18 HG1 MET 18 -13.815 8.942 2.426 87 HE1 MET 18 HE1 MET 18 -14.245 6.372 0.632 88 HE2 MET 18 HE2 MET 18 -15.849 6.684 -0.034 89 HE3 MET 18 HE3 MET 18 -15.500 7.071 1.652 90 H ALA 19 HN ALA 19 -10.625 11.736 0.281 91 HA ALA 19 HA ALA 19 -9.980 14.329 1.307 92 HB1 ALA 19 HB1 ALA 19 -9.653 13.114 -1.440 93 HB2 ALA 19 HB2 ALA 19 -8.424 13.168 -0.173 94 HB3 ALA 19 HB3 ALA 19 -8.978 14.661 -0.931 95 H ALA 20 HN ALA 20 -12.685 13.509 1.124 96 HA ALA 20 HA ALA 20 -14.756 14.157 0.665 97 HB1 ALA 20 HB1 ALA 20 -13.971 16.493 0.842 98 HB2 ALA 20 HB2 ALA 20 -15.257 16.330 -0.354 99 HB3 ALA 20 HB3 ALA 20 -13.576 16.486 -0.873 100 HA PRO 21 HA PRO 21 -15.249 11.898 -3.058 101 HB2 PRO 21 HB2 PRO 21 -17.994 12.013 -3.190 102 HB3 PRO 21 HB1 PRO 21 -17.119 10.887 -2.120 103 HG2 PRO 21 HG2 PRO 21 -18.415 13.470 -1.462 104 HG3 PRO 21 HG1 PRO 21 -18.354 11.962 -0.528 105 HD2 PRO 21 HD2 PRO 21 -16.783 14.068 0.044 106 HD3 PRO 21 HD1 PRO 21 -16.263 12.387 0.305 107 H ALA 22 HN ALA 22 -14.817 12.775 -4.953 108 HA ALA 22 HA ALA 22 -15.653 15.395 -5.688 109 HB1 ALA 22 HB1 ALA 22 -13.537 14.428 -6.523 110 HB2 ALA 22 HB2 ALA 22 -14.597 14.897 -7.850 111 HB3 ALA 22 HB3 ALA 22 -14.451 13.199 -7.403 112 H ARG 23 HN ARG 23 -17.210 15.925 -7.133 113 HA ARG 23 HA ARG 23 -19.346 13.906 -7.285 114 HB2 ARG 23 HB2 ARG 23 -19.478 16.895 -7.727 115 HB3 ARG 23 HB1 ARG 23 -20.854 15.803 -7.683 116 HG2 ARG 23 HG2 ARG 23 -20.402 15.289 -5.348 117 HG3 ARG 23 HG1 ARG 23 -18.982 16.331 -5.381 118 HD2 ARG 23 HD2 ARG 23 -20.449 18.232 -5.943 119 HD3 ARG 23 HD1 ARG 23 -21.851 17.176 -5.770 120 HE ARG 23 HE ARG 23 -20.221 17.083 -3.472 121 HH11 ARG 23 HH11 ARG 23 -22.538 19.226 -5.066 122 HH12 ARG 23 HH12 ARG 23 -23.099 19.943 -3.626 123 HH21 ARG 23 HH21 ARG 23 -20.921 18.144 -1.474 124 HH22 ARG 23 HH22 ARG 23 -22.160 19.313 -1.549 125 H PHE 24 HN PHE 24 -17.261 15.878 -9.167 126 HA PHE 24 HA PHE 24 -18.155 14.528 -11.593 127 HB2 PHE 24 HB2 PHE 24 -17.736 17.522 -11.330 128 HB3 PHE 24 HB1 PHE 24 -17.868 16.657 -12.859 129 HD1 PHE 24 HD2 PHE 24 -20.017 15.885 -13.635 130 HD2 PHE 24 HD1 PHE 24 -19.650 17.979 -9.954 131 HE1 PHE 24 HE2 PHE 24 -22.434 16.303 -13.633 132 HE2 PHE 24 HE1 PHE 24 -22.063 18.407 -9.950 133 HZ PHE 24 HZ PHE 24 -23.458 17.568 -11.788 134 H CYS 25 HN CYS 25 -16.505 14.643 -13.218 135 HA CYS 25 HA CYS 25 -13.929 15.643 -12.290 136 HB2 CYS 25 HB2 CYS 25 -14.601 13.342 -14.128 137 HB3 CYS 25 HB1 CYS 25 -13.020 14.129 -14.172 138 H VAL 26 HN VAL 26 -13.022 17.156 -13.524 139 HA VAL 26 HA VAL 26 -14.654 18.259 -15.716 140 HB VAL 26 HB VAL 26 -12.182 19.469 -14.518 141 HG11 VAL 26 HG11 VAL 26 -13.213 21.555 -15.197 142 HG12 VAL 26 HG12 VAL 26 -14.622 20.670 -15.770 143 HG13 VAL 26 HG13 VAL 26 -13.056 20.432 -16.544 144 HG21 VAL 26 HG21 VAL 26 -13.612 18.948 -12.619 145 HG22 VAL 26 HG22 VAL 26 -14.971 19.759 -13.395 146 HG23 VAL 26 HG23 VAL 26 -13.557 20.688 -12.888 147 H TYR 27 HN TYR 27 -14.080 17.838 -17.715 148 HA TYR 27 HA TYR 27 -11.353 16.903 -18.224 149 HB2 TYR 27 HB2 TYR 27 -13.855 16.616 -19.888 150 HB3 TYR 27 HB1 TYR 27 -12.240 16.095 -20.364 151 HD1 TYR 27 HD2 TYR 27 -14.960 15.534 -17.929 152 HD2 TYR 27 HD1 TYR 27 -11.355 14.007 -19.573 153 HE1 TYR 27 HE2 TYR 27 -15.338 13.417 -16.785 154 HE2 TYR 27 HE1 TYR 27 -11.733 11.879 -18.422 155 HH TYR 27 HH TYR 27 -14.701 11.051 -17.036 156 H TYR 28 HN TYR 28 -10.088 17.789 -19.663 157 HA TYR 28 HA TYR 28 -10.982 20.247 -20.992 158 HB2 TYR 28 HB2 TYR 28 -8.358 19.823 -19.571 159 HB3 TYR 28 HB1 TYR 28 -8.767 21.216 -20.574 160 HD1 TYR 28 HD1 TYR 28 -9.357 19.504 -17.389 161 HD2 TYR 28 HD2 TYR 28 -10.109 22.982 -19.694 162 HE1 TYR 28 HE1 TYR 28 -10.124 20.673 -15.375 163 HE2 TYR 28 HE2 TYR 28 -10.884 24.154 -17.684 164 HH TYR 28 HH TYR 28 -10.307 22.923 -14.586 165 H ASP 29 HN ASP 29 -10.075 20.622 -22.891 166 HA ASP 29 HA ASP 29 -8.669 18.492 -24.273 167 HB2 ASP 29 HB2 ASP 29 -10.477 19.426 -25.506 168 HB3 ASP 29 HB1 ASP 29 -9.939 21.067 -25.145 169 H GLY 30 HN GLY 30 -6.629 18.554 -23.619 170 HA2 GLY 30 HA2 GLY 30 -4.706 19.816 -24.739 171 HA3 GLY 30 HA1 GLY 30 -5.128 21.090 -23.617 172 H HIS 31 HN HIS 31 -3.007 19.113 -24.103 173 HA HIS 31 HA HIS 31 -2.800 17.462 -21.774 174 HB2 HIS 31 HB2 HIS 31 -1.815 16.832 -23.958 175 HB3 HIS 31 HB1 HIS 31 -0.711 18.208 -23.840 176 HD1 HIS 31 HD1 HIS 31 1.565 17.189 -23.393 177 HD2 HIS 31 HD2 HIS 31 -1.485 15.488 -21.223 178 HE1 HIS 31 HE1 HIS 31 2.683 15.513 -21.888 179 H LEU 32 HN LEU 32 -2.440 20.762 -22.093 180 HA LEU 32 HA LEU 32 -0.509 20.836 -19.925 181 HB2 LEU 32 HB2 LEU 32 0.568 21.106 -22.212 182 HB3 LEU 32 HB1 LEU 32 -0.350 22.582 -22.384 183 HG LEU 32 HG LEU 32 0.731 23.380 -20.316 184 HD11 LEU 32 HD11 LEU 32 2.829 22.281 -19.626 185 HD12 LEU 32 HD12 LEU 32 2.580 21.062 -20.874 186 HD13 LEU 32 HD13 LEU 32 1.491 21.128 -19.511 187 HD21 LEU 32 HD21 LEU 32 2.807 24.016 -21.480 188 HD22 LEU 32 HD22 LEU 32 1.399 24.143 -22.534 189 HD23 LEU 32 HD23 LEU 32 2.495 22.773 -22.691 190 HA PRO 33 HA PRO 33 -3.622 23.595 -18.346 191 HB2 PRO 33 HB2 PRO 33 -2.017 25.054 -16.638 192 HB3 PRO 33 HB1 PRO 33 -2.655 23.440 -16.260 193 HG2 PRO 33 HG2 PRO 33 0.033 24.175 -17.304 194 HG3 PRO 33 HG1 PRO 33 -0.416 22.996 -16.052 195 HD2 PRO 33 HD2 PRO 33 0.202 22.206 -18.482 196 HD3 PRO 33 HD1 PRO 33 -1.115 21.417 -17.572 197 H ALA 34 HN ALA 34 -0.964 24.574 -20.145 198 HA ALA 34 HA ALA 34 -1.705 27.392 -20.205 199 HB1 ALA 34 HB1 ALA 34 0.289 27.705 -21.532 200 HB2 ALA 34 HB2 ALA 34 0.521 25.960 -21.634 201 HB3 ALA 34 HB3 ALA 34 0.661 26.776 -20.078 202 H THR 35 HN THR 35 -2.675 24.613 -21.836 203 HA THR 35 HA THR 35 -3.466 26.215 -24.187 204 HB THR 35 HB THR 35 -1.411 24.813 -24.626 205 HG1 THR 35 HG1 THR 35 -2.439 25.169 -26.483 206 HG21 THR 35 HG21 THR 35 -1.613 22.389 -24.802 207 HG22 THR 35 HG22 THR 35 -3.310 22.495 -24.353 208 HG23 THR 35 HG23 THR 35 -2.079 22.906 -23.173 209 H ARG 36 HN ARG 36 -4.687 24.792 -21.638 210 HA ARG 36 HA ARG 36 -6.264 22.758 -22.909 211 HB2 ARG 36 HB2 ARG 36 -6.600 21.817 -20.857 212 HB3 ARG 36 HB1 ARG 36 -5.176 22.724 -20.558 213 HG2 ARG 36 HG2 ARG 36 -7.892 23.783 -19.793 214 HG3 ARG 36 HG1 ARG 36 -6.908 22.798 -18.729 215 HD2 ARG 36 HD2 ARG 36 -6.504 24.988 -18.026 216 HD3 ARG 36 HD1 ARG 36 -5.119 24.641 -19.055 217 HE ARG 36 HE ARG 36 -6.864 25.832 -20.738 218 HH11 ARG 36 HH11 ARG 36 -5.622 26.776 -17.556 219 HH12 ARG 36 HH12 ARG 36 -5.758 28.448 -17.870 220 HH21 ARG 36 HH21 ARG 36 -7.052 28.117 -21.142 221 HH22 ARG 36 HH22 ARG 36 -6.584 29.223 -19.945 222 H VAL 37 HN VAL 37 -8.395 22.680 -23.303 223 HA VAL 37 HA VAL 37 -9.942 25.158 -22.875 224 HB VAL 37 HB VAL 37 -10.251 23.013 -25.009 225 HG11 VAL 37 HG11 VAL 37 -11.928 24.509 -26.024 226 HG12 VAL 37 HG12 VAL 37 -11.759 25.616 -24.666 227 HG13 VAL 37 HG13 VAL 37 -12.419 24.001 -24.408 228 HG21 VAL 37 HG21 VAL 37 -9.559 24.754 -26.587 229 HG22 VAL 37 HG22 VAL 37 -8.299 24.413 -25.395 230 HG23 VAL 37 HG23 VAL 37 -9.293 25.864 -25.244 231 H LEU 38 HN LEU 38 -11.856 24.954 -21.790 232 HA LEU 38 HA LEU 38 -12.280 22.616 -20.225 233 HB2 LEU 38 HB2 LEU 38 -12.842 24.893 -19.428 234 HB3 LEU 38 HB1 LEU 38 -14.013 25.069 -20.702 235 HG LEU 38 HG LEU 38 -14.920 24.740 -18.369 236 HD11 LEU 38 HD11 LEU 38 -15.823 22.732 -20.418 237 HD12 LEU 38 HD12 LEU 38 -16.371 24.402 -20.273 238 HD13 LEU 38 HD13 LEU 38 -16.735 23.239 -18.995 239 HD21 LEU 38 HD21 LEU 38 -15.017 22.477 -17.488 240 HD22 LEU 38 HD22 LEU 38 -13.355 23.059 -17.612 241 HD23 LEU 38 HD23 LEU 38 -13.986 21.921 -18.804 242 H LEU 39 HN LEU 39 -13.418 20.769 -20.784 243 HA LEU 39 HA LEU 39 -15.029 20.968 -23.208 244 HB2 LEU 39 HB2 LEU 39 -13.922 18.547 -21.795 245 HB3 LEU 39 HB1 LEU 39 -14.966 18.479 -23.200 246 HG LEU 39 HG LEU 39 -12.198 19.679 -23.115 247 HD11 LEU 39 HD11 LEU 39 -12.196 17.247 -22.988 248 HD12 LEU 39 HD12 LEU 39 -11.599 17.802 -24.550 249 HD13 LEU 39 HD13 LEU 39 -13.239 17.168 -24.409 250 HD21 LEU 39 HD21 LEU 39 -13.617 20.873 -24.697 251 HD22 LEU 39 HD22 LEU 39 -14.129 19.342 -25.407 252 HD23 LEU 39 HD23 LEU 39 -12.457 19.864 -25.560 253 H MET 40 HN MET 40 -15.304 19.227 -20.030 254 HA MET 40 HA MET 40 -17.849 20.136 -19.405 255 HB2 MET 40 HB2 MET 40 -19.269 18.249 -19.973 256 HB3 MET 40 HB1 MET 40 -18.627 18.990 -21.443 257 HG2 MET 40 HG2 MET 40 -16.982 17.206 -21.611 258 HG3 MET 40 HG1 MET 40 -17.625 16.521 -20.116 259 HE1 MET 40 HE1 MET 40 -20.014 15.401 -19.894 260 HE2 MET 40 HE2 MET 40 -21.204 15.333 -21.196 261 HE3 MET 40 HE3 MET 40 -20.796 16.877 -20.464 262 H TYR 41 HN TYR 41 -18.903 18.826 -17.884 263 HA TYR 41 HA TYR 41 -16.956 17.594 -16.071 264 HB2 TYR 41 HB2 TYR 41 -19.697 18.813 -15.595 265 HB3 TYR 41 HB1 TYR 41 -18.688 18.078 -14.347 266 HD1 TYR 41 HD2 TYR 41 -18.531 20.797 -16.939 267 HD2 TYR 41 HD1 TYR 41 -17.444 19.522 -13.029 268 HE1 TYR 41 HE2 TYR 41 -17.542 22.999 -16.507 269 HE2 TYR 41 HE1 TYR 41 -16.454 21.727 -12.586 270 HH TYR 41 HH TYR 41 -16.973 24.400 -14.651 271 H VAL 42 HN VAL 42 -17.311 15.506 -15.431 272 HA VAL 42 HA VAL 42 -19.803 14.210 -16.338 273 HB VAL 42 HB VAL 42 -17.057 12.922 -16.159 274 HG11 VAL 42 HG11 VAL 42 -18.108 10.920 -17.115 275 HG12 VAL 42 HG12 VAL 42 -19.686 11.703 -16.994 276 HG13 VAL 42 HG13 VAL 42 -18.772 11.333 -15.534 277 HG21 VAL 42 HG21 VAL 42 -17.254 14.348 -18.114 278 HG22 VAL 42 HG22 VAL 42 -18.771 13.572 -18.555 279 HG23 VAL 42 HG23 VAL 42 -17.265 12.652 -18.601 280 H ARG 43 HN ARG 43 -20.941 13.201 -14.833 281 HA ARG 43 HA ARG 43 -20.387 13.557 -12.104 282 HB2 ARG 43 HB2 ARG 43 -22.651 13.526 -12.983 283 HB3 ARG 43 HB1 ARG 43 -22.443 11.886 -13.562 284 HG2 ARG 43 HG2 ARG 43 -23.763 11.760 -11.603 285 HG3 ARG 43 HG1 ARG 43 -22.155 11.183 -11.172 286 HD2 ARG 43 HD2 ARG 43 -22.972 12.604 -9.412 287 HD3 ARG 43 HD1 ARG 43 -21.653 13.428 -10.246 288 HE ARG 43 HE ARG 43 -23.746 14.400 -11.543 289 HH11 ARG 43 HH11 ARG 43 -23.223 14.061 -8.047 290 HH12 ARG 43 HH12 ARG 43 -24.292 15.318 -7.652 291 HH21 ARG 43 HH21 ARG 43 -25.145 16.144 -10.979 292 HH22 ARG 43 HH22 ARG 43 -25.365 16.567 -9.339 293 H ILE 44 HN ILE 44 -19.357 12.321 -10.763 294 HA ILE 44 HA ILE 44 -17.945 9.991 -11.494 295 HB ILE 44 HB ILE 44 -18.600 11.037 -8.726 296 HG12 ILE 44 HG12 ILE 44 -17.295 12.486 -10.177 297 HG13 ILE 44 HG11 ILE 44 -16.342 11.960 -8.776 298 HG21 ILE 44 HG21 ILE 44 -16.798 9.594 -7.887 299 HG22 ILE 44 HG22 ILE 44 -16.581 8.918 -9.499 300 HG23 ILE 44 HG23 ILE 44 -18.082 8.634 -8.621 301 HD11 ILE 44 HD11 ILE 44 -16.171 10.999 -11.628 302 HD12 ILE 44 HD12 ILE 44 -15.297 10.273 -10.287 303 HD13 ILE 44 HD13 ILE 44 -14.976 11.945 -10.745 304 H GLY 45 HN GLY 45 -18.639 8.128 -11.862 305 HA2 GLY 45 HA2 GLY 45 -19.674 6.108 -10.994 306 HA3 GLY 45 HA1 GLY 45 -21.007 7.116 -10.441 307 H THR 46 HN THR 46 -20.415 8.561 -13.226 308 HA THR 46 HA THR 46 -22.203 6.737 -14.693 309 HB THR 46 HB THR 46 -23.129 8.742 -15.795 310 HG1 THR 46 HG1 THR 46 -21.112 10.002 -14.395 311 HG21 THR 46 HG21 THR 46 -23.285 8.849 -12.785 312 HG22 THR 46 HG22 THR 46 -24.281 7.841 -13.840 313 HG23 THR 46 HG23 THR 46 -24.427 9.596 -13.902 314 H THR 47 HN THR 47 -22.144 6.884 -16.939 315 HA THR 47 HA THR 47 -19.501 7.469 -18.011 316 HB THR 47 HB THR 47 -20.329 6.360 -20.018 317 HG1 THR 47 HG1 THR 47 -22.460 6.456 -19.979 318 HG21 THR 47 HG21 THR 47 -20.348 4.030 -19.148 319 HG22 THR 47 HG22 THR 47 -20.554 4.674 -17.518 320 HG23 THR 47 HG23 THR 47 -19.082 5.021 -18.426 321 H ALA 48 HN ALA 48 -19.422 8.678 -19.871 322 HA ALA 48 HA ALA 48 -21.741 10.182 -20.719 323 HB1 ALA 48 HB1 ALA 48 -19.458 11.667 -19.433 324 HB2 ALA 48 HB2 ALA 48 -21.079 11.478 -18.757 325 HB3 ALA 48 HB3 ALA 48 -20.843 12.397 -20.244 326 H THR 49 HN THR 49 -21.441 11.286 -22.603 327 HA THR 49 HA THR 49 -19.211 10.312 -24.164 328 HB THR 49 HB THR 49 -21.601 11.929 -25.041 329 HG1 THR 49 HG1 THR 49 -21.319 9.143 -24.514 330 HG21 THR 49 HG21 THR 49 -21.089 10.964 -27.246 331 HG22 THR 49 HG22 THR 49 -19.698 10.126 -26.552 332 HG23 THR 49 HG23 THR 49 -19.723 11.887 -26.620 333 H ILE 50 HN ILE 50 -17.464 11.583 -24.224 334 HA ILE 50 HA ILE 50 -17.676 14.515 -24.059 335 HB ILE 50 HB ILE 50 -15.211 12.878 -24.643 336 HG12 ILE 50 HG12 ILE 50 -16.196 11.997 -22.550 337 HG13 ILE 50 HG11 ILE 50 -14.640 12.780 -22.267 338 HG21 ILE 50 HG21 ILE 50 -14.002 14.778 -23.645 339 HG22 ILE 50 HG22 ILE 50 -15.540 15.596 -23.382 340 HG23 ILE 50 HG23 ILE 50 -14.995 15.254 -25.023 341 HD11 ILE 50 HD11 ILE 50 -16.233 13.303 -20.515 342 HD12 ILE 50 HD12 ILE 50 -17.367 13.936 -21.710 343 HD13 ILE 50 HD13 ILE 50 -15.827 14.753 -21.433 344 H THR 51 HN THR 51 -17.205 15.687 -25.901 345 HA THR 51 HA THR 51 -16.787 14.141 -28.352 346 HB THR 51 HB THR 51 -18.798 16.395 -28.100 347 HG1 THR 51 HG1 THR 51 -18.902 13.710 -27.600 348 HG21 THR 51 HG21 THR 51 -19.550 15.613 -30.309 349 HG22 THR 51 HG22 THR 51 -18.302 14.369 -30.298 350 HG23 THR 51 HG23 THR 51 -17.849 16.075 -30.365 351 H ALA 52 HN ALA 52 -14.920 14.752 -29.066 352 HA ALA 52 HA ALA 52 -14.368 17.573 -29.418 353 HB1 ALA 52 HB1 ALA 52 -13.337 17.096 -27.268 354 HB2 ALA 52 HB2 ALA 52 -12.076 17.312 -28.485 355 HB3 ALA 52 HB3 ALA 52 -12.526 15.691 -27.946 356 H ARG 53 HN ARG 53 -13.338 17.935 -31.239 357 HA ARG 53 HA ARG 53 -12.487 17.698 -33.300 358 HB2 ARG 53 HB2 ARG 53 -11.301 15.144 -32.219 359 HB3 ARG 53 HB1 ARG 53 -10.850 15.893 -33.756 360 HG2 ARG 53 HG2 ARG 53 -10.090 17.865 -32.484 361 HG3 ARG 53 HG1 ARG 53 -10.463 16.976 -30.993 362 HD2 ARG 53 HD2 ARG 53 -8.520 16.136 -33.134 363 HD3 ARG 53 HD1 ARG 53 -8.089 16.810 -31.556 364 HE ARG 53 HE ARG 53 -9.361 14.778 -30.702 365 HH11 ARG 53 HH11 ARG 53 -7.379 14.807 -33.642 366 HH12 ARG 53 HH12 ARG 53 -6.937 13.172 -33.557 367 HH21 ARG 53 HH21 ARG 53 -8.707 12.445 -30.572 368 HH22 ARG 53 HH22 ARG 53 -7.709 11.832 -31.778 369 H GLY 54 HN GLY 54 -15.003 16.592 -32.582 370 HA2 GLY 54 HA2 GLY 54 -16.759 15.578 -33.730 371 HA3 GLY 54 HA1 GLY 54 -15.599 15.118 -34.985 372 H HIS 55 HN HIS 55 -14.381 14.149 -32.060 373 HA HIS 55 HA HIS 55 -15.235 11.412 -32.566 374 HB2 HIS 55 HB2 HIS 55 -12.952 12.519 -30.914 375 HB3 HIS 55 HB1 HIS 55 -13.376 10.807 -30.998 376 HD1 HIS 55 HD1 HIS 55 -12.159 9.503 -32.788 377 HD2 HIS 55 HD2 HIS 55 -12.060 13.599 -33.465 378 HE1 HIS 55 HE1 HIS 55 -10.537 9.875 -34.690 379 H GLU 56 HN GLU 56 -16.446 10.376 -31.178 380 HA GLU 56 HA GLU 56 -17.387 11.800 -28.801 381 HB2 GLU 56 HB2 GLU 56 -18.455 9.393 -30.267 382 HB3 GLU 56 HB1 GLU 56 -19.223 10.192 -28.891 383 HG2 GLU 56 HG2 GLU 56 -19.706 12.105 -30.145 384 HG3 GLU 56 HG1 GLU 56 -18.630 11.611 -31.456 385 H PHE 57 HN PHE 57 -16.328 11.182 -27.023 386 HA PHE 57 HA PHE 57 -15.145 8.510 -26.840 387 HB2 PHE 57 HB2 PHE 57 -14.676 10.959 -25.135 388 HB3 PHE 57 HB1 PHE 57 -13.760 9.453 -25.119 389 HD1 PHE 57 HD1 PHE 57 -12.326 8.886 -27.069 390 HD2 PHE 57 HD2 PHE 57 -14.190 12.683 -26.641 391 HE1 PHE 57 HE1 PHE 57 -10.775 9.833 -28.716 392 HE2 PHE 57 HE2 PHE 57 -12.644 13.636 -28.286 393 HZ PHE 57 HZ PHE 57 -10.933 12.217 -29.327 394 H GLU 58 HN GLU 58 -16.525 7.146 -25.786 395 HA GLU 58 HA GLU 58 -18.316 8.236 -23.775 396 HB2 GLU 58 HB2 GLU 58 -19.040 6.473 -25.405 397 HB3 GLU 58 HB1 GLU 58 -17.893 5.364 -24.650 398 HG2 GLU 58 HG2 GLU 58 -20.145 4.934 -23.873 399 HG3 GLU 58 HG1 GLU 58 -19.147 5.534 -22.548 400 H VAL 59 HN VAL 59 -17.420 8.625 -21.907 401 HA VAL 59 HA VAL 59 -15.147 6.988 -21.058 402 HB VAL 59 HB VAL 59 -14.436 8.865 -19.677 403 HG11 VAL 59 HG11 VAL 59 -13.490 8.843 -21.857 404 HG12 VAL 59 HG12 VAL 59 -13.867 10.517 -21.461 405 HG13 VAL 59 HG13 VAL 59 -14.921 9.610 -22.544 406 HG21 VAL 59 HG21 VAL 59 -16.577 9.889 -19.134 407 HG22 VAL 59 HG22 VAL 59 -16.779 10.397 -20.809 408 HG23 VAL 59 HG23 VAL 59 -15.491 11.092 -19.831 409 H GLU 60 HN GLU 60 -15.202 6.046 -19.062 410 HA GLU 60 HA GLU 60 -17.676 6.409 -17.555 411 HB2 GLU 60 HB2 GLU 60 -17.264 4.091 -18.276 412 HB3 GLU 60 HB1 GLU 60 -15.672 4.150 -17.520 413 HG2 GLU 60 HG2 GLU 60 -16.662 4.328 -15.333 414 HG3 GLU 60 HG1 GLU 60 -18.274 4.428 -16.034 415 H ALA 61 HN ALA 61 -17.452 7.814 -15.972 416 HA ALA 61 HA ALA 61 -14.835 8.138 -14.737 417 HB1 ALA 61 HB1 ALA 61 -17.433 9.592 -14.158 418 HB2 ALA 61 HB2 ALA 61 -16.153 10.173 -15.221 419 HB3 ALA 61 HB3 ALA 61 -15.852 10.001 -13.494 420 H LYS 62 HN LYS 62 -14.617 6.162 -13.771 421 HA LYS 62 HA LYS 62 -16.727 5.112 -12.146 422 HB2 LYS 62 HB2 LYS 62 -15.272 3.157 -11.845 423 HB3 LYS 62 HB1 LYS 62 -15.598 3.566 -13.522 424 HG2 LYS 62 HG2 LYS 62 -13.441 4.616 -13.697 425 HG3 LYS 62 HG1 LYS 62 -13.075 4.217 -12.010 426 HD2 LYS 62 HD2 LYS 62 -11.995 2.582 -13.452 427 HD3 LYS 62 HD1 LYS 62 -13.311 1.805 -12.578 428 HE2 LYS 62 HE2 LYS 62 -14.754 2.040 -14.563 429 HE3 LYS 62 HE1 LYS 62 -13.420 2.792 -15.433 430 HZ1 LYS 62 HZ1 LYS 62 -13.439 0.030 -14.350 431 HZ2 LYS 62 HZ2 LYS 62 -12.184 0.714 -15.229 432 HZ3 LYS 62 HZ3 LYS 62 -13.670 0.435 -15.960 433 H ASP 63 HN ASP 63 -13.943 7.039 -11.435 434 HA ASP 63 HA ASP 63 -14.453 6.516 -8.642 435 HB2 ASP 63 HB2 ASP 63 -12.636 4.980 -9.210 436 HB3 ASP 63 HB1 ASP 63 -11.702 6.322 -9.866 437 H GLN 64 HN GLN 64 -13.930 8.207 -7.301 438 HA GLN 64 HA GLN 64 -14.099 10.742 -8.475 439 HB2 GLN 64 HB2 GLN 64 -13.907 11.616 -6.118 440 HB3 GLN 64 HB1 GLN 64 -15.233 10.523 -6.438 441 HG2 GLN 64 HG2 GLN 64 -14.399 9.968 -4.299 442 HG3 GLN 64 HG1 GLN 64 -13.835 8.710 -5.376 443 HE21 GLN 64 HE21 GLN 64 -12.293 11.880 -5.179 444 HE22 GLN 64 HE22 GLN 64 -10.860 11.323 -4.429 445 H ASN 65 HN ASN 65 -11.375 8.972 -8.325 446 HA ASN 65 HA ASN 65 -9.676 11.320 -7.994 447 HB2 ASN 65 HB2 ASN 65 -9.010 8.384 -8.351 448 HB3 ASN 65 HB1 ASN 65 -7.795 9.666 -8.315 449 HD21 ASN 65 HD21 ASN 65 -10.004 7.780 -6.498 450 HD22 ASN 65 HD22 ASN 65 -9.502 8.271 -4.915 451 H CYS 66 HN CYS 66 -11.603 10.391 -10.228 452 HA CYS 66 HA CYS 66 -11.866 10.702 -12.397 453 HB2 CYS 66 HB2 CYS 66 -9.378 12.363 -12.094 454 HB3 CYS 66 HB1 CYS 66 -10.363 12.314 -13.571 455 H LYS 67 HN LYS 67 -10.783 8.370 -11.690 456 HA LYS 67 HA LYS 67 -8.888 7.731 -13.790 457 HB2 LYS 67 HB2 LYS 67 -10.138 6.283 -11.595 458 HB3 LYS 67 HB1 LYS 67 -9.588 5.330 -13.000 459 HG2 LYS 67 HG2 LYS 67 -8.053 5.428 -10.961 460 HG3 LYS 67 HG1 LYS 67 -7.329 5.832 -12.510 461 HD2 LYS 67 HD2 LYS 67 -8.470 8.060 -11.037 462 HD3 LYS 67 HD1 LYS 67 -7.019 7.348 -10.251 463 HE2 LYS 67 HE2 LYS 67 -5.889 7.654 -12.450 464 HE3 LYS 67 HE1 LYS 67 -7.412 8.338 -13.026 465 HZ1 LYS 67 HZ1 LYS 67 -5.629 9.485 -10.935 466 HZ2 LYS 67 HZ2 LYS 67 -7.127 10.112 -11.305 467 HZ3 LYS 67 HZ3 LYS 67 -5.904 10.132 -12.470 468 H VAL 68 HN VAL 68 -9.585 8.271 -15.403 469 HA VAL 68 HA VAL 68 -12.218 7.533 -16.312 470 HB VAL 68 HB VAL 68 -11.670 9.818 -16.737 471 HG11 VAL 68 HG11 VAL 68 -9.223 8.880 -18.222 472 HG12 VAL 68 HG12 VAL 68 -9.251 9.734 -16.679 473 HG13 VAL 68 HG13 VAL 68 -9.800 10.546 -18.149 474 HG21 VAL 68 HG21 VAL 68 -11.944 9.959 -19.183 475 HG22 VAL 68 HG22 VAL 68 -12.972 8.737 -18.432 476 HG23 VAL 68 HG23 VAL 68 -11.517 8.248 -19.303 477 H ILE 69 HN ILE 69 -12.453 5.640 -17.088 478 HA ILE 69 HA ILE 69 -10.587 4.757 -19.142 479 HB ILE 69 HB ILE 69 -12.098 2.948 -17.201 480 HG12 ILE 69 HG12 ILE 69 -9.709 2.022 -16.865 481 HG13 ILE 69 HG11 ILE 69 -9.166 3.505 -17.610 482 HG21 ILE 69 HG21 ILE 69 -12.160 1.994 -19.443 483 HG22 ILE 69 HG22 ILE 69 -11.105 1.047 -18.391 484 HG23 ILE 69 HG23 ILE 69 -10.409 2.155 -19.573 485 HD11 ILE 69 HD11 ILE 69 -10.217 4.803 -15.824 486 HD12 ILE 69 HD12 ILE 69 -9.049 3.646 -15.187 487 HD13 ILE 69 HD13 ILE 69 -10.775 3.311 -15.069 488 H LEU 70 HN LEU 70 -11.535 4.394 -21.069 489 HA LEU 70 HA LEU 70 -14.293 5.121 -21.266 490 HB2 LEU 70 HB2 LEU 70 -12.197 4.505 -23.315 491 HB3 LEU 70 HB1 LEU 70 -13.854 4.839 -23.751 492 HG LEU 70 HG LEU 70 -13.595 7.110 -22.735 493 HD11 LEU 70 HD11 LEU 70 -11.736 6.726 -21.239 494 HD12 LEU 70 HD12 LEU 70 -11.354 8.018 -22.381 495 HD13 LEU 70 HD13 LEU 70 -10.673 6.410 -22.608 496 HD21 LEU 70 HD21 LEU 70 -13.455 6.864 -25.108 497 HD22 LEU 70 HD22 LEU 70 -11.754 6.405 -25.000 498 HD23 LEU 70 HD23 LEU 70 -12.250 8.041 -24.579 499 H THR 71 HN THR 71 -15.692 3.888 -22.581 500 HA THR 71 HA THR 71 -16.044 1.351 -21.403 501 HB THR 71 HB THR 71 -17.984 1.242 -23.031 502 HG1 THR 71 HG1 THR 71 -18.342 3.124 -24.205 503 HG21 THR 71 HG21 THR 71 -18.191 2.140 -20.733 504 HG22 THR 71 HG22 THR 71 -19.216 3.021 -21.864 505 HG23 THR 71 HG23 THR 71 -17.695 3.727 -21.316 506 H ASN 72 HN ASN 72 -14.507 2.341 -24.276 507 HA ASN 72 HA ASN 72 -14.643 -0.310 -25.462 508 HB2 ASN 72 HB2 ASN 72 -13.322 2.214 -26.479 509 HB3 ASN 72 HB1 ASN 72 -13.302 0.668 -27.337 510 HD21 ASN 72 HD21 ASN 72 -15.177 3.443 -26.498 511 HD22 ASN 72 HD22 ASN 72 -16.552 3.079 -27.455 512 H GLY 73 HN GLY 73 -12.925 0.900 -23.027 513 HA2 GLY 73 HA2 GLY 73 -11.243 -0.223 -21.930 514 HA3 GLY 73 HA1 GLY 73 -10.877 -1.098 -23.426 515 H LYS 74 HN LYS 74 -11.248 2.303 -23.584 516 HA LYS 74 HA LYS 74 -8.457 2.449 -24.201 517 HB2 LYS 74 HB2 LYS 74 -10.657 4.480 -24.656 518 HB3 LYS 74 HB1 LYS 74 -8.989 4.671 -25.159 519 HG2 LYS 74 HG2 LYS 74 -10.864 2.523 -26.142 520 HG3 LYS 74 HG1 LYS 74 -10.441 3.998 -27.009 521 HD2 LYS 74 HD2 LYS 74 -8.106 3.297 -27.114 522 HD3 LYS 74 HD1 LYS 74 -8.474 1.861 -26.165 523 HE2 LYS 74 HE2 LYS 74 -8.304 1.295 -28.515 524 HE3 LYS 74 HE1 LYS 74 -9.957 1.063 -27.952 525 HZ1 LYS 74 HZ1 LYS 74 -9.913 2.105 -30.094 526 HZ2 LYS 74 HZ2 LYS 74 -8.948 3.362 -29.552 527 HZ3 LYS 74 HZ3 LYS 74 -10.532 3.202 -28.984 528 H GLN 75 HN GLN 75 -7.086 3.797 -23.137 529 HA GLN 75 HA GLN 75 -7.929 4.463 -20.422 530 HB2 GLN 75 HB2 GLN 75 -5.184 4.173 -21.632 531 HB3 GLN 75 HB1 GLN 75 -5.484 4.561 -19.943 532 HG2 GLN 75 HG2 GLN 75 -6.644 2.415 -19.676 533 HG3 GLN 75 HG1 GLN 75 -6.310 2.038 -21.363 534 HE21 GLN 75 HE21 GLN 75 -3.609 3.219 -21.235 535 HE22 GLN 75 HE22 GLN 75 -2.665 2.093 -20.357 536 H ALA 76 HN ALA 76 -8.520 6.060 -22.691 537 HA ALA 76 HA ALA 76 -9.021 8.201 -23.094 538 HB1 ALA 76 HB1 ALA 76 -9.264 8.463 -20.679 539 HB2 ALA 76 HB2 ALA 76 -8.690 9.947 -21.440 540 HB3 ALA 76 HB3 ALA 76 -7.563 8.919 -20.555 541 HA PRO 77 HA PRO 77 -5.836 9.933 -25.718 542 HB2 PRO 77 HB2 PRO 77 -7.384 12.398 -25.104 543 HB3 PRO 77 HB1 PRO 77 -6.902 11.750 -26.687 544 HG2 PRO 77 HG2 PRO 77 -9.393 11.550 -25.929 545 HG3 PRO 77 HG1 PRO 77 -8.580 10.181 -26.730 546 HD2 PRO 77 HD2 PRO 77 -9.278 10.525 -23.864 547 HD3 PRO 77 HD1 PRO 77 -9.276 9.065 -24.886 548 H ASP 78 HN ASP 78 -4.030 11.166 -25.450 549 HA ASP 78 HA ASP 78 -3.205 11.590 -22.777 550 HB2 ASP 78 HB2 ASP 78 -1.806 12.465 -25.308 551 HB3 ASP 78 HB1 ASP 78 -1.083 12.317 -23.711 552 H TRP 79 HN TRP 79 -4.479 13.589 -25.228 553 HA TRP 79 HA TRP 79 -3.792 16.060 -23.926 554 HB2 TRP 79 HB2 TRP 79 -5.154 17.072 -25.816 555 HB3 TRP 79 HB1 TRP 79 -3.776 16.087 -26.310 556 HD1 TRP 79 HD1 TRP 79 -4.237 14.050 -27.711 557 HE1 TRP 79 HE1 TRP 79 -6.304 13.074 -28.899 558 HE3 TRP 79 HE3 TRP 79 -7.814 16.838 -25.432 559 HZ2 TRP 79 HZ2 TRP 79 -9.100 13.448 -28.845 560 HZ3 TRP 79 HZ3 TRP 79 -10.171 16.466 -26.037 561 HH2 TRP 79 HH2 TRP 79 -10.788 14.803 -27.717 562 H LEU 80 HN LEU 80 -6.138 13.749 -23.467 563 HA LEU 80 HA LEU 80 -8.206 15.628 -22.726 564 HB2 LEU 80 HB2 LEU 80 -8.834 13.517 -23.848 565 HB3 LEU 80 HB1 LEU 80 -8.115 12.607 -22.520 566 HG LEU 80 HG LEU 80 -9.799 13.573 -21.002 567 HD11 LEU 80 HD11 LEU 80 -11.776 14.688 -21.969 568 HD12 LEU 80 HD12 LEU 80 -10.962 14.734 -23.531 569 HD13 LEU 80 HD13 LEU 80 -10.301 15.630 -22.160 570 HD21 LEU 80 HD21 LEU 80 -10.922 12.136 -23.407 571 HD22 LEU 80 HD22 LEU 80 -11.709 12.266 -21.835 572 HD23 LEU 80 HD23 LEU 80 -10.193 11.384 -21.985 573 H ALA 81 HN ALA 81 -7.863 16.613 -20.902 574 HA ALA 81 HA ALA 81 -6.402 15.237 -18.777 575 HB1 ALA 81 HB1 ALA 81 -5.962 17.479 -17.897 576 HB2 ALA 81 HB2 ALA 81 -6.910 18.181 -19.210 577 HB3 ALA 81 HB3 ALA 81 -5.406 17.339 -19.566 578 H ALA 82 HN ALA 82 -7.251 15.227 -16.735 579 HA ALA 82 HA ALA 82 -9.979 16.193 -16.413 580 HB1 ALA 82 HB1 ALA 82 -10.175 13.847 -17.096 581 HB2 ALA 82 HB2 ALA 82 -10.689 14.076 -15.425 582 HB3 ALA 82 HB3 ALA 82 -9.108 13.369 -15.775 583 H GLU 83 HN GLU 83 -10.400 16.892 -14.423 584 HA GLU 83 HA GLU 83 -8.605 16.171 -12.288 585 HB2 GLU 83 HB2 GLU 83 -8.505 18.551 -11.501 586 HB3 GLU 83 HB1 GLU 83 -7.646 18.247 -13.000 587 HG2 GLU 83 HG2 GLU 83 -9.622 19.144 -14.207 588 HG3 GLU 83 HG1 GLU 83 -10.291 19.614 -12.645 589 HA PRO 84 HA PRO 84 -12.300 15.330 -10.218 590 HB2 PRO 84 HB2 PRO 84 -11.449 15.527 -7.632 591 HB3 PRO 84 HB1 PRO 84 -10.962 14.200 -8.704 592 HG2 PRO 84 HG2 PRO 84 -9.498 16.711 -8.068 593 HG3 PRO 84 HG1 PRO 84 -8.911 15.030 -8.048 594 HD2 PRO 84 HD2 PRO 84 -8.382 16.512 -10.158 595 HD3 PRO 84 HD1 PRO 84 -8.964 14.826 -10.306 596 H TYR 85 HN TYR 85 -14.074 16.409 -9.712 597 HA TYR 85 HA TYR 85 -13.750 19.118 -8.835 598 HB2 TYR 85 HB2 TYR 85 -15.019 18.918 -10.898 599 HB3 TYR 85 HB1 TYR 85 -16.097 17.736 -10.138 600 HD1 TYR 85 HD2 TYR 85 -15.093 21.315 -10.119 601 HD2 TYR 85 HD1 TYR 85 -17.983 18.438 -8.949 602 HE1 TYR 85 HE2 TYR 85 -16.621 23.126 -9.435 603 HE2 TYR 85 HE1 TYR 85 -19.514 20.222 -8.279 604 HH TYR 85 HH TYR 85 -19.270 22.595 -7.512 Start of MODEL 9 1 H SER 7 HT1 SER 7 -25.132 1.010 18.415 2 HA SER 7 HA SER 7 -23.983 -1.108 16.745 3 HB2 SER 7 HB2 SER 7 -26.426 0.611 16.288 4 HB3 SER 7 HB1 SER 7 -25.814 -0.665 15.225 5 HG SER 7 HG SER 7 -26.808 -2.032 16.353 6 H GLY 8 HN GLY 8 -23.962 2.318 17.554 7 HA2 GLY 8 HA2 GLY 8 -22.793 2.909 14.931 8 HA3 GLY 8 HA1 GLY 8 -23.560 4.078 15.983 9 H ARG 9 HN ARG 9 -21.495 1.910 17.634 10 HA ARG 9 HA ARG 9 -19.527 4.042 17.746 11 HB2 ARG 9 HB2 ARG 9 -20.146 1.896 19.737 12 HB3 ARG 9 HB1 ARG 9 -18.663 2.827 19.803 13 HG2 ARG 9 HG2 ARG 9 -20.004 4.893 19.997 14 HG3 ARG 9 HG1 ARG 9 -21.465 3.902 20.035 15 HD2 ARG 9 HD2 ARG 9 -20.664 2.773 22.030 16 HD3 ARG 9 HD1 ARG 9 -19.173 3.699 21.977 17 HE ARG 9 HE ARG 9 -21.449 5.381 22.058 18 HH11 ARG 9 HH11 ARG 9 -19.431 3.346 24.091 19 HH12 ARG 9 HH12 ARG 9 -19.687 4.202 25.529 20 HH21 ARG 9 HH21 ARG 9 -21.831 6.613 24.004 21 HH22 ARG 9 HH22 ARG 9 -21.103 6.152 25.473 22 H GLU 10 HN GLU 10 -18.682 3.505 15.882 23 HA GLU 10 HA GLU 10 -17.256 2.697 14.457 24 HB2 GLU 10 HB2 GLU 10 -15.589 2.308 16.912 25 HB3 GLU 10 HB1 GLU 10 -15.101 2.530 15.226 26 HG2 GLU 10 HG2 GLU 10 -16.049 4.728 15.168 27 HG3 GLU 10 HG1 GLU 10 -16.593 4.557 16.834 28 H ASN 11 HN ASN 11 -18.086 0.931 13.549 29 HA ASN 11 HA ASN 11 -17.107 -1.654 14.578 30 HB2 ASN 11 HB2 ASN 11 -19.790 -1.095 13.299 31 HB3 ASN 11 HB1 ASN 11 -19.157 -2.692 13.650 32 HD21 ASN 11 HD21 ASN 11 -18.015 -1.812 16.237 33 HD22 ASN 11 HD22 ASN 11 -19.341 -1.652 17.309 34 H LEU 12 HN LEU 12 -16.601 0.492 12.269 35 HA LEU 12 HA LEU 12 -16.735 -1.411 10.086 36 HB2 LEU 12 HB2 LEU 12 -16.368 1.584 10.027 37 HB3 LEU 12 HB1 LEU 12 -16.155 0.573 8.626 38 HG LEU 12 HG LEU 12 -18.557 -0.098 8.801 39 HD11 LEU 12 HD11 LEU 12 -18.681 2.054 10.894 40 HD12 LEU 12 HD12 LEU 12 -18.964 0.331 11.148 41 HD13 LEU 12 HD13 LEU 12 -20.075 1.272 10.147 42 HD21 LEU 12 HD21 LEU 12 -17.869 1.618 7.254 43 HD22 LEU 12 HD22 LEU 12 -17.974 2.839 8.519 44 HD23 LEU 12 HD23 LEU 12 -19.435 2.034 7.955 45 H TYR 13 HN TYR 13 -15.022 -2.368 9.379 46 HA TYR 13 HA TYR 13 -12.440 -1.563 10.375 47 HB2 TYR 13 HB2 TYR 13 -13.330 -3.927 8.727 48 HB3 TYR 13 HB1 TYR 13 -11.639 -3.605 9.080 49 HD1 TYR 13 HD2 TYR 13 -14.874 -4.645 10.502 50 HD2 TYR 13 HD1 TYR 13 -10.745 -3.989 11.287 51 HE1 TYR 13 HE2 TYR 13 -15.080 -5.874 12.625 52 HE2 TYR 13 HE1 TYR 13 -10.948 -5.217 13.403 53 HH TYR 13 HH TYR 13 -12.692 -5.793 15.010 54 H PHE 14 HN PHE 14 -12.206 0.352 9.402 55 HA PHE 14 HA PHE 14 -11.213 0.325 6.692 56 HB2 PHE 14 HB2 PHE 14 -13.730 0.807 6.615 57 HB3 PHE 14 HB1 PHE 14 -13.405 2.237 7.577 58 HD1 PHE 14 HD1 PHE 14 -12.752 0.620 4.324 59 HD2 PHE 14 HD2 PHE 14 -12.713 4.242 6.545 60 HE1 PHE 14 HE1 PHE 14 -12.414 1.887 2.243 61 HE2 PHE 14 HE2 PHE 14 -12.370 5.517 4.475 62 HZ PHE 14 HZ PHE 14 -12.220 4.343 2.318 63 H GLN 15 HN GLN 15 -9.785 2.190 6.460 64 HA GLN 15 HA GLN 15 -8.928 3.108 9.054 65 HB2 GLN 15 HB2 GLN 15 -7.242 2.154 7.495 66 HB3 GLN 15 HB1 GLN 15 -7.558 3.479 6.383 67 HG2 GLN 15 HG2 GLN 15 -6.758 5.074 7.977 68 HG3 GLN 15 HG1 GLN 15 -6.555 3.821 9.197 69 HE21 GLN 15 HE21 GLN 15 -4.621 5.643 8.083 70 HE22 GLN 15 HE22 GLN 15 -3.358 4.659 7.423 71 H GLY 16 HN GLY 16 -10.596 4.295 9.391 72 HA2 GLY 16 HA2 GLY 16 -11.104 6.596 9.861 73 HA3 GLY 16 HA1 GLY 16 -10.467 7.007 8.264 74 H HIS 17 HN HIS 17 -12.229 7.920 7.372 75 HA HIS 17 HA HIS 17 -14.143 6.181 6.267 76 HB2 HIS 17 HB2 HIS 17 -15.217 6.437 8.497 77 HB3 HIS 17 HB1 HIS 17 -15.173 8.186 8.306 78 HD1 HIS 17 HD1 HIS 17 -16.888 5.129 6.787 79 HD2 HIS 17 HD2 HIS 17 -17.285 9.261 6.997 80 HE1 HIS 17 HE1 HIS 17 -19.112 5.670 5.758 81 H MET 18 HN MET 18 -14.491 6.967 4.353 82 HA MET 18 HA MET 18 -14.307 9.861 3.923 83 HB2 MET 18 HB2 MET 18 -12.151 8.699 3.256 84 HB3 MET 18 HB1 MET 18 -13.108 7.752 2.123 85 HG2 MET 18 HG2 MET 18 -13.727 9.725 0.907 86 HG3 MET 18 HG1 MET 18 -12.809 10.728 2.032 87 HE1 MET 18 HE1 MET 18 -9.128 9.683 1.334 88 HE2 MET 18 HE2 MET 18 -10.181 8.971 2.550 89 HE3 MET 18 HE3 MET 18 -10.215 10.712 2.269 90 H ALA 19 HN ALA 19 -16.145 10.488 2.953 91 HA ALA 19 HA ALA 19 -17.852 8.441 1.902 92 HB1 ALA 19 HB1 ALA 19 -18.424 11.357 2.431 93 HB2 ALA 19 HB2 ALA 19 -18.803 10.016 3.511 94 HB3 ALA 19 HB3 ALA 19 -19.616 10.150 1.950 95 H ALA 20 HN ALA 20 -15.543 9.670 0.680 96 HA ALA 20 HA ALA 20 -14.641 10.136 -1.320 97 HB1 ALA 20 HB1 ALA 20 -17.316 9.398 -2.520 98 HB2 ALA 20 HB2 ALA 20 -16.017 8.269 -2.137 99 HB3 ALA 20 HB3 ALA 20 -15.777 9.498 -3.382 100 HA PRO 21 HA PRO 21 -16.050 14.450 -1.264 101 HB2 PRO 21 HB2 PRO 21 -13.335 14.871 -2.322 102 HB3 PRO 21 HB1 PRO 21 -14.088 15.559 -0.859 103 HG2 PRO 21 HG2 PRO 21 -12.181 13.730 -0.683 104 HG3 PRO 21 HG1 PRO 21 -13.557 13.749 0.438 105 HD2 PRO 21 HD2 PRO 21 -13.086 11.972 -1.909 106 HD3 PRO 21 HD1 PRO 21 -13.737 11.606 -0.298 107 H ALA 22 HN ALA 22 -13.760 13.611 -3.904 108 HA ALA 22 HA ALA 22 -15.124 15.332 -5.726 109 HB1 ALA 22 HB1 ALA 22 -12.701 14.943 -5.880 110 HB2 ALA 22 HB2 ALA 22 -13.527 14.546 -7.386 111 HB3 ALA 22 HB3 ALA 22 -13.010 13.257 -6.302 112 H ARG 23 HN ARG 23 -16.931 14.922 -6.667 113 HA ARG 23 HA ARG 23 -17.548 12.144 -7.375 114 HB2 ARG 23 HB2 ARG 23 -19.442 14.271 -6.382 115 HB3 ARG 23 HB1 ARG 23 -19.956 12.712 -7.016 116 HG2 ARG 23 HG2 ARG 23 -18.696 11.580 -5.245 117 HG3 ARG 23 HG1 ARG 23 -18.204 13.145 -4.607 118 HD2 ARG 23 HD2 ARG 23 -20.501 13.702 -4.122 119 HD3 ARG 23 HD1 ARG 23 -21.056 12.202 -4.863 120 HE ARG 23 HE ARG 23 -19.173 11.992 -2.668 121 HH11 ARG 23 HH11 ARG 23 -22.539 11.731 -3.728 122 HH12 ARG 23 HH12 ARG 23 -23.049 10.850 -2.355 123 HH21 ARG 23 HH21 ARG 23 -19.902 10.781 -0.797 124 HH22 ARG 23 HH22 ARG 23 -21.534 10.305 -0.665 125 H PHE 24 HN PHE 24 -16.627 14.894 -8.732 126 HA PHE 24 HA PHE 24 -17.925 14.198 -11.236 127 HB2 PHE 24 HB2 PHE 24 -17.569 17.087 -10.346 128 HB3 PHE 24 HB1 PHE 24 -18.170 16.515 -11.889 129 HD1 PHE 24 HD1 PHE 24 -18.971 16.768 -8.291 130 HD2 PHE 24 HD2 PHE 24 -20.421 16.040 -12.222 131 HE1 PHE 24 HE1 PHE 24 -21.277 16.943 -7.464 132 HE2 PHE 24 HE2 PHE 24 -22.723 16.211 -11.406 133 HZ PHE 24 HZ PHE 24 -23.159 16.658 -9.022 134 H CYS 25 HN CYS 25 -16.617 14.755 -13.012 135 HA CYS 25 HA CYS 25 -13.879 15.570 -12.376 136 HB2 CYS 25 HB2 CYS 25 -14.868 13.574 -14.410 137 HB3 CYS 25 HB1 CYS 25 -13.193 14.107 -14.213 138 H VAL 26 HN VAL 26 -12.989 17.013 -13.798 139 HA VAL 26 HA VAL 26 -14.799 18.199 -15.822 140 HB VAL 26 HB VAL 26 -12.208 19.394 -14.910 141 HG11 VAL 26 HG11 VAL 26 -13.294 21.490 -15.502 142 HG12 VAL 26 HG12 VAL 26 -14.747 20.599 -15.946 143 HG13 VAL 26 HG13 VAL 26 -13.245 20.345 -16.838 144 HG21 VAL 26 HG21 VAL 26 -13.353 19.011 -12.848 145 HG22 VAL 26 HG22 VAL 26 -14.837 19.730 -13.483 146 HG23 VAL 26 HG23 VAL 26 -13.409 20.736 -13.218 147 H TYR 27 HN TYR 27 -14.334 17.801 -17.865 148 HA TYR 27 HA TYR 27 -11.702 16.674 -18.519 149 HB2 TYR 27 HB2 TYR 27 -14.306 16.654 -20.064 150 HB3 TYR 27 HB1 TYR 27 -12.752 16.100 -20.693 151 HD1 TYR 27 HD2 TYR 27 -14.931 15.528 -17.695 152 HD2 TYR 27 HD1 TYR 27 -12.313 13.855 -20.595 153 HE1 TYR 27 HE2 TYR 27 -15.296 13.301 -16.735 154 HE2 TYR 27 HE1 TYR 27 -12.679 11.625 -19.639 155 HH TYR 27 HH TYR 27 -15.158 10.936 -17.487 156 H TYR 28 HN TYR 28 -10.368 17.565 -19.832 157 HA TYR 28 HA TYR 28 -11.116 20.073 -21.146 158 HB2 TYR 28 HB2 TYR 28 -8.548 19.517 -19.676 159 HB3 TYR 28 HB1 TYR 28 -8.850 20.933 -20.687 160 HD1 TYR 28 HD1 TYR 28 -9.410 19.287 -17.484 161 HD2 TYR 28 HD2 TYR 28 -10.257 22.718 -19.837 162 HE1 TYR 28 HE1 TYR 28 -10.136 20.483 -15.474 163 HE2 TYR 28 HE2 TYR 28 -10.997 23.918 -17.828 164 HH TYR 28 HH TYR 28 -10.398 22.672 -14.710 165 H ASP 29 HN ASP 29 -10.155 20.417 -23.024 166 HA ASP 29 HA ASP 29 -8.842 18.224 -24.415 167 HB2 ASP 29 HB2 ASP 29 -10.594 19.477 -25.599 168 HB3 ASP 29 HB1 ASP 29 -9.715 20.981 -25.294 169 H GLY 30 HN GLY 30 -6.785 18.092 -23.827 170 HA2 GLY 30 HA2 GLY 30 -4.635 18.981 -24.487 171 HA3 GLY 30 HA1 GLY 30 -5.142 20.542 -23.831 172 H HIS 31 HN HIS 31 -2.957 18.822 -23.192 173 HA HIS 31 HA HIS 31 -3.570 18.185 -20.378 174 HB2 HIS 31 HB2 HIS 31 -1.728 16.553 -20.404 175 HB3 HIS 31 HB1 HIS 31 -2.904 16.189 -21.671 176 HD1 HIS 31 HD1 HIS 31 0.598 16.229 -21.139 177 HD2 HIS 31 HD2 HIS 31 -1.842 17.372 -24.290 178 HE1 HIS 31 HE1 HIS 31 2.058 16.219 -23.183 179 H LEU 32 HN LEU 32 -2.655 20.578 -21.935 180 HA LEU 32 HA LEU 32 -0.359 21.302 -20.265 181 HB2 LEU 32 HB2 LEU 32 0.042 21.186 -22.747 182 HB3 LEU 32 HB1 LEU 32 -1.182 22.419 -22.951 183 HG LEU 32 HG LEU 32 0.220 23.923 -21.547 184 HD11 LEU 32 HD11 LEU 32 2.266 21.754 -21.966 185 HD12 LEU 32 HD12 LEU 32 1.555 22.206 -20.421 186 HD13 LEU 32 HD13 LEU 32 2.588 23.347 -21.286 187 HD21 LEU 32 HD21 LEU 32 1.823 24.418 -23.336 188 HD22 LEU 32 HD22 LEU 32 0.200 24.131 -23.962 189 HD23 LEU 32 HD23 LEU 32 1.435 22.876 -24.097 190 HA PRO 33 HA PRO 33 -3.584 23.751 -18.407 191 HB2 PRO 33 HB2 PRO 33 -1.934 25.424 -16.931 192 HB3 PRO 33 HB1 PRO 33 -2.480 23.817 -16.415 193 HG2 PRO 33 HG2 PRO 33 0.119 24.633 -17.529 194 HG3 PRO 33 HG1 PRO 33 -0.269 23.359 -16.368 195 HD2 PRO 33 HD2 PRO 33 0.333 22.864 -18.961 196 HD3 PRO 33 HD1 PRO 33 -0.708 21.806 -17.979 197 H ALA 34 HN ALA 34 -1.085 25.179 -20.314 198 HA ALA 34 HA ALA 34 -2.216 27.803 -20.341 199 HB1 ALA 34 HB1 ALA 34 0.133 27.471 -20.901 200 HB2 ALA 34 HB2 ALA 34 -0.723 28.254 -22.228 201 HB3 ALA 34 HB3 ALA 34 -0.331 26.538 -22.324 202 H THR 35 HN THR 35 -2.793 24.909 -22.273 203 HA THR 35 HA THR 35 -4.634 26.522 -23.902 204 HB THR 35 HB THR 35 -2.633 26.057 -25.159 205 HG1 THR 35 HG1 THR 35 -4.977 24.691 -25.928 206 HG21 THR 35 HG21 THR 35 -2.048 23.747 -25.868 207 HG22 THR 35 HG22 THR 35 -3.289 23.129 -24.777 208 HG23 THR 35 HG23 THR 35 -1.893 23.992 -24.127 209 H ARG 36 HN ARG 36 -4.993 24.727 -21.579 210 HA ARG 36 HA ARG 36 -6.363 22.452 -22.656 211 HB2 ARG 36 HB2 ARG 36 -6.681 21.714 -20.450 212 HB3 ARG 36 HB1 ARG 36 -5.267 22.708 -20.285 213 HG2 ARG 36 HG2 ARG 36 -8.054 23.653 -19.619 214 HG3 ARG 36 HG1 ARG 36 -6.902 23.030 -18.444 215 HD2 ARG 36 HD2 ARG 36 -5.565 24.917 -18.582 216 HD3 ARG 36 HD1 ARG 36 -6.129 25.312 -20.208 217 HE ARG 36 HE ARG 36 -8.336 25.568 -18.742 218 HH11 ARG 36 HH11 ARG 36 -5.109 26.975 -18.351 219 HH12 ARG 36 HH12 ARG 36 -5.671 28.433 -17.692 220 HH21 ARG 36 HH21 ARG 36 -9.104 27.568 -17.887 221 HH22 ARG 36 HH22 ARG 36 -8.036 28.791 -17.395 222 H VAL 37 HN VAL 37 -8.345 22.469 -23.447 223 HA VAL 37 HA VAL 37 -9.963 24.875 -22.996 224 HB VAL 37 HB VAL 37 -10.431 22.711 -25.073 225 HG11 VAL 37 HG11 VAL 37 -12.448 23.938 -24.522 226 HG12 VAL 37 HG12 VAL 37 -11.896 24.337 -26.150 227 HG13 VAL 37 HG13 VAL 37 -11.619 25.465 -24.824 228 HG21 VAL 37 HG21 VAL 37 -9.503 24.284 -26.705 229 HG22 VAL 37 HG22 VAL 37 -8.304 23.835 -25.491 230 HG23 VAL 37 HG23 VAL 37 -9.104 25.403 -25.402 231 H LEU 38 HN LEU 38 -11.694 24.807 -21.761 232 HA LEU 38 HA LEU 38 -12.370 22.550 -20.242 233 HB2 LEU 38 HB2 LEU 38 -12.752 24.863 -19.488 234 HB3 LEU 38 HB1 LEU 38 -13.865 25.140 -20.793 235 HG LEU 38 HG LEU 38 -14.885 24.944 -18.509 236 HD11 LEU 38 HD11 LEU 38 -16.790 23.556 -19.132 237 HD12 LEU 38 HD12 LEU 38 -15.884 22.952 -20.520 238 HD13 LEU 38 HD13 LEU 38 -16.311 24.659 -20.420 239 HD21 LEU 38 HD21 LEU 38 -15.194 22.731 -17.546 240 HD22 LEU 38 HD22 LEU 38 -13.490 23.184 -17.621 241 HD23 LEU 38 HD23 LEU 38 -14.157 22.048 -18.795 242 H LEU 39 HN LEU 39 -13.545 20.802 -20.859 243 HA LEU 39 HA LEU 39 -15.190 21.090 -23.248 244 HB2 LEU 39 HB2 LEU 39 -14.090 18.626 -21.920 245 HB3 LEU 39 HB1 LEU 39 -15.164 18.601 -23.302 246 HG LEU 39 HG LEU 39 -12.379 19.774 -23.259 247 HD11 LEU 39 HD11 LEU 39 -11.823 17.894 -24.715 248 HD12 LEU 39 HD12 LEU 39 -13.460 17.266 -24.527 249 HD13 LEU 39 HD13 LEU 39 -12.381 17.351 -23.134 250 HD21 LEU 39 HD21 LEU 39 -14.357 19.461 -25.526 251 HD22 LEU 39 HD22 LEU 39 -12.678 19.960 -25.702 252 HD23 LEU 39 HD23 LEU 39 -13.808 20.984 -24.821 253 H MET 40 HN MET 40 -15.398 19.299 -20.094 254 HA MET 40 HA MET 40 -18.047 20.126 -19.550 255 HB2 MET 40 HB2 MET 40 -19.258 18.062 -20.060 256 HB3 MET 40 HB1 MET 40 -18.664 18.856 -21.525 257 HG2 MET 40 HG2 MET 40 -16.794 17.286 -21.589 258 HG3 MET 40 HG1 MET 40 -17.449 16.538 -20.128 259 HE1 MET 40 HE1 MET 40 -19.585 15.020 -20.070 260 HE2 MET 40 HE2 MET 40 -20.719 14.849 -21.409 261 HE3 MET 40 HE3 MET 40 -20.546 16.403 -20.596 262 H TYR 41 HN TYR 41 -19.066 18.917 -17.946 263 HA TYR 41 HA TYR 41 -17.167 17.754 -16.013 264 HB2 TYR 41 HB2 TYR 41 -19.943 18.902 -15.639 265 HB3 TYR 41 HB1 TYR 41 -18.874 18.313 -14.360 266 HD1 TYR 41 HD2 TYR 41 -19.439 21.001 -16.826 267 HD2 TYR 41 HD1 TYR 41 -17.137 19.720 -13.493 268 HE1 TYR 41 HE2 TYR 41 -18.552 23.273 -16.581 269 HE2 TYR 41 HE1 TYR 41 -16.245 21.996 -13.236 270 HH TYR 41 HH TYR 41 -17.602 24.645 -14.842 271 H VAL 42 HN VAL 42 -17.689 15.811 -15.051 272 HA VAL 42 HA VAL 42 -20.024 14.340 -16.081 273 HB VAL 42 HB VAL 42 -17.186 13.233 -16.061 274 HG11 VAL 42 HG11 VAL 42 -18.134 11.177 -17.016 275 HG12 VAL 42 HG12 VAL 42 -19.756 11.840 -16.820 276 HG13 VAL 42 HG13 VAL 42 -18.768 11.502 -15.403 277 HG21 VAL 42 HG21 VAL 42 -17.461 12.993 -18.483 278 HG22 VAL 42 HG22 VAL 42 -17.614 14.680 -17.980 279 HG23 VAL 42 HG23 VAL 42 -19.054 13.739 -18.370 280 H ARG 43 HN ARG 43 -20.944 13.024 -14.605 281 HA ARG 43 HA ARG 43 -20.214 13.281 -11.846 282 HB2 ARG 43 HB2 ARG 43 -22.554 13.293 -12.734 283 HB3 ARG 43 HB1 ARG 43 -22.344 11.617 -13.195 284 HG2 ARG 43 HG2 ARG 43 -23.603 11.707 -11.163 285 HG3 ARG 43 HG1 ARG 43 -21.993 11.072 -10.793 286 HD2 ARG 43 HD2 ARG 43 -21.290 13.122 -9.869 287 HD3 ARG 43 HD1 ARG 43 -22.680 13.982 -10.528 288 HE ARG 43 HE ARG 43 -22.590 12.282 -8.176 289 HH11 ARG 43 HH11 ARG 43 -24.611 14.146 -10.442 290 HH12 ARG 43 HH12 ARG 43 -25.866 14.399 -9.335 291 HH21 ARG 43 HH21 ARG 43 -24.362 12.759 -6.593 292 HH22 ARG 43 HH22 ARG 43 -25.694 13.650 -7.116 293 H ILE 44 HN ILE 44 -18.989 11.850 -10.795 294 HA ILE 44 HA ILE 44 -17.917 9.574 -12.086 295 HB ILE 44 HB ILE 44 -17.859 10.326 -9.142 296 HG12 ILE 44 HG12 ILE 44 -15.852 10.693 -11.376 297 HG13 ILE 44 HG11 ILE 44 -16.801 11.960 -10.619 298 HG21 ILE 44 HG21 ILE 44 -16.224 8.255 -10.633 299 HG22 ILE 44 HG22 ILE 44 -17.471 7.911 -9.436 300 HG23 ILE 44 HG23 ILE 44 -15.986 8.731 -8.953 301 HD11 ILE 44 HD11 ILE 44 -14.694 10.284 -9.340 302 HD12 ILE 44 HD12 ILE 44 -15.635 11.528 -8.505 303 HD13 ILE 44 HD13 ILE 44 -14.527 11.975 -9.811 304 H GLY 45 HN GLY 45 -18.661 7.585 -12.249 305 HA2 GLY 45 HA2 GLY 45 -19.923 5.755 -11.405 306 HA3 GLY 45 HA1 GLY 45 -21.018 6.906 -10.645 307 H THR 46 HN THR 46 -20.480 8.404 -13.444 308 HA THR 46 HA THR 46 -22.509 6.840 -14.907 309 HB THR 46 HB THR 46 -23.336 8.939 -15.893 310 HG1 THR 46 HG1 THR 46 -21.239 10.059 -14.409 311 HG21 THR 46 HG21 THR 46 -23.345 9.021 -12.874 312 HG22 THR 46 HG22 THR 46 -24.467 8.118 -13.890 313 HG23 THR 46 HG23 THR 46 -24.473 9.880 -13.924 314 H THR 47 HN THR 47 -22.465 7.075 -17.153 315 HA THR 47 HA THR 47 -19.775 7.455 -18.187 316 HB THR 47 HB THR 47 -20.682 6.454 -20.233 317 HG1 THR 47 HG1 THR 47 -22.793 5.208 -18.957 318 HG21 THR 47 HG21 THR 47 -20.738 4.110 -19.393 319 HG22 THR 47 HG22 THR 47 -20.885 4.748 -17.750 320 HG23 THR 47 HG23 THR 47 -19.442 5.085 -18.704 321 H ALA 48 HN ALA 48 -19.535 8.661 -20.027 322 HA ALA 48 HA ALA 48 -21.703 10.369 -20.922 323 HB1 ALA 48 HB1 ALA 48 -20.642 12.493 -20.386 324 HB2 ALA 48 HB2 ALA 48 -19.323 11.645 -19.577 325 HB3 ALA 48 HB3 ALA 48 -20.957 11.564 -18.918 326 H THR 49 HN THR 49 -21.353 11.295 -22.855 327 HA THR 49 HA THR 49 -19.030 10.364 -24.297 328 HB THR 49 HB THR 49 -21.526 11.782 -25.273 329 HG1 THR 49 HG1 THR 49 -21.178 9.248 -24.488 330 HG21 THR 49 HG21 THR 49 -20.810 11.021 -27.498 331 HG22 THR 49 HG22 THR 49 -19.337 10.355 -26.791 332 HG23 THR 49 HG23 THR 49 -19.614 12.097 -26.773 333 H ILE 50 HN ILE 50 -17.354 11.635 -24.299 334 HA ILE 50 HA ILE 50 -17.555 14.553 -24.018 335 HB ILE 50 HB ILE 50 -15.031 12.977 -24.485 336 HG12 ILE 50 HG12 ILE 50 -16.157 11.826 -22.611 337 HG13 ILE 50 HG11 ILE 50 -14.685 12.649 -22.082 338 HG21 ILE 50 HG21 ILE 50 -13.992 14.770 -23.153 339 HG22 ILE 50 HG22 ILE 50 -15.576 15.524 -22.980 340 HG23 ILE 50 HG23 ILE 50 -14.843 15.370 -24.577 341 HD11 ILE 50 HD11 ILE 50 -17.513 13.604 -21.687 342 HD12 ILE 50 HD12 ILE 50 -16.057 14.437 -21.136 343 HD13 ILE 50 HD13 ILE 50 -16.481 12.860 -20.466 344 H THR 51 HN THR 51 -16.890 15.843 -25.719 345 HA THR 51 HA THR 51 -16.211 14.429 -28.180 346 HB THR 51 HB THR 51 -18.121 16.769 -27.987 347 HG1 THR 51 HG1 THR 51 -18.439 14.173 -27.690 348 HG21 THR 51 HG21 THR 51 -16.800 16.788 -30.080 349 HG22 THR 51 HG22 THR 51 -18.487 16.379 -30.400 350 HG23 THR 51 HG23 THR 51 -17.259 15.114 -30.379 351 H ALA 52 HN ALA 52 -14.299 14.989 -28.798 352 HA ALA 52 HA ALA 52 -13.493 17.787 -28.684 353 HB1 ALA 52 HB1 ALA 52 -11.300 17.229 -27.785 354 HB2 ALA 52 HB2 ALA 52 -11.778 15.534 -27.638 355 HB3 ALA 52 HB3 ALA 52 -12.571 16.764 -26.653 356 H ARG 53 HN ARG 53 -12.411 18.402 -30.406 357 HA ARG 53 HA ARG 53 -11.717 18.496 -32.546 358 HB2 ARG 53 HB2 ARG 53 -10.621 15.724 -32.063 359 HB3 ARG 53 HB1 ARG 53 -10.179 16.792 -33.401 360 HG2 ARG 53 HG2 ARG 53 -9.336 18.381 -31.646 361 HG3 ARG 53 HG1 ARG 53 -9.586 17.050 -30.493 362 HD2 ARG 53 HD2 ARG 53 -7.788 17.086 -32.915 363 HD3 ARG 53 HD1 ARG 53 -7.307 16.990 -31.214 364 HE ARG 53 HE ARG 53 -8.763 14.800 -31.426 365 HH11 ARG 53 HH11 ARG 53 -6.237 16.045 -33.586 366 HH12 ARG 53 HH12 ARG 53 -5.856 14.540 -34.258 367 HH21 ARG 53 HH21 ARG 53 -8.217 12.670 -32.374 368 HH22 ARG 53 HH22 ARG 53 -7.001 12.593 -33.549 369 H GLY 54 HN GLY 54 -14.225 17.372 -31.848 370 HA2 GLY 54 HA2 GLY 54 -16.091 16.668 -33.044 371 HA3 GLY 54 HA1 GLY 54 -15.028 16.372 -34.425 372 H HIS 55 HN HIS 55 -13.877 14.788 -31.630 373 HA HIS 55 HA HIS 55 -14.944 12.253 -32.625 374 HB2 HIS 55 HB2 HIS 55 -12.653 12.823 -30.728 375 HB3 HIS 55 HB1 HIS 55 -13.184 11.216 -31.227 376 HD1 HIS 55 HD1 HIS 55 -11.737 10.258 -33.033 377 HD2 HIS 55 HD2 HIS 55 -11.770 14.405 -33.082 378 HE1 HIS 55 HE1 HIS 55 -10.029 10.948 -34.727 379 H GLU 56 HN GLU 56 -16.249 11.057 -31.366 380 HA GLU 56 HA GLU 56 -17.107 12.087 -28.819 381 HB2 GLU 56 HB2 GLU 56 -18.018 9.787 -30.546 382 HB3 GLU 56 HB1 GLU 56 -18.639 10.060 -28.918 383 HG2 GLU 56 HG2 GLU 56 -20.244 10.969 -30.388 384 HG3 GLU 56 HG1 GLU 56 -19.298 12.297 -29.706 385 H PHE 57 HN PHE 57 -16.379 11.234 -26.942 386 HA PHE 57 HA PHE 57 -15.049 8.625 -26.962 387 HB2 PHE 57 HB2 PHE 57 -14.517 11.020 -25.189 388 HB3 PHE 57 HB1 PHE 57 -13.686 9.461 -25.147 389 HD1 PHE 57 HD2 PHE 57 -12.180 8.842 -27.044 390 HD2 PHE 57 HD1 PHE 57 -13.910 12.714 -26.686 391 HE1 PHE 57 HE2 PHE 57 -10.544 9.724 -28.660 392 HE2 PHE 57 HE1 PHE 57 -12.283 13.595 -28.294 393 HZ PHE 57 HZ PHE 57 -10.607 12.114 -29.286 394 H GLU 58 HN GLU 58 -16.509 7.266 -26.011 395 HA GLU 58 HA GLU 58 -18.373 8.312 -24.035 396 HB2 GLU 58 HB2 GLU 58 -18.990 6.608 -25.786 397 HB3 GLU 58 HB1 GLU 58 -17.955 5.448 -24.937 398 HG2 GLU 58 HG2 GLU 58 -20.102 4.940 -24.207 399 HG3 GLU 58 HG1 GLU 58 -19.459 5.949 -22.917 400 H VAL 59 HN VAL 59 -17.534 8.591 -22.095 401 HA VAL 59 HA VAL 59 -15.371 6.826 -21.224 402 HB VAL 59 HB VAL 59 -14.654 8.560 -19.706 403 HG11 VAL 59 HG11 VAL 59 -15.157 9.717 -22.433 404 HG12 VAL 59 HG12 VAL 59 -13.762 8.762 -21.926 405 HG13 VAL 59 HG13 VAL 59 -14.027 10.365 -21.248 406 HG21 VAL 59 HG21 VAL 59 -15.721 10.773 -19.581 407 HG22 VAL 59 HG22 VAL 59 -16.813 9.488 -19.061 408 HG23 VAL 59 HG23 VAL 59 -16.999 10.207 -20.661 409 H GLU 60 HN GLU 60 -15.435 6.008 -19.136 410 HA GLU 60 HA GLU 60 -17.961 6.353 -17.786 411 HB2 GLU 60 HB2 GLU 60 -17.610 4.101 -16.830 412 HB3 GLU 60 HB1 GLU 60 -17.846 4.049 -18.583 413 HG2 GLU 60 HG2 GLU 60 -15.452 3.756 -18.849 414 HG3 GLU 60 HG1 GLU 60 -15.296 3.850 -17.088 415 H ALA 61 HN ALA 61 -17.753 7.468 -16.089 416 HA ALA 61 HA ALA 61 -15.149 8.081 -14.982 417 HB1 ALA 61 HB1 ALA 61 -17.888 8.891 -14.000 418 HB2 ALA 61 HB2 ALA 61 -16.872 9.815 -15.106 419 HB3 ALA 61 HB3 ALA 61 -16.354 9.563 -13.438 420 H LYS 62 HN LYS 62 -14.119 6.797 -13.634 421 HA LYS 62 HA LYS 62 -15.595 4.655 -12.296 422 HB2 LYS 62 HB2 LYS 62 -12.638 5.010 -12.598 423 HB3 LYS 62 HB1 LYS 62 -13.484 3.567 -12.095 424 HG2 LYS 62 HG2 LYS 62 -13.626 4.845 -14.809 425 HG3 LYS 62 HG1 LYS 62 -12.663 3.430 -14.342 426 HD2 LYS 62 HD2 LYS 62 -15.684 3.597 -14.209 427 HD3 LYS 62 HD1 LYS 62 -14.777 2.881 -15.534 428 HE2 LYS 62 HE2 LYS 62 -13.860 1.200 -14.059 429 HE3 LYS 62 HE1 LYS 62 -14.677 1.933 -12.682 430 HZ1 LYS 62 HZ1 LYS 62 -15.876 -0.002 -13.676 431 HZ2 LYS 62 HZ2 LYS 62 -16.120 0.955 -15.071 432 HZ3 LYS 62 HZ3 LYS 62 -16.764 1.425 -13.584 433 H ASP 63 HN ASP 63 -12.872 6.856 -11.468 434 HA ASP 63 HA ASP 63 -13.359 6.211 -8.649 435 HB2 ASP 63 HB2 ASP 63 -11.438 5.027 -9.569 436 HB3 ASP 63 HB1 ASP 63 -10.777 6.534 -10.169 437 H GLN 64 HN GLN 64 -12.759 7.813 -7.146 438 HA GLN 64 HA GLN 64 -13.572 10.442 -7.796 439 HB2 GLN 64 HB2 GLN 64 -13.147 10.989 -5.492 440 HB3 GLN 64 HB1 GLN 64 -13.918 9.415 -5.591 441 HG2 GLN 64 HG2 GLN 64 -11.699 8.357 -5.300 442 HG3 GLN 64 HG1 GLN 64 -11.009 9.963 -5.111 443 HE21 GLN 64 HE21 GLN 64 -13.077 7.602 -3.712 444 HE22 GLN 64 HE22 GLN 64 -13.075 8.249 -2.107 445 H ASN 65 HN ASN 65 -10.553 9.042 -8.282 446 HA ASN 65 HA ASN 65 -9.192 11.605 -7.935 447 HB2 ASN 65 HB2 ASN 65 -8.120 8.853 -8.593 448 HB3 ASN 65 HB1 ASN 65 -7.137 10.319 -8.468 449 HD21 ASN 65 HD21 ASN 65 -8.938 7.929 -6.761 450 HD22 ASN 65 HD22 ASN 65 -8.371 8.306 -5.168 451 H CYS 66 HN CYS 66 -11.151 10.482 -9.973 452 HA CYS 66 HA CYS 66 -11.676 10.606 -12.062 453 HB2 CYS 66 HB2 CYS 66 -9.996 13.074 -11.875 454 HB3 CYS 66 HB1 CYS 66 -11.004 12.682 -13.282 455 H LYS 67 HN LYS 67 -10.603 8.666 -12.291 456 HA LYS 67 HA LYS 67 -8.498 8.844 -14.270 457 HB2 LYS 67 HB2 LYS 67 -9.344 6.856 -12.357 458 HB3 LYS 67 HB1 LYS 67 -8.815 6.176 -13.922 459 HG2 LYS 67 HG2 LYS 67 -7.138 6.214 -11.991 460 HG3 LYS 67 HG1 LYS 67 -6.596 6.934 -13.499 461 HD2 LYS 67 HD2 LYS 67 -7.933 8.780 -11.743 462 HD3 LYS 67 HD1 LYS 67 -6.415 8.144 -11.028 463 HE2 LYS 67 HE2 LYS 67 -5.271 8.841 -13.087 464 HE3 LYS 67 HE1 LYS 67 -6.862 9.298 -13.717 465 HZ1 LYS 67 HZ1 LYS 67 -5.580 11.237 -12.956 466 HZ2 LYS 67 HZ2 LYS 67 -5.489 10.595 -11.396 467 HZ3 LYS 67 HZ3 LYS 67 -6.971 11.061 -12.034 468 H VAL 68 HN VAL 68 -8.900 8.726 -16.142 469 HA VAL 68 HA VAL 68 -11.645 8.273 -16.929 470 HB VAL 68 HB VAL 68 -10.897 10.423 -17.606 471 HG11 VAL 68 HG11 VAL 68 -8.506 10.120 -17.562 472 HG12 VAL 68 HG12 VAL 68 -8.996 10.815 -19.109 473 HG13 VAL 68 HG13 VAL 68 -8.579 9.104 -19.000 474 HG21 VAL 68 HG21 VAL 68 -10.994 8.574 -19.985 475 HG22 VAL 68 HG22 VAL 68 -11.138 10.324 -20.082 476 HG23 VAL 68 HG23 VAL 68 -12.360 9.387 -19.216 477 H ILE 69 HN ILE 69 -12.043 6.302 -17.264 478 HA ILE 69 HA ILE 69 -10.487 4.871 -19.280 479 HB ILE 69 HB ILE 69 -12.239 3.724 -17.054 480 HG12 ILE 69 HG12 ILE 69 -10.082 2.425 -16.561 481 HG13 ILE 69 HG11 ILE 69 -9.271 3.590 -17.566 482 HG21 ILE 69 HG21 ILE 69 -12.581 2.433 -19.074 483 HG22 ILE 69 HG22 ILE 69 -11.630 1.495 -17.919 484 HG23 ILE 69 HG23 ILE 69 -10.841 2.265 -19.288 485 HD11 ILE 69 HD11 ILE 69 -9.015 4.150 -15.225 486 HD12 ILE 69 HD12 ILE 69 -10.767 4.209 -15.027 487 HD13 ILE 69 HD13 ILE 69 -9.957 5.391 -16.053 488 H LEU 70 HN LEU 70 -11.616 4.323 -21.106 489 HA LEU 70 HA LEU 70 -14.216 5.481 -21.386 490 HB2 LEU 70 HB2 LEU 70 -12.941 3.656 -23.359 491 HB3 LEU 70 HB1 LEU 70 -14.162 4.851 -23.648 492 HG LEU 70 HG LEU 70 -11.318 5.330 -23.026 493 HD11 LEU 70 HD11 LEU 70 -11.621 4.505 -25.283 494 HD12 LEU 70 HD12 LEU 70 -11.203 6.218 -25.360 495 HD13 LEU 70 HD13 LEU 70 -12.876 5.709 -25.588 496 HD21 LEU 70 HD21 LEU 70 -13.489 7.327 -23.617 497 HD22 LEU 70 HD22 LEU 70 -11.768 7.717 -23.553 498 HD23 LEU 70 HD23 LEU 70 -12.593 7.125 -22.108 499 H THR 71 HN THR 71 -15.644 4.058 -22.700 500 HA THR 71 HA THR 71 -16.609 1.960 -20.971 501 HB THR 71 HB THR 71 -18.302 1.689 -22.871 502 HG1 THR 71 HG1 THR 71 -18.204 3.410 -24.439 503 HG21 THR 71 HG21 THR 71 -18.723 3.067 -20.855 504 HG22 THR 71 HG22 THR 71 -19.446 3.783 -22.293 505 HG23 THR 71 HG23 THR 71 -17.940 4.437 -21.643 506 H ASN 72 HN ASN 72 -14.648 2.276 -23.632 507 HA ASN 72 HA ASN 72 -14.844 -0.364 -24.755 508 HB2 ASN 72 HB2 ASN 72 -12.740 1.794 -25.124 509 HB3 ASN 72 HB1 ASN 72 -12.821 0.293 -26.046 510 HD21 ASN 72 HD21 ASN 72 -15.661 2.369 -25.237 511 HD22 ASN 72 HD22 ASN 72 -15.938 2.819 -26.863 512 H GLY 73 HN GLY 73 -13.385 0.999 -21.995 513 HA2 GLY 73 HA2 GLY 73 -12.326 -0.170 -20.331 514 HA3 GLY 73 HA1 GLY 73 -11.932 -1.452 -21.486 515 H LYS 74 HN LYS 74 -11.384 1.569 -22.762 516 HA LYS 74 HA LYS 74 -8.514 1.233 -22.316 517 HB2 LYS 74 HB2 LYS 74 -9.975 2.485 -24.644 518 HB3 LYS 74 HB1 LYS 74 -8.234 2.340 -24.475 519 HG2 LYS 74 HG2 LYS 74 -10.159 0.033 -24.669 520 HG3 LYS 74 HG1 LYS 74 -9.182 0.655 -26.002 521 HD2 LYS 74 HD2 LYS 74 -7.149 0.038 -24.841 522 HD3 LYS 74 HD1 LYS 74 -8.070 -0.441 -23.417 523 HE2 LYS 74 HE2 LYS 74 -7.377 -2.393 -24.724 524 HE3 LYS 74 HE1 LYS 74 -9.129 -2.227 -24.663 525 HZ1 LYS 74 HZ1 LYS 74 -7.398 -1.432 -26.955 526 HZ2 LYS 74 HZ2 LYS 74 -9.096 -1.310 -26.881 527 HZ3 LYS 74 HZ3 LYS 74 -8.372 -2.815 -26.853 528 H GLN 75 HN GLN 75 -7.324 3.134 -22.068 529 HA GLN 75 HA GLN 75 -8.902 5.119 -20.722 530 HB2 GLN 75 HB2 GLN 75 -5.919 4.712 -20.856 531 HB3 GLN 75 HB1 GLN 75 -6.673 6.077 -20.039 532 HG2 GLN 75 HG2 GLN 75 -7.884 4.578 -18.589 533 HG3 GLN 75 HG1 GLN 75 -7.173 3.178 -19.395 534 HE21 GLN 75 HE21 GLN 75 -7.093 3.993 -16.629 535 HE22 GLN 75 HE22 GLN 75 -5.433 4.144 -16.200 536 H ALA 76 HN ALA 76 -7.968 7.400 -20.968 537 HA ALA 76 HA ALA 76 -8.753 8.128 -23.606 538 HB1 ALA 76 HB1 ALA 76 -9.714 9.250 -21.688 539 HB2 ALA 76 HB2 ALA 76 -8.790 10.393 -22.665 540 HB3 ALA 76 HB3 ALA 76 -8.110 9.764 -21.169 541 HA PRO 77 HA PRO 77 -4.720 9.197 -25.305 542 HB2 PRO 77 HB2 PRO 77 -5.578 11.609 -26.426 543 HB3 PRO 77 HB1 PRO 77 -5.625 10.030 -27.237 544 HG2 PRO 77 HG2 PRO 77 -7.797 11.574 -26.054 545 HG3 PRO 77 HG1 PRO 77 -7.841 10.324 -27.315 546 HD2 PRO 77 HD2 PRO 77 -8.672 9.990 -24.735 547 HD3 PRO 77 HD1 PRO 77 -8.184 8.626 -25.741 548 H ASP 78 HN ASP 78 -3.099 10.729 -25.076 549 HA ASP 78 HA ASP 78 -2.616 11.660 -22.519 550 HB2 ASP 78 HB2 ASP 78 -1.469 12.633 -25.131 551 HB3 ASP 78 HB1 ASP 78 -0.866 13.128 -23.560 552 H TRP 79 HN TRP 79 -3.861 13.355 -25.239 553 HA TRP 79 HA TRP 79 -3.815 15.913 -24.000 554 HB2 TRP 79 HB2 TRP 79 -4.944 16.646 -26.098 555 HB3 TRP 79 HB1 TRP 79 -3.460 15.727 -26.350 556 HD1 TRP 79 HD1 TRP 79 -3.675 13.454 -27.528 557 HE1 TRP 79 HE1 TRP 79 -5.518 12.392 -28.980 558 HE3 TRP 79 HE3 TRP 79 -7.524 16.427 -26.104 559 HZ2 TRP 79 HZ2 TRP 79 -8.286 12.790 -29.425 560 HZ3 TRP 79 HZ3 TRP 79 -9.735 16.038 -27.066 561 HH2 TRP 79 HH2 TRP 79 -10.118 14.252 -28.688 562 H LEU 80 HN LEU 80 -6.139 13.347 -23.983 563 HA LEU 80 HA LEU 80 -8.261 15.226 -23.354 564 HB2 LEU 80 HB2 LEU 80 -8.789 13.312 -24.840 565 HB3 LEU 80 HB1 LEU 80 -8.299 12.209 -23.556 566 HG LEU 80 HG LEU 80 -10.154 12.983 -22.171 567 HD11 LEU 80 HD11 LEU 80 -10.371 15.261 -22.994 568 HD12 LEU 80 HD12 LEU 80 -11.909 14.412 -23.127 569 HD13 LEU 80 HD13 LEU 80 -10.915 14.665 -24.562 570 HD21 LEU 80 HD21 LEU 80 -11.989 12.002 -23.478 571 HD22 LEU 80 HD22 LEU 80 -10.513 11.053 -23.621 572 HD23 LEU 80 HD23 LEU 80 -11.007 12.120 -24.935 573 H ALA 81 HN ALA 81 -8.355 15.898 -21.331 574 HA ALA 81 HA ALA 81 -7.226 14.087 -19.304 575 HB1 ALA 81 HB1 ALA 81 -6.943 17.079 -19.392 576 HB2 ALA 81 HB2 ALA 81 -5.683 15.915 -19.801 577 HB3 ALA 81 HB3 ALA 81 -6.296 16.008 -18.148 578 H ALA 82 HN ALA 82 -8.149 14.066 -17.314 579 HA ALA 82 HA ALA 82 -10.555 15.668 -16.884 580 HB1 ALA 82 HB1 ALA 82 -11.282 13.457 -17.646 581 HB2 ALA 82 HB2 ALA 82 -11.665 13.686 -15.940 582 HB3 ALA 82 HB3 ALA 82 -10.283 12.695 -16.406 583 H GLU 83 HN GLU 83 -10.506 16.583 -14.889 584 HA GLU 83 HA GLU 83 -8.814 15.348 -12.939 585 HB2 GLU 83 HB2 GLU 83 -8.189 17.726 -12.194 586 HB3 GLU 83 HB1 GLU 83 -7.421 17.096 -13.636 587 HG2 GLU 83 HG2 GLU 83 -9.014 18.381 -15.001 588 HG3 GLU 83 HG1 GLU 83 -9.705 19.051 -13.521 589 HA PRO 84 HA PRO 84 -12.030 15.275 -10.008 590 HB2 PRO 84 HB2 PRO 84 -10.051 16.749 -8.346 591 HB3 PRO 84 HB1 PRO 84 -11.018 15.303 -7.888 592 HG2 PRO 84 HG2 PRO 84 -8.508 15.079 -8.460 593 HG3 PRO 84 HG1 PRO 84 -9.660 13.933 -9.186 594 HD2 PRO 84 HD2 PRO 84 -8.268 16.235 -10.532 595 HD3 PRO 84 HD1 PRO 84 -8.744 14.624 -11.095 596 H TYR 85 HN TYR 85 -13.781 16.474 -9.686 597 HA TYR 85 HA TYR 85 -13.471 19.333 -9.350 598 HB2 TYR 85 HB2 TYR 85 -14.673 18.741 -11.420 599 HB3 TYR 85 HB1 TYR 85 -15.814 17.790 -10.468 600 HD1 TYR 85 HD1 TYR 85 -14.613 21.216 -11.162 601 HD2 TYR 85 HD2 TYR 85 -17.691 18.860 -9.417 602 HE1 TYR 85 HE1 TYR 85 -16.027 23.218 -10.932 603 HE2 TYR 85 HE2 TYR 85 -19.092 20.850 -9.195 604 HH TYR 85 HH TYR 85 -18.425 23.746 -10.759 Start of MODEL 10 1 H SER 7 HT1 SER 7 9.039 -8.857 -8.708 2 HA SER 7 HA SER 7 7.159 -8.983 -7.271 3 HB2 SER 7 HB2 SER 7 7.203 -7.194 -5.381 4 HB3 SER 7 HB1 SER 7 8.097 -8.705 -5.128 5 HG SER 7 HG SER 7 9.034 -6.129 -5.372 6 H GLY 8 HN GLY 8 5.428 -7.442 -7.529 7 HA2 GLY 8 HA2 GLY 8 5.570 -4.848 -8.305 8 HA3 GLY 8 HA1 GLY 8 5.942 -5.739 -9.774 9 H ARG 9 HN ARG 9 3.689 -6.538 -7.171 10 HA ARG 9 HA ARG 9 1.471 -6.148 -9.067 11 HB2 ARG 9 HB2 ARG 9 2.129 -8.614 -8.364 12 HB3 ARG 9 HB1 ARG 9 1.352 -8.168 -6.850 13 HG2 ARG 9 HG2 ARG 9 -0.645 -7.468 -8.247 14 HG3 ARG 9 HG1 ARG 9 0.127 -8.321 -9.584 15 HD2 ARG 9 HD2 ARG 9 -1.326 -9.892 -8.647 16 HD3 ARG 9 HD1 ARG 9 0.274 -10.281 -7.995 17 HE ARG 9 HE ARG 9 -1.362 -8.517 -6.394 18 HH11 ARG 9 HH11 ARG 9 -0.200 -11.815 -6.871 19 HH12 ARG 9 HH12 ARG 9 -0.783 -12.405 -5.400 20 HH21 ARG 9 HH21 ARG 9 -2.160 -9.286 -4.356 21 HH22 ARG 9 HH22 ARG 9 -1.894 -10.906 -3.884 22 H GLU 10 HN GLU 10 2.768 -4.438 -7.253 23 HA GLU 10 HA GLU 10 1.416 -4.381 -4.742 24 HB2 GLU 10 HB2 GLU 10 3.788 -3.685 -5.134 25 HB3 GLU 10 HB1 GLU 10 3.177 -2.273 -5.981 26 HG2 GLU 10 HG2 GLU 10 2.541 -2.928 -3.110 27 HG3 GLU 10 HG1 GLU 10 3.876 -1.906 -3.606 28 H ASN 11 HN ASN 11 -0.601 -4.169 -5.122 29 HA ASN 11 HA ASN 11 -1.491 -1.490 -5.806 30 HB2 ASN 11 HB2 ASN 11 -2.065 -2.836 -7.798 31 HB3 ASN 11 HB1 ASN 11 -2.822 -4.049 -6.783 32 HD21 ASN 11 HD21 ASN 11 -3.237 -0.533 -6.398 33 HD22 ASN 11 HD22 ASN 11 -4.903 -0.523 -6.822 34 H LEU 12 HN LEU 12 -1.166 -1.530 -3.455 35 HA LEU 12 HA LEU 12 -2.974 -3.034 -1.867 36 HB2 LEU 12 HB2 LEU 12 -0.945 -1.895 -0.975 37 HB3 LEU 12 HB1 LEU 12 -1.744 -0.353 -1.247 38 HG LEU 12 HG LEU 12 -3.576 -1.144 0.217 39 HD11 LEU 12 HD11 LEU 12 -3.253 -3.505 0.166 40 HD12 LEU 12 HD12 LEU 12 -3.073 -2.951 1.831 41 HD13 LEU 12 HD13 LEU 12 -1.646 -3.351 0.875 42 HD21 LEU 12 HD21 LEU 12 -2.388 -0.667 2.306 43 HD22 LEU 12 HD22 LEU 12 -1.905 0.428 1.014 44 HD23 LEU 12 HD23 LEU 12 -0.851 -0.913 1.478 45 H TYR 13 HN TYR 13 -4.993 -2.911 -1.829 46 HA TYR 13 HA TYR 13 -6.470 -1.027 -3.251 47 HB2 TYR 13 HB2 TYR 13 -8.455 -2.055 -2.202 48 HB3 TYR 13 HB1 TYR 13 -7.337 -3.266 -2.805 49 HD1 TYR 13 HD1 TYR 13 -5.935 -4.553 -1.147 50 HD2 TYR 13 HD2 TYR 13 -9.081 -1.963 0.074 51 HE1 TYR 13 HE1 TYR 13 -5.984 -5.649 1.049 52 HE2 TYR 13 HE2 TYR 13 -9.133 -3.050 2.269 53 HH TYR 13 HH TYR 13 -6.678 -5.106 3.312 54 H PHE 14 HN PHE 14 -6.975 0.952 -2.759 55 HA PHE 14 HA PHE 14 -6.427 1.856 -0.115 56 HB2 PHE 14 HB2 PHE 14 -7.027 4.132 -0.975 57 HB3 PHE 14 HB1 PHE 14 -5.690 3.370 -1.815 58 HD1 PHE 14 HD1 PHE 14 -5.985 2.590 -4.135 59 HD2 PHE 14 HD2 PHE 14 -9.073 4.689 -2.091 60 HE1 PHE 14 HE1 PHE 14 -7.078 3.073 -6.280 61 HE2 PHE 14 HE2 PHE 14 -10.176 5.159 -4.235 62 HZ PHE 14 HZ PHE 14 -9.172 4.354 -6.335 63 H GLN 15 HN GLN 15 -7.757 1.373 1.352 64 HA GLN 15 HA GLN 15 -10.563 1.289 0.811 65 HB2 GLN 15 HB2 GLN 15 -10.741 0.596 3.225 66 HB3 GLN 15 HB1 GLN 15 -9.810 -0.470 2.179 67 HG2 GLN 15 HG2 GLN 15 -7.751 0.498 3.019 68 HG3 GLN 15 HG1 GLN 15 -8.725 1.590 4.014 69 HE21 GLN 15 HE21 GLN 15 -7.713 0.759 5.882 70 HE22 GLN 15 HE22 GLN 15 -8.143 -0.776 6.543 71 H GLY 16 HN GLY 16 -10.492 3.398 0.154 72 HA2 GLY 16 HA2 GLY 16 -10.470 5.409 2.263 73 HA3 GLY 16 HA1 GLY 16 -10.463 5.720 0.532 74 H HIS 17 HN HIS 17 -12.341 5.245 3.298 75 HA HIS 17 HA HIS 17 -14.821 5.011 1.867 76 HB2 HIS 17 HB2 HIS 17 -14.261 5.639 4.781 77 HB3 HIS 17 HB1 HIS 17 -15.855 5.288 4.110 78 HD1 HIS 17 HD1 HIS 17 -13.305 3.636 5.967 79 HD2 HIS 17 HD2 HIS 17 -15.669 2.582 2.711 80 HE1 HIS 17 HE1 HIS 17 -13.303 1.140 5.891 81 H MET 18 HN MET 18 -15.434 6.663 0.737 82 HA MET 18 HA MET 18 -14.356 9.259 1.434 83 HB2 MET 18 HB2 MET 18 -15.471 8.191 -1.126 84 HB3 MET 18 HB1 MET 18 -14.974 9.858 -0.888 85 HG2 MET 18 HG2 MET 18 -13.210 7.431 -0.636 86 HG3 MET 18 HG1 MET 18 -13.265 8.560 -1.991 87 HE1 MET 18 HE1 MET 18 -10.571 7.768 -0.513 88 HE2 MET 18 HE2 MET 18 -9.796 9.346 -0.381 89 HE3 MET 18 HE3 MET 18 -10.653 8.907 -1.858 90 H ALA 19 HN ALA 19 -15.568 11.073 1.536 91 HA ALA 19 HA ALA 19 -18.431 10.751 1.695 92 HB1 ALA 19 HB1 ALA 19 -16.640 12.991 2.682 93 HB2 ALA 19 HB2 ALA 19 -17.371 11.735 3.681 94 HB3 ALA 19 HB3 ALA 19 -18.390 12.937 2.888 95 H ALA 20 HN ALA 20 -16.652 10.897 -0.532 96 HA ALA 20 HA ALA 20 -16.451 11.598 -2.634 97 HB1 ALA 20 HB1 ALA 20 -18.293 12.692 -3.765 98 HB2 ALA 20 HB2 ALA 20 -19.016 13.143 -2.221 99 HB3 ALA 20 HB3 ALA 20 -18.918 11.443 -2.685 100 HA PRO 21 HA PRO 21 -14.435 15.561 -1.515 101 HB2 PRO 21 HB2 PRO 21 -11.995 14.870 -2.540 102 HB3 PRO 21 HB1 PRO 21 -12.478 14.454 -0.875 103 HG2 PRO 21 HG2 PRO 21 -12.456 12.740 -3.298 104 HG3 PRO 21 HG1 PRO 21 -12.003 12.346 -1.629 105 HD2 PRO 21 HD2 PRO 21 -14.372 11.629 -2.700 106 HD3 PRO 21 HD1 PRO 21 -14.160 11.976 -0.974 107 H ALA 22 HN ALA 22 -14.936 13.649 -4.270 108 HA ALA 22 HA ALA 22 -14.994 15.980 -6.012 109 HB1 ALA 22 HB1 ALA 22 -13.977 14.631 -7.815 110 HB2 ALA 22 HB2 ALA 22 -13.705 13.320 -6.671 111 HB3 ALA 22 HB3 ALA 22 -12.858 14.852 -6.470 112 H ARG 23 HN ARG 23 -16.835 15.913 -7.247 113 HA ARG 23 HA ARG 23 -18.356 13.396 -7.063 114 HB2 ARG 23 HB2 ARG 23 -19.505 16.190 -7.233 115 HB3 ARG 23 HB1 ARG 23 -20.445 14.706 -7.219 116 HG2 ARG 23 HG2 ARG 23 -19.518 14.202 -4.972 117 HG3 ARG 23 HG1 ARG 23 -18.720 15.774 -4.999 118 HD2 ARG 23 HD2 ARG 23 -20.970 16.825 -5.290 119 HD3 ARG 23 HD1 ARG 23 -21.686 15.228 -5.079 120 HE ARG 23 HE ARG 23 -19.921 16.248 -2.997 121 HH11 ARG 23 HH11 ARG 23 -23.240 15.463 -3.978 122 HH12 ARG 23 HH12 ARG 23 -23.886 15.599 -2.409 123 HH21 ARG 23 HH21 ARG 23 -20.851 16.438 -0.810 124 HH22 ARG 23 HH22 ARG 23 -22.509 16.119 -0.588 125 H PHE 24 HN PHE 24 -17.194 15.912 -9.105 126 HA PHE 24 HA PHE 24 -18.128 14.356 -11.408 127 HB2 PHE 24 HB2 PHE 24 -18.036 17.389 -11.147 128 HB3 PHE 24 HB1 PHE 24 -18.172 16.535 -12.685 129 HD1 PHE 24 HD2 PHE 24 -19.866 17.042 -9.414 130 HD2 PHE 24 HD1 PHE 24 -20.254 15.971 -13.507 131 HE1 PHE 24 HE2 PHE 24 -22.317 17.070 -9.190 132 HE2 PHE 24 HE1 PHE 24 -22.698 16.004 -13.290 133 HZ PHE 24 HZ PHE 24 -23.730 16.549 -11.133 134 H CYS 25 HN CYS 25 -16.729 14.879 -13.319 135 HA CYS 25 HA CYS 25 -14.057 15.733 -12.548 136 HB2 CYS 25 HB2 CYS 25 -14.931 13.580 -14.480 137 HB3 CYS 25 HB1 CYS 25 -13.299 14.257 -14.454 138 H VAL 26 HN VAL 26 -13.234 17.283 -13.790 139 HA VAL 26 HA VAL 26 -14.933 18.498 -15.869 140 HB VAL 26 HB VAL 26 -12.323 19.553 -14.835 141 HG11 VAL 26 HG11 VAL 26 -13.258 20.652 -16.736 142 HG12 VAL 26 HG12 VAL 26 -13.312 21.717 -15.332 143 HG13 VAL 26 HG13 VAL 26 -14.778 20.907 -15.881 144 HG21 VAL 26 HG21 VAL 26 -13.539 19.101 -12.819 145 HG22 VAL 26 HG22 VAL 26 -14.980 19.886 -13.465 146 HG23 VAL 26 HG23 VAL 26 -13.542 20.843 -13.110 147 H TYR 27 HN TYR 27 -14.514 17.909 -17.887 148 HA TYR 27 HA TYR 27 -11.851 16.877 -18.530 149 HB2 TYR 27 HB2 TYR 27 -14.474 16.661 -20.005 150 HB3 TYR 27 HB1 TYR 27 -12.908 16.185 -20.674 151 HD1 TYR 27 HD1 TYR 27 -15.104 15.547 -17.716 152 HD2 TYR 27 HD2 TYR 27 -12.138 14.049 -20.356 153 HE1 TYR 27 HE1 TYR 27 -15.270 13.339 -16.651 154 HE2 TYR 27 HE2 TYR 27 -12.305 11.854 -19.303 155 HH TYR 27 HH TYR 27 -14.803 10.970 -17.236 156 H TYR 28 HN TYR 28 -10.651 17.590 -20.155 157 HA TYR 28 HA TYR 28 -11.388 20.144 -21.414 158 HB2 TYR 28 HB2 TYR 28 -8.696 19.562 -20.203 159 HB3 TYR 28 HB1 TYR 28 -9.213 21.030 -21.028 160 HD1 TYR 28 HD1 TYR 28 -9.335 19.081 -17.969 161 HD2 TYR 28 HD2 TYR 28 -10.518 22.692 -19.853 162 HE1 TYR 28 HE1 TYR 28 -9.809 20.047 -15.797 163 HE2 TYR 28 HE2 TYR 28 -11.023 23.677 -17.663 164 HH TYR 28 HH TYR 28 -9.985 22.160 -14.776 165 H ASP 29 HN ASP 29 -10.215 20.553 -23.258 166 HA ASP 29 HA ASP 29 -8.989 18.280 -24.666 167 HB2 ASP 29 HB2 ASP 29 -10.713 19.694 -25.846 168 HB3 ASP 29 HB1 ASP 29 -9.652 21.083 -25.605 169 H GLY 30 HN GLY 30 -6.826 18.140 -24.187 170 HA2 GLY 30 HA2 GLY 30 -4.920 19.549 -25.132 171 HA3 GLY 30 HA1 GLY 30 -5.428 20.674 -23.864 172 H HIS 31 HN HIS 31 -2.962 19.349 -24.275 173 HA HIS 31 HA HIS 31 -2.915 17.569 -21.956 174 HB2 HIS 31 HB2 HIS 31 -0.785 16.667 -22.763 175 HB3 HIS 31 HB1 HIS 31 -2.025 16.545 -24.014 176 HD1 HIS 31 HD1 HIS 31 1.415 17.427 -23.554 177 HD2 HIS 31 HD2 HIS 31 -1.669 18.756 -26.000 178 HE1 HIS 31 HE1 HIS 31 2.515 18.616 -25.488 179 H LEU 32 HN LEU 32 -2.697 20.615 -22.440 180 HA LEU 32 HA LEU 32 -0.421 21.052 -20.650 181 HB2 LEU 32 HB2 LEU 32 -1.765 22.888 -22.622 182 HB3 LEU 32 HB1 LEU 32 -0.897 23.547 -21.257 183 HG LEU 32 HG LEU 32 1.137 22.403 -22.060 184 HD11 LEU 32 HD11 LEU 32 -0.508 21.871 -24.534 185 HD12 LEU 32 HD12 LEU 32 0.123 20.651 -23.428 186 HD13 LEU 32 HD13 LEU 32 1.233 21.628 -24.393 187 HD21 LEU 32 HD21 LEU 32 -0.151 24.352 -23.947 188 HD22 LEU 32 HD22 LEU 32 1.572 23.970 -23.903 189 HD23 LEU 32 HD23 LEU 32 0.798 24.729 -22.509 190 HA PRO 33 HA PRO 33 -3.565 21.648 -17.580 191 HB2 PRO 33 HB2 PRO 33 -1.949 22.691 -15.627 192 HB3 PRO 33 HB1 PRO 33 -2.023 20.954 -15.994 193 HG2 PRO 33 HG2 PRO 33 0.004 22.952 -16.821 194 HG3 PRO 33 HG1 PRO 33 0.218 21.266 -16.315 195 HD2 PRO 33 HD2 PRO 33 0.279 22.019 -18.914 196 HD3 PRO 33 HD1 PRO 33 -0.313 20.426 -18.383 197 H ALA 34 HN ALA 34 -1.700 24.044 -19.050 198 HA ALA 34 HA ALA 34 -3.140 26.249 -17.785 199 HB1 ALA 34 HB1 ALA 34 -1.666 27.693 -19.079 200 HB2 ALA 34 HB2 ALA 34 -0.972 26.276 -19.867 201 HB3 ALA 34 HB3 ALA 34 -0.753 26.520 -18.136 202 H THR 35 HN THR 35 -2.438 25.219 -21.140 203 HA THR 35 HA THR 35 -4.369 27.040 -22.235 204 HB THR 35 HB THR 35 -2.881 25.031 -23.843 205 HG1 THR 35 HG1 THR 35 -1.734 27.193 -22.388 206 HG21 THR 35 HG21 THR 35 -2.494 27.025 -25.249 207 HG22 THR 35 HG22 THR 35 -3.261 28.033 -24.025 208 HG23 THR 35 HG23 THR 35 -4.210 26.828 -24.895 209 H ARG 36 HN ARG 36 -5.105 24.385 -20.766 210 HA ARG 36 HA ARG 36 -6.241 22.743 -22.807 211 HB2 ARG 36 HB2 ARG 36 -6.887 21.257 -21.062 212 HB3 ARG 36 HB1 ARG 36 -5.381 21.951 -20.582 213 HG2 ARG 36 HG2 ARG 36 -8.077 22.750 -19.476 214 HG3 ARG 36 HG1 ARG 36 -6.859 21.776 -18.671 215 HD2 ARG 36 HD2 ARG 36 -5.342 23.717 -18.673 216 HD3 ARG 36 HD1 ARG 36 -6.593 24.672 -19.468 217 HE ARG 36 HE ARG 36 -7.140 23.404 -16.919 218 HH11 ARG 36 HH11 ARG 36 -6.555 26.430 -18.709 219 HH12 ARG 36 HH12 ARG 36 -7.174 27.432 -17.485 220 HH21 ARG 36 HH21 ARG 36 -7.976 24.874 -15.197 221 HH22 ARG 36 HH22 ARG 36 -7.989 26.546 -15.504 222 H VAL 37 HN VAL 37 -8.330 22.637 -23.529 223 HA VAL 37 HA VAL 37 -9.954 24.999 -22.948 224 HB VAL 37 HB VAL 37 -10.368 22.875 -25.069 225 HG11 VAL 37 HG11 VAL 37 -11.546 25.636 -24.817 226 HG12 VAL 37 HG12 VAL 37 -12.390 24.111 -24.556 227 HG13 VAL 37 HG13 VAL 37 -11.804 24.529 -26.168 228 HG21 VAL 37 HG21 VAL 37 -9.024 25.563 -25.336 229 HG22 VAL 37 HG22 VAL 37 -9.388 24.463 -26.665 230 HG23 VAL 37 HG23 VAL 37 -8.229 23.992 -25.420 231 H LEU 38 HN LEU 38 -11.716 24.863 -21.713 232 HA LEU 38 HA LEU 38 -12.486 22.524 -20.336 233 HB2 LEU 38 HB2 LEU 38 -12.798 24.757 -19.415 234 HB3 LEU 38 HB1 LEU 38 -13.847 25.201 -20.728 235 HG LEU 38 HG LEU 38 -14.930 24.837 -18.469 236 HD11 LEU 38 HD11 LEU 38 -16.907 23.701 -19.316 237 HD12 LEU 38 HD12 LEU 38 -15.998 23.178 -20.734 238 HD13 LEU 38 HD13 LEU 38 -16.291 24.894 -20.460 239 HD21 LEU 38 HD21 LEU 38 -14.402 21.946 -19.111 240 HD22 LEU 38 HD22 LEU 38 -15.429 22.545 -17.806 241 HD23 LEU 38 HD23 LEU 38 -13.696 22.870 -17.786 242 H LEU 39 HN LEU 39 -13.826 20.901 -20.863 243 HA LEU 39 HA LEU 39 -15.416 21.258 -23.296 244 HB2 LEU 39 HB2 LEU 39 -14.369 18.727 -22.041 245 HB3 LEU 39 HB1 LEU 39 -15.428 18.778 -23.433 246 HG LEU 39 HG LEU 39 -12.631 19.913 -23.330 247 HD11 LEU 39 HD11 LEU 39 -12.068 18.056 -24.812 248 HD12 LEU 39 HD12 LEU 39 -13.711 17.431 -24.643 249 HD13 LEU 39 HD13 LEU 39 -12.638 17.488 -23.245 250 HD21 LEU 39 HD21 LEU 39 -14.045 21.144 -24.891 251 HD22 LEU 39 HD22 LEU 39 -14.579 19.634 -25.623 252 HD23 LEU 39 HD23 LEU 39 -12.898 20.137 -25.772 253 H MET 40 HN MET 40 -15.664 19.344 -20.191 254 HA MET 40 HA MET 40 -18.228 20.270 -19.505 255 HB2 MET 40 HB2 MET 40 -19.651 18.406 -20.116 256 HB3 MET 40 HB1 MET 40 -18.969 19.131 -21.576 257 HG2 MET 40 HG2 MET 40 -17.400 17.325 -21.768 258 HG3 MET 40 HG1 MET 40 -17.943 16.677 -20.222 259 HE1 MET 40 HE1 MET 40 -18.873 17.358 -23.970 260 HE2 MET 40 HE2 MET 40 -20.187 18.188 -23.136 261 HE3 MET 40 HE3 MET 40 -20.518 16.733 -24.072 262 H TYR 41 HN TYR 41 -19.280 18.960 -17.969 263 HA TYR 41 HA TYR 41 -17.323 17.712 -16.175 264 HB2 TYR 41 HB2 TYR 41 -20.116 18.744 -15.673 265 HB3 TYR 41 HB1 TYR 41 -19.026 18.082 -14.452 266 HD1 TYR 41 HD1 TYR 41 -17.032 19.368 -13.797 267 HD2 TYR 41 HD2 TYR 41 -19.936 20.995 -16.431 268 HE1 TYR 41 HE1 TYR 41 -16.152 21.627 -13.373 269 HE2 TYR 41 HE2 TYR 41 -19.056 23.255 -16.018 270 HH TYR 41 HH TYR 41 -17.801 24.373 -14.149 271 H VAL 42 HN VAL 42 -17.578 15.620 -15.542 272 HA VAL 42 HA VAL 42 -20.026 14.200 -16.367 273 HB VAL 42 HB VAL 42 -17.220 13.033 -16.308 274 HG11 VAL 42 HG11 VAL 42 -18.230 11.007 -17.269 275 HG12 VAL 42 HG12 VAL 42 -19.825 11.741 -17.115 276 HG13 VAL 42 HG13 VAL 42 -18.884 11.373 -15.671 277 HG21 VAL 42 HG21 VAL 42 -17.504 14.470 -18.234 278 HG22 VAL 42 HG22 VAL 42 -19.020 13.671 -18.641 279 HG23 VAL 42 HG23 VAL 42 -17.499 12.781 -18.743 280 H ARG 43 HN ARG 43 -21.002 13.085 -14.834 281 HA ARG 43 HA ARG 43 -20.272 13.431 -12.115 282 HB2 ARG 43 HB2 ARG 43 -22.591 13.421 -12.894 283 HB3 ARG 43 HB1 ARG 43 -22.419 11.760 -13.427 284 HG2 ARG 43 HG2 ARG 43 -23.668 11.897 -11.357 285 HG3 ARG 43 HG1 ARG 43 -22.145 11.048 -11.105 286 HD2 ARG 43 HD2 ARG 43 -21.161 13.028 -10.129 287 HD3 ARG 43 HD1 ARG 43 -22.607 13.963 -10.495 288 HE ARG 43 HE ARG 43 -23.795 12.685 -8.901 289 HH11 ARG 43 HH11 ARG 43 -20.277 12.263 -8.743 290 HH12 ARG 43 HH12 ARG 43 -20.306 11.749 -7.114 291 HH21 ARG 43 HH21 ARG 43 -23.773 12.004 -6.675 292 HH22 ARG 43 HH22 ARG 43 -22.299 11.618 -5.915 293 H ILE 44 HN ILE 44 -18.912 12.223 -11.009 294 HA ILE 44 HA ILE 44 -17.729 9.863 -11.950 295 HB ILE 44 HB ILE 44 -17.890 10.895 -9.100 296 HG12 ILE 44 HG12 ILE 44 -15.735 11.133 -11.210 297 HG13 ILE 44 HG11 ILE 44 -16.760 12.433 -10.619 298 HG21 ILE 44 HG21 ILE 44 -15.970 9.414 -8.618 299 HG22 ILE 44 HG22 ILE 44 -16.088 8.746 -10.245 300 HG23 ILE 44 HG23 ILE 44 -17.400 8.494 -9.094 301 HD11 ILE 44 HD11 ILE 44 -14.780 10.882 -9.013 302 HD12 ILE 44 HD12 ILE 44 -15.720 12.263 -8.424 303 HD13 ILE 44 HD13 ILE 44 -14.491 12.484 -9.681 304 H GLY 45 HN GLY 45 -18.345 7.895 -11.957 305 HA2 GLY 45 HA2 GLY 45 -19.393 6.022 -10.815 306 HA3 GLY 45 HA1 GLY 45 -20.707 7.128 -10.410 307 H THR 46 HN THR 46 -20.293 8.394 -13.121 308 HA THR 46 HA THR 46 -21.829 6.387 -14.649 309 HB THR 46 HB THR 46 -23.164 8.189 -15.590 310 HG1 THR 46 HG1 THR 46 -21.356 9.814 -14.167 311 HG21 THR 46 HG21 THR 46 -23.080 8.372 -12.579 312 HG22 THR 46 HG22 THR 46 -23.975 7.169 -13.507 313 HG23 THR 46 HG23 THR 46 -24.427 8.872 -13.598 314 H THR 47 HN THR 47 -21.897 6.780 -16.891 315 HA THR 47 HA THR 47 -19.303 7.595 -17.965 316 HB THR 47 HB THR 47 -19.988 6.349 -19.931 317 HG1 THR 47 HG1 THR 47 -21.957 4.835 -19.123 318 HG21 THR 47 HG21 THR 47 -19.924 4.066 -18.949 319 HG22 THR 47 HG22 THR 47 -20.204 4.778 -17.358 320 HG23 THR 47 HG23 THR 47 -18.727 5.152 -18.250 321 H ALA 48 HN ALA 48 -19.323 8.731 -19.894 322 HA ALA 48 HA ALA 48 -21.694 10.018 -20.919 323 HB1 ALA 48 HB1 ALA 48 -19.691 11.778 -19.502 324 HB2 ALA 48 HB2 ALA 48 -21.321 11.425 -18.931 325 HB3 ALA 48 HB3 ALA 48 -21.089 12.327 -20.429 326 H THR 49 HN THR 49 -21.354 11.129 -22.818 327 HA THR 49 HA THR 49 -18.889 10.359 -24.135 328 HB THR 49 HB THR 49 -21.391 11.569 -25.326 329 HG1 THR 49 HG1 THR 49 -21.006 9.169 -24.313 330 HG21 THR 49 HG21 THR 49 -20.503 10.704 -27.446 331 HG22 THR 49 HG22 THR 49 -19.064 10.124 -26.613 332 HG23 THR 49 HG23 THR 49 -19.382 11.858 -26.722 333 H ILE 50 HN ILE 50 -17.320 11.685 -24.213 334 HA ILE 50 HA ILE 50 -17.649 14.592 -24.114 335 HB ILE 50 HB ILE 50 -15.113 12.992 -24.429 336 HG12 ILE 50 HG12 ILE 50 -16.260 12.169 -22.405 337 HG13 ILE 50 HG11 ILE 50 -14.769 13.028 -22.007 338 HG21 ILE 50 HG21 ILE 50 -14.039 14.954 -23.399 339 HG22 ILE 50 HG22 ILE 50 -15.613 15.747 -23.319 340 HG23 ILE 50 HG23 ILE 50 -14.904 15.353 -24.884 341 HD11 ILE 50 HD11 ILE 50 -16.532 13.568 -20.448 342 HD12 ILE 50 HD12 ILE 50 -17.577 14.086 -21.771 343 HD13 ILE 50 HD13 ILE 50 -16.106 14.988 -21.403 344 H THR 51 HN THR 51 -17.027 15.751 -25.905 345 HA THR 51 HA THR 51 -16.312 14.217 -28.280 346 HB THR 51 HB THR 51 -18.244 16.561 -28.253 347 HG1 THR 51 HG1 THR 51 -18.500 13.861 -27.943 348 HG21 THR 51 HG21 THR 51 -17.444 14.649 -30.470 349 HG22 THR 51 HG22 THR 51 -16.944 16.335 -30.357 350 HG23 THR 51 HG23 THR 51 -18.643 15.933 -30.607 351 H ALA 52 HN ALA 52 -14.324 14.757 -28.712 352 HA ALA 52 HA ALA 52 -13.544 17.560 -28.577 353 HB1 ALA 52 HB1 ALA 52 -11.427 16.965 -27.529 354 HB2 ALA 52 HB2 ALA 52 -11.938 15.274 -27.430 355 HB3 ALA 52 HB3 ALA 52 -12.782 16.508 -26.497 356 H ARG 53 HN ARG 53 -12.187 18.161 -30.133 357 HA ARG 53 HA ARG 53 -11.348 18.279 -32.207 358 HB2 ARG 53 HB2 ARG 53 -10.429 15.415 -31.825 359 HB3 ARG 53 HB1 ARG 53 -9.774 16.603 -32.958 360 HG2 ARG 53 HG2 ARG 53 -9.223 17.951 -30.845 361 HG3 ARG 53 HG1 ARG 53 -9.514 16.419 -30.012 362 HD2 ARG 53 HD2 ARG 53 -7.475 16.951 -32.180 363 HD3 ARG 53 HD1 ARG 53 -7.154 16.673 -30.464 364 HE ARG 53 HE ARG 53 -8.525 14.474 -31.631 365 HH11 ARG 53 HH11 ARG 53 -5.321 15.933 -31.334 366 HH12 ARG 53 HH12 ARG 53 -4.472 14.500 -31.705 367 HH21 ARG 53 HH21 ARG 53 -7.348 12.524 -32.159 368 HH22 ARG 53 HH22 ARG 53 -5.647 12.539 -32.230 369 H GLY 54 HN GLY 54 -13.960 17.293 -31.753 370 HA2 GLY 54 HA2 GLY 54 -15.768 16.764 -33.122 371 HA3 GLY 54 HA1 GLY 54 -14.624 16.495 -34.441 372 H HIS 55 HN HIS 55 -13.853 14.706 -31.617 373 HA HIS 55 HA HIS 55 -15.033 12.296 -32.815 374 HB2 HIS 55 HB2 HIS 55 -12.562 12.619 -31.100 375 HB3 HIS 55 HB1 HIS 55 -13.231 11.068 -31.621 376 HD1 HIS 55 HD1 HIS 55 -12.478 10.255 -33.925 377 HD2 HIS 55 HD2 HIS 55 -11.491 14.208 -33.180 378 HE1 HIS 55 HE1 HIS 55 -10.967 10.961 -35.801 379 H GLU 56 HN GLU 56 -15.925 10.800 -31.445 380 HA GLU 56 HA GLU 56 -16.960 11.953 -28.968 381 HB2 GLU 56 HB2 GLU 56 -17.949 9.753 -30.748 382 HB3 GLU 56 HB1 GLU 56 -18.658 10.130 -29.174 383 HG2 GLU 56 HG2 GLU 56 -19.233 12.338 -29.937 384 HG3 GLU 56 HG1 GLU 56 -18.431 12.045 -31.477 385 H PHE 57 HN PHE 57 -16.382 11.135 -27.067 386 HA PHE 57 HA PHE 57 -15.100 8.503 -26.934 387 HB2 PHE 57 HB2 PHE 57 -14.533 10.969 -25.286 388 HB3 PHE 57 HB1 PHE 57 -13.714 9.405 -25.198 389 HD1 PHE 57 HD1 PHE 57 -12.221 8.722 -27.041 390 HD2 PHE 57 HD2 PHE 57 -13.947 12.600 -26.869 391 HE1 PHE 57 HE1 PHE 57 -10.582 9.522 -28.672 392 HE2 PHE 57 HE2 PHE 57 -12.315 13.411 -28.507 393 HZ PHE 57 HZ PHE 57 -10.633 11.880 -29.416 394 H GLU 58 HN GLU 58 -16.657 7.272 -25.961 395 HA GLU 58 HA GLU 58 -18.355 8.415 -23.884 396 HB2 GLU 58 HB2 GLU 58 -19.108 6.624 -25.488 397 HB3 GLU 58 HB1 GLU 58 -17.991 5.506 -24.700 398 HG2 GLU 58 HG2 GLU 58 -19.992 4.963 -23.720 399 HG3 GLU 58 HG1 GLU 58 -19.338 6.122 -22.565 400 H VAL 59 HN VAL 59 -17.345 8.795 -22.034 401 HA VAL 59 HA VAL 59 -15.067 7.095 -21.266 402 HB VAL 59 HB VAL 59 -14.236 8.942 -19.934 403 HG11 VAL 59 HG11 VAL 59 -13.791 10.669 -21.607 404 HG12 VAL 59 HG12 VAL 59 -15.017 9.957 -22.652 405 HG13 VAL 59 HG13 VAL 59 -13.567 9.043 -22.245 406 HG21 VAL 59 HG21 VAL 59 -16.332 9.878 -19.119 407 HG22 VAL 59 HG22 VAL 59 -16.704 10.497 -20.729 408 HG23 VAL 59 HG23 VAL 59 -15.334 11.144 -19.831 409 H GLU 60 HN GLU 60 -14.891 6.574 -19.088 410 HA GLU 60 HA GLU 60 -17.407 6.656 -17.602 411 HB2 GLU 60 HB2 GLU 60 -16.755 4.388 -18.261 412 HB3 GLU 60 HB1 GLU 60 -15.174 4.631 -17.517 413 HG2 GLU 60 HG2 GLU 60 -16.208 4.825 -15.341 414 HG3 GLU 60 HG1 GLU 60 -17.803 4.640 -16.063 415 H ALA 61 HN ALA 61 -17.300 8.109 -15.996 416 HA ALA 61 HA ALA 61 -14.675 8.764 -14.912 417 HB1 ALA 61 HB1 ALA 61 -16.224 10.636 -15.351 418 HB2 ALA 61 HB2 ALA 61 -15.853 10.518 -13.631 419 HB3 ALA 61 HB3 ALA 61 -17.397 9.926 -14.240 420 H LYS 62 HN LYS 62 -14.297 6.736 -14.048 421 HA LYS 62 HA LYS 62 -16.138 5.707 -12.059 422 HB2 LYS 62 HB2 LYS 62 -14.667 3.753 -12.035 423 HB3 LYS 62 HB1 LYS 62 -15.362 4.111 -13.609 424 HG2 LYS 62 HG2 LYS 62 -13.323 5.111 -14.334 425 HG3 LYS 62 HG1 LYS 62 -12.573 4.870 -12.744 426 HD2 LYS 62 HD2 LYS 62 -13.561 2.650 -14.546 427 HD3 LYS 62 HD1 LYS 62 -11.884 3.167 -14.432 428 HE2 LYS 62 HE2 LYS 62 -11.771 2.528 -12.113 429 HE3 LYS 62 HE1 LYS 62 -13.494 2.164 -12.076 430 HZ1 LYS 62 HZ1 LYS 62 -13.135 0.410 -13.638 431 HZ2 LYS 62 HZ2 LYS 62 -12.180 0.162 -12.282 432 HZ3 LYS 62 HZ3 LYS 62 -11.488 0.724 -13.720 433 H ASP 63 HN ASP 63 -13.205 7.530 -12.004 434 HA ASP 63 HA ASP 63 -12.603 6.483 -9.357 435 HB2 ASP 63 HB2 ASP 63 -10.999 5.678 -10.967 436 HB3 ASP 63 HB1 ASP 63 -10.790 7.291 -11.613 437 H GLN 64 HN GLN 64 -12.022 7.930 -7.841 438 HA GLN 64 HA GLN 64 -13.084 10.564 -8.262 439 HB2 GLN 64 HB2 GLN 64 -11.985 9.221 -5.809 440 HB3 GLN 64 HB1 GLN 64 -12.649 10.853 -5.822 441 HG2 GLN 64 HG2 GLN 64 -14.793 9.995 -6.574 442 HG3 GLN 64 HG1 GLN 64 -14.137 8.365 -6.621 443 HE21 GLN 64 HE21 GLN 64 -15.624 7.625 -5.193 444 HE22 GLN 64 HE22 GLN 64 -15.625 8.000 -3.521 445 H ASN 65 HN ASN 65 -10.292 9.518 -9.179 446 HA ASN 65 HA ASN 65 -9.003 12.116 -8.630 447 HB2 ASN 65 HB2 ASN 65 -7.765 10.140 -7.687 448 HB3 ASN 65 HB1 ASN 65 -7.709 9.464 -9.320 449 HD21 ASN 65 HD21 ASN 65 -5.498 9.389 -9.284 450 HD22 ASN 65 HD22 ASN 65 -4.509 10.800 -9.440 451 H CYS 66 HN CYS 66 -10.843 10.543 -10.585 452 HA CYS 66 HA CYS 66 -11.508 10.558 -12.638 453 HB2 CYS 66 HB2 CYS 66 -9.743 12.976 -12.970 454 HB3 CYS 66 HB1 CYS 66 -11.068 12.489 -14.044 455 H LYS 67 HN LYS 67 -9.943 8.551 -12.421 456 HA LYS 67 HA LYS 67 -7.938 8.372 -14.310 457 HB2 LYS 67 HB2 LYS 67 -8.716 6.771 -12.354 458 HB3 LYS 67 HB1 LYS 67 -9.846 6.212 -13.577 459 HG2 LYS 67 HG2 LYS 67 -7.953 4.716 -13.343 460 HG3 LYS 67 HG1 LYS 67 -8.044 5.433 -14.957 461 HD2 LYS 67 HD2 LYS 67 -6.616 6.956 -13.013 462 HD3 LYS 67 HD1 LYS 67 -5.805 5.407 -13.404 463 HE2 LYS 67 HE2 LYS 67 -5.841 6.002 -15.745 464 HE3 LYS 67 HE1 LYS 67 -6.813 7.431 -15.361 465 HZ1 LYS 67 HZ1 LYS 67 -4.434 7.977 -15.763 466 HZ2 LYS 67 HZ2 LYS 67 -3.987 6.956 -14.488 467 HZ3 LYS 67 HZ3 LYS 67 -4.884 8.334 -14.176 468 H VAL 68 HN VAL 68 -8.483 8.985 -16.379 469 HA VAL 68 HA VAL 68 -11.162 8.556 -17.253 470 HB VAL 68 HB VAL 68 -10.192 10.703 -17.785 471 HG11 VAL 68 HG11 VAL 68 -8.422 11.008 -19.447 472 HG12 VAL 68 HG12 VAL 68 -8.182 9.262 -19.500 473 HG13 VAL 68 HG13 VAL 68 -7.854 10.151 -18.014 474 HG21 VAL 68 HG21 VAL 68 -11.916 9.877 -19.260 475 HG22 VAL 68 HG22 VAL 68 -10.711 9.058 -20.244 476 HG23 VAL 68 HG23 VAL 68 -10.737 10.822 -20.183 477 H ILE 69 HN ILE 69 -11.564 6.551 -17.506 478 HA ILE 69 HA ILE 69 -10.203 5.130 -19.678 479 HB ILE 69 HB ILE 69 -11.598 3.909 -17.245 480 HG12 ILE 69 HG12 ILE 69 -8.663 3.925 -17.919 481 HG13 ILE 69 HG11 ILE 69 -9.429 5.063 -16.818 482 HG21 ILE 69 HG21 ILE 69 -11.725 2.513 -19.287 483 HG22 ILE 69 HG22 ILE 69 -10.682 1.778 -18.067 484 HG23 ILE 69 HG23 ILE 69 -9.972 2.608 -19.449 485 HD11 ILE 69 HD11 ILE 69 -10.044 3.220 -15.346 486 HD12 ILE 69 HD12 ILE 69 -8.309 3.226 -15.636 487 HD13 ILE 69 HD13 ILE 69 -9.342 2.063 -16.477 488 H LEU 70 HN LEU 70 -11.569 4.133 -21.091 489 HA LEU 70 HA LEU 70 -14.190 5.412 -21.271 490 HB2 LEU 70 HB2 LEU 70 -12.961 3.541 -23.218 491 HB3 LEU 70 HB1 LEU 70 -14.244 4.681 -23.490 492 HG LEU 70 HG LEU 70 -11.411 5.404 -22.929 493 HD11 LEU 70 HD11 LEU 70 -11.307 6.050 -25.323 494 HD12 LEU 70 HD12 LEU 70 -12.939 5.416 -25.541 495 HD13 LEU 70 HD13 LEU 70 -11.620 4.324 -25.120 496 HD21 LEU 70 HD21 LEU 70 -13.748 7.091 -23.778 497 HD22 LEU 70 HD22 LEU 70 -12.079 7.654 -23.682 498 HD23 LEU 70 HD23 LEU 70 -12.918 7.119 -22.222 499 H THR 71 HN THR 71 -15.641 3.900 -22.524 500 HA THR 71 HA THR 71 -16.636 2.019 -20.587 501 HB THR 71 HB THR 71 -18.443 1.672 -22.359 502 HG1 THR 71 HG1 THR 71 -18.412 2.938 -24.083 503 HG21 THR 71 HG21 THR 71 -18.690 3.133 -20.409 504 HG22 THR 71 HG22 THR 71 -19.479 3.827 -21.825 505 HG23 THR 71 HG23 THR 71 -17.914 4.447 -21.293 506 H ASN 72 HN ASN 72 -14.935 1.800 -23.563 507 HA ASN 72 HA ASN 72 -15.368 -1.015 -23.913 508 HB2 ASN 72 HB2 ASN 72 -13.498 -0.783 -25.629 509 HB3 ASN 72 HB1 ASN 72 -14.977 0.131 -25.953 510 HD21 ASN 72 HD21 ASN 72 -13.759 1.475 -27.307 511 HD22 ASN 72 HD22 ASN 72 -12.758 2.727 -26.688 512 H GLY 73 HN GLY 73 -13.549 0.759 -21.803 513 HA2 GLY 73 HA2 GLY 73 -12.292 -0.162 -20.099 514 HA3 GLY 73 HA1 GLY 73 -12.015 -1.596 -21.105 515 H LYS 74 HN LYS 74 -11.575 1.266 -22.860 516 HA LYS 74 HA LYS 74 -8.747 0.801 -22.619 517 HB2 LYS 74 HB2 LYS 74 -10.299 2.187 -24.801 518 HB3 LYS 74 HB1 LYS 74 -8.561 1.942 -24.788 519 HG2 LYS 74 HG2 LYS 74 -10.673 -0.208 -24.892 520 HG3 LYS 74 HG1 LYS 74 -9.651 0.317 -26.230 521 HD2 LYS 74 HD2 LYS 74 -7.662 -0.423 -24.960 522 HD3 LYS 74 HD1 LYS 74 -8.722 -0.976 -23.666 523 HE2 LYS 74 HE2 LYS 74 -8.085 -2.853 -25.031 524 HE3 LYS 74 HE1 LYS 74 -9.803 -2.520 -25.231 525 HZ1 LYS 74 HZ1 LYS 74 -7.691 -1.618 -27.093 526 HZ2 LYS 74 HZ2 LYS 74 -9.360 -1.488 -27.349 527 HZ3 LYS 74 HZ3 LYS 74 -8.609 -3.000 -27.311 528 H GLN 75 HN GLN 75 -7.345 2.504 -22.418 529 HA GLN 75 HA GLN 75 -8.290 4.672 -20.854 530 HB2 GLN 75 HB2 GLN 75 -5.562 3.998 -21.971 531 HB3 GLN 75 HB1 GLN 75 -5.871 5.496 -21.118 532 HG2 GLN 75 HG2 GLN 75 -4.837 3.865 -19.652 533 HG3 GLN 75 HG1 GLN 75 -6.469 4.223 -19.108 534 HE21 GLN 75 HE21 GLN 75 -4.376 1.841 -20.514 535 HE22 GLN 75 HE22 GLN 75 -5.458 0.512 -20.312 536 H ALA 76 HN ALA 76 -8.540 6.695 -21.406 537 HA ALA 76 HA ALA 76 -9.160 7.283 -24.087 538 HB1 ALA 76 HB1 ALA 76 -9.012 9.038 -21.642 539 HB2 ALA 76 HB2 ALA 76 -10.421 8.121 -22.166 540 HB3 ALA 76 HB3 ALA 76 -9.819 9.447 -23.156 541 HA PRO 77 HA PRO 77 -5.483 9.212 -25.721 542 HB2 PRO 77 HB2 PRO 77 -7.018 11.759 -25.811 543 HB3 PRO 77 HB1 PRO 77 -6.128 10.938 -27.116 544 HG2 PRO 77 HG2 PRO 77 -8.743 10.879 -27.082 545 HG3 PRO 77 HG1 PRO 77 -7.798 9.436 -27.528 546 HD2 PRO 77 HD2 PRO 77 -9.257 9.980 -24.974 547 HD3 PRO 77 HD1 PRO 77 -9.012 8.462 -25.856 548 H ASP 78 HN ASP 78 -3.777 10.471 -25.070 549 HA ASP 78 HA ASP 78 -3.792 11.147 -22.317 550 HB2 ASP 78 HB2 ASP 78 -1.843 10.098 -23.418 551 HB3 ASP 78 HB1 ASP 78 -1.594 11.574 -24.342 552 H TRP 79 HN TRP 79 -4.288 12.889 -25.203 553 HA TRP 79 HA TRP 79 -3.716 15.468 -24.070 554 HB2 TRP 79 HB2 TRP 79 -4.628 16.356 -26.236 555 HB3 TRP 79 HB1 TRP 79 -3.318 15.192 -26.434 556 HD1 TRP 79 HD1 TRP 79 -3.784 13.178 -27.844 557 HE1 TRP 79 HE1 TRP 79 -5.820 12.265 -29.173 558 HE3 TRP 79 HE3 TRP 79 -7.369 16.320 -26.072 559 HZ2 TRP 79 HZ2 TRP 79 -8.557 12.824 -29.404 560 HZ3 TRP 79 HZ3 TRP 79 -9.658 16.080 -26.887 561 HH2 TRP 79 HH2 TRP 79 -10.247 14.364 -28.521 562 H LEU 80 HN LEU 80 -6.184 13.359 -23.668 563 HA LEU 80 HA LEU 80 -8.242 15.382 -23.363 564 HB2 LEU 80 HB2 LEU 80 -8.786 13.063 -24.318 565 HB3 LEU 80 HB1 LEU 80 -8.311 12.423 -22.753 566 HG LEU 80 HG LEU 80 -10.133 13.611 -21.675 567 HD11 LEU 80 HD11 LEU 80 -10.909 14.471 -24.464 568 HD12 LEU 80 HD12 LEU 80 -10.363 15.521 -23.155 569 HD13 LEU 80 HD13 LEU 80 -11.898 14.670 -23.018 570 HD21 LEU 80 HD21 LEU 80 -10.503 11.338 -22.425 571 HD22 LEU 80 HD22 LEU 80 -10.997 11.916 -24.015 572 HD23 LEU 80 HD23 LEU 80 -11.983 12.279 -22.597 573 H ALA 81 HN ALA 81 -8.524 16.324 -21.394 574 HA ALA 81 HA ALA 81 -6.973 15.155 -19.184 575 HB1 ALA 81 HB1 ALA 81 -7.541 18.070 -19.705 576 HB2 ALA 81 HB2 ALA 81 -6.007 17.255 -20.003 577 HB3 ALA 81 HB3 ALA 81 -6.616 17.414 -18.356 578 H ALA 82 HN ALA 82 -7.798 15.351 -17.134 579 HA ALA 82 HA ALA 82 -10.515 16.277 -16.760 580 HB1 ALA 82 HB1 ALA 82 -10.855 13.991 -17.589 581 HB2 ALA 82 HB2 ALA 82 -11.332 14.135 -15.896 582 HB3 ALA 82 HB3 ALA 82 -9.798 13.374 -16.319 583 H GLU 83 HN GLU 83 -10.697 17.128 -14.757 584 HA GLU 83 HA GLU 83 -8.881 16.141 -12.721 585 HB2 GLU 83 HB2 GLU 83 -8.483 18.370 -11.863 586 HB3 GLU 83 HB1 GLU 83 -8.049 18.337 -13.560 587 HG2 GLU 83 HG2 GLU 83 -10.234 19.423 -14.063 588 HG3 GLU 83 HG1 GLU 83 -10.524 19.515 -12.336 589 HA PRO 84 HA PRO 84 -12.489 15.434 -10.373 590 HB2 PRO 84 HB2 PRO 84 -11.454 15.961 -7.861 591 HB3 PRO 84 HB1 PRO 84 -11.193 14.443 -8.748 592 HG2 PRO 84 HG2 PRO 84 -9.446 16.819 -8.498 593 HG3 PRO 84 HG1 PRO 84 -9.043 15.086 -8.445 594 HD2 PRO 84 HD2 PRO 84 -8.569 16.452 -10.650 595 HD3 PRO 84 HD1 PRO 84 -9.274 14.810 -10.682 596 H TYR 85 HN TYR 85 -14.232 16.501 -9.801 597 HA TYR 85 HA TYR 85 -14.000 19.325 -9.229 598 HB2 TYR 85 HB2 TYR 85 -15.056 18.841 -11.379 599 HB3 TYR 85 HB1 TYR 85 -16.232 17.804 -10.565 600 HD1 TYR 85 HD2 TYR 85 -15.093 21.306 -10.977 601 HD2 TYR 85 HD1 TYR 85 -18.235 18.763 -9.660 602 HE1 TYR 85 HE2 TYR 85 -16.580 23.246 -10.790 603 HE2 TYR 85 HE1 TYR 85 -19.730 20.695 -9.480 604 HH TYR 85 HH TYR 85 -19.548 23.084 -9.177 Start of MODEL 11 1 H SER 7 HT1 SER 7 -10.061 -13.972 2.771 2 HA SER 7 HA SER 7 -11.602 -14.500 1.033 3 HB2 SER 7 HB2 SER 7 -12.417 -12.169 2.759 4 HB3 SER 7 HB1 SER 7 -13.452 -13.482 2.151 5 HG SER 7 HG SER 7 -12.816 -14.680 3.734 6 H GLY 8 HN GLY 8 -12.195 -13.952 -1.032 7 HA2 GLY 8 HA2 GLY 8 -11.377 -11.380 -2.037 8 HA3 GLY 8 HA1 GLY 8 -11.998 -12.724 -2.980 9 H ARG 9 HN ARG 9 -13.345 -10.920 -0.276 10 HA ARG 9 HA ARG 9 -15.548 -10.112 -2.017 11 HB2 ARG 9 HB2 ARG 9 -15.721 -10.945 0.859 12 HB3 ARG 9 HB1 ARG 9 -17.025 -10.128 0.009 13 HG2 ARG 9 HG2 ARG 9 -17.082 -12.002 -1.609 14 HG3 ARG 9 HG1 ARG 9 -15.875 -12.838 -0.628 15 HD2 ARG 9 HD2 ARG 9 -18.052 -13.652 0.012 16 HD3 ARG 9 HD1 ARG 9 -17.335 -12.623 1.270 17 HE ARG 9 HE ARG 9 -18.940 -11.036 -0.369 18 HH11 ARG 9 HH11 ARG 9 -19.350 -13.546 2.111 19 HH12 ARG 9 HH12 ARG 9 -20.854 -12.967 2.628 20 HH21 ARG 9 HH21 ARG 9 -20.967 -10.242 0.349 21 HH22 ARG 9 HH22 ARG 9 -21.828 -11.036 1.583 22 H GLU 10 HN GLU 10 -14.491 -8.224 -2.406 23 HA GLU 10 HA GLU 10 -13.859 -6.571 -0.104 24 HB2 GLU 10 HB2 GLU 10 -12.906 -6.438 -2.947 25 HB3 GLU 10 HB1 GLU 10 -12.515 -5.251 -1.717 26 HG2 GLU 10 HG2 GLU 10 -11.418 -6.976 -0.387 27 HG3 GLU 10 HG1 GLU 10 -11.831 -8.177 -1.610 28 H ASN 11 HN ASN 11 -14.688 -4.683 0.207 29 HA ASN 11 HA ASN 11 -15.895 -3.048 -1.718 30 HB2 ASN 11 HB2 ASN 11 -17.838 -4.574 -1.353 31 HB3 ASN 11 HB1 ASN 11 -17.759 -4.236 0.375 32 HD21 ASN 11 HD21 ASN 11 -19.858 -3.354 0.374 33 HD22 ASN 11 HD22 ASN 11 -20.179 -1.804 -0.314 34 H LEU 12 HN LEU 12 -14.568 -1.516 -0.980 35 HA LEU 12 HA LEU 12 -14.378 -1.029 1.859 36 HB2 LEU 12 HB2 LEU 12 -13.080 0.322 -0.512 37 HB3 LEU 12 HB1 LEU 12 -12.896 0.923 1.120 38 HG LEU 12 HG LEU 12 -11.887 -1.256 1.753 39 HD11 LEU 12 HD11 LEU 12 -11.004 -2.734 0.005 40 HD12 LEU 12 HD12 LEU 12 -11.844 -1.775 -1.215 41 HD13 LEU 12 HD13 LEU 12 -12.767 -2.677 -0.015 42 HD21 LEU 12 HD21 LEU 12 -10.498 0.662 1.280 43 HD22 LEU 12 HD22 LEU 12 -10.506 0.259 -0.436 44 HD23 LEU 12 HD23 LEU 12 -9.712 -0.815 0.716 45 H TYR 13 HN TYR 13 -16.106 -0.236 2.690 46 HA TYR 13 HA TYR 13 -17.724 1.505 1.049 47 HB2 TYR 13 HB2 TYR 13 -18.788 -0.490 2.075 48 HB3 TYR 13 HB1 TYR 13 -18.506 0.214 3.663 49 HD1 TYR 13 HD2 TYR 13 -20.182 0.923 0.417 50 HD2 TYR 13 HD1 TYR 13 -20.174 1.577 4.620 51 HE1 TYR 13 HE2 TYR 13 -22.323 2.115 0.232 52 HE2 TYR 13 HE1 TYR 13 -22.311 2.772 4.441 53 HH TYR 13 HH TYR 13 -23.525 4.020 2.694 54 H PHE 14 HN PHE 14 -15.868 2.988 1.487 55 HA PHE 14 HA PHE 14 -15.304 5.115 1.963 56 HB2 PHE 14 HB2 PHE 14 -18.135 5.408 2.945 57 HB3 PHE 14 HB1 PHE 14 -17.059 6.712 2.445 58 HD1 PHE 14 HD2 PHE 14 -16.151 6.572 -0.008 59 HD2 PHE 14 HD1 PHE 14 -19.544 4.422 1.406 60 HE1 PHE 14 HE2 PHE 14 -16.924 6.286 -2.313 61 HE2 PHE 14 HE1 PHE 14 -20.311 4.115 -0.901 62 HZ PHE 14 HZ PHE 14 -19.006 5.050 -2.769 63 H GLN 15 HN GLN 15 -16.716 3.616 4.791 64 HA GLN 15 HA GLN 15 -15.678 5.570 6.588 65 HB2 GLN 15 HB2 GLN 15 -17.841 4.372 6.965 66 HB3 GLN 15 HB1 GLN 15 -16.929 2.887 7.190 67 HG2 GLN 15 HG2 GLN 15 -15.863 3.792 9.151 68 HG3 GLN 15 HG1 GLN 15 -16.632 5.355 8.873 69 HE21 GLN 15 HE21 GLN 15 -17.114 2.091 9.916 70 HE22 GLN 15 HE22 GLN 15 -18.670 2.351 10.607 71 H GLY 16 HN GLY 16 -13.741 5.505 6.131 72 HA2 GLY 16 HA2 GLY 16 -11.590 4.928 7.280 73 HA3 GLY 16 HA1 GLY 16 -12.058 3.238 7.075 74 H HIS 17 HN HIS 17 -12.849 5.318 4.526 75 HA HIS 17 HA HIS 17 -10.507 4.663 2.922 76 HB2 HIS 17 HB2 HIS 17 -12.214 2.876 2.535 77 HB3 HIS 17 HB1 HIS 17 -13.426 4.098 2.227 78 HD1 HIS 17 HD1 HIS 17 -10.214 2.721 0.618 79 HD2 HIS 17 HD2 HIS 17 -13.711 4.754 -0.375 80 HE1 HIS 17 HE1 HIS 17 -10.254 2.868 -1.875 81 H MET 18 HN MET 18 -10.776 6.094 0.805 82 HA MET 18 HA MET 18 -11.351 8.765 1.634 83 HB2 MET 18 HB2 MET 18 -9.676 8.012 -0.200 84 HB3 MET 18 HB1 MET 18 -11.096 7.821 -1.227 85 HG2 MET 18 HG2 MET 18 -11.635 10.169 -0.963 86 HG3 MET 18 HG1 MET 18 -10.217 10.394 0.058 87 HE1 MET 18 HE1 MET 18 -7.688 9.986 -0.871 88 HE2 MET 18 HE2 MET 18 -7.314 9.651 -2.558 89 HE3 MET 18 HE3 MET 18 -8.124 8.428 -1.579 90 H ALA 19 HN ALA 19 -13.321 9.676 1.687 91 HA ALA 19 HA ALA 19 -15.568 8.067 1.048 92 HB1 ALA 19 HB1 ALA 19 -15.504 10.832 2.208 93 HB2 ALA 19 HB2 ALA 19 -15.422 9.321 3.114 94 HB3 ALA 19 HB3 ALA 19 -16.879 9.729 2.207 95 H ALA 20 HN ALA 20 -14.133 9.158 -1.166 96 HA ALA 20 HA ALA 20 -14.305 10.189 -3.161 97 HB1 ALA 20 HB1 ALA 20 -17.269 9.680 -2.846 98 HB2 ALA 20 HB2 ALA 20 -16.093 8.497 -3.415 99 HB3 ALA 20 HB3 ALA 20 -16.416 9.949 -4.367 100 HA PRO 21 HA PRO 21 -15.440 14.334 -1.589 101 HB2 PRO 21 HB2 PRO 21 -13.118 15.557 -2.175 102 HB3 PRO 21 HB1 PRO 21 -13.283 14.535 -0.725 103 HG2 PRO 21 HG2 PRO 21 -11.986 13.906 -3.314 104 HG3 PRO 21 HG1 PRO 21 -11.501 13.461 -1.668 105 HD2 PRO 21 HD2 PRO 21 -12.813 11.773 -3.398 106 HD3 PRO 21 HD1 PRO 21 -12.828 11.620 -1.633 107 H ALA 22 HN ALA 22 -14.437 13.115 -4.584 108 HA ALA 22 HA ALA 22 -14.767 15.600 -6.025 109 HB1 ALA 22 HB1 ALA 22 -14.118 12.840 -7.053 110 HB2 ALA 22 HB2 ALA 22 -12.944 14.100 -6.667 111 HB3 ALA 22 HB3 ALA 22 -14.083 14.331 -7.993 112 H ARG 23 HN ARG 23 -16.394 16.094 -7.223 113 HA ARG 23 HA ARG 23 -18.841 14.475 -7.048 114 HB2 ARG 23 HB2 ARG 23 -18.312 17.338 -7.864 115 HB3 ARG 23 HB1 ARG 23 -19.861 16.566 -8.113 116 HG2 ARG 23 HG2 ARG 23 -19.887 18.003 -6.164 117 HG3 ARG 23 HG1 ARG 23 -20.140 16.327 -5.704 118 HD2 ARG 23 HD2 ARG 23 -18.673 17.501 -4.134 119 HD3 ARG 23 HD1 ARG 23 -17.830 16.187 -4.936 120 HE ARG 23 HE ARG 23 -16.576 17.765 -6.179 121 HH11 ARG 23 HH11 ARG 23 -18.763 19.386 -3.927 122 HH12 ARG 23 HH12 ARG 23 -17.770 20.749 -3.733 123 HH21 ARG 23 HH21 ARG 23 -15.210 19.547 -5.870 124 HH22 ARG 23 HH22 ARG 23 -15.693 20.864 -4.888 125 H PHE 24 HN PHE 24 -16.791 16.183 -9.307 126 HA PHE 24 HA PHE 24 -17.709 14.463 -11.494 127 HB2 PHE 24 HB2 PHE 24 -17.236 17.453 -11.691 128 HB3 PHE 24 HB1 PHE 24 -17.708 16.365 -12.997 129 HD1 PHE 24 HD1 PHE 24 -20.019 15.535 -13.104 130 HD2 PHE 24 HD2 PHE 24 -18.785 18.357 -10.181 131 HE1 PHE 24 HE1 PHE 24 -22.364 16.121 -12.686 132 HE2 PHE 24 HE2 PHE 24 -21.122 18.944 -9.753 133 HZ PHE 24 HZ PHE 24 -22.916 17.828 -11.005 134 H CYS 25 HN CYS 25 -16.106 14.563 -13.227 135 HA CYS 25 HA CYS 25 -13.559 15.687 -12.377 136 HB2 CYS 25 HB2 CYS 25 -14.167 13.428 -14.305 137 HB3 CYS 25 HB1 CYS 25 -12.587 14.208 -14.178 138 H VAL 26 HN VAL 26 -12.762 17.235 -13.602 139 HA VAL 26 HA VAL 26 -14.444 18.358 -15.723 140 HB VAL 26 HB VAL 26 -11.846 19.460 -14.686 141 HG11 VAL 26 HG11 VAL 26 -12.851 21.605 -15.238 142 HG12 VAL 26 HG12 VAL 26 -14.314 20.772 -15.758 143 HG13 VAL 26 HG13 VAL 26 -12.797 20.515 -16.623 144 HG21 VAL 26 HG21 VAL 26 -13.124 19.011 -12.673 145 HG22 VAL 26 HG22 VAL 26 -14.527 19.834 -13.353 146 HG23 VAL 26 HG23 VAL 26 -13.068 20.751 -12.974 147 H TYR 27 HN TYR 27 -14.033 17.771 -17.728 148 HA TYR 27 HA TYR 27 -11.353 16.789 -18.327 149 HB2 TYR 27 HB2 TYR 27 -13.930 16.393 -19.851 150 HB3 TYR 27 HB1 TYR 27 -12.322 15.890 -20.392 151 HD1 TYR 27 HD1 TYR 27 -14.883 15.350 -17.775 152 HD2 TYR 27 HD2 TYR 27 -11.338 13.907 -19.599 153 HE1 TYR 27 HE1 TYR 27 -15.102 13.251 -16.533 154 HE2 TYR 27 HE2 TYR 27 -11.554 11.806 -18.366 155 HH TYR 27 HH TYR 27 -14.373 10.899 -16.750 156 H TYR 28 HN TYR 28 -10.129 17.601 -19.821 157 HA TYR 28 HA TYR 28 -11.098 19.939 -21.314 158 HB2 TYR 28 HB2 TYR 28 -8.326 19.642 -20.176 159 HB3 TYR 28 HB1 TYR 28 -9.005 21.019 -21.039 160 HD1 TYR 28 HD2 TYR 28 -10.529 22.548 -19.880 161 HD2 TYR 28 HD1 TYR 28 -8.671 19.309 -17.857 162 HE1 TYR 28 HE2 TYR 28 -11.010 23.620 -17.723 163 HE2 TYR 28 HE1 TYR 28 -9.145 20.374 -15.704 164 HH TYR 28 HH TYR 28 -9.549 22.589 -14.850 165 H ASP 29 HN ASP 29 -10.316 20.075 -23.332 166 HA ASP 29 HA ASP 29 -8.876 17.833 -24.504 167 HB2 ASP 29 HB2 ASP 29 -10.784 18.799 -25.734 168 HB3 ASP 29 HB1 ASP 29 -10.013 20.382 -25.636 169 H GLY 30 HN GLY 30 -6.828 17.951 -23.915 170 HA2 GLY 30 HA2 GLY 30 -4.733 18.853 -24.612 171 HA3 GLY 30 HA1 GLY 30 -5.365 20.480 -24.362 172 H HIS 31 HN HIS 31 -3.306 18.738 -23.281 173 HA HIS 31 HA HIS 31 -3.953 18.607 -20.427 174 HB2 HIS 31 HB2 HIS 31 -1.825 17.337 -20.226 175 HB3 HIS 31 HB1 HIS 31 -2.921 16.631 -21.423 176 HD1 HIS 31 HD1 HIS 31 0.499 17.965 -21.036 177 HD2 HIS 31 HD2 HIS 31 -2.114 17.114 -24.140 178 HE1 HIS 31 HE1 HIS 31 1.875 18.010 -23.147 179 H LEU 32 HN LEU 32 -2.979 20.937 -22.377 180 HA LEU 32 HA LEU 32 -0.733 21.856 -20.793 181 HB2 LEU 32 HB2 LEU 32 -0.670 21.657 -23.334 182 HB3 LEU 32 HB1 LEU 32 -1.821 22.974 -23.376 183 HG LEU 32 HG LEU 32 -0.191 24.398 -22.251 184 HD11 LEU 32 HD11 LEU 32 2.179 23.653 -22.157 185 HD12 LEU 32 HD12 LEU 32 1.672 22.045 -22.669 186 HD13 LEU 32 HD13 LEU 32 1.152 22.673 -21.112 187 HD21 LEU 32 HD21 LEU 32 1.304 24.680 -24.179 188 HD22 LEU 32 HD22 LEU 32 -0.378 24.458 -24.662 189 HD23 LEU 32 HD23 LEU 32 0.767 23.120 -24.800 190 HA PRO 33 HA PRO 33 -3.836 23.956 -18.471 191 HB2 PRO 33 HB2 PRO 33 -2.184 25.670 -17.093 192 HB3 PRO 33 HB1 PRO 33 -2.462 23.972 -16.663 193 HG2 PRO 33 HG2 PRO 33 -0.197 25.186 -18.119 194 HG3 PRO 33 HG1 PRO 33 -0.209 23.860 -16.948 195 HD2 PRO 33 HD2 PRO 33 0.024 23.423 -19.580 196 HD3 PRO 33 HD1 PRO 33 -0.818 22.276 -18.515 197 H ALA 34 HN ALA 34 -1.800 25.803 -20.597 198 HA ALA 34 HA ALA 34 -3.461 28.149 -20.134 199 HB1 ALA 34 HB1 ALA 34 -1.964 29.371 -21.561 200 HB2 ALA 34 HB2 ALA 34 -1.169 27.879 -22.060 201 HB3 ALA 34 HB3 ALA 34 -1.031 28.436 -20.394 202 H THR 35 HN THR 35 -3.552 25.498 -22.277 203 HA THR 35 HA THR 35 -5.356 27.049 -23.985 204 HB THR 35 HB THR 35 -3.127 26.974 -25.036 205 HG1 THR 35 HG1 THR 35 -5.167 25.529 -26.407 206 HG21 THR 35 HG21 THR 35 -2.310 24.863 -26.036 207 HG22 THR 35 HG22 THR 35 -3.627 23.999 -25.240 208 HG23 THR 35 HG23 THR 35 -2.380 24.788 -24.273 209 H ARG 36 HN ARG 36 -5.601 24.977 -21.933 210 HA ARG 36 HA ARG 36 -6.577 22.645 -23.242 211 HB2 ARG 36 HB2 ARG 36 -7.108 21.802 -21.084 212 HB3 ARG 36 HB1 ARG 36 -5.642 22.713 -20.912 213 HG2 ARG 36 HG2 ARG 36 -8.389 23.618 -20.012 214 HG3 ARG 36 HG1 ARG 36 -7.143 22.955 -18.979 215 HD2 ARG 36 HD2 ARG 36 -7.056 25.249 -18.588 216 HD3 ARG 36 HD1 ARG 36 -5.740 24.999 -19.734 217 HE ARG 36 HE ARG 36 -8.045 25.590 -21.162 218 HH11 ARG 36 HH11 ARG 36 -5.879 27.290 -18.934 219 HH12 ARG 36 HH12 ARG 36 -6.226 28.829 -19.562 220 HH21 ARG 36 HH21 ARG 36 -8.524 27.699 -22.007 221 HH22 ARG 36 HH22 ARG 36 -7.760 29.064 -21.343 222 H VAL 37 HN VAL 37 -8.593 22.288 -24.100 223 HA VAL 37 HA VAL 37 -10.482 24.493 -23.838 224 HB VAL 37 HB VAL 37 -10.790 21.992 -25.533 225 HG11 VAL 37 HG11 VAL 37 -12.431 23.253 -26.784 226 HG12 VAL 37 HG12 VAL 37 -12.216 24.607 -25.677 227 HG13 VAL 37 HG13 VAL 37 -12.884 23.086 -25.083 228 HG21 VAL 37 HG21 VAL 37 -9.741 24.696 -26.361 229 HG22 VAL 37 HG22 VAL 37 -10.068 23.346 -27.445 230 HG23 VAL 37 HG23 VAL 37 -8.792 23.217 -26.232 231 H LEU 38 HN LEU 38 -11.927 24.446 -22.289 232 HA LEU 38 HA LEU 38 -12.411 22.246 -20.606 233 HB2 LEU 38 HB2 LEU 38 -12.742 24.585 -19.897 234 HB3 LEU 38 HB1 LEU 38 -14.007 24.794 -21.074 235 HG LEU 38 HG LEU 38 -14.725 24.644 -18.655 236 HD11 LEU 38 HD11 LEU 38 -16.695 23.267 -19.041 237 HD12 LEU 38 HD12 LEU 38 -15.953 22.623 -20.508 238 HD13 LEU 38 HD13 LEU 38 -16.363 24.335 -20.406 239 HD21 LEU 38 HD21 LEU 38 -13.234 22.890 -17.926 240 HD22 LEU 38 HD22 LEU 38 -14.020 21.743 -19.011 241 HD23 LEU 38 HD23 LEU 38 -14.911 22.420 -17.652 242 H LEU 39 HN LEU 39 -13.617 20.492 -20.973 243 HA LEU 39 HA LEU 39 -15.350 20.559 -23.310 244 HB2 LEU 39 HB2 LEU 39 -14.197 18.243 -21.783 245 HB3 LEU 39 HB1 LEU 39 -15.215 18.098 -23.201 246 HG LEU 39 HG LEU 39 -12.494 19.406 -23.133 247 HD11 LEU 39 HD11 LEU 39 -13.370 16.760 -24.255 248 HD12 LEU 39 HD12 LEU 39 -12.376 17.005 -22.820 249 HD13 LEU 39 HD13 LEU 39 -11.761 17.468 -24.406 250 HD21 LEU 39 HD21 LEU 39 -14.344 18.805 -25.443 251 HD22 LEU 39 HD22 LEU 39 -12.699 19.413 -25.581 252 HD23 LEU 39 HD23 LEU 39 -13.936 20.405 -24.822 253 H MET 40 HN MET 40 -15.455 19.000 -20.029 254 HA MET 40 HA MET 40 -17.999 19.919 -19.373 255 HB2 MET 40 HB2 MET 40 -19.364 17.919 -19.728 256 HB3 MET 40 HB1 MET 40 -18.830 18.621 -21.261 257 HG2 MET 40 HG2 MET 40 -17.138 16.911 -21.458 258 HG3 MET 40 HG1 MET 40 -17.605 16.269 -19.890 259 HE1 MET 40 HE1 MET 40 -19.927 17.640 -22.777 260 HE2 MET 40 HE2 MET 40 -20.258 16.155 -23.671 261 HE3 MET 40 HE3 MET 40 -18.624 16.806 -23.623 262 H TYR 41 HN TYR 41 -18.952 18.779 -17.685 263 HA TYR 41 HA TYR 41 -16.940 17.639 -15.875 264 HB2 TYR 41 HB2 TYR 41 -19.625 18.941 -15.378 265 HB3 TYR 41 HB1 TYR 41 -18.638 18.191 -14.122 266 HD1 TYR 41 HD1 TYR 41 -18.620 20.944 -16.658 267 HD2 TYR 41 HD2 TYR 41 -17.047 19.461 -12.996 268 HE1 TYR 41 HE1 TYR 41 -17.500 23.101 -16.267 269 HE2 TYR 41 HE2 TYR 41 -15.926 21.607 -12.604 270 HH TYR 41 HH TYR 41 -16.659 24.378 -14.351 271 H VAL 42 HN VAL 42 -17.091 15.486 -15.573 272 HA VAL 42 HA VAL 42 -19.683 14.198 -16.152 273 HB VAL 42 HB VAL 42 -16.951 12.892 -16.087 274 HG11 VAL 42 HG11 VAL 42 -18.068 10.973 -17.141 275 HG12 VAL 42 HG12 VAL 42 -19.619 11.798 -16.968 276 HG13 VAL 42 HG13 VAL 42 -18.708 11.327 -15.536 277 HG21 VAL 42 HG21 VAL 42 -17.139 12.762 -18.527 278 HG22 VAL 42 HG22 VAL 42 -17.108 14.433 -17.959 279 HG23 VAL 42 HG23 VAL 42 -18.631 13.697 -18.458 280 H ARG 43 HN ARG 43 -20.764 13.343 -14.508 281 HA ARG 43 HA ARG 43 -19.918 13.562 -11.852 282 HB2 ARG 43 HB2 ARG 43 -22.286 13.578 -12.554 283 HB3 ARG 43 HB1 ARG 43 -22.144 11.910 -13.074 284 HG2 ARG 43 HG2 ARG 43 -23.263 11.925 -10.982 285 HG3 ARG 43 HG1 ARG 43 -21.637 11.300 -10.707 286 HD2 ARG 43 HD2 ARG 43 -20.960 13.587 -9.983 287 HD3 ARG 43 HD1 ARG 43 -22.648 14.074 -10.120 288 HE ARG 43 HE ARG 43 -22.084 11.782 -8.441 289 HH11 ARG 43 HH11 ARG 43 -22.976 15.209 -8.548 290 HH12 ARG 43 HH12 ARG 43 -23.144 15.365 -6.864 291 HH21 ARG 43 HH21 ARG 43 -22.319 11.995 -6.113 292 HH22 ARG 43 HH22 ARG 43 -22.761 13.489 -5.433 293 H ILE 44 HN ILE 44 -18.832 12.236 -10.641 294 HA ILE 44 HA ILE 44 -17.402 10.023 -11.522 295 HB ILE 44 HB ILE 44 -18.254 10.697 -8.694 296 HG12 ILE 44 HG12 ILE 44 -16.977 12.368 -9.883 297 HG13 ILE 44 HG11 ILE 44 -16.055 11.746 -8.498 298 HG21 ILE 44 HG21 ILE 44 -16.094 8.783 -9.595 299 HG22 ILE 44 HG22 ILE 44 -17.621 8.348 -8.826 300 HG23 ILE 44 HG23 ILE 44 -16.418 9.271 -7.927 301 HD11 ILE 44 HD11 ILE 44 -15.694 11.202 -11.442 302 HD12 ILE 44 HD12 ILE 44 -14.859 10.296 -10.190 303 HD13 ILE 44 HD13 ILE 44 -14.578 12.031 -10.357 304 H GLY 45 HN GLY 45 -17.998 8.151 -12.118 305 HA2 GLY 45 HA2 GLY 45 -18.917 5.996 -11.558 306 HA3 GLY 45 HA1 GLY 45 -20.271 6.833 -10.817 307 H THR 46 HN THR 46 -20.205 8.690 -13.260 308 HA THR 46 HA THR 46 -22.024 6.965 -14.778 309 HB THR 46 HB THR 46 -23.011 9.059 -15.622 310 HG1 THR 46 HG1 THR 46 -20.845 10.159 -14.231 311 HG21 THR 46 HG21 THR 46 -24.046 9.815 -13.526 312 HG22 THR 46 HG22 THR 46 -22.797 8.978 -12.607 313 HG23 THR 46 HG23 THR 46 -23.942 8.054 -13.580 314 H THR 47 HN THR 47 -22.207 7.325 -16.998 315 HA THR 47 HA THR 47 -19.611 7.615 -18.282 316 HB THR 47 HB THR 47 -20.761 6.776 -20.265 317 HG1 THR 47 HG1 THR 47 -22.811 5.639 -19.787 318 HG21 THR 47 HG21 THR 47 -20.870 5.004 -17.831 319 HG22 THR 47 HG22 THR 47 -19.530 5.197 -18.968 320 HG23 THR 47 HG23 THR 47 -21.018 4.414 -19.482 321 H ALA 48 HN ALA 48 -19.435 8.862 -20.068 322 HA ALA 48 HA ALA 48 -21.596 10.633 -20.826 323 HB1 ALA 48 HB1 ALA 48 -20.351 12.698 -20.498 324 HB2 ALA 48 HB2 ALA 48 -19.032 11.793 -19.753 325 HB3 ALA 48 HB3 ALA 48 -20.612 11.862 -18.968 326 H THR 49 HN THR 49 -21.288 11.633 -22.764 327 HA THR 49 HA THR 49 -19.223 10.451 -24.416 328 HB THR 49 HB THR 49 -21.593 12.171 -25.199 329 HG1 THR 49 HG1 THR 49 -21.692 9.809 -24.188 330 HG21 THR 49 HG21 THR 49 -21.212 11.197 -27.436 331 HG22 THR 49 HG22 THR 49 -19.817 10.319 -26.811 332 HG23 THR 49 HG23 THR 49 -19.796 12.080 -26.873 333 H ILE 50 HN ILE 50 -17.408 11.610 -24.437 334 HA ILE 50 HA ILE 50 -17.431 14.506 -23.997 335 HB ILE 50 HB ILE 50 -15.097 12.700 -24.601 336 HG12 ILE 50 HG12 ILE 50 -16.264 11.800 -22.622 337 HG13 ILE 50 HG11 ILE 50 -14.666 12.431 -22.215 338 HG21 ILE 50 HG21 ILE 50 -15.238 15.354 -23.196 339 HG22 ILE 50 HG22 ILE 50 -14.639 15.044 -24.828 340 HG23 ILE 50 HG23 ILE 50 -13.771 14.398 -23.434 341 HD11 ILE 50 HD11 ILE 50 -16.305 12.986 -20.519 342 HD12 ILE 50 HD12 ILE 50 -17.315 13.785 -21.723 343 HD13 ILE 50 HD13 ILE 50 -15.728 14.446 -21.318 344 H THR 51 HN THR 51 -16.749 15.805 -25.673 345 HA THR 51 HA THR 51 -16.138 14.516 -28.232 346 HB THR 51 HB THR 51 -17.967 16.916 -27.912 347 HG1 THR 51 HG1 THR 51 -18.368 14.330 -27.615 348 HG21 THR 51 HG21 THR 51 -16.712 16.857 -30.054 349 HG22 THR 51 HG22 THR 51 -18.430 16.563 -30.309 350 HG23 THR 51 HG23 THR 51 -17.293 15.218 -30.339 351 H ALA 52 HN ALA 52 -14.181 15.047 -28.712 352 HA ALA 52 HA ALA 52 -13.321 17.808 -28.357 353 HB1 ALA 52 HB1 ALA 52 -12.526 16.653 -26.385 354 HB2 ALA 52 HB2 ALA 52 -11.164 17.051 -27.437 355 HB3 ALA 52 HB3 ALA 52 -11.797 15.403 -27.385 356 H ARG 53 HN ARG 53 -12.198 18.527 -29.997 357 HA ARG 53 HA ARG 53 -11.346 18.733 -32.053 358 HB2 ARG 53 HB2 ARG 53 -10.104 16.064 -31.391 359 HB3 ARG 53 HB1 ARG 53 -9.703 17.001 -32.841 360 HG2 ARG 53 HG2 ARG 53 -9.048 18.873 -31.340 361 HG3 ARG 53 HG1 ARG 53 -9.306 17.765 -29.979 362 HD2 ARG 53 HD2 ARG 53 -7.421 17.223 -32.274 363 HD3 ARG 53 HD1 ARG 53 -6.912 18.003 -30.771 364 HE ARG 53 HE ARG 53 -7.303 16.007 -29.632 365 HH11 ARG 53 HH11 ARG 53 -7.750 15.573 -33.144 366 HH12 ARG 53 HH12 ARG 53 -7.336 13.931 -33.147 367 HH21 ARG 53 HH21 ARG 53 -6.651 13.676 -29.694 368 HH22 ARG 53 HH22 ARG 53 -6.721 12.835 -31.168 369 H GLY 54 HN GLY 54 -13.854 17.521 -31.671 370 HA2 GLY 54 HA2 GLY 54 -15.528 17.118 -33.264 371 HA3 GLY 54 HA1 GLY 54 -14.270 16.686 -34.427 372 H HIS 55 HN HIS 55 -13.498 14.955 -31.744 373 HA HIS 55 HA HIS 55 -14.975 12.664 -32.795 374 HB2 HIS 55 HB2 HIS 55 -12.358 12.828 -31.311 375 HB3 HIS 55 HB1 HIS 55 -13.250 11.317 -31.511 376 HD1 HIS 55 HD1 HIS 55 -12.808 10.050 -33.639 377 HD2 HIS 55 HD2 HIS 55 -11.497 13.986 -33.815 378 HE1 HIS 55 HE1 HIS 55 -11.481 10.251 -35.771 379 H GLU 56 HN GLU 56 -16.191 11.453 -31.527 380 HA GLU 56 HA GLU 56 -16.729 12.472 -28.862 381 HB2 GLU 56 HB2 GLU 56 -18.241 10.490 -30.571 382 HB3 GLU 56 HB1 GLU 56 -18.740 11.084 -28.982 383 HG2 GLU 56 HG2 GLU 56 -18.965 13.318 -29.849 384 HG3 GLU 56 HG1 GLU 56 -18.351 12.802 -31.418 385 H PHE 57 HN PHE 57 -16.129 11.384 -27.127 386 HA PHE 57 HA PHE 57 -15.103 8.659 -27.395 387 HB2 PHE 57 HB2 PHE 57 -14.210 10.879 -25.544 388 HB3 PHE 57 HB1 PHE 57 -13.548 9.242 -25.621 389 HD1 PHE 57 HD2 PHE 57 -12.194 8.570 -27.601 390 HD2 PHE 57 HD1 PHE 57 -13.552 12.569 -27.046 391 HE1 PHE 57 HE2 PHE 57 -10.566 9.358 -29.270 392 HE2 PHE 57 HE1 PHE 57 -11.935 13.356 -28.710 393 HZ PHE 57 HZ PHE 57 -10.441 11.759 -29.829 394 H GLU 58 HN GLU 58 -16.497 7.359 -26.351 395 HA GLU 58 HA GLU 58 -18.206 8.429 -24.274 396 HB2 GLU 58 HB2 GLU 58 -19.046 6.841 -26.008 397 HB3 GLU 58 HB1 GLU 58 -17.995 5.602 -25.319 398 HG2 GLU 58 HG2 GLU 58 -19.202 5.735 -23.235 399 HG3 GLU 58 HG1 GLU 58 -20.214 6.986 -23.974 400 H VAL 59 HN VAL 59 -17.396 8.628 -22.331 401 HA VAL 59 HA VAL 59 -15.323 6.732 -21.427 402 HB VAL 59 HB VAL 59 -14.304 8.460 -20.171 403 HG11 VAL 59 HG11 VAL 59 -13.678 10.178 -21.804 404 HG12 VAL 59 HG12 VAL 59 -14.977 9.617 -22.857 405 HG13 VAL 59 HG13 VAL 59 -13.631 8.548 -22.466 406 HG21 VAL 59 HG21 VAL 59 -16.605 10.287 -20.882 407 HG22 VAL 59 HG22 VAL 59 -15.151 10.783 -20.015 408 HG23 VAL 59 HG23 VAL 59 -16.254 9.608 -19.293 409 H GLU 60 HN GLU 60 -15.359 6.252 -19.213 410 HA GLU 60 HA GLU 60 -17.773 7.100 -17.811 411 HB2 GLU 60 HB2 GLU 60 -17.804 4.612 -18.299 412 HB3 GLU 60 HB1 GLU 60 -16.325 4.485 -17.345 413 HG2 GLU 60 HG2 GLU 60 -17.447 5.208 -15.356 414 HG3 GLU 60 HG1 GLU 60 -18.910 5.582 -16.254 415 H ALA 61 HN ALA 61 -17.378 8.255 -16.124 416 HA ALA 61 HA ALA 61 -14.653 8.556 -15.181 417 HB1 ALA 61 HB1 ALA 61 -17.235 9.651 -14.012 418 HB2 ALA 61 HB2 ALA 61 -16.172 10.507 -15.126 419 HB3 ALA 61 HB3 ALA 61 -15.611 10.112 -13.502 420 H LYS 62 HN LYS 62 -14.061 6.585 -14.494 421 HA LYS 62 HA LYS 62 -15.685 4.718 -13.138 422 HB2 LYS 62 HB2 LYS 62 -12.683 4.855 -13.158 423 HB3 LYS 62 HB1 LYS 62 -13.656 3.443 -12.808 424 HG2 LYS 62 HG2 LYS 62 -13.483 4.868 -15.455 425 HG3 LYS 62 HG1 LYS 62 -12.648 3.375 -14.991 426 HD2 LYS 62 HD2 LYS 62 -15.642 3.741 -15.134 427 HD3 LYS 62 HD1 LYS 62 -14.658 2.989 -16.385 428 HE2 LYS 62 HE2 LYS 62 -13.974 1.252 -14.793 429 HE3 LYS 62 HE1 LYS 62 -14.967 2.003 -13.543 430 HZ1 LYS 62 HZ1 LYS 62 -16.883 1.674 -14.993 431 HZ2 LYS 62 HZ2 LYS 62 -16.191 0.214 -14.510 432 HZ3 LYS 62 HZ3 LYS 62 -15.929 0.797 -16.072 433 H ASP 63 HN ASP 63 -12.971 6.633 -11.976 434 HA ASP 63 HA ASP 63 -13.901 6.039 -9.270 435 HB2 ASP 63 HB2 ASP 63 -11.986 4.646 -9.807 436 HB3 ASP 63 HB1 ASP 63 -11.068 6.065 -10.291 437 H GLN 64 HN GLN 64 -13.437 7.540 -7.717 438 HA GLN 64 HA GLN 64 -13.701 10.228 -8.518 439 HB2 GLN 64 HB2 GLN 64 -13.583 10.685 -6.014 440 HB3 GLN 64 HB1 GLN 64 -14.898 9.684 -6.595 441 HG2 GLN 64 HG2 GLN 64 -14.320 8.381 -4.862 442 HG3 GLN 64 HG1 GLN 64 -13.111 7.772 -5.970 443 HE21 GLN 64 HE21 GLN 64 -11.456 10.324 -5.654 444 HE22 GLN 64 HE22 GLN 64 -10.749 10.077 -4.100 445 H ASN 65 HN ASN 65 -10.916 8.537 -8.515 446 HA ASN 65 HA ASN 65 -9.332 10.930 -7.907 447 HB2 ASN 65 HB2 ASN 65 -8.581 8.708 -6.984 448 HB3 ASN 65 HB1 ASN 65 -8.420 8.115 -8.641 449 HD21 ASN 65 HD21 ASN 65 -7.107 10.255 -6.218 450 HD22 ASN 65 HD22 ASN 65 -5.555 10.431 -6.952 451 H CYS 66 HN CYS 66 -11.218 10.249 -10.160 452 HA CYS 66 HA CYS 66 -11.562 10.660 -12.264 453 HB2 CYS 66 HB2 CYS 66 -9.093 12.353 -12.012 454 HB3 CYS 66 HB1 CYS 66 -10.073 12.288 -13.489 455 H LYS 67 HN LYS 67 -11.063 8.396 -12.131 456 HA LYS 67 HA LYS 67 -8.991 7.661 -14.053 457 HB2 LYS 67 HB2 LYS 67 -10.650 6.241 -12.144 458 HB3 LYS 67 HB1 LYS 67 -10.096 5.327 -13.564 459 HG2 LYS 67 HG2 LYS 67 -8.811 5.055 -11.363 460 HG3 LYS 67 HG1 LYS 67 -7.868 5.412 -12.804 461 HD2 LYS 67 HD2 LYS 67 -8.797 7.728 -11.368 462 HD3 LYS 67 HD1 LYS 67 -7.618 6.756 -10.423 463 HE2 LYS 67 HE2 LYS 67 -6.171 6.875 -12.449 464 HE3 LYS 67 HE1 LYS 67 -7.453 7.863 -13.161 465 HZ1 LYS 67 HZ1 LYS 67 -5.895 8.580 -10.726 466 HZ2 LYS 67 HZ2 LYS 67 -7.030 9.559 -11.450 467 HZ3 LYS 67 HZ3 LYS 67 -5.588 9.188 -12.259 468 H VAL 68 HN VAL 68 -9.470 8.165 -15.803 469 HA VAL 68 HA VAL 68 -12.167 7.740 -16.745 470 HB VAL 68 HB VAL 68 -11.502 9.974 -17.152 471 HG11 VAL 68 HG11 VAL 68 -9.120 9.809 -16.997 472 HG12 VAL 68 HG12 VAL 68 -9.541 10.605 -18.515 473 HG13 VAL 68 HG13 VAL 68 -9.046 8.912 -18.509 474 HG21 VAL 68 HG21 VAL 68 -11.410 8.378 -19.708 475 HG22 VAL 68 HG22 VAL 68 -11.598 10.129 -19.652 476 HG23 VAL 68 HG23 VAL 68 -12.824 9.086 -18.927 477 H ILE 69 HN ILE 69 -12.444 5.815 -17.280 478 HA ILE 69 HA ILE 69 -10.757 4.657 -19.354 479 HB ILE 69 HB ILE 69 -12.225 3.249 -17.081 480 HG12 ILE 69 HG12 ILE 69 -9.937 2.066 -16.900 481 HG13 ILE 69 HG11 ILE 69 -9.343 3.350 -17.925 482 HG21 ILE 69 HG21 ILE 69 -12.736 2.025 -19.110 483 HG22 ILE 69 HG22 ILE 69 -11.641 1.099 -18.084 484 HG23 ILE 69 HG23 ILE 69 -11.020 1.934 -19.504 485 HD11 ILE 69 HD11 ILE 69 -8.849 3.802 -15.599 486 HD12 ILE 69 HD12 ILE 69 -10.561 3.709 -15.196 487 HD13 ILE 69 HD13 ILE 69 -9.967 5.004 -16.238 488 H LEU 70 HN LEU 70 -11.884 3.965 -21.125 489 HA LEU 70 HA LEU 70 -14.451 5.160 -21.452 490 HB2 LEU 70 HB2 LEU 70 -13.261 3.180 -23.325 491 HB3 LEU 70 HB1 LEU 70 -14.412 4.433 -23.679 492 HG LEU 70 HG LEU 70 -11.557 4.783 -23.016 493 HD11 LEU 70 HD11 LEU 70 -11.325 5.523 -25.387 494 HD12 LEU 70 HD12 LEU 70 -13.033 5.167 -25.631 495 HD13 LEU 70 HD13 LEU 70 -11.909 3.862 -25.267 496 HD21 LEU 70 HD21 LEU 70 -13.600 6.844 -23.780 497 HD22 LEU 70 HD22 LEU 70 -11.866 7.153 -23.656 498 HD23 LEU 70 HD23 LEU 70 -12.786 6.670 -22.225 499 H THR 71 HN THR 71 -15.988 3.785 -22.662 500 HA THR 71 HA THR 71 -16.950 1.755 -20.856 501 HB THR 71 HB THR 71 -18.821 1.635 -22.598 502 HG1 THR 71 HG1 THR 71 -18.796 3.426 -24.029 503 HG21 THR 71 HG21 THR 71 -18.146 4.305 -21.343 504 HG22 THR 71 HG22 THR 71 -19.006 2.981 -20.551 505 HG23 THR 71 HG23 THR 71 -19.740 3.819 -21.915 506 H ASN 72 HN ASN 72 -15.173 1.957 -23.665 507 HA ASN 72 HA ASN 72 -15.497 -0.739 -24.606 508 HB2 ASN 72 HB2 ASN 72 -13.340 1.282 -25.254 509 HB3 ASN 72 HB1 ASN 72 -13.591 -0.254 -26.093 510 HD21 ASN 72 HD21 ASN 72 -14.630 3.045 -25.737 511 HD22 ASN 72 HD22 ASN 72 -15.775 3.004 -27.005 512 H GLY 73 HN GLY 73 -13.817 0.719 -22.057 513 HA2 GLY 73 HA2 GLY 73 -12.697 -0.405 -20.406 514 HA3 GLY 73 HA1 GLY 73 -12.435 -1.761 -21.521 515 H LYS 74 HN LYS 74 -11.821 1.277 -22.825 516 HA LYS 74 HA LYS 74 -8.968 0.701 -22.739 517 HB2 LYS 74 HB2 LYS 74 -10.476 2.512 -24.631 518 HB3 LYS 74 HB1 LYS 74 -8.818 1.963 -24.781 519 HG2 LYS 74 HG2 LYS 74 -11.262 0.201 -24.987 520 HG3 LYS 74 HG1 LYS 74 -10.313 0.812 -26.343 521 HD2 LYS 74 HD2 LYS 74 -8.396 -0.461 -25.627 522 HD3 LYS 74 HD1 LYS 74 -9.223 -0.956 -24.149 523 HE2 LYS 74 HE2 LYS 74 -9.233 -2.751 -25.809 524 HE3 LYS 74 HE1 LYS 74 -10.865 -2.187 -25.466 525 HZ1 LYS 74 HZ1 LYS 74 -10.530 -2.538 -27.808 526 HZ2 LYS 74 HZ2 LYS 74 -9.252 -1.439 -27.852 527 HZ3 LYS 74 HZ3 LYS 74 -10.815 -0.911 -27.516 528 H GLN 75 HN GLN 75 -7.576 2.426 -22.296 529 HA GLN 75 HA GLN 75 -8.757 4.329 -20.503 530 HB2 GLN 75 HB2 GLN 75 -5.855 3.830 -21.166 531 HB3 GLN 75 HB1 GLN 75 -6.433 4.971 -19.964 532 HG2 GLN 75 HG2 GLN 75 -7.501 3.088 -18.758 533 HG3 GLN 75 HG1 GLN 75 -6.762 1.981 -19.915 534 HE21 GLN 75 HE21 GLN 75 -4.529 1.652 -19.836 535 HE22 GLN 75 HE22 GLN 75 -3.593 2.171 -18.488 536 H ALA 76 HN ALA 76 -8.277 6.497 -20.560 537 HA ALA 76 HA ALA 76 -8.912 7.709 -23.017 538 HB1 ALA 76 HB1 ALA 76 -9.737 8.555 -20.919 539 HB2 ALA 76 HB2 ALA 76 -8.768 9.796 -21.736 540 HB3 ALA 76 HB3 ALA 76 -8.088 8.889 -20.389 541 HA PRO 77 HA PRO 77 -4.894 8.897 -24.608 542 HB2 PRO 77 HB2 PRO 77 -5.691 11.291 -25.712 543 HB3 PRO 77 HB1 PRO 77 -5.853 9.708 -26.507 544 HG2 PRO 77 HG2 PRO 77 -7.892 11.389 -25.250 545 HG3 PRO 77 HG1 PRO 77 -8.051 10.158 -26.521 546 HD2 PRO 77 HD2 PRO 77 -8.782 9.854 -23.882 547 HD3 PRO 77 HD1 PRO 77 -8.495 8.507 -24.996 548 H ASP 78 HN ASP 78 -3.276 10.327 -24.337 549 HA ASP 78 HA ASP 78 -2.830 11.312 -21.769 550 HB2 ASP 78 HB2 ASP 78 -1.420 12.052 -24.333 551 HB3 ASP 78 HB1 ASP 78 -0.826 12.412 -22.718 552 H TRP 79 HN TRP 79 -3.823 12.957 -24.662 553 HA TRP 79 HA TRP 79 -3.509 15.580 -23.629 554 HB2 TRP 79 HB2 TRP 79 -4.629 16.291 -25.752 555 HB3 TRP 79 HB1 TRP 79 -3.283 15.175 -25.996 556 HD1 TRP 79 HD1 TRP 79 -3.794 12.938 -27.070 557 HE1 TRP 79 HE1 TRP 79 -5.851 11.914 -28.229 558 HE3 TRP 79 HE3 TRP 79 -7.261 16.317 -25.567 559 HZ2 TRP 79 HZ2 TRP 79 -8.617 12.492 -28.443 560 HZ3 TRP 79 HZ3 TRP 79 -9.589 16.022 -26.275 561 HH2 TRP 79 HH2 TRP 79 -10.248 14.142 -27.688 562 H LEU 80 HN LEU 80 -5.989 13.256 -23.266 563 HA LEU 80 HA LEU 80 -8.031 15.247 -22.812 564 HB2 LEU 80 HB2 LEU 80 -8.637 13.065 -23.823 565 HB3 LEU 80 HB1 LEU 80 -8.049 12.247 -22.374 566 HG LEU 80 HG LEU 80 -9.820 13.318 -21.063 567 HD11 LEU 80 HD11 LEU 80 -10.140 15.351 -22.350 568 HD12 LEU 80 HD12 LEU 80 -11.665 14.480 -22.202 569 HD13 LEU 80 HD13 LEU 80 -10.756 14.412 -23.711 570 HD21 LEU 80 HD21 LEU 80 -10.798 11.820 -23.493 571 HD22 LEU 80 HD22 LEU 80 -11.728 12.081 -22.023 572 HD23 LEU 80 HD23 LEU 80 -10.255 11.117 -21.967 573 H ALA 81 HN ALA 81 -7.927 16.317 -21.009 574 HA ALA 81 HA ALA 81 -6.402 15.155 -18.811 575 HB1 ALA 81 HB1 ALA 81 -7.126 18.032 -19.344 576 HB2 ALA 81 HB2 ALA 81 -5.567 17.276 -19.672 577 HB3 ALA 81 HB3 ALA 81 -6.130 17.452 -18.011 578 H ALA 82 HN ALA 82 -7.313 14.779 -16.907 579 HA ALA 82 HA ALA 82 -10.048 15.761 -16.475 580 HB1 ALA 82 HB1 ALA 82 -10.547 13.667 -15.311 581 HB2 ALA 82 HB2 ALA 82 -8.929 13.069 -15.688 582 HB3 ALA 82 HB3 ALA 82 -10.087 13.365 -16.986 583 H GLU 83 HN GLU 83 -10.263 16.861 -14.676 584 HA GLU 83 HA GLU 83 -8.258 16.603 -12.540 585 HB2 GLU 83 HB2 GLU 83 -9.768 19.077 -13.443 586 HB3 GLU 83 HB1 GLU 83 -8.663 19.007 -12.078 587 HG2 GLU 83 HG2 GLU 83 -7.824 18.414 -14.904 588 HG3 GLU 83 HG1 GLU 83 -7.758 20.022 -14.194 589 HA PRO 84 HA PRO 84 -11.909 15.385 -10.241 590 HB2 PRO 84 HB2 PRO 84 -10.829 15.674 -7.730 591 HB3 PRO 84 HB1 PRO 84 -10.475 14.284 -8.777 592 HG2 PRO 84 HG2 PRO 84 -8.905 16.761 -8.331 593 HG3 PRO 84 HG1 PRO 84 -8.360 15.070 -8.385 594 HD2 PRO 84 HD2 PRO 84 -8.001 16.592 -10.510 595 HD3 PRO 84 HD1 PRO 84 -8.585 14.901 -10.607 596 H TYR 85 HN TYR 85 -13.649 16.579 -9.841 597 HA TYR 85 HA TYR 85 -13.248 19.301 -9.081 598 HB2 TYR 85 HB2 TYR 85 -14.698 18.914 -11.018 599 HB3 TYR 85 HB1 TYR 85 -15.781 17.928 -10.031 600 HD1 TYR 85 HD1 TYR 85 -17.303 18.990 -8.437 601 HD2 TYR 85 HD2 TYR 85 -14.685 21.322 -10.830 602 HE1 TYR 85 HE1 TYR 85 -18.578 21.001 -7.845 603 HE2 TYR 85 HE2 TYR 85 -15.948 23.349 -10.247 604 HH TYR 85 HH TYR 85 -18.439 23.768 -9.491 Start of MODEL 12 1 H SER 7 HT1 SER 7 10.773 18.140 -25.576 2 HA SER 7 HA SER 7 7.948 18.639 -24.998 3 HB2 SER 7 HB2 SER 7 9.100 20.513 -26.205 4 HB3 SER 7 HB1 SER 7 9.601 19.350 -27.443 5 HG SER 7 HG SER 7 7.794 20.311 -28.191 6 H GLY 8 HN GLY 8 7.009 16.689 -25.138 7 HA2 GLY 8 HA2 GLY 8 6.879 15.235 -27.464 8 HA3 GLY 8 HA1 GLY 8 8.180 14.530 -26.504 9 H ARG 9 HN ARG 9 7.646 13.019 -25.133 10 HA ARG 9 HA ARG 9 4.812 12.635 -24.568 11 HB2 ARG 9 HB2 ARG 9 6.229 10.986 -25.823 12 HB3 ARG 9 HB1 ARG 9 7.044 10.638 -24.309 13 HG2 ARG 9 HG2 ARG 9 4.085 10.304 -24.757 14 HG3 ARG 9 HG1 ARG 9 5.255 9.026 -25.021 15 HD2 ARG 9 HD2 ARG 9 5.909 9.265 -22.616 16 HD3 ARG 9 HD1 ARG 9 4.572 10.394 -22.419 17 HE ARG 9 HE ARG 9 3.961 7.811 -23.556 18 HH11 ARG 9 HH11 ARG 9 3.827 9.861 -20.651 19 HH12 ARG 9 HH12 ARG 9 2.807 8.812 -19.793 20 HH21 ARG 9 HH21 ARG 9 2.550 6.380 -22.367 21 HH22 ARG 9 HH22 ARG 9 2.058 6.802 -20.790 22 H GLU 10 HN GLU 10 4.973 14.217 -22.998 23 HA GLU 10 HA GLU 10 5.815 13.115 -20.432 24 HB2 GLU 10 HB2 GLU 10 7.652 14.628 -21.126 25 HB3 GLU 10 HB1 GLU 10 6.491 15.954 -21.211 26 HG2 GLU 10 HG2 GLU 10 5.991 15.544 -18.795 27 HG3 GLU 10 HG1 GLU 10 7.327 14.408 -18.771 28 H ASN 11 HN ASN 11 4.069 13.032 -19.320 29 HA ASN 11 HA ASN 11 2.503 15.465 -18.997 30 HB2 ASN 11 HB2 ASN 11 1.161 13.826 -20.360 31 HB3 ASN 11 HB1 ASN 11 1.342 12.644 -19.072 32 HD21 ASN 11 HD21 ASN 11 -0.937 12.537 -18.848 33 HD22 ASN 11 HD22 ASN 11 -1.817 13.796 -18.079 34 H LEU 12 HN LEU 12 3.689 15.937 -17.211 35 HA LEU 12 HA LEU 12 4.469 14.193 -15.163 36 HB2 LEU 12 HB2 LEU 12 5.332 16.489 -15.530 37 HB3 LEU 12 HB1 LEU 12 3.801 17.122 -14.961 38 HG LEU 12 HG LEU 12 4.219 15.866 -12.835 39 HD11 LEU 12 HD11 LEU 12 7.000 15.650 -13.947 40 HD12 LEU 12 HD12 LEU 12 5.906 14.325 -13.551 41 HD13 LEU 12 HD13 LEU 12 6.553 15.347 -12.269 42 HD21 LEU 12 HD21 LEU 12 4.455 18.277 -12.958 43 HD22 LEU 12 HD22 LEU 12 6.102 18.106 -13.567 44 HD23 LEU 12 HD23 LEU 12 5.715 17.604 -11.921 45 H TYR 13 HN TYR 13 3.237 12.997 -14.007 46 HA TYR 13 HA TYR 13 0.497 13.694 -13.534 47 HB2 TYR 13 HB2 TYR 13 2.128 11.299 -12.702 48 HB3 TYR 13 HB1 TYR 13 0.432 11.515 -12.293 49 HD1 TYR 13 HD1 TYR 13 -1.269 11.548 -14.121 50 HD2 TYR 13 HD2 TYR 13 2.789 10.525 -14.845 51 HE1 TYR 13 HE1 TYR 13 -1.919 10.508 -16.251 52 HE2 TYR 13 HE2 TYR 13 2.151 9.480 -16.977 53 HH TYR 13 HH TYR 13 -0.987 9.881 -18.333 54 H PHE 14 HN PHE 14 -0.409 14.219 -11.683 55 HA PHE 14 HA PHE 14 1.355 14.773 -9.425 56 HB2 PHE 14 HB2 PHE 14 -1.370 16.020 -10.004 57 HB3 PHE 14 HB1 PHE 14 -0.202 16.514 -8.778 58 HD1 PHE 14 HD1 PHE 14 1.972 17.518 -9.487 59 HD2 PHE 14 HD2 PHE 14 -1.253 16.898 -12.189 60 HE1 PHE 14 HE1 PHE 14 2.989 19.104 -11.060 61 HE2 PHE 14 HE2 PHE 14 -0.238 18.481 -13.772 62 HZ PHE 14 HZ PHE 14 1.885 19.582 -13.211 63 H GLN 15 HN GLN 15 1.198 12.888 -8.297 64 HA GLN 15 HA GLN 15 -1.417 11.803 -7.840 65 HB2 GLN 15 HB2 GLN 15 -0.419 10.699 -9.821 66 HB3 GLN 15 HB1 GLN 15 0.969 10.254 -8.848 67 HG2 GLN 15 HG2 GLN 15 -0.455 8.869 -7.439 68 HG3 GLN 15 HG1 GLN 15 -1.860 9.330 -8.401 69 HE21 GLN 15 HE21 GLN 15 -0.753 6.703 -7.952 70 HE22 GLN 15 HE22 GLN 15 -0.311 6.075 -9.506 71 H GLY 16 HN GLY 16 -1.461 11.947 -5.848 72 HA2 GLY 16 HA2 GLY 16 -0.463 10.348 -3.944 73 HA3 GLY 16 HA1 GLY 16 0.856 11.499 -4.106 74 H HIS 17 HN HIS 17 -2.591 12.333 -4.425 75 HA HIS 17 HA HIS 17 -2.775 13.327 -1.812 76 HB2 HIS 17 HB2 HIS 17 -3.194 15.560 -2.556 77 HB3 HIS 17 HB1 HIS 17 -1.503 15.152 -2.877 78 HD1 HIS 17 HD1 HIS 17 -0.817 15.171 -5.442 79 HD2 HIS 17 HD2 HIS 17 -4.802 16.122 -4.735 80 HE1 HIS 17 HE1 HIS 17 -1.729 16.063 -7.609 81 H MET 18 HN MET 18 -4.959 14.524 -1.838 82 HA MET 18 HA MET 18 -6.698 13.534 -3.966 83 HB2 MET 18 HB2 MET 18 -7.371 13.914 -1.038 84 HB3 MET 18 HB1 MET 18 -8.575 13.727 -2.294 85 HG2 MET 18 HG2 MET 18 -7.637 11.488 -2.786 86 HG3 MET 18 HG1 MET 18 -6.551 11.692 -1.410 87 HE1 MET 18 HE1 MET 18 -8.553 9.244 -1.729 88 HE2 MET 18 HE2 MET 18 -9.227 9.110 -0.104 89 HE3 MET 18 HE3 MET 18 -7.504 9.419 -0.322 90 H ALA 19 HN ALA 19 -7.616 15.125 -5.050 91 HA ALA 19 HA ALA 19 -7.352 17.787 -4.002 92 HB1 ALA 19 HB1 ALA 19 -6.658 17.405 -6.316 93 HB2 ALA 19 HB2 ALA 19 -8.058 18.477 -6.288 94 HB3 ALA 19 HB3 ALA 19 -8.256 16.776 -6.707 95 H ALA 20 HN ALA 20 -8.904 16.620 -2.412 96 HA ALA 20 HA ALA 20 -10.849 16.449 -1.350 97 HB1 ALA 20 HB1 ALA 20 -12.004 18.206 -3.529 98 HB2 ALA 20 HB2 ALA 20 -11.234 18.786 -2.051 99 HB3 ALA 20 HB3 ALA 20 -12.740 17.872 -1.961 100 HA PRO 21 HA PRO 21 -12.979 13.104 -3.313 101 HB2 PRO 21 HB2 PRO 21 -15.234 12.912 -1.792 102 HB3 PRO 21 HB1 PRO 21 -13.647 12.344 -1.222 103 HG2 PRO 21 HG2 PRO 21 -15.124 14.792 -0.498 104 HG3 PRO 21 HG1 PRO 21 -14.007 13.801 0.460 105 HD2 PRO 21 HD2 PRO 21 -13.345 16.209 -0.711 106 HD3 PRO 21 HD1 PRO 21 -12.191 14.963 -0.207 107 H ALA 22 HN ALA 22 -13.300 14.270 -5.167 108 HA ALA 22 HA ALA 22 -15.439 16.038 -5.664 109 HB1 ALA 22 HB1 ALA 22 -13.346 16.083 -6.877 110 HB2 ALA 22 HB2 ALA 22 -14.718 15.878 -7.968 111 HB3 ALA 22 HB3 ALA 22 -13.698 14.497 -7.557 112 H ARG 23 HN ARG 23 -17.246 15.729 -6.961 113 HA ARG 23 HA ARG 23 -18.089 12.923 -7.237 114 HB2 ARG 23 HB2 ARG 23 -19.914 15.319 -6.907 115 HB3 ARG 23 HB1 ARG 23 -20.403 13.629 -6.947 116 HG2 ARG 23 HG2 ARG 23 -19.047 13.276 -4.875 117 HG3 ARG 23 HG1 ARG 23 -18.812 15.023 -4.811 118 HD2 ARG 23 HD2 ARG 23 -20.619 14.540 -3.365 119 HD3 ARG 23 HD1 ARG 23 -21.326 15.226 -4.824 120 HE ARG 23 HE ARG 23 -21.189 12.422 -5.015 121 HH11 ARG 23 HH11 ARG 23 -23.103 15.012 -3.566 122 HH12 ARG 23 HH12 ARG 23 -24.481 14.059 -3.291 123 HH21 ARG 23 HH21 ARG 23 -23.056 11.057 -4.569 124 HH22 ARG 23 HH22 ARG 23 -24.452 11.721 -3.869 125 H PHE 24 HN PHE 24 -16.980 15.503 -8.919 126 HA PHE 24 HA PHE 24 -18.155 14.519 -11.378 127 HB2 PHE 24 HB2 PHE 24 -17.892 17.443 -10.606 128 HB3 PHE 24 HB1 PHE 24 -18.181 16.871 -12.248 129 HD1 PHE 24 HD2 PHE 24 -19.635 17.236 -8.887 130 HD2 PHE 24 HD1 PHE 24 -20.346 16.169 -12.939 131 HE1 PHE 24 HE2 PHE 24 -22.052 17.319 -8.479 132 HE2 PHE 24 HE1 PHE 24 -22.770 16.251 -12.536 133 HZ PHE 24 HZ PHE 24 -23.617 16.829 -10.298 134 H CYS 25 HN CYS 25 -16.772 15.047 -13.184 135 HA CYS 25 HA CYS 25 -14.046 15.792 -12.462 136 HB2 CYS 25 HB2 CYS 25 -15.034 13.713 -14.406 137 HB3 CYS 25 HB1 CYS 25 -13.372 14.310 -14.351 138 H VAL 26 HN VAL 26 -13.094 17.206 -13.838 139 HA VAL 26 HA VAL 26 -14.743 18.249 -16.003 140 HB VAL 26 HB VAL 26 -12.957 20.147 -15.951 141 HG11 VAL 26 HG11 VAL 26 -14.939 19.809 -13.689 142 HG12 VAL 26 HG12 VAL 26 -15.290 20.475 -15.286 143 HG13 VAL 26 HG13 VAL 26 -14.218 21.338 -14.184 144 HG21 VAL 26 HG21 VAL 26 -11.982 20.580 -13.755 145 HG22 VAL 26 HG22 VAL 26 -11.397 19.065 -14.457 146 HG23 VAL 26 HG23 VAL 26 -12.605 19.032 -13.176 147 H TYR 27 HN TYR 27 -14.233 17.719 -17.981 148 HA TYR 27 HA TYR 27 -11.559 16.630 -18.472 149 HB2 TYR 27 HB2 TYR 27 -14.118 16.355 -20.057 150 HB3 TYR 27 HB1 TYR 27 -12.529 15.883 -20.663 151 HD1 TYR 27 HD2 TYR 27 -14.792 15.264 -17.742 152 HD2 TYR 27 HD1 TYR 27 -11.797 13.730 -20.337 153 HE1 TYR 27 HE2 TYR 27 -15.010 13.053 -16.688 154 HE2 TYR 27 HE1 TYR 27 -12.009 11.524 -19.289 155 HH TYR 27 HH TYR 27 -14.580 10.686 -17.275 156 H TYR 28 HN TYR 28 -10.241 17.374 -19.981 157 HA TYR 28 HA TYR 28 -10.956 19.937 -21.239 158 HB2 TYR 28 HB2 TYR 28 -8.292 19.205 -20.027 159 HB3 TYR 28 HB1 TYR 28 -8.689 20.689 -20.899 160 HD1 TYR 28 HD1 TYR 28 -9.291 18.772 -17.817 161 HD2 TYR 28 HD2 TYR 28 -9.672 22.522 -19.768 162 HE1 TYR 28 HE1 TYR 28 -9.816 19.830 -15.677 163 HE2 TYR 28 HE2 TYR 28 -10.202 23.590 -17.617 164 HH TYR 28 HH TYR 28 -9.627 21.955 -14.719 165 H ASP 29 HN ASP 29 -10.197 20.248 -23.202 166 HA ASP 29 HA ASP 29 -8.976 18.098 -24.733 167 HB2 ASP 29 HB2 ASP 29 -10.754 19.594 -25.702 168 HB3 ASP 29 HB1 ASP 29 -9.658 20.962 -25.475 169 H GLY 30 HN GLY 30 -6.855 17.893 -24.174 170 HA2 GLY 30 HA2 GLY 30 -4.675 18.663 -24.557 171 HA3 GLY 30 HA1 GLY 30 -5.176 20.315 -24.180 172 H HIS 31 HN HIS 31 -3.151 18.629 -23.037 173 HA HIS 31 HA HIS 31 -4.234 18.354 -20.306 174 HB2 HIS 31 HB2 HIS 31 -2.531 16.692 -19.790 175 HB3 HIS 31 HB1 HIS 31 -3.400 16.218 -21.255 176 HD1 HIS 31 HD1 HIS 31 -0.049 16.705 -19.914 177 HD2 HIS 31 HD2 HIS 31 -1.835 16.740 -23.652 178 HE1 HIS 31 HE1 HIS 31 1.820 16.427 -21.567 179 H LEU 32 HN LEU 32 -2.749 20.517 -21.966 180 HA LEU 32 HA LEU 32 -0.621 21.125 -20.090 181 HB2 LEU 32 HB2 LEU 32 -0.340 21.342 -22.597 182 HB3 LEU 32 HB1 LEU 32 -1.498 22.656 -22.540 183 HG LEU 32 HG LEU 32 0.039 23.822 -20.961 184 HD11 LEU 32 HD11 LEU 32 2.398 23.128 -20.945 185 HD12 LEU 32 HD12 LEU 32 1.971 21.696 -21.879 186 HD13 LEU 32 HD13 LEU 32 1.366 21.879 -20.242 187 HD21 LEU 32 HD21 LEU 32 1.042 23.203 -23.724 188 HD22 LEU 32 HD22 LEU 32 1.572 24.563 -22.733 189 HD23 LEU 32 HD23 LEU 32 -0.107 24.466 -23.276 190 HA PRO 33 HA PRO 33 -3.577 23.179 -17.510 191 HB2 PRO 33 HB2 PRO 33 -1.726 25.107 -16.554 192 HB3 PRO 33 HB1 PRO 33 -2.185 23.582 -15.778 193 HG2 PRO 33 HG2 PRO 33 0.190 24.213 -17.375 194 HG3 PRO 33 HG1 PRO 33 -0.044 22.978 -16.127 195 HD2 PRO 33 HD2 PRO 33 0.154 22.392 -18.727 196 HD3 PRO 33 HD1 PRO 33 -0.845 21.425 -17.618 197 H ALA 34 HN ALA 34 -1.554 25.265 -19.519 198 HA ALA 34 HA ALA 34 -3.472 27.405 -19.236 199 HB1 ALA 34 HB1 ALA 34 -1.096 27.922 -19.335 200 HB2 ALA 34 HB2 ALA 34 -1.980 28.708 -20.646 201 HB3 ALA 34 HB3 ALA 34 -1.028 27.255 -20.962 202 H THR 35 HN THR 35 -2.314 25.393 -21.953 203 HA THR 35 HA THR 35 -4.129 26.673 -23.760 204 HB THR 35 HB THR 35 -2.380 24.266 -24.272 205 HG1 THR 35 HG1 THR 35 -1.753 27.042 -24.359 206 HG21 THR 35 HG21 THR 35 -2.247 25.224 -26.534 207 HG22 THR 35 HG22 THR 35 -3.269 26.573 -26.034 208 HG23 THR 35 HG23 THR 35 -3.930 24.937 -26.092 209 H ARG 36 HN ARG 36 -4.789 24.446 -21.486 210 HA ARG 36 HA ARG 36 -6.184 22.474 -23.012 211 HB2 ARG 36 HB2 ARG 36 -6.903 21.612 -20.851 212 HB3 ARG 36 HB1 ARG 36 -5.207 22.026 -20.802 213 HG2 ARG 36 HG2 ARG 36 -5.711 24.138 -19.707 214 HG3 ARG 36 HG1 ARG 36 -7.425 23.724 -19.714 215 HD2 ARG 36 HD2 ARG 36 -6.916 21.752 -18.348 216 HD3 ARG 36 HD1 ARG 36 -5.220 22.239 -18.297 217 HE ARG 36 HE ARG 36 -6.799 24.378 -17.520 218 HH11 ARG 36 HH11 ARG 36 -5.589 21.305 -16.285 219 HH12 ARG 36 HH12 ARG 36 -6.006 21.590 -14.658 220 HH21 ARG 36 HH21 ARG 36 -7.338 24.839 -15.227 221 HH22 ARG 36 HH22 ARG 36 -6.960 23.671 -14.040 222 H VAL 37 HN VAL 37 -8.362 22.321 -23.379 223 HA VAL 37 HA VAL 37 -9.949 24.757 -22.850 224 HB VAL 37 HB VAL 37 -10.422 22.674 -25.005 225 HG11 VAL 37 HG11 VAL 37 -12.446 23.829 -24.346 226 HG12 VAL 37 HG12 VAL 37 -11.964 24.290 -25.980 227 HG13 VAL 37 HG13 VAL 37 -11.669 25.388 -24.631 228 HG21 VAL 37 HG21 VAL 37 -9.584 24.323 -26.616 229 HG22 VAL 37 HG22 VAL 37 -8.335 23.867 -25.455 230 HG23 VAL 37 HG23 VAL 37 -9.172 25.410 -25.293 231 H LEU 38 HN LEU 38 -11.479 24.487 -21.330 232 HA LEU 38 HA LEU 38 -12.118 21.948 -20.243 233 HB2 LEU 38 HB2 LEU 38 -12.211 24.095 -18.969 234 HB3 LEU 38 HB1 LEU 38 -13.576 24.595 -19.928 235 HG LEU 38 HG LEU 38 -14.088 23.832 -17.570 236 HD11 LEU 38 HD11 LEU 38 -16.090 22.566 -18.121 237 HD12 LEU 38 HD12 LEU 38 -15.482 22.319 -19.758 238 HD13 LEU 38 HD13 LEU 38 -15.863 23.947 -19.197 239 HD21 LEU 38 HD21 LEU 38 -13.467 21.112 -18.696 240 HD22 LEU 38 HD22 LEU 38 -14.210 21.448 -17.131 241 HD23 LEU 38 HD23 LEU 38 -12.552 21.963 -17.449 242 H LEU 39 HN LEU 39 -13.441 20.484 -20.963 243 HA LEU 39 HA LEU 39 -15.126 21.114 -23.237 244 HB2 LEU 39 HB2 LEU 39 -14.285 18.503 -22.019 245 HB3 LEU 39 HB1 LEU 39 -15.325 18.647 -23.420 246 HG LEU 39 HG LEU 39 -12.489 19.666 -23.293 247 HD11 LEU 39 HD11 LEU 39 -13.605 17.172 -24.558 248 HD12 LEU 39 HD12 LEU 39 -12.573 17.239 -23.131 249 HD13 LEU 39 HD13 LEU 39 -11.945 17.753 -24.695 250 HD21 LEU 39 HD21 LEU 39 -14.444 19.370 -25.576 251 HD22 LEU 39 HD22 LEU 39 -12.750 19.803 -25.752 252 HD23 LEU 39 HD23 LEU 39 -13.846 20.886 -24.898 253 H MET 40 HN MET 40 -15.512 19.157 -20.239 254 HA MET 40 HA MET 40 -18.099 20.203 -19.648 255 HB2 MET 40 HB2 MET 40 -19.429 18.240 -20.136 256 HB3 MET 40 HB1 MET 40 -18.757 18.911 -21.626 257 HG2 MET 40 HG2 MET 40 -17.038 17.178 -21.596 258 HG3 MET 40 HG1 MET 40 -17.732 16.571 -20.094 259 HE1 MET 40 HE1 MET 40 -20.094 15.379 -19.928 260 HE2 MET 40 HE2 MET 40 -21.195 15.170 -21.285 261 HE3 MET 40 HE3 MET 40 -20.890 16.782 -20.644 262 H TYR 41 HN TYR 41 -19.192 19.018 -18.062 263 HA TYR 41 HA TYR 41 -17.371 17.948 -16.038 264 HB2 TYR 41 HB2 TYR 41 -20.282 18.767 -15.900 265 HB3 TYR 41 HB1 TYR 41 -19.303 18.220 -14.538 266 HD1 TYR 41 HD1 TYR 41 -17.668 19.713 -13.540 267 HD2 TYR 41 HD2 TYR 41 -20.057 20.997 -16.804 268 HE1 TYR 41 HE1 TYR 41 -17.076 22.041 -13.059 269 HE2 TYR 41 HE2 TYR 41 -19.465 23.329 -16.333 270 HH TYR 41 HH TYR 41 -18.702 24.659 -14.398 271 H VAL 42 HN VAL 42 -17.715 15.940 -15.186 272 HA VAL 42 HA VAL 42 -19.874 14.289 -16.312 273 HB VAL 42 HB VAL 42 -16.987 13.390 -15.993 274 HG11 VAL 42 HG11 VAL 42 -17.728 11.247 -16.947 275 HG12 VAL 42 HG12 VAL 42 -19.396 11.818 -16.915 276 HG13 VAL 42 HG13 VAL 42 -18.515 11.588 -15.406 277 HG21 VAL 42 HG21 VAL 42 -18.670 13.714 -18.472 278 HG22 VAL 42 HG22 VAL 42 -17.040 13.040 -18.411 279 HG23 VAL 42 HG23 VAL 42 -17.312 14.733 -17.994 280 H ARG 43 HN ARG 43 -21.027 13.433 -14.742 281 HA ARG 43 HA ARG 43 -20.405 13.567 -12.018 282 HB2 ARG 43 HB2 ARG 43 -22.683 13.495 -12.806 283 HB3 ARG 43 HB1 ARG 43 -22.413 11.945 -13.576 284 HG2 ARG 43 HG2 ARG 43 -23.664 11.538 -11.602 285 HG3 ARG 43 HG1 ARG 43 -22.029 10.974 -11.316 286 HD2 ARG 43 HD2 ARG 43 -21.515 12.953 -10.034 287 HD3 ARG 43 HD1 ARG 43 -23.105 13.632 -10.405 288 HE ARG 43 HE ARG 43 -23.114 11.043 -9.150 289 HH11 ARG 43 HH11 ARG 43 -23.226 14.535 -8.521 290 HH12 ARG 43 HH12 ARG 43 -24.104 14.365 -7.071 291 HH21 ARG 43 HH21 ARG 43 -24.317 10.846 -7.178 292 HH22 ARG 43 HH22 ARG 43 -24.726 12.262 -6.306 293 H ILE 44 HN ILE 44 -19.068 12.350 -10.914 294 HA ILE 44 HA ILE 44 -17.819 10.022 -11.925 295 HB ILE 44 HB ILE 44 -17.941 11.116 -9.093 296 HG12 ILE 44 HG12 ILE 44 -15.791 11.261 -11.215 297 HG13 ILE 44 HG11 ILE 44 -16.825 12.585 -10.697 298 HG21 ILE 44 HG21 ILE 44 -17.484 8.720 -9.033 299 HG22 ILE 44 HG22 ILE 44 -16.045 9.637 -8.587 300 HG23 ILE 44 HG23 ILE 44 -16.173 8.927 -10.194 301 HD11 ILE 44 HD11 ILE 44 -15.810 12.517 -8.486 302 HD12 ILE 44 HD12 ILE 44 -14.596 12.752 -9.746 303 HD13 ILE 44 HD13 ILE 44 -14.796 11.168 -8.995 304 H GLY 45 HN GLY 45 -18.539 8.056 -11.965 305 HA2 GLY 45 HA2 GLY 45 -19.626 6.230 -10.789 306 HA3 GLY 45 HA1 GLY 45 -20.875 7.385 -10.320 307 H THR 46 HN THR 46 -20.410 8.594 -13.125 308 HA THR 46 HA THR 46 -22.084 6.618 -14.531 309 HB THR 46 HB THR 46 -23.231 8.486 -15.635 310 HG1 THR 46 HG1 THR 46 -21.373 9.999 -14.219 311 HG21 THR 46 HG21 THR 46 -24.598 9.243 -13.733 312 HG22 THR 46 HG22 THR 46 -23.367 8.646 -12.619 313 HG23 THR 46 HG23 THR 46 -24.259 7.514 -13.633 314 H THR 47 HN THR 47 -22.165 6.960 -16.795 315 HA THR 47 HA THR 47 -19.519 7.520 -17.884 316 HB THR 47 HB THR 47 -20.372 6.489 -19.921 317 HG1 THR 47 HG1 THR 47 -22.731 6.716 -18.662 318 HG21 THR 47 HG21 THR 47 -19.159 5.078 -18.362 319 HG22 THR 47 HG22 THR 47 -20.455 4.141 -19.107 320 HG23 THR 47 HG23 THR 47 -20.640 4.750 -17.462 321 H ALA 48 HN ALA 48 -19.378 8.736 -19.738 322 HA ALA 48 HA ALA 48 -21.620 10.376 -20.585 323 HB1 ALA 48 HB1 ALA 48 -20.498 12.508 -20.192 324 HB2 ALA 48 HB2 ALA 48 -19.168 11.669 -19.391 325 HB3 ALA 48 HB3 ALA 48 -20.779 11.657 -18.672 326 H THR 49 HN THR 49 -21.292 11.316 -22.561 327 HA THR 49 HA THR 49 -19.029 10.214 -24.007 328 HB THR 49 HB THR 49 -21.395 11.705 -25.130 329 HG1 THR 49 HG1 THR 49 -21.195 9.081 -24.121 330 HG21 THR 49 HG21 THR 49 -19.522 9.644 -26.319 331 HG22 THR 49 HG22 THR 49 -19.454 11.381 -26.617 332 HG23 THR 49 HG23 THR 49 -20.845 10.447 -27.169 333 H ILE 50 HN ILE 50 -17.345 11.494 -24.154 334 HA ILE 50 HA ILE 50 -17.576 14.414 -23.938 335 HB ILE 50 HB ILE 50 -15.078 12.797 -24.396 336 HG12 ILE 50 HG12 ILE 50 -16.189 11.852 -22.412 337 HG13 ILE 50 HG11 ILE 50 -14.681 12.667 -21.987 338 HG21 ILE 50 HG21 ILE 50 -15.513 15.475 -23.097 339 HG22 ILE 50 HG22 ILE 50 -14.845 15.175 -24.702 340 HG23 ILE 50 HG23 ILE 50 -13.953 14.667 -23.267 341 HD11 ILE 50 HD11 ILE 50 -15.983 14.593 -21.211 342 HD12 ILE 50 HD12 ILE 50 -16.407 13.105 -20.363 343 HD13 ILE 50 HD13 ILE 50 -17.473 13.737 -21.621 344 H THR 51 HN THR 51 -16.976 15.661 -25.677 345 HA THR 51 HA THR 51 -16.274 14.253 -28.138 346 HB THR 51 HB THR 51 -18.255 16.537 -28.053 347 HG1 THR 51 HG1 THR 51 -18.563 13.793 -27.728 348 HG21 THR 51 HG21 THR 51 -17.572 14.523 -30.208 349 HG22 THR 51 HG22 THR 51 -17.042 16.203 -30.182 350 HG23 THR 51 HG23 THR 51 -18.757 15.824 -30.350 351 H ALA 52 HN ALA 52 -14.298 14.965 -28.550 352 HA ALA 52 HA ALA 52 -13.843 17.854 -28.394 353 HB1 ALA 52 HB1 ALA 52 -12.737 16.802 -26.484 354 HB2 ALA 52 HB2 ALA 52 -11.549 17.433 -27.623 355 HB3 ALA 52 HB3 ALA 52 -11.888 15.706 -27.568 356 H ARG 53 HN ARG 53 -12.962 18.664 -30.156 357 HA ARG 53 HA ARG 53 -12.401 18.889 -32.326 358 HB2 ARG 53 HB2 ARG 53 -10.780 16.387 -31.930 359 HB3 ARG 53 HB1 ARG 53 -10.544 17.612 -33.181 360 HG2 ARG 53 HG2 ARG 53 -10.014 19.235 -31.396 361 HG3 ARG 53 HG1 ARG 53 -10.110 17.902 -30.224 362 HD2 ARG 53 HD2 ARG 53 -8.155 18.297 -32.473 363 HD3 ARG 53 HD1 ARG 53 -7.859 18.140 -30.729 364 HE ARG 53 HE ARG 53 -9.096 15.868 -32.015 365 HH11 ARG 53 HH11 ARG 53 -6.044 17.201 -30.814 366 HH12 ARG 53 HH12 ARG 53 -5.201 15.735 -30.967 367 HH21 ARG 53 HH21 ARG 53 -7.944 13.911 -32.253 368 HH22 ARG 53 HH22 ARG 53 -6.293 13.810 -31.844 369 H GLY 54 HN GLY 54 -14.669 17.302 -31.652 370 HA2 GLY 54 HA2 GLY 54 -16.346 16.329 -32.947 371 HA3 GLY 54 HA1 GLY 54 -15.147 16.043 -34.212 372 H HIS 55 HN HIS 55 -13.616 14.793 -31.607 373 HA HIS 55 HA HIS 55 -14.383 12.112 -32.354 374 HB2 HIS 55 HB2 HIS 55 -12.400 12.940 -30.226 375 HB3 HIS 55 HB1 HIS 55 -12.528 11.372 -31.018 376 HD1 HIS 55 HD1 HIS 55 -11.788 11.542 -33.765 377 HD2 HIS 55 HD2 HIS 55 -10.506 14.482 -31.129 378 HE1 HIS 55 HE1 HIS 55 -9.834 12.682 -34.871 379 H GLU 56 HN GLU 56 -15.651 10.879 -31.186 380 HA GLU 56 HA GLU 56 -16.746 11.979 -28.721 381 HB2 GLU 56 HB2 GLU 56 -17.718 9.831 -30.582 382 HB3 GLU 56 HB1 GLU 56 -18.514 10.271 -29.062 383 HG2 GLU 56 HG2 GLU 56 -18.921 12.481 -29.874 384 HG3 GLU 56 HG1 GLU 56 -17.994 12.150 -31.337 385 H PHE 57 HN PHE 57 -16.172 11.137 -26.847 386 HA PHE 57 HA PHE 57 -14.907 8.489 -26.756 387 HB2 PHE 57 HB2 PHE 57 -14.513 10.831 -24.894 388 HB3 PHE 57 HB1 PHE 57 -13.609 9.316 -24.939 389 HD1 PHE 57 HD1 PHE 57 -12.037 8.918 -26.851 390 HD2 PHE 57 HD2 PHE 57 -13.930 12.667 -26.211 391 HE1 PHE 57 HE1 PHE 57 -10.387 10.002 -28.316 392 HE2 PHE 57 HE2 PHE 57 -12.294 13.751 -27.668 393 HZ PHE 57 HZ PHE 57 -10.529 12.435 -28.730 394 H GLU 58 HN GLU 58 -16.578 7.217 -26.027 395 HA GLU 58 HA GLU 58 -18.396 8.176 -23.988 396 HB2 GLU 58 HB2 GLU 58 -18.973 6.492 -25.750 397 HB3 GLU 58 HB1 GLU 58 -17.896 5.341 -24.942 398 HG2 GLU 58 HG2 GLU 58 -20.072 4.785 -24.251 399 HG3 GLU 58 HG1 GLU 58 -19.367 5.672 -22.900 400 H VAL 59 HN VAL 59 -17.558 8.445 -22.018 401 HA VAL 59 HA VAL 59 -15.348 6.685 -21.214 402 HB VAL 59 HB VAL 59 -14.433 8.457 -19.873 403 HG11 VAL 59 HG11 VAL 59 -13.676 8.420 -22.141 404 HG12 VAL 59 HG12 VAL 59 -13.802 10.097 -21.605 405 HG13 VAL 59 HG13 VAL 59 -15.042 9.408 -22.655 406 HG21 VAL 59 HG21 VAL 59 -16.731 10.188 -20.793 407 HG22 VAL 59 HG22 VAL 59 -15.328 10.761 -19.889 408 HG23 VAL 59 HG23 VAL 59 -16.444 9.611 -19.150 409 H GLU 60 HN GLU 60 -15.339 5.909 -19.149 410 HA GLU 60 HA GLU 60 -17.724 6.360 -17.496 411 HB2 GLU 60 HB2 GLU 60 -17.210 4.009 -18.092 412 HB3 GLU 60 HB1 GLU 60 -15.609 4.200 -17.367 413 HG2 GLU 60 HG2 GLU 60 -16.664 4.569 -15.182 414 HG3 GLU 60 HG1 GLU 60 -18.250 4.333 -15.918 415 H ALA 61 HN ALA 61 -17.449 7.762 -15.846 416 HA ALA 61 HA ALA 61 -14.714 8.216 -14.858 417 HB1 ALA 61 HB1 ALA 61 -15.688 10.152 -13.661 418 HB2 ALA 61 HB2 ALA 61 -17.286 9.711 -14.265 419 HB3 ALA 61 HB3 ALA 61 -16.032 10.231 -15.389 420 H LYS 62 HN LYS 62 -14.146 6.795 -13.280 421 HA LYS 62 HA LYS 62 -16.321 5.732 -11.711 422 HB2 LYS 62 HB2 LYS 62 -14.795 3.908 -11.118 423 HB3 LYS 62 HB1 LYS 62 -15.172 4.029 -12.830 424 HG2 LYS 62 HG2 LYS 62 -13.027 5.168 -13.160 425 HG3 LYS 62 HG1 LYS 62 -12.638 4.887 -11.454 426 HD2 LYS 62 HD2 LYS 62 -13.152 2.767 -13.555 427 HD3 LYS 62 HD1 LYS 62 -11.587 3.182 -12.867 428 HE2 LYS 62 HE2 LYS 62 -12.433 2.484 -10.641 429 HE3 LYS 62 HE1 LYS 62 -13.940 1.986 -11.401 430 HZ1 LYS 62 HZ1 LYS 62 -11.260 0.889 -11.987 431 HZ2 LYS 62 HZ2 LYS 62 -12.693 0.384 -12.724 432 HZ3 LYS 62 HZ3 LYS 62 -12.444 0.139 -11.073 433 H ASP 63 HN ASP 63 -13.181 7.353 -11.036 434 HA ASP 63 HA ASP 63 -14.105 7.492 -8.255 435 HB2 ASP 63 HB2 ASP 63 -11.973 6.939 -7.356 436 HB3 ASP 63 HB1 ASP 63 -12.358 5.693 -8.538 437 H GLN 64 HN GLN 64 -12.294 8.988 -7.051 438 HA GLN 64 HA GLN 64 -12.789 11.459 -8.363 439 HB2 GLN 64 HB2 GLN 64 -11.944 12.492 -6.196 440 HB3 GLN 64 HB1 GLN 64 -13.461 11.620 -6.166 441 HG2 GLN 64 HG2 GLN 64 -12.116 11.196 -4.168 442 HG3 GLN 64 HG1 GLN 64 -12.362 9.726 -5.100 443 HE21 GLN 64 HE21 GLN 64 -10.074 12.184 -4.197 444 HE22 GLN 64 HE22 GLN 64 -8.666 11.267 -4.632 445 H ASN 65 HN ASN 65 -10.133 9.485 -8.661 446 HA ASN 65 HA ASN 65 -8.347 11.750 -9.036 447 HB2 ASN 65 HB2 ASN 65 -8.050 8.810 -9.723 448 HB3 ASN 65 HB1 ASN 65 -6.843 10.034 -10.124 449 HD21 ASN 65 HD21 ASN 65 -8.284 8.145 -7.721 450 HD22 ASN 65 HD22 ASN 65 -7.167 8.453 -6.431 451 H CYS 66 HN CYS 66 -10.910 10.397 -10.495 452 HA CYS 66 HA CYS 66 -11.914 10.500 -12.435 453 HB2 CYS 66 HB2 CYS 66 -9.931 12.715 -12.921 454 HB3 CYS 66 HB1 CYS 66 -11.299 12.362 -13.992 455 H LYS 67 HN LYS 67 -10.293 8.462 -12.139 456 HA LYS 67 HA LYS 67 -8.552 8.004 -14.183 457 HB2 LYS 67 HB2 LYS 67 -9.083 6.691 -12.007 458 HB3 LYS 67 HB1 LYS 67 -10.350 5.964 -12.996 459 HG2 LYS 67 HG2 LYS 67 -8.377 4.542 -12.795 460 HG3 LYS 67 HG1 LYS 67 -8.720 5.013 -14.465 461 HD2 LYS 67 HD2 LYS 67 -7.058 6.833 -12.997 462 HD3 LYS 67 HD1 LYS 67 -6.277 5.247 -13.277 463 HE2 LYS 67 HE2 LYS 67 -6.723 5.464 -15.641 464 HE3 LYS 67 HE1 LYS 67 -7.630 6.943 -15.332 465 HZ1 LYS 67 HZ1 LYS 67 -5.359 7.330 -16.209 466 HZ2 LYS 67 HZ2 LYS 67 -4.710 6.573 -14.836 467 HZ3 LYS 67 HZ3 LYS 67 -5.589 8.023 -14.689 468 H VAL 68 HN VAL 68 -9.201 8.247 -16.243 469 HA VAL 68 HA VAL 68 -11.937 7.770 -16.949 470 HB VAL 68 HB VAL 68 -11.075 9.858 -17.712 471 HG11 VAL 68 HG11 VAL 68 -8.703 9.414 -17.683 472 HG12 VAL 68 HG12 VAL 68 -9.175 10.080 -19.248 473 HG13 VAL 68 HG13 VAL 68 -8.864 8.352 -19.081 474 HG21 VAL 68 HG21 VAL 68 -11.366 9.688 -20.168 475 HG22 VAL 68 HG22 VAL 68 -12.597 8.837 -19.240 476 HG23 VAL 68 HG23 VAL 68 -11.293 7.930 -20.012 477 H ILE 69 HN ILE 69 -12.562 5.878 -17.541 478 HA ILE 69 HA ILE 69 -10.860 4.349 -19.369 479 HB ILE 69 HB ILE 69 -12.826 3.176 -17.355 480 HG12 ILE 69 HG12 ILE 69 -10.668 1.889 -16.664 481 HG13 ILE 69 HG11 ILE 69 -9.827 3.205 -17.446 482 HG21 ILE 69 HG21 ILE 69 -12.087 0.974 -18.158 483 HG22 ILE 69 HG22 ILE 69 -11.121 1.764 -19.401 484 HG23 ILE 69 HG23 ILE 69 -12.877 1.917 -19.422 485 HD11 ILE 69 HD11 ILE 69 -9.990 3.518 -15.045 486 HD12 ILE 69 HD12 ILE 69 -11.751 3.525 -15.172 487 HD13 ILE 69 HD13 ILE 69 -10.804 4.801 -15.939 488 H LEU 70 HN LEU 70 -11.781 4.256 -21.320 489 HA LEU 70 HA LEU 70 -14.515 5.040 -21.645 490 HB2 LEU 70 HB2 LEU 70 -12.356 4.220 -23.515 491 HB3 LEU 70 HB1 LEU 70 -14.003 4.351 -24.100 492 HG LEU 70 HG LEU 70 -13.916 6.773 -23.414 493 HD11 LEU 70 HD11 LEU 70 -11.725 7.808 -23.103 494 HD12 LEU 70 HD12 LEU 70 -10.977 6.212 -23.087 495 HD13 LEU 70 HD13 LEU 70 -12.101 6.669 -21.809 496 HD21 LEU 70 HD21 LEU 70 -13.659 6.122 -25.710 497 HD22 LEU 70 HD22 LEU 70 -11.942 5.809 -25.462 498 HD23 LEU 70 HD23 LEU 70 -12.561 7.454 -25.345 499 H THR 71 HN THR 71 -15.844 3.765 -23.034 500 HA THR 71 HA THR 71 -16.508 1.309 -21.781 501 HB THR 71 HB THR 71 -18.204 1.222 -23.730 502 HG1 THR 71 HG1 THR 71 -18.324 3.131 -24.937 503 HG21 THR 71 HG21 THR 71 -19.553 3.014 -22.687 504 HG22 THR 71 HG22 THR 71 -18.113 3.607 -21.858 505 HG23 THR 71 HG23 THR 71 -18.760 2.017 -21.469 506 H ASN 72 HN ASN 72 -14.346 1.984 -24.154 507 HA ASN 72 HA ASN 72 -14.477 -0.627 -25.469 508 HB2 ASN 72 HB2 ASN 72 -12.715 1.785 -25.981 509 HB3 ASN 72 HB1 ASN 72 -12.666 0.284 -26.917 510 HD21 ASN 72 HD21 ASN 72 -13.315 3.083 -27.680 511 HD22 ASN 72 HD22 ASN 72 -14.896 3.001 -28.360 512 H GLY 73 HN GLY 73 -13.274 0.579 -22.664 513 HA2 GLY 73 HA2 GLY 73 -11.906 -0.412 -21.149 514 HA3 GLY 73 HA1 GLY 73 -11.397 -1.564 -22.398 515 H LYS 74 HN LYS 74 -11.376 1.717 -23.244 516 HA LYS 74 HA LYS 74 -8.498 1.540 -23.224 517 HB2 LYS 74 HB2 LYS 74 -10.302 3.195 -25.001 518 HB3 LYS 74 HB1 LYS 74 -8.549 3.136 -25.098 519 HG2 LYS 74 HG2 LYS 74 -10.413 0.803 -25.589 520 HG3 LYS 74 HG1 LYS 74 -9.597 1.747 -26.833 521 HD2 LYS 74 HD2 LYS 74 -7.432 0.981 -26.047 522 HD3 LYS 74 HD1 LYS 74 -8.179 0.159 -24.682 523 HE2 LYS 74 HE2 LYS 74 -7.592 -1.456 -26.392 524 HE3 LYS 74 HE1 LYS 74 -9.339 -1.355 -26.234 525 HZ1 LYS 74 HZ1 LYS 74 -7.751 -0.009 -28.362 526 HZ2 LYS 74 HZ2 LYS 74 -9.426 -0.049 -28.264 527 HZ3 LYS 74 HZ3 LYS 74 -8.564 -1.466 -28.539 528 H GLN 75 HN GLN 75 -7.325 3.183 -22.299 529 HA GLN 75 HA GLN 75 -8.924 4.730 -20.447 530 HB2 GLN 75 HB2 GLN 75 -6.007 4.010 -20.380 531 HB3 GLN 75 HB1 GLN 75 -6.801 5.018 -19.175 532 HG2 GLN 75 HG2 GLN 75 -8.409 3.143 -18.801 533 HG3 GLN 75 HG1 GLN 75 -7.396 2.155 -19.839 534 HE21 GLN 75 HE21 GLN 75 -7.665 3.743 -16.808 535 HE22 GLN 75 HE22 GLN 75 -6.321 2.973 -16.031 536 H ALA 76 HN ALA 76 -8.961 5.760 -22.944 537 HA ALA 76 HA ALA 76 -9.172 7.791 -23.900 538 HB1 ALA 76 HB1 ALA 76 -8.041 8.913 -21.343 539 HB2 ALA 76 HB2 ALA 76 -9.747 8.596 -21.662 540 HB3 ALA 76 HB3 ALA 76 -8.885 9.825 -22.589 541 HA PRO 77 HA PRO 77 -5.319 9.008 -25.838 542 HB2 PRO 77 HB2 PRO 77 -5.968 11.604 -26.468 543 HB3 PRO 77 HB1 PRO 77 -6.487 10.201 -27.432 544 HG2 PRO 77 HG2 PRO 77 -8.002 11.757 -25.424 545 HG3 PRO 77 HG1 PRO 77 -8.541 11.075 -26.977 546 HD2 PRO 77 HD2 PRO 77 -9.143 9.897 -24.659 547 HD3 PRO 77 HD1 PRO 77 -8.783 8.963 -26.129 548 H ASP 78 HN ASP 78 -3.515 10.247 -25.396 549 HA ASP 78 HA ASP 78 -3.156 10.889 -22.670 550 HB2 ASP 78 HB2 ASP 78 -0.850 11.263 -23.206 551 HB3 ASP 78 HB1 ASP 78 -1.403 9.895 -24.156 552 H TRP 79 HN TRP 79 -4.251 12.749 -25.259 553 HA TRP 79 HA TRP 79 -3.369 15.230 -24.082 554 HB2 TRP 79 HB2 TRP 79 -4.398 16.285 -26.099 555 HB3 TRP 79 HB1 TRP 79 -3.147 15.096 -26.468 556 HD1 TRP 79 HD1 TRP 79 -3.838 13.119 -27.908 557 HE1 TRP 79 HE1 TRP 79 -5.985 12.498 -29.251 558 HE3 TRP 79 HE3 TRP 79 -7.066 16.500 -25.882 559 HZ2 TRP 79 HZ2 TRP 79 -8.648 13.344 -29.396 560 HZ3 TRP 79 HZ3 TRP 79 -9.389 16.538 -26.675 561 HH2 TRP 79 HH2 TRP 79 -10.161 14.986 -28.400 562 H LEU 80 HN LEU 80 -5.964 13.167 -23.683 563 HA LEU 80 HA LEU 80 -7.859 15.313 -23.179 564 HB2 LEU 80 HB2 LEU 80 -8.661 13.256 -24.264 565 HB3 LEU 80 HB1 LEU 80 -8.118 12.301 -22.880 566 HG LEU 80 HG LEU 80 -9.786 13.509 -21.491 567 HD11 LEU 80 HD11 LEU 80 -10.012 15.546 -22.782 568 HD12 LEU 80 HD12 LEU 80 -11.581 14.759 -22.614 569 HD13 LEU 80 HD13 LEU 80 -10.693 14.638 -24.133 570 HD21 LEU 80 HD21 LEU 80 -10.333 11.324 -22.386 571 HD22 LEU 80 HD22 LEU 80 -10.871 12.051 -23.900 572 HD23 LEU 80 HD23 LEU 80 -11.763 12.355 -22.410 573 H ALA 81 HN ALA 81 -8.117 16.106 -21.180 574 HA ALA 81 HA ALA 81 -6.685 14.703 -19.012 575 HB1 ALA 81 HB1 ALA 81 -6.995 17.685 -19.369 576 HB2 ALA 81 HB2 ALA 81 -5.524 16.754 -19.667 577 HB3 ALA 81 HB3 ALA 81 -6.174 16.876 -18.033 578 H ALA 82 HN ALA 82 -7.591 14.738 -16.992 579 HA ALA 82 HA ALA 82 -10.261 15.888 -16.729 580 HB1 ALA 82 HB1 ALA 82 -9.603 13.015 -16.070 581 HB2 ALA 82 HB2 ALA 82 -10.589 13.556 -17.425 582 HB3 ALA 82 HB3 ALA 82 -11.142 13.821 -15.772 583 H GLU 83 HN GLU 83 -10.525 16.851 -14.804 584 HA GLU 83 HA GLU 83 -8.647 16.182 -12.668 585 HB2 GLU 83 HB2 GLU 83 -9.952 18.888 -13.049 586 HB3 GLU 83 HB1 GLU 83 -8.707 18.459 -11.908 587 HG2 GLU 83 HG2 GLU 83 -7.141 18.147 -13.795 588 HG3 GLU 83 HG1 GLU 83 -8.441 18.710 -14.868 589 HA PRO 84 HA PRO 84 -12.337 15.363 -10.308 590 HB2 PRO 84 HB2 PRO 84 -11.286 16.029 -7.844 591 HB3 PRO 84 HB1 PRO 84 -10.968 14.477 -8.650 592 HG2 PRO 84 HG2 PRO 84 -9.330 16.941 -8.550 593 HG3 PRO 84 HG1 PRO 84 -8.833 15.241 -8.364 594 HD2 PRO 84 HD2 PRO 84 -8.427 16.469 -10.661 595 HD3 PRO 84 HD1 PRO 84 -9.052 14.797 -10.592 596 H TYR 85 HN TYR 85 -14.067 16.636 -10.000 597 HA TYR 85 HA TYR 85 -13.606 19.433 -9.331 598 HB2 TYR 85 HB2 TYR 85 -14.376 19.085 -11.674 599 HB3 TYR 85 HB1 TYR 85 -15.844 18.326 -11.040 600 HD1 TYR 85 HD1 TYR 85 -13.917 21.473 -11.173 601 HD2 TYR 85 HD2 TYR 85 -17.673 19.675 -10.331 602 HE1 TYR 85 HE1 TYR 85 -14.938 23.691 -11.040 603 HE2 TYR 85 HE2 TYR 85 -18.707 21.899 -10.185 604 HH TYR 85 HH TYR 85 -16.992 24.745 -11.164 Start of MODEL 13 1 H SER 7 HT1 SER 7 2.427 -1.867 -2.414 2 HA SER 7 HA SER 7 1.832 -1.438 -4.666 3 HB2 SER 7 HB2 SER 7 4.802 -1.806 -4.198 4 HB3 SER 7 HB1 SER 7 4.062 -0.736 -5.404 5 HG SER 7 HG SER 7 3.406 0.596 -3.887 6 H GLY 8 HN GLY 8 1.239 -2.403 -6.486 7 HA2 GLY 8 HA2 GLY 8 2.149 -3.662 -8.432 8 HA3 GLY 8 HA1 GLY 8 2.618 -4.885 -7.252 9 H ARG 9 HN ARG 9 1.321 -6.556 -7.273 10 HA ARG 9 HA ARG 9 -1.264 -6.390 -8.501 11 HB2 ARG 9 HB2 ARG 9 0.260 -8.725 -7.404 12 HB3 ARG 9 HB1 ARG 9 -1.355 -8.842 -8.064 13 HG2 ARG 9 HG2 ARG 9 -0.495 -8.062 -10.229 14 HG3 ARG 9 HG1 ARG 9 1.137 -8.039 -9.541 15 HD2 ARG 9 HD2 ARG 9 1.002 -10.393 -9.043 16 HD3 ARG 9 HD1 ARG 9 -0.659 -10.455 -9.606 17 HE ARG 9 HE ARG 9 1.188 -9.539 -11.576 18 HH11 ARG 9 HH11 ARG 9 -0.334 -12.421 -10.114 19 HH12 ARG 9 HH12 ARG 9 -0.013 -13.415 -11.458 20 HH21 ARG 9 HH21 ARG 9 1.615 -10.999 -13.409 21 HH22 ARG 9 HH22 ARG 9 1.096 -12.619 -13.309 22 H GLU 10 HN GLU 10 -1.892 -4.963 -6.610 23 HA GLU 10 HA GLU 10 -3.161 -6.710 -4.641 24 HB2 GLU 10 HB2 GLU 10 -2.643 -3.749 -4.523 25 HB3 GLU 10 HB1 GLU 10 -3.670 -4.605 -3.402 26 HG2 GLU 10 HG2 GLU 10 -1.640 -4.292 -2.300 27 HG3 GLU 10 HG1 GLU 10 -1.613 -5.971 -2.829 28 H ASN 11 HN ASN 11 -5.229 -7.091 -5.008 29 HA ASN 11 HA ASN 11 -6.749 -5.054 -6.475 30 HB2 ASN 11 HB2 ASN 11 -6.709 -7.432 -7.438 31 HB3 ASN 11 HB1 ASN 11 -7.623 -7.924 -6.011 32 HD21 ASN 11 HD21 ASN 11 -9.501 -8.494 -7.203 33 HD22 ASN 11 HD22 ASN 11 -10.494 -7.317 -7.957 34 H LEU 12 HN LEU 12 -5.939 -5.011 -3.743 35 HA LEU 12 HA LEU 12 -8.349 -5.382 -2.242 36 HB2 LEU 12 HB2 LEU 12 -5.737 -4.064 -1.470 37 HB3 LEU 12 HB1 LEU 12 -7.123 -4.142 -0.407 38 HG LEU 12 HG LEU 12 -6.985 -6.644 -0.698 39 HD11 LEU 12 HD11 LEU 12 -5.451 -6.750 -2.568 40 HD12 LEU 12 HD12 LEU 12 -4.761 -7.582 -1.172 41 HD13 LEU 12 HD13 LEU 12 -4.190 -5.972 -1.612 42 HD21 LEU 12 HD21 LEU 12 -4.822 -5.184 0.810 43 HD22 LEU 12 HD22 LEU 12 -5.303 -6.854 1.098 44 HD23 LEU 12 HD23 LEU 12 -6.451 -5.547 1.378 45 H TYR 13 HN TYR 13 -9.580 -4.356 -3.548 46 HA TYR 13 HA TYR 13 -10.546 -2.736 -4.712 47 HB2 TYR 13 HB2 TYR 13 -11.114 -2.064 -1.847 48 HB3 TYR 13 HB1 TYR 13 -12.060 -1.595 -3.269 49 HD1 TYR 13 HD2 TYR 13 -12.890 -3.417 -4.834 50 HD2 TYR 13 HD1 TYR 13 -11.529 -4.198 -0.882 51 HE1 TYR 13 HE2 TYR 13 -14.019 -5.600 -4.876 52 HE2 TYR 13 HE1 TYR 13 -12.641 -6.382 -0.923 53 HH TYR 13 HH TYR 13 -13.765 -7.837 -3.710 54 H PHE 14 HN PHE 14 -9.697 -1.431 -5.990 55 HA PHE 14 HA PHE 14 -7.844 0.578 -5.272 56 HB2 PHE 14 HB2 PHE 14 -9.512 0.396 -7.777 57 HB3 PHE 14 HB1 PHE 14 -8.121 1.444 -7.561 58 HD1 PHE 14 HD1 PHE 14 -5.880 0.211 -6.940 59 HD2 PHE 14 HD2 PHE 14 -9.229 -1.648 -8.791 60 HE1 PHE 14 HE1 PHE 14 -4.412 -1.560 -7.822 61 HE2 PHE 14 HE2 PHE 14 -7.771 -3.421 -9.664 62 HZ PHE 14 HZ PHE 14 -5.364 -3.378 -9.183 63 H GLN 15 HN GLN 15 -8.625 1.916 -3.709 64 HA GLN 15 HA GLN 15 -10.153 4.060 -4.517 65 HB2 GLN 15 HB2 GLN 15 -11.633 3.855 -2.602 66 HB3 GLN 15 HB1 GLN 15 -12.007 2.617 -3.809 67 HG2 GLN 15 HG2 GLN 15 -10.757 1.023 -2.384 68 HG3 GLN 15 HG1 GLN 15 -10.499 2.357 -1.254 69 HE21 GLN 15 HE21 GLN 15 -11.846 -0.194 -0.887 70 HE22 GLN 15 HE22 GLN 15 -13.443 0.148 -0.348 71 H GLY 16 HN GLY 16 -9.088 5.602 -3.690 72 HA2 GLY 16 HA2 GLY 16 -6.918 5.242 -1.868 73 HA3 GLY 16 HA1 GLY 16 -7.512 6.787 -2.460 74 H HIS 17 HN HIS 17 -10.225 5.791 -1.483 75 HA HIS 17 HA HIS 17 -11.615 6.037 0.243 76 HB2 HIS 17 HB2 HIS 17 -10.345 4.227 1.343 77 HB3 HIS 17 HB1 HIS 17 -9.203 5.409 1.965 78 HD1 HIS 17 HD1 HIS 17 -12.720 4.106 2.539 79 HD2 HIS 17 HD2 HIS 17 -10.005 6.735 4.271 80 HE1 HIS 17 HE1 HIS 17 -13.676 4.721 4.777 81 H MET 18 HN MET 18 -12.193 7.990 -0.002 82 HA MET 18 HA MET 18 -10.996 10.095 1.615 83 HB2 MET 18 HB2 MET 18 -9.920 9.984 -0.699 84 HB3 MET 18 HB1 MET 18 -11.497 10.333 -1.364 85 HG2 MET 18 HG2 MET 18 -11.470 12.507 -0.262 86 HG3 MET 18 HG1 MET 18 -9.884 12.139 0.424 87 HE1 MET 18 HE1 MET 18 -10.227 14.760 -1.212 88 HE2 MET 18 HE2 MET 18 -8.834 14.710 -2.294 89 HE3 MET 18 HE3 MET 18 -8.664 14.209 -0.611 90 H ALA 19 HN ALA 19 -12.640 11.970 1.675 91 HA ALA 19 HA ALA 19 -15.202 10.775 1.980 92 HB1 ALA 19 HB1 ALA 19 -14.245 12.331 3.640 93 HB2 ALA 19 HB2 ALA 19 -15.848 12.811 3.096 94 HB3 ALA 19 HB3 ALA 19 -14.423 13.642 2.470 95 H ALA 20 HN ALA 20 -14.172 11.258 -0.654 96 HA ALA 20 HA ALA 20 -14.680 12.020 -2.750 97 HB1 ALA 20 HB1 ALA 20 -16.919 11.525 -3.482 98 HB2 ALA 20 HB2 ALA 20 -17.496 11.534 -1.816 99 HB3 ALA 20 HB3 ALA 20 -16.377 10.283 -2.352 100 HA PRO 21 HA PRO 21 -15.946 16.376 -1.785 101 HB2 PRO 21 HB2 PRO 21 -13.292 16.993 -2.930 102 HB3 PRO 21 HB1 PRO 21 -13.993 17.549 -1.387 103 HG2 PRO 21 HG2 PRO 21 -11.975 15.836 -1.424 104 HG3 PRO 21 HG1 PRO 21 -13.281 15.714 -0.225 105 HD2 PRO 21 HD2 PRO 21 -12.888 14.124 -2.728 106 HD3 PRO 21 HD1 PRO 21 -13.348 13.574 -1.100 107 H ALA 22 HN ALA 22 -14.095 14.806 -4.273 108 HA ALA 22 HA ALA 22 -15.233 16.341 -6.420 109 HB1 ALA 22 HB1 ALA 22 -12.914 15.571 -6.583 110 HB2 ALA 22 HB2 ALA 22 -13.904 14.846 -7.848 111 HB3 ALA 22 HB3 ALA 22 -13.457 13.900 -6.431 112 H ARG 23 HN ARG 23 -17.106 15.890 -7.143 113 HA ARG 23 HA ARG 23 -18.081 13.108 -7.075 114 HB2 ARG 23 HB2 ARG 23 -19.677 15.660 -6.696 115 HB3 ARG 23 HB1 ARG 23 -20.422 14.093 -6.982 116 HG2 ARG 23 HG2 ARG 23 -19.554 13.207 -4.948 117 HG3 ARG 23 HG1 ARG 23 -18.529 14.614 -4.704 118 HD2 ARG 23 HD2 ARG 23 -20.485 14.632 -3.228 119 HD3 ARG 23 HD1 ARG 23 -20.478 16.002 -4.325 120 HE ARG 23 HE ARG 23 -22.240 14.994 -5.548 121 HH11 ARG 23 HH11 ARG 23 -21.498 13.178 -2.583 122 HH12 ARG 23 HH12 ARG 23 -23.095 12.646 -2.363 123 HH21 ARG 23 HH21 ARG 23 -24.427 14.269 -5.202 124 HH22 ARG 23 HH22 ARG 23 -24.799 13.279 -3.862 125 H PHE 24 HN PHE 24 -17.160 15.711 -8.909 126 HA PHE 24 HA PHE 24 -18.169 14.418 -11.303 127 HB2 PHE 24 HB2 PHE 24 -18.120 17.424 -10.808 128 HB3 PHE 24 HB1 PHE 24 -18.430 16.643 -12.357 129 HD1 PHE 24 HD2 PHE 24 -19.768 17.186 -8.951 130 HD2 PHE 24 HD1 PHE 24 -20.576 15.874 -12.916 131 HE1 PHE 24 HE2 PHE 24 -22.169 17.158 -8.449 132 HE2 PHE 24 HE1 PHE 24 -22.979 15.853 -12.418 133 HZ PHE 24 HZ PHE 24 -23.780 16.490 -10.189 134 H CYS 25 HN CYS 25 -16.766 14.940 -13.116 135 HA CYS 25 HA CYS 25 -14.170 15.984 -12.327 136 HB2 CYS 25 HB2 CYS 25 -14.829 13.651 -14.121 137 HB3 CYS 25 HB1 CYS 25 -13.255 14.457 -14.109 138 H VAL 26 HN VAL 26 -13.339 17.443 -13.670 139 HA VAL 26 HA VAL 26 -15.080 18.452 -15.819 140 HB VAL 26 HB VAL 26 -12.585 19.735 -14.732 141 HG11 VAL 26 HG11 VAL 26 -13.644 21.791 -15.481 142 HG12 VAL 26 HG12 VAL 26 -15.021 20.858 -16.059 143 HG13 VAL 26 HG13 VAL 26 -13.430 20.627 -16.786 144 HG21 VAL 26 HG21 VAL 26 -15.364 20.014 -13.603 145 HG22 VAL 26 HG22 VAL 26 -14.017 21.083 -13.229 146 HG23 VAL 26 HG23 VAL 26 -13.932 19.372 -12.791 147 H TYR 27 HN TYR 27 -14.589 17.856 -17.793 148 HA TYR 27 HA TYR 27 -11.905 16.855 -18.338 149 HB2 TYR 27 HB2 TYR 27 -14.468 16.619 -19.911 150 HB3 TYR 27 HB1 TYR 27 -12.879 16.129 -20.504 151 HD1 TYR 27 HD2 TYR 27 -15.154 15.570 -17.573 152 HD2 TYR 27 HD1 TYR 27 -12.214 13.889 -20.161 153 HE1 TYR 27 HE2 TYR 27 -15.421 13.389 -16.481 154 HE2 TYR 27 HE1 TYR 27 -12.495 11.726 -19.073 155 HH TYR 27 HH TYR 27 -15.092 11.009 -17.052 156 H TYR 28 HN TYR 28 -10.640 17.587 -19.865 157 HA TYR 28 HA TYR 28 -11.334 20.121 -21.176 158 HB2 TYR 28 HB2 TYR 28 -8.755 19.473 -19.760 159 HB3 TYR 28 HB1 TYR 28 -9.069 20.902 -20.740 160 HD1 TYR 28 HD2 TYR 28 -9.719 19.205 -17.546 161 HD2 TYR 28 HD1 TYR 28 -10.291 22.764 -19.796 162 HE1 TYR 28 HE2 TYR 28 -10.382 20.386 -15.502 163 HE2 TYR 28 HE1 TYR 28 -10.946 23.958 -17.751 164 HH TYR 28 HH TYR 28 -10.361 22.745 -14.701 165 H ASP 29 HN ASP 29 -10.231 20.478 -23.072 166 HA ASP 29 HA ASP 29 -9.036 18.178 -24.480 167 HB2 ASP 29 HB2 ASP 29 -10.834 19.466 -25.630 168 HB3 ASP 29 HB1 ASP 29 -9.861 20.922 -25.447 169 H GLY 30 HN GLY 30 -6.851 18.093 -24.075 170 HA2 GLY 30 HA2 GLY 30 -5.151 19.694 -25.332 171 HA3 GLY 30 HA1 GLY 30 -5.429 20.602 -23.851 172 H HIS 31 HN HIS 31 -3.158 19.300 -25.027 173 HA HIS 31 HA HIS 31 -2.501 17.243 -23.105 174 HB2 HIS 31 HB2 HIS 31 -1.933 16.954 -25.504 175 HB3 HIS 31 HB1 HIS 31 -0.906 18.393 -25.416 176 HD1 HIS 31 HD1 HIS 31 1.430 17.454 -25.591 177 HD2 HIS 31 HD2 HIS 31 -1.009 15.442 -22.965 178 HE1 HIS 31 HE1 HIS 31 2.917 15.722 -24.504 179 H LEU 32 HN LEU 32 -2.480 20.578 -23.210 180 HA LEU 32 HA LEU 32 -0.098 20.655 -21.586 181 HB2 LEU 32 HB2 LEU 32 -0.127 21.797 -23.885 182 HB3 LEU 32 HB1 LEU 32 -1.195 22.971 -23.141 183 HG LEU 32 HG LEU 32 0.506 23.423 -21.476 184 HD11 LEU 32 HD11 LEU 32 1.741 21.309 -21.529 185 HD12 LEU 32 HD12 LEU 32 2.849 22.620 -21.937 186 HD13 LEU 32 HD13 LEU 32 2.180 21.590 -23.205 187 HD21 LEU 32 HD21 LEU 32 1.382 23.770 -24.339 188 HD22 LEU 32 HD22 LEU 32 2.014 24.679 -22.963 189 HD23 LEU 32 HD23 LEU 32 0.319 24.844 -23.426 190 HA PRO 33 HA PRO 33 -3.220 21.335 -18.503 191 HB2 PRO 33 HB2 PRO 33 -1.456 22.071 -16.488 192 HB3 PRO 33 HB1 PRO 33 -1.932 20.412 -16.888 193 HG2 PRO 33 HG2 PRO 33 0.538 21.858 -17.568 194 HG3 PRO 33 HG1 PRO 33 0.271 20.134 -17.288 195 HD2 PRO 33 HD2 PRO 33 0.633 21.201 -19.746 196 HD3 PRO 33 HD1 PRO 33 -0.305 19.719 -19.464 197 H ALA 34 HN ALA 34 -0.962 23.871 -19.318 198 HA ALA 34 HA ALA 34 -2.627 25.763 -17.850 199 HB1 ALA 34 HB1 ALA 34 -0.193 26.013 -17.733 200 HB2 ALA 34 HB2 ALA 34 -0.968 27.440 -18.421 201 HB3 ALA 34 HB3 ALA 34 -0.145 26.291 -19.473 202 H THR 35 HN THR 35 -2.552 24.469 -20.980 203 HA THR 35 HA THR 35 -3.825 26.894 -22.080 204 HB THR 35 HB THR 35 -2.120 24.926 -23.638 205 HG1 THR 35 HG1 THR 35 -1.457 27.134 -22.030 206 HG21 THR 35 HG21 THR 35 -3.595 26.439 -24.949 207 HG22 THR 35 HG22 THR 35 -1.886 26.785 -25.208 208 HG23 THR 35 HG23 THR 35 -2.845 27.823 -24.153 209 H ARG 36 HN ARG 36 -4.807 24.116 -20.937 210 HA ARG 36 HA ARG 36 -5.967 22.895 -23.254 211 HB2 ARG 36 HB2 ARG 36 -6.661 21.137 -21.846 212 HB3 ARG 36 HB1 ARG 36 -5.131 21.665 -21.221 213 HG2 ARG 36 HG2 ARG 36 -7.822 22.307 -20.040 214 HG3 ARG 36 HG1 ARG 36 -6.664 21.140 -19.417 215 HD2 ARG 36 HD2 ARG 36 -5.098 23.068 -19.068 216 HD3 ARG 36 HD1 ARG 36 -6.434 24.138 -19.516 217 HE ARG 36 HE ARG 36 -6.699 22.202 -17.366 218 HH11 ARG 36 HH11 ARG 36 -6.725 25.626 -18.355 219 HH12 ARG 36 HH12 ARG 36 -7.346 26.163 -16.873 220 HH21 ARG 36 HH21 ARG 36 -7.587 22.996 -15.350 221 HH22 ARG 36 HH22 ARG 36 -7.847 24.669 -15.130 222 H VAL 37 HN VAL 37 -8.305 22.497 -23.544 223 HA VAL 37 HA VAL 37 -9.795 24.964 -22.957 224 HB VAL 37 HB VAL 37 -10.307 22.821 -25.037 225 HG11 VAL 37 HG11 VAL 37 -12.354 24.003 -24.419 226 HG12 VAL 37 HG12 VAL 37 -11.861 24.435 -26.056 227 HG13 VAL 37 HG13 VAL 37 -11.566 25.551 -24.723 228 HG21 VAL 37 HG21 VAL 37 -9.480 24.453 -26.677 229 HG22 VAL 37 HG22 VAL 37 -8.239 24.019 -25.498 230 HG23 VAL 37 HG23 VAL 37 -9.087 25.560 -25.364 231 H LEU 38 HN LEU 38 -11.624 24.912 -21.769 232 HA LEU 38 HA LEU 38 -12.382 22.667 -20.220 233 HB2 LEU 38 HB2 LEU 38 -12.673 24.995 -19.479 234 HB3 LEU 38 HB1 LEU 38 -13.743 25.319 -20.810 235 HG LEU 38 HG LEU 38 -14.805 25.190 -18.534 236 HD11 LEU 38 HD11 LEU 38 -16.201 24.992 -20.495 237 HD12 LEU 38 HD12 LEU 38 -16.782 23.931 -19.208 238 HD13 LEU 38 HD13 LEU 38 -15.883 23.259 -20.569 239 HD21 LEU 38 HD21 LEU 38 -15.266 22.996 -17.599 240 HD22 LEU 38 HD22 LEU 38 -13.536 23.346 -17.644 241 HD23 LEU 38 HD23 LEU 38 -14.252 22.260 -18.836 242 H LEU 39 HN LEU 39 -13.645 20.910 -20.844 243 HA LEU 39 HA LEU 39 -15.263 21.283 -23.250 244 HB2 LEU 39 HB2 LEU 39 -14.260 18.780 -21.930 245 HB3 LEU 39 HB1 LEU 39 -15.343 18.799 -23.305 246 HG LEU 39 HG LEU 39 -12.518 19.859 -23.280 247 HD11 LEU 39 HD11 LEU 39 -12.601 17.438 -23.122 248 HD12 LEU 39 HD12 LEU 39 -12.060 17.927 -24.727 249 HD13 LEU 39 HD13 LEU 39 -13.717 17.373 -24.482 250 HD21 LEU 39 HD21 LEU 39 -14.525 19.588 -25.525 251 HD22 LEU 39 HD22 LEU 39 -12.834 20.025 -25.728 252 HD23 LEU 39 HD23 LEU 39 -13.920 21.100 -24.847 253 H MET 40 HN MET 40 -15.565 19.429 -20.131 254 HA MET 40 HA MET 40 -18.207 20.285 -19.616 255 HB2 MET 40 HB2 MET 40 -19.451 18.247 -20.188 256 HB3 MET 40 HB1 MET 40 -18.829 19.071 -21.625 257 HG2 MET 40 HG2 MET 40 -17.049 17.427 -21.768 258 HG3 MET 40 HG1 MET 40 -17.659 16.688 -20.286 259 HE1 MET 40 HE1 MET 40 -19.892 18.133 -23.233 260 HE2 MET 40 HE2 MET 40 -20.041 16.710 -24.262 261 HE3 MET 40 HE3 MET 40 -18.472 17.493 -24.064 262 H TYR 41 HN TYR 41 -19.296 19.029 -18.071 263 HA TYR 41 HA TYR 41 -17.398 17.998 -16.073 264 HB2 TYR 41 HB2 TYR 41 -20.204 19.104 -15.735 265 HB3 TYR 41 HB1 TYR 41 -19.084 18.658 -14.445 266 HD1 TYR 41 HD2 TYR 41 -19.777 21.100 -17.121 267 HD2 TYR 41 HD1 TYR 41 -17.389 20.204 -13.725 268 HE1 TYR 41 HE2 TYR 41 -18.938 23.407 -17.125 269 HE2 TYR 41 HE1 TYR 41 -16.534 22.520 -13.714 270 HH TYR 41 HH TYR 41 -17.967 24.983 -15.573 271 H VAL 42 HN VAL 42 -17.679 15.925 -15.369 272 HA VAL 42 HA VAL 42 -20.130 14.497 -16.202 273 HB VAL 42 HB VAL 42 -17.303 13.417 -16.305 274 HG11 VAL 42 HG11 VAL 42 -18.275 11.363 -17.253 275 HG12 VAL 42 HG12 VAL 42 -19.891 12.012 -16.958 276 HG13 VAL 42 HG13 VAL 42 -18.820 11.658 -15.601 277 HG21 VAL 42 HG21 VAL 42 -17.689 13.200 -18.718 278 HG22 VAL 42 HG22 VAL 42 -17.789 14.879 -18.177 279 HG23 VAL 42 HG23 VAL 42 -19.262 13.972 -18.524 280 H ARG 43 HN ARG 43 -21.010 13.185 -14.718 281 HA ARG 43 HA ARG 43 -20.249 13.421 -11.997 282 HB2 ARG 43 HB2 ARG 43 -22.571 13.284 -12.704 283 HB3 ARG 43 HB1 ARG 43 -22.302 11.684 -13.375 284 HG2 ARG 43 HG2 ARG 43 -23.440 11.465 -11.286 285 HG3 ARG 43 HG1 ARG 43 -21.788 10.879 -11.079 286 HD2 ARG 43 HD2 ARG 43 -21.152 13.002 -10.078 287 HD3 ARG 43 HD1 ARG 43 -22.787 13.618 -10.301 288 HE ARG 43 HE ARG 43 -21.971 11.456 -8.495 289 HH11 ARG 43 HH11 ARG 43 -24.408 13.827 -9.515 290 HH12 ARG 43 HH12 ARG 43 -25.268 13.774 -8.063 291 HH21 ARG 43 HH21 ARG 43 -23.223 11.305 -6.519 292 HH22 ARG 43 HH22 ARG 43 -24.616 12.252 -6.347 293 H ILE 44 HN ILE 44 -18.930 12.157 -10.916 294 HA ILE 44 HA ILE 44 -17.571 9.939 -12.018 295 HB ILE 44 HB ILE 44 -17.891 10.752 -9.108 296 HG12 ILE 44 HG12 ILE 44 -15.621 11.271 -11.043 297 HG13 ILE 44 HG11 ILE 44 -16.843 12.451 -10.587 298 HG21 ILE 44 HG21 ILE 44 -15.891 8.853 -10.371 299 HG22 ILE 44 HG22 ILE 44 -17.209 8.397 -9.296 300 HG23 ILE 44 HG23 ILE 44 -15.877 9.382 -8.689 301 HD11 ILE 44 HD11 ILE 44 -16.062 12.461 -8.333 302 HD12 ILE 44 HD12 ILE 44 -14.668 12.693 -9.400 303 HD13 ILE 44 HD13 ILE 44 -14.993 11.113 -8.667 304 H GLY 45 HN GLY 45 -18.189 7.877 -12.183 305 HA2 GLY 45 HA2 GLY 45 -19.252 5.955 -11.251 306 HA3 GLY 45 HA1 GLY 45 -20.501 7.017 -10.607 307 H THR 46 HN THR 46 -20.229 8.501 -13.342 308 HA THR 46 HA THR 46 -22.058 6.644 -14.698 309 HB THR 46 HB THR 46 -23.088 8.592 -15.778 310 HG1 THR 46 HG1 THR 46 -21.049 9.984 -14.415 311 HG21 THR 46 HG21 THR 46 -24.075 7.816 -13.692 312 HG22 THR 46 HG22 THR 46 -24.196 9.574 -13.803 313 HG23 THR 46 HG23 THR 46 -22.972 8.838 -12.773 314 H THR 47 HN THR 47 -22.133 6.762 -16.933 315 HA THR 47 HA THR 47 -19.533 7.186 -18.165 316 HB THR 47 HB THR 47 -20.721 6.175 -20.110 317 HG1 THR 47 HG1 THR 47 -22.895 6.377 -19.119 318 HG21 THR 47 HG21 THR 47 -20.267 4.511 -17.634 319 HG22 THR 47 HG22 THR 47 -19.086 4.905 -18.889 320 HG23 THR 47 HG23 THR 47 -20.437 3.835 -19.254 321 H ALA 48 HN ALA 48 -19.460 8.353 -20.042 322 HA ALA 48 HA ALA 48 -21.731 10.042 -20.761 323 HB1 ALA 48 HB1 ALA 48 -20.605 12.162 -20.379 324 HB2 ALA 48 HB2 ALA 48 -19.219 11.317 -19.690 325 HB3 ALA 48 HB3 ALA 48 -20.782 11.264 -18.872 326 H THR 49 HN THR 49 -21.435 11.226 -22.619 327 HA THR 49 HA THR 49 -19.336 10.157 -24.329 328 HB THR 49 HB THR 49 -21.868 11.601 -25.154 329 HG1 THR 49 HG1 THR 49 -21.537 8.762 -25.109 330 HG21 THR 49 HG21 THR 49 -20.091 11.422 -26.860 331 HG22 THR 49 HG22 THR 49 -21.478 10.423 -27.291 332 HG23 THR 49 HG23 THR 49 -20.030 9.678 -26.613 333 H ILE 50 HN ILE 50 -17.674 11.525 -24.379 334 HA ILE 50 HA ILE 50 -18.016 14.436 -24.107 335 HB ILE 50 HB ILE 50 -15.461 12.916 -24.602 336 HG12 ILE 50 HG12 ILE 50 -16.523 11.896 -22.630 337 HG13 ILE 50 HG11 ILE 50 -15.039 12.754 -22.206 338 HG21 ILE 50 HG21 ILE 50 -15.984 15.561 -23.259 339 HG22 ILE 50 HG22 ILE 50 -15.306 15.306 -24.865 340 HG23 ILE 50 HG23 ILE 50 -14.397 14.812 -23.439 341 HD11 ILE 50 HD11 ILE 50 -16.755 13.085 -20.548 342 HD12 ILE 50 HD12 ILE 50 -17.865 13.694 -21.775 343 HD13 ILE 50 HD13 ILE 50 -16.414 14.609 -21.365 344 H THR 51 HN THR 51 -17.443 15.728 -25.835 345 HA THR 51 HA THR 51 -16.735 14.376 -28.325 346 HB THR 51 HB THR 51 -18.789 16.597 -28.083 347 HG1 THR 51 HG1 THR 51 -18.906 13.919 -27.847 348 HG21 THR 51 HG21 THR 51 -17.925 14.908 -30.452 349 HG22 THR 51 HG22 THR 51 -17.522 16.605 -30.207 350 HG23 THR 51 HG23 THR 51 -19.199 16.129 -30.470 351 H ALA 52 HN ALA 52 -14.838 15.055 -28.860 352 HA ALA 52 HA ALA 52 -14.259 17.887 -28.849 353 HB1 ALA 52 HB1 ALA 52 -12.480 15.881 -27.446 354 HB2 ALA 52 HB2 ALA 52 -13.434 17.139 -26.666 355 HB3 ALA 52 HB3 ALA 52 -12.101 17.580 -27.731 356 H ARG 53 HN ARG 53 -13.157 18.410 -30.559 357 HA ARG 53 HA ARG 53 -12.000 18.376 -32.484 358 HB2 ARG 53 HB2 ARG 53 -10.786 15.889 -31.329 359 HB3 ARG 53 HB1 ARG 53 -10.172 16.759 -32.751 360 HG2 ARG 53 HG2 ARG 53 -9.815 18.711 -31.395 361 HG3 ARG 53 HG1 ARG 53 -10.473 17.850 -29.989 362 HD2 ARG 53 HD2 ARG 53 -8.749 16.230 -30.235 363 HD3 ARG 53 HD1 ARG 53 -8.046 17.176 -31.569 364 HE ARG 53 HE ARG 53 -8.480 18.382 -28.943 365 HH11 ARG 53 HH11 ARG 53 -6.201 17.326 -31.443 366 HH12 ARG 53 HH12 ARG 53 -4.944 18.349 -30.916 367 HH21 ARG 53 HH21 ARG 53 -6.818 19.731 -28.242 368 HH22 ARG 53 HH22 ARG 53 -5.295 19.803 -29.050 369 H GLY 54 HN GLY 54 -14.497 17.023 -32.215 370 HA2 GLY 54 HA2 GLY 54 -15.911 16.133 -33.851 371 HA3 GLY 54 HA1 GLY 54 -14.482 15.663 -34.778 372 H HIS 55 HN HIS 55 -13.905 14.561 -31.723 373 HA HIS 55 HA HIS 55 -14.776 11.877 -32.511 374 HB2 HIS 55 HB2 HIS 55 -12.747 12.718 -30.422 375 HB3 HIS 55 HB1 HIS 55 -13.122 11.061 -30.898 376 HD1 HIS 55 HD1 HIS 55 -11.760 10.126 -32.877 377 HD2 HIS 55 HD2 HIS 55 -11.282 14.213 -32.314 378 HE1 HIS 55 HE1 HIS 55 -9.823 10.811 -34.328 379 H GLU 56 HN GLU 56 -16.210 10.805 -31.265 380 HA GLU 56 HA GLU 56 -17.116 12.133 -28.836 381 HB2 GLU 56 HB2 GLU 56 -18.454 10.031 -30.560 382 HB3 GLU 56 HB1 GLU 56 -19.122 10.705 -29.072 383 HG2 GLU 56 HG2 GLU 56 -19.165 12.921 -30.117 384 HG3 GLU 56 HG1 GLU 56 -18.531 12.222 -31.605 385 H PHE 57 HN PHE 57 -16.279 11.327 -27.081 386 HA PHE 57 HA PHE 57 -15.125 8.630 -27.039 387 HB2 PHE 57 HB2 PHE 57 -14.762 10.907 -25.093 388 HB3 PHE 57 HB1 PHE 57 -13.852 9.396 -25.169 389 HD1 PHE 57 HD2 PHE 57 -12.222 9.047 -26.981 390 HD2 PHE 57 HD1 PHE 57 -14.241 12.754 -26.456 391 HE1 PHE 57 HE2 PHE 57 -10.553 10.165 -28.399 392 HE2 PHE 57 HE1 PHE 57 -12.574 13.863 -27.869 393 HZ PHE 57 HZ PHE 57 -10.731 12.564 -28.838 394 H GLU 58 HN GLU 58 -16.401 7.139 -26.014 395 HA GLU 58 HA GLU 58 -18.216 8.168 -23.998 396 HB2 GLU 58 HB2 GLU 58 -19.060 6.419 -25.607 397 HB3 GLU 58 HB1 GLU 58 -17.904 5.294 -24.887 398 HG2 GLU 58 HG2 GLU 58 -18.985 5.491 -22.746 399 HG3 GLU 58 HG1 GLU 58 -20.091 6.665 -23.472 400 H VAL 59 HN VAL 59 -17.434 8.499 -22.147 401 HA VAL 59 HA VAL 59 -15.076 7.017 -21.237 402 HB VAL 59 HB VAL 59 -14.637 8.873 -19.767 403 HG11 VAL 59 HG11 VAL 59 -14.348 10.757 -21.312 404 HG12 VAL 59 HG12 VAL 59 -15.352 9.914 -22.493 405 HG13 VAL 59 HG13 VAL 59 -13.813 9.222 -21.984 406 HG21 VAL 59 HG21 VAL 59 -16.047 10.896 -19.641 407 HG22 VAL 59 HG22 VAL 59 -16.892 9.456 -19.071 408 HG23 VAL 59 HG23 VAL 59 -17.244 10.106 -20.671 409 H GLU 60 HN GLU 60 -15.074 6.267 -19.125 410 HA GLU 60 HA GLU 60 -17.634 6.306 -17.735 411 HB2 GLU 60 HB2 GLU 60 -17.066 4.043 -18.633 412 HB3 GLU 60 HB1 GLU 60 -15.566 4.079 -17.703 413 HG2 GLU 60 HG2 GLU 60 -16.782 4.037 -15.645 414 HG3 GLU 60 HG1 GLU 60 -18.317 4.230 -16.485 415 H ALA 61 HN ALA 61 -17.437 7.643 -16.111 416 HA ALA 61 HA ALA 61 -14.837 8.353 -15.068 417 HB1 ALA 61 HB1 ALA 61 -17.588 9.131 -14.069 418 HB2 ALA 61 HB2 ALA 61 -16.626 10.038 -15.235 419 HB3 ALA 61 HB3 ALA 61 -16.061 9.866 -13.571 420 H LYS 62 HN LYS 62 -13.801 6.996 -13.830 421 HA LYS 62 HA LYS 62 -15.255 4.955 -12.355 422 HB2 LYS 62 HB2 LYS 62 -12.332 5.279 -12.945 423 HB3 LYS 62 HB1 LYS 62 -13.059 3.902 -12.138 424 HG2 LYS 62 HG2 LYS 62 -14.073 4.679 -14.816 425 HG3 LYS 62 HG1 LYS 62 -12.496 3.886 -14.681 426 HD2 LYS 62 HD2 LYS 62 -14.354 2.289 -15.117 427 HD3 LYS 62 HD1 LYS 62 -13.523 1.974 -13.601 428 HE2 LYS 62 HE2 LYS 62 -15.323 2.952 -12.350 429 HE3 LYS 62 HE1 LYS 62 -16.128 3.494 -13.821 430 HZ1 LYS 62 HZ1 LYS 62 -15.611 0.681 -13.079 431 HZ2 LYS 62 HZ2 LYS 62 -16.418 1.238 -14.461 432 HZ3 LYS 62 HZ3 LYS 62 -17.105 1.461 -12.924 433 H ASP 63 HN ASP 63 -12.524 7.150 -11.656 434 HA ASP 63 HA ASP 63 -13.170 6.697 -8.839 435 HB2 ASP 63 HB2 ASP 63 -11.159 5.459 -9.545 436 HB3 ASP 63 HB1 ASP 63 -10.436 6.964 -10.087 437 H GLN 64 HN GLN 64 -12.315 8.371 -7.418 438 HA GLN 64 HA GLN 64 -13.106 10.945 -8.417 439 HB2 GLN 64 HB2 GLN 64 -12.963 11.637 -6.036 440 HB3 GLN 64 HB1 GLN 64 -14.049 10.296 -6.376 441 HG2 GLN 64 HG2 GLN 64 -12.140 8.772 -5.637 442 HG3 GLN 64 HG1 GLN 64 -11.354 10.225 -5.030 443 HE21 GLN 64 HE21 GLN 64 -14.850 9.645 -4.936 444 HE22 GLN 64 HE22 GLN 64 -14.922 9.527 -3.237 445 H ASN 65 HN ASN 65 -10.283 9.438 -8.541 446 HA ASN 65 HA ASN 65 -8.703 11.889 -8.368 447 HB2 ASN 65 HB2 ASN 65 -8.017 9.026 -9.103 448 HB3 ASN 65 HB1 ASN 65 -6.873 10.355 -9.337 449 HD21 ASN 65 HD21 ASN 65 -8.555 8.398 -7.031 450 HD22 ASN 65 HD22 ASN 65 -7.618 8.796 -5.651 451 H CYS 66 HN CYS 66 -10.963 10.766 -10.267 452 HA CYS 66 HA CYS 66 -11.743 11.106 -12.273 453 HB2 CYS 66 HB2 CYS 66 -9.609 13.223 -12.347 454 HB3 CYS 66 HB1 CYS 66 -10.827 13.012 -13.625 455 H LYS 67 HN LYS 67 -9.780 9.127 -11.819 456 HA LYS 67 HA LYS 67 -8.287 8.725 -14.076 457 HB2 LYS 67 HB2 LYS 67 -8.221 7.547 -11.804 458 HB3 LYS 67 HB1 LYS 67 -9.595 6.615 -12.405 459 HG2 LYS 67 HG2 LYS 67 -7.430 5.429 -12.561 460 HG3 LYS 67 HG1 LYS 67 -8.244 5.641 -14.118 461 HD2 LYS 67 HD2 LYS 67 -6.579 7.812 -13.306 462 HD3 LYS 67 HD1 LYS 67 -5.634 6.324 -13.632 463 HE2 LYS 67 HE2 LYS 67 -6.658 6.207 -15.856 464 HE3 LYS 67 HE1 LYS 67 -7.694 7.571 -15.413 465 HZ1 LYS 67 HZ1 LYS 67 -5.744 8.996 -15.402 466 HZ2 LYS 67 HZ2 LYS 67 -5.799 8.211 -16.885 467 HZ3 LYS 67 HZ3 LYS 67 -4.721 7.692 -15.714 468 H VAL 68 HN VAL 68 -9.324 8.845 -16.014 469 HA VAL 68 HA VAL 68 -11.953 7.697 -16.237 470 HB VAL 68 HB VAL 68 -11.883 9.956 -17.029 471 HG11 VAL 68 HG11 VAL 68 -9.554 10.248 -17.502 472 HG12 VAL 68 HG12 VAL 68 -10.483 10.654 -18.946 473 HG13 VAL 68 HG13 VAL 68 -9.639 9.109 -18.843 474 HG21 VAL 68 HG21 VAL 68 -12.650 9.681 -19.348 475 HG22 VAL 68 HG22 VAL 68 -13.305 8.445 -18.264 476 HG23 VAL 68 HG23 VAL 68 -11.980 8.048 -19.356 477 H ILE 69 HN ILE 69 -12.286 5.863 -17.097 478 HA ILE 69 HA ILE 69 -10.410 4.826 -19.064 479 HB ILE 69 HB ILE 69 -12.040 3.300 -16.980 480 HG12 ILE 69 HG12 ILE 69 -9.762 2.144 -16.660 481 HG13 ILE 69 HG11 ILE 69 -9.097 3.467 -17.585 482 HG21 ILE 69 HG21 ILE 69 -12.369 2.166 -19.100 483 HG22 ILE 69 HG22 ILE 69 -11.342 1.199 -18.038 484 HG23 ILE 69 HG23 ILE 69 -10.626 2.114 -19.364 485 HD11 ILE 69 HD11 ILE 69 -8.789 3.862 -15.237 486 HD12 ILE 69 HD12 ILE 69 -10.510 3.675 -14.941 487 HD13 ILE 69 HD13 ILE 69 -9.922 5.049 -15.888 488 H LEU 70 HN LEU 70 -11.379 4.351 -20.987 489 HA LEU 70 HA LEU 70 -14.097 5.295 -21.266 490 HB2 LEU 70 HB2 LEU 70 -12.469 4.002 -23.399 491 HB3 LEU 70 HB1 LEU 70 -13.827 5.072 -23.580 492 HG LEU 70 HG LEU 70 -11.175 5.779 -22.560 493 HD11 LEU 70 HD11 LEU 70 -10.929 7.026 -24.749 494 HD12 LEU 70 HD12 LEU 70 -12.487 6.375 -25.239 495 HD13 LEU 70 HD13 LEU 70 -11.123 5.289 -24.986 496 HD21 LEU 70 HD21 LEU 70 -12.803 7.226 -21.619 497 HD22 LEU 70 HD22 LEU 70 -13.521 7.517 -23.205 498 HD23 LEU 70 HD23 LEU 70 -11.907 8.133 -22.838 499 H THR 71 HN THR 71 -15.434 4.036 -22.545 500 HA THR 71 HA THR 71 -15.843 1.479 -21.247 501 HB THR 71 HB THR 71 -17.952 1.414 -22.613 502 HG1 THR 71 HG1 THR 71 -18.409 3.329 -23.755 503 HG21 THR 71 HG21 THR 71 -17.884 2.441 -20.372 504 HG22 THR 71 HG22 THR 71 -19.002 3.294 -21.435 505 HG23 THR 71 HG23 THR 71 -17.412 3.977 -21.097 506 H ASN 72 HN ASN 72 -14.527 2.629 -24.075 507 HA ASN 72 HA ASN 72 -14.646 0.333 -25.743 508 HB2 ASN 72 HB2 ASN 72 -12.623 2.590 -25.727 509 HB3 ASN 72 HB1 ASN 72 -12.853 1.424 -27.036 510 HD21 ASN 72 HD21 ASN 72 -13.036 4.319 -27.108 511 HD22 ASN 72 HD22 ASN 72 -14.635 4.684 -27.625 512 H GLY 73 HN GLY 73 -12.988 0.953 -22.856 513 HA2 GLY 73 HA2 GLY 73 -11.745 -0.614 -21.694 514 HA3 GLY 73 HA1 GLY 73 -11.417 -1.460 -23.219 515 H LYS 74 HN LYS 74 -11.074 1.956 -23.058 516 HA LYS 74 HA LYS 74 -8.180 1.613 -23.211 517 HB2 LYS 74 HB2 LYS 74 -9.898 3.757 -24.444 518 HB3 LYS 74 HB1 LYS 74 -8.166 3.564 -24.641 519 HG2 LYS 74 HG2 LYS 74 -10.319 1.713 -25.659 520 HG3 LYS 74 HG1 LYS 74 -9.324 2.795 -26.630 521 HD2 LYS 74 HD2 LYS 74 -7.323 1.522 -25.942 522 HD3 LYS 74 HD1 LYS 74 -8.351 0.440 -25.011 523 HE2 LYS 74 HE2 LYS 74 -7.837 -0.601 -27.125 524 HE3 LYS 74 HE1 LYS 74 -9.543 -0.177 -27.073 525 HZ1 LYS 74 HZ1 LYS 74 -7.433 1.393 -28.460 526 HZ2 LYS 74 HZ2 LYS 74 -9.068 1.773 -28.430 527 HZ3 LYS 74 HZ3 LYS 74 -8.554 0.374 -29.199 528 H GLN 75 HN GLN 75 -6.965 3.141 -22.109 529 HA GLN 75 HA GLN 75 -8.401 4.288 -19.863 530 HB2 GLN 75 HB2 GLN 75 -5.424 4.013 -20.324 531 HB3 GLN 75 HB1 GLN 75 -6.152 4.647 -18.847 532 HG2 GLN 75 HG2 GLN 75 -7.330 2.488 -18.550 533 HG3 GLN 75 HG1 GLN 75 -6.487 1.867 -19.960 534 HE21 GLN 75 HE21 GLN 75 -4.292 1.470 -19.805 535 HE22 GLN 75 HE22 GLN 75 -3.506 1.216 -18.286 536 H ALA 76 HN ALA 76 -8.638 5.438 -22.422 537 HA ALA 76 HA ALA 76 -9.204 7.426 -23.264 538 HB1 ALA 76 HB1 ALA 76 -8.276 8.656 -20.676 539 HB2 ALA 76 HB2 ALA 76 -9.893 8.016 -20.980 540 HB3 ALA 76 HB3 ALA 76 -9.310 9.412 -21.887 541 HA PRO 77 HA PRO 77 -5.699 9.276 -25.312 542 HB2 PRO 77 HB2 PRO 77 -7.321 11.765 -25.288 543 HB3 PRO 77 HB1 PRO 77 -6.615 10.905 -26.676 544 HG2 PRO 77 HG2 PRO 77 -9.220 10.853 -26.222 545 HG3 PRO 77 HG1 PRO 77 -8.339 9.442 -26.858 546 HD2 PRO 77 HD2 PRO 77 -9.421 9.894 -24.117 547 HD3 PRO 77 HD1 PRO 77 -9.252 8.404 -25.075 548 H ASP 78 HN ASP 78 -4.042 10.569 -24.726 549 HA ASP 78 HA ASP 78 -3.909 11.216 -21.966 550 HB2 ASP 78 HB2 ASP 78 -1.841 11.634 -24.125 551 HB3 ASP 78 HB1 ASP 78 -1.549 11.688 -22.387 552 H TRP 79 HN TRP 79 -4.591 12.962 -24.810 553 HA TRP 79 HA TRP 79 -4.027 15.516 -23.599 554 HB2 TRP 79 HB2 TRP 79 -4.902 16.460 -25.750 555 HB3 TRP 79 HB1 TRP 79 -3.575 15.317 -25.968 556 HD1 TRP 79 HD1 TRP 79 -4.040 13.280 -27.391 557 HE1 TRP 79 HE1 TRP 79 -6.032 12.499 -28.872 558 HE3 TRP 79 HE3 TRP 79 -7.573 16.562 -25.771 559 HZ2 TRP 79 HZ2 TRP 79 -8.717 13.212 -29.274 560 HZ3 TRP 79 HZ3 TRP 79 -9.825 16.466 -26.749 561 HH2 TRP 79 HH2 TRP 79 -10.385 14.827 -28.462 562 H LEU 80 HN LEU 80 -6.407 13.318 -23.286 563 HA LEU 80 HA LEU 80 -8.518 15.274 -22.909 564 HB2 LEU 80 HB2 LEU 80 -9.064 13.093 -24.008 565 HB3 LEU 80 HB1 LEU 80 -8.518 12.261 -22.555 566 HG LEU 80 HG LEU 80 -10.344 13.309 -21.291 567 HD11 LEU 80 HD11 LEU 80 -12.179 14.422 -22.497 568 HD12 LEU 80 HD12 LEU 80 -11.223 14.375 -23.976 569 HD13 LEU 80 HD13 LEU 80 -10.672 15.326 -22.596 570 HD21 LEU 80 HD21 LEU 80 -11.210 11.786 -23.747 571 HD22 LEU 80 HD22 LEU 80 -12.170 11.991 -22.281 572 HD23 LEU 80 HD23 LEU 80 -10.658 11.089 -22.224 573 H ALA 81 HN ALA 81 -8.460 16.262 -21.036 574 HA ALA 81 HA ALA 81 -7.078 14.929 -18.810 575 HB1 ALA 81 HB1 ALA 81 -6.551 17.159 -17.988 576 HB2 ALA 81 HB2 ALA 81 -7.404 17.872 -19.358 577 HB3 ALA 81 HB3 ALA 81 -5.942 16.924 -19.627 578 H ALA 82 HN ALA 82 -7.930 15.132 -16.780 579 HA ALA 82 HA ALA 82 -10.596 16.277 -16.550 580 HB1 ALA 82 HB1 ALA 82 -10.914 13.895 -17.035 581 HB2 ALA 82 HB2 ALA 82 -11.422 14.287 -15.392 582 HB3 ALA 82 HB3 ALA 82 -9.878 13.478 -15.670 583 H GLU 83 HN GLU 83 -10.802 17.409 -14.767 584 HA GLU 83 HA GLU 83 -8.872 17.000 -12.625 585 HB2 GLU 83 HB2 GLU 83 -10.196 19.572 -13.512 586 HB3 GLU 83 HB1 GLU 83 -9.237 19.411 -12.051 587 HG2 GLU 83 HG2 GLU 83 -7.299 18.747 -13.437 588 HG3 GLU 83 HG1 GLU 83 -8.278 19.038 -14.871 589 HA PRO 84 HA PRO 84 -12.259 15.770 -10.136 590 HB2 PRO 84 HB2 PRO 84 -11.161 16.451 -7.700 591 HB3 PRO 84 HB1 PRO 84 -10.700 14.995 -8.609 592 HG2 PRO 84 HG2 PRO 84 -9.370 17.644 -8.468 593 HG3 PRO 84 HG1 PRO 84 -8.666 16.011 -8.396 594 HD2 PRO 84 HD2 PRO 84 -8.544 17.368 -10.651 595 HD3 PRO 84 HD1 PRO 84 -8.958 15.627 -10.613 596 H TYR 85 HN TYR 85 -14.132 16.766 -9.812 597 HA TYR 85 HA TYR 85 -14.056 19.554 -9.054 598 HB2 TYR 85 HB2 TYR 85 -15.118 19.079 -11.233 599 HB3 TYR 85 HB1 TYR 85 -16.265 18.013 -10.413 600 HD1 TYR 85 HD2 TYR 85 -15.137 21.523 -10.719 601 HD2 TYR 85 HD1 TYR 85 -18.232 18.917 -9.408 602 HE1 TYR 85 HE2 TYR 85 -16.604 23.450 -10.354 603 HE2 TYR 85 HE1 TYR 85 -19.704 20.839 -9.048 604 HH TYR 85 HH TYR 85 -19.492 23.239 -8.616 Start of MODEL 14 1 H SER 7 HT1 SER 7 -19.532 -16.219 8.584 2 HA SER 7 HA SER 7 -20.939 -16.189 6.019 3 HB2 SER 7 HB2 SER 7 -21.853 -15.175 8.725 4 HB3 SER 7 HB1 SER 7 -22.791 -15.328 7.229 5 HG SER 7 HG SER 7 -22.876 -17.454 7.431 6 H GLY 8 HN GLY 8 -21.774 -13.640 5.981 7 HA2 GLY 8 HA2 GLY 8 -19.333 -12.111 6.493 8 HA3 GLY 8 HA1 GLY 8 -20.332 -11.910 5.059 9 H ARG 9 HN ARG 9 -20.181 -11.486 8.519 10 HA ARG 9 HA ARG 9 -22.045 -9.306 8.224 11 HB2 ARG 9 HB2 ARG 9 -22.147 -11.425 10.372 12 HB3 ARG 9 HB1 ARG 9 -22.953 -9.869 10.513 13 HG2 ARG 9 HG2 ARG 9 -24.234 -10.381 8.474 14 HG3 ARG 9 HG1 ARG 9 -23.463 -11.963 8.422 15 HD2 ARG 9 HD2 ARG 9 -24.458 -12.563 10.524 16 HD3 ARG 9 HD1 ARG 9 -25.116 -10.939 10.715 17 HE ARG 9 HE ARG 9 -25.907 -12.244 8.299 18 HH11 ARG 9 HH11 ARG 9 -26.710 -11.922 11.742 19 HH12 ARG 9 HH12 ARG 9 -28.374 -12.167 11.506 20 HH21 ARG 9 HH21 ARG 9 -28.198 -12.592 8.003 21 HH22 ARG 9 HH22 ARG 9 -29.241 -12.538 9.344 22 H GLU 10 HN GLU 10 -20.615 -7.852 8.305 23 HA GLU 10 HA GLU 10 -18.403 -7.821 10.072 24 HB2 GLU 10 HB2 GLU 10 -19.631 -5.660 8.383 25 HB3 GLU 10 HB1 GLU 10 -18.261 -5.357 9.427 26 HG2 GLU 10 HG2 GLU 10 -17.489 -5.672 7.170 27 HG3 GLU 10 HG1 GLU 10 -16.948 -7.020 8.157 28 H ASN 11 HN ASN 11 -18.767 -7.849 12.129 29 HA ASN 11 HA ASN 11 -20.730 -6.070 13.325 30 HB2 ASN 11 HB2 ASN 11 -19.011 -8.280 14.471 31 HB3 ASN 11 HB1 ASN 11 -19.923 -7.197 15.504 32 HD21 ASN 11 HD21 ASN 11 -21.135 -8.912 16.303 33 HD22 ASN 11 HD22 ASN 11 -22.365 -9.692 15.384 34 H LEU 12 HN LEU 12 -17.909 -5.753 12.131 35 HA LEU 12 HA LEU 12 -16.996 -3.653 13.972 36 HB2 LEU 12 HB2 LEU 12 -15.441 -5.615 13.832 37 HB3 LEU 12 HB1 LEU 12 -15.342 -5.346 12.102 38 HG LEU 12 HG LEU 12 -14.506 -3.055 12.612 39 HD11 LEU 12 HD11 LEU 12 -15.242 -2.798 14.869 40 HD12 LEU 12 HD12 LEU 12 -13.486 -2.665 14.809 41 HD13 LEU 12 HD13 LEU 12 -14.240 -4.150 15.393 42 HD21 LEU 12 HD21 LEU 12 -12.205 -3.811 13.068 43 HD22 LEU 12 HD22 LEU 12 -13.013 -4.832 11.878 44 HD23 LEU 12 HD23 LEU 12 -12.835 -5.390 13.540 45 H TYR 13 HN TYR 13 -18.301 -2.204 12.967 46 HA TYR 13 HA TYR 13 -18.041 -1.802 10.104 47 HB2 TYR 13 HB2 TYR 13 -20.284 -1.657 11.219 48 HB3 TYR 13 HB1 TYR 13 -19.688 -0.307 12.173 49 HD1 TYR 13 HD1 TYR 13 -20.565 -1.406 8.765 50 HD2 TYR 13 HD2 TYR 13 -19.637 1.904 11.272 51 HE1 TYR 13 HE1 TYR 13 -21.286 0.128 6.997 52 HE2 TYR 13 HE2 TYR 13 -20.354 3.450 9.506 53 HH TYR 13 HH TYR 13 -20.618 3.475 7.166 54 H PHE 14 HN PHE 14 -17.117 0.110 9.230 55 HA PHE 14 HA PHE 14 -15.265 1.357 11.104 56 HB2 PHE 14 HB2 PHE 14 -15.098 1.132 8.094 57 HB3 PHE 14 HB1 PHE 14 -13.892 1.882 9.135 58 HD1 PHE 14 HD2 PHE 14 -12.724 0.437 10.856 59 HD2 PHE 14 HD1 PHE 14 -15.076 -1.182 7.701 60 HE1 PHE 14 HE2 PHE 14 -11.642 -1.742 11.171 61 HE2 PHE 14 HE1 PHE 14 -14.002 -3.365 8.015 62 HZ PHE 14 HZ PHE 14 -12.280 -3.651 9.751 63 H GLN 15 HN GLN 15 -15.715 3.311 11.735 64 HA GLN 15 HA GLN 15 -17.512 4.937 10.164 65 HB2 GLN 15 HB2 GLN 15 -18.029 4.634 12.553 66 HB3 GLN 15 HB1 GLN 15 -16.480 5.342 12.988 67 HG2 GLN 15 HG2 GLN 15 -17.172 7.475 12.026 68 HG3 GLN 15 HG1 GLN 15 -18.702 6.759 11.526 69 HE21 GLN 15 HE21 GLN 15 -16.839 7.913 14.200 70 HE22 GLN 15 HE22 GLN 15 -18.112 7.961 15.353 71 H GLY 16 HN GLY 16 -16.055 5.243 8.635 72 HA2 GLY 16 HA2 GLY 16 -14.705 7.724 8.730 73 HA3 GLY 16 HA1 GLY 16 -13.530 6.417 8.850 74 H HIS 17 HN HIS 17 -16.477 7.018 6.971 75 HA HIS 17 HA HIS 17 -14.963 6.245 4.628 76 HB2 HIS 17 HB2 HIS 17 -17.100 5.266 3.785 77 HB3 HIS 17 HB1 HIS 17 -16.331 4.354 5.089 78 HD1 HIS 17 HD1 HIS 17 -19.499 6.089 4.138 79 HD2 HIS 17 HD2 HIS 17 -17.743 4.529 7.568 80 HE1 HIS 17 HE1 HIS 17 -21.313 5.955 5.846 81 H MET 18 HN MET 18 -15.413 7.336 2.747 82 HA MET 18 HA MET 18 -17.321 9.558 2.930 83 HB2 MET 18 HB2 MET 18 -14.567 9.544 1.715 84 HB3 MET 18 HB1 MET 18 -15.730 10.814 1.399 85 HG2 MET 18 HG2 MET 18 -15.762 11.306 3.840 86 HG3 MET 18 HG1 MET 18 -14.538 10.063 4.074 87 HE1 MET 18 HE1 MET 18 -14.243 13.015 5.144 88 HE2 MET 18 HE2 MET 18 -12.569 13.367 4.722 89 HE3 MET 18 HE3 MET 18 -13.007 11.775 5.349 90 H ALA 19 HN ALA 19 -18.837 9.442 1.416 91 HA ALA 19 HA ALA 19 -18.483 7.553 -0.693 92 HB1 ALA 19 HB1 ALA 19 -20.842 7.977 -1.242 93 HB2 ALA 19 HB2 ALA 19 -20.881 9.277 -0.054 94 HB3 ALA 19 HB3 ALA 19 -20.636 7.611 0.470 95 H ALA 20 HN ALA 20 -16.771 8.740 -1.535 96 HA ALA 20 HA ALA 20 -15.691 10.033 -2.987 97 HB1 ALA 20 HB1 ALA 20 -16.701 10.399 -5.160 98 HB2 ALA 20 HB2 ALA 20 -18.308 10.141 -4.478 99 HB3 ALA 20 HB3 ALA 20 -17.155 8.806 -4.548 100 HA PRO 21 HA PRO 21 -16.688 14.138 -1.241 101 HB2 PRO 21 HB2 PRO 21 -13.775 14.364 -1.746 102 HB3 PRO 21 HB1 PRO 21 -14.667 14.718 -0.244 103 HG2 PRO 21 HG2 PRO 21 -13.107 12.592 -0.406 104 HG3 PRO 21 HG1 PRO 21 -14.661 12.535 0.452 105 HD2 PRO 21 HD2 PRO 21 -13.971 11.461 -2.241 106 HD3 PRO 21 HD1 PRO 21 -15.013 10.774 -0.976 107 H ALA 22 HN ALA 22 -14.124 13.601 -3.630 108 HA ALA 22 HA ALA 22 -15.040 15.716 -5.355 109 HB1 ALA 22 HB1 ALA 22 -13.046 13.466 -5.790 110 HB2 ALA 22 HB2 ALA 22 -12.648 15.107 -5.289 111 HB3 ALA 22 HB3 ALA 22 -13.304 14.810 -6.900 112 H ARG 23 HN ARG 23 -16.664 15.423 -6.775 113 HA ARG 23 HA ARG 23 -17.411 12.643 -7.320 114 HB2 ARG 23 HB2 ARG 23 -18.801 13.518 -5.466 115 HB3 ARG 23 HB1 ARG 23 -19.398 14.781 -6.529 116 HG2 ARG 23 HG2 ARG 23 -20.455 13.124 -7.943 117 HG3 ARG 23 HG1 ARG 23 -19.775 11.827 -6.964 118 HD2 ARG 23 HD2 ARG 23 -21.651 13.934 -5.926 119 HD3 ARG 23 HD1 ARG 23 -22.168 12.350 -6.491 120 HE ARG 23 HE ARG 23 -20.158 12.208 -4.457 121 HH11 ARG 23 HH11 ARG 23 -23.613 12.679 -4.992 122 HH12 ARG 23 HH12 ARG 23 -24.101 11.974 -3.517 123 HH21 ARG 23 HH21 ARG 23 -20.818 11.226 -2.384 124 HH22 ARG 23 HH22 ARG 23 -22.468 11.142 -1.991 125 H PHE 24 HN PHE 24 -16.580 15.520 -8.696 126 HA PHE 24 HA PHE 24 -17.872 14.592 -11.131 127 HB2 PHE 24 HB2 PHE 24 -17.331 17.525 -10.503 128 HB3 PHE 24 HB1 PHE 24 -17.938 16.863 -12.005 129 HD1 PHE 24 HD1 PHE 24 -18.813 17.517 -8.488 130 HD2 PHE 24 HD2 PHE 24 -20.178 16.246 -12.307 131 HE1 PHE 24 HE1 PHE 24 -21.127 17.737 -7.724 132 HE2 PHE 24 HE2 PHE 24 -22.498 16.462 -11.550 133 HZ PHE 24 HZ PHE 24 -22.983 17.210 -9.260 134 H CYS 25 HN CYS 25 -16.636 15.500 -13.032 135 HA CYS 25 HA CYS 25 -13.771 15.640 -12.447 136 HB2 CYS 25 HB2 CYS 25 -14.624 13.278 -13.073 137 HB3 CYS 25 HB1 CYS 25 -14.903 13.990 -14.674 138 H VAL 26 HN VAL 26 -12.683 16.793 -14.002 139 HA VAL 26 HA VAL 26 -14.388 18.314 -15.911 140 HB VAL 26 HB VAL 26 -11.772 19.291 -14.798 141 HG11 VAL 26 HG11 VAL 26 -12.660 21.478 -15.386 142 HG12 VAL 26 HG12 VAL 26 -14.142 20.714 -15.961 143 HG13 VAL 26 HG13 VAL 26 -12.608 20.381 -16.766 144 HG21 VAL 26 HG21 VAL 26 -13.154 18.891 -12.835 145 HG22 VAL 26 HG22 VAL 26 -14.477 19.812 -13.557 146 HG23 VAL 26 HG23 VAL 26 -12.975 20.623 -13.117 147 H TYR 27 HN TYR 27 -13.928 17.963 -17.940 148 HA TYR 27 HA TYR 27 -11.302 16.842 -18.625 149 HB2 TYR 27 HB2 TYR 27 -13.934 16.646 -20.099 150 HB3 TYR 27 HB1 TYR 27 -12.364 16.151 -20.744 151 HD1 TYR 27 HD1 TYR 27 -14.667 15.521 -17.878 152 HD2 TYR 27 HD2 TYR 27 -11.607 13.997 -20.395 153 HE1 TYR 27 HE1 TYR 27 -14.940 13.301 -16.862 154 HE2 TYR 27 HE2 TYR 27 -11.873 11.783 -19.386 155 HH TYR 27 HH TYR 27 -14.523 10.970 -17.447 156 H TYR 28 HN TYR 28 -10.123 17.664 -20.241 157 HA TYR 28 HA TYR 28 -11.015 20.177 -21.510 158 HB2 TYR 28 HB2 TYR 28 -8.222 19.804 -20.476 159 HB3 TYR 28 HB1 TYR 28 -8.996 21.266 -21.066 160 HD1 TYR 28 HD1 TYR 28 -10.390 22.603 -19.559 161 HD2 TYR 28 HD2 TYR 28 -8.495 19.034 -18.245 162 HE1 TYR 28 HE1 TYR 28 -10.707 23.289 -17.223 163 HE2 TYR 28 HE2 TYR 28 -8.811 19.706 -15.936 164 HH TYR 28 HH TYR 28 -9.162 21.551 -14.671 165 H ASP 29 HN ASP 29 -9.942 20.537 -23.484 166 HA ASP 29 HA ASP 29 -8.337 18.328 -24.596 167 HB2 ASP 29 HB2 ASP 29 -10.131 19.439 -26.044 168 HB3 ASP 29 HB1 ASP 29 -9.204 20.934 -25.905 169 H GLY 30 HN GLY 30 -6.222 18.526 -24.024 170 HA2 GLY 30 HA2 GLY 30 -4.524 20.375 -24.881 171 HA3 GLY 30 HA1 GLY 30 -5.190 21.188 -23.470 172 H HIS 31 HN HIS 31 -2.573 20.304 -24.116 173 HA HIS 31 HA HIS 31 -1.988 18.200 -22.200 174 HB2 HIS 31 HB2 HIS 31 0.309 18.348 -23.006 175 HB3 HIS 31 HB1 HIS 31 -0.786 18.311 -24.398 176 HD1 HIS 31 HD1 HIS 31 2.027 20.164 -23.017 177 HD2 HIS 31 HD2 HIS 31 -1.182 21.014 -25.504 178 HE1 HIS 31 HE1 HIS 31 2.597 22.328 -24.159 179 H LEU 32 HN LEU 32 -2.432 21.517 -22.176 180 HA LEU 32 HA LEU 32 -0.674 21.922 -19.872 181 HB2 LEU 32 HB2 LEU 32 0.237 22.876 -21.999 182 HB3 LEU 32 HB1 LEU 32 -1.213 23.842 -22.144 183 HG LEU 32 HG LEU 32 -0.601 24.893 -19.957 184 HD11 LEU 32 HD11 LEU 32 1.721 24.754 -19.229 185 HD12 LEU 32 HD12 LEU 32 2.059 23.596 -20.509 186 HD13 LEU 32 HD13 LEU 32 0.986 23.147 -19.194 187 HD21 LEU 32 HD21 LEU 32 1.285 25.235 -22.285 188 HD22 LEU 32 HD22 LEU 32 1.068 26.392 -20.971 189 HD23 LEU 32 HD23 LEU 32 -0.269 26.041 -22.065 190 HA PRO 33 HA PRO 33 -4.691 23.168 -18.273 191 HB2 PRO 33 HB2 PRO 33 -3.894 24.051 -15.859 192 HB3 PRO 33 HB1 PRO 33 -3.869 22.319 -16.269 193 HG2 PRO 33 HG2 PRO 33 -1.615 24.264 -16.323 194 HG3 PRO 33 HG1 PRO 33 -1.670 22.632 -15.632 195 HD2 PRO 33 HD2 PRO 33 -0.594 23.082 -18.020 196 HD3 PRO 33 HD1 PRO 33 -1.509 21.592 -17.660 197 H ALA 34 HN ALA 34 -2.296 25.176 -19.232 198 HA ALA 34 HA ALA 34 -3.560 27.633 -18.298 199 HB1 ALA 34 HB1 ALA 34 -1.669 28.805 -19.279 200 HB2 ALA 34 HB2 ALA 34 -1.093 27.305 -20.000 201 HB3 ALA 34 HB3 ALA 34 -1.110 27.489 -18.248 202 H THR 35 HN THR 35 -2.929 25.966 -21.417 203 HA THR 35 HA THR 35 -4.524 28.007 -22.778 204 HB THR 35 HB THR 35 -3.342 27.000 -24.795 205 HG1 THR 35 HG1 THR 35 -1.903 25.490 -24.454 206 HG21 THR 35 HG21 THR 35 -1.254 28.228 -24.351 207 HG22 THR 35 HG22 THR 35 -1.636 28.272 -22.634 208 HG23 THR 35 HG23 THR 35 -2.646 29.150 -23.784 209 H ARG 36 HN ARG 36 -5.245 25.328 -21.366 210 HA ARG 36 HA ARG 36 -6.067 23.539 -23.437 211 HB2 ARG 36 HB2 ARG 36 -6.802 22.105 -21.772 212 HB3 ARG 36 HB1 ARG 36 -5.508 22.984 -21.018 213 HG2 ARG 36 HG2 ARG 36 -8.438 23.577 -20.585 214 HG3 ARG 36 HG1 ARG 36 -7.453 22.587 -19.530 215 HD2 ARG 36 HD2 ARG 36 -7.597 24.648 -18.463 216 HD3 ARG 36 HD1 ARG 36 -6.012 24.694 -19.225 217 HE ARG 36 HE ARG 36 -7.673 25.908 -21.018 218 HH11 ARG 36 HH11 ARG 36 -6.909 26.444 -17.597 219 HH12 ARG 36 HH12 ARG 36 -7.284 28.096 -17.608 220 HH21 ARG 36 HH21 ARG 36 -8.203 28.221 -21.061 221 HH22 ARG 36 HH22 ARG 36 -8.039 29.122 -19.625 222 H VAL 37 HN VAL 37 -8.324 22.816 -23.801 223 HA VAL 37 HA VAL 37 -10.187 25.085 -23.666 224 HB VAL 37 HB VAL 37 -10.302 22.629 -25.450 225 HG11 VAL 37 HG11 VAL 37 -12.508 23.558 -25.004 226 HG12 VAL 37 HG12 VAL 37 -12.044 23.848 -26.681 227 HG13 VAL 37 HG13 VAL 37 -11.952 25.156 -25.504 228 HG21 VAL 37 HG21 VAL 37 -9.464 25.450 -26.134 229 HG22 VAL 37 HG22 VAL 37 -9.682 24.137 -27.293 230 HG23 VAL 37 HG23 VAL 37 -8.417 24.033 -26.067 231 H LEU 38 HN LEU 38 -11.707 24.899 -22.153 232 HA LEU 38 HA LEU 38 -12.154 22.578 -20.600 233 HB2 LEU 38 HB2 LEU 38 -12.509 24.900 -19.797 234 HB3 LEU 38 HB1 LEU 38 -13.791 25.107 -20.955 235 HG LEU 38 HG LEU 38 -14.500 24.863 -18.552 236 HD11 LEU 38 HD11 LEU 38 -16.397 23.383 -18.959 237 HD12 LEU 38 HD12 LEU 38 -15.631 22.816 -20.443 238 HD13 LEU 38 HD13 LEU 38 -16.129 24.501 -20.297 239 HD21 LEU 38 HD21 LEU 38 -13.669 22.003 -18.959 240 HD22 LEU 38 HD22 LEU 38 -14.571 22.633 -17.582 241 HD23 LEU 38 HD23 LEU 38 -12.916 23.168 -17.871 242 H LEU 39 HN LEU 39 -13.408 20.836 -21.031 243 HA LEU 39 HA LEU 39 -15.139 21.065 -23.368 244 HB2 LEU 39 HB2 LEU 39 -14.033 18.616 -22.018 245 HB3 LEU 39 HB1 LEU 39 -15.086 18.598 -23.418 246 HG LEU 39 HG LEU 39 -12.290 19.742 -23.323 247 HD11 LEU 39 HD11 LEU 39 -13.382 17.269 -24.628 248 HD12 LEU 39 HD12 LEU 39 -12.307 17.334 -23.229 249 HD13 LEU 39 HD13 LEU 39 -11.741 17.890 -24.803 250 HD21 LEU 39 HD21 LEU 39 -13.685 20.984 -24.897 251 HD22 LEU 39 HD22 LEU 39 -14.217 19.472 -25.632 252 HD23 LEU 39 HD23 LEU 39 -12.531 19.969 -25.759 253 H MET 40 HN MET 40 -15.262 19.315 -20.172 254 HA MET 40 HA MET 40 -17.834 20.244 -19.559 255 HB2 MET 40 HB2 MET 40 -19.178 18.231 -19.925 256 HB3 MET 40 HB1 MET 40 -18.607 18.916 -21.450 257 HG2 MET 40 HG2 MET 40 -16.933 17.200 -21.616 258 HG3 MET 40 HG1 MET 40 -17.380 16.607 -20.017 259 HE1 MET 40 HE1 MET 40 -20.160 16.334 -23.715 260 HE2 MET 40 HE2 MET 40 -18.553 17.059 -23.740 261 HE3 MET 40 HE3 MET 40 -19.859 17.845 -22.855 262 H TYR 41 HN TYR 41 -18.827 19.145 -17.881 263 HA TYR 41 HA TYR 41 -16.900 18.000 -16.010 264 HB2 TYR 41 HB2 TYR 41 -19.550 19.408 -15.605 265 HB3 TYR 41 HB1 TYR 41 -18.635 18.634 -14.304 266 HD1 TYR 41 HD1 TYR 41 -18.472 21.333 -16.865 267 HD2 TYR 41 HD2 TYR 41 -16.935 19.815 -13.203 268 HE1 TYR 41 HE1 TYR 41 -17.217 23.415 -16.536 269 HE2 TYR 41 HE2 TYR 41 -15.674 21.897 -12.866 270 HH TYR 41 HH TYR 41 -16.286 24.648 -14.725 271 H VAL 42 HN VAL 42 -17.329 16.061 -15.139 272 HA VAL 42 HA VAL 42 -19.647 14.608 -16.238 273 HB VAL 42 HB VAL 42 -16.805 13.593 -15.902 274 HG11 VAL 42 HG11 VAL 42 -17.581 11.447 -16.794 275 HG12 VAL 42 HG12 VAL 42 -19.240 12.040 -16.787 276 HG13 VAL 42 HG13 VAL 42 -18.380 11.819 -15.264 277 HG21 VAL 42 HG21 VAL 42 -18.546 13.919 -18.337 278 HG22 VAL 42 HG22 VAL 42 -16.918 13.240 -18.317 279 HG23 VAL 42 HG23 VAL 42 -17.174 14.932 -17.893 280 H ARG 43 HN ARG 43 -20.737 13.321 -14.911 281 HA ARG 43 HA ARG 43 -20.477 13.644 -12.060 282 HB2 ARG 43 HB2 ARG 43 -22.627 13.506 -13.391 283 HB3 ARG 43 HB1 ARG 43 -22.257 11.818 -13.679 284 HG2 ARG 43 HG2 ARG 43 -23.726 11.699 -11.940 285 HG3 ARG 43 HG1 ARG 43 -22.178 11.669 -11.091 286 HD2 ARG 43 HD2 ARG 43 -23.719 13.201 -9.994 287 HD3 ARG 43 HD1 ARG 43 -22.378 14.093 -10.707 288 HE ARG 43 HE ARG 43 -23.805 14.815 -12.461 289 HH11 ARG 43 HH11 ARG 43 -25.577 13.202 -9.793 290 HH12 ARG 43 HH12 ARG 43 -27.071 13.870 -10.252 291 HH21 ARG 43 HH21 ARG 43 -25.891 15.661 -13.047 292 HH22 ARG 43 HH22 ARG 43 -27.269 15.248 -12.122 293 H ILE 44 HN ILE 44 -18.933 12.379 -11.008 294 HA ILE 44 HA ILE 44 -17.888 10.064 -12.215 295 HB ILE 44 HB ILE 44 -17.565 11.053 -9.362 296 HG12 ILE 44 HG12 ILE 44 -15.809 11.231 -11.825 297 HG13 ILE 44 HG11 ILE 44 -16.616 12.558 -11.008 298 HG21 ILE 44 HG21 ILE 44 -16.063 8.826 -10.769 299 HG22 ILE 44 HG22 ILE 44 -17.202 8.627 -9.437 300 HG23 ILE 44 HG23 ILE 44 -15.681 9.481 -9.173 301 HD11 ILE 44 HD11 ILE 44 -15.160 12.137 -9.031 302 HD12 ILE 44 HD12 ILE 44 -14.295 12.605 -10.497 303 HD13 ILE 44 HD13 ILE 44 -14.321 10.914 -10.003 304 H GLY 45 HN GLY 45 -18.446 8.047 -12.179 305 HA2 GLY 45 HA2 GLY 45 -19.460 6.213 -11.001 306 HA3 GLY 45 HA1 GLY 45 -20.725 7.337 -10.495 307 H THR 46 HN THR 46 -20.501 8.611 -13.241 308 HA THR 46 HA THR 46 -22.214 6.623 -14.637 309 HB THR 46 HB THR 46 -23.374 8.504 -15.659 310 HG1 THR 46 HG1 THR 46 -21.496 10.020 -14.175 311 HG21 THR 46 HG21 THR 46 -24.514 9.397 -13.669 312 HG22 THR 46 HG22 THR 46 -23.252 8.699 -12.650 313 HG23 THR 46 HG23 THR 46 -24.309 7.651 -13.597 314 H THR 47 HN THR 47 -22.437 7.116 -16.882 315 HA THR 47 HA THR 47 -19.805 7.373 -18.084 316 HB THR 47 HB THR 47 -20.930 6.562 -20.114 317 HG1 THR 47 HG1 THR 47 -23.016 5.891 -20.055 318 HG21 THR 47 HG21 THR 47 -21.100 4.741 -17.705 319 HG22 THR 47 HG22 THR 47 -19.696 4.998 -18.741 320 HG23 THR 47 HG23 THR 47 -21.126 4.189 -19.381 321 H ALA 48 HN ALA 48 -19.571 8.644 -19.869 322 HA ALA 48 HA ALA 48 -21.599 10.663 -20.493 323 HB1 ALA 48 HB1 ALA 48 -18.878 11.449 -19.457 324 HB2 ALA 48 HB2 ALA 48 -20.404 11.646 -18.592 325 HB3 ALA 48 HB3 ALA 48 -20.112 12.547 -20.079 326 H THR 49 HN THR 49 -21.152 11.834 -22.339 327 HA THR 49 HA THR 49 -19.250 10.462 -24.095 328 HB THR 49 HB THR 49 -21.621 12.149 -24.934 329 HG1 THR 49 HG1 THR 49 -21.570 9.276 -24.838 330 HG21 THR 49 HG21 THR 49 -19.865 11.789 -26.626 331 HG22 THR 49 HG22 THR 49 -21.351 10.952 -27.061 332 HG23 THR 49 HG23 THR 49 -19.994 10.046 -26.392 333 H ILE 50 HN ILE 50 -17.433 11.634 -24.180 334 HA ILE 50 HA ILE 50 -17.495 14.573 -23.985 335 HB ILE 50 HB ILE 50 -15.091 12.850 -24.496 336 HG12 ILE 50 HG12 ILE 50 -16.196 11.889 -22.500 337 HG13 ILE 50 HG11 ILE 50 -14.647 12.633 -22.091 338 HG21 ILE 50 HG21 ILE 50 -13.874 14.651 -23.329 339 HG22 ILE 50 HG22 ILE 50 -15.398 15.512 -23.119 340 HG23 ILE 50 HG23 ILE 50 -14.764 15.223 -24.740 341 HD11 ILE 50 HD11 ILE 50 -15.850 14.580 -21.224 342 HD12 ILE 50 HD12 ILE 50 -16.328 13.085 -20.412 343 HD13 ILE 50 HD13 ILE 50 -17.382 13.804 -21.627 344 H THR 51 HN THR 51 -16.950 15.753 -25.802 345 HA THR 51 HA THR 51 -16.346 14.244 -28.253 346 HB THR 51 HB THR 51 -18.185 16.647 -28.123 347 HG1 THR 51 HG1 THR 51 -18.795 14.415 -27.261 348 HG21 THR 51 HG21 THR 51 -18.713 16.045 -30.446 349 HG22 THR 51 HG22 THR 51 -17.576 14.700 -30.362 350 HG23 THR 51 HG23 THR 51 -16.987 16.361 -30.268 351 H ALA 52 HN ALA 52 -14.381 14.805 -28.823 352 HA ALA 52 HA ALA 52 -13.701 17.615 -28.981 353 HB1 ALA 52 HB1 ALA 52 -12.902 16.967 -26.766 354 HB2 ALA 52 HB2 ALA 52 -11.551 17.297 -27.852 355 HB3 ALA 52 HB3 ALA 52 -11.999 15.630 -27.477 356 H ARG 53 HN ARG 53 -12.561 18.021 -30.723 357 HA ARG 53 HA ARG 53 -11.537 17.835 -32.684 358 HB2 ARG 53 HB2 ARG 53 -10.275 15.402 -31.439 359 HB3 ARG 53 HB1 ARG 53 -9.722 16.182 -32.930 360 HG2 ARG 53 HG2 ARG 53 -9.282 18.223 -31.697 361 HG3 ARG 53 HG1 ARG 53 -9.849 17.443 -30.206 362 HD2 ARG 53 HD2 ARG 53 -8.142 15.739 -30.584 363 HD3 ARG 53 HD1 ARG 53 -7.444 16.745 -31.865 364 HE ARG 53 HE ARG 53 -7.857 18.139 -29.389 365 HH11 ARG 53 HH11 ARG 53 -5.485 16.052 -31.058 366 HH12 ARG 53 HH12 ARG 53 -4.160 16.651 -30.190 367 HH21 ARG 53 HH21 ARG 53 -6.076 18.942 -28.247 368 HH22 ARG 53 HH22 ARG 53 -4.480 18.371 -28.544 369 H GLY 54 HN GLY 54 -14.049 16.574 -32.268 370 HA2 GLY 54 HA2 GLY 54 -15.579 15.545 -33.712 371 HA3 GLY 54 HA1 GLY 54 -14.222 15.050 -34.730 372 H HIS 55 HN HIS 55 -13.487 14.112 -31.616 373 HA HIS 55 HA HIS 55 -14.465 11.428 -32.219 374 HB2 HIS 55 HB2 HIS 55 -12.263 12.339 -30.346 375 HB3 HIS 55 HB1 HIS 55 -12.759 10.661 -30.590 376 HD1 HIS 55 HD1 HIS 55 -11.503 9.421 -32.426 377 HD2 HIS 55 HD2 HIS 55 -11.066 13.541 -32.673 378 HE1 HIS 55 HE1 HIS 55 -9.799 9.838 -34.228 379 H GLU 56 HN GLU 56 -15.985 10.568 -30.986 380 HA GLU 56 HA GLU 56 -16.857 12.022 -28.608 381 HB2 GLU 56 HB2 GLU 56 -18.150 9.765 -30.118 382 HB3 GLU 56 HB1 GLU 56 -18.871 10.707 -28.810 383 HG2 GLU 56 HG2 GLU 56 -18.890 12.665 -30.207 384 HG3 GLU 56 HG1 GLU 56 -18.079 11.788 -31.502 385 H PHE 57 HN PHE 57 -15.980 11.222 -26.822 386 HA PHE 57 HA PHE 57 -15.137 8.425 -26.740 387 HB2 PHE 57 HB2 PHE 57 -14.502 10.682 -24.837 388 HB3 PHE 57 HB1 PHE 57 -13.773 9.074 -24.873 389 HD1 PHE 57 HD2 PHE 57 -12.392 8.449 -26.911 390 HD2 PHE 57 HD1 PHE 57 -13.627 12.431 -26.054 391 HE1 PHE 57 HE2 PHE 57 -10.646 9.315 -28.414 392 HE2 PHE 57 HE1 PHE 57 -11.898 13.302 -27.548 393 HZ PHE 57 HZ PHE 57 -10.407 11.755 -28.737 394 H GLU 58 HN GLU 58 -16.630 7.131 -25.823 395 HA GLU 58 HA GLU 58 -18.418 8.259 -23.850 396 HB2 GLU 58 HB2 GLU 58 -19.339 6.616 -25.478 397 HB3 GLU 58 HB1 GLU 58 -18.156 5.430 -24.918 398 HG2 GLU 58 HG2 GLU 58 -19.175 5.384 -22.754 399 HG3 GLU 58 HG1 GLU 58 -20.294 6.637 -23.300 400 H VAL 59 HN VAL 59 -17.567 8.537 -21.976 401 HA VAL 59 HA VAL 59 -15.400 6.768 -21.094 402 HB VAL 59 HB VAL 59 -14.623 8.563 -19.674 403 HG11 VAL 59 HG11 VAL 59 -15.179 9.629 -22.431 404 HG12 VAL 59 HG12 VAL 59 -13.785 8.675 -21.923 405 HG13 VAL 59 HG13 VAL 59 -14.014 10.305 -21.295 406 HG21 VAL 59 HG21 VAL 59 -16.980 10.202 -20.627 407 HG22 VAL 59 HG22 VAL 59 -15.662 10.802 -19.619 408 HG23 VAL 59 HG23 VAL 59 -16.748 9.552 -19.004 409 H GLU 60 HN GLU 60 -15.474 6.062 -18.971 410 HA GLU 60 HA GLU 60 -17.958 6.642 -17.591 411 HB2 GLU 60 HB2 GLU 60 -17.854 4.243 -18.300 412 HB3 GLU 60 HB1 GLU 60 -16.338 4.086 -17.410 413 HG2 GLU 60 HG2 GLU 60 -17.441 4.498 -15.325 414 HG3 GLU 60 HG1 GLU 60 -18.946 4.873 -16.146 415 H ALA 61 HN ALA 61 -17.611 7.835 -15.939 416 HA ALA 61 HA ALA 61 -14.923 8.241 -14.974 417 HB1 ALA 61 HB1 ALA 61 -16.001 9.805 -13.365 418 HB2 ALA 61 HB2 ALA 61 -17.576 9.299 -14.003 419 HB3 ALA 61 HB3 ALA 61 -16.434 10.142 -15.042 420 H LYS 62 HN LYS 62 -14.204 6.414 -14.123 421 HA LYS 62 HA LYS 62 -15.783 4.585 -12.624 422 HB2 LYS 62 HB2 LYS 62 -12.801 4.766 -12.868 423 HB3 LYS 62 HB1 LYS 62 -13.698 3.380 -12.291 424 HG2 LYS 62 HG2 LYS 62 -13.790 4.532 -15.064 425 HG3 LYS 62 HG1 LYS 62 -12.913 3.086 -14.530 426 HD2 LYS 62 HD2 LYS 62 -15.915 3.470 -14.434 427 HD3 LYS 62 HD1 LYS 62 -15.059 2.559 -15.674 428 HE2 LYS 62 HE2 LYS 62 -14.284 0.978 -13.982 429 HE3 LYS 62 HE1 LYS 62 -15.076 1.922 -12.723 430 HZ1 LYS 62 HZ1 LYS 62 -16.399 -0.004 -13.433 431 HZ2 LYS 62 HZ2 LYS 62 -16.515 0.662 -14.993 432 HZ3 LYS 62 HZ3 LYS 62 -17.194 1.450 -13.696 433 H ASP 63 HN ASP 63 -13.003 6.551 -11.689 434 HA ASP 63 HA ASP 63 -13.846 6.166 -8.913 435 HB2 ASP 63 HB2 ASP 63 -11.957 4.752 -9.347 436 HB3 ASP 63 HB1 ASP 63 -11.078 6.077 -10.100 437 H GLN 64 HN GLN 64 -13.123 7.758 -7.425 438 HA GLN 64 HA GLN 64 -13.727 10.350 -8.290 439 HB2 GLN 64 HB2 GLN 64 -13.265 11.052 -5.939 440 HB3 GLN 64 HB1 GLN 64 -14.450 9.784 -6.127 441 HG2 GLN 64 HG2 GLN 64 -13.173 9.237 -4.216 442 HG3 GLN 64 HG1 GLN 64 -12.653 8.139 -5.478 443 HE21 GLN 64 HE21 GLN 64 -11.541 11.483 -5.303 444 HE22 GLN 64 HE22 GLN 64 -9.931 11.109 -4.848 445 H ASN 65 HN ASN 65 -10.802 8.833 -8.549 446 HA ASN 65 HA ASN 65 -9.271 11.335 -8.336 447 HB2 ASN 65 HB2 ASN 65 -8.334 9.171 -7.455 448 HB3 ASN 65 HB1 ASN 65 -8.352 8.554 -9.112 449 HD21 ASN 65 HD21 ASN 65 -6.171 8.220 -9.200 450 HD22 ASN 65 HD22 ASN 65 -5.031 9.502 -9.255 451 H CYS 66 HN CYS 66 -11.309 10.102 -10.400 452 HA CYS 66 HA CYS 66 -11.837 10.230 -12.514 453 HB2 CYS 66 HB2 CYS 66 -9.619 12.250 -12.644 454 HB3 CYS 66 HB1 CYS 66 -10.598 11.816 -14.058 455 H LYS 67 HN LYS 67 -10.936 7.972 -12.128 456 HA LYS 67 HA LYS 67 -8.823 7.468 -13.843 457 HB2 LYS 67 HB2 LYS 67 -9.831 6.045 -11.815 458 HB3 LYS 67 HB1 LYS 67 -10.789 5.379 -13.150 459 HG2 LYS 67 HG2 LYS 67 -8.903 3.959 -12.586 460 HG3 LYS 67 HG1 LYS 67 -8.783 4.601 -14.229 461 HD2 LYS 67 HD2 LYS 67 -7.660 6.298 -12.210 462 HD3 LYS 67 HD1 LYS 67 -6.779 4.744 -12.351 463 HE2 LYS 67 HE2 LYS 67 -6.404 5.183 -14.656 464 HE3 LYS 67 HE1 LYS 67 -7.536 6.536 -14.606 465 HZ1 LYS 67 HZ1 LYS 67 -5.167 7.288 -14.588 466 HZ2 LYS 67 HZ2 LYS 67 -4.880 6.370 -13.235 467 HZ3 LYS 67 HZ3 LYS 67 -5.879 7.705 -13.122 468 H VAL 68 HN VAL 68 -9.377 8.200 -15.835 469 HA VAL 68 HA VAL 68 -12.018 7.818 -16.830 470 HB VAL 68 HB VAL 68 -11.079 9.957 -17.332 471 HG11 VAL 68 HG11 VAL 68 -8.712 9.462 -17.210 472 HG12 VAL 68 HG12 VAL 68 -9.083 10.289 -18.723 473 HG13 VAL 68 HG13 VAL 68 -8.807 8.546 -18.712 474 HG21 VAL 68 HG21 VAL 68 -11.228 8.238 -19.801 475 HG22 VAL 68 HG22 VAL 68 -11.190 9.986 -19.833 476 HG23 VAL 68 HG23 VAL 68 -12.539 9.153 -19.053 477 H ILE 69 HN ILE 69 -12.469 5.883 -17.217 478 HA ILE 69 HA ILE 69 -10.924 4.479 -19.249 479 HB ILE 69 HB ILE 69 -12.378 3.308 -16.843 480 HG12 ILE 69 HG12 ILE 69 -9.453 3.206 -17.565 481 HG13 ILE 69 HG11 ILE 69 -10.152 4.397 -16.481 482 HG21 ILE 69 HG21 ILE 69 -10.887 1.899 -19.072 483 HG22 ILE 69 HG22 ILE 69 -12.633 1.872 -18.828 484 HG23 ILE 69 HG23 ILE 69 -11.565 1.122 -17.640 485 HD11 ILE 69 HD11 ILE 69 -9.074 2.561 -15.292 486 HD12 ILE 69 HD12 ILE 69 -10.175 1.413 -16.069 487 HD13 ILE 69 HD13 ILE 69 -10.799 2.640 -14.955 488 H LEU 70 HN LEU 70 -12.061 4.071 -20.915 489 HA LEU 70 HA LEU 70 -14.758 5.015 -21.129 490 HB2 LEU 70 HB2 LEU 70 -13.468 3.235 -23.131 491 HB3 LEU 70 HB1 LEU 70 -14.683 4.450 -23.388 492 HG LEU 70 HG LEU 70 -11.825 4.864 -22.798 493 HD11 LEU 70 HD11 LEU 70 -13.414 5.346 -25.328 494 HD12 LEU 70 HD12 LEU 70 -12.207 4.091 -25.075 495 HD13 LEU 70 HD13 LEU 70 -11.719 5.786 -25.119 496 HD21 LEU 70 HD21 LEU 70 -12.224 7.268 -23.264 497 HD22 LEU 70 HD22 LEU 70 -13.058 6.669 -21.828 498 HD23 LEU 70 HD23 LEU 70 -13.953 6.917 -23.330 499 H THR 71 HN THR 71 -16.171 3.546 -22.378 500 HA THR 71 HA THR 71 -16.850 1.257 -20.743 501 HB THR 71 HB THR 71 -18.661 1.101 -22.622 502 HG1 THR 71 HG1 THR 71 -18.837 3.176 -23.676 503 HG21 THR 71 HG21 THR 71 -19.087 1.993 -20.346 504 HG22 THR 71 HG22 THR 71 -19.937 2.933 -21.572 505 HG23 THR 71 HG23 THR 71 -18.454 3.557 -20.853 506 H ASN 72 HN ASN 72 -15.118 1.983 -23.476 507 HA ASN 72 HA ASN 72 -15.041 -0.495 -24.900 508 HB2 ASN 72 HB2 ASN 72 -12.959 1.716 -24.836 509 HB3 ASN 72 HB1 ASN 72 -13.145 0.475 -26.073 510 HD21 ASN 72 HD21 ASN 72 -13.285 2.005 -27.675 511 HD22 ASN 72 HD22 ASN 72 -14.654 3.019 -27.916 512 H GLY 73 HN GLY 73 -13.716 0.639 -21.946 513 HA2 GLY 73 HA2 GLY 73 -12.418 -0.446 -20.422 514 HA3 GLY 73 HA1 GLY 73 -12.098 -1.715 -21.623 515 H LYS 74 HN LYS 74 -11.773 1.522 -22.608 516 HA LYS 74 HA LYS 74 -8.891 1.183 -22.609 517 HB2 LYS 74 HB2 LYS 74 -10.639 2.671 -24.554 518 HB3 LYS 74 HB1 LYS 74 -8.887 2.566 -24.611 519 HG2 LYS 74 HG2 LYS 74 -10.805 0.251 -24.900 520 HG3 LYS 74 HG1 LYS 74 -9.940 1.041 -26.218 521 HD2 LYS 74 HD2 LYS 74 -7.810 0.331 -25.278 522 HD3 LYS 74 HD1 LYS 74 -8.632 -0.367 -23.889 523 HE2 LYS 74 HE2 LYS 74 -8.024 -2.092 -25.472 524 HE3 LYS 74 HE1 LYS 74 -9.778 -1.930 -25.324 525 HZ1 LYS 74 HZ1 LYS 74 -9.825 -0.751 -27.420 526 HZ2 LYS 74 HZ2 LYS 74 -9.035 -2.218 -27.614 527 HZ3 LYS 74 HZ3 LYS 74 -8.141 -0.790 -27.529 528 H GLN 75 HN GLN 75 -7.665 3.068 -22.413 529 HA GLN 75 HA GLN 75 -8.823 4.961 -20.580 530 HB2 GLN 75 HB2 GLN 75 -6.008 4.566 -21.587 531 HB3 GLN 75 HB1 GLN 75 -6.464 5.884 -20.518 532 HG2 GLN 75 HG2 GLN 75 -7.198 4.248 -18.842 533 HG3 GLN 75 HG1 GLN 75 -6.701 2.943 -19.911 534 HE21 GLN 75 HE21 GLN 75 -5.620 5.550 -17.899 535 HE22 GLN 75 HE22 GLN 75 -3.977 5.061 -17.773 536 H ALA 76 HN ALA 76 -7.871 7.280 -20.964 537 HA ALA 76 HA ALA 76 -9.074 8.119 -23.458 538 HB1 ALA 76 HB1 ALA 76 -8.401 9.599 -20.931 539 HB2 ALA 76 HB2 ALA 76 -10.009 9.109 -21.490 540 HB3 ALA 76 HB3 ALA 76 -9.087 10.334 -22.368 541 HA PRO 77 HA PRO 77 -5.380 9.540 -25.581 542 HB2 PRO 77 HB2 PRO 77 -6.916 12.091 -25.653 543 HB3 PRO 77 HB1 PRO 77 -6.116 11.217 -26.983 544 HG2 PRO 77 HG2 PRO 77 -8.723 11.146 -26.734 545 HG3 PRO 77 HG1 PRO 77 -7.800 9.697 -27.205 546 HD2 PRO 77 HD2 PRO 77 -9.123 10.287 -24.596 547 HD3 PRO 77 HD1 PRO 77 -8.811 8.749 -25.424 548 H ASP 78 HN ASP 78 -3.630 10.850 -25.276 549 HA ASP 78 HA ASP 78 -3.064 11.716 -22.649 550 HB2 ASP 78 HB2 ASP 78 -1.558 12.161 -25.226 551 HB3 ASP 78 HB1 ASP 78 -0.942 12.602 -23.641 552 H TRP 79 HN TRP 79 -4.085 13.324 -25.512 553 HA TRP 79 HA TRP 79 -3.605 15.944 -24.493 554 HB2 TRP 79 HB2 TRP 79 -4.821 16.691 -26.572 555 HB3 TRP 79 HB1 TRP 79 -3.437 15.639 -26.851 556 HD1 TRP 79 HD1 TRP 79 -3.864 13.437 -28.027 557 HE1 TRP 79 HE1 TRP 79 -5.890 12.396 -29.230 558 HE3 TRP 79 HE3 TRP 79 -7.475 16.568 -26.312 559 HZ2 TRP 79 HZ2 TRP 79 -8.666 12.860 -29.416 560 HZ3 TRP 79 HZ3 TRP 79 -9.790 16.211 -27.032 561 HH2 TRP 79 HH2 TRP 79 -10.377 14.396 -28.554 562 H LEU 80 HN LEU 80 -6.035 13.680 -24.028 563 HA LEU 80 HA LEU 80 -8.069 15.661 -23.457 564 HB2 LEU 80 HB2 LEU 80 -8.725 13.515 -24.608 565 HB3 LEU 80 HB1 LEU 80 -8.141 12.646 -23.197 566 HG LEU 80 HG LEU 80 -9.874 13.576 -21.823 567 HD11 LEU 80 HD11 LEU 80 -11.664 14.962 -22.784 568 HD12 LEU 80 HD12 LEU 80 -10.774 15.043 -24.302 569 HD13 LEU 80 HD13 LEU 80 -10.100 15.771 -22.846 570 HD21 LEU 80 HD21 LEU 80 -10.973 12.493 -24.419 571 HD22 LEU 80 HD22 LEU 80 -11.846 12.562 -22.892 572 HD23 LEU 80 HD23 LEU 80 -10.429 11.535 -23.045 573 H ALA 81 HN ALA 81 -8.006 16.569 -21.543 574 HA ALA 81 HA ALA 81 -6.418 15.276 -19.479 575 HB1 ALA 81 HB1 ALA 81 -5.672 17.487 -20.197 576 HB2 ALA 81 HB2 ALA 81 -6.180 17.497 -18.505 577 HB3 ALA 81 HB3 ALA 81 -7.238 18.159 -19.752 578 H ALA 82 HN ALA 82 -7.207 15.032 -17.451 579 HA ALA 82 HA ALA 82 -9.967 15.799 -16.930 580 HB1 ALA 82 HB1 ALA 82 -10.093 13.521 -17.826 581 HB2 ALA 82 HB2 ALA 82 -10.510 13.551 -16.112 582 HB3 ALA 82 HB3 ALA 82 -8.923 12.979 -16.621 583 H GLU 83 HN GLU 83 -10.247 16.404 -14.874 584 HA GLU 83 HA GLU 83 -8.360 15.488 -12.861 585 HB2 GLU 83 HB2 GLU 83 -8.098 17.732 -11.909 586 HB3 GLU 83 HB1 GLU 83 -7.518 17.692 -13.565 587 HG2 GLU 83 HG2 GLU 83 -9.528 18.776 -14.332 588 HG3 GLU 83 HG1 GLU 83 -10.197 18.724 -12.707 589 HA PRO 84 HA PRO 84 -12.150 14.881 -10.691 590 HB2 PRO 84 HB2 PRO 84 -11.158 14.748 -8.157 591 HB3 PRO 84 HB1 PRO 84 -10.961 13.430 -9.332 592 HG2 PRO 84 HG2 PRO 84 -9.070 15.583 -8.579 593 HG3 PRO 84 HG1 PRO 84 -8.781 13.836 -8.768 594 HD2 PRO 84 HD2 PRO 84 -8.097 15.482 -10.722 595 HD3 PRO 84 HD1 PRO 84 -8.896 13.898 -10.997 596 H TYR 85 HN TYR 85 -13.670 16.107 -9.837 597 HA TYR 85 HA TYR 85 -12.931 18.702 -8.790 598 HB2 TYR 85 HB2 TYR 85 -14.156 18.890 -10.888 599 HB3 TYR 85 HB1 TYR 85 -15.430 17.837 -10.263 600 HD1 TYR 85 HD1 TYR 85 -13.849 21.183 -9.923 601 HD2 TYR 85 HD2 TYR 85 -17.236 18.781 -8.988 602 HE1 TYR 85 HE1 TYR 85 -15.069 23.188 -9.161 603 HE2 TYR 85 HE2 TYR 85 -18.449 20.764 -8.227 604 HH TYR 85 HH TYR 85 -18.033 22.982 -7.439 Start of MODEL 15 1 H SER 7 HT1 SER 7 3.228 -11.492 -1.993 2 HA SER 7 HA SER 7 1.011 -9.950 -0.907 3 HB2 SER 7 HB2 SER 7 2.304 -10.468 1.254 4 HB3 SER 7 HB1 SER 7 1.407 -11.812 0.524 5 HG SER 7 HG SER 7 3.560 -12.336 1.178 6 H GLY 8 HN GLY 8 1.497 -7.869 -0.377 7 HA2 GLY 8 HA2 GLY 8 4.243 -6.954 -0.370 8 HA3 GLY 8 HA1 GLY 8 3.203 -6.294 -1.633 9 H ARG 9 HN ARG 9 3.425 -4.224 -0.684 10 HA ARG 9 HA ARG 9 2.349 -3.866 1.971 11 HB2 ARG 9 HB2 ARG 9 3.509 -1.905 0.023 12 HB3 ARG 9 HB1 ARG 9 2.692 -1.384 1.484 13 HG2 ARG 9 HG2 ARG 9 4.327 -2.632 2.813 14 HG3 ARG 9 HG1 ARG 9 5.146 -3.096 1.322 15 HD2 ARG 9 HD2 ARG 9 5.650 -0.796 0.813 16 HD3 ARG 9 HD1 ARG 9 4.691 -0.236 2.180 17 HE ARG 9 HE ARG 9 6.497 -1.819 3.361 18 HH11 ARG 9 HH11 ARG 9 6.929 0.773 1.004 19 HH12 ARG 9 HH12 ARG 9 8.418 1.306 1.638 20 HH21 ARG 9 HH21 ARG 9 8.551 -1.097 4.228 21 HH22 ARG 9 HH22 ARG 9 9.363 0.218 3.529 22 H GLU 10 HN GLU 10 0.391 -4.808 1.231 23 HA GLU 10 HA GLU 10 -1.347 -2.878 -0.050 24 HB2 GLU 10 HB2 GLU 10 -3.026 -4.663 -0.050 25 HB3 GLU 10 HB1 GLU 10 -1.556 -5.129 -0.897 26 HG2 GLU 10 HG2 GLU 10 -0.851 -6.418 0.994 27 HG3 GLU 10 HG1 GLU 10 -2.256 -5.847 1.897 28 H ASN 11 HN ASN 11 -2.783 -1.757 0.977 29 HA ASN 11 HA ASN 11 -3.531 -2.304 3.686 30 HB2 ASN 11 HB2 ASN 11 -1.438 -1.038 4.006 31 HB3 ASN 11 HB1 ASN 11 -2.005 0.197 2.893 32 HD21 ASN 11 HD21 ASN 11 -3.520 1.657 3.580 33 HD22 ASN 11 HD22 ASN 11 -3.986 1.856 5.226 34 H LEU 12 HN LEU 12 -5.583 -2.249 3.287 35 HA LEU 12 HA LEU 12 -6.959 -0.993 1.245 36 HB2 LEU 12 HB2 LEU 12 -7.853 -2.789 2.670 37 HB3 LEU 12 HB1 LEU 12 -8.007 -1.638 3.986 38 HG LEU 12 HG LEU 12 -9.456 -0.288 2.447 39 HD11 LEU 12 HD11 LEU 12 -10.626 -1.493 0.652 40 HD12 LEU 12 HD12 LEU 12 -9.501 -2.835 0.859 41 HD13 LEU 12 HD13 LEU 12 -8.909 -1.257 0.337 42 HD21 LEU 12 HD21 LEU 12 -11.479 -1.629 2.927 43 HD22 LEU 12 HD22 LEU 12 -10.398 -1.507 4.314 44 HD23 LEU 12 HD23 LEU 12 -10.445 -2.990 3.365 45 H TYR 13 HN TYR 13 -6.768 1.071 0.821 46 HA TYR 13 HA TYR 13 -6.908 3.053 2.877 47 HB2 TYR 13 HB2 TYR 13 -7.167 3.364 -0.115 48 HB3 TYR 13 HB1 TYR 13 -6.923 4.675 1.032 49 HD1 TYR 13 HD2 TYR 13 -4.769 4.393 2.561 50 HD2 TYR 13 HD1 TYR 13 -5.299 2.537 -1.231 51 HE1 TYR 13 HE2 TYR 13 -2.338 4.139 2.348 52 HE2 TYR 13 HE1 TYR 13 -2.869 2.279 -1.451 53 HH TYR 13 HH TYR 13 -0.847 3.353 -0.575 54 H PHE 14 HN PHE 14 -8.694 4.147 3.490 55 HA PHE 14 HA PHE 14 -11.082 2.661 3.023 56 HB2 PHE 14 HB2 PHE 14 -10.624 4.997 4.856 57 HB3 PHE 14 HB1 PHE 14 -12.031 3.938 4.850 58 HD1 PHE 14 HD2 PHE 14 -11.492 1.380 5.091 59 HD2 PHE 14 HD1 PHE 14 -8.908 4.526 6.318 60 HE1 PHE 14 HE2 PHE 14 -10.333 -0.168 6.604 61 HE2 PHE 14 HE1 PHE 14 -7.744 2.987 7.825 62 HZ PHE 14 HZ PHE 14 -8.449 0.635 7.974 63 H GLN 15 HN GLN 15 -11.959 3.050 1.135 64 HA GLN 15 HA GLN 15 -12.868 5.763 0.635 65 HB2 GLN 15 HB2 GLN 15 -12.566 3.401 -1.196 66 HB3 GLN 15 HB1 GLN 15 -13.466 4.837 -1.644 67 HG2 GLN 15 HG2 GLN 15 -11.431 6.181 -1.382 68 HG3 GLN 15 HG1 GLN 15 -10.535 4.723 -0.956 69 HE21 GLN 15 HE21 GLN 15 -9.183 5.065 -2.696 70 HE22 GLN 15 HE22 GLN 15 -9.652 4.728 -4.323 71 H GLY 16 HN GLY 16 -14.377 5.490 2.259 72 HA2 GLY 16 HA2 GLY 16 -16.403 3.497 2.113 73 HA3 GLY 16 HA1 GLY 16 -16.450 4.959 3.102 74 H HIS 17 HN HIS 17 -18.616 3.854 1.569 75 HA HIS 17 HA HIS 17 -18.865 5.469 -0.776 76 HB2 HIS 17 HB2 HIS 17 -19.987 3.282 -0.589 77 HB3 HIS 17 HB1 HIS 17 -21.018 3.916 0.684 78 HD1 HIS 17 HD1 HIS 17 -23.275 4.593 -0.178 79 HD2 HIS 17 HD2 HIS 17 -20.325 4.931 -3.089 80 HE1 HIS 17 HE1 HIS 17 -24.451 5.299 -2.303 81 H MET 18 HN MET 18 -18.511 7.420 -0.142 82 HA MET 18 HA MET 18 -20.463 8.850 1.575 83 HB2 MET 18 HB2 MET 18 -17.636 9.599 0.776 84 HB3 MET 18 HB1 MET 18 -18.685 10.506 1.848 85 HG2 MET 18 HG2 MET 18 -18.594 8.711 3.477 86 HG3 MET 18 HG1 MET 18 -17.570 7.768 2.389 87 HE1 MET 18 HE1 MET 18 -16.701 8.332 5.365 88 HE2 MET 18 HE2 MET 18 -15.008 8.774 5.140 89 HE3 MET 18 HE3 MET 18 -15.708 7.457 4.199 90 H ALA 19 HN ALA 19 -19.662 11.397 0.575 91 HA ALA 19 HA ALA 19 -20.950 11.279 -1.948 92 HB1 ALA 19 HB1 ALA 19 -19.878 13.712 -0.546 93 HB2 ALA 19 HB2 ALA 19 -21.517 13.096 -0.364 94 HB3 ALA 19 HB3 ALA 19 -20.978 13.728 -1.923 95 H ALA 20 HN ALA 20 -18.140 11.057 -0.870 96 HA ALA 20 HA ALA 20 -16.023 10.620 -1.666 97 HB1 ALA 20 HB1 ALA 20 -17.125 9.594 -3.630 98 HB2 ALA 20 HB2 ALA 20 -15.591 10.354 -4.055 99 HB3 ALA 20 HB3 ALA 20 -17.110 11.160 -4.442 100 HA PRO 21 HA PRO 21 -13.966 14.520 -1.490 101 HB2 PRO 21 HB2 PRO 21 -11.528 13.799 -2.600 102 HB3 PRO 21 HB1 PRO 21 -11.992 13.487 -0.909 103 HG2 PRO 21 HG2 PRO 21 -12.064 11.641 -3.236 104 HG3 PRO 21 HG1 PRO 21 -11.588 11.325 -1.556 105 HD2 PRO 21 HD2 PRO 21 -13.960 10.553 -2.470 106 HD3 PRO 21 HD1 PRO 21 -13.769 11.173 -0.818 107 H ALA 22 HN ALA 22 -14.399 12.870 -4.442 108 HA ALA 22 HA ALA 22 -14.355 15.375 -5.917 109 HB1 ALA 22 HB1 ALA 22 -12.278 14.185 -6.532 110 HB2 ALA 22 HB2 ALA 22 -13.423 14.187 -7.874 111 HB3 ALA 22 HB3 ALA 22 -13.221 12.735 -6.893 112 H ARG 23 HN ARG 23 -16.252 15.557 -7.006 113 HA ARG 23 HA ARG 23 -17.958 13.136 -7.006 114 HB2 ARG 23 HB2 ARG 23 -18.912 15.996 -6.892 115 HB3 ARG 23 HB1 ARG 23 -19.911 14.554 -6.817 116 HG2 ARG 23 HG2 ARG 23 -18.783 13.952 -4.695 117 HG3 ARG 23 HG1 ARG 23 -17.937 15.501 -4.764 118 HD2 ARG 23 HD2 ARG 23 -19.845 15.767 -3.345 119 HD3 ARG 23 HD1 ARG 23 -20.160 16.613 -4.863 120 HE ARG 23 HE ARG 23 -21.149 14.001 -5.015 121 HH11 ARG 23 HH11 ARG 23 -21.908 17.129 -3.527 122 HH12 ARG 23 HH12 ARG 23 -23.551 16.752 -3.266 123 HH21 ARG 23 HH21 ARG 23 -23.395 13.510 -4.663 124 HH22 ARG 23 HH22 ARG 23 -24.420 14.648 -3.916 125 H PHE 24 HN PHE 24 -16.656 15.774 -8.783 126 HA PHE 24 HA PHE 24 -17.997 14.764 -11.184 127 HB2 PHE 24 HB2 PHE 24 -17.164 17.641 -10.712 128 HB3 PHE 24 HB1 PHE 24 -18.078 16.981 -12.060 129 HD1 PHE 24 HD1 PHE 24 -18.268 17.759 -8.439 130 HD2 PHE 24 HD2 PHE 24 -20.415 16.912 -12.009 131 HE1 PHE 24 HE1 PHE 24 -20.355 18.404 -7.319 132 HE2 PHE 24 HE2 PHE 24 -22.515 17.552 -10.887 133 HZ PHE 24 HZ PHE 24 -22.478 18.297 -8.540 134 H CYS 25 HN CYS 25 -16.589 14.778 -12.959 135 HA CYS 25 HA CYS 25 -13.869 15.642 -12.353 136 HB2 CYS 25 HB2 CYS 25 -14.822 13.546 -14.328 137 HB3 CYS 25 HB1 CYS 25 -13.148 14.069 -14.114 138 H VAL 26 HN VAL 26 -13.026 17.095 -13.724 139 HA VAL 26 HA VAL 26 -14.780 18.319 -15.773 140 HB VAL 26 HB VAL 26 -12.247 19.413 -14.549 141 HG11 VAL 26 HG11 VAL 26 -13.180 21.569 -15.159 142 HG12 VAL 26 HG12 VAL 26 -14.583 20.756 -15.844 143 HG13 VAL 26 HG13 VAL 26 -12.983 20.503 -16.547 144 HG21 VAL 26 HG21 VAL 26 -13.736 18.922 -12.706 145 HG22 VAL 26 HG22 VAL 26 -15.042 19.807 -13.493 146 HG23 VAL 26 HG23 VAL 26 -13.603 20.666 -12.935 147 H TYR 27 HN TYR 27 -14.317 17.693 -17.792 148 HA TYR 27 HA TYR 27 -11.603 16.754 -18.398 149 HB2 TYR 27 HB2 TYR 27 -14.162 16.530 -19.998 150 HB3 TYR 27 HB1 TYR 27 -12.559 16.024 -20.547 151 HD1 TYR 27 HD2 TYR 27 -14.962 15.446 -17.742 152 HD2 TYR 27 HD1 TYR 27 -11.856 13.868 -20.167 153 HE1 TYR 27 HE2 TYR 27 -15.245 13.256 -16.671 154 HE2 TYR 27 HE1 TYR 27 -12.136 11.678 -19.101 155 HH TYR 27 HH TYR 27 -14.798 10.873 -17.205 156 H TYR 28 HN TYR 28 -10.306 17.582 -19.788 157 HA TYR 28 HA TYR 28 -11.077 20.071 -21.120 158 HB2 TYR 28 HB2 TYR 28 -8.584 19.511 -19.546 159 HB3 TYR 28 HB1 TYR 28 -8.711 20.851 -20.695 160 HD1 TYR 28 HD2 TYR 28 -10.235 22.716 -20.147 161 HD2 TYR 28 HD1 TYR 28 -9.452 19.621 -17.356 162 HE1 TYR 28 HE2 TYR 28 -11.040 24.160 -18.345 163 HE2 TYR 28 HE1 TYR 28 -10.257 21.066 -15.528 164 HH TYR 28 HH TYR 28 -10.520 23.518 -15.101 165 H ASP 29 HN ASP 29 -10.288 20.355 -23.072 166 HA ASP 29 HA ASP 29 -8.912 18.229 -24.501 167 HB2 ASP 29 HB2 ASP 29 -10.759 19.349 -25.641 168 HB3 ASP 29 HB1 ASP 29 -10.002 20.920 -25.348 169 H GLY 30 HN GLY 30 -6.762 18.231 -24.045 170 HA2 GLY 30 HA2 GLY 30 -4.801 19.372 -24.974 171 HA3 GLY 30 HA1 GLY 30 -5.415 20.838 -24.200 172 H HIS 31 HN HIS 31 -2.974 19.443 -23.885 173 HA HIS 31 HA HIS 31 -3.172 18.522 -21.107 174 HB2 HIS 31 HB2 HIS 31 -1.016 17.340 -21.517 175 HB3 HIS 31 HB1 HIS 31 -2.353 16.741 -22.504 176 HD1 HIS 31 HD1 HIS 31 1.107 17.358 -22.802 177 HD2 HIS 31 HD2 HIS 31 -2.155 18.220 -25.216 178 HE1 HIS 31 HE1 HIS 31 2.016 17.686 -25.144 179 H LEU 32 HN LEU 32 -2.463 21.136 -22.813 180 HA LEU 32 HA LEU 32 -0.106 21.901 -21.295 181 HB2 LEU 32 HB2 LEU 32 -0.290 22.240 -23.793 182 HB3 LEU 32 HB1 LEU 32 -1.556 23.407 -23.473 183 HG LEU 32 HG LEU 32 0.079 24.716 -22.163 184 HD11 LEU 32 HD11 LEU 32 1.703 22.953 -21.664 185 HD12 LEU 32 HD12 LEU 32 2.493 24.257 -22.553 186 HD13 LEU 32 HD13 LEU 32 2.036 22.768 -23.383 187 HD21 LEU 32 HD21 LEU 32 0.733 24.207 -25.050 188 HD22 LEU 32 HD22 LEU 32 1.243 25.622 -24.129 189 HD23 LEU 32 HD23 LEU 32 -0.471 25.335 -24.428 190 HA PRO 33 HA PRO 33 -2.928 23.504 -18.281 191 HB2 PRO 33 HB2 PRO 33 -1.103 25.290 -17.115 192 HB3 PRO 33 HB1 PRO 33 -1.386 23.611 -16.623 193 HG2 PRO 33 HG2 PRO 33 0.803 24.738 -18.211 194 HG3 PRO 33 HG1 PRO 33 0.755 23.280 -17.209 195 HD2 PRO 33 HD2 PRO 33 0.745 23.241 -19.923 196 HD3 PRO 33 HD1 PRO 33 0.039 21.955 -18.915 197 H ALA 34 HN ALA 34 -1.110 25.788 -20.273 198 HA ALA 34 HA ALA 34 -3.071 27.836 -19.621 199 HB1 ALA 34 HB1 ALA 34 -0.651 28.099 -21.385 200 HB2 ALA 34 HB2 ALA 34 -0.695 28.447 -19.654 201 HB3 ALA 34 HB3 ALA 34 -1.668 29.402 -20.770 202 H THR 35 HN THR 35 -3.058 25.382 -21.849 203 HA THR 35 HA THR 35 -4.666 27.027 -23.687 204 HB THR 35 HB THR 35 -2.679 24.936 -24.667 205 HG1 THR 35 HG1 THR 35 -2.474 27.672 -24.104 206 HG21 THR 35 HG21 THR 35 -4.525 25.490 -26.236 207 HG22 THR 35 HG22 THR 35 -2.973 26.073 -26.839 208 HG23 THR 35 HG23 THR 35 -4.113 27.201 -26.104 209 H ARG 36 HN ARG 36 -5.131 24.846 -21.538 210 HA ARG 36 HA ARG 36 -6.317 22.803 -23.153 211 HB2 ARG 36 HB2 ARG 36 -6.592 21.533 -21.207 212 HB3 ARG 36 HB1 ARG 36 -5.192 22.479 -20.873 213 HG2 ARG 36 HG2 ARG 36 -7.935 23.102 -19.762 214 HG3 ARG 36 HG1 ARG 36 -6.688 22.210 -18.919 215 HD2 ARG 36 HD2 ARG 36 -6.573 24.357 -18.023 216 HD3 ARG 36 HD1 ARG 36 -5.269 24.349 -19.208 217 HE ARG 36 HE ARG 36 -7.318 25.348 -20.622 218 HH11 ARG 36 HH11 ARG 36 -6.150 26.227 -17.410 219 HH12 ARG 36 HH12 ARG 36 -6.665 27.846 -17.528 220 HH21 ARG 36 HH21 ARG 36 -8.026 27.554 -20.792 221 HH22 ARG 36 HH22 ARG 36 -7.740 28.615 -19.498 222 H VAL 37 HN VAL 37 -8.548 22.403 -23.381 223 HA VAL 37 HA VAL 37 -10.164 24.829 -22.899 224 HB VAL 37 HB VAL 37 -10.557 22.748 -25.056 225 HG11 VAL 37 HG11 VAL 37 -12.073 24.409 -26.060 226 HG12 VAL 37 HG12 VAL 37 -11.837 25.454 -24.658 227 HG13 VAL 37 HG13 VAL 37 -12.619 23.887 -24.464 228 HG21 VAL 37 HG21 VAL 37 -9.686 24.456 -26.608 229 HG22 VAL 37 HG22 VAL 37 -8.481 23.936 -25.429 230 HG23 VAL 37 HG23 VAL 37 -9.301 25.485 -25.229 231 H LEU 38 HN LEU 38 -11.902 24.638 -21.641 232 HA LEU 38 HA LEU 38 -12.537 22.275 -20.284 233 HB2 LEU 38 HB2 LEU 38 -12.993 24.521 -19.394 234 HB3 LEU 38 HB1 LEU 38 -14.129 24.824 -20.678 235 HG LEU 38 HG LEU 38 -15.069 24.398 -18.346 236 HD11 LEU 38 HD11 LEU 38 -16.988 23.107 -19.107 237 HD12 LEU 38 HD12 LEU 38 -16.102 22.640 -20.560 238 HD13 LEU 38 HD13 LEU 38 -16.521 24.330 -20.288 239 HD21 LEU 38 HD21 LEU 38 -15.353 22.086 -17.671 240 HD22 LEU 38 HD22 LEU 38 -13.648 22.541 -17.741 241 HD23 LEU 38 HD23 LEU 38 -14.358 21.564 -19.029 242 H LEU 39 HN LEU 39 -13.767 20.585 -20.848 243 HA LEU 39 HA LEU 39 -15.387 20.837 -23.267 244 HB2 LEU 39 HB2 LEU 39 -14.265 18.387 -21.930 245 HB3 LEU 39 HB1 LEU 39 -15.289 18.366 -23.349 246 HG LEU 39 HG LEU 39 -12.544 19.614 -23.190 247 HD11 LEU 39 HD11 LEU 39 -13.494 17.095 -24.528 248 HD12 LEU 39 HD12 LEU 39 -12.465 17.192 -23.099 249 HD13 LEU 39 HD13 LEU 39 -11.874 17.777 -24.651 250 HD21 LEU 39 HD21 LEU 39 -14.435 19.270 -25.520 251 HD22 LEU 39 HD22 LEU 39 -12.770 19.826 -25.637 252 HD23 LEU 39 HD23 LEU 39 -13.959 20.797 -24.777 253 H MET 40 HN MET 40 -15.593 19.014 -20.118 254 HA MET 40 HA MET 40 -18.194 19.906 -19.579 255 HB2 MET 40 HB2 MET 40 -19.476 17.861 -19.999 256 HB3 MET 40 HB1 MET 40 -18.897 18.598 -21.496 257 HG2 MET 40 HG2 MET 40 -17.132 16.946 -21.616 258 HG3 MET 40 HG1 MET 40 -17.690 16.275 -20.083 259 HE1 MET 40 HE1 MET 40 -20.161 16.152 -23.997 260 HE2 MET 40 HE2 MET 40 -18.577 16.908 -23.862 261 HE3 MET 40 HE3 MET 40 -19.968 17.615 -23.034 262 H TYR 41 HN TYR 41 -19.243 18.736 -17.954 263 HA TYR 41 HA TYR 41 -17.287 17.807 -15.977 264 HB2 TYR 41 HB2 TYR 41 -20.050 18.998 -15.609 265 HB3 TYR 41 HB1 TYR 41 -18.894 18.594 -14.331 266 HD1 TYR 41 HD2 TYR 41 -19.712 20.951 -17.027 267 HD2 TYR 41 HD1 TYR 41 -17.016 20.033 -13.881 268 HE1 TYR 41 HE2 TYR 41 -18.767 23.206 -17.202 269 HE2 TYR 41 HE1 TYR 41 -16.054 22.299 -14.047 270 HH TYR 41 HH TYR 41 -17.580 24.750 -15.726 271 H VAL 42 HN VAL 42 -17.572 15.793 -15.145 272 HA VAL 42 HA VAL 42 -20.004 14.318 -15.937 273 HB VAL 42 HB VAL 42 -17.192 13.188 -15.778 274 HG11 VAL 42 HG11 VAL 42 -18.150 11.172 -16.801 275 HG12 VAL 42 HG12 VAL 42 -19.756 11.900 -16.712 276 HG13 VAL 42 HG13 VAL 42 -18.879 11.523 -15.232 277 HG21 VAL 42 HG21 VAL 42 -17.311 12.985 -18.223 278 HG22 VAL 42 HG22 VAL 42 -17.412 14.664 -17.693 279 HG23 VAL 42 HG23 VAL 42 -18.869 13.814 -18.205 280 H ARG 43 HN ARG 43 -20.919 13.074 -14.390 281 HA ARG 43 HA ARG 43 -20.177 13.471 -11.646 282 HB2 ARG 43 HB2 ARG 43 -22.463 12.200 -13.092 283 HB3 ARG 43 HB1 ARG 43 -22.156 11.708 -11.444 284 HG2 ARG 43 HG2 ARG 43 -23.892 13.450 -11.665 285 HG3 ARG 43 HG1 ARG 43 -22.545 13.923 -10.639 286 HD2 ARG 43 HD2 ARG 43 -23.248 15.761 -12.064 287 HD3 ARG 43 HD1 ARG 43 -21.615 15.212 -12.441 288 HE ARG 43 HE ARG 43 -23.096 13.879 -14.244 289 HH11 ARG 43 HH11 ARG 43 -23.318 17.258 -13.313 290 HH12 ARG 43 HH12 ARG 43 -23.448 17.850 -14.900 291 HH21 ARG 43 HH21 ARG 43 -23.293 14.667 -16.431 292 HH22 ARG 43 HH22 ARG 43 -23.400 16.334 -16.740 293 H ILE 44 HN ILE 44 -19.116 12.145 -10.432 294 HA ILE 44 HA ILE 44 -17.843 9.781 -11.259 295 HB ILE 44 HB ILE 44 -18.560 10.683 -8.451 296 HG12 ILE 44 HG12 ILE 44 -17.018 12.083 -9.723 297 HG13 ILE 44 HG11 ILE 44 -16.239 11.395 -8.290 298 HG21 ILE 44 HG21 ILE 44 -16.735 8.400 -9.223 299 HG22 ILE 44 HG22 ILE 44 -18.292 8.262 -8.409 300 HG23 ILE 44 HG23 ILE 44 -16.938 9.049 -7.596 301 HD11 ILE 44 HD11 ILE 44 -15.921 10.534 -11.163 302 HD12 ILE 44 HD12 ILE 44 -15.189 9.716 -9.784 303 HD13 ILE 44 HD13 ILE 44 -14.735 11.376 -10.168 304 H GLY 45 HN GLY 45 -18.620 7.987 -11.773 305 HA2 GLY 45 HA2 GLY 45 -19.796 5.969 -11.047 306 HA3 GLY 45 HA1 GLY 45 -21.108 7.026 -10.535 307 H THR 46 HN THR 46 -20.405 8.594 -13.143 308 HA THR 46 HA THR 46 -22.230 6.943 -14.751 309 HB THR 46 HB THR 46 -23.061 9.029 -15.753 310 HG1 THR 46 HG1 THR 46 -21.065 10.149 -14.128 311 HG21 THR 46 HG21 THR 46 -24.305 9.849 -13.815 312 HG22 THR 46 HG22 THR 46 -23.172 9.039 -12.738 313 HG23 THR 46 HG23 THR 46 -24.212 8.088 -13.798 314 H THR 47 HN THR 47 -22.173 7.240 -16.978 315 HA THR 47 HA THR 47 -19.479 7.490 -18.052 316 HB THR 47 HB THR 47 -20.564 6.604 -20.082 317 HG1 THR 47 HG1 THR 47 -22.651 5.873 -19.998 318 HG21 THR 47 HG21 THR 47 -20.798 4.874 -17.615 319 HG22 THR 47 HG22 THR 47 -19.368 5.077 -18.634 320 HG23 THR 47 HG23 THR 47 -20.796 4.266 -19.272 321 H ALA 48 HN ALA 48 -19.246 8.688 -19.913 322 HA ALA 48 HA ALA 48 -21.354 10.507 -20.709 323 HB1 ALA 48 HB1 ALA 48 -18.807 11.623 -19.561 324 HB2 ALA 48 HB2 ALA 48 -20.402 11.703 -18.813 325 HB3 ALA 48 HB3 ALA 48 -20.093 12.552 -20.328 326 H THR 49 HN THR 49 -21.192 11.037 -22.742 327 HA THR 49 HA THR 49 -18.911 10.094 -24.213 328 HB THR 49 HB THR 49 -21.433 11.443 -25.214 329 HG1 THR 49 HG1 THR 49 -21.157 8.629 -25.307 330 HG21 THR 49 HG21 THR 49 -19.466 9.546 -26.536 331 HG22 THR 49 HG22 THR 49 -19.576 11.278 -26.838 332 HG23 THR 49 HG23 THR 49 -20.910 10.214 -27.294 333 H ILE 50 HN ILE 50 -17.236 11.418 -24.310 334 HA ILE 50 HA ILE 50 -17.539 14.325 -24.071 335 HB ILE 50 HB ILE 50 -14.993 12.767 -24.481 336 HG12 ILE 50 HG12 ILE 50 -16.135 11.756 -22.540 337 HG13 ILE 50 HG11 ILE 50 -14.658 12.599 -22.062 338 HG21 ILE 50 HG21 ILE 50 -15.527 15.411 -23.153 339 HG22 ILE 50 HG22 ILE 50 -14.803 15.151 -24.737 340 HG23 ILE 50 HG23 ILE 50 -13.947 14.635 -23.282 341 HD11 ILE 50 HD11 ILE 50 -16.030 14.467 -21.265 342 HD12 ILE 50 HD12 ILE 50 -16.448 12.950 -20.466 343 HD13 ILE 50 HD13 ILE 50 -17.487 13.591 -21.738 344 H THR 51 HN THR 51 -16.901 15.608 -25.776 345 HA THR 51 HA THR 51 -16.212 14.234 -28.258 346 HB THR 51 HB THR 51 -18.158 16.543 -28.041 347 HG1 THR 51 HG1 THR 51 -18.386 13.811 -27.934 348 HG21 THR 51 HG21 THR 51 -18.595 16.087 -30.409 349 HG22 THR 51 HG22 THR 51 -17.417 14.777 -30.393 350 HG23 THR 51 HG23 THR 51 -16.882 16.445 -30.178 351 H ALA 52 HN ALA 52 -14.272 14.841 -28.760 352 HA ALA 52 HA ALA 52 -13.561 17.660 -28.683 353 HB1 ALA 52 HB1 ALA 52 -11.363 17.132 -27.730 354 HB2 ALA 52 HB2 ALA 52 -11.862 15.448 -27.524 355 HB3 ALA 52 HB3 ALA 52 -12.670 16.728 -26.620 356 H ARG 53 HN ARG 53 -12.465 18.267 -30.407 357 HA ARG 53 HA ARG 53 -11.767 18.335 -32.528 358 HB2 ARG 53 HB2 ARG 53 -10.356 15.722 -31.901 359 HB3 ARG 53 HB1 ARG 53 -9.962 16.852 -33.209 360 HG2 ARG 53 HG2 ARG 53 -9.593 18.565 -31.389 361 HG3 ARG 53 HG1 ARG 53 -9.626 17.200 -30.258 362 HD2 ARG 53 HD2 ARG 53 -7.705 17.663 -32.547 363 HD3 ARG 53 HD1 ARG 53 -7.336 17.783 -30.821 364 HE ARG 53 HE ARG 53 -8.248 15.198 -31.774 365 HH11 ARG 53 HH11 ARG 53 -5.480 17.225 -30.909 366 HH12 ARG 53 HH12 ARG 53 -4.341 15.966 -30.929 367 HH21 ARG 53 HH21 ARG 53 -6.708 13.449 -31.820 368 HH22 ARG 53 HH22 ARG 53 -5.065 13.732 -31.465 369 H GLY 54 HN GLY 54 -14.171 17.026 -31.887 370 HA2 GLY 54 HA2 GLY 54 -15.942 16.313 -33.239 371 HA3 GLY 54 HA1 GLY 54 -14.768 15.922 -34.502 372 H HIS 55 HN HIS 55 -13.674 14.532 -31.684 373 HA HIS 55 HA HIS 55 -14.754 11.976 -32.539 374 HB2 HIS 55 HB2 HIS 55 -12.379 12.665 -30.813 375 HB3 HIS 55 HB1 HIS 55 -12.947 11.020 -31.114 376 HD1 HIS 55 HD1 HIS 55 -11.844 9.892 -33.034 377 HD2 HIS 55 HD2 HIS 55 -11.592 14.020 -33.286 378 HE1 HIS 55 HE1 HIS 55 -10.378 10.373 -35.017 379 H GLU 56 HN GLU 56 -15.902 10.732 -31.220 380 HA GLU 56 HA GLU 56 -16.782 11.934 -28.721 381 HB2 GLU 56 HB2 GLU 56 -17.948 9.706 -30.394 382 HB3 GLU 56 HB1 GLU 56 -18.604 10.242 -28.846 383 HG2 GLU 56 HG2 GLU 56 -19.048 12.432 -29.806 384 HG3 GLU 56 HG1 GLU 56 -18.373 11.914 -31.346 385 H PHE 57 HN PHE 57 -15.706 11.221 -27.018 386 HA PHE 57 HA PHE 57 -14.648 8.481 -26.929 387 HB2 PHE 57 HB2 PHE 57 -13.944 10.876 -25.209 388 HB3 PHE 57 HB1 PHE 57 -13.136 9.306 -25.249 389 HD1 PHE 57 HD1 PHE 57 -11.742 8.706 -27.213 390 HD2 PHE 57 HD2 PHE 57 -13.429 12.584 -26.730 391 HE1 PHE 57 HE1 PHE 57 -10.163 9.605 -28.879 392 HE2 PHE 57 HE2 PHE 57 -11.864 13.479 -28.386 393 HZ PHE 57 HZ PHE 57 -10.230 11.995 -29.466 394 H GLU 58 HN GLU 58 -16.116 7.242 -25.833 395 HA GLU 58 HA GLU 58 -17.745 8.594 -23.849 396 HB2 GLU 58 HB2 GLU 58 -18.789 7.012 -25.548 397 HB3 GLU 58 HB1 GLU 58 -17.958 5.711 -24.682 398 HG2 GLU 58 HG2 GLU 58 -19.173 6.118 -22.717 399 HG3 GLU 58 HG1 GLU 58 -19.835 7.591 -23.432 400 H VAL 59 HN VAL 59 -17.018 8.793 -21.985 401 HA VAL 59 HA VAL 59 -14.966 6.944 -20.972 402 HB VAL 59 HB VAL 59 -14.208 8.742 -19.576 403 HG11 VAL 59 HG11 VAL 59 -13.571 10.494 -21.177 404 HG12 VAL 59 HG12 VAL 59 -14.715 9.817 -22.340 405 HG13 VAL 59 HG13 VAL 59 -13.330 8.868 -21.809 406 HG21 VAL 59 HG21 VAL 59 -16.543 10.389 -20.566 407 HG22 VAL 59 HG22 VAL 59 -15.248 10.977 -19.524 408 HG23 VAL 59 HG23 VAL 59 -16.349 9.726 -18.943 409 H GLU 60 HN GLU 60 -15.142 6.401 -18.779 410 HA GLU 60 HA GLU 60 -17.680 7.132 -17.514 411 HB2 GLU 60 HB2 GLU 60 -17.521 4.650 -17.936 412 HB3 GLU 60 HB1 GLU 60 -16.101 4.635 -16.878 413 HG2 GLU 60 HG2 GLU 60 -17.485 5.549 -15.043 414 HG3 GLU 60 HG1 GLU 60 -18.895 5.453 -16.086 415 H ALA 61 HN ALA 61 -17.444 8.379 -15.855 416 HA ALA 61 HA ALA 61 -14.797 8.609 -14.649 417 HB1 ALA 61 HB1 ALA 61 -17.384 10.053 -13.951 418 HB2 ALA 61 HB2 ALA 61 -16.108 10.696 -14.979 419 HB3 ALA 61 HB3 ALA 61 -15.794 10.414 -13.270 420 H LYS 62 HN LYS 62 -14.697 6.526 -13.953 421 HA LYS 62 HA LYS 62 -16.786 5.136 -12.651 422 HB2 LYS 62 HB2 LYS 62 -13.881 4.383 -12.391 423 HB3 LYS 62 HB1 LYS 62 -15.294 3.361 -12.375 424 HG2 LYS 62 HG2 LYS 62 -15.669 4.021 -14.736 425 HG3 LYS 62 HG1 LYS 62 -14.054 4.748 -14.712 426 HD2 LYS 62 HD2 LYS 62 -13.562 2.619 -15.497 427 HD3 LYS 62 HD1 LYS 62 -13.321 2.427 -13.765 428 HE2 LYS 62 HE2 LYS 62 -15.660 1.480 -15.446 429 HE3 LYS 62 HE1 LYS 62 -14.499 0.538 -14.520 430 HZ1 LYS 62 HZ1 LYS 62 -15.512 1.510 -12.467 431 HZ2 LYS 62 HZ2 LYS 62 -16.553 0.552 -13.382 432 HZ3 LYS 62 HZ3 LYS 62 -16.692 2.223 -13.476 433 H ASP 63 HN ASP 63 -13.770 6.313 -11.393 434 HA ASP 63 HA ASP 63 -14.925 6.283 -8.699 435 HB2 ASP 63 HB2 ASP 63 -12.235 5.205 -9.563 436 HB3 ASP 63 HB1 ASP 63 -12.573 5.639 -7.894 437 H GLN 64 HN GLN 64 -13.663 7.591 -7.162 438 HA GLN 64 HA GLN 64 -13.696 10.242 -8.070 439 HB2 GLN 64 HB2 GLN 64 -12.819 10.790 -5.715 440 HB3 GLN 64 HB1 GLN 64 -14.391 10.032 -5.881 441 HG2 GLN 64 HG2 GLN 64 -13.245 9.030 -4.040 442 HG3 GLN 64 HG1 GLN 64 -13.358 7.852 -5.335 443 HE21 GLN 64 HE21 GLN 64 -10.966 10.487 -5.081 444 HE22 GLN 64 HE22 GLN 64 -9.633 9.435 -4.899 445 H ASN 65 HN ASN 65 -11.171 8.186 -8.476 446 HA ASN 65 HA ASN 65 -9.034 10.078 -8.253 447 HB2 ASN 65 HB2 ASN 65 -8.502 7.709 -8.189 448 HB3 ASN 65 HB1 ASN 65 -9.233 7.469 -9.788 449 HD21 ASN 65 HD21 ASN 65 -6.523 8.772 -8.026 450 HD22 ASN 65 HD22 ASN 65 -5.449 8.888 -9.371 451 H CYS 66 HN CYS 66 -11.557 9.579 -10.464 452 HA CYS 66 HA CYS 66 -12.126 10.350 -12.451 453 HB2 CYS 66 HB2 CYS 66 -9.915 12.332 -11.911 454 HB3 CYS 66 HB1 CYS 66 -10.892 12.422 -13.380 455 H LYS 67 HN LYS 67 -10.296 8.239 -12.046 456 HA LYS 67 HA LYS 67 -8.432 7.904 -13.965 457 HB2 LYS 67 HB2 LYS 67 -9.110 6.461 -11.969 458 HB3 LYS 67 HB1 LYS 67 -10.430 5.906 -12.994 459 HG2 LYS 67 HG2 LYS 67 -8.559 4.318 -12.837 460 HG3 LYS 67 HG1 LYS 67 -8.902 4.851 -14.487 461 HD2 LYS 67 HD2 LYS 67 -7.111 6.511 -13.018 462 HD3 LYS 67 HD1 LYS 67 -6.420 4.890 -13.339 463 HE2 LYS 67 HE2 LYS 67 -6.959 5.210 -15.720 464 HE3 LYS 67 HE1 LYS 67 -7.662 6.778 -15.291 465 HZ1 LYS 67 HZ1 LYS 67 -5.344 6.887 -16.250 466 HZ2 LYS 67 HZ2 LYS 67 -4.785 6.080 -14.885 467 HZ3 LYS 67 HZ3 LYS 67 -5.495 7.591 -14.741 468 H VAL 68 HN VAL 68 -9.005 8.626 -15.967 469 HA VAL 68 HA VAL 68 -11.602 8.187 -16.991 470 HB VAL 68 HB VAL 68 -10.550 10.266 -17.543 471 HG11 VAL 68 HG11 VAL 68 -8.611 10.458 -19.023 472 HG12 VAL 68 HG12 VAL 68 -8.412 8.705 -18.970 473 HG13 VAL 68 HG13 VAL 68 -8.221 9.657 -17.501 474 HG21 VAL 68 HG21 VAL 68 -10.824 10.287 -20.000 475 HG22 VAL 68 HG22 VAL 68 -12.127 9.446 -19.159 476 HG23 VAL 68 HG23 VAL 68 -10.873 8.522 -19.974 477 H ILE 69 HN ILE 69 -12.039 6.191 -17.162 478 HA ILE 69 HA ILE 69 -10.582 4.603 -19.138 479 HB ILE 69 HB ILE 69 -12.383 3.701 -16.858 480 HG12 ILE 69 HG12 ILE 69 -9.434 3.243 -17.269 481 HG13 ILE 69 HG11 ILE 69 -10.112 4.531 -16.285 482 HG21 ILE 69 HG21 ILE 69 -12.607 2.217 -18.810 483 HG22 ILE 69 HG22 ILE 69 -11.751 1.399 -17.503 484 HG23 ILE 69 HG23 ILE 69 -10.854 2.034 -18.881 485 HD11 ILE 69 HD11 ILE 69 -11.116 2.851 -14.808 486 HD12 ILE 69 HD12 ILE 69 -9.375 2.625 -14.930 487 HD13 ILE 69 HD13 ILE 69 -10.466 1.563 -15.825 488 H LEU 70 HN LEU 70 -11.674 4.097 -20.872 489 HA LEU 70 HA LEU 70 -14.261 5.317 -21.251 490 HB2 LEU 70 HB2 LEU 70 -12.881 3.563 -23.202 491 HB3 LEU 70 HB1 LEU 70 -14.090 4.771 -23.517 492 HG LEU 70 HG LEU 70 -11.279 5.182 -22.741 493 HD11 LEU 70 HD11 LEU 70 -11.039 6.200 -25.012 494 HD12 LEU 70 HD12 LEU 70 -12.728 5.817 -25.324 495 HD13 LEU 70 HD13 LEU 70 -11.562 4.516 -25.096 496 HD21 LEU 70 HD21 LEU 70 -12.568 6.931 -21.766 497 HD22 LEU 70 HD22 LEU 70 -13.376 7.253 -23.304 498 HD23 LEU 70 HD23 LEU 70 -11.655 7.601 -23.118 499 H THR 71 HN THR 71 -15.710 4.092 -22.497 500 HA THR 71 HA THR 71 -16.741 1.907 -20.941 501 HB THR 71 HB THR 71 -18.482 1.898 -22.810 502 HG1 THR 71 HG1 THR 71 -18.275 3.456 -24.354 503 HG21 THR 71 HG21 THR 71 -18.808 3.134 -20.708 504 HG22 THR 71 HG22 THR 71 -19.449 4.045 -22.072 505 HG23 THR 71 HG23 THR 71 -17.897 4.495 -21.364 506 H ASN 72 HN ASN 72 -14.855 2.276 -23.691 507 HA ASN 72 HA ASN 72 -15.191 -0.367 -24.794 508 HB2 ASN 72 HB2 ASN 72 -13.246 1.854 -25.455 509 HB3 ASN 72 HB1 ASN 72 -13.337 0.318 -26.331 510 HD21 ASN 72 HD21 ASN 72 -13.794 3.113 -27.206 511 HD22 ASN 72 HD22 ASN 72 -15.403 3.128 -27.842 512 H GLY 73 HN GLY 73 -13.502 0.835 -22.137 513 HA2 GLY 73 HA2 GLY 73 -12.222 -0.417 -20.694 514 HA3 GLY 73 HA1 GLY 73 -11.994 -1.627 -21.971 515 H LYS 74 HN LYS 74 -11.557 1.615 -22.814 516 HA LYS 74 HA LYS 74 -8.656 1.228 -22.905 517 HB2 LYS 74 HB2 LYS 74 -10.418 2.932 -24.657 518 HB3 LYS 74 HB1 LYS 74 -8.688 2.696 -24.820 519 HG2 LYS 74 HG2 LYS 74 -10.808 0.582 -25.202 520 HG3 LYS 74 HG1 LYS 74 -9.956 1.428 -26.495 521 HD2 LYS 74 HD2 LYS 74 -7.840 0.463 -25.735 522 HD3 LYS 74 HD1 LYS 74 -8.677 -0.351 -24.413 523 HE2 LYS 74 HE2 LYS 74 -8.286 -1.911 -26.244 524 HE3 LYS 74 HE1 LYS 74 -10.006 -1.603 -26.033 525 HZ1 LYS 74 HZ1 LYS 74 -8.330 -0.252 -28.083 526 HZ2 LYS 74 HZ2 LYS 74 -10.009 -0.186 -27.966 527 HZ3 LYS 74 HZ3 LYS 74 -9.239 -1.619 -28.368 528 H GLN 75 HN GLN 75 -7.495 3.215 -22.744 529 HA GLN 75 HA GLN 75 -8.850 5.024 -20.903 530 HB2 GLN 75 HB2 GLN 75 -5.900 4.635 -21.403 531 HB3 GLN 75 HB1 GLN 75 -6.550 5.911 -20.387 532 HG2 GLN 75 HG2 GLN 75 -7.577 4.177 -18.946 533 HG3 GLN 75 HG1 GLN 75 -6.790 2.945 -19.933 534 HE21 GLN 75 HE21 GLN 75 -4.585 2.687 -19.797 535 HE22 GLN 75 HE22 GLN 75 -3.646 3.411 -18.533 536 H ALA 76 HN ALA 76 -8.089 7.313 -21.106 537 HA ALA 76 HA ALA 76 -8.898 8.178 -23.692 538 HB1 ALA 76 HB1 ALA 76 -8.830 10.406 -22.662 539 HB2 ALA 76 HB2 ALA 76 -8.152 9.687 -21.202 540 HB3 ALA 76 HB3 ALA 76 -9.775 9.246 -21.731 541 HA PRO 77 HA PRO 77 -4.985 9.454 -25.612 542 HB2 PRO 77 HB2 PRO 77 -6.393 12.055 -25.812 543 HB3 PRO 77 HB1 PRO 77 -5.608 11.095 -27.090 544 HG2 PRO 77 HG2 PRO 77 -8.232 11.230 -26.935 545 HG3 PRO 77 HG1 PRO 77 -7.391 9.723 -27.379 546 HD2 PRO 77 HD2 PRO 77 -8.755 10.397 -24.816 547 HD3 PRO 77 HD1 PRO 77 -8.531 8.839 -25.642 548 H ASP 78 HN ASP 78 -3.251 10.791 -25.188 549 HA ASP 78 HA ASP 78 -2.785 11.490 -22.513 550 HB2 ASP 78 HB2 ASP 78 -0.966 10.878 -23.987 551 HB3 ASP 78 HB1 ASP 78 -1.301 12.252 -25.027 552 H TRP 79 HN TRP 79 -3.983 13.314 -25.177 553 HA TRP 79 HA TRP 79 -3.601 15.870 -23.902 554 HB2 TRP 79 HB2 TRP 79 -4.653 16.772 -25.986 555 HB3 TRP 79 HB1 TRP 79 -3.257 15.733 -26.276 556 HD1 TRP 79 HD1 TRP 79 -3.625 13.645 -27.660 557 HE1 TRP 79 HE1 TRP 79 -5.609 12.714 -29.053 558 HE3 TRP 79 HE3 TRP 79 -7.323 16.644 -25.879 559 HZ2 TRP 79 HZ2 TRP 79 -8.353 13.209 -29.333 560 HZ3 TRP 79 HZ3 TRP 79 -9.588 16.360 -26.752 561 HH2 TRP 79 HH2 TRP 79 -10.095 14.674 -28.441 562 H LEU 80 HN LEU 80 -5.960 13.476 -23.653 563 HA LEU 80 HA LEU 80 -8.053 15.438 -23.148 564 HB2 LEU 80 HB2 LEU 80 -8.655 13.524 -24.598 565 HB3 LEU 80 HB1 LEU 80 -8.185 12.416 -23.311 566 HG LEU 80 HG LEU 80 -10.021 13.227 -21.927 567 HD11 LEU 80 HD11 LEU 80 -11.724 14.723 -22.867 568 HD12 LEU 80 HD12 LEU 80 -10.716 14.958 -24.298 569 HD13 LEU 80 HD13 LEU 80 -10.158 15.518 -22.723 570 HD21 LEU 80 HD21 LEU 80 -10.453 11.329 -23.389 571 HD22 LEU 80 HD22 LEU 80 -10.888 12.422 -24.701 572 HD23 LEU 80 HD23 LEU 80 -11.892 12.339 -23.256 573 H ALA 81 HN ALA 81 -8.147 16.136 -21.133 574 HA ALA 81 HA ALA 81 -6.915 14.415 -19.097 575 HB1 ALA 81 HB1 ALA 81 -6.940 17.426 -19.204 576 HB2 ALA 81 HB2 ALA 81 -5.563 16.394 -19.583 577 HB3 ALA 81 HB3 ALA 81 -6.208 16.437 -17.942 578 H ALA 82 HN ALA 82 -7.834 14.327 -17.105 579 HA ALA 82 HA ALA 82 -10.476 15.600 -16.827 580 HB1 ALA 82 HB1 ALA 82 -10.754 13.201 -17.236 581 HB2 ALA 82 HB2 ALA 82 -11.223 13.616 -15.587 582 HB3 ALA 82 HB3 ALA 82 -9.670 12.840 -15.891 583 H GLU 83 HN GLU 83 -10.621 16.799 -15.091 584 HA GLU 83 HA GLU 83 -8.530 16.636 -13.080 585 HB2 GLU 83 HB2 GLU 83 -10.327 18.905 -13.897 586 HB3 GLU 83 HB1 GLU 83 -9.147 18.979 -12.617 587 HG2 GLU 83 HG2 GLU 83 -8.372 18.365 -15.452 588 HG3 GLU 83 HG1 GLU 83 -8.472 20.011 -14.826 589 HA PRO 84 HA PRO 84 -11.735 15.024 -10.335 590 HB2 PRO 84 HB2 PRO 84 -9.623 16.113 -8.545 591 HB3 PRO 84 HB1 PRO 84 -10.447 14.520 -8.427 592 HG2 PRO 84 HG2 PRO 84 -8.012 14.708 -9.275 593 HG3 PRO 84 HG1 PRO 84 -9.163 13.681 -10.165 594 HD2 PRO 84 HD2 PRO 84 -8.110 16.386 -10.964 595 HD3 PRO 84 HD1 PRO 84 -8.538 14.942 -11.903 596 H TYR 85 HN TYR 85 -13.505 16.201 -9.765 597 HA TYR 85 HA TYR 85 -12.917 18.662 -8.501 598 HB2 TYR 85 HB2 TYR 85 -13.946 19.193 -10.630 599 HB3 TYR 85 HB1 TYR 85 -15.324 18.145 -10.261 600 HD1 TYR 85 HD1 TYR 85 -13.505 21.023 -8.674 601 HD2 TYR 85 HD2 TYR 85 -17.267 19.274 -9.628 602 HE1 TYR 85 HE1 TYR 85 -14.659 22.950 -7.670 603 HE2 TYR 85 HE2 TYR 85 -18.418 21.182 -8.630 604 HH TYR 85 HH TYR 85 -18.063 22.919 -7.088 Start of MODEL 16 1 H SER 7 HT1 SER 7 -8.388 22.837 1.945 2 HA SER 7 HA SER 7 -7.135 24.047 3.535 3 HB2 SER 7 HB2 SER 7 -8.270 21.480 4.630 4 HB3 SER 7 HB1 SER 7 -8.231 23.070 5.409 5 HG SER 7 HG SER 7 -9.965 23.590 4.383 6 H GLY 8 HN GLY 8 -5.465 24.092 5.046 7 HA2 GLY 8 HA2 GLY 8 -3.428 22.052 4.605 8 HA3 GLY 8 HA1 GLY 8 -3.183 23.603 5.396 9 H ARG 9 HN ARG 9 -5.642 23.078 7.025 10 HA ARG 9 HA ARG 9 -4.287 21.629 9.102 11 HB2 ARG 9 HB2 ARG 9 -6.963 23.039 9.111 12 HB3 ARG 9 HB1 ARG 9 -6.236 22.267 10.513 13 HG2 ARG 9 HG2 ARG 9 -4.386 23.818 10.447 14 HG3 ARG 9 HG1 ARG 9 -5.038 24.569 8.990 15 HD2 ARG 9 HD2 ARG 9 -7.037 25.219 10.237 16 HD3 ARG 9 HD1 ARG 9 -6.366 24.486 11.695 17 HE ARG 9 HE ARG 9 -4.464 26.236 10.856 18 HH11 ARG 9 HH11 ARG 9 -7.892 26.557 11.704 19 HH12 ARG 9 HH12 ARG 9 -7.726 28.168 12.246 20 HH21 ARG 9 HH21 ARG 9 -4.270 28.446 11.626 21 HH22 ARG 9 HH22 ARG 9 -5.651 29.240 12.213 22 H GLU 10 HN GLU 10 -4.245 19.802 8.066 23 HA GLU 10 HA GLU 10 -6.621 18.294 7.501 24 HB2 GLU 10 HB2 GLU 10 -5.023 16.597 6.717 25 HB3 GLU 10 HB1 GLU 10 -4.797 18.161 5.942 26 HG2 GLU 10 HG2 GLU 10 -2.953 18.613 7.509 27 HG3 GLU 10 HG1 GLU 10 -3.231 17.001 8.178 28 H ASN 11 HN ASN 11 -6.392 15.879 8.179 29 HA ASN 11 HA ASN 11 -5.403 15.119 10.609 30 HB2 ASN 11 HB2 ASN 11 -7.317 16.756 11.335 31 HB3 ASN 11 HB1 ASN 11 -8.414 15.635 10.543 32 HD21 ASN 11 HD21 ASN 11 -8.336 16.421 13.310 33 HD22 ASN 11 HD22 ASN 11 -8.091 15.006 14.252 34 H LEU 12 HN LEU 12 -5.717 12.983 10.508 35 HA LEU 12 HA LEU 12 -6.352 11.886 7.999 36 HB2 LEU 12 HB2 LEU 12 -5.786 10.510 10.602 37 HB3 LEU 12 HB1 LEU 12 -6.258 9.600 9.184 38 HG LEU 12 HG LEU 12 -4.284 10.572 7.998 39 HD11 LEU 12 HD11 LEU 12 -3.863 12.528 9.353 40 HD12 LEU 12 HD12 LEU 12 -2.440 11.487 9.320 41 HD13 LEU 12 HD13 LEU 12 -3.478 11.511 10.742 42 HD21 LEU 12 HD21 LEU 12 -2.655 9.081 9.062 43 HD22 LEU 12 HD22 LEU 12 -4.234 8.323 8.872 44 HD23 LEU 12 HD23 LEU 12 -3.726 8.915 10.454 45 H TYR 13 HN TYR 13 -8.257 12.451 7.419 46 HA TYR 13 HA TYR 13 -10.633 11.461 8.770 47 HB2 TYR 13 HB2 TYR 13 -10.651 13.748 7.805 48 HB3 TYR 13 HB1 TYR 13 -10.293 13.077 6.221 49 HD1 TYR 13 HD2 TYR 13 -12.839 13.317 8.862 50 HD2 TYR 13 HD1 TYR 13 -12.043 12.172 4.853 51 HE1 TYR 13 HE2 TYR 13 -15.244 13.103 8.452 52 HE2 TYR 13 HE1 TYR 13 -14.445 11.961 4.422 53 HH TYR 13 HH TYR 13 -16.760 13.171 6.570 54 H PHE 14 HN PHE 14 -11.703 9.677 8.041 55 HA PHE 14 HA PHE 14 -10.354 8.325 5.857 56 HB2 PHE 14 HB2 PHE 14 -11.994 7.142 8.095 57 HB3 PHE 14 HB1 PHE 14 -11.254 6.218 6.780 58 HD1 PHE 14 HD2 PHE 14 -8.718 6.490 6.462 59 HD2 PHE 14 HD1 PHE 14 -10.786 7.575 10.010 60 HE1 PHE 14 HE2 PHE 14 -6.597 6.446 7.704 61 HE2 PHE 14 HE1 PHE 14 -8.677 7.539 11.257 62 HZ PHE 14 HZ PHE 14 -6.574 6.973 10.102 63 H GLN 15 HN GLN 15 -11.456 7.226 4.314 64 HA GLN 15 HA GLN 15 -13.838 8.610 3.506 65 HB2 GLN 15 HB2 GLN 15 -11.919 8.576 1.981 66 HB3 GLN 15 HB1 GLN 15 -11.911 6.824 2.030 67 HG2 GLN 15 HG2 GLN 15 -14.128 6.806 0.968 68 HG3 GLN 15 HG1 GLN 15 -14.080 8.567 0.883 69 HE21 GLN 15 HE21 GLN 15 -14.172 6.546 -1.262 70 HE22 GLN 15 HE22 GLN 15 -12.787 6.869 -2.228 71 H GLY 16 HN GLY 16 -15.216 7.666 4.600 72 HA2 GLY 16 HA2 GLY 16 -15.644 4.926 5.098 73 HA3 GLY 16 HA1 GLY 16 -16.879 6.157 5.220 74 H HIS 17 HN HIS 17 -18.550 5.192 4.285 75 HA HIS 17 HA HIS 17 -18.112 3.655 1.878 76 HB2 HIS 17 HB2 HIS 17 -19.511 2.764 3.732 77 HB3 HIS 17 HB1 HIS 17 -20.685 4.043 3.426 78 HD1 HIS 17 HD1 HIS 17 -22.584 3.268 1.945 79 HD2 HIS 17 HD2 HIS 17 -19.074 1.151 1.257 80 HE1 HIS 17 HE1 HIS 17 -23.160 1.495 0.280 81 H MET 18 HN MET 18 -17.759 5.017 0.342 82 HA MET 18 HA MET 18 -19.914 6.815 -0.510 83 HB2 MET 18 HB2 MET 18 -16.981 7.504 -0.328 84 HB3 MET 18 HB1 MET 18 -18.117 8.417 -1.287 85 HG2 MET 18 HG2 MET 18 -19.340 8.981 0.771 86 HG3 MET 18 HG1 MET 18 -18.131 8.095 1.704 87 HE1 MET 18 HE1 MET 18 -18.894 11.176 2.191 88 HE2 MET 18 HE2 MET 18 -17.288 11.849 2.483 89 HE3 MET 18 HE3 MET 18 -17.725 10.277 3.158 90 H ALA 19 HN ALA 19 -19.391 7.514 -2.810 91 HA ALA 19 HA ALA 19 -17.897 5.466 -4.185 92 HB1 ALA 19 HB1 ALA 19 -20.216 7.128 -5.214 93 HB2 ALA 19 HB2 ALA 19 -20.274 5.413 -4.821 94 HB3 ALA 19 HB3 ALA 19 -19.296 5.975 -6.180 95 H ALA 20 HN ALA 20 -16.167 6.821 -3.442 96 HA ALA 20 HA ALA 20 -14.457 8.210 -3.734 97 HB1 ALA 20 HB1 ALA 20 -14.661 7.660 -6.154 98 HB2 ALA 20 HB2 ALA 20 -14.029 9.278 -5.870 99 HB3 ALA 20 HB3 ALA 20 -15.713 9.067 -6.348 100 HA PRO 21 HA PRO 21 -15.873 11.972 -1.817 101 HB2 PRO 21 HB2 PRO 21 -13.515 13.383 -1.864 102 HB3 PRO 21 HB1 PRO 21 -13.850 12.079 -0.696 103 HG2 PRO 21 HG2 PRO 21 -12.271 11.973 -3.212 104 HG3 PRO 21 HG1 PRO 21 -11.938 11.233 -1.632 105 HD2 PRO 21 HD2 PRO 21 -12.944 9.798 -3.667 106 HD3 PRO 21 HD1 PRO 21 -13.398 9.487 -1.978 107 H ALA 22 HN ALA 22 -14.514 11.903 -4.955 108 HA ALA 22 HA ALA 22 -15.083 14.663 -5.606 109 HB1 ALA 22 HB1 ALA 22 -14.435 14.012 -7.895 110 HB2 ALA 22 HB2 ALA 22 -14.353 12.327 -7.390 111 HB3 ALA 22 HB3 ALA 22 -13.215 13.503 -6.726 112 H ARG 23 HN ARG 23 -16.771 15.257 -7.148 113 HA ARG 23 HA ARG 23 -18.915 13.245 -7.082 114 HB2 ARG 23 HB2 ARG 23 -19.292 15.448 -5.769 115 HB3 ARG 23 HB1 ARG 23 -19.485 16.194 -7.353 116 HG2 ARG 23 HG2 ARG 23 -21.666 15.704 -6.650 117 HG3 ARG 23 HG1 ARG 23 -21.265 14.417 -7.786 118 HD2 ARG 23 HD2 ARG 23 -21.361 14.266 -4.761 119 HD3 ARG 23 HD1 ARG 23 -22.340 13.375 -5.921 120 HE ARG 23 HE ARG 23 -19.465 12.937 -5.446 121 HH11 ARG 23 HH11 ARG 23 -22.666 11.546 -6.230 122 HH12 ARG 23 HH12 ARG 23 -22.014 10.006 -6.493 123 HH21 ARG 23 HH21 ARG 23 -18.658 10.792 -5.806 124 HH22 ARG 23 HH22 ARG 23 -19.738 9.559 -6.234 125 H PHE 24 HN PHE 24 -17.162 15.548 -9.000 126 HA PHE 24 HA PHE 24 -18.267 14.260 -11.367 127 HB2 PHE 24 HB2 PHE 24 -17.949 17.268 -11.028 128 HB3 PHE 24 HB1 PHE 24 -18.270 16.444 -12.551 129 HD1 PHE 24 HD2 PHE 24 -19.702 17.430 -9.296 130 HD2 PHE 24 HD1 PHE 24 -20.467 15.703 -13.108 131 HE1 PHE 24 HE2 PHE 24 -22.115 17.663 -8.911 132 HE2 PHE 24 HE1 PHE 24 -22.886 15.939 -12.727 133 HZ PHE 24 HZ PHE 24 -23.714 16.919 -10.630 134 H CYS 25 HN CYS 25 -16.851 14.619 -13.184 135 HA CYS 25 HA CYS 25 -14.145 15.414 -12.435 136 HB2 CYS 25 HB2 CYS 25 -15.094 13.375 -14.456 137 HB3 CYS 25 HB1 CYS 25 -13.420 13.923 -14.294 138 H VAL 26 HN VAL 26 -13.236 16.920 -13.705 139 HA VAL 26 HA VAL 26 -14.925 18.215 -15.763 140 HB VAL 26 HB VAL 26 -12.356 19.287 -14.632 141 HG11 VAL 26 HG11 VAL 26 -13.346 21.447 -15.137 142 HG12 VAL 26 HG12 VAL 26 -14.797 20.631 -15.721 143 HG13 VAL 26 HG13 VAL 26 -13.262 20.401 -16.553 144 HG21 VAL 26 HG21 VAL 26 -13.668 18.765 -12.677 145 HG22 VAL 26 HG22 VAL 26 -15.063 19.615 -13.346 146 HG23 VAL 26 HG23 VAL 26 -13.603 20.512 -12.906 147 H TYR 27 HN TYR 27 -14.409 17.845 -17.823 148 HA TYR 27 HA TYR 27 -11.749 16.743 -18.404 149 HB2 TYR 27 HB2 TYR 27 -14.283 16.667 -20.053 150 HB3 TYR 27 HB1 TYR 27 -12.706 16.040 -20.549 151 HD1 TYR 27 HD1 TYR 27 -15.435 15.615 -18.092 152 HD2 TYR 27 HD2 TYR 27 -11.951 13.935 -19.832 153 HE1 TYR 27 HE1 TYR 27 -15.915 13.488 -16.986 154 HE2 TYR 27 HE2 TYR 27 -12.432 11.796 -18.734 155 HH TYR 27 HH TYR 27 -15.389 11.075 -17.338 156 H TYR 28 HN TYR 28 -10.436 17.551 -19.829 157 HA TYR 28 HA TYR 28 -11.146 20.082 -21.127 158 HB2 TYR 28 HB2 TYR 28 -8.611 19.502 -19.606 159 HB3 TYR 28 HB1 TYR 28 -8.844 20.898 -20.661 160 HD1 TYR 28 HD2 TYR 28 -9.629 19.334 -17.450 161 HD2 TYR 28 HD1 TYR 28 -10.192 22.751 -19.905 162 HE1 TYR 28 HE2 TYR 28 -10.448 20.589 -15.506 163 HE2 TYR 28 HE1 TYR 28 -11.005 24.018 -17.971 164 HH TYR 28 HH TYR 28 -10.665 22.840 -14.780 165 H ASP 29 HN ASP 29 -10.130 20.468 -22.996 166 HA ASP 29 HA ASP 29 -8.935 18.252 -24.487 167 HB2 ASP 29 HB2 ASP 29 -10.687 19.638 -25.565 168 HB3 ASP 29 HB1 ASP 29 -9.695 21.071 -25.254 169 H GLY 30 HN GLY 30 -6.838 18.067 -23.743 170 HA2 GLY 30 HA2 GLY 30 -4.807 19.252 -24.773 171 HA3 GLY 30 HA1 GLY 30 -5.342 20.557 -23.709 172 H HIS 31 HN HIS 31 -2.912 19.155 -23.830 173 HA HIS 31 HA HIS 31 -2.822 17.765 -21.248 174 HB2 HIS 31 HB2 HIS 31 -0.641 16.851 -21.990 175 HB3 HIS 31 HB1 HIS 31 -1.940 16.427 -23.110 176 HD1 HIS 31 HD1 HIS 31 1.484 17.350 -23.247 177 HD2 HIS 31 HD2 HIS 31 -1.889 18.590 -25.340 178 HE1 HIS 31 HE1 HIS 31 2.302 18.256 -25.432 179 H LEU 32 HN LEU 32 -2.520 20.730 -22.477 180 HA LEU 32 HA LEU 32 -0.290 21.472 -20.756 181 HB2 LEU 32 HB2 LEU 32 0.004 21.883 -23.203 182 HB3 LEU 32 HB1 LEU 32 -1.416 22.904 -23.165 183 HG LEU 32 HG LEU 32 -0.224 24.404 -21.585 184 HD11 LEU 32 HD11 LEU 32 2.229 24.188 -21.441 185 HD12 LEU 32 HD12 LEU 32 2.107 22.626 -22.266 186 HD13 LEU 32 HD13 LEU 32 1.377 22.846 -20.678 187 HD21 LEU 32 HD21 LEU 32 -0.331 24.924 -23.947 188 HD22 LEU 32 HD22 LEU 32 1.082 23.909 -24.248 189 HD23 LEU 32 HD23 LEU 32 1.243 25.384 -23.292 190 HA PRO 33 HA PRO 33 -3.806 22.756 -18.209 191 HB2 PRO 33 HB2 PRO 33 -1.532 24.220 -16.951 192 HB3 PRO 33 HB1 PRO 33 -2.784 23.217 -16.186 193 HG2 PRO 33 HG2 PRO 33 -0.393 22.219 -16.469 194 HG3 PRO 33 HG1 PRO 33 -1.845 21.256 -16.832 195 HD2 PRO 33 HD2 PRO 33 0.065 22.490 -18.766 196 HD3 PRO 33 HD1 PRO 33 -0.808 20.944 -18.834 197 H ALA 34 HN ALA 34 -1.358 24.963 -19.283 198 HA ALA 34 HA ALA 34 -2.829 27.329 -18.755 199 HB1 ALA 34 HB1 ALA 34 -0.411 27.305 -18.843 200 HB2 ALA 34 HB2 ALA 34 -1.093 28.511 -19.930 201 HB3 ALA 34 HB3 ALA 34 -0.477 26.992 -20.574 202 H THR 35 HN THR 35 -3.163 25.169 -21.473 203 HA THR 35 HA THR 35 -4.738 27.320 -22.684 204 HB THR 35 HB THR 35 -2.439 27.056 -23.782 205 HG1 THR 35 HG1 THR 35 -4.144 26.706 -25.901 206 HG21 THR 35 HG21 THR 35 -3.769 24.622 -25.002 207 HG22 THR 35 HG22 THR 35 -2.415 24.591 -23.885 208 HG23 THR 35 HG23 THR 35 -2.214 25.302 -25.491 209 H ARG 36 HN ARG 36 -5.042 24.503 -21.303 210 HA ARG 36 HA ARG 36 -6.346 22.965 -23.301 211 HB2 ARG 36 HB2 ARG 36 -6.821 21.372 -21.494 212 HB3 ARG 36 HB1 ARG 36 -5.183 21.936 -21.447 213 HG2 ARG 36 HG2 ARG 36 -5.703 23.488 -19.645 214 HG3 ARG 36 HG1 ARG 36 -7.374 22.923 -19.645 215 HD2 ARG 36 HD2 ARG 36 -6.604 20.663 -19.121 216 HD3 ARG 36 HD1 ARG 36 -4.938 21.244 -19.103 217 HE ARG 36 HE ARG 36 -6.311 22.838 -17.361 218 HH11 ARG 36 HH11 ARG 36 -5.385 19.410 -17.562 219 HH12 ARG 36 HH12 ARG 36 -5.651 19.092 -15.910 220 HH21 ARG 36 HH21 ARG 36 -6.614 22.394 -15.053 221 HH22 ARG 36 HH22 ARG 36 -6.334 20.820 -14.452 222 H VAL 37 HN VAL 37 -8.435 22.714 -23.761 223 HA VAL 37 HA VAL 37 -10.179 24.953 -23.034 224 HB VAL 37 HB VAL 37 -10.626 22.740 -25.063 225 HG11 VAL 37 HG11 VAL 37 -11.966 25.424 -24.823 226 HG12 VAL 37 HG12 VAL 37 -12.685 23.861 -24.431 227 HG13 VAL 37 HG13 VAL 37 -12.248 24.238 -26.098 228 HG21 VAL 37 HG21 VAL 37 -9.891 24.329 -26.775 229 HG22 VAL 37 HG22 VAL 37 -8.602 23.974 -25.624 230 HG23 VAL 37 HG23 VAL 37 -9.487 25.495 -25.519 231 H LEU 38 HN LEU 38 -12.091 24.728 -21.963 232 HA LEU 38 HA LEU 38 -12.467 22.401 -20.349 233 HB2 LEU 38 HB2 LEU 38 -12.963 24.666 -19.515 234 HB3 LEU 38 HB1 LEU 38 -14.138 24.901 -20.774 235 HG LEU 38 HG LEU 38 -15.033 24.564 -18.433 236 HD11 LEU 38 HD11 LEU 38 -16.917 23.151 -19.078 237 HD12 LEU 38 HD12 LEU 38 -16.035 22.644 -20.519 238 HD13 LEU 38 HD13 LEU 38 -16.516 24.330 -20.327 239 HD21 LEU 38 HD21 LEU 38 -15.207 22.280 -17.597 240 HD22 LEU 38 HD22 LEU 38 -13.528 22.808 -17.722 241 HD23 LEU 38 HD23 LEU 38 -14.203 21.721 -18.935 242 H LEU 39 HN LEU 39 -13.774 20.670 -20.781 243 HA LEU 39 HA LEU 39 -15.327 20.818 -23.256 244 HB2 LEU 39 HB2 LEU 39 -14.197 18.449 -21.802 245 HB3 LEU 39 HB1 LEU 39 -15.229 18.331 -23.210 246 HG LEU 39 HG LEU 39 -12.515 19.652 -23.148 247 HD11 LEU 39 HD11 LEU 39 -13.395 17.012 -24.288 248 HD12 LEU 39 HD12 LEU 39 -12.382 17.247 -22.866 249 HD13 LEU 39 HD13 LEU 39 -11.794 17.734 -24.455 250 HD21 LEU 39 HD21 LEU 39 -13.974 20.662 -24.817 251 HD22 LEU 39 HD22 LEU 39 -14.404 19.069 -25.431 252 HD23 LEU 39 HD23 LEU 39 -12.757 19.661 -25.608 253 H MET 40 HN MET 40 -15.616 19.075 -20.080 254 HA MET 40 HA MET 40 -18.221 19.970 -19.532 255 HB2 MET 40 HB2 MET 40 -19.538 17.971 -19.987 256 HB3 MET 40 HB1 MET 40 -18.904 18.651 -21.493 257 HG2 MET 40 HG2 MET 40 -17.277 16.930 -21.647 258 HG3 MET 40 HG1 MET 40 -17.662 16.372 -20.018 259 HE1 MET 40 HE1 MET 40 -20.593 15.979 -23.579 260 HE2 MET 40 HE2 MET 40 -19.010 16.749 -23.708 261 HE3 MET 40 HE3 MET 40 -20.282 17.502 -22.749 262 H TYR 41 HN TYR 41 -19.266 18.746 -17.928 263 HA TYR 41 HA TYR 41 -17.348 17.585 -16.029 264 HB2 TYR 41 HB2 TYR 41 -20.061 18.870 -15.590 265 HB3 TYR 41 HB1 TYR 41 -18.990 18.255 -14.331 266 HD1 TYR 41 HD1 TYR 41 -19.413 20.897 -16.897 267 HD2 TYR 41 HD2 TYR 41 -17.243 19.630 -13.468 268 HE1 TYR 41 HE1 TYR 41 -18.419 23.136 -16.712 269 HE2 TYR 41 HE2 TYR 41 -16.232 21.871 -13.281 270 HH TYR 41 HH TYR 41 -17.425 24.531 -14.969 271 H VAL 42 HN VAL 42 -17.693 15.476 -15.481 272 HA VAL 42 HA VAL 42 -20.312 14.243 -16.119 273 HB VAL 42 HB VAL 42 -17.607 12.884 -16.374 274 HG11 VAL 42 HG11 VAL 42 -18.818 11.020 -17.375 275 HG12 VAL 42 HG12 VAL 42 -20.341 11.852 -17.088 276 HG13 VAL 42 HG13 VAL 42 -19.352 11.332 -15.721 277 HG21 VAL 42 HG21 VAL 42 -19.492 13.790 -18.547 278 HG22 VAL 42 HG22 VAL 42 -18.019 12.848 -18.790 279 HG23 VAL 42 HG23 VAL 42 -17.921 14.496 -18.171 280 H ARG 43 HN ARG 43 -21.192 13.056 -14.479 281 HA ARG 43 HA ARG 43 -20.016 13.331 -11.940 282 HB2 ARG 43 HB2 ARG 43 -22.376 13.545 -12.151 283 HB3 ARG 43 HB1 ARG 43 -22.507 11.944 -12.869 284 HG2 ARG 43 HG2 ARG 43 -21.972 10.883 -10.821 285 HG3 ARG 43 HG1 ARG 43 -21.483 12.418 -10.101 286 HD2 ARG 43 HD2 ARG 43 -23.673 11.765 -9.290 287 HD3 ARG 43 HD1 ARG 43 -23.644 13.223 -10.307 288 HE ARG 43 HE ARG 43 -24.365 11.607 -12.153 289 HH11 ARG 43 HH11 ARG 43 -25.432 11.258 -8.803 290 HH12 ARG 43 HH12 ARG 43 -26.903 10.491 -9.221 291 HH21 ARG 43 HH21 ARG 43 -26.376 10.641 -12.701 292 HH22 ARG 43 HH22 ARG 43 -27.450 10.143 -11.469 293 H ILE 44 HN ILE 44 -19.313 11.932 -10.623 294 HA ILE 44 HA ILE 44 -17.727 9.734 -11.429 295 HB ILE 44 HB ILE 44 -18.851 10.362 -8.687 296 HG12 ILE 44 HG12 ILE 44 -17.345 12.021 -9.761 297 HG13 ILE 44 HG11 ILE 44 -16.763 11.431 -8.202 298 HG21 ILE 44 HG21 ILE 44 -16.639 8.425 -9.389 299 HG22 ILE 44 HG22 ILE 44 -18.251 7.997 -8.821 300 HG23 ILE 44 HG23 ILE 44 -17.150 8.868 -7.758 301 HD11 ILE 44 HD11 ILE 44 -15.789 10.619 -10.946 302 HD12 ILE 44 HD12 ILE 44 -15.200 9.967 -9.411 303 HD13 ILE 44 HD13 ILE 44 -14.955 11.663 -9.793 304 H GLY 45 HN GLY 45 -18.276 7.810 -11.983 305 HA2 GLY 45 HA2 GLY 45 -19.281 5.711 -11.658 306 HA3 GLY 45 HA1 GLY 45 -20.524 6.489 -10.690 307 H THR 46 HN THR 46 -20.236 8.352 -13.432 308 HA THR 46 HA THR 46 -22.191 6.665 -14.844 309 HB THR 46 HB THR 46 -23.308 8.742 -15.645 310 HG1 THR 46 HG1 THR 46 -21.296 9.919 -14.112 311 HG21 THR 46 HG21 THR 46 -24.496 9.272 -13.550 312 HG22 THR 46 HG22 THR 46 -23.226 8.461 -12.635 313 HG23 THR 46 HG23 THR 46 -24.251 7.537 -13.732 314 H THR 47 HN THR 47 -22.315 6.936 -17.067 315 HA THR 47 HA THR 47 -19.715 7.541 -18.230 316 HB THR 47 HB THR 47 -20.562 6.437 -20.200 317 HG1 THR 47 HG1 THR 47 -22.903 6.830 -19.189 318 HG21 THR 47 HG21 THR 47 -20.626 4.113 -19.296 319 HG22 THR 47 HG22 THR 47 -20.807 4.791 -17.675 320 HG23 THR 47 HG23 THR 47 -19.337 5.098 -18.604 321 H ALA 48 HN ALA 48 -19.595 8.729 -20.054 322 HA ALA 48 HA ALA 48 -21.878 10.127 -21.151 323 HB1 ALA 48 HB1 ALA 48 -21.402 11.535 -19.197 324 HB2 ALA 48 HB2 ALA 48 -21.102 12.386 -20.711 325 HB3 ALA 48 HB3 ALA 48 -19.749 11.755 -19.769 326 H THR 49 HN THR 49 -21.436 11.245 -23.018 327 HA THR 49 HA THR 49 -19.115 10.259 -24.443 328 HB THR 49 HB THR 49 -21.389 11.958 -25.494 329 HG1 THR 49 HG1 THR 49 -21.274 9.234 -24.840 330 HG21 THR 49 HG21 THR 49 -19.496 10.028 -26.854 331 HG22 THR 49 HG22 THR 49 -19.411 11.789 -26.943 332 HG23 THR 49 HG23 THR 49 -20.786 10.936 -27.642 333 H ILE 50 HN ILE 50 -17.364 11.500 -24.325 334 HA ILE 50 HA ILE 50 -17.520 14.425 -23.989 335 HB ILE 50 HB ILE 50 -15.042 12.763 -24.385 336 HG12 ILE 50 HG12 ILE 50 -16.283 11.722 -22.538 337 HG13 ILE 50 HG11 ILE 50 -14.781 12.464 -21.977 338 HG21 ILE 50 HG21 ILE 50 -15.514 15.368 -22.948 339 HG22 ILE 50 HG22 ILE 50 -14.744 15.151 -24.519 340 HG23 ILE 50 HG23 ILE 50 -13.962 14.537 -23.060 341 HD11 ILE 50 HD11 ILE 50 -16.092 14.361 -21.131 342 HD12 ILE 50 HD12 ILE 50 -16.587 12.826 -20.413 343 HD13 ILE 50 HD13 ILE 50 -17.570 13.563 -21.679 344 H THR 51 HN THR 51 -16.761 15.723 -25.649 345 HA THR 51 HA THR 51 -15.965 14.371 -28.113 346 HB THR 51 HB THR 51 -18.080 16.532 -28.059 347 HG1 THR 51 HG1 THR 51 -18.177 13.900 -27.643 348 HG21 THR 51 HG21 THR 51 -17.039 14.784 -30.308 349 HG22 THR 51 HG22 THR 51 -16.725 16.507 -30.117 350 HG23 THR 51 HG23 THR 51 -18.364 15.940 -30.442 351 H ALA 52 HN ALA 52 -14.034 15.088 -28.471 352 HA ALA 52 HA ALA 52 -13.549 17.974 -28.467 353 HB1 ALA 52 HB1 ALA 52 -11.346 17.622 -27.466 354 HB2 ALA 52 HB2 ALA 52 -11.695 15.899 -27.295 355 HB3 ALA 52 HB3 ALA 52 -12.631 17.086 -26.383 356 H ARG 53 HN ARG 53 -12.478 18.627 -30.198 357 HA ARG 53 HA ARG 53 -11.634 18.709 -32.282 358 HB2 ARG 53 HB2 ARG 53 -10.275 16.107 -31.632 359 HB3 ARG 53 HB1 ARG 53 -9.802 17.250 -32.899 360 HG2 ARG 53 HG2 ARG 53 -9.378 18.882 -31.065 361 HG3 ARG 53 HG1 ARG 53 -9.604 17.540 -29.926 362 HD2 ARG 53 HD2 ARG 53 -7.457 17.962 -31.981 363 HD3 ARG 53 HD1 ARG 53 -7.339 17.606 -30.248 364 HE ARG 53 HE ARG 53 -8.600 15.524 -31.721 365 HH11 ARG 53 HH11 ARG 53 -5.456 16.670 -30.600 366 HH12 ARG 53 HH12 ARG 53 -4.623 15.267 -31.045 367 HH21 ARG 53 HH21 ARG 53 -7.467 13.591 -32.340 368 HH22 ARG 53 HH22 ARG 53 -5.799 13.462 -32.054 369 H GLY 54 HN GLY 54 -14.055 17.306 -31.758 370 HA2 GLY 54 HA2 GLY 54 -15.686 16.289 -33.086 371 HA3 GLY 54 HA1 GLY 54 -14.446 16.033 -34.321 372 H HIS 55 HN HIS 55 -13.275 14.859 -31.421 373 HA HIS 55 HA HIS 55 -13.895 12.115 -32.191 374 HB2 HIS 55 HB2 HIS 55 -12.037 13.262 -30.101 375 HB3 HIS 55 HB1 HIS 55 -12.293 11.541 -30.357 376 HD1 HIS 55 HD1 HIS 55 -10.423 10.526 -31.604 377 HD2 HIS 55 HD2 HIS 55 -10.974 14.510 -32.627 378 HE1 HIS 55 HE1 HIS 55 -8.510 11.117 -33.121 379 H GLU 56 HN GLU 56 -15.580 11.163 -31.230 380 HA GLU 56 HA GLU 56 -16.532 12.192 -28.685 381 HB2 GLU 56 HB2 GLU 56 -17.714 10.122 -30.525 382 HB3 GLU 56 HB1 GLU 56 -18.475 10.791 -29.076 383 HG2 GLU 56 HG2 GLU 56 -18.482 12.997 -30.116 384 HG3 GLU 56 HG1 GLU 56 -17.764 12.308 -31.573 385 H PHE 57 HN PHE 57 -16.008 11.217 -26.882 386 HA PHE 57 HA PHE 57 -14.883 8.512 -26.963 387 HB2 PHE 57 HB2 PHE 57 -14.478 10.667 -24.896 388 HB3 PHE 57 HB1 PHE 57 -13.610 9.137 -25.057 389 HD1 PHE 57 HD1 PHE 57 -12.317 8.864 -27.337 390 HD2 PHE 57 HD2 PHE 57 -13.503 12.581 -25.646 391 HE1 PHE 57 HE1 PHE 57 -10.583 10.019 -28.642 392 HE2 PHE 57 HE2 PHE 57 -11.782 13.734 -26.943 393 HZ PHE 57 HZ PHE 57 -10.326 12.463 -28.446 394 H GLU 58 HN GLU 58 -16.315 7.088 -26.076 395 HA GLU 58 HA GLU 58 -18.335 8.059 -24.208 396 HB2 GLU 58 HB2 GLU 58 -18.642 6.347 -26.088 397 HB3 GLU 58 HB1 GLU 58 -17.824 5.194 -25.017 398 HG2 GLU 58 HG2 GLU 58 -20.124 4.830 -24.720 399 HG3 GLU 58 HG1 GLU 58 -19.641 5.811 -23.336 400 H VAL 59 HN VAL 59 -17.541 8.299 -22.225 401 HA VAL 59 HA VAL 59 -15.605 6.287 -21.201 402 HB VAL 59 HB VAL 59 -14.400 7.994 -19.967 403 HG11 VAL 59 HG11 VAL 59 -14.580 8.669 -22.885 404 HG12 VAL 59 HG12 VAL 59 -13.478 7.522 -22.106 405 HG13 VAL 59 HG13 VAL 59 -13.326 9.248 -21.793 406 HG21 VAL 59 HG21 VAL 59 -16.156 9.603 -19.563 407 HG22 VAL 59 HG22 VAL 59 -16.228 10.000 -21.277 408 HG23 VAL 59 HG23 VAL 59 -14.791 10.409 -20.341 409 H GLU 60 HN GLU 60 -15.470 6.238 -18.956 410 HA GLU 60 HA GLU 60 -17.961 7.024 -17.604 411 HB2 GLU 60 HB2 GLU 60 -17.573 4.550 -17.796 412 HB3 GLU 60 HB1 GLU 60 -16.081 4.771 -16.884 413 HG2 GLU 60 HG2 GLU 60 -17.352 5.546 -14.956 414 HG3 GLU 60 HG1 GLU 60 -18.855 5.378 -15.863 415 H ALA 61 HN ALA 61 -17.711 8.406 -15.980 416 HA ALA 61 HA ALA 61 -15.050 9.231 -15.179 417 HB1 ALA 61 HB1 ALA 61 -17.737 9.894 -13.924 418 HB2 ALA 61 HB2 ALA 61 -16.892 10.875 -15.122 419 HB3 ALA 61 HB3 ALA 61 -16.206 10.666 -13.509 420 H LYS 62 HN LYS 62 -13.957 7.671 -14.264 421 HA LYS 62 HA LYS 62 -15.169 5.477 -12.937 422 HB2 LYS 62 HB2 LYS 62 -12.265 6.193 -13.082 423 HB3 LYS 62 HB1 LYS 62 -12.935 4.626 -12.688 424 HG2 LYS 62 HG2 LYS 62 -13.187 6.041 -15.328 425 HG3 LYS 62 HG1 LYS 62 -12.040 4.754 -14.916 426 HD2 LYS 62 HD2 LYS 62 -15.065 4.504 -14.913 427 HD3 LYS 62 HD1 LYS 62 -14.014 3.949 -16.211 428 HE2 LYS 62 HE2 LYS 62 -12.956 2.362 -14.694 429 HE3 LYS 62 HE1 LYS 62 -13.953 2.954 -13.364 430 HZ1 LYS 62 HZ1 LYS 62 -14.897 0.956 -14.257 431 HZ2 LYS 62 HZ2 LYS 62 -14.914 1.594 -15.813 432 HZ3 LYS 62 HZ3 LYS 62 -15.911 2.266 -14.616 433 H ASP 63 HN ASP 63 -12.786 7.843 -11.757 434 HA ASP 63 HA ASP 63 -13.682 7.202 -9.025 435 HB2 ASP 63 HB2 ASP 63 -11.540 6.519 -8.318 436 HB3 ASP 63 HB1 ASP 63 -11.860 5.652 -9.817 437 H GLN 64 HN GLN 64 -11.824 8.337 -7.578 438 HA GLN 64 HA GLN 64 -12.338 11.123 -7.900 439 HB2 GLN 64 HB2 GLN 64 -10.903 11.225 -5.717 440 HB3 GLN 64 HB1 GLN 64 -12.548 10.631 -5.689 441 HG2 GLN 64 HG2 GLN 64 -11.212 9.193 -4.345 442 HG3 GLN 64 HG1 GLN 64 -11.665 8.307 -5.782 443 HE21 GLN 64 HE21 GLN 64 -9.033 10.689 -5.507 444 HE22 GLN 64 HE22 GLN 64 -7.793 9.534 -5.815 445 H ASN 65 HN ASN 65 -9.740 9.195 -8.992 446 HA ASN 65 HA ASN 65 -8.018 11.527 -9.129 447 HB2 ASN 65 HB2 ASN 65 -7.699 8.730 -10.272 448 HB3 ASN 65 HB1 ASN 65 -6.502 10.023 -10.403 449 HD21 ASN 65 HD21 ASN 65 -7.969 7.680 -8.388 450 HD22 ASN 65 HD22 ASN 65 -6.839 7.746 -7.081 451 H CYS 66 HN CYS 66 -10.613 10.168 -10.613 452 HA CYS 66 HA CYS 66 -11.703 10.337 -12.488 453 HB2 CYS 66 HB2 CYS 66 -10.141 12.904 -12.634 454 HB3 CYS 66 HB1 CYS 66 -11.391 12.494 -13.812 455 H LYS 67 HN LYS 67 -9.930 8.493 -12.650 456 HA LYS 67 HA LYS 67 -8.111 8.683 -14.702 457 HB2 LYS 67 HB2 LYS 67 -8.608 6.845 -12.835 458 HB3 LYS 67 HB1 LYS 67 -9.605 6.196 -14.135 459 HG2 LYS 67 HG2 LYS 67 -7.464 5.054 -13.975 460 HG3 LYS 67 HG1 LYS 67 -7.657 5.881 -15.522 461 HD2 LYS 67 HD2 LYS 67 -6.474 7.463 -13.395 462 HD3 LYS 67 HD1 LYS 67 -5.449 6.116 -13.943 463 HE2 LYS 67 HE2 LYS 67 -5.547 6.897 -16.174 464 HE3 LYS 67 HE1 LYS 67 -6.799 8.065 -15.745 465 HZ1 LYS 67 HZ1 LYS 67 -5.066 9.219 -14.390 466 HZ2 LYS 67 HZ2 LYS 67 -4.643 9.167 -16.001 467 HZ3 LYS 67 HZ3 LYS 67 -3.913 8.110 -14.913 468 H VAL 68 HN VAL 68 -8.693 9.134 -16.790 469 HA VAL 68 HA VAL 68 -11.415 8.737 -17.524 470 HB VAL 68 HB VAL 68 -10.421 10.845 -18.173 471 HG11 VAL 68 HG11 VAL 68 -8.736 11.046 -19.938 472 HG12 VAL 68 HG12 VAL 68 -8.540 9.293 -19.934 473 HG13 VAL 68 HG13 VAL 68 -8.116 10.228 -18.505 474 HG21 VAL 68 HG21 VAL 68 -11.073 9.170 -20.581 475 HG22 VAL 68 HG22 VAL 68 -11.138 10.935 -20.507 476 HG23 VAL 68 HG23 VAL 68 -12.237 9.958 -19.529 477 H ILE 69 HN ILE 69 -11.930 6.797 -17.746 478 HA ILE 69 HA ILE 69 -10.541 5.188 -19.744 479 HB ILE 69 HB ILE 69 -11.984 4.283 -17.226 480 HG12 ILE 69 HG12 ILE 69 -9.094 4.025 -18.047 481 HG13 ILE 69 HG11 ILE 69 -9.729 5.232 -16.934 482 HG21 ILE 69 HG21 ILE 69 -11.323 2.000 -17.839 483 HG22 ILE 69 HG22 ILE 69 -10.668 2.598 -19.366 484 HG23 ILE 69 HG23 ILE 69 -12.398 2.699 -19.052 485 HD11 ILE 69 HD11 ILE 69 -9.750 2.242 -16.540 486 HD12 ILE 69 HD12 ILE 69 -10.386 3.428 -15.399 487 HD13 ILE 69 HD13 ILE 69 -8.662 3.381 -15.752 488 H LEU 70 HN LEU 70 -11.670 4.439 -21.303 489 HA LEU 70 HA LEU 70 -14.225 5.455 -21.931 490 HB2 LEU 70 HB2 LEU 70 -12.590 3.320 -23.075 491 HB3 LEU 70 HB1 LEU 70 -14.054 3.866 -23.859 492 HG LEU 70 HG LEU 70 -11.784 5.746 -23.308 493 HD11 LEU 70 HD11 LEU 70 -11.045 5.339 -25.667 494 HD12 LEU 70 HD12 LEU 70 -12.204 4.015 -25.775 495 HD13 LEU 70 HD13 LEU 70 -10.844 3.917 -24.649 496 HD21 LEU 70 HD21 LEU 70 -13.956 5.740 -25.394 497 HD22 LEU 70 HD22 LEU 70 -12.741 7.002 -25.174 498 HD23 LEU 70 HD23 LEU 70 -13.949 6.705 -23.925 499 H THR 71 HN THR 71 -15.832 3.899 -22.709 500 HA THR 71 HA THR 71 -16.793 2.198 -20.643 501 HB THR 71 HB THR 71 -18.498 1.555 -22.434 502 HG1 THR 71 HG1 THR 71 -18.288 2.433 -24.355 503 HG21 THR 71 HG21 THR 71 -18.903 3.317 -20.763 504 HG22 THR 71 HG22 THR 71 -19.592 3.757 -22.323 505 HG23 THR 71 HG23 THR 71 -18.073 4.484 -21.793 506 H ASN 72 HN ASN 72 -14.909 1.708 -23.430 507 HA ASN 72 HA ASN 72 -15.216 -1.157 -23.545 508 HB2 ASN 72 HB2 ASN 72 -13.217 0.639 -24.951 509 HB3 ASN 72 HB1 ASN 72 -13.370 -1.103 -25.219 510 HD21 ASN 72 HD21 ASN 72 -14.702 2.034 -25.895 511 HD22 ASN 72 HD22 ASN 72 -15.929 1.466 -26.955 512 H GLY 73 HN GLY 73 -13.679 0.783 -21.377 513 HA2 GLY 73 HA2 GLY 73 -12.406 0.152 -19.588 514 HA3 GLY 73 HA1 GLY 73 -12.161 -1.430 -20.355 515 H LYS 74 HN LYS 74 -11.660 1.410 -22.199 516 HA LYS 74 HA LYS 74 -8.831 0.810 -22.127 517 HB2 LYS 74 HB2 LYS 74 -10.431 1.918 -24.433 518 HB3 LYS 74 HB1 LYS 74 -8.739 1.447 -24.448 519 HG2 LYS 74 HG2 LYS 74 -11.128 -0.379 -24.140 520 HG3 LYS 74 HG1 LYS 74 -10.090 -0.232 -25.554 521 HD2 LYS 74 HD2 LYS 74 -8.217 -1.162 -24.336 522 HD3 LYS 74 HD1 LYS 74 -9.139 -1.139 -22.836 523 HE2 LYS 74 HE2 LYS 74 -9.060 -3.393 -23.763 524 HE3 LYS 74 HE1 LYS 74 -10.706 -2.772 -23.741 525 HZ1 LYS 74 HZ1 LYS 74 -8.923 -2.907 -26.110 526 HZ2 LYS 74 HZ2 LYS 74 -10.486 -2.286 -26.128 527 HZ3 LYS 74 HZ3 LYS 74 -10.215 -3.917 -25.800 528 H GLN 75 HN GLN 75 -7.452 2.592 -22.316 529 HA GLN 75 HA GLN 75 -8.437 4.865 -20.928 530 HB2 GLN 75 HB2 GLN 75 -5.737 4.351 -22.158 531 HB3 GLN 75 HB1 GLN 75 -6.142 5.788 -21.238 532 HG2 GLN 75 HG2 GLN 75 -6.670 4.316 -19.303 533 HG3 GLN 75 HG1 GLN 75 -6.056 2.957 -20.242 534 HE21 GLN 75 HE21 GLN 75 -5.125 4.136 -17.761 535 HE22 GLN 75 HE22 GLN 75 -3.472 4.566 -18.002 536 H ALA 76 HN ALA 76 -8.745 6.821 -21.603 537 HA ALA 76 HA ALA 76 -9.255 7.253 -24.372 538 HB1 ALA 76 HB1 ALA 76 -10.191 9.364 -23.555 539 HB2 ALA 76 HB2 ALA 76 -9.491 9.065 -21.971 540 HB3 ALA 76 HB3 ALA 76 -10.775 8.015 -22.577 541 HA PRO 77 HA PRO 77 -5.630 9.367 -25.821 542 HB2 PRO 77 HB2 PRO 77 -7.183 11.905 -25.625 543 HB3 PRO 77 HB1 PRO 77 -6.158 11.312 -26.959 544 HG2 PRO 77 HG2 PRO 77 -8.725 11.091 -27.183 545 HG3 PRO 77 HG1 PRO 77 -7.689 9.700 -27.600 546 HD2 PRO 77 HD2 PRO 77 -9.368 10.105 -25.160 547 HD3 PRO 77 HD1 PRO 77 -9.053 8.621 -26.077 548 H ASP 78 HN ASP 78 -3.882 10.566 -25.258 549 HA ASP 78 HA ASP 78 -3.485 10.881 -22.472 550 HB2 ASP 78 HB2 ASP 78 -1.796 10.079 -24.174 551 HB3 ASP 78 HB1 ASP 78 -1.644 11.745 -24.703 552 H TRP 79 HN TRP 79 -4.383 12.978 -25.020 553 HA TRP 79 HA TRP 79 -3.723 15.395 -23.571 554 HB2 TRP 79 HB2 TRP 79 -4.649 16.541 -25.626 555 HB3 TRP 79 HB1 TRP 79 -3.285 15.458 -25.916 556 HD1 TRP 79 HD1 TRP 79 -3.674 13.459 -27.398 557 HE1 TRP 79 HE1 TRP 79 -5.602 12.664 -28.939 558 HE3 TRP 79 HE3 TRP 79 -7.281 16.625 -25.780 559 HZ2 TRP 79 HZ2 TRP 79 -8.312 13.344 -29.382 560 HZ3 TRP 79 HZ3 TRP 79 -9.509 16.516 -26.796 561 HH2 TRP 79 HH2 TRP 79 -10.016 14.906 -28.561 562 H LEU 80 HN LEU 80 -6.232 13.245 -23.486 563 HA LEU 80 HA LEU 80 -8.271 15.251 -23.063 564 HB2 LEU 80 HB2 LEU 80 -8.845 13.092 -24.231 565 HB3 LEU 80 HB1 LEU 80 -8.386 12.247 -22.756 566 HG LEU 80 HG LEU 80 -10.213 13.272 -21.550 567 HD11 LEU 80 HD11 LEU 80 -10.338 15.407 -22.712 568 HD12 LEU 80 HD12 LEU 80 -11.907 14.610 -22.718 569 HD13 LEU 80 HD13 LEU 80 -10.907 14.595 -24.171 570 HD21 LEU 80 HD21 LEU 80 -12.082 12.186 -22.716 571 HD22 LEU 80 HD22 LEU 80 -10.633 11.180 -22.680 572 HD23 LEU 80 HD23 LEU 80 -11.078 12.033 -24.158 573 H ALA 81 HN ALA 81 -8.313 16.194 -21.142 574 HA ALA 81 HA ALA 81 -6.884 14.863 -18.961 575 HB1 ALA 81 HB1 ALA 81 -5.972 17.001 -19.672 576 HB2 ALA 81 HB2 ALA 81 -6.619 17.097 -18.029 577 HB3 ALA 81 HB3 ALA 81 -7.532 17.768 -19.380 578 H ALA 82 HN ALA 82 -7.825 14.607 -17.036 579 HA ALA 82 HA ALA 82 -10.530 15.640 -16.689 580 HB1 ALA 82 HB1 ALA 82 -10.687 13.273 -17.330 581 HB2 ALA 82 HB2 ALA 82 -11.228 13.541 -15.677 582 HB3 ALA 82 HB3 ALA 82 -9.634 12.844 -15.979 583 H GLU 83 HN GLU 83 -10.789 16.620 -14.849 584 HA GLU 83 HA GLU 83 -8.713 16.393 -12.790 585 HB2 GLU 83 HB2 GLU 83 -10.527 18.741 -13.405 586 HB3 GLU 83 HB1 GLU 83 -9.202 18.715 -12.254 587 HG2 GLU 83 HG2 GLU 83 -8.816 18.345 -15.212 588 HG3 GLU 83 HG1 GLU 83 -8.775 19.912 -14.416 589 HA PRO 84 HA PRO 84 -12.088 14.851 -10.278 590 HB2 PRO 84 HB2 PRO 84 -10.904 15.180 -7.850 591 HB3 PRO 84 HB1 PRO 84 -10.411 13.905 -8.987 592 HG2 PRO 84 HG2 PRO 84 -9.185 16.566 -8.499 593 HG3 PRO 84 HG1 PRO 84 -8.413 14.967 -8.627 594 HD2 PRO 84 HD2 PRO 84 -8.392 16.589 -10.718 595 HD3 PRO 84 HD1 PRO 84 -8.699 14.829 -10.847 596 H TYR 85 HN TYR 85 -13.924 15.996 -9.942 597 HA TYR 85 HA TYR 85 -13.621 18.601 -8.758 598 HB2 TYR 85 HB2 TYR 85 -14.728 18.581 -10.957 599 HB3 TYR 85 HB1 TYR 85 -15.969 17.497 -10.312 600 HD1 TYR 85 HD1 TYR 85 -14.489 20.877 -9.868 601 HD2 TYR 85 HD2 TYR 85 -17.908 18.412 -9.369 602 HE1 TYR 85 HE1 TYR 85 -15.805 22.847 -9.211 603 HE2 TYR 85 HE2 TYR 85 -19.237 20.367 -8.713 604 HH TYR 85 HH TYR 85 -18.919 22.531 -7.818 Start of MODEL 17 1 H SER 7 HT1 SER 7 -2.177 -3.167 12.079 2 HA SER 7 HA SER 7 -1.337 -1.887 13.907 3 HB2 SER 7 HB2 SER 7 -1.089 0.262 12.584 4 HB3 SER 7 HB1 SER 7 -0.692 -1.218 11.690 5 HG SER 7 HG SER 7 -1.990 0.122 10.444 6 H GLY 8 HN GLY 8 -4.212 -0.265 12.572 7 HA2 GLY 8 HA2 GLY 8 -5.624 -0.081 14.961 8 HA3 GLY 8 HA1 GLY 8 -4.589 1.336 14.894 9 H ARG 9 HN ARG 9 -5.533 0.229 11.790 10 HA ARG 9 HA ARG 9 -7.645 2.179 11.743 11 HB2 ARG 9 HB2 ARG 9 -6.988 2.644 9.444 12 HB3 ARG 9 HB1 ARG 9 -5.817 3.184 10.643 13 HG2 ARG 9 HG2 ARG 9 -4.386 1.323 10.098 14 HG3 ARG 9 HG1 ARG 9 -5.655 0.683 9.036 15 HD2 ARG 9 HD2 ARG 9 -4.066 1.813 7.622 16 HD3 ARG 9 HD1 ARG 9 -5.559 2.758 7.812 17 HE ARG 9 HE ARG 9 -3.669 3.549 9.722 18 HH11 ARG 9 HH11 ARG 9 -4.518 3.980 6.321 19 HH12 ARG 9 HH12 ARG 9 -3.645 5.425 6.121 20 HH21 ARG 9 HH21 ARG 9 -2.469 5.526 9.486 21 HH22 ARG 9 HH22 ARG 9 -2.431 6.332 7.992 22 H GLU 10 HN GLU 10 -9.126 0.641 12.104 23 HA GLU 10 HA GLU 10 -9.675 -1.030 9.793 24 HB2 GLU 10 HB2 GLU 10 -10.130 -1.616 12.701 25 HB3 GLU 10 HB1 GLU 10 -10.779 -2.576 11.382 26 HG2 GLU 10 HG2 GLU 10 -8.511 -3.113 10.649 27 HG3 GLU 10 HG1 GLU 10 -7.856 -2.113 11.936 28 H ASN 11 HN ASN 11 -10.861 0.680 8.987 29 HA ASN 11 HA ASN 11 -13.532 0.760 9.841 30 HB2 ASN 11 HB2 ASN 11 -13.721 3.209 10.239 31 HB3 ASN 11 HB1 ASN 11 -12.702 2.445 11.439 32 HD21 ASN 11 HD21 ASN 11 -10.493 2.977 11.491 33 HD22 ASN 11 HD22 ASN 11 -9.851 4.320 10.615 34 H LEU 12 HN LEU 12 -14.401 0.436 8.057 35 HA LEU 12 HA LEU 12 -13.386 1.744 5.659 36 HB2 LEU 12 HB2 LEU 12 -15.199 -0.651 5.984 37 HB3 LEU 12 HB1 LEU 12 -14.973 0.149 4.447 38 HG LEU 12 HG LEU 12 -12.531 -0.398 4.615 39 HD11 LEU 12 HD11 LEU 12 -12.342 -0.792 7.004 40 HD12 LEU 12 HD12 LEU 12 -11.827 -2.212 6.094 41 HD13 LEU 12 HD13 LEU 12 -13.411 -2.190 6.871 42 HD21 LEU 12 HD21 LEU 12 -12.824 -2.742 3.938 43 HD22 LEU 12 HD22 LEU 12 -14.011 -1.669 3.197 44 HD23 LEU 12 HD23 LEU 12 -14.477 -2.694 4.554 45 H TYR 13 HN TYR 13 -14.219 3.613 5.417 46 HA TYR 13 HA TYR 13 -16.511 4.683 6.513 47 HB2 TYR 13 HB2 TYR 13 -14.613 5.954 5.548 48 HB3 TYR 13 HB1 TYR 13 -15.145 5.489 3.942 49 HD1 TYR 13 HD2 TYR 13 -16.467 7.153 7.006 50 HD2 TYR 13 HD1 TYR 13 -16.439 7.011 2.756 51 HE1 TYR 13 HE2 TYR 13 -17.872 9.159 6.935 52 HE2 TYR 13 HE1 TYR 13 -17.845 9.029 2.679 53 HH TYR 13 HH TYR 13 -19.404 10.250 4.092 54 H PHE 14 HN PHE 14 -18.628 4.713 5.975 55 HA PHE 14 HA PHE 14 -19.410 2.895 3.883 56 HB2 PHE 14 HB2 PHE 14 -21.096 4.334 5.940 57 HB3 PHE 14 HB1 PHE 14 -21.693 3.127 4.807 58 HD1 PHE 14 HD2 PHE 14 -20.680 0.806 4.910 59 HD2 PHE 14 HD1 PHE 14 -20.199 3.688 8.000 60 HE1 PHE 14 HE2 PHE 14 -20.074 -0.981 6.475 61 HE2 PHE 14 HE1 PHE 14 -19.588 1.900 9.573 62 HZ PHE 14 HZ PHE 14 -19.526 -0.437 8.814 63 H GLN 15 HN GLN 15 -19.151 3.760 2.057 64 HA GLN 15 HA GLN 15 -20.792 5.208 0.601 65 HB2 GLN 15 HB2 GLN 15 -20.424 7.186 2.046 66 HB3 GLN 15 HB1 GLN 15 -18.711 7.126 1.682 67 HG2 GLN 15 HG2 GLN 15 -19.232 7.521 -0.710 68 HG3 GLN 15 HG1 GLN 15 -20.929 7.704 -0.271 69 HE21 GLN 15 HE21 GLN 15 -17.772 9.074 -0.068 70 HE22 GLN 15 HE22 GLN 15 -18.271 10.659 0.411 71 H GLY 16 HN GLY 16 -17.822 4.744 1.488 72 HA2 GLY 16 HA2 GLY 16 -16.639 3.224 -0.393 73 HA3 GLY 16 HA1 GLY 16 -16.512 4.829 -1.125 74 H HIS 17 HN HIS 17 -14.149 4.032 -0.783 75 HA HIS 17 HA HIS 17 -13.233 4.409 1.917 76 HB2 HIS 17 HB2 HIS 17 -11.809 3.796 -0.652 77 HB3 HIS 17 HB1 HIS 17 -10.902 4.282 0.779 78 HD1 HIS 17 HD1 HIS 17 -10.033 2.279 1.982 79 HD2 HIS 17 HD2 HIS 17 -13.719 1.551 0.200 80 HE1 HIS 17 HE1 HIS 17 -10.671 -0.067 2.626 81 H MET 18 HN MET 18 -13.651 6.364 -0.822 82 HA MET 18 HA MET 18 -12.075 8.535 0.356 83 HB2 MET 18 HB2 MET 18 -11.966 7.824 -2.119 84 HB3 MET 18 HB1 MET 18 -13.556 8.565 -2.260 85 HG2 MET 18 HG2 MET 18 -11.834 10.076 -2.961 86 HG3 MET 18 HG1 MET 18 -12.636 10.690 -1.511 87 HE1 MET 18 HE1 MET 18 -8.903 11.901 -1.118 88 HE2 MET 18 HE2 MET 18 -10.589 12.407 -1.210 89 HE3 MET 18 HE3 MET 18 -9.790 11.737 -2.633 90 H ALA 19 HN ALA 19 -13.175 10.483 1.011 91 HA ALA 19 HA ALA 19 -15.903 9.951 1.661 92 HB1 ALA 19 HB1 ALA 19 -14.266 12.358 2.436 93 HB2 ALA 19 HB2 ALA 19 -14.386 10.871 3.374 94 HB3 ALA 19 HB3 ALA 19 -15.811 11.878 3.131 95 H ALA 20 HN ALA 20 -14.804 10.745 -0.897 96 HA ALA 20 HA ALA 20 -15.363 11.774 -2.827 97 HB1 ALA 20 HB1 ALA 20 -17.699 12.020 -3.367 98 HB2 ALA 20 HB2 ALA 20 -18.131 11.979 -1.655 99 HB3 ALA 20 HB3 ALA 20 -17.457 10.547 -2.428 100 HA PRO 21 HA PRO 21 -15.203 16.158 -1.526 101 HB2 PRO 21 HB2 PRO 21 -12.658 16.674 -2.289 102 HB3 PRO 21 HB1 PRO 21 -13.021 16.016 -0.674 103 HG2 PRO 21 HG2 PRO 21 -11.964 14.623 -3.066 104 HG3 PRO 21 HG1 PRO 21 -11.595 14.381 -1.346 105 HD2 PRO 21 HD2 PRO 21 -13.289 12.785 -2.803 106 HD3 PRO 21 HD1 PRO 21 -13.312 12.946 -1.038 107 H ALA 22 HN ALA 22 -14.527 14.176 -4.201 108 HA ALA 22 HA ALA 22 -14.881 16.365 -6.121 109 HB1 ALA 22 HB1 ALA 22 -12.765 15.148 -6.396 110 HB2 ALA 22 HB2 ALA 22 -13.843 14.860 -7.762 111 HB3 ALA 22 HB3 ALA 22 -13.655 13.630 -6.513 112 H ARG 23 HN ARG 23 -16.581 16.228 -7.447 113 HA ARG 23 HA ARG 23 -18.376 13.901 -7.044 114 HB2 ARG 23 HB2 ARG 23 -18.981 16.191 -6.036 115 HB3 ARG 23 HB1 ARG 23 -19.322 16.669 -7.693 116 HG2 ARG 23 HG2 ARG 23 -21.025 14.989 -7.871 117 HG3 ARG 23 HG1 ARG 23 -20.611 14.358 -6.272 118 HD2 ARG 23 HD2 ARG 23 -21.855 17.004 -6.973 119 HD3 ARG 23 HD1 ARG 23 -22.505 15.736 -5.934 120 HE ARG 23 HE ARG 23 -20.747 17.846 -5.212 121 HH11 ARG 23 HH11 ARG 23 -21.455 14.455 -4.320 122 HH12 ARG 23 HH12 ARG 23 -20.897 14.635 -2.738 123 HH21 ARG 23 HH21 ARG 23 -19.955 18.036 -3.023 124 HH22 ARG 23 HH22 ARG 23 -20.047 16.719 -1.963 125 H PHE 24 HN PHE 24 -16.837 16.025 -9.233 126 HA PHE 24 HA PHE 24 -17.942 14.529 -11.491 127 HB2 PHE 24 HB2 PHE 24 -17.455 17.534 -11.407 128 HB3 PHE 24 HB1 PHE 24 -17.816 16.604 -12.859 129 HD1 PHE 24 HD1 PHE 24 -19.182 17.847 -9.662 130 HD2 PHE 24 HD2 PHE 24 -20.046 16.096 -13.437 131 HE1 PHE 24 HE1 PHE 24 -21.573 18.321 -9.328 132 HE2 PHE 24 HE2 PHE 24 -22.439 16.559 -13.110 133 HZ PHE 24 HZ PHE 24 -23.206 17.674 -11.056 134 H CYS 25 HN CYS 25 -16.446 14.598 -13.301 135 HA CYS 25 HA CYS 25 -13.747 15.419 -12.580 136 HB2 CYS 25 HB2 CYS 25 -14.694 13.284 -14.522 137 HB3 CYS 25 HB1 CYS 25 -13.013 13.764 -14.276 138 H VAL 26 HN VAL 26 -12.955 16.948 -13.856 139 HA VAL 26 HA VAL 26 -14.669 18.088 -16.002 140 HB VAL 26 HB VAL 26 -12.112 19.255 -14.989 141 HG11 VAL 26 HG11 VAL 26 -13.214 21.353 -15.499 142 HG12 VAL 26 HG12 VAL 26 -14.656 20.462 -15.984 143 HG13 VAL 26 HG13 VAL 26 -13.150 20.265 -16.885 144 HG21 VAL 26 HG21 VAL 26 -13.287 18.754 -12.954 145 HG22 VAL 26 HG22 VAL 26 -14.754 19.515 -13.575 146 HG23 VAL 26 HG23 VAL 26 -13.322 20.492 -13.246 147 H TYR 27 HN TYR 27 -14.176 17.819 -18.030 148 HA TYR 27 HA TYR 27 -11.513 16.806 -18.651 149 HB2 TYR 27 HB2 TYR 27 -14.100 16.552 -20.191 150 HB3 TYR 27 HB1 TYR 27 -12.491 16.164 -20.827 151 HD1 TYR 27 HD2 TYR 27 -14.578 15.351 -17.808 152 HD2 TYR 27 HD1 TYR 27 -11.811 14.024 -20.732 153 HE1 TYR 27 HE2 TYR 27 -14.647 13.087 -16.843 154 HE2 TYR 27 HE1 TYR 27 -11.869 11.786 -19.783 155 HH TYR 27 HH TYR 27 -14.186 10.767 -17.537 156 H TYR 28 HN TYR 28 -10.248 17.776 -20.029 157 HA TYR 28 HA TYR 28 -11.149 20.324 -21.203 158 HB2 TYR 28 HB2 TYR 28 -8.436 19.827 -20.022 159 HB3 TYR 28 HB1 TYR 28 -9.100 21.344 -20.625 160 HD1 TYR 28 HD1 TYR 28 -9.055 18.936 -17.881 161 HD2 TYR 28 HD2 TYR 28 -10.480 22.725 -19.179 162 HE1 TYR 28 HE1 TYR 28 -9.568 19.528 -15.572 163 HE2 TYR 28 HE2 TYR 28 -11.001 23.319 -16.848 164 HH TYR 28 HH TYR 28 -9.765 21.456 -14.292 165 H ASP 29 HN ASP 29 -10.030 20.896 -23.041 166 HA ASP 29 HA ASP 29 -8.630 18.837 -24.546 167 HB2 ASP 29 HB2 ASP 29 -10.371 20.170 -25.672 168 HB3 ASP 29 HB1 ASP 29 -9.486 21.642 -25.274 169 H GLY 30 HN GLY 30 -6.597 18.728 -23.690 170 HA2 GLY 30 HA2 GLY 30 -4.523 19.971 -24.488 171 HA3 GLY 30 HA1 GLY 30 -5.100 21.241 -23.413 172 H HIS 31 HN HIS 31 -2.821 19.488 -23.536 173 HA HIS 31 HA HIS 31 -2.944 17.792 -21.194 174 HB2 HIS 31 HB2 HIS 31 -0.562 17.303 -21.698 175 HB3 HIS 31 HB1 HIS 31 -1.596 17.073 -23.116 176 HD1 HIS 31 HD1 HIS 31 1.399 18.945 -21.940 177 HD2 HIS 31 HD2 HIS 31 -1.325 19.156 -25.075 178 HE1 HIS 31 HE1 HIS 31 2.391 20.527 -23.620 179 H LEU 32 HN LEU 32 -2.301 21.062 -21.815 180 HA LEU 32 HA LEU 32 -0.337 21.278 -19.682 181 HB2 LEU 32 HB2 LEU 32 0.090 22.107 -22.053 182 HB3 LEU 32 HB1 LEU 32 -1.104 23.344 -21.732 183 HG LEU 32 HG LEU 32 0.288 24.115 -19.845 184 HD11 LEU 32 HD11 LEU 32 1.556 22.026 -19.468 185 HD12 LEU 32 HD12 LEU 32 2.626 23.390 -19.753 186 HD13 LEU 32 HD13 LEU 32 2.326 22.228 -21.041 187 HD21 LEU 32 HD21 LEU 32 1.971 25.226 -21.257 188 HD22 LEU 32 HD22 LEU 32 0.370 25.241 -21.995 189 HD23 LEU 32 HD23 LEU 32 1.594 24.107 -22.565 190 HA PRO 33 HA PRO 33 -3.696 22.685 -17.124 191 HB2 PRO 33 HB2 PRO 33 -2.182 23.936 -15.194 192 HB3 PRO 33 HB1 PRO 33 -2.446 22.185 -15.273 193 HG2 PRO 33 HG2 PRO 33 -0.116 23.752 -16.214 194 HG3 PRO 33 HG1 PRO 33 -0.161 22.190 -15.369 195 HD2 PRO 33 HD2 PRO 33 0.270 22.321 -17.976 196 HD3 PRO 33 HD1 PRO 33 -0.708 21.008 -17.270 197 H ALA 34 HN ALA 34 -1.379 24.918 -18.440 198 HA ALA 34 HA ALA 34 -3.049 27.185 -17.688 199 HB1 ALA 34 HB1 ALA 34 -0.613 27.367 -17.426 200 HB2 ALA 34 HB2 ALA 34 -1.262 28.578 -18.531 201 HB3 ALA 34 HB3 ALA 34 -0.430 27.160 -19.169 202 H THR 35 HN THR 35 -3.014 24.984 -20.184 203 HA THR 35 HA THR 35 -4.112 26.963 -22.084 204 HB THR 35 HB THR 35 -2.347 24.650 -22.922 205 HG1 THR 35 HG1 THR 35 -1.523 27.340 -22.562 206 HG21 THR 35 HG21 THR 35 -2.000 26.018 -24.927 207 HG22 THR 35 HG22 THR 35 -2.989 27.302 -24.239 208 HG23 THR 35 HG23 THR 35 -3.728 25.757 -24.673 209 H ARG 36 HN ARG 36 -5.118 24.630 -20.216 210 HA ARG 36 HA ARG 36 -6.155 22.841 -22.225 211 HB2 ARG 36 HB2 ARG 36 -6.554 21.289 -20.503 212 HB3 ARG 36 HB1 ARG 36 -5.133 22.122 -19.987 213 HG2 ARG 36 HG2 ARG 36 -7.909 22.532 -18.889 214 HG3 ARG 36 HG1 ARG 36 -6.550 21.760 -18.082 215 HD2 ARG 36 HD2 ARG 36 -5.366 23.880 -18.042 216 HD3 ARG 36 HD1 ARG 36 -6.681 24.638 -18.934 217 HE ARG 36 HE ARG 36 -6.741 23.695 -16.182 218 HH11 ARG 36 HH11 ARG 36 -8.402 25.415 -18.811 219 HH12 ARG 36 HH12 ARG 36 -9.404 26.322 -17.774 220 HH21 ARG 36 HH21 ARG 36 -8.134 24.900 -14.780 221 HH22 ARG 36 HH22 ARG 36 -9.245 26.025 -15.418 222 H VAL 37 HN VAL 37 -8.104 23.009 -23.105 223 HA VAL 37 HA VAL 37 -9.747 25.247 -22.228 224 HB VAL 37 HB VAL 37 -9.983 23.500 -24.683 225 HG11 VAL 37 HG11 VAL 37 -12.068 24.643 -24.150 226 HG12 VAL 37 HG12 VAL 37 -11.334 25.375 -25.582 227 HG13 VAL 37 HG13 VAL 37 -11.211 26.178 -24.020 228 HG21 VAL 37 HG21 VAL 37 -7.850 24.660 -24.685 229 HG22 VAL 37 HG22 VAL 37 -8.654 26.193 -24.358 230 HG23 VAL 37 HG23 VAL 37 -8.918 25.373 -25.896 231 H LEU 38 HN LEU 38 -11.666 24.994 -21.228 232 HA LEU 38 HA LEU 38 -12.425 22.535 -20.128 233 HB2 LEU 38 HB2 LEU 38 -12.962 24.701 -19.107 234 HB3 LEU 38 HB1 LEU 38 -13.991 25.103 -20.454 235 HG LEU 38 HG LEU 38 -15.151 24.507 -18.281 236 HD11 LEU 38 HD11 LEU 38 -15.895 22.841 -20.669 237 HD12 LEU 38 HD12 LEU 38 -16.417 24.496 -20.344 238 HD13 LEU 38 HD13 LEU 38 -16.926 23.182 -19.283 239 HD21 LEU 38 HD21 LEU 38 -14.284 21.736 -19.024 240 HD22 LEU 38 HD22 LEU 38 -15.422 22.161 -17.747 241 HD23 LEU 38 HD23 LEU 38 -13.733 22.663 -17.631 242 H LEU 39 HN LEU 39 -13.535 20.853 -20.915 243 HA LEU 39 HA LEU 39 -15.120 21.322 -23.312 244 HB2 LEU 39 HB2 LEU 39 -14.034 18.726 -22.231 245 HB3 LEU 39 HB1 LEU 39 -15.007 18.879 -23.676 246 HG LEU 39 HG LEU 39 -12.208 19.940 -23.265 247 HD11 LEU 39 HD11 LEU 39 -12.307 17.549 -23.616 248 HD12 LEU 39 HD12 LEU 39 -11.620 18.354 -25.023 249 HD13 LEU 39 HD13 LEU 39 -13.285 17.780 -25.063 250 HD21 LEU 39 HD21 LEU 39 -13.487 21.495 -24.650 251 HD22 LEU 39 HD22 LEU 39 -13.992 20.162 -25.694 252 HD23 LEU 39 HD23 LEU 39 -12.302 20.631 -25.625 253 H MET 40 HN MET 40 -15.306 19.216 -20.316 254 HA MET 40 HA MET 40 -17.962 19.966 -19.734 255 HB2 MET 40 HB2 MET 40 -19.138 17.937 -20.355 256 HB3 MET 40 HB1 MET 40 -18.570 18.803 -21.790 257 HG2 MET 40 HG2 MET 40 -16.801 17.212 -22.076 258 HG3 MET 40 HG1 MET 40 -17.217 16.450 -20.542 259 HE1 MET 40 HE1 MET 40 -20.431 16.414 -20.652 260 HE2 MET 40 HE2 MET 40 -19.401 15.097 -20.100 261 HE3 MET 40 HE3 MET 40 -20.656 14.788 -21.296 262 H TYR 41 HN TYR 41 -18.997 18.553 -18.264 263 HA TYR 41 HA TYR 41 -17.006 17.520 -16.366 264 HB2 TYR 41 HB2 TYR 41 -19.802 18.573 -15.953 265 HB3 TYR 41 HB1 TYR 41 -18.763 17.919 -14.683 266 HD1 TYR 41 HD2 TYR 41 -19.405 20.767 -16.914 267 HD2 TYR 41 HD1 TYR 41 -16.919 19.238 -13.825 268 HE1 TYR 41 HE2 TYR 41 -18.509 23.024 -16.526 269 HE2 TYR 41 HE1 TYR 41 -16.021 21.494 -13.429 270 HH TYR 41 HH TYR 41 -17.475 24.236 -14.627 271 H VAL 42 HN VAL 42 -17.190 15.450 -15.693 272 HA VAL 42 HA VAL 42 -19.601 13.926 -16.455 273 HB VAL 42 HB VAL 42 -16.781 12.834 -16.222 274 HG11 VAL 42 HG11 VAL 42 -18.494 11.179 -15.721 275 HG12 VAL 42 HG12 VAL 42 -17.701 10.807 -17.252 276 HG13 VAL 42 HG13 VAL 42 -19.304 11.537 -17.246 277 HG21 VAL 42 HG21 VAL 42 -16.885 12.572 -18.697 278 HG22 VAL 42 HG22 VAL 42 -16.850 14.244 -18.146 279 HG23 VAL 42 HG23 VAL 42 -18.367 13.537 -18.686 280 H ARG 43 HN ARG 43 -20.686 13.406 -14.654 281 HA ARG 43 HA ARG 43 -19.587 13.712 -12.105 282 HB2 ARG 43 HB2 ARG 43 -21.843 14.257 -12.487 283 HB3 ARG 43 HB1 ARG 43 -22.187 12.656 -13.107 284 HG2 ARG 43 HG2 ARG 43 -22.139 11.696 -10.981 285 HG3 ARG 43 HG1 ARG 43 -21.314 13.105 -10.289 286 HD2 ARG 43 HD2 ARG 43 -23.729 13.026 -9.727 287 HD3 ARG 43 HD1 ARG 43 -23.147 14.444 -10.630 288 HE ARG 43 HE ARG 43 -24.078 12.603 -12.495 289 HH11 ARG 43 HH11 ARG 43 -25.471 14.646 -9.973 290 HH12 ARG 43 HH12 ARG 43 -26.990 14.772 -10.744 291 HH21 ARG 43 HH21 ARG 43 -26.120 12.852 -13.567 292 HH22 ARG 43 HH22 ARG 43 -27.356 13.759 -12.818 293 H ILE 44 HN ILE 44 -19.156 12.368 -10.603 294 HA ILE 44 HA ILE 44 -17.846 9.938 -11.204 295 HB ILE 44 HB ILE 44 -18.810 10.937 -8.504 296 HG12 ILE 44 HG12 ILE 44 -17.218 12.354 -9.714 297 HG13 ILE 44 HG11 ILE 44 -16.549 11.764 -8.187 298 HG21 ILE 44 HG21 ILE 44 -16.836 8.722 -9.094 299 HG22 ILE 44 HG22 ILE 44 -18.449 8.519 -8.414 300 HG23 ILE 44 HG23 ILE 44 -17.208 9.369 -7.495 301 HD11 ILE 44 HD11 ILE 44 -15.932 10.804 -10.981 302 HD12 ILE 44 HD12 ILE 44 -15.297 10.072 -9.511 303 HD13 ILE 44 HD13 ILE 44 -14.876 11.734 -9.922 304 H GLY 45 HN GLY 45 -18.564 8.068 -11.566 305 HA2 GLY 45 HA2 GLY 45 -19.782 6.109 -11.036 306 HA3 GLY 45 HA1 GLY 45 -21.026 7.115 -10.309 307 H THR 46 HN THR 46 -20.463 8.738 -13.023 308 HA THR 46 HA THR 46 -22.344 7.093 -14.563 309 HB THR 46 HB THR 46 -23.275 9.256 -15.455 310 HG1 THR 46 HG1 THR 46 -21.308 10.307 -13.946 311 HG21 THR 46 HG21 THR 46 -24.501 7.987 -13.763 312 HG22 THR 46 HG22 THR 46 -24.702 9.717 -13.500 313 HG23 THR 46 HG23 THR 46 -23.594 8.794 -12.485 314 H THR 47 HN THR 47 -22.308 7.348 -16.803 315 HA THR 47 HA THR 47 -19.644 7.992 -17.736 316 HB THR 47 HB THR 47 -20.163 6.789 -19.718 317 HG1 THR 47 HG1 THR 47 -22.080 6.532 -20.291 318 HG21 THR 47 HG21 THR 47 -20.843 5.265 -17.224 319 HG22 THR 47 HG22 THR 47 -19.255 5.466 -17.971 320 HG23 THR 47 HG23 THR 47 -20.502 4.505 -18.774 321 H ALA 48 HN ALA 48 -19.413 9.126 -19.602 322 HA ALA 48 HA ALA 48 -21.698 10.607 -20.611 323 HB1 ALA 48 HB1 ALA 48 -19.230 11.978 -19.593 324 HB2 ALA 48 HB2 ALA 48 -20.830 12.050 -18.844 325 HB3 ALA 48 HB3 ALA 48 -20.565 12.763 -20.436 326 H THR 49 HN THR 49 -21.377 11.413 -22.640 327 HA THR 49 HA THR 49 -19.282 10.057 -24.110 328 HB THR 49 HB THR 49 -21.557 11.735 -25.179 329 HG1 THR 49 HG1 THR 49 -21.551 8.928 -24.495 330 HG21 THR 49 HG21 THR 49 -19.963 9.443 -26.355 331 HG22 THR 49 HG22 THR 49 -19.777 11.147 -26.771 332 HG23 THR 49 HG23 THR 49 -21.274 10.302 -27.165 333 H ILE 50 HN ILE 50 -17.424 11.234 -24.263 334 HA ILE 50 HA ILE 50 -17.528 14.168 -24.342 335 HB ILE 50 HB ILE 50 -15.114 12.462 -24.789 336 HG12 ILE 50 HG12 ILE 50 -16.115 11.668 -22.669 337 HG13 ILE 50 HG11 ILE 50 -14.561 12.461 -22.400 338 HG21 ILE 50 HG21 ILE 50 -14.828 14.798 -25.263 339 HG22 ILE 50 HG22 ILE 50 -13.882 14.387 -23.832 340 HG23 ILE 50 HG23 ILE 50 -15.416 15.237 -23.657 341 HD11 ILE 50 HD11 ILE 50 -15.762 14.466 -21.659 342 HD12 ILE 50 HD12 ILE 50 -16.165 13.049 -20.688 343 HD13 ILE 50 HD13 ILE 50 -17.294 13.631 -21.911 344 H THR 51 HN THR 51 -17.212 15.140 -26.295 345 HA THR 51 HA THR 51 -16.638 13.417 -28.631 346 HB THR 51 HB THR 51 -18.525 15.779 -28.680 347 HG1 THR 51 HG1 THR 51 -18.949 13.712 -27.318 348 HG21 THR 51 HG21 THR 51 -18.193 13.369 -30.489 349 HG22 THR 51 HG22 THR 51 -17.602 14.989 -30.843 350 HG23 THR 51 HG23 THR 51 -19.336 14.690 -30.734 351 H ALA 52 HN ALA 52 -14.662 14.060 -29.267 352 HA ALA 52 HA ALA 52 -14.127 16.910 -29.622 353 HB1 ALA 52 HB1 ALA 52 -11.899 16.707 -28.631 354 HB2 ALA 52 HB2 ALA 52 -12.233 15.028 -28.210 355 HB3 ALA 52 HB3 ALA 52 -13.151 16.329 -27.447 356 H ARG 53 HN ARG 53 -13.172 17.326 -31.471 357 HA ARG 53 HA ARG 53 -12.315 17.164 -33.538 358 HB2 ARG 53 HB2 ARG 53 -10.787 14.780 -32.472 359 HB3 ARG 53 HB1 ARG 53 -10.426 15.652 -33.965 360 HG2 ARG 53 HG2 ARG 53 -10.039 17.677 -32.558 361 HG3 ARG 53 HG1 ARG 53 -10.197 16.613 -31.145 362 HD2 ARG 53 HD2 ARG 53 -8.169 16.412 -33.373 363 HD3 ARG 53 HD1 ARG 53 -7.863 16.921 -31.702 364 HE ARG 53 HE ARG 53 -8.959 14.418 -31.539 365 HH11 ARG 53 HH11 ARG 53 -6.059 15.770 -33.062 366 HH12 ARG 53 HH12 ARG 53 -5.148 14.345 -32.941 367 HH21 ARG 53 HH21 ARG 53 -7.735 12.447 -31.384 368 HH22 ARG 53 HH22 ARG 53 -6.130 12.391 -31.948 369 H GLY 54 HN GLY 54 -14.655 15.725 -32.810 370 HA2 GLY 54 HA2 GLY 54 -16.261 14.617 -34.098 371 HA3 GLY 54 HA1 GLY 54 -14.987 14.197 -35.251 372 H HIS 55 HN HIS 55 -14.054 13.409 -32.085 373 HA HIS 55 HA HIS 55 -14.911 10.643 -32.523 374 HB2 HIS 55 HB2 HIS 55 -12.499 11.693 -31.015 375 HB3 HIS 55 HB1 HIS 55 -12.948 9.992 -31.158 376 HD1 HIS 55 HD1 HIS 55 -12.172 8.782 -33.311 377 HD2 HIS 55 HD2 HIS 55 -11.477 12.877 -33.352 378 HE1 HIS 55 HE1 HIS 55 -10.714 9.226 -35.306 379 H GLU 56 HN GLU 56 -16.168 9.763 -31.025 380 HA GLU 56 HA GLU 56 -16.639 11.308 -28.627 381 HB2 GLU 56 HB2 GLU 56 -18.786 9.658 -28.706 382 HB3 GLU 56 HB1 GLU 56 -18.747 11.280 -29.405 383 HG2 GLU 56 HG2 GLU 56 -19.733 9.750 -30.982 384 HG3 GLU 56 HG1 GLU 56 -18.151 10.329 -31.524 385 H PHE 57 HN PHE 57 -16.192 10.530 -26.766 386 HA PHE 57 HA PHE 57 -15.283 7.758 -26.532 387 HB2 PHE 57 HB2 PHE 57 -14.496 10.155 -24.873 388 HB3 PHE 57 HB1 PHE 57 -13.732 8.561 -24.916 389 HD1 PHE 57 HD2 PHE 57 -12.500 7.897 -27.068 390 HD2 PHE 57 HD1 PHE 57 -13.785 11.878 -26.257 391 HE1 PHE 57 HE2 PHE 57 -10.952 8.751 -28.770 392 HE2 PHE 57 HE1 PHE 57 -12.248 12.726 -27.957 393 HZ PHE 57 HZ PHE 57 -10.837 11.178 -29.222 394 H GLU 58 HN GLU 58 -16.902 6.651 -25.487 395 HA GLU 58 HA GLU 58 -18.592 8.001 -23.558 396 HB2 GLU 58 HB2 GLU 58 -19.380 6.160 -25.070 397 HB3 GLU 58 HB1 GLU 58 -18.310 5.046 -24.207 398 HG2 GLU 58 HG2 GLU 58 -20.554 4.745 -23.414 399 HG3 GLU 58 HG1 GLU 58 -19.622 5.537 -22.144 400 H VAL 59 HN VAL 59 -17.603 8.467 -21.732 401 HA VAL 59 HA VAL 59 -15.512 6.643 -20.775 402 HB VAL 59 HB VAL 59 -14.404 8.516 -19.717 403 HG11 VAL 59 HG11 VAL 59 -15.079 9.119 -22.579 404 HG12 VAL 59 HG12 VAL 59 -13.779 8.080 -21.990 405 HG13 VAL 59 HG13 VAL 59 -13.731 9.817 -21.687 406 HG21 VAL 59 HG21 VAL 59 -15.154 10.848 -20.021 407 HG22 VAL 59 HG22 VAL 59 -16.336 9.895 -19.121 408 HG23 VAL 59 HG23 VAL 59 -16.614 10.263 -20.821 409 H GLU 60 HN GLU 60 -15.449 6.235 -18.583 410 HA GLU 60 HA GLU 60 -17.927 6.953 -17.180 411 HB2 GLU 60 HB2 GLU 60 -17.576 4.483 -17.537 412 HB3 GLU 60 HB1 GLU 60 -16.088 4.626 -16.599 413 HG2 GLU 60 HG2 GLU 60 -17.329 5.293 -14.635 414 HG3 GLU 60 HG1 GLU 60 -18.835 5.282 -15.546 415 H ALA 61 HN ALA 61 -17.683 8.340 -15.561 416 HA ALA 61 HA ALA 61 -15.009 8.820 -14.550 417 HB1 ALA 61 HB1 ALA 61 -16.576 10.719 -14.704 418 HB2 ALA 61 HB2 ALA 61 -16.062 10.463 -13.042 419 HB3 ALA 61 HB3 ALA 61 -17.661 9.922 -13.564 420 H LYS 62 HN LYS 62 -14.545 6.811 -13.904 421 HA LYS 62 HA LYS 62 -16.154 5.144 -12.258 422 HB2 LYS 62 HB2 LYS 62 -13.172 4.926 -12.572 423 HB3 LYS 62 HB1 LYS 62 -14.333 3.650 -12.243 424 HG2 LYS 62 HG2 LYS 62 -15.292 4.016 -14.457 425 HG3 LYS 62 HG1 LYS 62 -14.015 5.186 -14.807 426 HD2 LYS 62 HD2 LYS 62 -13.295 3.130 -15.780 427 HD3 LYS 62 HD1 LYS 62 -12.340 3.356 -14.318 428 HE2 LYS 62 HE2 LYS 62 -13.010 1.068 -14.386 429 HE3 LYS 62 HE1 LYS 62 -13.968 1.842 -13.133 430 HZ1 LYS 62 HZ1 LYS 62 -14.885 1.260 -15.896 431 HZ2 LYS 62 HZ2 LYS 62 -15.844 1.976 -14.705 432 HZ3 LYS 62 HZ3 LYS 62 -15.304 0.395 -14.530 433 H ASP 63 HN ASP 63 -13.155 6.822 -11.653 434 HA ASP 63 HA ASP 63 -13.789 6.775 -8.789 435 HB2 ASP 63 HB2 ASP 63 -12.051 5.088 -9.321 436 HB3 ASP 63 HB1 ASP 63 -11.056 6.358 -10.015 437 H GLN 64 HN GLN 64 -12.844 8.452 -7.561 438 HA GLN 64 HA GLN 64 -13.051 11.006 -8.776 439 HB2 GLN 64 HB2 GLN 64 -12.183 10.174 -6.022 440 HB3 GLN 64 HB1 GLN 64 -12.549 11.826 -6.503 441 HG2 GLN 64 HG2 GLN 64 -14.811 11.304 -6.913 442 HG3 GLN 64 HG1 GLN 64 -14.519 9.577 -6.763 443 HE21 GLN 64 HE21 GLN 64 -15.959 9.259 -5.165 444 HE22 GLN 64 HE22 GLN 64 -15.770 9.858 -3.570 445 H ASN 65 HN ASN 65 -10.526 8.931 -8.850 446 HA ASN 65 HA ASN 65 -8.285 10.720 -8.678 447 HB2 ASN 65 HB2 ASN 65 -8.289 8.152 -8.648 448 HB3 ASN 65 HB1 ASN 65 -8.548 8.243 -10.394 449 HD21 ASN 65 HD21 ASN 65 -6.412 6.998 -9.049 450 HD22 ASN 65 HD22 ASN 65 -4.946 7.765 -9.529 451 H CYS 66 HN CYS 66 -10.755 9.881 -10.933 452 HA CYS 66 HA CYS 66 -11.395 10.493 -12.903 453 HB2 CYS 66 HB2 CYS 66 -9.912 13.030 -12.253 454 HB3 CYS 66 HB1 CYS 66 -11.062 12.843 -13.589 455 H LYS 67 HN LYS 67 -9.937 8.747 -13.500 456 HA LYS 67 HA LYS 67 -8.048 9.682 -15.532 457 HB2 LYS 67 HB2 LYS 67 -8.374 7.196 -14.045 458 HB3 LYS 67 HB1 LYS 67 -7.847 7.056 -15.740 459 HG2 LYS 67 HG2 LYS 67 -6.047 6.918 -14.009 460 HG3 LYS 67 HG1 LYS 67 -5.814 8.173 -15.221 461 HD2 LYS 67 HD2 LYS 67 -7.369 9.015 -13.054 462 HD3 LYS 67 HD1 LYS 67 -5.730 8.541 -12.467 463 HE2 LYS 67 HE2 LYS 67 -4.890 10.057 -14.281 464 HE3 LYS 67 HE1 LYS 67 -6.607 10.383 -14.609 465 HZ1 LYS 67 HZ1 LYS 67 -6.801 11.398 -12.399 466 HZ2 LYS 67 HZ2 LYS 67 -5.532 12.143 -13.191 467 HZ3 LYS 67 HZ3 LYS 67 -5.227 10.960 -12.036 468 H VAL 68 HN VAL 68 -8.370 9.196 -17.507 469 HA VAL 68 HA VAL 68 -11.189 8.853 -18.019 470 HB VAL 68 HB VAL 68 -10.304 10.821 -19.023 471 HG11 VAL 68 HG11 VAL 68 -8.004 10.237 -19.335 472 HG12 VAL 68 HG12 VAL 68 -8.680 10.807 -20.860 473 HG13 VAL 68 HG13 VAL 68 -8.428 9.080 -20.596 474 HG21 VAL 68 HG21 VAL 68 -12.129 9.741 -20.182 475 HG22 VAL 68 HG22 VAL 68 -10.990 8.785 -21.123 476 HG23 VAL 68 HG23 VAL 68 -11.062 10.532 -21.341 477 H ILE 69 HN ILE 69 -11.630 6.836 -17.816 478 HA ILE 69 HA ILE 69 -10.554 5.030 -19.844 479 HB ILE 69 HB ILE 69 -11.758 4.337 -17.138 480 HG12 ILE 69 HG12 ILE 69 -9.589 2.973 -16.987 481 HG13 ILE 69 HG11 ILE 69 -9.043 3.917 -18.357 482 HG21 ILE 69 HG21 ILE 69 -12.668 2.777 -18.752 483 HG22 ILE 69 HG22 ILE 69 -11.497 1.967 -17.710 484 HG23 ILE 69 HG23 ILE 69 -11.047 2.422 -19.351 485 HD11 ILE 69 HD11 ILE 69 -9.289 5.954 -17.050 486 HD12 ILE 69 HD12 ILE 69 -8.185 4.811 -16.289 487 HD13 ILE 69 HD13 ILE 69 -9.824 5.002 -15.667 488 H LEU 70 HN LEU 70 -11.844 4.503 -21.393 489 HA LEU 70 HA LEU 70 -14.625 5.219 -21.361 490 HB2 LEU 70 HB2 LEU 70 -12.862 3.901 -23.302 491 HB3 LEU 70 HB1 LEU 70 -14.582 3.984 -23.601 492 HG LEU 70 HG LEU 70 -14.311 6.513 -23.607 493 HD11 LEU 70 HD11 LEU 70 -12.167 6.662 -22.435 494 HD12 LEU 70 HD12 LEU 70 -12.093 7.411 -24.032 495 HD13 LEU 70 HD13 LEU 70 -11.383 5.820 -23.772 496 HD21 LEU 70 HD21 LEU 70 -14.559 5.203 -25.632 497 HD22 LEU 70 HD22 LEU 70 -12.816 4.932 -25.686 498 HD23 LEU 70 HD23 LEU 70 -13.465 6.561 -25.882 499 H THR 71 HN THR 71 -16.194 3.764 -21.852 500 HA THR 71 HA THR 71 -16.097 1.524 -20.089 501 HB THR 71 HB THR 71 -18.518 1.236 -20.916 502 HG1 THR 71 HG1 THR 71 -19.144 3.422 -21.816 503 HG21 THR 71 HG21 THR 71 -17.876 2.380 -18.820 504 HG22 THR 71 HG22 THR 71 -19.260 3.143 -19.612 505 HG23 THR 71 HG23 THR 71 -17.658 3.872 -19.748 506 H ASN 72 HN ASN 72 -15.075 1.865 -23.093 507 HA ASN 72 HA ASN 72 -15.667 -0.854 -23.970 508 HB2 ASN 72 HB2 ASN 72 -14.175 1.399 -25.340 509 HB3 ASN 72 HB1 ASN 72 -14.311 -0.235 -26.005 510 HD21 ASN 72 HD21 ASN 72 -15.916 2.809 -25.467 511 HD22 ASN 72 HD22 ASN 72 -17.344 2.401 -26.326 512 H GLY 73 HN GLY 73 -13.494 0.673 -21.969 513 HA2 GLY 73 HA2 GLY 73 -11.754 -0.338 -20.840 514 HA3 GLY 73 HA1 GLY 73 -11.660 -1.568 -22.112 515 H LYS 74 HN LYS 74 -11.877 1.767 -22.949 516 HA LYS 74 HA LYS 74 -9.151 1.593 -23.985 517 HB2 LYS 74 HB2 LYS 74 -11.463 3.254 -24.985 518 HB3 LYS 74 HB1 LYS 74 -9.883 3.097 -25.727 519 HG2 LYS 74 HG2 LYS 74 -11.913 0.880 -25.445 520 HG3 LYS 74 HG1 LYS 74 -11.631 1.822 -26.905 521 HD2 LYS 74 HD2 LYS 74 -9.362 0.954 -27.048 522 HD3 LYS 74 HD1 LYS 74 -9.589 0.077 -25.533 523 HE2 LYS 74 HE2 LYS 74 -9.848 -1.422 -27.454 524 HE3 LYS 74 HE1 LYS 74 -11.353 -1.257 -26.559 525 HZ1 LYS 74 HZ1 LYS 74 -10.719 0.184 -29.093 526 HZ2 LYS 74 HZ2 LYS 74 -12.189 0.244 -28.250 527 HZ3 LYS 74 HZ3 LYS 74 -11.686 -1.178 -28.936 528 H GLN 75 HN GLN 75 -7.799 3.333 -23.535 529 HA GLN 75 HA GLN 75 -8.905 5.303 -21.722 530 HB2 GLN 75 HB2 GLN 75 -6.795 4.060 -21.070 531 HB3 GLN 75 HB1 GLN 75 -5.993 4.823 -22.440 532 HG2 GLN 75 HG2 GLN 75 -6.486 7.025 -21.486 533 HG3 GLN 75 HG1 GLN 75 -7.278 6.204 -20.141 534 HE21 GLN 75 HE21 GLN 75 -5.996 5.248 -18.552 535 HE22 GLN 75 HE22 GLN 75 -4.307 5.565 -18.427 536 H ALA 76 HN ALA 76 -8.870 7.452 -22.276 537 HA ALA 76 HA ALA 76 -8.871 7.980 -25.075 538 HB1 ALA 76 HB1 ALA 76 -10.633 8.781 -23.552 539 HB2 ALA 76 HB2 ALA 76 -9.847 10.108 -24.392 540 HB3 ALA 76 HB3 ALA 76 -9.439 9.761 -22.711 541 HA PRO 77 HA PRO 77 -4.971 10.059 -25.775 542 HB2 PRO 77 HB2 PRO 77 -6.461 12.611 -26.026 543 HB3 PRO 77 HB1 PRO 77 -5.301 11.860 -27.152 544 HG2 PRO 77 HG2 PRO 77 -7.843 11.816 -27.722 545 HG3 PRO 77 HG1 PRO 77 -6.837 10.368 -27.974 546 HD2 PRO 77 HD2 PRO 77 -8.788 10.911 -25.767 547 HD3 PRO 77 HD1 PRO 77 -8.459 9.410 -26.651 548 H ASP 78 HN ASP 78 -3.437 11.278 -24.855 549 HA ASP 78 HA ASP 78 -3.611 11.736 -22.078 550 HB2 ASP 78 HB2 ASP 78 -1.588 11.019 -23.313 551 HB3 ASP 78 HB1 ASP 78 -1.502 12.607 -24.052 552 H TRP 79 HN TRP 79 -3.940 13.762 -24.898 553 HA TRP 79 HA TRP 79 -3.710 16.210 -23.482 554 HB2 TRP 79 HB2 TRP 79 -4.533 17.271 -25.600 555 HB3 TRP 79 HB1 TRP 79 -3.154 16.195 -25.827 556 HD1 TRP 79 HD1 TRP 79 -3.428 14.317 -27.489 557 HE1 TRP 79 HE1 TRP 79 -5.302 13.528 -29.084 558 HE3 TRP 79 HE3 TRP 79 -7.267 17.124 -25.648 559 HZ2 TRP 79 HZ2 TRP 79 -8.047 14.041 -29.478 560 HZ3 TRP 79 HZ3 TRP 79 -9.491 16.915 -26.682 561 HH2 TRP 79 HH2 TRP 79 -9.869 15.402 -28.555 562 H LEU 80 HN LEU 80 -6.195 13.930 -23.735 563 HA LEU 80 HA LEU 80 -8.263 15.860 -23.150 564 HB2 LEU 80 HB2 LEU 80 -8.756 13.798 -24.556 565 HB3 LEU 80 HB1 LEU 80 -8.351 12.834 -23.147 566 HG LEU 80 HG LEU 80 -10.212 13.727 -21.914 567 HD11 LEU 80 HD11 LEU 80 -11.904 15.133 -23.006 568 HD12 LEU 80 HD12 LEU 80 -10.852 15.288 -24.414 569 HD13 LEU 80 HD13 LEU 80 -10.353 15.951 -22.856 570 HD21 LEU 80 HD21 LEU 80 -12.045 12.731 -23.213 571 HD22 LEU 80 HD22 LEU 80 -10.591 11.736 -23.231 572 HD23 LEU 80 HD23 LEU 80 -11.006 12.718 -24.638 573 H ALA 81 HN ALA 81 -8.064 16.645 -21.214 574 HA ALA 81 HA ALA 81 -6.769 14.990 -19.156 575 HB1 ALA 81 HB1 ALA 81 -5.585 17.048 -19.740 576 HB2 ALA 81 HB2 ALA 81 -6.123 17.055 -18.060 577 HB3 ALA 81 HB3 ALA 81 -7.000 17.991 -19.271 578 H ALA 82 HN ALA 82 -7.748 14.488 -17.353 579 HA ALA 82 HA ALA 82 -10.306 15.787 -16.773 580 HB1 ALA 82 HB1 ALA 82 -10.589 13.440 -17.463 581 HB2 ALA 82 HB2 ALA 82 -11.068 13.701 -15.787 582 HB3 ALA 82 HB3 ALA 82 -9.521 12.937 -16.150 583 H GLU 83 HN GLU 83 -10.581 16.594 -14.802 584 HA GLU 83 HA GLU 83 -8.576 16.046 -12.744 585 HB2 GLU 83 HB2 GLU 83 -9.885 18.713 -13.308 586 HB3 GLU 83 HB1 GLU 83 -8.854 18.368 -11.937 587 HG2 GLU 83 HG2 GLU 83 -7.030 17.880 -13.563 588 HG3 GLU 83 HG1 GLU 83 -8.067 18.515 -14.833 589 HA PRO 84 HA PRO 84 -12.153 15.024 -10.265 590 HB2 PRO 84 HB2 PRO 84 -10.951 15.473 -7.825 591 HB3 PRO 84 HB1 PRO 84 -10.671 14.003 -8.782 592 HG2 PRO 84 HG2 PRO 84 -9.031 16.469 -8.585 593 HG3 PRO 84 HG1 PRO 84 -8.521 14.766 -8.543 594 HD2 PRO 84 HD2 PRO 84 -8.245 16.126 -10.774 595 HD3 PRO 84 HD1 PRO 84 -8.880 14.454 -10.766 596 H TYR 85 HN TYR 85 -13.839 16.333 -9.859 597 HA TYR 85 HA TYR 85 -13.204 19.086 -9.357 598 HB2 TYR 85 HB2 TYR 85 -14.584 18.419 -11.376 599 HB3 TYR 85 HB1 TYR 85 -15.875 18.037 -10.228 600 HD1 TYR 85 HD1 TYR 85 -13.479 20.878 -10.528 601 HD2 TYR 85 HD2 TYR 85 -17.545 19.652 -10.365 602 HE1 TYR 85 HE1 TYR 85 -14.172 23.215 -10.651 603 HE2 TYR 85 HE2 TYR 85 -18.259 22.005 -10.482 604 HH TYR 85 HH TYR 85 -16.156 24.398 -11.450 Start of MODEL 18 1 H SER 7 HT1 SER 7 -8.279 2.103 30.084 2 HA SER 7 HA SER 7 -6.975 1.747 28.147 3 HB2 SER 7 HB2 SER 7 -4.781 1.524 29.298 4 HB3 SER 7 HB1 SER 7 -5.305 -0.020 29.986 5 HG SER 7 HG SER 7 -4.651 0.660 27.338 6 H GLY 8 HN GLY 8 -7.286 -0.300 26.891 7 HA2 GLY 8 HA2 GLY 8 -8.164 -2.676 27.705 8 HA3 GLY 8 HA1 GLY 8 -9.602 -1.668 27.869 9 H ARG 9 HN ARG 9 -9.651 -3.724 26.108 10 HA ARG 9 HA ARG 9 -8.986 -2.640 23.517 11 HB2 ARG 9 HB2 ARG 9 -9.912 -5.406 24.308 12 HB3 ARG 9 HB1 ARG 9 -9.664 -4.898 22.645 13 HG2 ARG 9 HG2 ARG 9 -7.306 -4.451 23.140 14 HG3 ARG 9 HG1 ARG 9 -7.563 -4.987 24.800 15 HD2 ARG 9 HD2 ARG 9 -8.178 -7.204 23.988 16 HD3 ARG 9 HD1 ARG 9 -7.966 -6.660 22.329 17 HE ARG 9 HE ARG 9 -5.585 -6.115 23.511 18 HH11 ARG 9 HH11 ARG 9 -7.522 -9.047 23.165 19 HH12 ARG 9 HH12 ARG 9 -6.208 -10.115 23.102 20 HH21 ARG 9 HH21 ARG 9 -3.737 -7.574 23.448 21 HH22 ARG 9 HH22 ARG 9 -3.984 -9.253 23.270 22 H GLU 10 HN GLU 10 -10.391 -1.104 23.582 23 HA GLU 10 HA GLU 10 -13.226 -1.629 23.547 24 HB2 GLU 10 HB2 GLU 10 -12.385 0.346 24.685 25 HB3 GLU 10 HB1 GLU 10 -11.625 0.907 23.205 26 HG2 GLU 10 HG2 GLU 10 -13.818 1.161 22.186 27 HG3 GLU 10 HG1 GLU 10 -14.571 0.596 23.679 28 H ASN 11 HN ASN 11 -14.401 -1.749 21.732 29 HA ASN 11 HA ASN 11 -13.064 -1.198 19.198 30 HB2 ASN 11 HB2 ASN 11 -12.887 -3.641 19.740 31 HB3 ASN 11 HB1 ASN 11 -14.637 -3.721 19.681 32 HD21 ASN 11 HD21 ASN 11 -12.594 -5.041 18.050 33 HD22 ASN 11 HD22 ASN 11 -12.974 -4.657 16.413 34 H LEU 12 HN LEU 12 -14.311 0.605 18.965 35 HA LEU 12 HA LEU 12 -17.103 0.092 18.304 36 HB2 LEU 12 HB2 LEU 12 -15.522 2.664 18.543 37 HB3 LEU 12 HB1 LEU 12 -17.071 2.616 17.736 38 HG LEU 12 HG LEU 12 -18.106 1.858 19.877 39 HD11 LEU 12 HD11 LEU 12 -15.426 2.498 21.067 40 HD12 LEU 12 HD12 LEU 12 -16.161 0.898 20.953 41 HD13 LEU 12 HD13 LEU 12 -16.902 2.144 21.956 42 HD21 LEU 12 HD21 LEU 12 -18.033 4.048 20.947 43 HD22 LEU 12 HD22 LEU 12 -18.206 4.170 19.198 44 HD23 LEU 12 HD23 LEU 12 -16.644 4.489 19.954 45 H TYR 13 HN TYR 13 -17.736 -0.048 16.220 46 HA TYR 13 HA TYR 13 -15.561 -0.190 14.317 47 HB2 TYR 13 HB2 TYR 13 -17.490 -1.907 14.551 48 HB3 TYR 13 HB1 TYR 13 -18.461 -0.711 13.694 49 HD1 TYR 13 HD1 TYR 13 -15.415 -2.761 13.469 50 HD2 TYR 13 HD2 TYR 13 -18.339 -0.546 11.321 51 HE1 TYR 13 HE1 TYR 13 -14.530 -3.653 11.385 52 HE2 TYR 13 HE2 TYR 13 -17.451 -1.442 9.200 53 HH TYR 13 HH TYR 13 -15.324 -2.393 8.360 54 H PHE 14 HN PHE 14 -14.979 1.671 13.587 55 HA PHE 14 HA PHE 14 -16.671 3.949 13.458 56 HB2 PHE 14 HB2 PHE 14 -13.900 3.524 12.322 57 HB3 PHE 14 HB1 PHE 14 -14.716 5.075 12.474 58 HD1 PHE 14 HD1 PHE 14 -15.051 6.083 14.688 59 HD2 PHE 14 HD2 PHE 14 -12.921 2.433 14.224 60 HE1 PHE 14 HE1 PHE 14 -14.140 6.329 16.958 61 HE2 PHE 14 HE2 PHE 14 -12.009 2.675 16.494 62 HZ PHE 14 HZ PHE 14 -12.617 4.621 17.862 63 H GLN 15 HN GLN 15 -17.313 5.118 11.569 64 HA GLN 15 HA GLN 15 -17.712 3.353 9.347 65 HB2 GLN 15 HB2 GLN 15 -19.441 5.006 8.612 66 HB3 GLN 15 HB1 GLN 15 -19.813 4.137 10.091 67 HG2 GLN 15 HG2 GLN 15 -19.243 6.065 11.402 68 HG3 GLN 15 HG1 GLN 15 -18.671 6.872 9.932 69 HE21 GLN 15 HE21 GLN 15 -20.175 7.777 8.540 70 HE22 GLN 15 HE22 GLN 15 -21.858 7.899 8.900 71 H GLY 16 HN GLY 16 -15.754 3.500 8.623 72 HA2 GLY 16 HA2 GLY 16 -14.601 5.910 7.533 73 HA3 GLY 16 HA1 GLY 16 -14.061 4.271 7.188 74 H HIS 17 HN HIS 17 -16.757 6.415 6.539 75 HA HIS 17 HA HIS 17 -17.305 5.073 4.006 76 HB2 HIS 17 HB2 HIS 17 -19.202 5.423 5.485 77 HB3 HIS 17 HB1 HIS 17 -18.826 7.129 5.636 78 HD1 HIS 17 HD1 HIS 17 -19.862 8.676 3.911 79 HD2 HIS 17 HD2 HIS 17 -20.280 4.655 2.955 80 HE1 HIS 17 HE1 HIS 17 -21.473 8.579 1.965 81 H MET 18 HN MET 18 -17.065 6.134 2.040 82 HA MET 18 HA MET 18 -15.677 8.701 2.201 83 HB2 MET 18 HB2 MET 18 -14.828 6.565 0.868 84 HB3 MET 18 HB1 MET 18 -16.002 7.140 -0.316 85 HG2 MET 18 HG2 MET 18 -13.796 7.965 -0.821 86 HG3 MET 18 HG1 MET 18 -14.893 9.289 -0.413 87 HE1 MET 18 HE1 MET 18 -11.395 10.466 0.982 88 HE2 MET 18 HE2 MET 18 -12.737 10.883 -0.084 89 HE3 MET 18 HE3 MET 18 -11.689 9.525 -0.480 90 H ALA 19 HN ALA 19 -17.000 10.386 1.948 91 HA ALA 19 HA ALA 19 -19.578 9.937 0.780 92 HB1 ALA 19 HB1 ALA 19 -20.231 12.088 1.709 93 HB2 ALA 19 HB2 ALA 19 -18.557 12.425 2.115 94 HB3 ALA 19 HB3 ALA 19 -19.416 11.118 2.939 95 H ALA 20 HN ALA 20 -17.007 10.335 -0.506 96 HA ALA 20 HA ALA 20 -16.066 11.048 -2.422 97 HB1 ALA 20 HB1 ALA 20 -18.071 10.043 -3.395 98 HB2 ALA 20 HB2 ALA 20 -17.485 11.397 -4.364 99 HB3 ALA 20 HB3 ALA 20 -18.890 11.601 -3.318 100 HA PRO 21 HA PRO 21 -15.835 15.533 -1.450 101 HB2 PRO 21 HB2 PRO 21 -13.102 14.959 -2.501 102 HB3 PRO 21 HB1 PRO 21 -13.569 15.840 -1.026 103 HG2 PRO 21 HG2 PRO 21 -12.535 13.427 -0.827 104 HG3 PRO 21 HG1 PRO 21 -13.879 13.937 0.218 105 HD2 PRO 21 HD2 PRO 21 -13.956 12.154 -2.178 106 HD3 PRO 21 HD1 PRO 21 -14.828 12.029 -0.637 107 H ALA 22 HN ALA 22 -14.104 13.916 -4.134 108 HA ALA 22 HA ALA 22 -14.837 15.937 -6.010 109 HB1 ALA 22 HB1 ALA 22 -13.868 14.423 -7.687 110 HB2 ALA 22 HB2 ALA 22 -13.775 13.142 -6.478 111 HB3 ALA 22 HB3 ALA 22 -12.787 14.594 -6.304 112 H ARG 23 HN ARG 23 -16.754 16.151 -6.777 113 HA ARG 23 HA ARG 23 -18.682 13.961 -6.574 114 HB2 ARG 23 HB2 ARG 23 -18.994 16.912 -7.118 115 HB3 ARG 23 HB1 ARG 23 -20.334 15.773 -7.106 116 HG2 ARG 23 HG2 ARG 23 -20.114 15.352 -4.815 117 HG3 ARG 23 HG1 ARG 23 -18.506 16.068 -4.749 118 HD2 ARG 23 HD2 ARG 23 -20.262 17.478 -3.749 119 HD3 ARG 23 HD1 ARG 23 -19.424 18.277 -5.054 120 HE ARG 23 HE ARG 23 -22.099 17.076 -5.248 121 HH11 ARG 23 HH11 ARG 23 -19.720 19.468 -6.352 122 HH12 ARG 23 HH12 ARG 23 -20.849 20.459 -7.139 123 HH21 ARG 23 HH21 ARG 23 -23.679 18.479 -6.346 124 HH22 ARG 23 HH22 ARG 23 -23.142 19.873 -7.155 125 H PHE 24 HN PHE 24 -17.218 16.148 -8.866 126 HA PHE 24 HA PHE 24 -17.829 14.218 -10.887 127 HB2 PHE 24 HB2 PHE 24 -18.156 16.200 -12.481 128 HB3 PHE 24 HB1 PHE 24 -19.572 15.625 -11.579 129 HD1 PHE 24 HD2 PHE 24 -17.253 18.301 -12.314 130 HD2 PHE 24 HD1 PHE 24 -20.425 17.092 -9.759 131 HE1 PHE 24 HE2 PHE 24 -17.632 20.642 -11.678 132 HE2 PHE 24 HE1 PHE 24 -20.815 19.428 -9.124 133 HZ PHE 24 HZ PHE 24 -19.416 21.211 -10.085 134 H CYS 25 HN CYS 25 -16.698 15.100 -12.986 135 HA CYS 25 HA CYS 25 -14.050 16.094 -12.211 136 HB2 CYS 25 HB2 CYS 25 -14.180 13.541 -12.517 137 HB3 CYS 25 HB1 CYS 25 -14.618 13.924 -14.189 138 H VAL 26 HN VAL 26 -13.125 17.249 -13.845 139 HA VAL 26 HA VAL 26 -14.946 18.110 -16.007 140 HB VAL 26 HB VAL 26 -12.767 19.746 -14.697 141 HG11 VAL 26 HG11 VAL 26 -15.070 20.516 -16.463 142 HG12 VAL 26 HG12 VAL 26 -13.368 20.443 -16.924 143 HG13 VAL 26 HG13 VAL 26 -13.912 21.631 -15.738 144 HG21 VAL 26 HG21 VAL 26 -14.432 19.273 -12.993 145 HG22 VAL 26 HG22 VAL 26 -15.719 19.786 -14.082 146 HG23 VAL 26 HG23 VAL 26 -14.546 20.961 -13.498 147 H TYR 27 HN TYR 27 -14.250 17.727 -17.927 148 HA TYR 27 HA TYR 27 -11.476 16.847 -18.341 149 HB2 TYR 27 HB2 TYR 27 -13.982 16.409 -19.966 150 HB3 TYR 27 HB1 TYR 27 -12.363 15.956 -20.491 151 HD1 TYR 27 HD1 TYR 27 -14.748 15.416 -17.656 152 HD2 TYR 27 HD2 TYR 27 -11.584 13.821 -20.006 153 HE1 TYR 27 HE1 TYR 27 -14.979 13.262 -16.500 154 HE2 TYR 27 HE2 TYR 27 -11.807 11.669 -18.852 155 HH TYR 27 HH TYR 27 -14.476 10.891 -16.922 156 H TYR 28 HN TYR 28 -10.199 17.716 -19.747 157 HA TYR 28 HA TYR 28 -11.108 20.059 -21.259 158 HB2 TYR 28 HB2 TYR 28 -8.562 19.822 -19.646 159 HB3 TYR 28 HB1 TYR 28 -8.914 21.119 -20.793 160 HD1 TYR 28 HD1 TYR 28 -9.895 19.607 -17.546 161 HD2 TYR 28 HD2 TYR 28 -10.129 23.020 -20.072 162 HE1 TYR 28 HE1 TYR 28 -10.797 20.919 -15.680 163 HE2 TYR 28 HE2 TYR 28 -11.046 24.341 -18.211 164 HH TYR 28 HH TYR 28 -11.018 23.137 -14.981 165 H ASP 29 HN ASP 29 -10.056 20.374 -23.157 166 HA ASP 29 HA ASP 29 -8.591 18.177 -24.390 167 HB2 ASP 29 HB2 ASP 29 -10.272 19.483 -25.716 168 HB3 ASP 29 HB1 ASP 29 -9.321 20.941 -25.409 169 H GLY 30 HN GLY 30 -6.579 18.113 -23.514 170 HA2 GLY 30 HA2 GLY 30 -4.405 19.044 -23.983 171 HA3 GLY 30 HA1 GLY 30 -5.013 20.624 -23.496 172 H HIS 31 HN HIS 31 -3.019 18.716 -22.623 173 HA HIS 31 HA HIS 31 -3.838 18.063 -19.863 174 HB2 HIS 31 HB2 HIS 31 -1.819 16.640 -19.800 175 HB3 HIS 31 HB1 HIS 31 -2.860 16.267 -21.186 176 HD1 HIS 31 HD1 HIS 31 0.643 16.878 -20.380 177 HD2 HIS 31 HD2 HIS 31 -1.831 17.574 -23.647 178 HE1 HIS 31 HE1 HIS 31 2.155 17.189 -22.352 179 H LEU 32 HN LEU 32 -3.002 20.703 -21.029 180 HA LEU 32 HA LEU 32 -0.917 21.371 -19.082 181 HB2 LEU 32 HB2 LEU 32 -0.020 21.022 -21.420 182 HB3 LEU 32 HB1 LEU 32 -1.059 22.330 -21.940 183 HG LEU 32 HG LEU 32 0.136 23.776 -20.296 184 HD11 LEU 32 HD11 LEU 32 1.137 22.029 -18.912 185 HD12 LEU 32 HD12 LEU 32 2.401 23.036 -19.620 186 HD13 LEU 32 HD13 LEU 32 2.051 21.447 -20.299 187 HD21 LEU 32 HD21 LEU 32 2.054 24.138 -21.786 188 HD22 LEU 32 HD22 LEU 32 0.551 23.908 -22.680 189 HD23 LEU 32 HD23 LEU 32 1.720 22.593 -22.567 190 HA PRO 33 HA PRO 33 -4.195 24.246 -18.118 191 HB2 PRO 33 HB2 PRO 33 -2.556 26.099 -16.793 192 HB3 PRO 33 HB1 PRO 33 -3.398 24.735 -16.041 193 HG2 PRO 33 HG2 PRO 33 -0.574 24.981 -16.794 194 HG3 PRO 33 HG1 PRO 33 -1.334 23.996 -15.540 195 HD2 PRO 33 HD2 PRO 33 -0.373 22.964 -17.837 196 HD3 PRO 33 HD1 PRO 33 -1.718 22.246 -16.919 197 H ALA 34 HN ALA 34 -1.299 25.248 -19.741 198 HA ALA 34 HA ALA 34 -2.297 27.828 -20.484 199 HB1 ALA 34 HB1 ALA 34 0.106 27.379 -20.291 200 HB2 ALA 34 HB2 ALA 34 -0.322 27.969 -21.896 201 HB3 ALA 34 HB3 ALA 34 -0.005 26.254 -21.644 202 H THR 35 HN THR 35 -2.772 24.648 -21.717 203 HA THR 35 HA THR 35 -3.786 25.737 -24.263 204 HB THR 35 HB THR 35 -2.259 23.123 -24.035 205 HG1 THR 35 HG1 THR 35 -1.351 25.789 -24.317 206 HG21 THR 35 HG21 THR 35 -1.888 23.459 -26.438 207 HG22 THR 35 HG22 THR 35 -2.720 25.009 -26.367 208 HG23 THR 35 HG23 THR 35 -3.619 23.515 -26.093 209 H ARG 36 HN ARG 36 -5.105 24.803 -21.677 210 HA ARG 36 HA ARG 36 -6.414 22.359 -22.545 211 HB2 ARG 36 HB2 ARG 36 -7.154 22.114 -20.242 212 HB3 ARG 36 HB1 ARG 36 -5.444 22.417 -20.286 213 HG2 ARG 36 HG2 ARG 36 -5.709 24.684 -19.600 214 HG3 ARG 36 HG1 ARG 36 -7.457 24.572 -19.747 215 HD2 ARG 36 HD2 ARG 36 -7.525 22.971 -17.910 216 HD3 ARG 36 HD1 ARG 36 -5.767 23.039 -17.754 217 HE ARG 36 HE ARG 36 -6.589 25.628 -17.635 218 HH11 ARG 36 HH11 ARG 36 -7.317 22.753 -15.592 219 HH12 ARG 36 HH12 ARG 36 -7.661 23.706 -14.253 220 HH21 ARG 36 HH21 ARG 36 -7.104 26.848 -15.727 221 HH22 ARG 36 HH22 ARG 36 -7.561 26.028 -14.311 222 H VAL 37 HN VAL 37 -8.267 22.495 -23.551 223 HA VAL 37 HA VAL 37 -10.003 24.868 -23.244 224 HB VAL 37 HB VAL 37 -10.150 22.609 -25.281 225 HG11 VAL 37 HG11 VAL 37 -11.666 25.194 -25.184 226 HG12 VAL 37 HG12 VAL 37 -12.316 23.580 -24.907 227 HG13 VAL 37 HG13 VAL 37 -11.708 24.024 -26.503 228 HG21 VAL 37 HG21 VAL 37 -9.122 25.427 -25.614 229 HG22 VAL 37 HG22 VAL 37 -9.308 24.244 -26.908 230 HG23 VAL 37 HG23 VAL 37 -8.142 23.960 -25.618 231 H LEU 38 HN LEU 38 -12.004 24.699 -22.316 232 HA LEU 38 HA LEU 38 -12.520 22.482 -20.624 233 HB2 LEU 38 HB2 LEU 38 -13.174 24.819 -20.090 234 HB3 LEU 38 HB1 LEU 38 -14.267 24.831 -21.444 235 HG LEU 38 HG LEU 38 -15.327 24.698 -19.164 236 HD11 LEU 38 HD11 LEU 38 -15.994 22.421 -21.011 237 HD12 LEU 38 HD12 LEU 38 -16.616 24.069 -21.115 238 HD13 LEU 38 HD13 LEU 38 -17.029 23.057 -19.730 239 HD21 LEU 38 HD21 LEU 38 -13.740 23.198 -18.123 240 HD22 LEU 38 HD22 LEU 38 -14.242 21.901 -19.212 241 HD23 LEU 38 HD23 LEU 38 -15.377 22.551 -18.031 242 H LEU 39 HN LEU 39 -13.567 20.576 -21.102 243 HA LEU 39 HA LEU 39 -15.063 20.511 -23.613 244 HB2 LEU 39 HB2 LEU 39 -13.723 18.279 -22.121 245 HB3 LEU 39 HB1 LEU 39 -14.746 18.050 -23.517 246 HG LEU 39 HG LEU 39 -12.112 19.506 -23.452 247 HD11 LEU 39 HD11 LEU 39 -11.892 17.092 -23.290 248 HD12 LEU 39 HD12 LEU 39 -11.362 17.659 -24.874 249 HD13 LEU 39 HD13 LEU 39 -12.939 16.891 -24.697 250 HD21 LEU 39 HD21 LEU 39 -14.012 18.997 -25.745 251 HD22 LEU 39 HD22 LEU 39 -12.368 19.594 -25.908 252 HD23 LEU 39 HD23 LEU 39 -13.571 20.569 -25.072 253 H MET 40 HN MET 40 -15.217 18.834 -20.387 254 HA MET 40 HA MET 40 -18.029 19.289 -20.233 255 HB2 MET 40 HB2 MET 40 -17.155 16.862 -21.560 256 HB3 MET 40 HB1 MET 40 -18.186 16.546 -20.152 257 HG2 MET 40 HG2 MET 40 -19.899 17.949 -21.064 258 HG3 MET 40 HG1 MET 40 -18.846 18.410 -22.384 259 HE1 MET 40 HE1 MET 40 -20.788 14.242 -21.821 260 HE2 MET 40 HE2 MET 40 -21.138 15.651 -20.823 261 HE3 MET 40 HE3 MET 40 -19.557 14.875 -20.725 262 H TYR 41 HN TYR 41 -19.041 18.116 -18.636 263 HA TYR 41 HA TYR 41 -17.327 17.639 -16.268 264 HB2 TYR 41 HB2 TYR 41 -20.164 18.661 -16.514 265 HB3 TYR 41 HB1 TYR 41 -19.393 18.219 -14.991 266 HD1 TYR 41 HD2 TYR 41 -19.005 20.508 -17.918 267 HD2 TYR 41 HD1 TYR 41 -18.261 19.855 -13.794 268 HE1 TYR 41 HE2 TYR 41 -18.148 22.799 -17.715 269 HE2 TYR 41 HE1 TYR 41 -17.405 22.137 -13.580 270 HH TYR 41 HH TYR 41 -17.829 24.454 -16.023 271 H VAL 42 HN VAL 42 -17.431 15.598 -15.440 272 HA VAL 42 HA VAL 42 -19.752 13.934 -16.192 273 HB VAL 42 HB VAL 42 -16.893 12.945 -15.964 274 HG11 VAL 42 HG11 VAL 42 -17.767 10.833 -16.880 275 HG12 VAL 42 HG12 VAL 42 -19.395 11.504 -16.824 276 HG13 VAL 42 HG13 VAL 42 -18.500 11.250 -15.330 277 HG21 VAL 42 HG21 VAL 42 -17.123 14.285 -17.971 278 HG22 VAL 42 HG22 VAL 42 -18.572 13.400 -18.428 279 HG23 VAL 42 HG23 VAL 42 -17.011 12.578 -18.410 280 H ARG 43 HN ARG 43 -20.759 13.058 -14.491 281 HA ARG 43 HA ARG 43 -19.936 13.592 -11.853 282 HB2 ARG 43 HB2 ARG 43 -22.306 13.427 -12.615 283 HB3 ARG 43 HB1 ARG 43 -22.068 11.709 -12.888 284 HG2 ARG 43 HG2 ARG 43 -23.190 11.941 -10.824 285 HG3 ARG 43 HG1 ARG 43 -21.524 11.501 -10.451 286 HD2 ARG 43 HD2 ARG 43 -21.040 13.938 -10.136 287 HD3 ARG 43 HD1 ARG 43 -22.768 14.234 -10.303 288 HE ARG 43 HE ARG 43 -21.852 12.343 -8.309 289 HH11 ARG 43 HH11 ARG 43 -23.298 15.490 -8.992 290 HH12 ARG 43 HH12 ARG 43 -23.681 15.828 -7.378 291 HH21 ARG 43 HH21 ARG 43 -22.320 12.811 -6.092 292 HH22 ARG 43 HH22 ARG 43 -23.102 14.260 -5.662 293 H ILE 44 HN ILE 44 -18.901 12.333 -10.466 294 HA ILE 44 HA ILE 44 -17.375 10.121 -11.324 295 HB ILE 44 HB ILE 44 -18.011 11.019 -8.497 296 HG12 ILE 44 HG12 ILE 44 -16.837 12.614 -9.917 297 HG13 ILE 44 HG11 ILE 44 -15.839 12.122 -8.537 298 HG21 ILE 44 HG21 ILE 44 -17.348 8.676 -8.466 299 HG22 ILE 44 HG22 ILE 44 -16.080 9.681 -7.767 300 HG23 ILE 44 HG23 ILE 44 -15.905 9.053 -9.408 301 HD11 ILE 44 HD11 ILE 44 -14.629 10.607 -10.119 302 HD12 ILE 44 HD12 ILE 44 -14.491 12.318 -10.518 303 HD13 ILE 44 HD13 ILE 44 -15.593 11.290 -11.434 304 H GLY 45 HN GLY 45 -17.966 8.225 -11.720 305 HA2 GLY 45 HA2 GLY 45 -18.825 6.137 -10.865 306 HA3 GLY 45 HA1 GLY 45 -20.207 7.035 -10.242 307 H THR 46 HN THR 46 -20.056 8.617 -12.885 308 HA THR 46 HA THR 46 -21.793 6.695 -14.313 309 HB THR 46 HB THR 46 -22.906 8.653 -15.269 310 HG1 THR 46 HG1 THR 46 -20.822 9.992 -13.986 311 HG21 THR 46 HG21 THR 46 -23.800 7.688 -13.201 312 HG22 THR 46 HG22 THR 46 -24.042 9.436 -13.230 313 HG23 THR 46 HG23 THR 46 -22.747 8.739 -12.255 314 H THR 47 HN THR 47 -22.029 7.064 -16.538 315 HA THR 47 HA THR 47 -19.470 7.459 -17.879 316 HB THR 47 HB THR 47 -20.703 6.592 -19.840 317 HG1 THR 47 HG1 THR 47 -22.803 6.415 -19.627 318 HG21 THR 47 HG21 THR 47 -20.582 4.747 -17.450 319 HG22 THR 47 HG22 THR 47 -19.273 5.087 -18.587 320 HG23 THR 47 HG23 THR 47 -20.705 4.210 -19.124 321 H ALA 48 HN ALA 48 -19.425 8.722 -19.683 322 HA ALA 48 HA ALA 48 -21.715 10.370 -20.446 323 HB1 ALA 48 HB1 ALA 48 -20.738 11.684 -18.620 324 HB2 ALA 48 HB2 ALA 48 -20.572 12.502 -20.174 325 HB3 ALA 48 HB3 ALA 48 -19.186 11.673 -19.464 326 H THR 49 HN THR 49 -21.551 11.231 -22.489 327 HA THR 49 HA THR 49 -19.292 10.174 -23.990 328 HB THR 49 HB THR 49 -21.929 11.196 -25.067 329 HG1 THR 49 HG1 THR 49 -21.381 9.032 -23.652 330 HG21 THR 49 HG21 THR 49 -21.282 9.899 -27.060 331 HG22 THR 49 HG22 THR 49 -19.784 9.417 -26.265 332 HG23 THR 49 HG23 THR 49 -20.053 11.107 -26.683 333 H ILE 50 HN ILE 50 -17.755 11.567 -24.281 334 HA ILE 50 HA ILE 50 -18.205 14.481 -24.391 335 HB ILE 50 HB ILE 50 -15.582 13.041 -24.749 336 HG12 ILE 50 HG12 ILE 50 -16.530 12.077 -22.673 337 HG13 ILE 50 HG11 ILE 50 -15.111 13.076 -22.342 338 HG21 ILE 50 HG21 ILE 50 -14.620 15.066 -23.738 339 HG22 ILE 50 HG22 ILE 50 -16.243 15.733 -23.575 340 HG23 ILE 50 HG23 ILE 50 -15.582 15.410 -25.176 341 HD11 ILE 50 HD11 ILE 50 -16.559 14.860 -21.573 342 HD12 ILE 50 HD12 ILE 50 -16.867 13.368 -20.681 343 HD13 ILE 50 HD13 ILE 50 -17.980 13.889 -21.950 344 H THR 51 HN THR 51 -17.726 15.530 -26.304 345 HA THR 51 HA THR 51 -16.870 13.859 -28.556 346 HB THR 51 HB THR 51 -18.990 16.025 -28.784 347 HG1 THR 51 HG1 THR 51 -19.080 13.411 -28.009 348 HG21 THR 51 HG21 THR 51 -18.145 13.793 -30.658 349 HG22 THR 51 HG22 THR 51 -17.707 15.487 -30.843 350 HG23 THR 51 HG23 THR 51 -19.394 14.996 -30.981 351 H ALA 52 HN ALA 52 -14.905 14.623 -28.963 352 HA ALA 52 HA ALA 52 -14.553 17.520 -29.100 353 HB1 ALA 52 HB1 ALA 52 -12.675 15.617 -27.688 354 HB2 ALA 52 HB2 ALA 52 -13.698 16.827 -26.922 355 HB3 ALA 52 HB3 ALA 52 -12.376 17.332 -27.975 356 H ARG 53 HN ARG 53 -13.500 18.118 -30.842 357 HA ARG 53 HA ARG 53 -12.448 18.125 -32.828 358 HB2 ARG 53 HB2 ARG 53 -10.957 15.689 -31.863 359 HB3 ARG 53 HB1 ARG 53 -10.471 16.781 -33.166 360 HG2 ARG 53 HG2 ARG 53 -10.350 18.581 -31.434 361 HG3 ARG 53 HG1 ARG 53 -10.560 17.308 -30.219 362 HD2 ARG 53 HD2 ARG 53 -8.326 17.612 -32.212 363 HD3 ARG 53 HD1 ARG 53 -8.253 17.756 -30.448 364 HE ARG 53 HE ARG 53 -9.156 15.203 -31.336 365 HH11 ARG 53 HH11 ARG 53 -6.268 17.139 -30.650 366 HH12 ARG 53 HH12 ARG 53 -5.216 15.821 -30.517 367 HH21 ARG 53 HH21 ARG 53 -7.676 13.337 -31.177 368 HH22 ARG 53 HH22 ARG 53 -6.048 13.608 -30.807 369 H GLY 54 HN GLY 54 -14.795 16.581 -32.382 370 HA2 GLY 54 HA2 GLY 54 -16.233 15.516 -33.873 371 HA3 GLY 54 HA1 GLY 54 -14.834 15.157 -34.893 372 H HIS 55 HN HIS 55 -13.956 14.179 -31.847 373 HA HIS 55 HA HIS 55 -14.666 11.436 -32.549 374 HB2 HIS 55 HB2 HIS 55 -12.765 12.362 -30.405 375 HB3 HIS 55 HB1 HIS 55 -12.932 10.733 -31.051 376 HD1 HIS 55 HD1 HIS 55 -12.032 10.593 -33.722 377 HD2 HIS 55 HD2 HIS 55 -10.814 13.781 -31.368 378 HE1 HIS 55 HE1 HIS 55 -10.013 11.589 -34.867 379 H GLU 56 HN GLU 56 -15.996 10.305 -31.306 380 HA GLU 56 HA GLU 56 -17.200 11.538 -28.974 381 HB2 GLU 56 HB2 GLU 56 -17.757 8.981 -30.474 382 HB3 GLU 56 HB1 GLU 56 -18.607 9.459 -29.003 383 HG2 GLU 56 HG2 GLU 56 -19.507 11.372 -30.102 384 HG3 GLU 56 HG1 GLU 56 -18.567 11.042 -31.557 385 H PHE 57 HN PHE 57 -16.338 11.127 -27.034 386 HA PHE 57 HA PHE 57 -14.898 8.611 -26.625 387 HB2 PHE 57 HB2 PHE 57 -14.621 11.243 -25.167 388 HB3 PHE 57 HB1 PHE 57 -13.690 9.775 -24.876 389 HD1 PHE 57 HD1 PHE 57 -12.107 8.994 -26.664 390 HD2 PHE 57 HD2 PHE 57 -13.988 12.805 -26.757 391 HE1 PHE 57 HE1 PHE 57 -10.425 9.784 -28.273 392 HE2 PHE 57 HE2 PHE 57 -12.314 13.598 -28.363 393 HZ PHE 57 HZ PHE 57 -10.547 12.093 -29.132 394 H GLU 58 HN GLU 58 -16.475 7.349 -25.719 395 HA GLU 58 HA GLU 58 -18.121 8.618 -23.698 396 HB2 GLU 58 HB2 GLU 58 -19.228 7.048 -25.293 397 HB3 GLU 58 HB1 GLU 58 -18.196 5.756 -24.672 398 HG2 GLU 58 HG2 GLU 58 -19.194 5.946 -22.506 399 HG3 GLU 58 HG1 GLU 58 -20.151 7.301 -23.110 400 H VAL 59 HN VAL 59 -17.322 8.848 -21.850 401 HA VAL 59 HA VAL 59 -15.138 7.125 -20.958 402 HB VAL 59 HB VAL 59 -14.459 8.991 -19.540 403 HG11 VAL 59 HG11 VAL 59 -14.845 9.788 -22.417 404 HG12 VAL 59 HG12 VAL 59 -13.440 8.976 -21.702 405 HG13 VAL 59 HG13 VAL 59 -13.813 10.640 -21.276 406 HG21 VAL 59 HG21 VAL 59 -15.501 11.219 -19.722 407 HG22 VAL 59 HG22 VAL 59 -16.620 10.020 -19.078 408 HG23 VAL 59 HG23 VAL 59 -16.752 10.533 -20.761 409 H GLU 60 HN GLU 60 -15.207 6.282 -18.915 410 HA GLU 60 HA GLU 60 -17.642 6.831 -17.406 411 HB2 GLU 60 HB2 GLU 60 -17.361 4.418 -18.205 412 HB3 GLU 60 HB1 GLU 60 -15.940 4.351 -17.161 413 HG2 GLU 60 HG2 GLU 60 -17.296 4.836 -15.212 414 HG3 GLU 60 HG1 GLU 60 -18.732 4.976 -16.217 415 H ALA 61 HN ALA 61 -17.237 8.056 -15.801 416 HA ALA 61 HA ALA 61 -14.537 8.358 -14.790 417 HB1 ALA 61 HB1 ALA 61 -17.120 9.563 -13.749 418 HB2 ALA 61 HB2 ALA 61 -16.020 10.327 -14.896 419 HB3 ALA 61 HB3 ALA 61 -15.492 10.020 -13.241 420 H LYS 62 HN LYS 62 -13.909 6.499 -13.863 421 HA LYS 62 HA LYS 62 -15.623 4.808 -12.334 422 HB2 LYS 62 HB2 LYS 62 -12.617 4.837 -12.605 423 HB3 LYS 62 HB1 LYS 62 -13.545 3.591 -11.793 424 HG2 LYS 62 HG2 LYS 62 -13.829 4.346 -14.670 425 HG3 LYS 62 HG1 LYS 62 -12.725 3.116 -14.022 426 HD2 LYS 62 HD2 LYS 62 -14.670 1.961 -13.038 427 HD3 LYS 62 HD1 LYS 62 -15.730 3.142 -13.818 428 HE2 LYS 62 HE2 LYS 62 -14.900 2.479 -15.990 429 HE3 LYS 62 HE1 LYS 62 -13.784 1.358 -15.191 430 HZ1 LYS 62 HZ1 LYS 62 -15.664 0.104 -14.380 431 HZ2 LYS 62 HZ2 LYS 62 -15.827 0.246 -16.044 432 HZ3 LYS 62 HZ3 LYS 62 -16.746 1.230 -15.014 433 H ASP 63 HN ASP 63 -12.805 6.735 -11.402 434 HA ASP 63 HA ASP 63 -13.710 6.487 -8.614 435 HB2 ASP 63 HB2 ASP 63 -11.723 5.103 -9.144 436 HB3 ASP 63 HB1 ASP 63 -10.874 6.560 -9.638 437 H GLN 64 HN GLN 64 -12.965 8.148 -7.224 438 HA GLN 64 HA GLN 64 -13.611 10.768 -7.880 439 HB2 GLN 64 HB2 GLN 64 -11.816 9.759 -5.713 440 HB3 GLN 64 HB1 GLN 64 -12.600 11.328 -5.744 441 HG2 GLN 64 HG2 GLN 64 -14.769 10.321 -5.531 442 HG3 GLN 64 HG1 GLN 64 -14.081 8.709 -5.708 443 HE21 GLN 64 HE21 GLN 64 -11.770 9.268 -3.986 444 HE22 GLN 64 HE22 GLN 64 -12.376 9.292 -2.399 445 H ASN 65 HN ASN 65 -10.598 9.076 -8.294 446 HA ASN 65 HA ASN 65 -9.004 11.500 -8.475 447 HB2 ASN 65 HB2 ASN 65 -8.301 8.611 -9.002 448 HB3 ASN 65 HB1 ASN 65 -7.162 9.958 -9.085 449 HD21 ASN 65 HD21 ASN 65 -8.435 11.244 -6.681 450 HD22 ASN 65 HD22 ASN 65 -7.858 10.307 -5.368 451 H CYS 66 HN CYS 66 -11.262 10.562 -10.376 452 HA CYS 66 HA CYS 66 -11.830 10.740 -12.503 453 HB2 CYS 66 HB2 CYS 66 -9.314 12.394 -12.620 454 HB3 CYS 66 HB1 CYS 66 -10.442 12.250 -13.979 455 H LYS 67 HN LYS 67 -10.619 8.473 -11.688 456 HA LYS 67 HA LYS 67 -8.808 7.495 -13.511 457 HB2 LYS 67 HB2 LYS 67 -9.684 6.583 -11.219 458 HB3 LYS 67 HB1 LYS 67 -10.947 5.872 -12.219 459 HG2 LYS 67 HG2 LYS 67 -9.196 4.275 -11.626 460 HG3 LYS 67 HG1 LYS 67 -9.300 4.525 -13.373 461 HD2 LYS 67 HD2 LYS 67 -7.585 6.343 -11.932 462 HD3 LYS 67 HD1 LYS 67 -6.979 4.661 -11.965 463 HE2 LYS 67 HE2 LYS 67 -7.035 4.654 -14.340 464 HE3 LYS 67 HE1 LYS 67 -7.946 6.163 -14.363 465 HZ1 LYS 67 HZ1 LYS 67 -5.966 7.272 -13.476 466 HZ2 LYS 67 HZ2 LYS 67 -5.643 6.539 -14.943 467 HZ3 LYS 67 HZ3 LYS 67 -5.112 5.812 -13.496 468 H VAL 68 HN VAL 68 -9.429 7.969 -15.574 469 HA VAL 68 HA VAL 68 -12.141 7.481 -16.383 470 HB VAL 68 HB VAL 68 -11.435 9.671 -16.919 471 HG11 VAL 68 HG11 VAL 68 -9.031 9.411 -16.789 472 HG12 VAL 68 HG12 VAL 68 -9.472 10.192 -18.306 473 HG13 VAL 68 HG13 VAL 68 -9.027 8.483 -18.288 474 HG21 VAL 68 HG21 VAL 68 -11.320 7.999 -19.422 475 HG22 VAL 68 HG22 VAL 68 -11.626 9.732 -19.384 476 HG23 VAL 68 HG23 VAL 68 -12.769 8.610 -18.633 477 H ILE 69 HN ILE 69 -12.582 5.594 -17.008 478 HA ILE 69 HA ILE 69 -10.880 4.394 -19.041 479 HB ILE 69 HB ILE 69 -12.578 2.987 -16.941 480 HG12 ILE 69 HG12 ILE 69 -10.413 1.630 -16.688 481 HG13 ILE 69 HG11 ILE 69 -9.653 2.857 -17.667 482 HG21 ILE 69 HG21 ILE 69 -12.120 0.858 -18.067 483 HG22 ILE 69 HG22 ILE 69 -11.347 1.731 -19.389 484 HG23 ILE 69 HG23 ILE 69 -13.070 1.946 -19.081 485 HD11 ILE 69 HD11 ILE 69 -10.201 4.544 -15.974 486 HD12 ILE 69 HD12 ILE 69 -9.207 3.238 -15.329 487 HD13 ILE 69 HD13 ILE 69 -10.933 3.288 -14.975 488 H LEU 70 HN LEU 70 -11.805 4.292 -20.954 489 HA LEU 70 HA LEU 70 -14.497 5.267 -21.217 490 HB2 LEU 70 HB2 LEU 70 -12.405 4.549 -23.260 491 HB3 LEU 70 HB1 LEU 70 -14.032 4.991 -23.685 492 HG LEU 70 HG LEU 70 -13.654 7.216 -22.614 493 HD11 LEU 70 HD11 LEU 70 -11.813 6.688 -21.148 494 HD12 LEU 70 HD12 LEU 70 -11.370 7.987 -22.257 495 HD13 LEU 70 HD13 LEU 70 -10.780 6.348 -22.534 496 HD21 LEU 70 HD21 LEU 70 -12.327 8.109 -24.469 497 HD22 LEU 70 HD22 LEU 70 -13.558 6.968 -25.002 498 HD23 LEU 70 HD23 LEU 70 -11.870 6.470 -24.924 499 H THR 71 HN THR 71 -15.961 4.253 -22.538 500 HA THR 71 HA THR 71 -16.381 1.472 -21.880 501 HB THR 71 HB THR 71 -18.443 1.776 -23.265 502 HG1 THR 71 HG1 THR 71 -18.806 3.870 -24.084 503 HG21 THR 71 HG21 THR 71 -18.517 2.389 -20.889 504 HG22 THR 71 HG22 THR 71 -19.493 3.509 -21.838 505 HG23 THR 71 HG23 THR 71 -17.894 3.993 -21.274 506 H ASN 72 HN ASN 72 -15.122 3.372 -24.305 507 HA ASN 72 HA ASN 72 -15.206 1.567 -26.519 508 HB2 ASN 72 HB2 ASN 72 -13.602 4.082 -26.014 509 HB3 ASN 72 HB1 ASN 72 -13.499 3.151 -27.510 510 HD21 ASN 72 HD21 ASN 72 -16.618 3.644 -25.813 511 HD22 ASN 72 HD22 ASN 72 -17.231 4.691 -27.027 512 H GLY 73 HN GLY 73 -13.433 1.636 -23.656 513 HA2 GLY 73 HA2 GLY 73 -12.098 -0.142 -23.018 514 HA3 GLY 73 HA1 GLY 73 -11.631 -0.382 -24.710 515 H LYS 74 HN LYS 74 -11.565 2.828 -24.132 516 HA LYS 74 HA LYS 74 -8.693 2.673 -24.122 517 HB2 LYS 74 HB2 LYS 74 -10.539 4.997 -24.617 518 HB3 LYS 74 HB1 LYS 74 -8.790 5.069 -24.737 519 HG2 LYS 74 HG2 LYS 74 -10.571 3.326 -26.438 520 HG3 LYS 74 HG1 LYS 74 -9.885 4.880 -26.925 521 HD2 LYS 74 HD2 LYS 74 -7.645 3.990 -26.667 522 HD3 LYS 74 HD1 LYS 74 -8.292 2.433 -26.150 523 HE2 LYS 74 HE2 LYS 74 -7.608 2.382 -28.497 524 HE3 LYS 74 HE1 LYS 74 -9.346 2.150 -28.336 525 HZ1 LYS 74 HZ1 LYS 74 -8.025 4.720 -29.064 526 HZ2 LYS 74 HZ2 LYS 74 -9.679 4.456 -28.968 527 HZ3 LYS 74 HZ3 LYS 74 -8.774 3.667 -30.139 528 H GLN 75 HN GLN 75 -7.445 3.894 -22.750 529 HA GLN 75 HA GLN 75 -8.703 4.474 -20.160 530 HB2 GLN 75 HB2 GLN 75 -5.782 3.994 -20.823 531 HB3 GLN 75 HB1 GLN 75 -6.424 4.268 -19.214 532 HG2 GLN 75 HG2 GLN 75 -7.764 2.224 -19.402 533 HG3 GLN 75 HG1 GLN 75 -7.091 1.943 -21.004 534 HE21 GLN 75 HE21 GLN 75 -4.951 1.298 -21.183 535 HE22 GLN 75 HE22 GLN 75 -4.061 0.682 -19.851 536 H ALA 76 HN ALA 76 -8.712 6.065 -22.482 537 HA ALA 76 HA ALA 76 -8.928 8.211 -23.022 538 HB1 ALA 76 HB1 ALA 76 -8.507 10.041 -21.470 539 HB2 ALA 76 HB2 ALA 76 -7.663 8.938 -20.379 540 HB3 ALA 76 HB3 ALA 76 -9.388 8.732 -20.683 541 HA PRO 77 HA PRO 77 -5.154 9.020 -25.175 542 HB2 PRO 77 HB2 PRO 77 -5.915 11.503 -26.112 543 HB3 PRO 77 HB1 PRO 77 -6.376 9.987 -26.913 544 HG2 PRO 77 HG2 PRO 77 -7.944 11.720 -25.121 545 HG3 PRO 77 HG1 PRO 77 -8.468 10.759 -26.526 546 HD2 PRO 77 HD2 PRO 77 -8.950 9.994 -24.003 547 HD3 PRO 77 HD1 PRO 77 -8.645 8.830 -25.317 548 H ASP 78 HN ASP 78 -3.382 10.298 -24.924 549 HA ASP 78 HA ASP 78 -2.751 11.225 -22.387 550 HB2 ASP 78 HB2 ASP 78 -1.053 10.489 -23.938 551 HB3 ASP 78 HB1 ASP 78 -1.419 11.823 -25.025 552 H TRP 79 HN TRP 79 -3.888 13.036 -25.133 553 HA TRP 79 HA TRP 79 -3.365 15.595 -23.985 554 HB2 TRP 79 HB2 TRP 79 -4.600 16.483 -25.948 555 HB3 TRP 79 HB1 TRP 79 -3.364 15.303 -26.397 556 HD1 TRP 79 HD1 TRP 79 -4.143 13.152 -27.488 557 HE1 TRP 79 HE1 TRP 79 -6.405 12.368 -28.543 558 HE3 TRP 79 HE3 TRP 79 -7.200 16.736 -25.598 559 HZ2 TRP 79 HZ2 TRP 79 -9.030 13.160 -28.521 560 HZ3 TRP 79 HZ3 TRP 79 -9.597 16.671 -26.154 561 HH2 TRP 79 HH2 TRP 79 -10.504 14.920 -27.590 562 H LEU 80 HN LEU 80 -5.879 13.343 -23.509 563 HA LEU 80 HA LEU 80 -7.862 15.372 -22.957 564 HB2 LEU 80 HB2 LEU 80 -8.597 13.308 -24.007 565 HB3 LEU 80 HB1 LEU 80 -7.948 12.360 -22.664 566 HG LEU 80 HG LEU 80 -9.629 13.399 -21.183 567 HD11 LEU 80 HD11 LEU 80 -9.982 15.490 -22.353 568 HD12 LEU 80 HD12 LEU 80 -11.513 14.627 -22.180 569 HD13 LEU 80 HD13 LEU 80 -10.671 14.629 -23.728 570 HD21 LEU 80 HD21 LEU 80 -10.759 12.051 -23.634 571 HD22 LEU 80 HD22 LEU 80 -11.571 12.193 -22.076 572 HD23 LEU 80 HD23 LEU 80 -10.096 11.240 -22.215 573 H ALA 81 HN ALA 81 -7.991 16.316 -21.041 574 HA ALA 81 HA ALA 81 -6.558 15.029 -18.842 575 HB1 ALA 81 HB1 ALA 81 -5.558 17.122 -19.577 576 HB2 ALA 81 HB2 ALA 81 -6.210 17.266 -17.942 577 HB3 ALA 81 HB3 ALA 81 -7.087 17.958 -19.309 578 H ALA 82 HN ALA 82 -7.557 14.856 -16.934 579 HA ALA 82 HA ALA 82 -10.322 15.797 -16.765 580 HB1 ALA 82 HB1 ALA 82 -10.292 13.397 -17.235 581 HB2 ALA 82 HB2 ALA 82 -10.857 13.709 -15.593 582 HB3 ALA 82 HB3 ALA 82 -9.209 13.137 -15.864 583 H GLU 83 HN GLU 83 -10.662 16.941 -14.944 584 HA GLU 83 HA GLU 83 -8.734 16.612 -12.786 585 HB2 GLU 83 HB2 GLU 83 -9.900 19.240 -13.739 586 HB3 GLU 83 HB1 GLU 83 -8.833 19.040 -12.360 587 HG2 GLU 83 HG2 GLU 83 -7.075 18.212 -13.889 588 HG3 GLU 83 HG1 GLU 83 -8.148 18.537 -15.248 589 HA PRO 84 HA PRO 84 -12.493 15.627 -10.698 590 HB2 PRO 84 HB2 PRO 84 -11.461 15.507 -8.186 591 HB3 PRO 84 HB1 PRO 84 -11.133 14.254 -9.402 592 HG2 PRO 84 HG2 PRO 84 -9.465 16.589 -8.621 593 HG3 PRO 84 HG1 PRO 84 -8.994 14.883 -8.803 594 HD2 PRO 84 HD2 PRO 84 -8.484 16.564 -10.762 595 HD3 PRO 84 HD1 PRO 84 -9.144 14.917 -11.035 596 H TYR 85 HN TYR 85 -14.128 16.805 -9.809 597 HA TYR 85 HA TYR 85 -13.278 19.109 -8.396 598 HB2 TYR 85 HB2 TYR 85 -14.178 19.775 -10.624 599 HB3 TYR 85 HB1 TYR 85 -15.739 19.076 -10.152 600 HD1 TYR 85 HD1 TYR 85 -13.286 21.730 -9.353 601 HD2 TYR 85 HD2 TYR 85 -17.225 20.287 -8.756 602 HE1 TYR 85 HE1 TYR 85 -13.878 23.837 -8.240 603 HE2 TYR 85 HE2 TYR 85 -17.833 22.370 -7.640 604 HH TYR 85 HH TYR 85 -15.823 25.149 -7.690 Start of MODEL 19 1 H SER 7 HT1 SER 7 12.171 10.119 18.737 2 HA SER 7 HA SER 7 10.763 9.309 17.071 3 HB2 SER 7 HB2 SER 7 9.815 11.905 18.295 4 HB3 SER 7 HB1 SER 7 8.813 10.511 17.845 5 HG SER 7 HG SER 7 10.095 9.292 19.403 6 H GLY 8 HN GLY 8 9.988 9.473 15.042 7 HA2 GLY 8 HA2 GLY 8 9.723 12.001 13.691 8 HA3 GLY 8 HA1 GLY 8 11.043 11.003 13.090 9 H ARG 9 HN ARG 9 8.153 9.551 14.367 10 HA ARG 9 HA ARG 9 7.452 8.891 11.618 11 HB2 ARG 9 HB2 ARG 9 7.187 7.080 13.999 12 HB3 ARG 9 HB1 ARG 9 6.673 6.705 12.361 13 HG2 ARG 9 HG2 ARG 9 9.001 6.912 11.615 14 HG3 ARG 9 HG1 ARG 9 9.494 7.172 13.291 15 HD2 ARG 9 HD2 ARG 9 9.824 4.865 12.889 16 HD3 ARG 9 HD1 ARG 9 8.319 5.072 13.810 17 HE ARG 9 HE ARG 9 8.192 4.841 10.917 18 HH11 ARG 9 HH11 ARG 9 7.338 3.543 14.085 19 HH12 ARG 9 HH12 ARG 9 6.406 2.265 13.467 20 HH21 ARG 9 HH21 ARG 9 6.883 3.075 10.063 21 HH22 ARG 9 HH22 ARG 9 6.174 1.973 11.135 22 H GLU 10 HN GLU 10 6.081 10.614 11.617 23 HA GLU 10 HA GLU 10 3.782 10.441 13.409 24 HB2 GLU 10 HB2 GLU 10 4.863 12.786 11.877 25 HB3 GLU 10 HB1 GLU 10 3.488 12.790 12.965 26 HG2 GLU 10 HG2 GLU 10 4.934 12.350 14.840 27 HG3 GLU 10 HG1 GLU 10 6.326 12.218 13.763 28 H ASN 11 HN ASN 11 1.795 10.873 12.446 29 HA ASN 11 HA ASN 11 1.722 10.774 9.527 30 HB2 ASN 11 HB2 ASN 11 -0.130 9.394 11.509 31 HB3 ASN 11 HB1 ASN 11 -0.444 9.504 9.779 32 HD21 ASN 11 HD21 ASN 11 1.517 8.052 12.234 33 HD22 ASN 11 HD22 ASN 11 2.255 6.846 11.236 34 H LEU 12 HN LEU 12 2.010 13.047 10.755 35 HA LEU 12 HA LEU 12 -0.346 14.372 11.660 36 HB2 LEU 12 HB2 LEU 12 1.976 15.104 12.141 37 HB3 LEU 12 HB1 LEU 12 2.148 15.528 10.446 38 HG LEU 12 HG LEU 12 0.206 17.053 10.737 39 HD11 LEU 12 HD11 LEU 12 0.672 16.552 13.662 40 HD12 LEU 12 HD12 LEU 12 -0.770 16.142 12.734 41 HD13 LEU 12 HD13 LEU 12 -0.341 17.828 12.992 42 HD21 LEU 12 HD21 LEU 12 1.545 18.837 11.787 43 HD22 LEU 12 HD22 LEU 12 2.470 17.897 10.615 44 HD23 LEU 12 HD23 LEU 12 2.695 17.617 12.340 45 H TYR 13 HN TYR 13 -1.988 14.936 10.584 46 HA TYR 13 HA TYR 13 -3.416 15.461 9.041 47 HB2 TYR 13 HB2 TYR 13 -2.047 17.369 8.344 48 HB3 TYR 13 HB1 TYR 13 -1.050 16.295 7.363 49 HD1 TYR 13 HD2 TYR 13 -4.667 17.221 7.711 50 HD2 TYR 13 HD1 TYR 13 -1.464 16.265 5.082 51 HE1 TYR 13 HE2 TYR 13 -6.149 17.574 5.775 52 HE2 TYR 13 HE1 TYR 13 -2.938 16.616 3.149 53 HH TYR 13 HH TYR 13 -5.298 16.609 2.626 54 H PHE 14 HN PHE 14 -4.268 13.632 8.802 55 HA PHE 14 HA PHE 14 -3.495 12.061 6.481 56 HB2 PHE 14 HB2 PHE 14 -2.646 10.817 8.397 57 HB3 PHE 14 HB1 PHE 14 -4.193 10.971 9.224 58 HD1 PHE 14 HD2 PHE 14 -2.754 9.634 6.050 59 HD2 PHE 14 HD1 PHE 14 -5.683 9.205 9.108 60 HE1 PHE 14 HE2 PHE 14 -3.501 7.516 5.040 61 HE2 PHE 14 HE1 PHE 14 -6.431 7.090 8.099 62 HZ PHE 14 HZ PHE 14 -5.341 6.247 6.066 63 H GLN 15 HN GLN 15 -5.107 12.271 5.178 64 HA GLN 15 HA GLN 15 -7.764 12.396 6.331 65 HB2 GLN 15 HB2 GLN 15 -7.063 14.449 5.199 66 HB3 GLN 15 HB1 GLN 15 -6.808 13.554 3.709 67 HG2 GLN 15 HG2 GLN 15 -9.177 13.064 3.579 68 HG3 GLN 15 HG1 GLN 15 -9.444 13.862 5.128 69 HE21 GLN 15 HE21 GLN 15 -9.350 16.080 5.244 70 HE22 GLN 15 HE22 GLN 15 -9.397 17.086 3.848 71 H GLY 16 HN GLY 16 -7.887 10.276 6.423 72 HA2 GLY 16 HA2 GLY 16 -7.483 8.511 4.171 73 HA3 GLY 16 HA1 GLY 16 -8.145 8.043 5.731 74 H HIS 17 HN HIS 17 -10.010 10.435 5.251 75 HA HIS 17 HA HIS 17 -11.847 9.105 3.407 76 HB2 HIS 17 HB2 HIS 17 -12.633 8.787 5.716 77 HB3 HIS 17 HB1 HIS 17 -12.483 10.510 6.018 78 HD1 HIS 17 HD1 HIS 17 -14.503 11.965 5.428 79 HD2 HIS 17 HD2 HIS 17 -14.789 8.082 3.962 80 HE1 HIS 17 HE1 HIS 17 -16.838 11.724 4.543 81 H MET 18 HN MET 18 -12.252 10.404 1.753 82 HA MET 18 HA MET 18 -11.419 13.128 1.757 83 HB2 MET 18 HB2 MET 18 -13.081 11.554 -0.211 84 HB3 MET 18 HB1 MET 18 -12.697 13.253 -0.432 85 HG2 MET 18 HG2 MET 18 -10.311 12.674 -0.449 86 HG3 MET 18 HG1 MET 18 -10.739 10.970 -0.288 87 HE1 MET 18 HE1 MET 18 -9.472 11.297 -3.999 88 HE2 MET 18 HE2 MET 18 -9.240 10.489 -2.448 89 HE3 MET 18 HE3 MET 18 -8.881 12.208 -2.608 90 H ALA 19 HN ALA 19 -12.451 14.683 2.766 91 HA ALA 19 HA ALA 19 -15.183 14.320 3.454 92 HB1 ALA 19 HB1 ALA 19 -13.394 16.682 4.041 93 HB2 ALA 19 HB2 ALA 19 -13.597 15.277 5.088 94 HB3 ALA 19 HB3 ALA 19 -14.961 16.352 4.786 95 H ALA 20 HN ALA 20 -13.705 15.194 1.029 96 HA ALA 20 HA ALA 20 -15.990 16.186 -0.373 97 HB1 ALA 20 HB1 ALA 20 -14.870 18.134 -1.389 98 HB2 ALA 20 HB2 ALA 20 -13.460 17.860 -0.367 99 HB3 ALA 20 HB3 ALA 20 -14.996 18.330 0.360 100 HA PRO 21 HA PRO 21 -13.333 13.378 -2.808 101 HB2 PRO 21 HB2 PRO 21 -15.251 11.663 -3.560 102 HB3 PRO 21 HB1 PRO 21 -14.575 11.580 -1.912 103 HG2 PRO 21 HG2 PRO 21 -17.163 12.696 -2.819 104 HG3 PRO 21 HG1 PRO 21 -16.772 11.812 -1.331 105 HD2 PRO 21 HD2 PRO 21 -17.010 14.571 -1.529 106 HD3 PRO 21 HD1 PRO 21 -16.168 13.709 -0.228 107 H ALA 22 HN ALA 22 -13.707 12.704 -5.199 108 HA ALA 22 HA ALA 22 -14.641 14.984 -6.619 109 HB1 ALA 22 HB1 ALA 22 -12.806 13.614 -7.498 110 HB2 ALA 22 HB2 ALA 22 -14.145 13.698 -8.644 111 HB3 ALA 22 HB3 ALA 22 -13.908 12.250 -7.667 112 H ARG 23 HN ARG 23 -16.554 15.397 -7.238 113 HA ARG 23 HA ARG 23 -18.674 13.395 -6.925 114 HB2 ARG 23 HB2 ARG 23 -18.750 16.412 -7.192 115 HB3 ARG 23 HB1 ARG 23 -20.128 15.375 -6.809 116 HG2 ARG 23 HG2 ARG 23 -19.249 14.819 -4.687 117 HG3 ARG 23 HG1 ARG 23 -17.667 15.476 -5.091 118 HD2 ARG 23 HD2 ARG 23 -18.841 16.957 -3.584 119 HD3 ARG 23 HD1 ARG 23 -18.636 17.726 -5.151 120 HE ARG 23 HE ARG 23 -21.099 16.429 -5.094 121 HH11 ARG 23 HH11 ARG 23 -19.491 19.168 -3.541 122 HH12 ARG 23 HH12 ARG 23 -20.898 20.078 -3.314 123 HH21 ARG 23 HH21 ARG 23 -23.053 17.693 -4.853 124 HH22 ARG 23 HH22 ARG 23 -23.006 19.224 -4.120 125 H PHE 24 HN PHE 24 -17.184 15.760 -8.989 126 HA PHE 24 HA PHE 24 -18.159 14.325 -11.323 127 HB2 PHE 24 HB2 PHE 24 -17.955 17.371 -11.109 128 HB3 PHE 24 HB1 PHE 24 -18.253 16.453 -12.573 129 HD1 PHE 24 HD1 PHE 24 -19.744 17.307 -9.270 130 HD2 PHE 24 HD2 PHE 24 -20.409 15.856 -13.216 131 HE1 PHE 24 HE1 PHE 24 -22.169 17.479 -8.923 132 HE2 PHE 24 HE2 PHE 24 -22.834 16.022 -12.869 133 HZ PHE 24 HZ PHE 24 -23.719 16.833 -10.724 134 H CYS 25 HN CYS 25 -16.720 15.088 -13.165 135 HA CYS 25 HA CYS 25 -14.047 15.814 -12.245 136 HB2 CYS 25 HB2 CYS 25 -14.411 13.267 -12.719 137 HB3 CYS 25 HB1 CYS 25 -14.511 13.815 -14.403 138 H VAL 26 HN VAL 26 -13.006 17.068 -13.676 139 HA VAL 26 HA VAL 26 -14.666 18.365 -15.776 140 HB VAL 26 HB VAL 26 -12.095 19.374 -14.572 141 HG11 VAL 26 HG11 VAL 26 -14.378 20.786 -15.902 142 HG12 VAL 26 HG12 VAL 26 -12.796 20.444 -16.600 143 HG13 VAL 26 HG13 VAL 26 -12.937 21.555 -15.239 144 HG21 VAL 26 HG21 VAL 26 -13.563 19.016 -12.696 145 HG22 VAL 26 HG22 VAL 26 -14.866 19.885 -13.508 146 HG23 VAL 26 HG23 VAL 26 -13.410 20.748 -13.008 147 H TYR 27 HN TYR 27 -14.200 17.829 -17.787 148 HA TYR 27 HA TYR 27 -11.514 16.824 -18.353 149 HB2 TYR 27 HB2 TYR 27 -14.115 16.427 -19.817 150 HB3 TYR 27 HB1 TYR 27 -12.539 16.058 -20.521 151 HD1 TYR 27 HD1 TYR 27 -14.526 15.313 -17.430 152 HD2 TYR 27 HD2 TYR 27 -11.714 13.927 -20.290 153 HE1 TYR 27 HE1 TYR 27 -14.546 13.091 -16.373 154 HE2 TYR 27 HE2 TYR 27 -11.729 11.715 -19.248 155 HH TYR 27 HH TYR 27 -14.059 10.769 -16.985 156 H TYR 28 HN TYR 28 -10.304 17.566 -19.969 157 HA TYR 28 HA TYR 28 -11.122 20.093 -21.258 158 HB2 TYR 28 HB2 TYR 28 -8.390 19.505 -20.110 159 HB3 TYR 28 HB1 TYR 28 -8.891 20.967 -20.956 160 HD1 TYR 28 HD2 TYR 28 -9.245 19.009 -17.852 161 HD2 TYR 28 HD1 TYR 28 -9.903 22.744 -19.760 162 HE1 TYR 28 HE2 TYR 28 -9.711 20.033 -15.676 163 HE2 TYR 28 HE1 TYR 28 -10.359 23.779 -17.587 164 HH TYR 28 HH TYR 28 -9.697 22.082 -14.646 165 H ASP 29 HN ASP 29 -10.325 20.374 -23.278 166 HA ASP 29 HA ASP 29 -9.064 18.172 -24.699 167 HB2 ASP 29 HB2 ASP 29 -10.815 19.426 -25.888 168 HB3 ASP 29 HB1 ASP 29 -9.942 20.937 -25.593 169 H GLY 30 HN GLY 30 -6.937 18.030 -24.206 170 HA2 GLY 30 HA2 GLY 30 -4.838 18.981 -24.949 171 HA3 GLY 30 HA1 GLY 30 -5.384 20.531 -24.296 172 H HIS 31 HN HIS 31 -3.129 18.906 -23.677 173 HA HIS 31 HA HIS 31 -3.708 18.146 -20.907 174 HB2 HIS 31 HB2 HIS 31 -1.616 16.802 -20.979 175 HB3 HIS 31 HB1 HIS 31 -2.825 16.277 -22.152 176 HD1 HIS 31 HD1 HIS 31 0.691 17.030 -21.888 177 HD2 HIS 31 HD2 HIS 31 -2.191 17.319 -24.858 178 HE1 HIS 31 HE1 HIS 31 1.944 17.188 -24.084 179 H LEU 32 HN LEU 32 -2.613 20.662 -22.566 180 HA LEU 32 HA LEU 32 -0.530 21.361 -20.650 181 HB2 LEU 32 HB2 LEU 32 -1.228 22.318 -23.356 182 HB3 LEU 32 HB1 LEU 32 -0.688 23.553 -22.243 183 HG LEU 32 HG LEU 32 1.395 22.372 -21.896 184 HD11 LEU 32 HD11 LEU 32 2.009 20.464 -23.334 185 HD12 LEU 32 HD12 LEU 32 0.339 20.387 -23.903 186 HD13 LEU 32 HD13 LEU 32 0.707 20.090 -22.208 187 HD21 LEU 32 HD21 LEU 32 1.285 24.029 -23.645 188 HD22 LEU 32 HD22 LEU 32 0.741 22.812 -24.801 189 HD23 LEU 32 HD23 LEU 32 2.363 22.715 -24.119 190 HA PRO 33 HA PRO 33 -3.524 23.256 -18.087 191 HB2 PRO 33 HB2 PRO 33 -1.789 25.099 -16.895 192 HB3 PRO 33 HB1 PRO 33 -2.092 23.447 -16.330 193 HG2 PRO 33 HG2 PRO 33 0.177 24.482 -17.911 194 HG3 PRO 33 HG1 PRO 33 0.125 23.169 -16.722 195 HD2 PRO 33 HD2 PRO 33 0.283 22.725 -19.356 196 HD3 PRO 33 HD1 PRO 33 -0.581 21.621 -18.257 197 H ALA 34 HN ALA 34 -1.512 25.218 -20.143 198 HA ALA 34 HA ALA 34 -3.124 27.580 -19.754 199 HB1 ALA 34 HB1 ALA 34 -0.711 27.763 -20.185 200 HB2 ALA 34 HB2 ALA 34 -1.665 28.635 -21.382 201 HB3 ALA 34 HB3 ALA 34 -0.962 27.072 -21.789 202 H THR 35 HN THR 35 -2.447 25.522 -22.641 203 HA THR 35 HA THR 35 -4.492 26.856 -24.118 204 HB THR 35 HB THR 35 -3.610 25.202 -25.889 205 HG1 THR 35 HG1 THR 35 -1.940 24.029 -25.325 206 HG21 THR 35 HG21 THR 35 -1.647 26.644 -26.279 207 HG22 THR 35 HG22 THR 35 -1.796 27.284 -24.643 208 HG23 THR 35 HG23 THR 35 -3.059 27.604 -25.830 209 H ARG 36 HN ARG 36 -4.699 24.359 -21.985 210 HA ARG 36 HA ARG 36 -6.297 22.536 -23.446 211 HB2 ARG 36 HB2 ARG 36 -6.812 21.518 -21.284 212 HB3 ARG 36 HB1 ARG 36 -5.142 21.971 -21.351 213 HG2 ARG 36 HG2 ARG 36 -5.537 23.982 -20.067 214 HG3 ARG 36 HG1 ARG 36 -7.251 23.596 -19.969 215 HD2 ARG 36 HD2 ARG 36 -6.747 21.584 -18.711 216 HD3 ARG 36 HD1 ARG 36 -5.014 21.897 -18.864 217 HE ARG 36 HE ARG 36 -6.075 24.173 -17.801 218 HH11 ARG 36 HH11 ARG 36 -5.801 20.788 -16.703 219 HH12 ARG 36 HH12 ARG 36 -5.984 21.215 -15.064 220 HH21 ARG 36 HH21 ARG 36 -6.247 24.678 -15.605 221 HH22 ARG 36 HH22 ARG 36 -6.211 23.447 -14.407 222 H VAL 37 HN VAL 37 -8.459 22.426 -23.695 223 HA VAL 37 HA VAL 37 -9.955 24.886 -23.080 224 HB VAL 37 HB VAL 37 -10.498 22.766 -25.168 225 HG11 VAL 37 HG11 VAL 37 -11.826 25.433 -24.713 226 HG12 VAL 37 HG12 VAL 37 -12.553 23.850 -24.442 227 HG13 VAL 37 HG13 VAL 37 -12.137 24.362 -26.079 228 HG21 VAL 37 HG21 VAL 37 -9.799 24.449 -26.804 229 HG22 VAL 37 HG22 VAL 37 -8.496 24.052 -25.679 230 HG23 VAL 37 HG23 VAL 37 -9.394 25.552 -25.490 231 H LEU 38 HN LEU 38 -11.559 24.744 -21.641 232 HA LEU 38 HA LEU 38 -12.265 22.425 -20.252 233 HB2 LEU 38 HB2 LEU 38 -12.578 24.662 -19.332 234 HB3 LEU 38 HB1 LEU 38 -13.683 25.086 -20.609 235 HG LEU 38 HG LEU 38 -14.683 24.743 -18.306 236 HD11 LEU 38 HD11 LEU 38 -16.669 23.557 -19.041 237 HD12 LEU 38 HD12 LEU 38 -15.817 23.023 -20.490 238 HD13 LEU 38 HD13 LEU 38 -16.129 24.740 -20.233 239 HD21 LEU 38 HD21 LEU 38 -15.110 22.466 -17.572 240 HD22 LEU 38 HD22 LEU 38 -13.379 22.812 -17.644 241 HD23 LEU 38 HD23 LEU 38 -14.140 21.852 -18.910 242 H LEU 39 HN LEU 39 -13.595 20.751 -20.821 243 HA LEU 39 HA LEU 39 -15.260 21.157 -23.184 244 HB2 LEU 39 HB2 LEU 39 -14.216 18.610 -21.966 245 HB3 LEU 39 HB1 LEU 39 -15.293 18.681 -23.346 246 HG LEU 39 HG LEU 39 -12.482 19.787 -23.263 247 HD11 LEU 39 HD11 LEU 39 -11.960 17.960 -24.797 248 HD12 LEU 39 HD12 LEU 39 -13.606 17.353 -24.639 249 HD13 LEU 39 HD13 LEU 39 -12.529 17.360 -23.240 250 HD21 LEU 39 HD21 LEU 39 -14.471 19.601 -25.530 251 HD22 LEU 39 HD22 LEU 39 -12.786 20.077 -25.695 252 HD23 LEU 39 HD23 LEU 39 -13.893 21.084 -24.769 253 H MET 40 HN MET 40 -15.482 19.238 -20.094 254 HA MET 40 HA MET 40 -17.997 20.234 -19.384 255 HB2 MET 40 HB2 MET 40 -19.448 18.325 -19.879 256 HB3 MET 40 HB1 MET 40 -18.887 19.128 -21.352 257 HG2 MET 40 HG2 MET 40 -17.371 17.374 -21.801 258 HG3 MET 40 HG1 MET 40 -17.648 16.655 -20.220 259 HE1 MET 40 HE1 MET 40 -19.176 17.474 -23.722 260 HE2 MET 40 HE2 MET 40 -20.383 18.174 -22.641 261 HE3 MET 40 HE3 MET 40 -20.781 16.753 -23.609 262 H TYR 41 HN TYR 41 -19.086 18.972 -17.849 263 HA TYR 41 HA TYR 41 -17.175 17.771 -16.005 264 HB2 TYR 41 HB2 TYR 41 -19.917 18.981 -15.597 265 HB3 TYR 41 HB1 TYR 41 -19.001 18.166 -14.326 266 HD1 TYR 41 HD1 TYR 41 -18.879 21.066 -16.682 267 HD2 TYR 41 HD2 TYR 41 -17.465 19.379 -13.039 268 HE1 TYR 41 HE1 TYR 41 -17.794 23.199 -16.118 269 HE2 TYR 41 HE2 TYR 41 -16.378 21.510 -12.473 270 HH TYR 41 HH TYR 41 -17.047 24.371 -14.113 271 H VAL 42 HN VAL 42 -17.280 15.721 -15.596 272 HA VAL 42 HA VAL 42 -19.589 14.104 -16.516 273 HB VAL 42 HB VAL 42 -16.699 13.294 -16.109 274 HG11 VAL 42 HG11 VAL 42 -17.317 11.178 -17.180 275 HG12 VAL 42 HG12 VAL 42 -19.002 11.703 -17.240 276 HG13 VAL 42 HG13 VAL 42 -18.215 11.444 -15.688 277 HG21 VAL 42 HG21 VAL 42 -18.235 13.825 -18.645 278 HG22 VAL 42 HG22 VAL 42 -16.651 13.057 -18.579 279 HG23 VAL 42 HG23 VAL 42 -16.847 14.718 -18.027 280 H ARG 43 HN ARG 43 -20.640 12.951 -14.932 281 HA ARG 43 HA ARG 43 -19.776 13.507 -12.280 282 HB2 ARG 43 HB2 ARG 43 -22.165 13.537 -12.908 283 HB3 ARG 43 HB1 ARG 43 -22.087 11.798 -13.169 284 HG2 ARG 43 HG2 ARG 43 -21.213 11.646 -10.791 285 HG3 ARG 43 HG1 ARG 43 -21.752 13.320 -10.640 286 HD2 ARG 43 HD2 ARG 43 -24.018 12.666 -11.130 287 HD3 ARG 43 HD1 ARG 43 -23.410 11.031 -11.498 288 HE ARG 43 HE ARG 43 -22.941 12.056 -8.826 289 HH11 ARG 43 HH11 ARG 43 -24.820 9.883 -10.898 290 HH12 ARG 43 HH12 ARG 43 -25.310 8.880 -9.613 291 HH21 ARG 43 HH21 ARG 43 -23.586 10.666 -7.080 292 HH22 ARG 43 HH22 ARG 43 -24.580 9.337 -7.384 293 H ILE 44 HN ILE 44 -19.118 12.147 -10.840 294 HA ILE 44 HA ILE 44 -17.635 9.829 -11.710 295 HB ILE 44 HB ILE 44 -18.008 10.978 -8.928 296 HG12 ILE 44 HG12 ILE 44 -16.746 12.316 -10.574 297 HG13 ILE 44 HG11 ILE 44 -15.779 11.876 -9.154 298 HG21 ILE 44 HG21 ILE 44 -16.155 8.767 -9.813 299 HG22 ILE 44 HG22 ILE 44 -17.585 8.573 -8.809 300 HG23 ILE 44 HG23 ILE 44 -16.204 9.493 -8.204 301 HD11 ILE 44 HD11 ILE 44 -14.803 10.041 -10.599 302 HD12 ILE 44 HD12 ILE 44 -14.411 11.684 -11.093 303 HD13 ILE 44 HD13 ILE 44 -15.647 10.783 -11.968 304 H GLY 45 HN GLY 45 -18.432 7.959 -11.912 305 HA2 GLY 45 HA2 GLY 45 -19.508 6.021 -11.003 306 HA3 GLY 45 HA1 GLY 45 -20.663 7.096 -10.208 307 H THR 46 HN THR 46 -20.061 8.502 -13.071 308 HA THR 46 HA THR 46 -22.280 7.170 -14.511 309 HB THR 46 HB THR 46 -21.597 9.972 -14.736 310 HG1 THR 46 HG1 THR 46 -22.227 8.798 -12.418 311 HG21 THR 46 HG21 THR 46 -24.046 10.212 -14.905 312 HG22 THR 46 HG22 THR 46 -24.178 8.455 -14.680 313 HG23 THR 46 HG23 THR 46 -23.348 9.117 -16.105 314 H THR 47 HN THR 47 -22.205 7.889 -16.699 315 HA THR 47 HA THR 47 -19.493 8.041 -17.821 316 HB THR 47 HB THR 47 -20.499 7.057 -19.827 317 HG1 THR 47 HG1 THR 47 -22.571 7.150 -19.860 318 HG21 THR 47 HG21 THR 47 -20.698 5.367 -17.326 319 HG22 THR 47 HG22 THR 47 -19.317 5.493 -18.434 320 HG23 THR 47 HG23 THR 47 -20.793 4.708 -18.950 321 H ALA 48 HN ALA 48 -19.373 9.235 -19.723 322 HA ALA 48 HA ALA 48 -21.577 10.973 -20.482 323 HB1 ALA 48 HB1 ALA 48 -19.050 12.199 -19.432 324 HB2 ALA 48 HB2 ALA 48 -20.622 12.234 -18.619 325 HB3 ALA 48 HB3 ALA 48 -20.397 13.080 -20.152 326 H THR 49 HN THR 49 -21.316 12.010 -22.425 327 HA THR 49 HA THR 49 -19.369 10.742 -24.165 328 HB THR 49 HB THR 49 -21.652 12.578 -24.919 329 HG1 THR 49 HG1 THR 49 -21.595 9.790 -24.379 330 HG21 THR 49 HG21 THR 49 -21.522 11.373 -27.062 331 HG22 THR 49 HG22 THR 49 -20.203 10.386 -26.432 332 HG23 THR 49 HG23 THR 49 -19.973 12.118 -26.669 333 H ILE 50 HN ILE 50 -17.483 11.872 -24.235 334 HA ILE 50 HA ILE 50 -17.476 14.809 -24.301 335 HB ILE 50 HB ILE 50 -15.175 12.909 -24.706 336 HG12 ILE 50 HG12 ILE 50 -16.229 12.325 -22.551 337 HG13 ILE 50 HG11 ILE 50 -14.614 13.005 -22.325 338 HG21 ILE 50 HG21 ILE 50 -15.247 15.750 -23.733 339 HG22 ILE 50 HG22 ILE 50 -14.733 15.186 -25.320 340 HG23 ILE 50 HG23 ILE 50 -13.792 14.763 -23.888 341 HD11 ILE 50 HD11 ILE 50 -15.651 15.145 -21.708 342 HD12 ILE 50 HD12 ILE 50 -16.162 13.829 -20.653 343 HD13 ILE 50 HD13 ILE 50 -17.245 14.420 -21.914 344 H THR 51 HN THR 51 -16.905 15.771 -26.252 345 HA THR 51 HA THR 51 -16.325 14.038 -28.550 346 HB THR 51 HB THR 51 -18.362 16.285 -28.803 347 HG1 THR 51 HG1 THR 51 -18.798 14.176 -27.517 348 HG21 THR 51 HG21 THR 51 -18.880 15.177 -30.934 349 HG22 THR 51 HG22 THR 51 -17.675 13.939 -30.589 350 HG23 THR 51 HG23 THR 51 -17.170 15.603 -30.861 351 H ALA 52 HN ALA 52 -14.366 14.731 -29.075 352 HA ALA 52 HA ALA 52 -13.942 17.606 -29.463 353 HB1 ALA 52 HB1 ALA 52 -12.926 17.069 -27.313 354 HB2 ALA 52 HB2 ALA 52 -11.653 17.377 -28.502 355 HB3 ALA 52 HB3 ALA 52 -12.057 15.723 -28.038 356 H ARG 53 HN ARG 53 -12.912 18.082 -31.295 357 HA ARG 53 HA ARG 53 -12.292 17.859 -33.441 358 HB2 ARG 53 HB2 ARG 53 -10.613 15.640 -32.269 359 HB3 ARG 53 HB1 ARG 53 -10.499 16.134 -33.966 360 HG2 ARG 53 HG2 ARG 53 -10.000 18.432 -33.153 361 HG3 ARG 53 HG1 ARG 53 -9.937 17.733 -31.523 362 HD2 ARG 53 HD2 ARG 53 -8.235 16.772 -33.829 363 HD3 ARG 53 HD1 ARG 53 -7.708 18.040 -32.723 364 HE ARG 53 HE ARG 53 -8.100 16.247 -30.969 365 HH11 ARG 53 HH11 ARG 53 -7.064 15.438 -34.248 366 HH12 ARG 53 HH12 ARG 53 -5.929 14.260 -33.799 367 HH21 ARG 53 HH21 ARG 53 -6.511 14.559 -30.317 368 HH22 ARG 53 HH22 ARG 53 -5.629 13.742 -31.526 369 H GLY 54 HN GLY 54 -14.555 16.491 -32.491 370 HA2 GLY 54 HA2 GLY 54 -16.299 15.434 -33.651 371 HA3 GLY 54 HA1 GLY 54 -15.132 14.967 -34.896 372 H HIS 55 HN HIS 55 -13.716 14.072 -32.079 373 HA HIS 55 HA HIS 55 -14.587 11.357 -32.500 374 HB2 HIS 55 HB2 HIS 55 -12.303 12.489 -30.872 375 HB3 HIS 55 HB1 HIS 55 -12.671 10.765 -31.019 376 HD1 HIS 55 HD1 HIS 55 -11.884 9.594 -33.197 377 HD2 HIS 55 HD2 HIS 55 -11.178 13.690 -33.134 378 HE1 HIS 55 HE1 HIS 55 -10.390 10.079 -35.152 379 H GLU 56 HN GLU 56 -15.761 10.276 -31.119 380 HA GLU 56 HA GLU 56 -16.848 11.710 -28.826 381 HB2 GLU 56 HB2 GLU 56 -17.740 9.203 -30.224 382 HB3 GLU 56 HB1 GLU 56 -18.556 9.964 -28.854 383 HG2 GLU 56 HG2 GLU 56 -19.018 11.896 -30.160 384 HG3 GLU 56 HG1 GLU 56 -18.113 11.256 -31.527 385 H PHE 57 HN PHE 57 -16.071 11.224 -26.918 386 HA PHE 57 HA PHE 57 -14.927 8.576 -26.494 387 HB2 PHE 57 HB2 PHE 57 -14.333 11.126 -24.990 388 HB3 PHE 57 HB1 PHE 57 -13.515 9.570 -24.861 389 HD1 PHE 57 HD2 PHE 57 -12.215 8.751 -26.902 390 HD2 PHE 57 HD1 PHE 57 -13.594 12.748 -26.455 391 HE1 PHE 57 HE2 PHE 57 -10.605 9.497 -28.606 392 HE2 PHE 57 HE1 PHE 57 -11.999 13.499 -28.154 393 HZ PHE 57 HZ PHE 57 -10.500 11.880 -29.235 394 H GLU 58 HN GLU 58 -16.611 7.506 -25.560 395 HA GLU 58 HA GLU 58 -18.234 8.881 -23.598 396 HB2 GLU 58 HB2 GLU 58 -19.206 7.135 -25.117 397 HB3 GLU 58 HB1 GLU 58 -18.134 5.946 -24.371 398 HG2 GLU 58 HG2 GLU 58 -20.306 5.655 -23.445 399 HG3 GLU 58 HG1 GLU 58 -19.297 6.383 -22.207 400 H VAL 59 HN VAL 59 -17.259 9.252 -21.795 401 HA VAL 59 HA VAL 59 -15.130 7.474 -20.953 402 HB VAL 59 HB VAL 59 -14.483 9.250 -19.340 403 HG11 VAL 59 HG11 VAL 59 -13.444 9.222 -21.527 404 HG12 VAL 59 HG12 VAL 59 -13.663 10.885 -20.980 405 HG13 VAL 59 HG13 VAL 59 -14.755 10.201 -22.185 406 HG21 VAL 59 HG21 VAL 59 -15.480 11.478 -19.482 407 HG22 VAL 59 HG22 VAL 59 -16.678 10.273 -18.987 408 HG23 VAL 59 HG23 VAL 59 -16.669 10.881 -20.641 409 H GLU 60 HN GLU 60 -15.188 6.431 -19.118 410 HA GLU 60 HA GLU 60 -17.746 6.276 -17.743 411 HB2 GLU 60 HB2 GLU 60 -17.065 4.345 -19.072 412 HB3 GLU 60 HB1 GLU 60 -15.528 4.274 -18.205 413 HG2 GLU 60 HG2 GLU 60 -16.771 3.722 -16.169 414 HG3 GLU 60 HG1 GLU 60 -18.275 3.758 -17.097 415 H ALA 61 HN ALA 61 -17.524 7.524 -16.031 416 HA ALA 61 HA ALA 61 -14.962 7.776 -14.734 417 HB1 ALA 61 HB1 ALA 61 -16.373 9.762 -15.005 418 HB2 ALA 61 HB2 ALA 61 -16.019 9.420 -13.311 419 HB3 ALA 61 HB3 ALA 61 -17.604 9.021 -13.979 420 H LYS 62 HN LYS 62 -14.531 5.885 -13.905 421 HA LYS 62 HA LYS 62 -16.345 4.396 -12.228 422 HB2 LYS 62 HB2 LYS 62 -13.560 4.078 -13.171 423 HB3 LYS 62 HB1 LYS 62 -14.153 3.064 -11.847 424 HG2 LYS 62 HG2 LYS 62 -15.426 3.373 -14.514 425 HG3 LYS 62 HG1 LYS 62 -14.135 2.211 -14.099 426 HD2 LYS 62 HD2 LYS 62 -15.514 1.119 -12.494 427 HD3 LYS 62 HD1 LYS 62 -16.726 2.394 -12.552 428 HE2 LYS 62 HE2 LYS 62 -17.564 0.489 -13.765 429 HE3 LYS 62 HE1 LYS 62 -17.140 1.858 -14.818 430 HZ1 LYS 62 HZ1 LYS 62 -15.342 0.792 -15.696 431 HZ2 LYS 62 HZ2 LYS 62 -16.450 -0.448 -15.580 432 HZ3 LYS 62 HZ3 LYS 62 -15.204 -0.350 -14.452 433 H ASP 63 HN ASP 63 -13.214 5.948 -11.686 434 HA ASP 63 HA ASP 63 -13.730 5.591 -8.852 435 HB2 ASP 63 HB2 ASP 63 -11.842 4.348 -9.729 436 HB3 ASP 63 HB1 ASP 63 -11.161 5.826 -10.391 437 H GLN 64 HN GLN 64 -13.569 7.204 -7.495 438 HA GLN 64 HA GLN 64 -13.997 9.834 -8.421 439 HB2 GLN 64 HB2 GLN 64 -14.108 10.423 -6.010 440 HB3 GLN 64 HB1 GLN 64 -15.153 9.091 -6.468 441 HG2 GLN 64 HG2 GLN 64 -13.505 7.511 -5.570 442 HG3 GLN 64 HG1 GLN 64 -12.497 8.871 -5.088 443 HE21 GLN 64 HE21 GLN 64 -16.018 8.874 -4.836 444 HE22 GLN 64 HE22 GLN 64 -16.043 8.851 -3.115 445 H ASN 65 HN ASN 65 -11.119 8.434 -8.546 446 HA ASN 65 HA ASN 65 -9.753 10.898 -7.765 447 HB2 ASN 65 HB2 ASN 65 -8.668 8.164 -8.495 448 HB3 ASN 65 HB1 ASN 65 -7.662 9.595 -8.250 449 HD21 ASN 65 HD21 ASN 65 -9.612 7.205 -6.797 450 HD22 ASN 65 HD22 ASN 65 -9.148 7.461 -5.148 451 H CYS 66 HN CYS 66 -11.475 9.796 -10.196 452 HA CYS 66 HA CYS 66 -11.766 10.401 -12.290 453 HB2 CYS 66 HB2 CYS 66 -9.497 12.295 -11.723 454 HB3 CYS 66 HB1 CYS 66 -10.211 12.152 -13.341 455 H LYS 67 HN LYS 67 -10.429 8.101 -11.614 456 HA LYS 67 HA LYS 67 -8.336 7.590 -13.311 457 HB2 LYS 67 HB2 LYS 67 -9.473 6.182 -11.368 458 HB3 LYS 67 HB1 LYS 67 -10.480 5.643 -12.711 459 HG2 LYS 67 HG2 LYS 67 -8.782 4.009 -12.177 460 HG3 LYS 67 HG1 LYS 67 -8.560 4.668 -13.803 461 HD2 LYS 67 HD2 LYS 67 -7.289 6.153 -11.709 462 HD3 LYS 67 HD1 LYS 67 -6.583 4.518 -11.912 463 HE2 LYS 67 HE2 LYS 67 -6.251 5.028 -14.252 464 HE3 LYS 67 HE1 LYS 67 -7.075 6.562 -14.042 465 HZ1 LYS 67 HZ1 LYS 67 -4.671 6.890 -14.053 466 HZ2 LYS 67 HZ2 LYS 67 -4.470 5.710 -12.884 467 HZ3 LYS 67 HZ3 LYS 67 -5.193 7.170 -12.465 468 H VAL 68 HN VAL 68 -8.669 8.183 -15.411 469 HA VAL 68 HA VAL 68 -11.302 8.076 -16.496 470 HB VAL 68 HB VAL 68 -10.023 10.068 -16.976 471 HG11 VAL 68 HG11 VAL 68 -8.094 8.334 -18.491 472 HG12 VAL 68 HG12 VAL 68 -7.774 9.206 -16.991 473 HG13 VAL 68 HG13 VAL 68 -8.094 10.098 -18.480 474 HG21 VAL 68 HG21 VAL 68 -10.573 8.428 -19.432 475 HG22 VAL 68 HG22 VAL 68 -10.300 10.167 -19.441 476 HG23 VAL 68 HG23 VAL 68 -11.699 9.497 -18.596 477 H ILE 69 HN ILE 69 -12.117 6.393 -17.169 478 HA ILE 69 HA ILE 69 -10.618 4.582 -18.907 479 HB ILE 69 HB ILE 69 -12.766 3.923 -16.848 480 HG12 ILE 69 HG12 ILE 69 -9.891 3.028 -16.913 481 HG13 ILE 69 HG11 ILE 69 -10.452 4.436 -16.027 482 HG21 ILE 69 HG21 ILE 69 -12.395 1.575 -17.461 483 HG22 ILE 69 HG22 ILE 69 -11.251 2.078 -18.708 484 HG23 ILE 69 HG23 ILE 69 -12.955 2.513 -18.846 485 HD11 ILE 69 HD11 ILE 69 -10.192 2.472 -14.583 486 HD12 ILE 69 HD12 ILE 69 -11.350 1.584 -15.581 487 HD13 ILE 69 HD13 ILE 69 -11.872 2.995 -14.656 488 H LEU 70 HN LEU 70 -11.666 4.227 -20.741 489 HA LEU 70 HA LEU 70 -14.277 5.518 -21.064 490 HB2 LEU 70 HB2 LEU 70 -12.115 4.832 -22.985 491 HB3 LEU 70 HB1 LEU 70 -13.740 5.070 -23.575 492 HG LEU 70 HG LEU 70 -13.629 7.403 -22.836 493 HD11 LEU 70 HD11 LEU 70 -11.506 8.362 -22.093 494 HD12 LEU 70 HD12 LEU 70 -10.792 6.750 -22.054 495 HD13 LEU 70 HD13 LEU 70 -12.103 7.162 -20.945 496 HD21 LEU 70 HD21 LEU 70 -11.949 8.160 -24.453 497 HD22 LEU 70 HD22 LEU 70 -12.968 6.868 -25.078 498 HD23 LEU 70 HD23 LEU 70 -11.324 6.514 -24.546 499 H THR 71 HN THR 71 -15.573 4.429 -22.778 500 HA THR 71 HA THR 71 -16.282 1.877 -21.692 501 HB THR 71 HB THR 71 -18.170 2.069 -23.377 502 HG1 THR 71 HG1 THR 71 -18.316 3.928 -24.531 503 HG21 THR 71 HG21 THR 71 -18.415 2.753 -21.022 504 HG22 THR 71 HG22 THR 71 -19.304 3.839 -22.089 505 HG23 THR 71 HG23 THR 71 -17.751 4.338 -21.420 506 H ASN 72 HN ASN 72 -14.349 2.939 -24.181 507 HA ASN 72 HA ASN 72 -14.633 0.578 -25.807 508 HB2 ASN 72 HB2 ASN 72 -12.986 1.604 -27.251 509 HB3 ASN 72 HB1 ASN 72 -14.203 2.818 -26.835 510 HD21 ASN 72 HD21 ASN 72 -11.722 3.472 -27.843 511 HD22 ASN 72 HD22 ASN 72 -10.817 4.300 -26.623 512 H GLY 73 HN GLY 73 -13.191 1.395 -22.951 513 HA2 GLY 73 HA2 GLY 73 -12.114 -0.097 -21.601 514 HA3 GLY 73 HA1 GLY 73 -11.558 -0.985 -23.028 515 H LYS 74 HN LYS 74 -11.135 2.359 -23.421 516 HA LYS 74 HA LYS 74 -8.336 1.868 -22.882 517 HB2 LYS 74 HB2 LYS 74 -9.615 3.879 -24.721 518 HB3 LYS 74 HB1 LYS 74 -7.890 3.713 -24.442 519 HG2 LYS 74 HG2 LYS 74 -9.705 1.627 -25.655 520 HG3 LYS 74 HG1 LYS 74 -8.552 2.635 -26.529 521 HD2 LYS 74 HD2 LYS 74 -6.703 1.594 -25.315 522 HD3 LYS 74 HD1 LYS 74 -7.842 0.627 -24.383 523 HE2 LYS 74 HE2 LYS 74 -6.894 -0.701 -26.176 524 HE3 LYS 74 HE1 LYS 74 -8.619 -0.443 -26.428 525 HZ1 LYS 74 HZ1 LYS 74 -6.423 1.021 -27.817 526 HZ2 LYS 74 HZ2 LYS 74 -8.053 1.331 -27.994 527 HZ3 LYS 74 HZ3 LYS 74 -7.443 -0.146 -28.488 528 H GLN 75 HN GLN 75 -7.072 3.518 -22.063 529 HA GLN 75 HA GLN 75 -8.441 4.909 -19.917 530 HB2 GLN 75 HB2 GLN 75 -5.524 4.382 -20.422 531 HB3 GLN 75 HB1 GLN 75 -6.103 5.361 -19.092 532 HG2 GLN 75 HG2 GLN 75 -7.409 3.417 -18.286 533 HG3 GLN 75 HG1 GLN 75 -6.684 2.452 -19.569 534 HE21 GLN 75 HE21 GLN 75 -6.074 4.226 -16.646 535 HE22 GLN 75 HE22 GLN 75 -4.597 3.470 -16.220 536 H ALA 76 HN ALA 76 -8.714 5.944 -22.534 537 HA ALA 76 HA ALA 76 -9.077 7.955 -23.475 538 HB1 ALA 76 HB1 ALA 76 -8.770 10.027 -22.254 539 HB2 ALA 76 HB2 ALA 76 -7.833 9.181 -21.023 540 HB3 ALA 76 HB3 ALA 76 -9.543 8.806 -21.244 541 HA PRO 77 HA PRO 77 -5.480 9.270 -25.823 542 HB2 PRO 77 HB2 PRO 77 -6.934 11.874 -25.774 543 HB3 PRO 77 HB1 PRO 77 -6.309 10.971 -27.177 544 HG2 PRO 77 HG2 PRO 77 -8.876 11.033 -26.735 545 HG3 PRO 77 HG1 PRO 77 -8.076 9.515 -27.219 546 HD2 PRO 77 HD2 PRO 77 -9.063 10.321 -24.523 547 HD3 PRO 77 HD1 PRO 77 -9.093 8.743 -25.347 548 H ASP 78 HN ASP 78 -3.662 10.505 -25.424 549 HA ASP 78 HA ASP 78 -3.134 11.118 -22.720 550 HB2 ASP 78 HB2 ASP 78 -0.905 11.804 -23.439 551 HB3 ASP 78 HB1 ASP 78 -1.379 10.301 -24.216 552 H TRP 79 HN TRP 79 -4.336 13.018 -25.264 553 HA TRP 79 HA TRP 79 -3.609 15.514 -24.001 554 HB2 TRP 79 HB2 TRP 79 -4.731 16.545 -25.998 555 HB3 TRP 79 HB1 TRP 79 -3.385 15.468 -26.381 556 HD1 TRP 79 HD1 TRP 79 -3.896 13.405 -27.751 557 HE1 TRP 79 HE1 TRP 79 -5.956 12.568 -29.072 558 HE3 TRP 79 HE3 TRP 79 -7.379 16.591 -25.873 559 HZ2 TRP 79 HZ2 TRP 79 -8.686 13.209 -29.280 560 HZ3 TRP 79 HZ3 TRP 79 -9.696 16.428 -26.683 561 HH2 TRP 79 HH2 TRP 79 -10.327 14.763 -28.356 562 H LEU 80 HN LEU 80 -6.022 13.320 -23.489 563 HA LEU 80 HA LEU 80 -8.055 15.345 -23.057 564 HB2 LEU 80 HB2 LEU 80 -8.697 13.188 -24.113 565 HB3 LEU 80 HB1 LEU 80 -8.154 12.341 -22.665 566 HG LEU 80 HG LEU 80 -9.905 13.461 -21.371 567 HD11 LEU 80 HD11 LEU 80 -11.714 14.664 -22.536 568 HD12 LEU 80 HD12 LEU 80 -10.790 14.581 -24.036 569 HD13 LEU 80 HD13 LEU 80 -10.168 15.499 -22.665 570 HD21 LEU 80 HD21 LEU 80 -10.373 11.269 -22.286 571 HD22 LEU 80 HD22 LEU 80 -10.890 11.985 -23.811 572 HD23 LEU 80 HD23 LEU 80 -11.831 12.257 -22.347 573 H ALA 81 HN ALA 81 -8.147 16.306 -21.139 574 HA ALA 81 HA ALA 81 -6.627 15.061 -18.958 575 HB1 ALA 81 HB1 ALA 81 -7.207 17.979 -19.426 576 HB2 ALA 81 HB2 ALA 81 -5.676 17.169 -19.763 577 HB3 ALA 81 HB3 ALA 81 -6.260 17.300 -18.103 578 H ALA 82 HN ALA 82 -7.429 15.153 -16.901 579 HA ALA 82 HA ALA 82 -10.210 15.972 -16.547 580 HB1 ALA 82 HB1 ALA 82 -9.148 13.240 -15.831 581 HB2 ALA 82 HB2 ALA 82 -10.265 13.600 -17.147 582 HB3 ALA 82 HB3 ALA 82 -10.764 13.842 -15.472 583 H GLU 83 HN GLU 83 -10.583 16.869 -14.612 584 HA GLU 83 HA GLU 83 -8.620 16.525 -12.453 585 HB2 GLU 83 HB2 GLU 83 -10.083 19.097 -13.113 586 HB3 GLU 83 HB1 GLU 83 -8.940 18.863 -11.802 587 HG2 GLU 83 HG2 GLU 83 -7.192 18.402 -13.481 588 HG3 GLU 83 HG1 GLU 83 -8.345 18.793 -14.748 589 HA PRO 84 HA PRO 84 -12.262 15.181 -10.257 590 HB2 PRO 84 HB2 PRO 84 -11.252 15.438 -7.720 591 HB3 PRO 84 HB1 PRO 84 -10.793 14.108 -8.804 592 HG2 PRO 84 HG2 PRO 84 -9.381 16.667 -8.257 593 HG3 PRO 84 HG1 PRO 84 -8.735 15.009 -8.308 594 HD2 PRO 84 HD2 PRO 84 -8.400 16.557 -10.408 595 HD3 PRO 84 HD1 PRO 84 -8.911 14.844 -10.557 596 H TYR 85 HN TYR 85 -14.075 16.287 -9.784 597 HA TYR 85 HA TYR 85 -13.818 18.987 -8.719 598 HB2 TYR 85 HB2 TYR 85 -14.755 18.974 -10.962 599 HB3 TYR 85 HB1 TYR 85 -15.961 17.773 -10.474 600 HD1 TYR 85 HD1 TYR 85 -14.877 21.289 -10.033 601 HD2 TYR 85 HD2 TYR 85 -17.996 18.462 -9.470 602 HE1 TYR 85 HE1 TYR 85 -16.428 23.109 -9.483 603 HE2 TYR 85 HE2 TYR 85 -19.551 20.260 -8.922 604 HH TYR 85 HH TYR 85 -18.748 23.541 -9.478 Start of MODEL 20 1 H SER 7 HT1 SER 7 -30.420 -9.005 -21.191 2 HA SER 7 HA SER 7 -29.351 -6.881 -21.305 3 HB2 SER 7 HB2 SER 7 -32.164 -6.909 -22.426 4 HB3 SER 7 HB1 SER 7 -30.752 -6.068 -23.095 5 HG SER 7 HG SER 7 -30.609 -7.837 -24.216 6 H GLY 8 HN GLY 8 -29.651 -4.541 -21.110 7 HA2 GLY 8 HA2 GLY 8 -31.485 -2.932 -20.292 8 HA3 GLY 8 HA1 GLY 8 -31.293 -3.859 -18.801 9 H ARG 9 HN ARG 9 -30.709 -1.446 -18.254 10 HA ARG 9 HA ARG 9 -27.793 -1.299 -18.451 11 HB2 ARG 9 HB2 ARG 9 -29.645 1.097 -18.377 12 HB3 ARG 9 HB1 ARG 9 -27.896 1.139 -18.437 13 HG2 ARG 9 HG2 ARG 9 -27.983 0.114 -20.679 14 HG3 ARG 9 HG1 ARG 9 -29.747 0.177 -20.598 15 HD2 ARG 9 HD2 ARG 9 -29.528 2.656 -20.216 16 HD3 ARG 9 HD1 ARG 9 -27.815 2.487 -20.600 17 HE ARG 9 HE ARG 9 -29.697 1.449 -22.517 18 HH11 ARG 9 HH11 ARG 9 -27.445 4.047 -21.703 19 HH12 ARG 9 HH12 ARG 9 -27.527 4.827 -23.203 20 HH21 ARG 9 HH21 ARG 9 -29.879 2.532 -24.597 21 HH22 ARG 9 HH22 ARG 9 -28.972 3.948 -24.882 22 H GLU 10 HN GLU 10 -27.661 -2.349 -16.518 23 HA GLU 10 HA GLU 10 -29.021 -1.259 -14.227 24 HB2 GLU 10 HB2 GLU 10 -28.688 -3.671 -14.385 25 HB3 GLU 10 HB1 GLU 10 -26.943 -3.444 -14.429 26 HG2 GLU 10 HG2 GLU 10 -27.041 -2.512 -12.153 27 HG3 GLU 10 HG1 GLU 10 -28.778 -2.819 -12.119 28 H ASN 11 HN ASN 11 -28.329 0.713 -13.986 29 HA ASN 11 HA ASN 11 -25.466 1.313 -13.686 30 HB2 ASN 11 HB2 ASN 11 -26.792 2.754 -15.196 31 HB3 ASN 11 HB1 ASN 11 -27.879 3.142 -13.873 32 HD21 ASN 11 HD21 ASN 11 -24.340 2.973 -13.811 33 HD22 ASN 11 HD22 ASN 11 -24.104 4.633 -13.396 34 H LEU 12 HN LEU 12 -28.407 0.928 -11.949 35 HA LEU 12 HA LEU 12 -27.667 2.541 -9.713 36 HB2 LEU 12 HB2 LEU 12 -30.013 2.187 -10.379 37 HB3 LEU 12 HB1 LEU 12 -29.862 0.507 -9.893 38 HG LEU 12 HG LEU 12 -29.225 1.332 -7.631 39 HD11 LEU 12 HD11 LEU 12 -28.598 3.589 -8.125 40 HD12 LEU 12 HD12 LEU 12 -29.953 3.599 -6.994 41 HD13 LEU 12 HD13 LEU 12 -30.226 3.955 -8.697 42 HD21 LEU 12 HD21 LEU 12 -31.416 0.414 -8.061 43 HD22 LEU 12 HD22 LEU 12 -31.982 1.977 -8.650 44 HD23 LEU 12 HD23 LEU 12 -31.556 1.774 -6.948 45 H TYR 13 HN TYR 13 -25.769 1.852 -9.001 46 HA TYR 13 HA TYR 13 -25.872 -0.569 -7.395 47 HB2 TYR 13 HB2 TYR 13 -23.504 0.892 -8.592 48 HB3 TYR 13 HB1 TYR 13 -23.375 -0.440 -7.454 49 HD1 TYR 13 HD1 TYR 13 -24.529 -2.646 -8.173 50 HD2 TYR 13 HD2 TYR 13 -23.512 0.454 -10.885 51 HE1 TYR 13 HE1 TYR 13 -24.625 -4.251 -10.021 52 HE2 TYR 13 HE2 TYR 13 -23.604 -1.145 -12.749 53 HH TYR 13 HH TYR 13 -25.009 -4.211 -12.385 54 H PHE 14 HN PHE 14 -25.648 -0.190 -5.202 55 HA PHE 14 HA PHE 14 -25.770 2.563 -4.480 56 HB2 PHE 14 HB2 PHE 14 -26.132 1.816 -2.138 57 HB3 PHE 14 HB1 PHE 14 -27.237 1.046 -3.261 58 HD1 PHE 14 HD2 PHE 14 -26.971 -1.349 -3.786 59 HD2 PHE 14 HD1 PHE 14 -24.569 0.559 -0.840 60 HE1 PHE 14 HE2 PHE 14 -26.355 -3.543 -2.873 61 HE2 PHE 14 HE1 PHE 14 -23.952 -1.635 0.079 62 HZ PHE 14 HZ PHE 14 -24.845 -3.688 -0.939 63 H GLN 15 HN GLN 15 -24.183 3.811 -4.040 64 HA GLN 15 HA GLN 15 -21.564 2.640 -3.717 65 HB2 GLN 15 HB2 GLN 15 -22.076 4.457 -5.376 66 HB3 GLN 15 HB1 GLN 15 -22.315 5.552 -4.022 67 HG2 GLN 15 HG2 GLN 15 -20.004 5.265 -3.370 68 HG3 GLN 15 HG1 GLN 15 -19.780 4.085 -4.663 69 HE21 GLN 15 HE21 GLN 15 -18.183 5.297 -5.603 70 HE22 GLN 15 HE22 GLN 15 -18.508 6.747 -6.485 71 H GLY 16 HN GLY 16 -22.104 1.847 -1.791 72 HA2 GLY 16 HA2 GLY 16 -23.158 3.090 0.458 73 HA3 GLY 16 HA1 GLY 16 -22.170 1.648 0.504 74 H HIS 17 HN HIS 17 -19.740 2.844 -0.422 75 HA HIS 17 HA HIS 17 -18.712 3.679 2.052 76 HB2 HIS 17 HB2 HIS 17 -17.539 3.966 -0.714 77 HB3 HIS 17 HB1 HIS 17 -16.678 4.368 0.759 78 HD1 HIS 17 HD1 HIS 17 -16.964 1.700 -1.565 79 HD2 HIS 17 HD2 HIS 17 -16.674 1.958 2.565 80 HE1 HIS 17 HE1 HIS 17 -16.112 -0.533 -0.789 81 H MET 18 HN MET 18 -19.160 5.604 -0.877 82 HA MET 18 HA MET 18 -20.048 7.898 0.559 83 HB2 MET 18 HB2 MET 18 -17.513 7.926 0.944 84 HB3 MET 18 HB1 MET 18 -17.354 8.055 -0.804 85 HG2 MET 18 HG2 MET 18 -18.514 10.152 -0.805 86 HG3 MET 18 HG1 MET 18 -18.773 10.042 0.938 87 HE1 MET 18 HE1 MET 18 -17.521 12.590 -0.409 88 HE2 MET 18 HE2 MET 18 -16.195 12.940 0.701 89 HE3 MET 18 HE3 MET 18 -17.757 12.408 1.327 90 H ALA 19 HN ALA 19 -21.179 9.113 -0.926 91 HA ALA 19 HA ALA 19 -21.333 8.037 -3.548 92 HB1 ALA 19 HB1 ALA 19 -22.759 10.429 -2.391 93 HB2 ALA 19 HB2 ALA 19 -23.354 8.771 -2.369 94 HB3 ALA 19 HB3 ALA 19 -23.155 9.618 -3.907 95 H ALA 20 HN ALA 20 -19.077 8.512 -3.825 96 HA ALA 20 HA ALA 20 -17.426 9.413 -4.998 97 HB1 ALA 20 HB1 ALA 20 -19.133 9.788 -6.708 98 HB2 ALA 20 HB2 ALA 20 -17.897 11.053 -6.732 99 HB3 ALA 20 HB3 ALA 20 -19.478 11.370 -6.012 100 HA PRO 21 HA PRO 21 -15.965 12.346 -1.838 101 HB2 PRO 21 HB2 PRO 21 -13.516 11.814 -3.480 102 HB3 PRO 21 HB1 PRO 21 -13.705 11.781 -1.705 103 HG2 PRO 21 HG2 PRO 21 -13.514 9.524 -2.986 104 HG3 PRO 21 HG1 PRO 21 -14.727 9.716 -1.702 105 HD2 PRO 21 HD2 PRO 21 -15.133 9.727 -4.664 106 HD3 PRO 21 HD1 PRO 21 -16.121 8.999 -3.376 107 H ALA 22 HN ALA 22 -15.230 12.335 -5.237 108 HA ALA 22 HA ALA 22 -15.620 15.224 -5.382 109 HB1 ALA 22 HB1 ALA 22 -13.986 13.341 -7.128 110 HB2 ALA 22 HB2 ALA 22 -13.344 14.638 -6.120 111 HB3 ALA 22 HB3 ALA 22 -14.321 15.024 -7.536 112 H ARG 23 HN ARG 23 -17.525 15.587 -6.482 113 HA ARG 23 HA ARG 23 -18.875 13.124 -7.182 114 HB2 ARG 23 HB2 ARG 23 -20.074 15.881 -6.920 115 HB3 ARG 23 HB1 ARG 23 -20.977 14.398 -7.198 116 HG2 ARG 23 HG2 ARG 23 -20.089 13.523 -5.030 117 HG3 ARG 23 HG1 ARG 23 -19.373 15.103 -4.736 118 HD2 ARG 23 HD2 ARG 23 -21.659 16.078 -4.978 119 HD3 ARG 23 HD1 ARG 23 -22.304 14.436 -5.025 120 HE ARG 23 HE ARG 23 -20.922 15.701 -2.752 121 HH11 ARG 23 HH11 ARG 23 -23.095 13.141 -3.888 122 HH12 ARG 23 HH12 ARG 23 -23.690 12.775 -2.330 123 HH21 ARG 23 HH21 ARG 23 -21.741 15.214 -0.681 124 HH22 ARG 23 HH22 ARG 23 -22.904 14.007 -0.442 125 H PHE 24 HN PHE 24 -17.382 15.709 -8.813 126 HA PHE 24 HA PHE 24 -18.401 14.549 -11.284 127 HB2 PHE 24 HB2 PHE 24 -17.899 17.506 -10.798 128 HB3 PHE 24 HB1 PHE 24 -18.277 16.759 -12.349 129 HD1 PHE 24 HD2 PHE 24 -20.499 15.935 -12.810 130 HD2 PHE 24 HD1 PHE 24 -19.584 17.888 -9.145 131 HE1 PHE 24 HE2 PHE 24 -22.893 16.252 -12.382 132 HE2 PHE 24 HE1 PHE 24 -21.975 18.215 -8.718 133 HZ PHE 24 HZ PHE 24 -23.631 17.398 -10.336 134 H CYS 25 HN CYS 25 -16.935 15.224 -13.072 135 HA CYS 25 HA CYS 25 -14.188 15.659 -12.231 136 HB2 CYS 25 HB2 CYS 25 -14.654 13.177 -12.706 137 HB3 CYS 25 HB1 CYS 25 -15.013 13.724 -14.357 138 H VAL 26 HN VAL 26 -13.084 16.790 -13.750 139 HA VAL 26 HA VAL 26 -14.754 18.183 -15.787 140 HB VAL 26 HB VAL 26 -12.154 19.209 -14.699 141 HG11 VAL 26 HG11 VAL 26 -13.014 20.262 -16.667 142 HG12 VAL 26 HG12 VAL 26 -13.079 21.371 -15.297 143 HG13 VAL 26 HG13 VAL 26 -14.550 20.578 -15.861 144 HG21 VAL 26 HG21 VAL 26 -13.384 20.564 -13.048 145 HG22 VAL 26 HG22 VAL 26 -13.461 18.834 -12.724 146 HG23 VAL 26 HG23 VAL 26 -14.852 19.659 -13.434 147 H TYR 27 HN TYR 27 -14.244 17.833 -17.813 148 HA TYR 27 HA TYR 27 -11.626 16.652 -18.401 149 HB2 TYR 27 HB2 TYR 27 -14.197 16.539 -19.982 150 HB3 TYR 27 HB1 TYR 27 -12.621 15.936 -20.524 151 HD1 TYR 27 HD2 TYR 27 -15.243 15.490 -17.926 152 HD2 TYR 27 HD1 TYR 27 -11.841 13.837 -19.852 153 HE1 TYR 27 HE2 TYR 27 -15.623 13.357 -16.774 154 HE2 TYR 27 HE1 TYR 27 -12.231 11.718 -18.707 155 HH TYR 27 HH TYR 27 -15.095 10.969 -17.131 156 H TYR 28 HN TYR 28 -10.357 17.421 -19.936 157 HA TYR 28 HA TYR 28 -11.079 19.973 -21.206 158 HB2 TYR 28 HB2 TYR 28 -8.379 19.364 -20.004 159 HB3 TYR 28 HB1 TYR 28 -8.899 20.861 -20.770 160 HD1 TYR 28 HD2 TYR 28 -9.168 18.749 -17.788 161 HD2 TYR 28 HD1 TYR 28 -10.074 22.523 -19.512 162 HE1 TYR 28 HE2 TYR 28 -9.703 19.623 -15.566 163 HE2 TYR 28 HE1 TYR 28 -10.606 23.413 -17.284 164 HH TYR 28 HH TYR 28 -9.780 21.689 -14.456 165 H ASP 29 HN ASP 29 -10.055 20.315 -23.123 166 HA ASP 29 HA ASP 29 -8.835 18.038 -24.498 167 HB2 ASP 29 HB2 ASP 29 -10.607 19.315 -25.685 168 HB3 ASP 29 HB1 ASP 29 -9.644 20.787 -25.491 169 H GLY 30 HN GLY 30 -6.713 17.927 -24.078 170 HA2 GLY 30 HA2 GLY 30 -4.588 18.879 -24.740 171 HA3 GLY 30 HA1 GLY 30 -5.154 20.429 -24.101 172 H HIS 31 HN HIS 31 -2.909 18.819 -23.380 173 HA HIS 31 HA HIS 31 -3.642 17.724 -20.761 174 HB2 HIS 31 HB2 HIS 31 -1.419 16.736 -20.685 175 HB3 HIS 31 HB1 HIS 31 -2.177 16.365 -22.238 176 HD1 HIS 31 HD1 HIS 31 -0.865 17.135 -24.355 177 HD2 HIS 31 HD2 HIS 31 0.696 18.578 -20.783 178 HE1 HIS 31 HE1 HIS 31 1.296 18.281 -24.940 179 H LEU 32 HN LEU 32 -2.401 20.549 -22.096 180 HA LEU 32 HA LEU 32 -0.836 21.200 -19.730 181 HB2 LEU 32 HB2 LEU 32 0.254 21.321 -21.933 182 HB3 LEU 32 HB1 LEU 32 -0.924 22.504 -22.446 183 HG LEU 32 HG LEU 32 -0.082 23.999 -20.611 184 HD11 LEU 32 HD11 LEU 32 2.132 23.519 -19.699 185 HD12 LEU 32 HD12 LEU 32 2.109 21.940 -20.483 186 HD13 LEU 32 HD13 LEU 32 0.950 22.307 -19.204 187 HD21 LEU 32 HD21 LEU 32 0.580 24.299 -22.938 188 HD22 LEU 32 HD22 LEU 32 1.909 23.161 -22.714 189 HD23 LEU 32 HD23 LEU 32 1.898 24.694 -21.840 190 HA PRO 33 HA PRO 33 -4.458 23.441 -18.204 191 HB2 PRO 33 HB2 PRO 33 -2.173 24.790 -16.824 192 HB3 PRO 33 HB1 PRO 33 -3.715 24.221 -16.153 193 HG2 PRO 33 HG2 PRO 33 -1.582 22.766 -15.760 194 HG3 PRO 33 HG1 PRO 33 -3.136 22.031 -16.224 195 HD2 PRO 33 HD2 PRO 33 -0.703 22.385 -17.919 196 HD3 PRO 33 HD1 PRO 33 -1.915 21.090 -17.890 197 H ALA 34 HN ALA 34 -1.544 25.177 -18.992 198 HA ALA 34 HA ALA 34 -2.668 27.727 -19.284 199 HB1 ALA 34 HB1 ALA 34 -0.628 28.378 -20.414 200 HB2 ALA 34 HB2 ALA 34 -0.200 26.684 -20.652 201 HB3 ALA 34 HB3 ALA 34 -0.274 27.357 -19.022 202 H THR 35 HN THR 35 -2.875 25.078 -21.531 203 HA THR 35 HA THR 35 -4.011 26.977 -23.446 204 HB THR 35 HB THR 35 -1.666 26.456 -24.068 205 HG1 THR 35 HG1 THR 35 -3.281 25.280 -26.047 206 HG21 THR 35 HG21 THR 35 -1.551 24.161 -23.315 207 HG22 THR 35 HG22 THR 35 -1.132 24.243 -25.028 208 HG23 THR 35 HG23 THR 35 -2.724 23.663 -24.531 209 H ARG 36 HN ARG 36 -4.838 24.618 -21.551 210 HA ARG 36 HA ARG 36 -6.022 22.783 -23.431 211 HB2 ARG 36 HB2 ARG 36 -6.717 21.509 -21.483 212 HB3 ARG 36 HB1 ARG 36 -5.084 22.053 -21.264 213 HG2 ARG 36 HG2 ARG 36 -5.811 23.885 -19.846 214 HG3 ARG 36 HG1 ARG 36 -7.480 23.362 -20.034 215 HD2 ARG 36 HD2 ARG 36 -6.977 21.256 -18.955 216 HD3 ARG 36 HD1 ARG 36 -5.275 21.694 -18.810 217 HE ARG 36 HE ARG 36 -6.826 23.710 -17.678 218 HH11 ARG 36 HH11 ARG 36 -5.676 20.429 -16.879 219 HH12 ARG 36 HH12 ARG 36 -6.068 20.599 -15.224 220 HH21 ARG 36 HH21 ARG 36 -7.338 23.841 -15.410 221 HH22 ARG 36 HH22 ARG 36 -7.041 22.494 -14.388 222 H VAL 37 HN VAL 37 -8.257 22.424 -23.649 223 HA VAL 37 HA VAL 37 -9.860 24.861 -23.242 224 HB VAL 37 HB VAL 37 -10.350 22.563 -25.162 225 HG11 VAL 37 HG11 VAL 37 -12.389 23.733 -24.557 226 HG12 VAL 37 HG12 VAL 37 -11.967 24.036 -26.241 227 HG13 VAL 37 HG13 VAL 37 -11.658 25.272 -25.018 228 HG21 VAL 37 HG21 VAL 37 -9.601 24.077 -26.951 229 HG22 VAL 37 HG22 VAL 37 -8.314 23.750 -25.789 230 HG23 VAL 37 HG23 VAL 37 -9.177 25.286 -25.739 231 H LEU 38 HN LEU 38 -11.642 24.729 -21.992 232 HA LEU 38 HA LEU 38 -12.116 22.437 -20.378 233 HB2 LEU 38 HB2 LEU 38 -12.464 24.782 -19.630 234 HB3 LEU 38 HB1 LEU 38 -13.729 24.979 -20.809 235 HG LEU 38 HG LEU 38 -14.472 24.765 -18.410 236 HD11 LEU 38 HD11 LEU 38 -16.360 23.284 -18.820 237 HD12 LEU 38 HD12 LEU 38 -15.575 22.695 -20.287 238 HD13 LEU 38 HD13 LEU 38 -16.075 24.383 -20.168 239 HD21 LEU 38 HD21 LEU 38 -14.549 22.557 -17.415 240 HD22 LEU 38 HD22 LEU 38 -12.886 23.076 -17.712 241 HD23 LEU 38 HD23 LEU 38 -13.657 21.907 -18.787 242 H LEU 39 HN LEU 39 -13.397 20.677 -20.883 243 HA LEU 39 HA LEU 39 -15.057 20.950 -23.266 244 HB2 LEU 39 HB2 LEU 39 -14.028 18.509 -21.853 245 HB3 LEU 39 HB1 LEU 39 -15.126 18.465 -23.215 246 HG LEU 39 HG LEU 39 -12.312 19.561 -23.267 247 HD11 LEU 39 HD11 LEU 39 -11.821 17.589 -24.639 248 HD12 LEU 39 HD12 LEU 39 -13.464 17.009 -24.372 249 HD13 LEU 39 HD13 LEU 39 -12.347 17.154 -23.013 250 HD21 LEU 39 HD21 LEU 39 -13.756 20.710 -24.870 251 HD22 LEU 39 HD22 LEU 39 -14.326 19.162 -25.484 252 HD23 LEU 39 HD23 LEU 39 -12.645 19.632 -25.713 253 H MET 40 HN MET 40 -15.346 19.208 -20.086 254 HA MET 40 HA MET 40 -17.884 20.252 -19.503 255 HB2 MET 40 HB2 MET 40 -19.328 18.331 -19.963 256 HB3 MET 40 HB1 MET 40 -18.691 19.039 -21.451 257 HG2 MET 40 HG2 MET 40 -17.128 17.246 -21.679 258 HG3 MET 40 HG1 MET 40 -17.592 16.615 -20.101 259 HE1 MET 40 HE1 MET 40 -20.385 16.620 -23.799 260 HE2 MET 40 HE2 MET 40 -18.728 17.230 -23.819 261 HE3 MET 40 HE3 MET 40 -19.969 18.075 -22.897 262 H TYR 41 HN TYR 41 -19.012 19.109 -17.922 263 HA TYR 41 HA TYR 41 -17.182 17.874 -15.997 264 HB2 TYR 41 HB2 TYR 41 -19.792 19.371 -15.633 265 HB3 TYR 41 HB1 TYR 41 -18.873 18.608 -14.329 266 HD1 TYR 41 HD2 TYR 41 -18.612 21.234 -16.979 267 HD2 TYR 41 HD1 TYR 41 -17.246 19.847 -13.201 268 HE1 TYR 41 HE2 TYR 41 -17.347 23.310 -16.686 269 HE2 TYR 41 HE1 TYR 41 -15.978 21.929 -12.899 270 HH TYR 41 HH TYR 41 -16.472 24.639 -14.809 271 H VAL 42 HN VAL 42 -17.629 15.860 -15.321 272 HA VAL 42 HA VAL 42 -20.160 14.634 -16.195 273 HB VAL 42 HB VAL 42 -17.433 13.322 -16.133 274 HG11 VAL 42 HG11 VAL 42 -18.520 11.357 -17.143 275 HG12 VAL 42 HG12 VAL 42 -20.085 12.145 -16.953 276 HG13 VAL 42 HG13 VAL 42 -19.138 11.710 -15.529 277 HG21 VAL 42 HG21 VAL 42 -17.673 14.823 -18.029 278 HG22 VAL 42 HG22 VAL 42 -19.197 14.051 -18.467 279 HG23 VAL 42 HG23 VAL 42 -17.688 13.146 -18.573 280 H ARG 43 HN ARG 43 -21.209 13.403 -14.714 281 HA ARG 43 HA ARG 43 -20.552 13.604 -11.972 282 HB2 ARG 43 HB2 ARG 43 -22.847 13.557 -12.770 283 HB3 ARG 43 HB1 ARG 43 -22.600 11.956 -13.448 284 HG2 ARG 43 HG2 ARG 43 -23.836 11.732 -11.434 285 HG3 ARG 43 HG1 ARG 43 -22.209 11.117 -11.150 286 HD2 ARG 43 HD2 ARG 43 -21.605 13.268 -10.120 287 HD3 ARG 43 HD1 ARG 43 -23.265 13.821 -10.354 288 HE ARG 43 HE ARG 43 -22.726 11.385 -8.844 289 HH11 ARG 43 HH11 ARG 43 -24.040 14.701 -8.851 290 HH12 ARG 43 HH12 ARG 43 -24.669 14.579 -7.283 291 HH21 ARG 43 HH21 ARG 43 -23.612 11.241 -6.732 292 HH22 ARG 43 HH22 ARG 43 -24.477 12.553 -6.067 293 H ILE 44 HN ILE 44 -19.219 12.348 -10.878 294 HA ILE 44 HA ILE 44 -18.099 10.001 -11.977 295 HB ILE 44 HB ILE 44 -17.877 11.128 -9.158 296 HG12 ILE 44 HG12 ILE 44 -15.964 11.019 -11.506 297 HG13 ILE 44 HG11 ILE 44 -16.774 12.451 -10.890 298 HG21 ILE 44 HG21 ILE 44 -16.074 9.500 -8.752 299 HG22 ILE 44 HG22 ILE 44 -16.406 8.744 -10.308 300 HG23 ILE 44 HG23 ILE 44 -17.620 8.691 -9.028 301 HD11 ILE 44 HD11 ILE 44 -14.442 12.410 -10.239 302 HD12 ILE 44 HD12 ILE 44 -14.656 10.836 -9.477 303 HD13 ILE 44 HD13 ILE 44 -15.473 12.255 -8.818 304 H GLY 45 HN GLY 45 -18.682 8.060 -11.954 305 HA2 GLY 45 HA2 GLY 45 -19.758 6.179 -10.833 306 HA3 GLY 45 HA1 GLY 45 -21.074 7.293 -10.434 307 H THR 46 HN THR 46 -20.542 8.579 -13.171 308 HA THR 46 HA THR 46 -22.034 6.562 -14.717 309 HB THR 46 HB THR 46 -23.279 8.454 -15.758 310 HG1 THR 46 HG1 THR 46 -21.597 9.924 -14.179 311 HG21 THR 46 HG21 THR 46 -24.327 7.113 -13.994 312 HG22 THR 46 HG22 THR 46 -24.836 8.799 -13.881 313 HG23 THR 46 HG23 THR 46 -23.620 8.171 -12.769 314 H THR 47 HN THR 47 -22.060 6.910 -16.956 315 HA THR 47 HA THR 47 -19.464 7.759 -17.966 316 HB THR 47 HB THR 47 -20.149 6.595 -19.999 317 HG1 THR 47 HG1 THR 47 -22.116 6.147 -20.261 318 HG21 THR 47 HG21 THR 47 -20.076 4.268 -19.139 319 HG22 THR 47 HG22 THR 47 -20.363 4.888 -17.512 320 HG23 THR 47 HG23 THR 47 -18.884 5.313 -18.373 321 H ALA 48 HN ALA 48 -19.439 8.951 -19.848 322 HA ALA 48 HA ALA 48 -21.843 10.353 -20.719 323 HB1 ALA 48 HB1 ALA 48 -21.076 11.761 -18.861 324 HB2 ALA 48 HB2 ALA 48 -20.891 12.580 -20.415 325 HB3 ALA 48 HB3 ALA 48 -19.486 11.878 -19.615 326 H THR 49 HN THR 49 -21.582 11.396 -22.676 327 HA THR 49 HA THR 49 -19.368 10.318 -24.204 328 HB THR 49 HB THR 49 -21.765 11.839 -25.260 329 HG1 THR 49 HG1 THR 49 -21.462 9.095 -24.578 330 HG21 THR 49 HG21 THR 49 -19.871 11.540 -26.800 331 HG22 THR 49 HG22 THR 49 -21.268 10.591 -27.317 332 HG23 THR 49 HG23 THR 49 -19.913 9.802 -26.512 333 H ILE 50 HN ILE 50 -17.657 11.595 -24.212 334 HA ILE 50 HA ILE 50 -17.848 14.530 -24.048 335 HB ILE 50 HB ILE 50 -15.378 12.853 -24.480 336 HG12 ILE 50 HG12 ILE 50 -16.493 11.933 -22.487 337 HG13 ILE 50 HG11 ILE 50 -14.972 12.734 -22.073 338 HG21 ILE 50 HG21 ILE 50 -14.214 14.707 -23.356 339 HG22 ILE 50 HG22 ILE 50 -15.755 15.548 -23.196 340 HG23 ILE 50 HG23 ILE 50 -15.092 15.222 -24.797 341 HD11 ILE 50 HD11 ILE 50 -16.252 14.667 -21.284 342 HD12 ILE 50 HD12 ILE 50 -16.692 13.183 -20.440 343 HD13 ILE 50 HD13 ILE 50 -17.752 13.830 -21.693 344 H THR 51 HN THR 51 -17.210 15.709 -25.838 345 HA THR 51 HA THR 51 -16.585 14.170 -28.239 346 HB THR 51 HB THR 51 -18.564 16.467 -28.219 347 HG1 THR 51 HG1 THR 51 -18.776 13.903 -27.569 348 HG21 THR 51 HG21 THR 51 -17.375 16.178 -30.358 349 HG22 THR 51 HG22 THR 51 -19.056 15.653 -30.515 350 HG23 THR 51 HG23 THR 51 -17.773 14.461 -30.349 351 H ALA 52 HN ALA 52 -14.641 14.733 -28.752 352 HA ALA 52 HA ALA 52 -13.931 17.550 -28.816 353 HB1 ALA 52 HB1 ALA 52 -11.774 17.045 -27.715 354 HB2 ALA 52 HB2 ALA 52 -12.335 15.397 -27.422 355 HB3 ALA 52 HB3 ALA 52 -13.154 16.754 -26.654 356 H ARG 53 HN ARG 53 -12.821 18.009 -30.546 357 HA ARG 53 HA ARG 53 -11.757 17.914 -32.504 358 HB2 ARG 53 HB2 ARG 53 -10.569 15.378 -31.399 359 HB3 ARG 53 HB1 ARG 53 -9.954 16.283 -32.798 360 HG2 ARG 53 HG2 ARG 53 -9.531 18.202 -31.420 361 HG3 ARG 53 HG1 ARG 53 -10.254 17.377 -30.029 362 HD2 ARG 53 HD2 ARG 53 -8.553 15.685 -30.252 363 HD3 ARG 53 HD1 ARG 53 -7.726 16.680 -31.473 364 HE ARG 53 HE ARG 53 -8.378 17.978 -28.955 365 HH11 ARG 53 HH11 ARG 53 -5.806 16.329 -30.771 366 HH12 ARG 53 HH12 ARG 53 -4.564 17.084 -29.870 367 HH21 ARG 53 HH21 ARG 53 -6.687 18.975 -27.817 368 HH22 ARG 53 HH22 ARG 53 -5.042 18.586 -28.168 369 H GLY 54 HN GLY 54 -14.295 16.696 -32.169 370 HA2 GLY 54 HA2 GLY 54 -15.839 15.867 -33.703 371 HA3 GLY 54 HA1 GLY 54 -14.489 15.338 -34.720 372 H HIS 55 HN HIS 55 -13.848 14.217 -31.686 373 HA HIS 55 HA HIS 55 -14.957 11.620 -32.417 374 HB2 HIS 55 HB2 HIS 55 -12.610 12.378 -30.684 375 HB3 HIS 55 HB1 HIS 55 -13.261 10.737 -30.789 376 HD1 HIS 55 HD1 HIS 55 -12.036 9.312 -32.424 377 HD2 HIS 55 HD2 HIS 55 -11.816 13.343 -33.398 378 HE1 HIS 55 HE1 HIS 55 -10.561 9.466 -34.431 379 H GLU 56 HN GLU 56 -16.200 10.523 -31.065 380 HA GLU 56 HA GLU 56 -17.104 11.894 -28.668 381 HB2 GLU 56 HB2 GLU 56 -18.366 9.686 -30.285 382 HB3 GLU 56 HB1 GLU 56 -19.070 10.462 -28.859 383 HG2 GLU 56 HG2 GLU 56 -19.124 12.581 -30.049 384 HG3 GLU 56 HG1 GLU 56 -18.426 11.805 -31.470 385 H PHE 57 HN PHE 57 -16.418 11.118 -26.843 386 HA PHE 57 HA PHE 57 -15.331 8.396 -26.702 387 HB2 PHE 57 HB2 PHE 57 -14.713 10.819 -25.024 388 HB3 PHE 57 HB1 PHE 57 -13.933 9.241 -24.927 389 HD1 PHE 57 HD1 PHE 57 -12.557 8.488 -26.943 390 HD2 PHE 57 HD2 PHE 57 -13.935 12.478 -26.425 391 HE1 PHE 57 HE1 PHE 57 -10.856 9.280 -28.532 392 HE2 PHE 57 HE2 PHE 57 -12.250 13.273 -28.011 393 HZ PHE 57 HZ PHE 57 -10.705 11.679 -29.070 394 H GLU 58 HN GLU 58 -16.776 7.108 -25.639 395 HA GLU 58 HA GLU 58 -18.491 8.280 -23.590 396 HB2 GLU 58 HB2 GLU 58 -19.308 6.462 -25.132 397 HB3 GLU 58 HB1 GLU 58 -18.144 5.362 -24.382 398 HG2 GLU 58 HG2 GLU 58 -20.289 4.901 -23.437 399 HG3 GLU 58 HG1 GLU 58 -19.351 5.739 -22.208 400 H VAL 59 HN VAL 59 -17.477 8.706 -21.789 401 HA VAL 59 HA VAL 59 -15.259 6.972 -20.942 402 HB VAL 59 HB VAL 59 -14.361 8.869 -19.699 403 HG11 VAL 59 HG11 VAL 59 -14.945 9.522 -22.575 404 HG12 VAL 59 HG12 VAL 59 -13.515 8.708 -21.905 405 HG13 VAL 59 HG13 VAL 59 -13.808 10.406 -21.566 406 HG21 VAL 59 HG21 VAL 59 -15.305 11.141 -19.907 407 HG22 VAL 59 HG22 VAL 59 -16.420 10.031 -19.108 408 HG23 VAL 59 HG23 VAL 59 -16.673 10.469 -20.796 409 H GLU 60 HN GLU 60 -15.271 6.247 -18.849 410 HA GLU 60 HA GLU 60 -17.723 6.740 -17.345 411 HB2 GLU 60 HB2 GLU 60 -17.033 4.366 -17.805 412 HB3 GLU 60 HB1 GLU 60 -15.579 4.668 -16.845 413 HG2 GLU 60 HG2 GLU 60 -17.012 5.175 -14.901 414 HG3 GLU 60 HG1 GLU 60 -18.426 4.790 -15.872 415 H ALA 61 HN ALA 61 -17.560 8.289 -15.876 416 HA ALA 61 HA ALA 61 -14.963 8.990 -14.794 417 HB1 ALA 61 HB1 ALA 61 -17.739 10.009 -14.082 418 HB2 ALA 61 HB2 ALA 61 -16.612 10.786 -15.193 419 HB3 ALA 61 HB3 ALA 61 -16.224 10.685 -13.478 420 H LYS 62 HN LYS 62 -14.325 7.171 -13.777 421 HA LYS 62 HA LYS 62 -16.201 5.838 -11.995 422 HB2 LYS 62 HB2 LYS 62 -14.746 3.905 -12.248 423 HB3 LYS 62 HB1 LYS 62 -15.401 4.493 -13.767 424 HG2 LYS 62 HG2 LYS 62 -13.268 5.683 -14.144 425 HG3 LYS 62 HG1 LYS 62 -12.616 4.888 -12.706 426 HD2 LYS 62 HD2 LYS 62 -13.559 3.550 -15.255 427 HD3 LYS 62 HD1 LYS 62 -11.894 3.715 -14.710 428 HE2 LYS 62 HE2 LYS 62 -12.246 1.597 -13.956 429 HE3 LYS 62 HE1 LYS 62 -12.946 2.452 -12.589 430 HZ1 LYS 62 HZ1 LYS 62 -15.174 2.214 -13.821 431 HZ2 LYS 62 HZ2 LYS 62 -14.485 0.819 -13.200 432 HZ3 LYS 62 HZ3 LYS 62 -14.351 1.145 -14.837 433 H ASP 63 HN ASP 63 -13.253 7.742 -11.651 434 HA ASP 63 HA ASP 63 -12.910 6.485 -9.067 435 HB2 ASP 63 HB2 ASP 63 -11.297 5.531 -10.691 436 HB3 ASP 63 HB1 ASP 63 -10.717 7.158 -11.024 437 H GLN 64 HN GLN 64 -12.079 7.858 -7.530 438 HA GLN 64 HA GLN 64 -12.849 10.580 -7.726 439 HB2 GLN 64 HB2 GLN 64 -11.867 10.793 -5.456 440 HB3 GLN 64 HB1 GLN 64 -13.010 9.467 -5.620 441 HG2 GLN 64 HG2 GLN 64 -11.191 7.867 -5.757 442 HG3 GLN 64 HG1 GLN 64 -10.019 9.173 -5.717 443 HE21 GLN 64 HE21 GLN 64 -11.302 10.724 -3.696 444 HE22 GLN 64 HE22 GLN 64 -11.115 9.858 -2.221 445 H ASN 65 HN ASN 65 -10.015 9.079 -8.747 446 HA ASN 65 HA ASN 65 -8.478 11.589 -8.481 447 HB2 ASN 65 HB2 ASN 65 -7.342 9.522 -7.646 448 HB3 ASN 65 HB1 ASN 65 -7.529 8.791 -9.247 449 HD21 ASN 65 HD21 ASN 65 -5.762 11.101 -7.330 450 HD22 ASN 65 HD22 ASN 65 -4.506 11.369 -8.472 451 H CYS 66 HN CYS 66 -10.636 10.330 -10.357 452 HA CYS 66 HA CYS 66 -11.312 10.382 -12.409 453 HB2 CYS 66 HB2 CYS 66 -9.481 12.743 -12.518 454 HB3 CYS 66 HB1 CYS 66 -10.421 12.228 -13.927 455 H LYS 67 HN LYS 67 -10.355 8.310 -12.493 456 HA LYS 67 HA LYS 67 -8.343 8.202 -14.553 457 HB2 LYS 67 HB2 LYS 67 -9.320 6.408 -12.531 458 HB3 LYS 67 HB1 LYS 67 -8.930 5.579 -14.064 459 HG2 LYS 67 HG2 LYS 67 -7.175 5.573 -12.211 460 HG3 LYS 67 HG1 LYS 67 -6.659 6.174 -13.789 461 HD2 LYS 67 HD2 LYS 67 -7.694 8.237 -12.002 462 HD3 LYS 67 HD1 LYS 67 -6.194 7.468 -11.430 463 HE2 LYS 67 HE2 LYS 67 -5.063 8.031 -13.421 464 HE3 LYS 67 HE1 LYS 67 -6.604 8.377 -14.213 465 HZ1 LYS 67 HZ1 LYS 67 -5.478 9.998 -11.976 466 HZ2 LYS 67 HZ2 LYS 67 -6.780 10.429 -12.973 467 HZ3 LYS 67 HZ3 LYS 67 -5.233 10.378 -13.589 468 H VAL 68 HN VAL 68 -9.213 8.964 -16.098 469 HA VAL 68 HA VAL 68 -11.814 8.347 -16.976 470 HB VAL 68 HB VAL 68 -11.038 10.511 -17.528 471 HG11 VAL 68 HG11 VAL 68 -9.062 10.980 -18.927 472 HG12 VAL 68 HG12 VAL 68 -8.663 9.262 -18.897 473 HG13 VAL 68 HG13 VAL 68 -8.650 10.198 -17.401 474 HG21 VAL 68 HG21 VAL 68 -11.155 10.559 -20.034 475 HG22 VAL 68 HG22 VAL 68 -12.427 9.624 -19.253 476 HG23 VAL 68 HG23 VAL 68 -11.072 8.794 -20.006 477 H ILE 69 HN ILE 69 -12.239 6.393 -17.462 478 HA ILE 69 HA ILE 69 -10.645 5.135 -19.533 479 HB ILE 69 HB ILE 69 -11.929 3.774 -17.126 480 HG12 ILE 69 HG12 ILE 69 -9.035 3.988 -17.974 481 HG13 ILE 69 HG11 ILE 69 -9.795 4.976 -16.741 482 HG21 ILE 69 HG21 ILE 69 -10.997 1.690 -18.026 483 HG22 ILE 69 HG22 ILE 69 -10.431 2.562 -19.455 484 HG23 ILE 69 HG23 ILE 69 -12.158 2.399 -19.152 485 HD11 ILE 69 HD11 ILE 69 -9.444 1.992 -16.660 486 HD12 ILE 69 HD12 ILE 69 -10.164 2.975 -15.381 487 HD13 ILE 69 HD13 ILE 69 -8.464 3.170 -15.792 488 H LEU 70 HN LEU 70 -11.731 4.336 -21.130 489 HA LEU 70 HA LEU 70 -14.490 5.192 -21.321 490 HB2 LEU 70 HB2 LEU 70 -12.461 4.395 -23.342 491 HB3 LEU 70 HB1 LEU 70 -14.125 4.715 -23.782 492 HG LEU 70 HG LEU 70 -13.769 7.072 -22.949 493 HD11 LEU 70 HD11 LEU 70 -10.863 6.284 -22.938 494 HD12 LEU 70 HD12 LEU 70 -11.828 6.731 -21.530 495 HD13 LEU 70 HD13 LEU 70 -11.491 7.925 -22.785 496 HD21 LEU 70 HD21 LEU 70 -13.769 6.613 -25.291 497 HD22 LEU 70 HD22 LEU 70 -12.085 6.095 -25.229 498 HD23 LEU 70 HD23 LEU 70 -12.495 7.781 -24.927 499 H THR 71 HN THR 71 -15.913 3.879 -22.506 500 HA THR 71 HA THR 71 -16.281 1.420 -21.193 501 HB THR 71 HB THR 71 -18.274 1.251 -22.702 502 HG1 THR 71 HG1 THR 71 -18.451 2.591 -24.332 503 HG21 THR 71 HG21 THR 71 -17.850 3.940 -21.391 504 HG22 THR 71 HG22 THR 71 -18.347 2.475 -20.553 505 HG23 THR 71 HG23 THR 71 -19.411 3.203 -21.756 506 H ASN 72 HN ASN 72 -14.849 2.272 -24.183 507 HA ASN 72 HA ASN 72 -15.047 -0.406 -25.295 508 HB2 ASN 72 HB2 ASN 72 -13.643 2.040 -26.375 509 HB3 ASN 72 HB1 ASN 72 -13.707 0.475 -27.201 510 HD21 ASN 72 HD21 ASN 72 -15.375 3.382 -26.461 511 HD22 ASN 72 HD22 ASN 72 -16.822 3.020 -27.325 512 H GLY 73 HN GLY 73 -13.177 0.825 -22.949 513 HA2 GLY 73 HA2 GLY 73 -11.547 -0.534 -21.944 514 HA3 GLY 73 HA1 GLY 73 -11.148 -1.178 -23.541 515 H LYS 74 HN LYS 74 -11.557 2.099 -23.781 516 HA LYS 74 HA LYS 74 -8.740 2.366 -24.163 517 HB2 LYS 74 HB2 LYS 74 -10.949 4.403 -24.532 518 HB3 LYS 74 HB1 LYS 74 -9.267 4.650 -24.943 519 HG2 LYS 74 HG2 LYS 74 -11.078 2.595 -26.195 520 HG3 LYS 74 HG1 LYS 74 -10.668 4.158 -26.888 521 HD2 LYS 74 HD2 LYS 74 -8.268 3.478 -26.852 522 HD3 LYS 74 HD1 LYS 74 -8.784 1.881 -26.310 523 HE2 LYS 74 HE2 LYS 74 -8.427 1.856 -28.710 524 HE3 LYS 74 HE1 LYS 74 -10.143 1.652 -28.353 525 HZ1 LYS 74 HZ1 LYS 74 -8.858 4.207 -29.211 526 HZ2 LYS 74 HZ2 LYS 74 -10.492 4.008 -28.889 527 HZ3 LYS 74 HZ3 LYS 74 -9.792 3.195 -30.179 528 H GLN 75 HN GLN 75 -7.418 3.494 -22.903 529 HA GLN 75 HA GLN 75 -8.463 4.375 -20.322 530 HB2 GLN 75 HB2 GLN 75 -5.651 3.690 -21.198 531 HB3 GLN 75 HB1 GLN 75 -6.065 4.271 -19.589 532 HG2 GLN 75 HG2 GLN 75 -7.476 2.340 -19.211 533 HG3 GLN 75 HG1 GLN 75 -7.172 1.772 -20.849 534 HE21 GLN 75 HE21 GLN 75 -5.848 2.169 -17.658 535 HE22 GLN 75 HE22 GLN 75 -4.497 1.131 -17.905 536 H ALA 76 HN ALA 76 -8.618 5.768 -22.779 537 HA ALA 76 HA ALA 76 -8.927 7.880 -23.416 538 HB1 ALA 76 HB1 ALA 76 -8.627 9.749 -21.926 539 HB2 ALA 76 HB2 ALA 76 -7.671 8.747 -20.837 540 HB3 ALA 76 HB3 ALA 76 -9.380 8.392 -21.084 541 HA PRO 77 HA PRO 77 -5.244 9.052 -25.596 542 HB2 PRO 77 HB2 PRO 77 -6.710 11.623 -25.826 543 HB3 PRO 77 HB1 PRO 77 -6.020 10.602 -27.113 544 HG2 PRO 77 HG2 PRO 77 -8.616 10.716 -26.780 545 HG3 PRO 77 HG1 PRO 77 -7.808 9.167 -27.142 546 HD2 PRO 77 HD2 PRO 77 -8.883 10.160 -24.549 547 HD3 PRO 77 HD1 PRO 77 -8.907 8.526 -25.269 548 H ASP 78 HN ASP 78 -3.466 10.247 -25.110 549 HA ASP 78 HA ASP 78 -2.978 11.127 -22.515 550 HB2 ASP 78 HB2 ASP 78 -1.167 10.433 -23.918 551 HB3 ASP 78 HB1 ASP 78 -1.508 11.701 -25.085 552 H TRP 79 HN TRP 79 -4.172 12.924 -25.213 553 HA TRP 79 HA TRP 79 -3.672 15.487 -24.014 554 HB2 TRP 79 HB2 TRP 79 -4.861 16.381 -26.037 555 HB3 TRP 79 HB1 TRP 79 -3.499 15.322 -26.403 556 HD1 TRP 79 HD1 TRP 79 -3.984 13.206 -27.700 557 HE1 TRP 79 HE1 TRP 79 -6.066 12.273 -28.947 558 HE3 TRP 79 HE3 TRP 79 -7.506 16.342 -25.810 559 HZ2 TRP 79 HZ2 TRP 79 -8.815 12.825 -29.081 560 HZ3 TRP 79 HZ3 TRP 79 -9.836 16.087 -26.532 561 HH2 TRP 79 HH2 TRP 79 -10.476 14.370 -28.140 562 H LEU 80 HN LEU 80 -6.091 13.175 -23.592 563 HA LEU 80 HA LEU 80 -8.146 15.155 -23.063 564 HB2 LEU 80 HB2 LEU 80 -8.781 13.026 -24.133 565 HB3 LEU 80 HB1 LEU 80 -8.152 12.142 -22.743 566 HG LEU 80 HG LEU 80 -9.906 13.160 -21.345 567 HD11 LEU 80 HD11 LEU 80 -10.909 14.321 -23.940 568 HD12 LEU 80 HD12 LEU 80 -10.278 15.229 -22.561 569 HD13 LEU 80 HD13 LEU 80 -11.788 14.332 -22.414 570 HD21 LEU 80 HD21 LEU 80 -10.293 10.984 -22.342 571 HD22 LEU 80 HD22 LEU 80 -10.927 11.740 -23.804 572 HD23 LEU 80 HD23 LEU 80 -11.796 11.899 -22.277 573 H ALA 81 HN ALA 81 -8.212 16.120 -21.133 574 HA ALA 81 HA ALA 81 -6.702 14.846 -18.967 575 HB1 ALA 81 HB1 ALA 81 -7.257 17.781 -19.389 576 HB2 ALA 81 HB2 ALA 81 -5.738 16.961 -19.742 577 HB3 ALA 81 HB3 ALA 81 -6.311 17.076 -18.077 578 H ALA 82 HN ALA 82 -7.571 14.740 -16.965 579 HA ALA 82 HA ALA 82 -10.309 15.674 -16.606 580 HB1 ALA 82 HB1 ALA 82 -10.947 13.519 -15.650 581 HB2 ALA 82 HB2 ALA 82 -9.340 12.881 -15.998 582 HB3 ALA 82 HB3 ALA 82 -10.417 13.329 -17.323 583 H GLU 83 HN GLU 83 -10.631 16.543 -14.664 584 HA GLU 83 HA GLU 83 -8.708 16.044 -12.494 585 HB2 GLU 83 HB2 GLU 83 -10.001 18.687 -13.173 586 HB3 GLU 83 HB1 GLU 83 -8.932 18.395 -11.814 587 HG2 GLU 83 HG2 GLU 83 -7.108 17.941 -13.388 588 HG3 GLU 83 HG1 GLU 83 -8.194 18.294 -14.730 589 HA PRO 84 HA PRO 84 -12.497 14.988 -10.358 590 HB2 PRO 84 HB2 PRO 84 -11.523 15.206 -7.803 591 HB3 PRO 84 HB1 PRO 84 -11.157 13.823 -8.854 592 HG2 PRO 84 HG2 PRO 84 -9.546 16.265 -8.338 593 HG3 PRO 84 HG1 PRO 84 -9.035 14.557 -8.331 594 HD2 PRO 84 HD2 PRO 84 -8.527 16.011 -10.454 595 HD3 PRO 84 HD1 PRO 84 -9.201 14.357 -10.587 596 H TYR 85 HN TYR 85 -14.222 16.086 -9.537 597 HA TYR 85 HA TYR 85 -13.812 18.834 -8.629 598 HB2 TYR 85 HB2 TYR 85 -14.537 18.666 -11.005 599 HB3 TYR 85 HB1 TYR 85 -15.972 17.795 -10.470 600 HD1 TYR 85 HD1 TYR 85 -14.300 21.036 -10.732 601 HD2 TYR 85 HD2 TYR 85 -17.814 19.043 -9.411 602 HE1 TYR 85 HE1 TYR 85 -15.474 23.190 -10.628 603 HE2 TYR 85 HE2 TYR 85 -18.995 21.190 -9.295 604 HH TYR 85 HH TYR 85 -18.418 23.560 -9.048
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